NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2603 | 1c6s | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT3 ALA 1 31.493 8.512 8.512 2 2H ALA 1 HT2 ALA 1 32.958 9.326 9.326 3 3H ALA 1 HT1 ALA 1 32.151 9.511 9.511 4 HA ALA 1 HA ALA 1 30.759 11.061 11.061 5 1HB ALA 1 HB2 ALA 1 33.151 11.589 11.589 6 2HB ALA 1 HB1 ALA 1 32.500 11.141 11.141 7 3HB ALA 1 HB3 ALA 1 31.794 12.487 12.487 8 H ASP 2 HN ASP 2 31.651 9.089 9.089 9 HA ASP 2 HA ASP 2 28.738 9.019 9.019 10 1HB ASP 2 HB2 ASP 2 31.074 9.277 9.277 11 2HB ASP 2 HB1 ASP 2 29.398 9.018 9.018 12 H LEU 3 HN LEU 3 31.799 7.313 7.313 13 HA LEU 3 HA LEU 3 30.945 4.967 4.967 14 1HB LEU 3 HB2 LEU 3 32.948 4.870 4.870 15 2HB LEU 3 HB1 LEU 3 32.931 3.949 3.949 16 HG LEU 3 HG LEU 3 33.009 6.755 6.755 17 1HD1 LEU 3 HD12 LEU 3 34.390 6.089 6.089 18 2HD1 LEU 3 HD11 LEU 3 35.592 6.394 6.394 19 3HD1 LEU 3 HD13 LEU 3 34.389 7.625 7.625 20 1HD2 LEU 3 HD21 LEU 3 33.963 4.405 4.405 21 2HD2 LEU 3 HD23 LEU 3 34.511 5.997 5.997 22 3HD2 LEU 3 HD22 LEU 3 35.437 5.098 5.098 23 H ALA 4 HN ALA 4 29.814 6.236 6.236 24 HA ALA 4 HA ALA 4 29.459 3.874 3.874 25 1HB ALA 4 HB2 ALA 4 28.801 6.545 6.545 26 2HB ALA 4 HB1 ALA 4 27.225 5.803 5.803 27 3HB ALA 4 HB3 ALA 4 28.244 5.246 5.246 28 H ASN 5 HN ASN 5 27.972 5.304 5.304 29 HA ASN 5 HA ASN 5 25.656 3.569 3.569 30 1HB ASN 5 HB2 ASN 5 26.914 5.725 5.725 31 2HB ASN 5 HB1 ASN 5 26.284 4.454 4.454 32 1HD2 ASN 5 HD22 ASN 5 23.482 6.841 6.841 33 2HD2 ASN 5 HD21 ASN 5 25.006 6.952 6.952 34 H GLY 6 HN GLY 6 28.987 3.570 3.570 35 1HA GLY 6 HA2 GLY 6 28.936 1.479 1.479 36 2HA GLY 6 HA1 GLY 6 30.308 1.814 1.814 37 H ALA 7 HN ALA 7 29.682 1.155 1.155 38 HA ALA 7 HA ALA 7 29.514 -1.654 -1.654 39 1HB ALA 7 HB2 ALA 7 29.546 0.552 0.552 40 2HB ALA 7 HB1 ALA 7 28.530 -0.783 -0.783 41 3HB ALA 7 HB3 ALA 7 30.224 -1.074 -1.074 42 H LYS 8 HN LYS 8 26.973 0.758 0.758 43 HA LYS 8 HA LYS 8 24.864 -0.883 -0.883 44 1HB LYS 8 HB2 LYS 8 24.240 1.353 1.353 45 2HB LYS 8 HB1 LYS 8 25.032 1.619 1.619 46 1HG LYS 8 HG2 LYS 8 22.706 -0.261 -0.261 47 2HG LYS 8 HG1 LYS 8 22.371 1.464 1.464 48 1HD LYS 8 HD2 LYS 8 23.868 0.072 0.072 49 2HD LYS 8 HD1 LYS 8 22.297 0.860 0.860 50 1HE LYS 8 HE2 LYS 8 24.081 2.775 2.775 51 2HE LYS 8 HE1 LYS 8 24.915 2.017 2.017 52 1HZ LYS 8 HZ3 LYS 8 22.921 2.424 2.424 53 2HZ LYS 8 HZ2 LYS 8 22.218 3.256 3.256 54 3HZ LYS 8 HZ1 LYS 8 23.624 3.859 3.859 55 H VAL 9 HN VAL 9 26.315 -0.471 -0.471 56 HA VAL 9 HA VAL 9 24.353 -2.259 -2.259 57 HB VAL 9 HB VAL 9 26.711 -0.635 -0.635 58 1HG1 VAL 9 HG11 VAL 9 26.653 -2.940 -2.940 59 2HG1 VAL 9 HG13 VAL 9 25.095 -2.450 -2.450 60 3HG1 VAL 9 HG12 VAL 9 26.551 -1.540 -1.540 61 1HG2 VAL 9 HG23 VAL 9 23.766 -0.545 -0.545 62 2HG2 VAL 9 HG22 VAL 9 24.932 0.773 0.773 63 3HG2 VAL 9 HG21 VAL 9 24.515 -0.180 -0.180 64 H PHE 10 HN PHE 10 27.879 -2.306 -2.306 65 HA PHE 10 HA PHE 10 28.264 -4.935 -4.935 66 1HB PHE 10 HB2 PHE 10 30.170 -3.452 -3.452 67 2HB PHE 10 HB1 PHE 10 29.803 -3.427 -3.427 68 HD1 PHE 10 HD1 PHE 10 29.818 -5.571 -5.571 69 HD2 PHE 10 HD2 PHE 10 31.453 -5.268 -5.268 70 HE1 PHE 10 HE1 PHE 10 31.049 -7.668 -7.668 71 HE2 PHE 10 HE2 PHE 10 32.682 -7.393 -7.393 72 HZ PHE 10 HZ PHE 10 32.489 -8.593 -8.593 73 H SER 11 HN SER 11 27.076 -3.741 -3.741 74 HA SER 11 HA SER 11 27.242 -6.402 -6.402 75 1HB SER 11 HB2 SER 11 26.663 -5.331 -5.331 76 2HB SER 11 HB1 SER 11 27.604 -4.101 -4.101 77 HG SER 11 HG SER 11 25.195 -3.840 -3.840 78 H GLY 12 HN GLY 12 25.307 -5.343 -5.343 79 1HA GLY 12 HA2 GLY 12 23.001 -6.833 -6.833 80 2HA GLY 12 HA1 GLY 12 22.708 -5.223 -5.223 81 H ASN 13 HN ASN 13 25.241 -6.591 -6.591 82 HA ASN 13 HA ASN 13 23.598 -8.157 -8.157 83 1HB ASN 13 HB2 ASN 13 25.072 -5.808 -5.808 84 2HB ASN 13 HB1 ASN 13 23.721 -6.718 -6.718 85 1HD2 ASN 13 HD22 ASN 13 22.981 -3.432 -3.432 86 2HD2 ASN 13 HD21 ASN 13 24.542 -3.872 -3.872 87 H CYS 14 HN CYS 14 26.681 -6.355 -6.355 88 HA CYS 14 HA CYS 14 28.172 -8.313 -8.313 89 1HB CYS 14 HB2 CYS 14 29.305 -6.418 -6.418 90 2HB CYS 14 HB1 CYS 14 30.096 -7.036 -7.036 91 H ALA 15 HN ALA 15 27.230 -8.046 -8.046 92 HA ALA 15 HA ALA 15 29.202 -9.706 -9.706 93 1HB ALA 15 HB2 ALA 15 26.295 -9.333 -9.333 94 2HB ALA 15 HB1 ALA 15 27.546 -10.019 -10.019 95 3HB ALA 15 HB3 ALA 15 27.641 -8.329 -8.329 96 H ALA 16 HN ALA 16 26.236 -10.501 -10.501 97 HA ALA 16 HA ALA 16 26.052 -13.239 -13.239 98 1HB ALA 16 HB1 ALA 16 24.572 -11.580 -11.580 99 2HB ALA 16 HB3 ALA 16 25.323 -12.625 -12.625 100 3HB ALA 16 HB2 ALA 16 24.350 -13.328 -13.328 101 H CYS 17 HN CYS 17 28.453 -11.681 -11.681 102 HA CYS 17 HA CYS 17 29.487 -14.341 -14.341 103 1HB CYS 17 HB2 CYS 17 28.418 -12.439 -12.439 104 2HB CYS 17 HB1 CYS 17 30.172 -12.324 -12.324 105 H HIS 18 HN HIS 18 30.148 -12.308 -12.308 106 HA HIS 18 HA HIS 18 33.048 -12.354 -12.354 107 1HB HIS 18 HB2 HIS 18 31.468 -9.768 -9.768 108 2HB HIS 18 HB1 HIS 18 33.196 -9.857 -9.857 109 HD1 HIS 18 HD1 HIS 18 34.796 -10.497 -10.497 110 HD2 HIS 18 HD2 HIS 18 30.866 -9.933 -9.933 111 HE1 HIS 18 HE1 HIS 18 34.848 -10.386 -10.386 112 H MET 19 HN MET 19 30.860 -10.424 -10.424 113 HA MET 19 HA MET 19 30.930 -10.063 -10.063 114 1HB MET 19 HB2 MET 19 30.520 -12.401 -12.401 115 2HB MET 19 HB1 MET 19 29.299 -11.716 -11.716 116 1HG MET 19 HG2 MET 19 30.154 -13.044 -13.044 117 2HG MET 19 HG1 MET 19 31.455 -13.675 -13.675 118 1HE MET 19 HE3 MET 19 31.435 -15.465 -15.465 119 2HE MET 19 HE2 MET 19 30.208 -16.729 -16.729 120 3HE MET 19 HE1 MET 19 30.984 -16.236 -16.236 121 H GLY 20 HN GLY 20 32.885 -9.364 -9.364 122 1HA GLY 20 HA2 GLY 20 34.698 -9.727 -9.727 123 2HA GLY 20 HA1 GLY 20 34.669 -11.442 -11.442 124 H GLY 21 HN GLY 21 34.638 -8.866 -8.866 125 1HA GLY 21 HA2 GLY 21 36.076 -8.570 -8.570 126 2HA GLY 21 HA1 GLY 21 37.302 -8.452 -8.452 127 H GLY 22 HN GLY 22 35.385 -11.327 -11.327 128 1HA GLY 22 HA2 GLY 22 37.858 -12.633 -12.633 129 2HA GLY 22 HA1 GLY 22 36.863 -13.431 -13.431 130 H ASN 23 HN ASN 23 37.346 -13.026 -13.026 131 HA ASN 23 HA ASN 23 34.864 -13.153 -13.153 132 1HB ASN 23 HB2 ASN 23 37.460 -13.712 -13.712 133 2HB ASN 23 HB1 ASN 23 36.634 -15.259 -15.259 134 1HD2 ASN 23 HD22 ASN 23 35.385 -12.020 -12.020 135 2HD2 ASN 23 HD21 ASN 23 36.216 -11.754 -11.754 136 H VAL 24 HN VAL 24 33.234 -14.699 -14.699 137 HA VAL 24 HA VAL 24 33.500 -17.082 -17.082 138 HB VAL 24 HB VAL 24 31.104 -15.585 -15.585 139 1HG1 VAL 24 HG11 VAL 24 31.410 -18.323 -18.323 140 2HG1 VAL 24 HG13 VAL 24 30.158 -17.365 -17.365 141 3HG1 VAL 24 HG12 VAL 24 30.101 -17.624 -17.624 142 1HG2 VAL 24 HG22 VAL 24 32.451 -14.663 -14.663 143 2HG2 VAL 24 HG21 VAL 24 30.771 -15.031 -15.031 144 3HG2 VAL 24 HG23 VAL 24 32.056 -16.135 -16.135 145 H VAL 25 HN VAL 25 33.786 -16.293 -16.293 146 HA VAL 25 HA VAL 25 32.628 -18.909 -18.909 147 HB VAL 25 HB VAL 25 33.060 -16.367 -16.367 148 1HG1 VAL 25 HG13 VAL 25 33.379 -18.624 -18.624 149 2HG1 VAL 25 HG12 VAL 25 31.662 -18.895 -18.895 150 3HG1 VAL 25 HG11 VAL 25 32.181 -17.532 -17.532 151 1HG2 VAL 25 HG21 VAL 25 31.096 -16.631 -16.631 152 2HG2 VAL 25 HG23 VAL 25 30.743 -16.037 -16.037 153 3HG2 VAL 25 HG22 VAL 25 30.423 -17.722 -17.722 154 H MET 26 HN MET 26 35.247 -16.578 -16.578 155 HA MET 26 HA MET 26 36.817 -18.746 -18.746 156 1HB MET 26 HB2 MET 26 36.977 -15.775 -15.775 157 2HB MET 26 HB1 MET 26 38.502 -16.651 -16.651 158 1HG MET 26 HG2 MET 26 36.174 -17.410 -17.410 159 2HG MET 26 HG1 MET 26 37.113 -15.972 -15.972 160 1HE MET 26 HE1 MET 26 37.029 -17.890 -17.890 161 2HE MET 26 HE3 MET 26 38.188 -16.554 -16.554 162 3HE MET 26 HE2 MET 26 38.717 -18.174 -18.174 163 H ALA 27 HN ALA 27 39.286 -18.631 -18.631 164 HA ALA 27 HA ALA 27 39.432 -18.594 -18.594 165 1HB ALA 27 HB1 ALA 27 40.048 -20.698 -20.698 166 2HB ALA 27 HB3 ALA 27 41.454 -20.300 -20.300 167 3HB ALA 27 HB2 ALA 27 39.945 -20.789 -20.789 168 H ASN 28 HN ASN 28 40.007 -16.289 -16.289 169 HA ASN 28 HA ASN 28 42.647 -15.688 -15.688 170 1HB ASN 28 HB2 ASN 28 43.457 -15.191 -15.191 171 2HB ASN 28 HB1 ASN 28 43.610 -16.829 -16.829 172 1HD2 ASN 28 HD22 ASN 28 41.255 -16.186 -16.186 173 2HD2 ASN 28 HD21 ASN 28 42.273 -14.980 -14.980 174 H LYS 29 HN LYS 29 40.616 -14.758 -14.758 175 HA LYS 29 HA LYS 29 40.989 -11.963 -11.963 176 1HB LYS 29 HB2 LYS 29 39.259 -13.745 -13.745 177 2HB LYS 29 HB1 LYS 29 38.315 -12.390 -12.390 178 1HG LYS 29 HG2 LYS 29 39.633 -10.804 -10.804 179 2HG LYS 29 HG1 LYS 29 40.969 -11.936 -11.936 180 1HD LYS 29 HD2 LYS 29 38.403 -12.789 -12.789 181 2HD LYS 29 HD1 LYS 29 39.139 -11.371 -11.371 182 1HE LYS 29 HE2 LYS 29 40.866 -12.575 -12.575 183 2HE LYS 29 HE1 LYS 29 41.035 -13.549 -13.549 184 1HZ LYS 29 HZ1 LYS 29 38.907 -14.668 -14.668 185 2HZ LYS 29 HZ3 LYS 29 39.129 -13.920 -13.920 186 3HZ LYS 29 HZ2 LYS 29 40.293 -15.013 -15.013 187 H THR 30 HN THR 30 40.847 -11.237 -11.237 188 HA THR 30 HA THR 30 38.249 -11.715 -11.715 189 HB THR 30 HB THR 30 40.514 -12.434 -12.434 190 HG1 THR 30 HG1 THR 30 39.436 -12.364 -12.364 191 1HG2 THR 30 HG21 THR 30 41.668 -10.292 -10.292 192 2HG2 THR 30 HG23 THR 30 40.589 -9.467 -9.467 193 3HG2 THR 30 HG22 THR 30 41.719 -10.683 -10.683 194 H LEU 31 HN LEU 31 38.307 -9.683 -9.683 195 HA LEU 31 HA LEU 31 38.001 -7.268 -7.268 196 1HB LEU 31 HB2 LEU 31 36.593 -8.312 -8.312 197 2HB LEU 31 HB1 LEU 31 36.700 -6.562 -6.562 198 HG LEU 31 HG LEU 31 34.746 -8.175 -8.175 199 1HD1 LEU 31 HD13 LEU 31 35.219 -5.526 -5.526 200 2HD1 LEU 31 HD12 LEU 31 35.404 -5.733 -5.733 201 3HD1 LEU 31 HD11 LEU 31 33.897 -6.204 -6.204 202 1HD2 LEU 31 HD21 LEU 31 36.459 -9.086 -9.086 203 2HD2 LEU 31 HD23 LEU 31 35.074 -8.307 -8.307 204 3HD2 LEU 31 HD22 LEU 31 36.608 -7.457 -7.457 205 H LYS 32 HN LYS 32 39.617 -8.547 -8.547 206 HA LYS 32 HA LYS 32 40.341 -6.286 -6.286 207 1HB LYS 32 HB2 LYS 32 41.875 -8.781 -8.781 208 2HB LYS 32 HB1 LYS 32 42.662 -7.491 -7.491 209 1HG LYS 32 HG2 LYS 32 41.490 -7.965 -7.965 210 2HG LYS 32 HG1 LYS 32 39.974 -8.115 -8.115 211 1HD LYS 32 HD2 LYS 32 40.433 -10.288 -10.288 212 2HD LYS 32 HD1 LYS 32 40.829 -10.374 -10.374 213 1HE LYS 32 HE2 LYS 32 43.224 -9.611 -9.611 214 2HE LYS 32 HE1 LYS 32 42.650 -10.376 -10.376 215 1HZ LYS 32 HZ2 LYS 32 42.171 -11.874 -11.874 216 2HZ LYS 32 HZ1 LYS 32 43.808 -11.691 -11.691 217 3HZ LYS 32 HZ3 LYS 32 42.733 -12.405 -12.405 218 H LYS 33 HN LYS 33 43.000 -7.475 -7.475 219 HA LYS 33 HA LYS 33 43.009 -5.321 -5.321 220 1HB LYS 33 HB2 LYS 33 43.416 -3.686 -3.686 221 2HB LYS 33 HB1 LYS 33 44.238 -4.795 -4.795 222 1HG LYS 33 HG2 LYS 33 46.183 -4.845 -4.845 223 2HG LYS 33 HG1 LYS 33 45.365 -3.611 -3.611 224 1HD LYS 33 HD2 LYS 33 46.784 -2.347 -2.347 225 2HD LYS 33 HD1 LYS 33 45.235 -2.274 -2.274 226 1HE LYS 33 HE2 LYS 33 45.901 -3.950 -3.950 227 2HE LYS 33 HE1 LYS 33 47.307 -4.395 -4.395 228 1HZ LYS 33 HZ3 LYS 33 48.157 -2.116 -2.116 229 2HZ LYS 33 HZ2 LYS 33 46.868 -1.847 -1.847 230 3HZ LYS 33 HZ1 LYS 33 48.031 -3.037 -3.037 231 H GLU 34 HN GLU 34 44.817 -7.765 -7.765 232 HA GLU 34 HA GLU 34 47.208 -7.583 -7.583 233 1HB GLU 34 HB2 GLU 34 46.186 -10.122 -10.122 234 2HB GLU 34 HB1 GLU 34 47.855 -9.597 -9.597 235 1HG GLU 34 HG2 GLU 34 46.409 -7.608 -7.608 236 2HG GLU 34 HG1 GLU 34 46.185 -9.191 -9.191 237 H ALA 35 HN ALA 35 44.501 -9.906 -9.906 238 HA ALA 35 HA ALA 35 45.555 -10.990 -10.990 239 1HB ALA 35 HB3 ALA 35 43.756 -11.890 -11.890 240 2HB ALA 35 HB2 ALA 35 42.697 -11.436 -11.436 241 3HB ALA 35 HB1 ALA 35 43.989 -12.608 -12.608 242 H LEU 36 HN LEU 36 42.700 -8.968 -8.968 243 HA LEU 36 HA LEU 36 41.905 -8.609 -8.609 244 1HB LEU 36 HB2 LEU 36 40.734 -6.567 -6.567 245 2HB LEU 36 HB1 LEU 36 40.426 -7.967 -7.967 246 HG LEU 36 HG LEU 36 42.764 -6.254 -6.254 247 1HD1 LEU 36 HD12 LEU 36 39.867 -5.480 -5.480 248 2HD1 LEU 36 HD11 LEU 36 41.225 -4.756 -4.756 249 3HD1 LEU 36 HD13 LEU 36 41.083 -4.559 -4.559 250 1HD2 LEU 36 HD23 LEU 36 41.104 -8.295 -8.295 251 2HD2 LEU 36 HD22 LEU 36 42.609 -7.614 -7.614 252 3HD2 LEU 36 HD21 LEU 36 41.069 -6.855 -6.855 253 H GLU 37 HN GLU 37 44.521 -7.249 -7.249 254 HA GLU 37 HA GLU 37 45.073 -5.396 -5.396 255 1HB GLU 37 HB2 GLU 37 44.847 -4.604 -4.604 256 2HB GLU 37 HB1 GLU 37 46.526 -5.146 -5.146 257 1HG GLU 37 HG2 GLU 37 45.853 -3.578 -3.578 258 2HG GLU 37 HG1 GLU 37 45.729 -2.671 -2.671 259 H GLN 38 HN GLN 38 45.916 -8.356 -8.356 260 HA GLN 38 HA GLN 38 48.766 -8.349 -8.349 261 1HB GLN 38 HB2 GLN 38 47.963 -10.271 -10.271 262 2HB GLN 38 HB1 GLN 38 46.579 -10.402 -10.402 263 1HG GLN 38 HG2 GLN 38 48.356 -12.160 -12.160 264 2HG GLN 38 HG1 GLN 38 47.958 -11.218 -11.218 265 1HE2 GLN 38 HE22 GLN 38 51.270 -9.628 -9.628 266 2HE2 GLN 38 HE21 GLN 38 49.789 -9.684 -9.684 267 H PHE 39 HN PHE 39 46.147 -9.136 -9.136 268 HA PHE 39 HA PHE 39 47.997 -9.334 -9.334 269 1HB PHE 39 HB2 PHE 39 45.624 -9.513 -9.513 270 2HB PHE 39 HB1 PHE 39 46.366 -10.873 -10.873 271 HD1 PHE 39 HD1 PHE 39 44.262 -7.913 -7.913 272 HD2 PHE 39 HD2 PHE 39 44.990 -12.130 -12.130 273 HE1 PHE 39 HE1 PHE 39 42.308 -8.118 -8.118 274 HE2 PHE 39 HE2 PHE 39 43.033 -12.329 -12.329 275 HZ PHE 39 HZ PHE 39 41.693 -10.322 -10.322 276 H GLY 40 HN GLY 40 45.693 -7.083 -7.083 277 1HA GLY 40 HA2 GLY 40 46.326 -4.682 -4.682 278 2HA GLY 40 HA1 GLY 40 46.501 -5.170 -5.170 279 H MET 41 HN MET 41 44.322 -4.054 -4.054 280 HA MET 41 HA MET 41 42.364 -3.019 -3.019 281 1HB MET 41 HB2 MET 41 40.567 -4.847 -4.847 282 2HB MET 41 HB1 MET 41 41.868 -5.028 -5.028 283 1HG MET 41 HG2 MET 41 42.958 -6.309 -6.309 284 2HG MET 41 HG1 MET 41 41.245 -6.639 -6.639 285 1HE MET 41 HE3 MET 41 39.856 -6.616 -6.616 286 2HE MET 41 HE2 MET 41 40.867 -6.310 -6.310 287 3HE MET 41 HE1 MET 41 40.112 -7.888 -7.888 288 H TYR 42 HN TYR 42 43.450 -3.033 -3.033 289 HA TYR 42 HA TYR 42 40.997 -3.423 -3.423 290 1HB TYR 42 HB2 TYR 42 42.909 -4.367 -4.367 291 2HB TYR 42 HB1 TYR 42 43.925 -3.002 -3.002 292 HD1 TYR 42 HD1 TYR 42 40.533 -2.863 -2.863 293 HD2 TYR 42 HD2 TYR 42 44.759 -2.275 -2.275 294 HE1 TYR 42 HE1 TYR 42 40.131 -1.793 -1.793 295 HE2 TYR 42 HE2 TYR 42 44.356 -1.202 -1.202 296 HH TYR 42 HH TYR 42 42.746 -1.003 -1.003 297 H SER 43 HN SER 43 41.372 -1.291 -1.291 298 HA SER 43 HA SER 43 41.421 1.146 1.146 299 1HB SER 43 HB2 SER 43 42.097 2.351 2.351 300 2HB SER 43 HB1 SER 43 42.845 0.782 0.782 301 HG SER 43 HG SER 43 41.536 1.813 1.813 302 H GLU 44 HN GLU 44 39.747 2.771 2.771 303 HA GLU 44 HA GLU 44 37.103 1.936 1.936 304 1HB GLU 44 HB2 GLU 44 38.496 4.439 4.439 305 2HB GLU 44 HB1 GLU 44 37.066 4.396 4.396 306 1HG GLU 44 HG2 GLU 44 36.149 3.305 3.305 307 2HG GLU 44 HG1 GLU 44 37.255 4.566 4.566 308 H ASP 45 HN ASP 45 38.580 3.357 3.357 309 HA ASP 45 HA ASP 45 36.499 2.656 2.656 310 1HB ASP 45 HB2 ASP 45 38.532 4.119 4.119 311 2HB ASP 45 HB1 ASP 45 39.365 2.611 2.611 312 H ALA 46 HN ALA 46 39.069 0.641 0.641 313 HA ALA 46 HA ALA 46 38.837 -1.498 -1.498 314 1HB ALA 46 HB1 ALA 46 40.746 -1.226 -1.226 315 2HB ALA 46 HB3 ALA 46 39.676 -1.661 -1.661 316 3HB ALA 46 HB2 ALA 46 40.036 -2.839 -2.839 317 H ILE 47 HN ILE 47 37.899 -1.831 -1.831 318 HA ILE 47 HA ILE 47 36.039 -3.914 -3.914 319 HB ILE 47 HB ILE 47 37.063 -3.364 -3.364 320 1HG1 ILE 47 HG12 ILE 47 34.037 -3.189 -3.189 321 2HG1 ILE 47 HG11 ILE 47 34.987 -4.672 -4.672 322 1HG2 ILE 47 HG23 ILE 47 36.128 -0.777 -0.777 323 2HG2 ILE 47 HG22 ILE 47 35.224 -1.308 -1.308 324 3HG2 ILE 47 HG21 ILE 47 36.986 -1.286 -1.286 325 1HD1 ILE 47 HD11 ILE 47 36.047 -3.790 -3.790 326 2HD1 ILE 47 HD13 ILE 47 34.883 -2.469 -2.469 327 3HD1 ILE 47 HD12 ILE 47 34.321 -4.124 -4.124 328 H ILE 48 HN ILE 48 35.760 -0.514 -0.514 329 HA ILE 48 HA ILE 48 32.919 -0.242 -0.242 330 HB ILE 48 HB ILE 48 35.074 1.347 1.347 331 1HG1 ILE 48 HG12 ILE 48 33.035 2.207 2.207 332 2HG1 ILE 48 HG11 ILE 48 34.555 1.432 1.432 333 1HG2 ILE 48 HG22 ILE 48 32.113 1.551 1.551 334 2HG2 ILE 48 HG21 ILE 48 33.072 3.028 3.028 335 3HG2 ILE 48 HG23 ILE 48 33.403 1.825 1.825 336 1HD1 ILE 48 HD12 ILE 48 35.414 3.349 3.349 337 2HD1 ILE 48 HD11 ILE 48 34.055 4.163 4.163 338 3HD1 ILE 48 HD13 ILE 48 35.389 3.548 3.548 339 H TYR 49 HN TYR 49 35.032 -1.224 -1.224 340 HA TYR 49 HA TYR 49 32.753 -1.513 -1.513 341 1HB TYR 49 HB2 TYR 49 34.941 -0.785 -0.785 342 2HB TYR 49 HB1 TYR 49 35.678 -2.274 -2.274 343 HD1 TYR 49 HD1 TYR 49 34.828 -4.499 -4.499 344 HD2 TYR 49 HD2 TYR 49 33.728 -0.743 -0.743 345 HE1 TYR 49 HE1 TYR 49 34.078 -5.679 -5.679 346 HE2 TYR 49 HE2 TYR 49 32.977 -1.920 -1.920 347 HH TYR 49 HH TYR 49 32.252 -5.009 -5.009 348 H GLN 50 HN GLN 50 34.455 -3.315 -3.315 349 HA GLN 50 HA GLN 50 33.556 -5.907 -5.907 350 1HB GLN 50 HB2 GLN 50 35.606 -6.327 -6.327 351 2HB GLN 50 HB1 GLN 50 35.484 -4.979 -4.979 352 1HG GLN 50 HG2 GLN 50 35.395 -6.769 -6.769 353 2HG GLN 50 HG1 GLN 50 33.678 -6.538 -6.538 354 1HE2 GLN 50 HE22 GLN 50 35.473 -9.566 -9.566 355 2HE2 GLN 50 HE21 GLN 50 36.299 -8.099 -8.099 356 H VAL 51 HN VAL 51 32.227 -3.377 -3.377 357 HA VAL 51 HA VAL 51 30.418 -5.070 -5.070 358 HB VAL 51 HB VAL 51 31.037 -2.108 -2.108 359 1HG1 VAL 51 HG11 VAL 51 28.990 -3.776 -3.776 360 2HG1 VAL 51 HG13 VAL 51 29.568 -2.236 -2.236 361 3HG1 VAL 51 HG12 VAL 51 28.732 -2.294 -2.294 362 1HG2 VAL 51 HG21 VAL 51 32.529 -4.083 -4.083 363 2HG2 VAL 51 HG23 VAL 51 32.316 -2.538 -2.538 364 3HG2 VAL 51 HG22 VAL 51 31.342 -3.930 -3.930 365 H GLN 52 HN GLN 52 30.503 -2.490 -2.490 366 HA GLN 52 HA GLN 52 27.647 -2.197 -2.197 367 1HB GLN 52 HB2 GLN 52 29.969 -1.030 -1.030 368 2HB GLN 52 HB1 GLN 52 28.924 -1.546 -1.546 369 1HG GLN 52 HG2 GLN 52 27.277 -0.048 -0.048 370 2HG GLN 52 HG1 GLN 52 27.575 -0.194 -0.194 371 1HE2 GLN 52 HE22 GLN 52 30.516 2.089 2.089 372 2HE2 GLN 52 HE21 GLN 52 30.292 0.481 0.481 373 H HIS 53 HN HIS 53 29.718 -4.683 -4.683 374 HA HIS 53 HA HIS 53 27.682 -5.939 -5.939 375 1HB HIS 53 HB2 HIS 53 29.975 -6.188 -6.188 376 2HB HIS 53 HB1 HIS 53 28.457 -5.408 -5.408 377 HD1 HIS 53 HD1 HIS 53 29.577 -3.632 -3.632 378 HD2 HIS 53 HD2 HIS 53 30.780 -3.505 -3.505 379 HE1 HIS 53 HE1 HIS 53 30.783 -1.433 -1.433 380 H GLY 54 HN GLY 54 29.295 -6.263 -6.263 381 1HA GLY 54 HA2 GLY 54 30.627 -7.919 -7.919 382 2HA GLY 54 HA1 GLY 54 29.660 -8.995 -8.995 383 H LYS 55 HN LYS 55 31.054 -10.312 -10.312 384 HA LYS 55 HA LYS 55 32.581 -9.941 -9.941 385 1HB LYS 55 HB2 LYS 55 33.926 -8.739 -8.739 386 2HB LYS 55 HB1 LYS 55 34.917 -9.998 -9.998 387 1HG LYS 55 HG2 LYS 55 35.055 -8.914 -8.914 388 2HG LYS 55 HG1 LYS 55 33.482 -8.135 -8.135 389 1HD LYS 55 HD2 LYS 55 34.379 -6.310 -6.310 390 2HD LYS 55 HD1 LYS 55 35.428 -7.281 -7.281 391 1HE LYS 55 HE2 LYS 55 36.632 -7.714 -7.714 392 2HE LYS 55 HE1 LYS 55 35.981 -6.101 -6.101 393 1HZ LYS 55 HZ1 LYS 55 37.044 -5.347 -5.347 394 2HZ LYS 55 HZ3 LYS 55 37.671 -6.898 -6.898 395 3HZ LYS 55 HZ2 LYS 55 38.191 -5.999 -5.999 396 H ASN 56 HN ASN 56 32.956 -11.933 -11.933 397 HA ASN 56 HA ASN 56 33.436 -14.216 -14.216 398 1HB ASN 56 HB2 ASN 56 34.466 -13.697 -13.697 399 2HB ASN 56 HB1 ASN 56 34.700 -15.188 -15.188 400 1HD2 ASN 56 HD22 ASN 56 36.907 -11.876 -11.876 401 2HD2 ASN 56 HD21 ASN 56 35.615 -11.756 -11.756 402 H ALA 57 HN ALA 57 32.706 -14.032 -14.032 403 HA ALA 57 HA ALA 57 30.110 -15.379 -15.379 404 1HB ALA 57 HB2 ALA 57 32.344 -16.236 -16.236 405 2HB ALA 57 HB1 ALA 57 30.723 -16.426 -16.426 406 3HB ALA 57 HB3 ALA 57 31.145 -17.207 -17.207 407 H MET 58 HN MET 58 31.204 -12.543 -12.543 408 HA MET 58 HA MET 58 29.560 -12.432 -12.432 409 1HB MET 58 HB2 MET 58 31.565 -11.291 -11.291 410 2HB MET 58 HB1 MET 58 31.537 -10.535 -10.535 411 1HG MET 58 HG2 MET 58 29.551 -9.194 -9.194 412 2HG MET 58 HG1 MET 58 29.682 -9.927 -9.927 413 1HE MET 58 HE2 MET 58 29.621 -7.537 -7.537 414 2HE MET 58 HE1 MET 58 30.812 -6.282 -6.282 415 3HE MET 58 HE3 MET 58 29.686 -6.803 -6.803 416 HA PRO 59 HA PRO 59 26.109 -10.836 -10.836 417 1HB PRO 59 HB2 PRO 59 24.755 -9.866 -9.866 418 2HB PRO 59 HB1 PRO 59 24.771 -11.569 -11.569 419 1HG PRO 59 HG2 PRO 59 26.217 -10.197 -10.197 420 2HG PRO 59 HG1 PRO 59 25.689 -11.880 -11.880 421 1HD PRO 59 HD2 PRO 59 28.310 -10.984 -10.984 422 2HD PRO 59 HD1 PRO 59 27.684 -12.549 -12.549 423 H ALA 60 HN ALA 60 26.243 -8.996 -8.996 424 HA ALA 60 HA ALA 60 27.468 -6.591 -6.591 425 1HB ALA 60 HB1 ALA 60 26.210 -7.217 -7.217 426 2HB ALA 60 HB3 ALA 60 24.702 -6.923 -6.923 427 3HB ALA 60 HB2 ALA 60 25.814 -5.590 -5.590 428 H PHE 61 HN PHE 61 26.489 -4.463 -4.463 429 HA PHE 61 HA PHE 61 24.259 -4.563 -4.563 430 1HB PHE 61 HB2 PHE 61 27.073 -3.805 -3.805 431 2HB PHE 61 HB1 PHE 61 25.694 -3.147 -3.147 432 HD1 PHE 61 HD1 PHE 61 24.089 -4.677 -4.677 433 HD2 PHE 61 HD2 PHE 61 27.754 -6.092 -6.092 434 HE1 PHE 61 HE1 PHE 61 23.899 -6.776 -6.776 435 HE2 PHE 61 HE2 PHE 61 27.573 -8.184 -8.184 436 HZ PHE 61 HZ PHE 61 25.645 -8.528 -8.528 437 H ALA 62 HN ALA 62 25.296 -3.335 -3.335 438 HA ALA 62 HA ALA 62 25.555 -0.561 -0.561 439 1HB ALA 62 HB2 ALA 62 25.135 -2.419 -2.419 440 2HB ALA 62 HB1 ALA 62 23.873 -1.197 -1.197 441 3HB ALA 62 HB3 ALA 62 25.570 -0.716 -0.716 442 H GLY 63 HN GLY 63 22.818 -2.550 -2.550 443 1HA GLY 63 HA2 GLY 63 21.335 -0.226 -0.226 444 2HA GLY 63 HA1 GLY 63 20.599 -1.005 -1.005 445 H ARG 64 HN ARG 64 22.474 -2.726 -2.726 446 HA ARG 64 HA ARG 64 20.023 -4.196 -4.196 447 1HB ARG 64 HB2 ARG 64 22.515 -5.146 -5.146 448 2HB ARG 64 HB1 ARG 64 22.597 -5.156 -5.156 449 1HG ARG 64 HG2 ARG 64 20.554 -6.529 -6.529 450 2HG ARG 64 HG1 ARG 64 21.700 -7.285 -7.285 451 1HD ARG 64 HD2 ARG 64 20.543 -6.508 -6.508 452 2HD ARG 64 HD1 ARG 64 19.658 -5.298 -5.298 453 HE ARG 64 HE ARG 64 18.183 -7.030 -7.030 454 1HH1 ARG 64 HH11 ARG 64 20.142 -9.257 -9.257 455 2HH1 ARG 64 HH12 ARG 64 19.699 -10.315 -10.315 456 1HH2 ARG 64 HH21 ARG 64 17.851 -7.914 -7.914 457 2HH2 ARG 64 HH22 ARG 64 18.400 -9.557 -9.557 458 H LEU 65 HN LEU 65 22.848 -2.443 -2.443 459 HA LEU 65 HA LEU 65 21.866 -2.315 -2.315 460 1HB LEU 65 HB2 LEU 65 24.055 -0.638 -0.638 461 2HB LEU 65 HB1 LEU 65 23.839 -1.114 -1.114 462 HG LEU 65 HG LEU 65 24.527 -2.953 -2.953 463 1HD1 LEU 65 HD12 LEU 65 26.098 -1.356 -1.356 464 2HD1 LEU 65 HD11 LEU 65 26.381 -3.060 -3.060 465 3HD1 LEU 65 HD13 LEU 65 26.654 -2.438 -2.438 466 1HD2 LEU 65 HD21 LEU 65 23.793 -3.427 -3.427 467 2HD2 LEU 65 HD23 LEU 65 23.226 -4.279 -4.279 468 3HD2 LEU 65 HD22 LEU 65 24.865 -4.548 -4.548 469 H THR 66 HN THR 66 22.833 0.560 0.560 470 HA THR 66 HA THR 66 20.219 1.717 1.717 471 HB THR 66 HB THR 66 22.420 2.694 2.694 472 HG1 THR 66 HG1 THR 66 19.681 2.558 2.558 473 1HG2 THR 66 HG21 THR 66 20.576 4.247 4.247 474 2HG2 THR 66 HG23 THR 66 20.238 4.463 4.463 475 3HG2 THR 66 HG22 THR 66 21.849 4.805 4.805 476 H ASP 67 HN ASP 67 23.656 2.644 2.644 477 HA ASP 67 HA ASP 67 24.189 3.073 3.073 478 1HB ASP 67 HB2 ASP 67 22.213 4.343 4.343 479 2HB ASP 67 HB1 ASP 67 22.392 5.298 5.298 480 H GLU 68 HN GLU 68 23.860 5.235 5.235 481 HA GLU 68 HA GLU 68 26.541 6.339 6.339 482 1HB GLU 68 HB2 GLU 68 24.526 6.208 6.208 483 2HB GLU 68 HB1 GLU 68 26.007 7.175 7.175 484 1HG GLU 68 HG2 GLU 68 25.050 8.084 8.084 485 2HG GLU 68 HG1 GLU 68 23.515 7.559 7.559 486 H GLN 69 HN GLN 69 25.558 3.293 3.293 487 HA GLN 69 HA GLN 69 27.684 2.734 2.734 488 1HB GLN 69 HB2 GLN 69 25.821 0.578 0.578 489 2HB GLN 69 HB1 GLN 69 26.303 1.365 1.365 490 1HG GLN 69 HG2 GLN 69 24.214 2.375 2.375 491 2HG GLN 69 HG1 GLN 69 23.885 1.659 1.659 492 1HE2 GLN 69 HE22 GLN 69 25.941 4.863 4.863 493 2HE2 GLN 69 HE21 GLN 69 26.626 3.357 3.357 494 H ILE 70 HN ILE 70 26.347 2.074 2.074 495 HA ILE 70 HA ILE 70 28.031 -0.202 -0.202 496 HB ILE 70 HB ILE 70 27.284 2.062 2.062 497 1HG1 ILE 70 HG12 ILE 70 25.189 1.355 1.355 498 2HG1 ILE 70 HG11 ILE 70 25.391 0.409 0.409 499 1HG2 ILE 70 HG22 ILE 70 28.781 -0.354 -0.354 500 2HG2 ILE 70 HG21 ILE 70 27.274 -0.540 -0.540 501 3HG2 ILE 70 HG23 ILE 70 28.349 0.813 0.813 502 1HD1 ILE 70 HD11 ILE 70 26.394 -1.423 -1.423 503 2HD1 ILE 70 HD13 ILE 70 25.880 -0.493 -0.493 504 3HD1 ILE 70 HD12 ILE 70 24.678 -1.118 -1.118 505 H GLN 71 HN GLN 71 28.392 3.131 3.131 506 HA GLN 71 HA GLN 71 31.145 3.374 3.374 507 1HB GLN 71 HB2 GLN 71 28.984 5.171 5.171 508 2HB GLN 71 HB1 GLN 71 30.637 5.744 5.744 509 1HG GLN 71 HG2 GLN 71 29.988 4.440 4.440 510 2HG GLN 71 HG1 GLN 71 28.648 5.517 5.517 511 1HE2 GLN 71 HE22 GLN 71 31.200 8.289 8.289 512 2HE2 GLN 71 HE21 GLN 71 30.217 7.493 7.493 513 H ASP 72 HN ASP 72 29.365 4.383 4.383 514 HA ASP 72 HA ASP 72 31.465 4.684 4.684 515 1HB ASP 72 HB2 ASP 72 29.256 5.521 5.521 516 2HB ASP 72 HB1 ASP 72 28.581 3.892 3.892 517 H VAL 73 HN VAL 73 29.593 1.760 1.760 518 HA VAL 73 HA VAL 73 30.660 0.097 0.097 519 HB VAL 73 HB VAL 73 28.700 -0.303 -0.303 520 1HG1 VAL 73 HG11 VAL 73 30.743 -0.366 -0.366 521 2HG1 VAL 73 HG13 VAL 73 30.595 -2.081 -2.081 522 3HG1 VAL 73 HG12 VAL 73 29.203 -1.193 -1.193 523 1HG2 VAL 73 HG22 VAL 73 30.597 -2.441 -2.441 524 2HG2 VAL 73 HG21 VAL 73 29.159 -1.834 -1.834 525 3HG2 VAL 73 HG23 VAL 73 28.997 -2.781 -2.781 526 H ALA 74 HN ALA 74 31.988 1.159 1.159 527 HA ALA 74 HA ALA 74 34.158 -0.816 -0.816 528 1HB ALA 74 HB2 ALA 74 33.675 1.690 1.690 529 2HB ALA 74 HB1 ALA 74 35.086 0.651 0.651 530 3HB ALA 74 HB3 ALA 74 33.472 0.019 0.019 531 H ALA 75 HN ALA 75 34.096 2.771 2.771 532 HA ALA 75 HA ALA 75 36.655 3.101 3.101 533 1HB ALA 75 HB1 ALA 75 34.092 4.618 4.618 534 2HB ALA 75 HB3 ALA 75 35.187 5.013 5.013 535 3HB ALA 75 HB2 ALA 75 35.736 5.179 5.179 536 H TYR 76 HN TYR 76 33.720 1.839 1.839 537 HA TYR 76 HA TYR 76 34.080 2.053 2.053 538 1HB TYR 76 HB2 TYR 76 31.911 1.506 1.506 539 2HB TYR 76 HB1 TYR 76 32.542 0.183 0.183 540 HD1 TYR 76 HD1 TYR 76 31.855 1.298 1.298 541 HD2 TYR 76 HD2 TYR 76 32.852 -1.989 -1.989 542 HE1 TYR 76 HE1 TYR 76 31.367 -0.180 -0.180 543 HE2 TYR 76 HE2 TYR 76 32.357 -3.544 -3.544 544 HH TYR 76 HH TYR 76 30.633 -3.065 -3.065 545 H VAL 77 HN VAL 77 34.832 -0.584 -0.584 546 HA VAL 77 HA VAL 77 35.994 -2.285 -2.285 547 HB VAL 77 HB VAL 77 35.338 -3.312 -3.312 548 1HG1 VAL 77 HG11 VAL 77 36.866 -1.076 -1.076 549 2HG1 VAL 77 HG13 VAL 77 36.472 -2.525 -2.525 550 3HG1 VAL 77 HG12 VAL 77 35.178 -1.534 -1.534 551 1HG2 VAL 77 HG21 VAL 77 37.841 -3.716 -3.716 552 2HG2 VAL 77 HG23 VAL 77 37.218 -4.573 -4.573 553 3HG2 VAL 77 HG22 VAL 77 38.233 -3.148 -3.148 554 H LEU 78 HN LEU 78 37.105 0.460 0.460 555 HA LEU 78 HA LEU 78 39.951 -0.074 -0.074 556 1HB LEU 78 HB2 LEU 78 38.860 2.671 2.671 557 2HB LEU 78 HB1 LEU 78 40.369 1.945 1.945 558 HG LEU 78 HG LEU 78 37.572 1.427 1.427 559 1HD1 LEU 78 HD13 LEU 78 39.414 3.227 3.227 560 2HD1 LEU 78 HD12 LEU 78 39.962 1.829 1.829 561 3HD1 LEU 78 HD11 LEU 78 38.316 2.429 2.429 562 1HD2 LEU 78 HD22 LEU 78 38.707 -0.755 -0.755 563 2HD2 LEU 78 HD21 LEU 78 38.524 -0.375 -0.375 564 3HD2 LEU 78 HD23 LEU 78 40.088 -0.166 -0.166 565 H ASP 79 HN ASP 79 37.362 1.035 1.035 566 HA ASP 79 HA ASP 79 39.025 2.638 2.638 567 1HB ASP 79 HB2 ASP 79 36.495 2.960 2.960 568 2HB ASP 79 HB1 ASP 79 36.184 2.129 2.129 569 H GLN 80 HN GLN 80 37.111 -0.282 -0.282 570 HA GLN 80 HA GLN 80 37.297 -0.962 -0.962 571 1HB GLN 80 HB2 GLN 80 36.685 -2.833 -2.833 572 2HB GLN 80 HB1 GLN 80 36.132 -2.933 -2.933 573 1HG GLN 80 HG2 GLN 80 35.416 -0.436 -0.436 574 2HG GLN 80 HG1 GLN 80 34.646 -1.902 -1.902 575 1HE2 GLN 80 HE22 GLN 80 33.152 -0.292 -0.292 576 2HE2 GLN 80 HE21 GLN 80 34.085 0.538 0.538 577 H ALA 81 HN ALA 81 38.908 -2.076 -2.076 578 HA ALA 81 HA ALA 81 40.557 -4.000 -4.000 579 1HB ALA 81 HB1 ALA 81 39.861 -3.871 -3.871 580 2HB ALA 81 HB3 ALA 81 41.352 -2.937 -2.937 581 3HB ALA 81 HB2 ALA 81 41.396 -4.592 -4.592 582 H ALA 82 HN ALA 82 40.754 -0.640 -0.640 583 HA ALA 82 HA ALA 82 43.620 -0.466 -0.466 584 1HB ALA 82 HB3 ALA 82 41.431 1.585 1.585 585 2HB ALA 82 HB2 ALA 82 43.108 2.038 2.038 586 3HB ALA 82 HB1 ALA 82 42.684 1.158 1.158 587 H LYS 83 HN LYS 83 41.279 -1.113 -1.113 588 HA LYS 83 HA LYS 83 42.977 -0.276 -0.276 589 1HB LYS 83 HB2 LYS 83 41.709 1.483 1.483 590 2HB LYS 83 HB1 LYS 83 41.871 1.887 1.887 591 1HG LYS 83 HG2 LYS 83 39.614 0.624 0.624 592 2HG LYS 83 HG1 LYS 83 39.459 0.824 0.824 593 1HD LYS 83 HD2 LYS 83 40.222 3.236 3.236 594 2HD LYS 83 HD1 LYS 83 38.558 2.669 2.669 595 1HE LYS 83 HE2 LYS 83 38.042 3.520 3.520 596 2HE LYS 83 HE1 LYS 83 39.338 2.593 2.593 597 1HZ LYS 83 HZ1 LYS 83 40.830 4.419 4.419 598 2HZ LYS 83 HZ3 LYS 83 39.400 5.329 5.329 599 3HZ LYS 83 HZ2 LYS 83 39.974 4.748 4.748 600 H GLY 84 HN GLY 84 41.651 -2.751 -2.751 601 1HA GLY 84 HA2 GLY 84 40.880 -4.377 -4.377 602 2HA GLY 84 HA1 GLY 84 40.180 -3.062 -3.062 603 H TRP 85 HN TRP 85 39.839 -4.757 -4.757 604 HA TRP 85 HA TRP 85 37.456 -3.897 -3.897 605 1HB TRP 85 HB2 TRP 85 38.934 -6.349 -6.349 606 2HB TRP 85 HB1 TRP 85 37.220 -6.730 -6.730 607 HD1 TRP 85 HD1 TRP 85 39.748 -6.064 -6.064 608 HE1 TRP 85 HE1 TRP 85 38.690 -5.294 -5.294 609 HE3 TRP 85 HE3 TRP 85 35.052 -4.970 -4.970 610 HZ2 TRP 85 HZ2 TRP 85 36.179 -4.348 -4.348 611 HZ3 TRP 85 HZ3 TRP 85 33.344 -4.117 -4.117 612 HH2 TRP 85 HH2 TRP 85 33.906 -3.794 -3.794 613 H ALA 86 HN ALA 86 36.179 -3.110 -3.110 614 HA ALA 86 HA ALA 86 34.549 -3.312 -3.312 615 1HB ALA 86 HB3 ALA 86 33.373 -4.144 -4.144 616 2HB ALA 86 HB2 ALA 86 33.809 -5.784 -5.784 617 3HB ALA 86 HB1 ALA 86 32.743 -4.820 -4.820 618 H GLY 87 HN GLY 87 37.155 -4.828 -4.828 619 1HA GLY 87 HA2 GLY 87 36.969 -7.341 -7.341 620 2HA GLY 87 HA1 GLY 87 38.031 -6.100 -6.100 621 HHA HEC 88 HA HEM 88 36.296 -10.844 -10.844 622 HHB HEC 88 HB HEM 88 33.883 -5.839 -5.839 623 HHC HEC 88 HC HEM 88 28.209 -8.715 -8.715 624 HHD HEC 88 HD HEM 88 30.827 -13.913 -13.913 625 1HMA HEC 88 HMA1 HEM 88 36.630 -5.451 -5.451 626 2HMA HEC 88 HMA2 HEM 88 37.513 -6.451 -6.451 627 3HMA HEC 88 HMA3 HEM 88 35.950 -5.661 -5.661 628 1HAA HEC 88 HAA1 HEM 88 37.926 -9.657 -9.657 629 2HAA HEC 88 HAA2 HEM 88 38.344 -8.031 -8.031 630 1HBA HEC 88 HBA1 HEM 88 36.899 -8.340 -8.340 631 2HBA HEC 88 HBA2 HEM 88 37.842 -6.928 -6.928 632 1HMB HEC 88 HMB1 HEM 88 32.605 -4.562 -4.562 633 2HMB HEC 88 HMB2 HEM 88 30.863 -4.079 -4.079 634 3HMB HEC 88 HMB3 HEM 88 31.511 -4.980 -4.980 635 HAB HEC 88 HAB HEM 88 27.922 -6.851 -6.851 636 1HBB HEC 88 HBB1 HEM 88 28.810 -5.528 -5.528 637 2HBB HEC 88 HBB2 HEM 88 27.458 -4.751 -4.751 638 3HBB HEC 88 HBB3 HEM 88 29.151 -4.171 -4.171 639 1HMC HEC 88 HMC1 HEM 88 26.318 -11.841 -11.841 640 2HMC HEC 88 HMC2 HEM 88 26.899 -11.305 -11.305 641 3HMC HEC 88 HMC3 HEM 88 26.610 -10.087 -10.087 642 HAC HEC 88 HAC HEM 88 27.455 -13.704 -13.704 643 1HBC HEC 88 HBC1 HEM 88 27.598 -14.901 -14.901 644 2HBC HEC 88 HBC2 HEM 88 29.159 -15.579 -15.579 645 3HBC HEC 88 HBC3 HEM 88 29.154 -14.094 -14.094 646 1HMD HEC 88 HMD1 HEM 88 32.018 -15.195 -15.195 647 2HMD HEC 88 HMD2 HEM 88 33.168 -15.066 -15.066 648 3HMD HEC 88 HMD3 HEM 88 33.756 -15.647 -15.647 649 1HAD HEC 88 HAD1 HEM 88 35.813 -14.412 -14.412 650 2HAD HEC 88 HAD2 HEM 88 36.607 -12.810 -12.810 651 1HBD HEC 88 HBD1 HEM 88 35.468 -13.892 -13.892 652 2HBD HEC 88 HBD2 HEM 88 34.492 -12.447 -12.447 Start of MODEL 2 1 1H ALA 1 HT3 ALA 1 28.966 12.417 12.417 2 2H ALA 1 HT2 ALA 1 28.300 12.695 12.695 3 3H ALA 1 HT1 ALA 1 27.313 12.148 12.148 4 HA ALA 1 HA ALA 1 27.682 10.070 10.070 5 1HB ALA 1 HB3 ALA 1 29.639 11.380 11.380 6 2HB ALA 1 HB2 ALA 1 29.315 9.646 9.646 7 3HB ALA 1 HB1 ALA 1 28.018 10.787 10.787 8 H ASP 2 HN ASP 2 28.570 8.900 8.900 9 HA ASP 2 HA ASP 2 31.520 9.161 9.161 10 1HB ASP 2 HB2 ASP 2 29.551 8.259 8.259 11 2HB ASP 2 HB1 ASP 2 31.187 8.893 8.893 12 H LEU 3 HN LEU 3 32.576 7.124 7.124 13 HA LEU 3 HA LEU 3 31.504 4.834 4.834 14 1HB LEU 3 HB2 LEU 3 33.780 4.869 4.869 15 2HB LEU 3 HB1 LEU 3 33.467 3.634 3.634 16 HG LEU 3 HG LEU 3 34.618 6.376 6.376 17 1HD1 LEU 3 HD11 LEU 3 35.068 3.659 3.659 18 2HD1 LEU 3 HD13 LEU 3 35.983 5.113 5.113 19 3HD1 LEU 3 HD12 LEU 3 36.082 4.432 4.432 20 1HD2 LEU 3 HD23 LEU 3 32.819 4.990 4.990 21 2HD2 LEU 3 HD22 LEU 3 32.770 6.669 6.669 22 3HD2 LEU 3 HD21 LEU 3 34.075 6.117 6.117 23 H ALA 4 HN ALA 4 30.697 6.187 6.187 24 HA ALA 4 HA ALA 4 30.390 3.883 3.883 25 1HB ALA 4 HB1 ALA 4 29.023 6.581 6.581 26 2HB ALA 4 HB3 ALA 4 28.516 5.349 5.349 27 3HB ALA 4 HB2 ALA 4 30.157 5.992 5.992 28 H ASN 5 HN ASN 5 28.643 5.387 5.387 29 HA ASN 5 HA ASN 5 26.218 3.827 3.827 30 1HB ASN 5 HB2 ASN 5 27.246 5.992 5.992 31 2HB ASN 5 HB1 ASN 5 26.820 4.728 4.728 32 1HD2 ASN 5 HD22 ASN 5 23.701 5.743 5.743 33 2HD2 ASN 5 HD21 ASN 5 25.219 5.354 5.354 34 H GLY 6 HN GLY 6 29.396 3.413 3.413 35 1HA GLY 6 HA2 GLY 6 28.869 1.339 1.339 36 2HA GLY 6 HA1 GLY 6 30.412 1.583 1.583 37 H ALA 7 HN ALA 7 29.861 1.123 1.123 38 HA ALA 7 HA ALA 7 29.797 -1.649 -1.649 39 1HB ALA 7 HB3 ALA 7 29.842 0.616 0.616 40 2HB ALA 7 HB2 ALA 7 28.588 -0.476 -0.476 41 3HB ALA 7 HB1 ALA 7 30.243 -1.056 -1.056 42 H LYS 8 HN LYS 8 27.164 0.479 0.479 43 HA LYS 8 HA LYS 8 25.153 -1.422 -1.422 44 1HB LYS 8 HB2 LYS 8 24.212 0.688 0.688 45 2HB LYS 8 HB1 LYS 8 25.158 1.296 1.296 46 1HG LYS 8 HG2 LYS 8 23.197 -0.798 -0.798 47 2HG LYS 8 HG1 LYS 8 22.482 0.697 0.697 48 1HD LYS 8 HD2 LYS 8 24.453 0.436 0.436 49 2HD LYS 8 HD1 LYS 8 22.750 0.879 0.879 50 1HE LYS 8 HE2 LYS 8 24.014 2.596 2.596 51 2HE LYS 8 HE1 LYS 8 24.970 2.596 2.596 52 1HZ LYS 8 HZ2 LYS 8 22.414 2.704 2.704 53 2HZ LYS 8 HZ1 LYS 8 22.351 3.673 3.673 54 3HZ LYS 8 HZ3 LYS 8 23.452 4.037 4.037 55 H VAL 9 HN VAL 9 26.547 -0.225 -0.225 56 HA VAL 9 HA VAL 9 25.073 -1.845 -1.845 57 HB VAL 9 HB VAL 9 27.962 -1.022 -1.022 58 1HG1 VAL 9 HG11 VAL 9 26.580 -2.452 -2.452 59 2HG1 VAL 9 HG13 VAL 9 25.764 -0.931 -0.931 60 3HG1 VAL 9 HG12 VAL 9 27.503 -1.079 -1.079 61 1HG2 VAL 9 HG22 VAL 9 25.469 0.654 0.654 62 2HG2 VAL 9 HG21 VAL 9 26.909 0.957 0.957 63 3HG2 VAL 9 HG23 VAL 9 26.974 1.125 1.125 64 H PHE 10 HN PHE 10 27.767 -2.471 -2.471 65 HA PHE 10 HA PHE 10 28.243 -5.085 -5.085 66 1HB PHE 10 HB2 PHE 10 30.206 -3.687 -3.687 67 2HB PHE 10 HB1 PHE 10 29.780 -3.575 -3.575 68 HD1 PHE 10 HD1 PHE 10 29.554 -5.703 -5.703 69 HD2 PHE 10 HD2 PHE 10 31.499 -5.538 -5.538 70 HE1 PHE 10 HE1 PHE 10 30.661 -7.829 -7.829 71 HE2 PHE 10 HE2 PHE 10 32.620 -7.695 -7.695 72 HZ PHE 10 HZ PHE 10 32.212 -8.846 -8.846 73 H SER 11 HN SER 11 26.860 -3.678 -3.678 74 HA SER 11 HA SER 11 26.868 -6.201 -6.201 75 1HB SER 11 HB2 SER 11 25.679 -3.474 -3.474 76 2HB SER 11 HB1 SER 11 25.548 -4.855 -4.855 77 HG SER 11 HG SER 11 27.336 -3.833 -3.833 78 H GLY 12 HN GLY 12 25.391 -5.755 -5.755 79 1HA GLY 12 HA2 GLY 12 23.019 -7.206 -7.206 80 2HA GLY 12 HA1 GLY 12 22.649 -5.557 -5.557 81 H ASN 13 HN ASN 13 25.032 -5.719 -5.719 82 HA ASN 13 HA ASN 13 23.643 -7.411 -7.411 83 1HB ASN 13 HB2 ASN 13 25.221 -4.963 -4.963 84 2HB ASN 13 HB1 ASN 13 23.889 -5.733 -5.733 85 1HD2 ASN 13 HD22 ASN 13 23.001 -3.277 -3.277 86 2HD2 ASN 13 HD21 ASN 13 24.519 -4.035 -4.035 87 H CYS 14 HN CYS 14 26.489 -6.934 -6.934 88 HA CYS 14 HA CYS 14 28.051 -8.443 -8.443 89 1HB CYS 14 HB2 CYS 14 29.271 -6.531 -6.531 90 2HB CYS 14 HB1 CYS 14 29.993 -7.176 -7.176 91 H ALA 15 HN ALA 15 27.123 -8.103 -8.103 92 HA ALA 15 HA ALA 15 29.077 -9.660 -9.660 93 1HB ALA 15 HB1 ALA 15 26.142 -9.232 -9.232 94 2HB ALA 15 HB3 ALA 15 27.165 -10.189 -10.189 95 3HB ALA 15 HB2 ALA 15 27.519 -8.482 -8.482 96 H ALA 16 HN ALA 16 26.182 -10.678 -10.678 97 HA ALA 16 HA ALA 16 26.201 -13.416 -13.416 98 1HB ALA 16 HB1 ALA 16 24.551 -11.870 -11.870 99 2HB ALA 16 HB3 ALA 16 25.332 -12.817 -12.817 100 3HB ALA 16 HB2 ALA 16 24.469 -13.632 -13.632 101 H CYS 17 HN CYS 17 28.495 -11.785 -11.785 102 HA CYS 17 HA CYS 17 29.563 -14.418 -14.418 103 1HB CYS 17 HB2 CYS 17 29.157 -12.018 -12.018 104 2HB CYS 17 HB1 CYS 17 30.165 -13.380 -13.380 105 H HIS 18 HN HIS 18 30.202 -12.125 -12.125 106 HA HIS 18 HA HIS 18 33.088 -12.244 -12.244 107 1HB HIS 18 HB2 HIS 18 31.607 -9.593 -9.593 108 2HB HIS 18 HB1 HIS 18 33.348 -9.769 -9.769 109 HD1 HIS 18 HD1 HIS 18 34.682 -10.530 -10.530 110 HD2 HIS 18 HD2 HIS 18 30.590 -10.312 -10.312 111 HE1 HIS 18 HE1 HIS 18 34.393 -10.778 -10.778 112 H MET 19 HN MET 19 30.589 -10.461 -10.461 113 HA MET 19 HA MET 19 30.585 -9.766 -9.766 114 1HB MET 19 HB2 MET 19 30.810 -11.932 -11.932 115 2HB MET 19 HB1 MET 19 29.455 -11.774 -11.774 116 1HG MET 19 HG2 MET 19 30.614 -13.115 -13.115 117 2HG MET 19 HG1 MET 19 32.067 -13.169 -13.169 118 1HE MET 19 HE1 MET 19 31.397 -15.350 -15.350 119 2HE MET 19 HE3 MET 19 31.276 -16.639 -16.639 120 3HE MET 19 HE2 MET 19 29.859 -16.162 -16.162 121 H GLY 20 HN GLY 20 32.359 -8.462 -8.462 122 1HA GLY 20 HA2 GLY 20 34.354 -7.933 -7.933 123 2HA GLY 20 HA1 GLY 20 34.449 -9.623 -9.623 124 H GLY 21 HN GLY 21 34.461 -7.997 -7.997 125 1HA GLY 21 HA2 GLY 21 35.721 -8.547 -8.547 126 2HA GLY 21 HA1 GLY 21 37.048 -8.126 -8.126 127 H GLY 22 HN GLY 22 35.104 -10.821 -10.821 128 1HA GLY 22 HA2 GLY 22 37.422 -12.589 -12.589 129 2HA GLY 22 HA1 GLY 22 36.133 -13.020 -13.020 130 H ASN 23 HN ASN 23 37.082 -12.899 -12.899 131 HA ASN 23 HA ASN 23 34.796 -13.309 -13.309 132 1HB ASN 23 HB2 ASN 23 37.364 -13.564 -13.564 133 2HB ASN 23 HB1 ASN 23 37.011 -15.284 -15.284 134 1HD2 ASN 23 HD22 ASN 23 35.657 -13.317 -13.317 135 2HD2 ASN 23 HD21 ASN 23 36.582 -12.523 -12.523 136 H VAL 24 HN VAL 24 33.600 -15.261 -15.261 137 HA VAL 24 HA VAL 24 33.585 -17.333 -17.333 138 HB VAL 24 HB VAL 24 31.576 -16.055 -16.055 139 1HG1 VAL 24 HG13 VAL 24 31.751 -16.018 -16.018 140 2HG1 VAL 24 HG12 VAL 24 30.127 -16.072 -16.072 141 3HG1 VAL 24 HG11 VAL 24 31.220 -14.756 -14.756 142 1HG2 VAL 24 HG22 VAL 24 31.545 -18.752 -18.752 143 2HG2 VAL 24 HG21 VAL 24 30.203 -17.848 -17.848 144 3HG2 VAL 24 HG23 VAL 24 30.299 -18.067 -18.067 145 H VAL 25 HN VAL 25 33.713 -16.675 -16.675 146 HA VAL 25 HA VAL 25 33.351 -19.586 -19.586 147 HB VAL 25 HB VAL 25 33.319 -17.293 -17.293 148 1HG1 VAL 25 HG12 VAL 25 33.750 -19.868 -19.868 149 2HG1 VAL 25 HG11 VAL 25 31.994 -19.943 -19.943 150 3HG1 VAL 25 HG13 VAL 25 32.736 -18.868 -18.868 151 1HG2 VAL 25 HG22 VAL 25 31.449 -17.627 -17.627 152 2HG2 VAL 25 HG21 VAL 25 31.075 -17.001 -17.001 153 3HG2 VAL 25 HG23 VAL 25 30.810 -18.705 -18.705 154 H MET 26 HN MET 26 35.202 -16.920 -16.920 155 HA MET 26 HA MET 26 37.268 -18.594 -18.594 156 1HB MET 26 HB2 MET 26 36.898 -15.690 -15.690 157 2HB MET 26 HB1 MET 26 38.577 -16.233 -16.233 158 1HG MET 26 HG2 MET 26 36.475 -16.898 -16.898 159 2HG MET 26 HG1 MET 26 37.679 -15.620 -15.620 160 1HE MET 26 HE3 MET 26 37.283 -17.781 -17.781 161 2HE MET 26 HE2 MET 26 38.207 -19.276 -19.276 162 3HE MET 26 HE1 MET 26 36.790 -19.037 -19.037 163 H ALA 27 HN ALA 27 39.622 -18.443 -18.443 164 HA ALA 27 HA ALA 27 39.761 -18.420 -18.420 165 1HB ALA 27 HB3 ALA 27 40.953 -20.455 -20.455 166 2HB ALA 27 HB2 ALA 27 41.371 -20.345 -20.345 167 3HB ALA 27 HB1 ALA 27 39.723 -20.748 -20.748 168 H ASN 28 HN ASN 28 40.486 -16.149 -16.149 169 HA ASN 28 HA ASN 28 43.209 -15.796 -15.796 170 1HB ASN 28 HB2 ASN 28 44.295 -15.600 -15.600 171 2HB ASN 28 HB1 ASN 28 43.439 -17.145 -17.145 172 1HD2 ASN 28 HD22 ASN 28 40.906 -15.924 -15.924 173 2HD2 ASN 28 HD21 ASN 28 41.096 -16.960 -16.960 174 H LYS 29 HN LYS 29 40.684 -14.674 -14.674 175 HA LYS 29 HA LYS 29 41.457 -11.879 -11.879 176 1HB LYS 29 HB2 LYS 29 39.188 -13.349 -13.349 177 2HB LYS 29 HB1 LYS 29 39.056 -11.609 -11.609 178 1HG LYS 29 HG2 LYS 29 40.875 -11.137 -11.137 179 2HG LYS 29 HG1 LYS 29 41.542 -12.762 -12.762 180 1HD LYS 29 HD2 LYS 29 39.547 -13.632 -13.632 181 2HD LYS 29 HD1 LYS 29 39.045 -11.962 -11.962 182 1HE LYS 29 HE2 LYS 29 40.985 -11.485 -11.485 183 2HE LYS 29 HE1 LYS 29 41.789 -12.963 -12.963 184 1HZ LYS 29 HZ2 LYS 29 39.949 -14.200 -14.200 185 2HZ LYS 29 HZ1 LYS 29 39.430 -12.725 -12.725 186 3HZ LYS 29 HZ3 LYS 29 40.962 -13.339 -13.339 187 H THR 30 HN THR 30 41.289 -11.180 -11.180 188 HA THR 30 HA THR 30 38.636 -11.595 -11.595 189 HB THR 30 HB THR 30 41.241 -11.061 -11.061 190 HG1 THR 30 HG1 THR 30 41.788 -12.992 -12.992 191 1HG2 THR 30 HG23 THR 30 38.449 -11.708 -11.708 192 2HG2 THR 30 HG22 THR 30 39.679 -12.606 -12.606 193 3HG2 THR 30 HG21 THR 30 39.680 -10.844 -10.844 194 H LEU 31 HN LEU 31 38.278 -9.876 -9.876 195 HA LEU 31 HA LEU 31 38.497 -7.239 -7.239 196 1HB LEU 31 HB2 LEU 31 36.884 -8.493 -8.493 197 2HB LEU 31 HB1 LEU 31 36.987 -6.730 -6.730 198 HG LEU 31 HG LEU 31 35.858 -6.658 -6.658 199 1HD1 LEU 31 HD12 LEU 31 36.730 -9.516 -9.516 200 2HD1 LEU 31 HD11 LEU 31 35.621 -8.667 -8.667 201 3HD1 LEU 31 HD13 LEU 31 37.279 -8.095 -8.095 202 1HD2 LEU 31 HD21 LEU 31 34.837 -9.073 -9.073 203 2HD2 LEU 31 HD23 LEU 31 34.223 -7.423 -7.423 204 3HD2 LEU 31 HD22 LEU 31 34.007 -8.372 -8.372 205 H LYS 32 HN LYS 32 39.948 -8.993 -8.993 206 HA LYS 32 HA LYS 32 40.583 -6.809 -6.809 207 1HB LYS 32 HB2 LYS 32 42.540 -8.239 -8.239 208 2HB LYS 32 HB1 LYS 32 40.981 -9.061 -9.061 209 1HG LYS 32 HG2 LYS 32 41.851 -9.528 -9.528 210 2HG LYS 32 HG1 LYS 32 43.333 -9.643 -9.643 211 1HD LYS 32 HD2 LYS 32 40.779 -11.068 -11.068 212 2HD LYS 32 HD1 LYS 32 42.007 -11.813 -11.813 213 1HE LYS 32 HE2 LYS 32 43.623 -11.789 -11.789 214 2HE LYS 32 HE1 LYS 32 42.737 -10.585 -10.585 215 1HZ LYS 32 HZ1 LYS 32 41.182 -12.929 -12.929 216 2HZ LYS 32 HZ3 LYS 32 42.624 -13.297 -13.297 217 3HZ LYS 32 HZ2 LYS 32 41.544 -12.159 -12.159 218 H LYS 33 HN LYS 33 43.142 -6.240 -6.240 219 HA LYS 33 HA LYS 33 43.773 -4.837 -4.837 220 1HB LYS 33 HB2 LYS 33 45.624 -3.879 -3.879 221 2HB LYS 33 HB1 LYS 33 44.122 -3.782 -3.782 222 1HG LYS 33 HG2 LYS 33 44.768 -5.916 -5.916 223 2HG LYS 33 HG1 LYS 33 46.329 -5.834 -5.834 224 1HD LYS 33 HD2 LYS 33 45.212 -3.667 -3.667 225 2HD LYS 33 HD1 LYS 33 46.412 -4.864 -4.864 226 1HE LYS 33 HE2 LYS 33 47.687 -3.990 -3.990 227 2HE LYS 33 HE1 LYS 33 46.695 -2.555 -2.555 228 1HZ LYS 33 HZ2 LYS 33 47.487 -2.620 -2.620 229 2HZ LYS 33 HZ1 LYS 33 48.621 -3.789 -3.789 230 3HZ LYS 33 HZ3 LYS 33 48.674 -2.232 -2.232 231 H GLU 34 HN GLU 34 45.126 -7.486 -7.486 232 HA GLU 34 HA GLU 34 47.560 -7.840 -7.840 233 1HB GLU 34 HB2 GLU 34 45.717 -9.903 -9.903 234 2HB GLU 34 HB1 GLU 34 47.370 -10.241 -10.241 235 1HG GLU 34 HG2 GLU 34 47.559 -7.907 -7.907 236 2HG GLU 34 HG1 GLU 34 46.434 -8.950 -8.950 237 H ALA 35 HN ALA 35 44.324 -8.862 -8.862 238 HA ALA 35 HA ALA 35 45.493 -10.117 -10.117 239 1HB ALA 35 HB2 ALA 35 43.795 -11.297 -11.297 240 2HB ALA 35 HB1 ALA 35 42.598 -10.344 -10.344 241 3HB ALA 35 HB3 ALA 35 43.620 -11.492 -11.492 242 H LEU 36 HN LEU 36 42.990 -7.776 -7.776 243 HA LEU 36 HA LEU 36 42.202 -7.181 -7.181 244 1HB LEU 36 HB2 LEU 36 40.781 -5.645 -5.645 245 2HB LEU 36 HB1 LEU 36 41.104 -6.597 -6.597 246 HG LEU 36 HG LEU 36 43.058 -4.954 -4.954 247 1HD1 LEU 36 HD11 LEU 36 41.789 -3.900 -3.900 248 2HD1 LEU 36 HD13 LEU 36 41.829 -2.703 -2.703 249 3HD1 LEU 36 HD12 LEU 36 43.323 -3.454 -3.454 250 1HD2 LEU 36 HD22 LEU 36 40.135 -4.574 -4.574 251 2HD2 LEU 36 HD21 LEU 36 41.381 -4.713 -4.713 252 3HD2 LEU 36 HD23 LEU 36 41.158 -3.188 -3.188 253 H GLU 37 HN GLU 37 44.992 -6.466 -6.466 254 HA GLU 37 HA GLU 37 45.754 -4.352 -4.352 255 1HB GLU 37 HB2 GLU 37 46.991 -4.880 -4.880 256 2HB GLU 37 HB1 GLU 37 47.302 -3.501 -3.501 257 1HG GLU 37 HG2 GLU 37 44.923 -2.822 -2.822 258 2HG GLU 37 HG1 GLU 37 44.663 -4.168 -4.168 259 H GLN 38 HN GLN 38 46.085 -7.557 -7.557 260 HA GLN 38 HA GLN 38 48.917 -7.931 -7.931 261 1HB GLN 38 HB2 GLN 38 47.891 -9.784 -9.784 262 2HB GLN 38 HB1 GLN 38 46.455 -9.659 -9.659 263 1HG GLN 38 HG2 GLN 38 47.984 -11.607 -11.607 264 2HG GLN 38 HG1 GLN 38 47.620 -10.534 -10.534 265 1HE2 GLN 38 HE22 GLN 38 51.206 -9.502 -9.502 266 2HE2 GLN 38 HE21 GLN 38 49.779 -9.444 -9.444 267 H PHE 39 HN PHE 39 46.031 -8.320 -8.320 268 HA PHE 39 HA PHE 39 47.665 -8.444 -8.444 269 1HB PHE 39 HB2 PHE 39 45.148 -8.394 -8.394 270 2HB PHE 39 HB1 PHE 39 45.946 -9.857 -9.857 271 HD1 PHE 39 HD1 PHE 39 43.765 -7.075 -7.075 272 HD2 PHE 39 HD2 PHE 39 45.031 -11.158 -11.158 273 HE1 PHE 39 HE1 PHE 39 42.019 -7.439 -7.439 274 HE2 PHE 39 HE2 PHE 39 43.278 -11.513 -11.513 275 HZ PHE 39 HZ PHE 39 41.765 -9.651 -9.651 276 H GLY 40 HN GLY 40 45.272 -6.278 -6.278 277 1HA GLY 40 HA2 GLY 40 46.062 -3.839 -3.839 278 2HA GLY 40 HA1 GLY 40 46.066 -4.230 -4.230 279 H MET 41 HN MET 41 43.583 -5.364 -5.364 280 HA MET 41 HA MET 41 41.589 -3.954 -3.954 281 1HB MET 41 HB2 MET 41 40.077 -5.527 -5.527 282 2HB MET 41 HB1 MET 41 41.525 -6.449 -6.449 283 1HG MET 41 HG2 MET 41 40.547 -6.653 -6.653 284 2HG MET 41 HG1 MET 41 41.202 -5.050 -5.050 285 1HE MET 41 HE2 MET 41 40.001 -3.518 -3.518 286 2HE MET 41 HE1 MET 41 38.255 -3.390 -3.390 287 3HE MET 41 HE3 MET 41 39.128 -4.767 -4.767 288 H TYR 42 HN TYR 42 43.479 -2.850 -2.850 289 HA TYR 42 HA TYR 42 41.702 -1.800 -1.800 290 1HB TYR 42 HB2 TYR 42 44.193 -2.177 -2.177 291 2HB TYR 42 HB1 TYR 42 44.430 -0.792 -0.792 292 HD1 TYR 42 HD1 TYR 42 43.309 -1.891 -1.891 293 HD2 TYR 42 HD2 TYR 42 43.938 1.479 1.479 294 HE1 TYR 42 HE1 TYR 42 43.104 -0.363 -0.363 295 HE2 TYR 42 HE2 TYR 42 43.733 3.007 3.007 296 HH TYR 42 HH TYR 42 43.212 3.168 3.168 297 H SER 43 HN SER 43 41.362 -1.176 -1.176 298 HA SER 43 HA SER 43 41.280 1.774 1.774 299 1HB SER 43 HB2 SER 43 42.010 -0.002 -0.002 300 2HB SER 43 HB1 SER 43 40.617 0.940 0.940 301 HG SER 43 HG SER 43 41.735 2.815 2.815 302 H GLU 44 HN GLU 44 39.310 2.723 2.723 303 HA GLU 44 HA GLU 44 36.881 1.460 1.460 304 1HB GLU 44 HB2 GLU 44 35.835 3.654 3.654 305 2HB GLU 44 HB1 GLU 44 37.003 3.784 3.784 306 1HG GLU 44 HG2 GLU 44 38.655 3.978 3.978 307 2HG GLU 44 HG1 GLU 44 37.196 4.726 4.726 308 H ASP 45 HN ASP 45 37.916 2.944 2.944 309 HA ASP 45 HA ASP 45 35.814 2.120 2.120 310 1HB ASP 45 HB2 ASP 45 37.664 3.504 3.504 311 2HB ASP 45 HB1 ASP 45 38.711 2.091 2.091 312 H ALA 46 HN ALA 46 38.619 0.178 0.178 313 HA ALA 46 HA ALA 46 38.105 -2.109 -2.109 314 1HB ALA 46 HB3 ALA 46 39.598 -1.538 -1.538 315 2HB ALA 46 HB2 ALA 46 39.149 -3.224 -3.224 316 3HB ALA 46 HB1 ALA 46 40.123 -2.376 -2.376 317 H ILE 47 HN ILE 47 37.442 -2.014 -2.014 318 HA ILE 47 HA ILE 47 35.511 -4.140 -4.140 319 HB ILE 47 HB ILE 47 36.858 -3.484 -3.484 320 1HG1 ILE 47 HG12 ILE 47 33.850 -3.499 -3.499 321 2HG1 ILE 47 HG11 ILE 47 34.895 -4.918 -4.918 322 1HG2 ILE 47 HG22 ILE 47 35.641 -0.978 -0.978 323 2HG2 ILE 47 HG21 ILE 47 35.040 -1.558 -1.558 324 3HG2 ILE 47 HG23 ILE 47 36.774 -1.391 -1.391 325 1HD1 ILE 47 HD12 ILE 47 36.164 -3.827 -3.827 326 2HD1 ILE 47 HD11 ILE 47 34.809 -2.710 -2.710 327 3HD1 ILE 47 HD13 ILE 47 34.546 -4.433 -4.433 328 H ILE 48 HN ILE 48 35.297 -0.938 -0.938 329 HA ILE 48 HA ILE 48 32.485 -0.527 -0.527 330 HB ILE 48 HB ILE 48 34.582 1.059 1.059 331 1HG1 ILE 48 HG12 ILE 48 32.627 1.591 1.591 332 2HG1 ILE 48 HG11 ILE 48 34.365 1.357 1.357 333 1HG2 ILE 48 HG23 ILE 48 31.619 1.657 1.657 334 2HG2 ILE 48 HG22 ILE 48 32.902 2.724 2.724 335 3HG2 ILE 48 HG21 ILE 48 32.602 1.192 1.192 336 1HD1 ILE 48 HD12 ILE 48 33.126 3.587 3.587 337 2HD1 ILE 48 HD11 ILE 48 33.614 3.775 3.775 338 3HD1 ILE 48 HD13 ILE 48 34.821 3.408 3.408 339 H TYR 49 HN TYR 49 34.401 -1.610 -1.610 340 HA TYR 49 HA TYR 49 31.999 -1.850 -1.850 341 1HB TYR 49 HB2 TYR 49 34.048 -1.103 -1.103 342 2HB TYR 49 HB1 TYR 49 34.913 -2.522 -2.522 343 HD1 TYR 49 HD1 TYR 49 34.327 -4.788 -4.788 344 HD2 TYR 49 HD2 TYR 49 32.473 -1.266 -1.266 345 HE1 TYR 49 HE1 TYR 49 33.477 -6.111 -6.111 346 HE2 TYR 49 HE2 TYR 49 31.615 -2.587 -2.587 347 HH TYR 49 HH TYR 49 31.454 -5.869 -5.869 348 H GLN 50 HN GLN 50 33.779 -3.576 -3.576 349 HA GLN 50 HA GLN 50 32.978 -6.221 -6.221 350 1HB GLN 50 HB2 GLN 50 35.132 -6.431 -6.431 351 2HB GLN 50 HB1 GLN 50 34.890 -5.175 -5.175 352 1HG GLN 50 HG2 GLN 50 34.966 -7.015 -7.015 353 2HG GLN 50 HG1 GLN 50 33.239 -6.998 -6.998 354 1HE2 GLN 50 HE22 GLN 50 35.476 -9.671 -9.671 355 2HE2 GLN 50 HE21 GLN 50 36.106 -8.126 -8.126 356 H VAL 51 HN VAL 51 31.872 -3.732 -3.732 357 HA VAL 51 HA VAL 51 30.101 -5.534 -5.534 358 HB VAL 51 HB VAL 51 30.770 -2.593 -2.593 359 1HG1 VAL 51 HG11 VAL 51 28.595 -4.213 -4.213 360 2HG1 VAL 51 HG13 VAL 51 29.383 -2.970 -2.970 361 3HG1 VAL 51 HG12 VAL 51 28.576 -2.534 -2.534 362 1HG2 VAL 51 HG22 VAL 51 32.284 -4.576 -4.576 363 2HG2 VAL 51 HG21 VAL 51 32.018 -3.153 -3.153 364 3HG2 VAL 51 HG23 VAL 51 31.096 -4.626 -4.626 365 H GLN 52 HN GLN 52 30.074 -2.914 -2.914 366 HA GLN 52 HA GLN 52 27.224 -2.536 -2.536 367 1HB GLN 52 HB2 GLN 52 29.533 -1.398 -1.398 368 2HB GLN 52 HB1 GLN 52 28.339 -1.743 -1.743 369 1HG GLN 52 HG2 GLN 52 26.630 -0.526 -0.526 370 2HG GLN 52 HG1 GLN 52 27.816 -0.201 -0.201 371 1HE2 GLN 52 HE22 GLN 52 29.715 1.816 1.816 372 2HE2 GLN 52 HE21 GLN 52 30.048 0.316 0.316 373 H HIS 53 HN HIS 53 29.184 -5.032 -5.032 374 HA HIS 53 HA HIS 53 27.020 -6.141 -6.141 375 1HB HIS 53 HB2 HIS 53 29.115 -6.324 -6.324 376 2HB HIS 53 HB1 HIS 53 27.566 -5.520 -5.520 377 HD1 HIS 53 HD1 HIS 53 28.531 -3.648 -3.648 378 HD2 HIS 53 HD2 HIS 53 30.187 -3.813 -3.813 379 HE1 HIS 53 HE1 HIS 53 29.805 -1.485 -1.485 380 H GLY 54 HN GLY 54 28.692 -6.762 -6.762 381 1HA GLY 54 HA2 GLY 54 30.050 -8.517 -8.517 382 2HA GLY 54 HA1 GLY 54 29.099 -9.484 -9.484 383 H LYS 55 HN LYS 55 30.575 -10.682 -10.682 384 HA LYS 55 HA LYS 55 32.078 -10.153 -10.153 385 1HB LYS 55 HB2 LYS 55 33.358 -8.937 -8.937 386 2HB LYS 55 HB1 LYS 55 34.413 -10.126 -10.126 387 1HG LYS 55 HG2 LYS 55 34.547 -8.973 -8.973 388 2HG LYS 55 HG1 LYS 55 32.899 -8.344 -8.344 389 1HD LYS 55 HD2 LYS 55 33.696 -6.409 -6.409 390 2HD LYS 55 HD1 LYS 55 34.399 -7.270 -7.270 391 1HE LYS 55 HE2 LYS 55 36.380 -7.823 -7.823 392 2HE LYS 55 HE1 LYS 55 35.697 -6.768 -6.768 393 1HZ LYS 55 HZ1 LYS 55 35.612 -5.270 -5.270 394 2HZ LYS 55 HZ3 LYS 55 37.095 -6.085 -6.085 395 3HZ LYS 55 HZ2 LYS 55 36.764 -5.133 -5.133 396 H ASN 56 HN ASN 56 32.648 -12.108 -12.108 397 HA ASN 56 HA ASN 56 33.189 -14.379 -14.379 398 1HB ASN 56 HB2 ASN 56 34.380 -13.652 -13.652 399 2HB ASN 56 HB1 ASN 56 34.569 -15.235 -15.235 400 1HD2 ASN 56 HD22 ASN 56 36.701 -12.045 -12.045 401 2HD2 ASN 56 HD21 ASN 56 35.517 -11.834 -11.834 402 H ALA 57 HN ALA 57 32.792 -14.334 -14.334 403 HA ALA 57 HA ALA 57 30.178 -15.744 -15.744 404 1HB ALA 57 HB3 ALA 57 32.599 -16.472 -16.472 405 2HB ALA 57 HB2 ALA 57 31.050 -16.742 -16.742 406 3HB ALA 57 HB1 ALA 57 31.391 -17.513 -17.513 407 H MET 58 HN MET 58 30.665 -12.872 -12.872 408 HA MET 58 HA MET 58 29.559 -12.663 -12.663 409 1HB MET 58 HB2 MET 58 31.698 -11.476 -11.476 410 2HB MET 58 HB1 MET 58 30.966 -10.539 -10.539 411 1HG MET 58 HG2 MET 58 29.322 -9.611 -9.611 412 2HG MET 58 HG1 MET 58 30.030 -10.580 -10.580 413 1HE MET 58 HE3 MET 58 29.812 -8.173 -8.173 414 2HE MET 58 HE2 MET 58 30.861 -6.813 -6.813 415 3HE MET 58 HE1 MET 58 29.583 -7.282 -7.282 416 HA PRO 59 HA PRO 59 25.769 -11.485 -11.485 417 1HB PRO 59 HB2 PRO 59 24.597 -10.438 -10.438 418 2HB PRO 59 HB1 PRO 59 24.743 -12.167 -12.167 419 1HG PRO 59 HG2 PRO 59 26.250 -10.471 -10.471 420 2HG PRO 59 HG1 PRO 59 25.963 -12.214 -12.214 421 1HD PRO 59 HD2 PRO 59 28.332 -10.912 -10.912 422 2HD PRO 59 HD1 PRO 59 27.976 -12.630 -12.630 423 H ALA 60 HN ALA 60 25.987 -9.812 -9.812 424 HA ALA 60 HA ALA 60 26.780 -7.141 -7.141 425 1HB ALA 60 HB1 ALA 60 24.771 -8.431 -8.431 426 2HB ALA 60 HB3 ALA 60 25.218 -6.730 -6.730 427 3HB ALA 60 HB2 ALA 60 26.437 -7.983 -7.983 428 H PHE 61 HN PHE 61 25.874 -5.594 -5.594 429 HA PHE 61 HA PHE 61 23.106 -5.969 -5.969 430 1HB PHE 61 HB2 PHE 61 25.323 -4.115 -4.115 431 2HB PHE 61 HB1 PHE 61 23.674 -4.001 -4.001 432 HD1 PHE 61 HD1 PHE 61 22.677 -6.517 -6.517 433 HD2 PHE 61 HD2 PHE 61 26.778 -5.290 -5.290 434 HE1 PHE 61 HE1 PHE 61 23.130 -8.392 -8.392 435 HE2 PHE 61 HE2 PHE 61 27.233 -7.164 -7.164 436 HZ PHE 61 HZ PHE 61 25.406 -8.704 -8.704 437 H ALA 62 HN ALA 62 25.159 -3.378 -3.378 438 HA ALA 62 HA ALA 62 24.420 -1.301 -1.301 439 1HB ALA 62 HB1 ALA 62 23.959 -3.672 -3.672 440 2HB ALA 62 HB3 ALA 62 23.210 -2.169 -2.169 441 3HB ALA 62 HB2 ALA 62 24.953 -2.244 -2.244 442 H GLY 63 HN GLY 63 22.505 -2.062 -2.062 443 1HA GLY 63 HA2 GLY 63 20.304 -0.450 -0.450 444 2HA GLY 63 HA1 GLY 63 19.854 -2.062 -2.062 445 H ARG 64 HN ARG 64 21.702 -3.054 -3.054 446 HA ARG 64 HA ARG 64 19.492 -2.937 -2.937 447 1HB ARG 64 HB2 ARG 64 20.162 -5.195 -5.195 448 2HB ARG 64 HB1 ARG 64 21.863 -4.816 -4.816 449 1HG ARG 64 HG2 ARG 64 20.590 -4.095 -4.095 450 2HG ARG 64 HG1 ARG 64 19.771 -5.584 -5.584 451 1HD ARG 64 HD2 ARG 64 22.723 -5.534 -5.534 452 2HD ARG 64 HD1 ARG 64 22.107 -5.579 -5.579 453 HE ARG 64 HE ARG 64 21.462 -7.637 -7.637 454 1HH1 ARG 64 HH11 ARG 64 19.869 -7.007 -7.007 455 2HH1 ARG 64 HH12 ARG 64 20.412 -8.338 -8.338 456 1HH2 ARG 64 HH21 ARG 64 23.018 -9.167 -9.167 457 2HH2 ARG 64 HH22 ARG 64 22.195 -9.562 -9.562 458 H LEU 65 HN LEU 65 22.809 -2.204 -2.204 459 HA LEU 65 HA LEU 65 23.272 -1.220 -1.220 460 1HB LEU 65 HB2 LEU 65 24.987 -1.847 -1.847 461 2HB LEU 65 HB1 LEU 65 25.553 -0.607 -0.607 462 HG LEU 65 HG LEU 65 25.072 -2.278 -2.278 463 1HD1 LEU 65 HD12 LEU 65 24.344 -3.838 -3.838 464 2HD1 LEU 65 HD11 LEU 65 25.385 -4.686 -4.686 465 3HD1 LEU 65 HD13 LEU 65 23.836 -4.038 -4.038 466 1HD2 LEU 65 HD21 LEU 65 27.332 -1.755 -1.755 467 2HD2 LEU 65 HD23 LEU 65 27.236 -3.117 -3.117 468 3HD2 LEU 65 HD22 LEU 65 27.134 -3.393 -3.393 469 H THR 66 HN THR 66 22.549 0.741 0.741 470 HA THR 66 HA THR 66 21.538 2.655 2.655 471 HB THR 66 HB THR 66 23.230 3.522 3.522 472 HG1 THR 66 HG1 THR 66 20.618 2.438 2.438 473 1HG2 THR 66 HG21 THR 66 20.979 4.550 4.550 474 2HG2 THR 66 HG23 THR 66 20.798 4.756 4.756 475 3HG2 THR 66 HG22 THR 66 22.206 5.426 5.426 476 H ASP 67 HN ASP 67 22.696 4.984 4.984 477 HA ASP 67 HA ASP 67 24.885 4.529 4.529 478 1HB ASP 67 HB2 ASP 67 22.992 6.593 6.593 479 2HB ASP 67 HB1 ASP 67 24.598 7.307 7.307 480 H GLU 68 HN GLU 68 24.611 6.633 6.633 481 HA GLU 68 HA GLU 68 27.423 7.011 7.011 482 1HB GLU 68 HB2 GLU 68 25.181 7.064 7.064 483 2HB GLU 68 HB1 GLU 68 26.792 7.756 7.756 484 1HG GLU 68 HG2 GLU 68 26.433 9.404 9.404 485 2HG GLU 68 HG1 GLU 68 25.009 8.567 8.567 486 H GLN 69 HN GLN 69 25.529 4.275 4.275 487 HA GLN 69 HA GLN 69 27.164 3.017 3.017 488 1HB GLN 69 HB2 GLN 69 24.645 2.378 2.378 489 2HB GLN 69 HB1 GLN 69 25.465 1.104 1.104 490 1HG GLN 69 HG2 GLN 69 23.643 2.309 2.309 491 2HG GLN 69 HG1 GLN 69 25.226 2.397 2.397 492 1HE2 GLN 69 HE22 GLN 69 25.701 5.816 5.816 493 2HE2 GLN 69 HE21 GLN 69 26.516 4.374 4.374 494 H ILE 70 HN ILE 70 26.463 2.849 2.849 495 HA ILE 70 HA ILE 70 28.077 0.487 0.487 496 HB ILE 70 HB ILE 70 26.943 2.715 2.715 497 1HG1 ILE 70 HG12 ILE 70 25.518 0.823 0.823 498 2HG1 ILE 70 HG11 ILE 70 25.689 0.866 0.866 499 1HG2 ILE 70 HG21 ILE 70 28.829 0.510 0.510 500 2HG2 ILE 70 HG23 ILE 70 27.883 1.519 1.519 501 3HG2 ILE 70 HG22 ILE 70 29.131 2.246 2.246 502 1HD1 ILE 70 HD12 ILE 70 27.713 -0.721 -0.721 503 2HD1 ILE 70 HD11 ILE 70 27.007 -0.987 -0.987 504 3HD1 ILE 70 HD13 ILE 70 26.091 -1.400 -1.400 505 H GLN 71 HN GLN 71 28.619 3.709 3.709 506 HA GLN 71 HA GLN 71 31.312 3.887 3.887 507 1HB GLN 71 HB2 GLN 71 29.223 5.669 5.669 508 2HB GLN 71 HB1 GLN 71 30.883 6.149 6.149 509 1HG GLN 71 HG2 GLN 71 30.024 7.142 7.142 510 2HG GLN 71 HG1 GLN 71 31.388 6.067 6.067 511 1HE2 GLN 71 HE22 GLN 71 27.656 5.089 5.089 512 2HE2 GLN 71 HE21 GLN 71 27.864 6.397 6.397 513 H ASP 72 HN ASP 72 29.863 4.822 4.822 514 HA ASP 72 HA ASP 72 32.083 4.735 4.735 515 1HB ASP 72 HB2 ASP 72 29.141 4.445 4.445 516 2HB ASP 72 HB1 ASP 72 30.226 4.168 4.168 517 H VAL 73 HN VAL 73 29.962 2.070 2.070 518 HA VAL 73 HA VAL 73 30.961 0.184 0.184 519 HB VAL 73 HB VAL 73 28.806 0.009 0.009 520 1HG1 VAL 73 HG13 VAL 73 30.467 0.183 0.183 521 2HG1 VAL 73 HG12 VAL 73 30.346 -1.568 -1.568 522 3HG1 VAL 73 HG11 VAL 73 28.889 -0.602 -0.602 523 1HG2 VAL 73 HG22 VAL 73 29.684 -1.768 -1.768 524 2HG2 VAL 73 HG21 VAL 73 28.936 -2.445 -2.445 525 3HG2 VAL 73 HG23 VAL 73 30.692 -2.353 -2.353 526 H ALA 74 HN ALA 74 32.050 1.187 1.187 527 HA ALA 74 HA ALA 74 33.931 -1.021 -1.021 528 1HB ALA 74 HB2 ALA 74 33.163 1.325 1.325 529 2HB ALA 74 HB1 ALA 74 34.910 1.082 1.082 530 3HB ALA 74 HB3 ALA 74 33.845 -0.207 -0.207 531 H ALA 75 HN ALA 75 34.242 2.470 2.470 532 HA ALA 75 HA ALA 75 36.926 2.391 2.391 533 1HB ALA 75 HB1 ALA 75 34.585 4.272 4.272 534 2HB ALA 75 HB3 ALA 75 36.130 4.540 4.540 535 3HB ALA 75 HB2 ALA 75 36.049 4.542 4.542 536 H TYR 76 HN TYR 76 33.890 1.377 1.377 537 HA TYR 76 HA TYR 76 34.329 1.533 1.533 538 1HB TYR 76 HB2 TYR 76 32.049 1.088 1.088 539 2HB TYR 76 HB1 TYR 76 32.645 -0.356 -0.356 540 HD1 TYR 76 HD1 TYR 76 31.998 1.136 1.136 541 HD2 TYR 76 HD2 TYR 76 32.968 -2.401 -2.401 542 HE1 TYR 76 HE1 TYR 76 31.584 -0.140 -0.140 543 HE2 TYR 76 HE2 TYR 76 32.549 -3.733 -3.733 544 HH TYR 76 HH TYR 76 32.231 -3.611 -3.611 545 H VAL 77 HN VAL 77 34.967 -0.944 -0.944 546 HA VAL 77 HA VAL 77 36.046 -2.824 -2.824 547 HB VAL 77 HB VAL 77 36.184 -2.612 -2.612 548 1HG1 VAL 77 HG13 VAL 77 37.713 -4.322 -4.322 549 2HG1 VAL 77 HG12 VAL 77 36.961 -5.162 -5.162 550 3HG1 VAL 77 HG11 VAL 77 38.097 -3.846 -3.846 551 1HG2 VAL 77 HG22 VAL 77 34.442 -3.896 -3.896 552 2HG2 VAL 77 HG21 VAL 77 34.127 -3.521 -3.521 553 3HG2 VAL 77 HG23 VAL 77 34.992 -4.997 -4.997 554 H LEU 78 HN LEU 78 37.245 -0.086 -0.086 555 HA LEU 78 HA LEU 78 40.064 -0.824 -0.824 556 1HB LEU 78 HB2 LEU 78 39.184 1.935 1.935 557 2HB LEU 78 HB1 LEU 78 40.606 1.029 1.029 558 HG LEU 78 HG LEU 78 37.756 0.767 0.767 559 1HD1 LEU 78 HD13 LEU 78 40.239 1.771 1.771 560 2HD1 LEU 78 HD12 LEU 78 39.743 0.393 0.393 561 3HD1 LEU 78 HD11 LEU 78 38.657 1.768 1.768 562 1HD2 LEU 78 HD23 LEU 78 39.797 -1.379 -1.379 563 2HD2 LEU 78 HD22 LEU 78 38.036 -1.495 -1.495 564 3HD2 LEU 78 HD21 LEU 78 38.944 -1.292 -1.292 565 H ASP 79 HN ASP 79 37.556 0.474 0.474 566 HA ASP 79 HA ASP 79 39.283 2.168 2.168 567 1HB ASP 79 HB2 ASP 79 36.781 2.560 2.560 568 2HB ASP 79 HB1 ASP 79 36.417 1.693 1.693 569 H GLN 80 HN GLN 80 37.308 -0.714 -0.714 570 HA GLN 80 HA GLN 80 37.643 -1.275 -1.275 571 1HB GLN 80 HB2 GLN 80 36.784 -3.174 -3.174 572 2HB GLN 80 HB1 GLN 80 36.371 -3.243 -3.243 573 1HG GLN 80 HG2 GLN 80 35.637 -0.726 -0.726 574 2HG GLN 80 HG1 GLN 80 34.772 -2.163 -2.163 575 1HE2 GLN 80 HE22 GLN 80 33.613 -0.494 -0.494 576 2HE2 GLN 80 HE21 GLN 80 34.533 0.296 0.296 577 H ALA 81 HN ALA 81 39.059 -2.474 -2.474 578 HA ALA 81 HA ALA 81 40.581 -4.596 -4.596 579 1HB ALA 81 HB2 ALA 81 40.523 -3.135 -3.135 580 2HB ALA 81 HB1 ALA 81 42.113 -3.764 -3.764 581 3HB ALA 81 HB3 ALA 81 40.736 -4.859 -4.859 582 H ALA 82 HN ALA 82 41.313 -1.160 -1.160 583 HA ALA 82 HA ALA 82 43.992 -1.525 -1.525 584 1HB ALA 82 HB2 ALA 82 42.793 0.331 0.331 585 2HB ALA 82 HB1 ALA 82 43.159 1.234 1.234 586 3HB ALA 82 HB3 ALA 82 44.444 0.379 0.379 587 H LYS 83 HN LYS 83 41.222 -1.682 -1.682 588 HA LYS 83 HA LYS 83 42.408 -0.304 -0.304 589 1HB LYS 83 HB2 LYS 83 40.594 1.146 1.146 590 2HB LYS 83 HB1 LYS 83 40.904 1.326 1.326 591 1HG LYS 83 HG2 LYS 83 39.128 -0.452 -0.452 592 2HG LYS 83 HG1 LYS 83 38.723 -0.306 -0.306 593 1HD LYS 83 HD2 LYS 83 38.730 2.002 2.002 594 2HD LYS 83 HD1 LYS 83 37.286 1.131 1.131 595 1HE LYS 83 HE2 LYS 83 37.248 2.150 2.150 596 2HE LYS 83 HE1 LYS 83 39.002 2.086 2.086 597 1HZ LYS 83 HZ2 LYS 83 38.676 3.826 3.826 598 2HZ LYS 83 HZ1 LYS 83 37.333 4.185 4.185 599 3HZ LYS 83 HZ3 LYS 83 38.898 4.266 4.266 600 H GLY 84 HN GLY 84 41.749 -3.151 -3.151 601 1HA GLY 84 HA2 GLY 84 41.154 -4.872 -4.872 602 2HA GLY 84 HA1 GLY 84 40.419 -3.650 -3.650 603 H TRP 85 HN TRP 85 39.965 -5.288 -5.288 604 HA TRP 85 HA TRP 85 37.416 -4.640 -4.640 605 1HB TRP 85 HB2 TRP 85 39.065 -7.023 -7.023 606 2HB TRP 85 HB1 TRP 85 37.353 -7.423 -7.423 607 HD1 TRP 85 HD1 TRP 85 39.904 -6.586 -6.586 608 HE1 TRP 85 HE1 TRP 85 38.878 -5.616 -5.616 609 HE3 TRP 85 HE3 TRP 85 35.231 -5.562 -5.562 610 HZ2 TRP 85 HZ2 TRP 85 36.386 -4.563 -4.563 611 HZ3 TRP 85 HZ3 TRP 85 33.543 -4.567 -4.567 612 HH2 TRP 85 HH2 TRP 85 34.098 -4.036 -4.036 613 H ALA 86 HN ALA 86 36.235 -4.067 -4.067 614 HA ALA 86 HA ALA 86 34.776 -4.496 -4.496 615 1HB ALA 86 HB3 ALA 86 34.038 -6.039 -6.039 616 2HB ALA 86 HB2 ALA 86 33.811 -7.066 -7.066 617 3HB ALA 86 HB1 ALA 86 33.000 -5.502 -5.502 618 H GLY 87 HN GLY 87 37.555 -5.720 -5.720 619 1HA GLY 87 HA2 GLY 87 38.763 -7.324 -7.324 620 2HA GLY 87 HA1 GLY 87 37.598 -6.891 -6.891 621 HHA HEC 88 HA HEM 88 35.902 -10.904 -10.904 622 HHB HEC 88 HB HEM 88 33.670 -6.052 -6.052 623 HHC HEC 88 HC HEM 88 27.972 -8.838 -8.838 624 HHD HEC 88 HD HEM 88 30.505 -14.047 -14.047 625 1HMA HEC 88 HMA1 HEM 88 37.249 -6.755 -6.755 626 2HMA HEC 88 HMA2 HEM 88 35.712 -5.930 -5.930 627 3HMA HEC 88 HMA3 HEM 88 36.436 -5.650 -5.650 628 1HAA HEC 88 HAA1 HEM 88 37.631 -9.721 -9.721 629 2HAA HEC 88 HAA2 HEM 88 38.014 -8.065 -8.065 630 1HBA HEC 88 HBA1 HEM 88 36.398 -8.503 -8.503 631 2HBA HEC 88 HBA2 HEM 88 37.292 -7.024 -7.024 632 1HMB HEC 88 HMB1 HEM 88 31.197 -5.205 -5.205 633 2HMB HEC 88 HMB2 HEM 88 32.514 -4.912 -4.912 634 3HMB HEC 88 HMB3 HEM 88 30.856 -4.248 -4.248 635 HAB HEC 88 HAB HEM 88 27.731 -6.970 -6.970 636 1HBB HEC 88 HBB1 HEM 88 28.701 -4.217 -4.217 637 2HBB HEC 88 HBB2 HEM 88 27.303 -5.178 -5.178 638 3HBB HEC 88 HBB3 HEM 88 28.974 -5.554 -5.554 639 1HMC HEC 88 HMC1 HEM 88 26.680 -11.008 -11.008 640 2HMC HEC 88 HMC2 HEM 88 26.225 -10.326 -10.326 641 3HMC HEC 88 HMC3 HEM 88 26.087 -12.102 -12.102 642 HAC HEC 88 HAC HEM 88 29.015 -14.559 -14.559 643 1HBC HEC 88 HBC1 HEM 88 26.813 -15.397 -15.397 644 2HBC HEC 88 HBC2 HEM 88 27.135 -14.050 -14.050 645 3HBC HEC 88 HBC3 HEM 88 26.059 -13.778 -13.778 646 1HMD HEC 88 HMD1 HEM 88 32.527 -15.045 -15.045 647 2HMD HEC 88 HMD2 HEM 88 33.517 -15.698 -15.698 648 3HMD HEC 88 HMD3 HEM 88 31.756 -15.365 -15.365 649 1HAD HEC 88 HAD1 HEM 88 35.421 -14.521 -14.521 650 2HAD HEC 88 HAD2 HEM 88 36.249 -12.951 -12.951 651 1HBD HEC 88 HBD1 HEM 88 35.088 -13.986 -13.986 652 2HBD HEC 88 HBD2 HEM 88 34.357 -12.392 -12.392 Start of MODEL 3 1 1H ALA 1 HT2 ALA 1 32.454 8.771 8.771 2 2H ALA 1 HT1 ALA 1 33.704 9.472 9.472 3 3H ALA 1 HT3 ALA 1 33.536 9.858 9.858 4 HA ALA 1 HA ALA 1 31.680 11.170 11.170 5 1HB ALA 1 HB3 ALA 1 33.631 11.395 11.395 6 2HB ALA 1 HB2 ALA 1 32.268 12.505 12.505 7 3HB ALA 1 HB1 ALA 1 33.482 12.426 12.426 8 H ASP 2 HN ASP 2 32.288 9.113 9.113 9 HA ASP 2 HA ASP 2 29.347 9.190 9.190 10 1HB ASP 2 HB2 ASP 2 30.409 8.688 8.688 11 2HB ASP 2 HB1 ASP 2 29.832 10.260 10.260 12 H LEU 3 HN LEU 3 32.293 7.315 7.315 13 HA LEU 3 HA LEU 3 31.272 4.943 4.943 14 1HB LEU 3 HB2 LEU 3 33.346 5.071 5.071 15 2HB LEU 3 HB1 LEU 3 33.149 3.793 3.793 16 HG LEU 3 HG LEU 3 33.409 6.114 6.114 17 1HD1 LEU 3 HD12 LEU 3 34.840 6.342 6.342 18 2HD1 LEU 3 HD11 LEU 3 35.821 6.660 6.660 19 3HD1 LEU 3 HD13 LEU 3 34.360 7.603 7.603 20 1HD2 LEU 3 HD22 LEU 3 35.314 3.914 3.914 21 2HD2 LEU 3 HD21 LEU 3 34.408 4.069 4.069 22 3HD2 LEU 3 HD23 LEU 3 35.770 5.143 5.143 23 H ALA 4 HN ALA 4 30.334 6.463 6.463 24 HA ALA 4 HA ALA 4 29.834 4.250 4.250 25 1HB ALA 4 HB3 ALA 4 29.077 7.033 7.033 26 2HB ALA 4 HB2 ALA 4 27.646 6.059 6.059 27 3HB ALA 4 HB1 ALA 4 29.053 5.956 5.956 28 H ASN 5 HN ASN 5 28.328 5.578 5.578 29 HA ASN 5 HA ASN 5 25.894 4.036 4.036 30 1HB ASN 5 HB2 ASN 5 27.188 6.007 6.007 31 2HB ASN 5 HB1 ASN 5 26.787 4.641 4.641 32 1HD2 ASN 5 HD22 ASN 5 23.745 6.753 6.753 33 2HD2 ASN 5 HD21 ASN 5 25.329 6.854 6.854 34 H GLY 6 HN GLY 6 29.158 3.580 3.580 35 1HA GLY 6 HA2 GLY 6 28.756 1.297 1.297 36 2HA GLY 6 HA1 GLY 6 30.245 1.623 1.623 37 H ALA 7 HN ALA 7 29.850 1.248 1.248 38 HA ALA 7 HA ALA 7 29.552 -1.469 -1.469 39 1HB ALA 7 HB1 ALA 7 29.632 0.942 0.942 40 2HB ALA 7 HB3 ALA 7 28.614 -0.310 -0.310 41 3HB ALA 7 HB2 ALA 7 30.299 -0.659 -0.659 42 H LYS 8 HN LYS 8 27.041 0.973 0.973 43 HA LYS 8 HA LYS 8 24.938 -0.569 -0.569 44 1HB LYS 8 HB2 LYS 8 24.283 1.635 1.635 45 2HB LYS 8 HB1 LYS 8 25.082 1.797 1.797 46 1HG LYS 8 HG2 LYS 8 22.832 -0.134 -0.134 47 2HG LYS 8 HG1 LYS 8 22.380 1.553 1.553 48 1HD LYS 8 HD2 LYS 8 23.901 0.361 0.361 49 2HD LYS 8 HD1 LYS 8 22.300 1.094 1.094 50 1HE LYS 8 HE2 LYS 8 24.049 3.004 3.004 51 2HE LYS 8 HE1 LYS 8 24.858 2.364 2.364 52 1HZ LYS 8 HZ2 LYS 8 22.633 2.709 2.709 53 2HZ LYS 8 HZ1 LYS 8 22.217 3.675 3.675 54 3HZ LYS 8 HZ3 LYS 8 23.539 4.099 4.099 55 H VAL 9 HN VAL 9 26.084 -0.221 -0.221 56 HA VAL 9 HA VAL 9 24.189 -2.159 -2.159 57 HB VAL 9 HB VAL 9 26.676 -0.825 -0.825 58 1HG1 VAL 9 HG13 VAL 9 26.270 -3.198 -3.198 59 2HG1 VAL 9 HG12 VAL 9 24.770 -2.561 -2.561 60 3HG1 VAL 9 HG11 VAL 9 26.319 -1.896 -1.896 61 1HG2 VAL 9 HG23 VAL 9 23.732 -0.426 -0.426 62 2HG2 VAL 9 HG22 VAL 9 25.032 0.765 0.765 63 3HG2 VAL 9 HG21 VAL 9 24.603 -0.137 -0.137 64 H PHE 10 HN PHE 10 27.736 -2.243 -2.243 65 HA PHE 10 HA PHE 10 28.100 -4.959 -4.959 66 1HB PHE 10 HB2 PHE 10 29.964 -3.374 -3.374 67 2HB PHE 10 HB1 PHE 10 29.645 -3.214 -3.214 68 HD1 PHE 10 HD1 PHE 10 29.614 -5.372 -5.372 69 HD2 PHE 10 HD2 PHE 10 31.476 -5.074 -5.074 70 HE1 PHE 10 HE1 PHE 10 30.948 -7.364 -7.364 71 HE2 PHE 10 HE2 PHE 10 32.817 -7.091 -7.091 72 HZ PHE 10 HZ PHE 10 32.563 -8.242 -8.242 73 H SER 11 HN SER 11 26.880 -3.494 -3.494 74 HA SER 11 HA SER 11 27.179 -5.947 -5.947 75 1HB SER 11 HB2 SER 11 27.362 -3.678 -3.678 76 2HB SER 11 HB1 SER 11 25.661 -3.406 -3.406 77 HG SER 11 HG SER 11 26.831 -5.076 -5.076 78 H GLY 12 HN GLY 12 25.387 -5.642 -5.642 79 1HA GLY 12 HA2 GLY 12 23.235 -7.268 -7.268 80 2HA GLY 12 HA1 GLY 12 22.692 -5.684 -5.684 81 H ASN 13 HN ASN 13 25.368 -6.817 -6.817 82 HA ASN 13 HA ASN 13 23.726 -8.307 -8.307 83 1HB ASN 13 HB2 ASN 13 25.152 -5.837 -5.837 84 2HB ASN 13 HB1 ASN 13 23.912 -6.793 -6.793 85 1HD2 ASN 13 HD22 ASN 13 22.785 -3.696 -3.696 86 2HD2 ASN 13 HD21 ASN 13 24.400 -3.976 -3.976 87 H CYS 14 HN CYS 14 26.815 -6.556 -6.556 88 HA CYS 14 HA CYS 14 28.277 -8.475 -8.475 89 1HB CYS 14 HB2 CYS 14 29.560 -6.669 -6.669 90 2HB CYS 14 HB1 CYS 14 30.162 -7.145 -7.145 91 H ALA 15 HN ALA 15 27.426 -8.156 -8.156 92 HA ALA 15 HA ALA 15 29.329 -9.736 -9.736 93 1HB ALA 15 HB1 ALA 15 26.343 -9.574 -9.574 94 2HB ALA 15 HB3 ALA 15 27.470 -10.335 -10.335 95 3HB ALA 15 HB2 ALA 15 27.588 -8.607 -8.607 96 H ALA 16 HN ALA 16 26.480 -10.790 -10.790 97 HA ALA 16 HA ALA 16 26.589 -13.549 -13.549 98 1HB ALA 16 HB1 ALA 16 25.238 -11.855 -11.855 99 2HB ALA 16 HB3 ALA 16 25.815 -13.301 -13.301 100 3HB ALA 16 HB2 ALA 16 24.767 -13.452 -13.452 101 H CYS 17 HN CYS 17 28.485 -11.683 -11.683 102 HA CYS 17 HA CYS 17 29.949 -14.205 -14.205 103 1HB CYS 17 HB2 CYS 17 29.557 -11.800 -11.800 104 2HB CYS 17 HB1 CYS 17 30.468 -13.235 -13.235 105 H HIS 18 HN HIS 18 30.374 -11.900 -11.900 106 HA HIS 18 HA HIS 18 33.275 -11.798 -11.798 107 1HB HIS 18 HB2 HIS 18 31.571 -9.286 -9.286 108 2HB HIS 18 HB1 HIS 18 33.323 -9.297 -9.297 109 HD1 HIS 18 HD1 HIS 18 34.770 -10.092 -10.092 110 HD2 HIS 18 HD2 HIS 18 30.723 -9.945 -9.945 111 HE1 HIS 18 HE1 HIS 18 34.616 -10.326 -10.326 112 H MET 19 HN MET 19 30.861 -9.845 -9.845 113 HA MET 19 HA MET 19 30.816 -9.206 -9.206 114 1HB MET 19 HB2 MET 19 30.696 -11.298 -11.298 115 2HB MET 19 HB1 MET 19 29.515 -11.184 -11.184 116 1HG MET 19 HG2 MET 19 30.916 -12.632 -12.632 117 2HG MET 19 HG1 MET 19 32.131 -12.719 -12.719 118 1HE MET 19 HE3 MET 19 31.508 -12.978 -12.978 119 2HE MET 19 HE2 MET 19 30.180 -13.911 -13.911 120 3HE MET 19 HE1 MET 19 31.602 -14.743 -14.743 121 H GLY 20 HN GLY 20 32.681 -8.068 -8.068 122 1HA GLY 20 HA2 GLY 20 34.726 -7.692 -7.692 123 2HA GLY 20 HA1 GLY 20 34.596 -9.330 -9.330 124 H GLY 21 HN GLY 21 34.782 -8.184 -8.184 125 1HA GLY 21 HA2 GLY 21 36.167 -8.881 -8.881 126 2HA GLY 21 HA1 GLY 21 37.457 -8.747 -8.747 127 H GLY 22 HN GLY 22 34.803 -10.977 -10.977 128 1HA GLY 22 HA2 GLY 22 36.730 -13.221 -13.221 129 2HA GLY 22 HA1 GLY 22 35.240 -13.299 -13.299 130 H ASN 23 HN ASN 23 36.577 -13.351 -13.351 131 HA ASN 23 HA ASN 23 34.127 -13.494 -13.494 132 1HB ASN 23 HB2 ASN 23 36.788 -13.474 -13.474 133 2HB ASN 23 HB1 ASN 23 36.340 -15.143 -15.143 134 1HD2 ASN 23 HD22 ASN 23 34.857 -12.089 -12.089 135 2HD2 ASN 23 HD21 ASN 23 35.769 -11.763 -11.763 136 H VAL 24 HN VAL 24 32.822 -15.239 -15.239 137 HA VAL 24 HA VAL 24 33.299 -17.727 -17.727 138 HB VAL 24 HB VAL 24 30.884 -18.207 -18.207 139 1HG1 VAL 24 HG11 VAL 24 31.947 -16.688 -16.688 140 2HG1 VAL 24 HG13 VAL 24 30.854 -15.512 -15.512 141 3HG1 VAL 24 HG12 VAL 24 30.223 -17.042 -17.042 142 1HG2 VAL 24 HG23 VAL 24 30.783 -16.809 -16.809 143 2HG2 VAL 24 HG22 VAL 24 29.523 -16.371 -16.371 144 3HG2 VAL 24 HG21 VAL 24 30.961 -15.363 -15.363 145 H VAL 25 HN VAL 25 33.481 -16.494 -16.494 146 HA VAL 25 HA VAL 25 33.222 -19.226 -19.226 147 HB VAL 25 HB VAL 25 33.387 -16.528 -16.528 148 1HG1 VAL 25 HG11 VAL 25 33.160 -19.370 -19.370 149 2HG1 VAL 25 HG13 VAL 25 32.433 -18.071 -18.071 150 3HG1 VAL 25 HG12 VAL 25 34.168 -18.067 -18.067 151 1HG2 VAL 25 HG22 VAL 25 31.110 -18.287 -18.287 152 2HG2 VAL 25 HG21 VAL 25 31.267 -16.534 -16.534 153 3HG2 VAL 25 HG23 VAL 25 30.939 -17.289 -17.289 154 H MET 26 HN MET 26 35.320 -16.338 -16.338 155 HA MET 26 HA MET 26 37.567 -18.177 -18.177 156 1HB MET 26 HB2 MET 26 37.092 -15.228 -15.228 157 2HB MET 26 HB1 MET 26 38.699 -15.944 -15.944 158 1HG MET 26 HG2 MET 26 36.326 -17.140 -17.140 159 2HG MET 26 HG1 MET 26 37.220 -15.793 -15.793 160 1HE MET 26 HE2 MET 26 36.542 -18.248 -18.248 161 2HE MET 26 HE1 MET 26 37.975 -18.567 -18.567 162 3HE MET 26 HE3 MET 26 37.482 -19.710 -19.710 163 H ALA 27 HN ALA 27 38.187 -18.839 -18.839 164 HA ALA 27 HA ALA 27 38.357 -17.326 -17.326 165 1HB ALA 27 HB3 ALA 27 40.233 -19.474 -19.474 166 2HB ALA 27 HB2 ALA 27 40.287 -18.834 -18.834 167 3HB ALA 27 HB1 ALA 27 38.851 -19.688 -19.688 168 H ASN 28 HN ASN 28 40.866 -17.605 -17.605 169 HA ASN 28 HA ASN 28 42.689 -15.824 -15.824 170 1HB ASN 28 HB2 ASN 28 43.976 -15.968 -15.968 171 2HB ASN 28 HB1 ASN 28 43.098 -17.499 -17.499 172 1HD2 ASN 28 HD22 ASN 28 40.811 -16.364 -16.364 173 2HD2 ASN 28 HD21 ASN 28 40.736 -17.159 -17.159 174 H LYS 29 HN LYS 29 40.036 -15.313 -15.313 175 HA LYS 29 HA LYS 29 40.683 -12.465 -12.465 176 1HB LYS 29 HB2 LYS 29 39.344 -14.252 -14.252 177 2HB LYS 29 HB1 LYS 29 38.006 -13.388 -13.388 178 1HG LYS 29 HG2 LYS 29 38.446 -12.024 -12.024 179 2HG LYS 29 HG1 LYS 29 39.438 -11.256 -11.256 180 1HD LYS 29 HD2 LYS 29 40.967 -11.475 -11.475 181 2HD LYS 29 HD1 LYS 29 41.277 -12.947 -12.947 182 1HE LYS 29 HE2 LYS 29 40.895 -14.052 -14.052 183 2HE LYS 29 HE1 LYS 29 39.191 -13.684 -13.684 184 1HZ LYS 29 HZ2 LYS 29 39.783 -11.459 -11.459 185 2HZ LYS 29 HZ1 LYS 29 41.136 -12.294 -12.294 186 3HZ LYS 29 HZ3 LYS 29 39.573 -12.835 -12.835 187 H THR 30 HN THR 30 40.555 -11.897 -11.897 188 HA THR 30 HA THR 30 37.726 -11.639 -11.639 189 HB THR 30 HB THR 30 40.196 -11.833 -11.833 190 HG1 THR 30 HG1 THR 30 39.331 -13.742 -13.742 191 1HG2 THR 30 HG22 THR 30 37.244 -11.617 -11.617 192 2HG2 THR 30 HG21 THR 30 38.210 -12.542 -12.542 193 3HG2 THR 30 HG23 THR 30 38.568 -10.838 -10.838 194 H LEU 31 HN LEU 31 37.592 -9.730 -9.730 195 HA LEU 31 HA LEU 31 38.727 -7.393 -7.393 196 1HB LEU 31 HB2 LEU 31 36.973 -7.552 -7.552 197 2HB LEU 31 HB1 LEU 31 37.385 -6.083 -6.083 198 HG LEU 31 HG LEU 31 35.791 -6.418 -6.418 199 1HD1 LEU 31 HD11 LEU 31 37.286 -8.149 -8.149 200 2HD1 LEU 31 HD13 LEU 31 36.377 -9.371 -9.371 201 3HD1 LEU 31 HD12 LEU 31 35.560 -8.361 -8.361 202 1HD2 LEU 31 HD22 LEU 31 35.021 -8.762 -8.762 203 2HD2 LEU 31 HD21 LEU 31 34.506 -7.090 -7.090 204 3HD2 LEU 31 HD23 LEU 31 33.985 -7.991 -7.991 205 H LYS 32 HN LYS 32 39.802 -9.464 -9.464 206 HA LYS 32 HA LYS 32 40.748 -7.939 -7.939 207 1HB LYS 32 HB2 LYS 32 41.464 -10.447 -10.447 208 2HB LYS 32 HB1 LYS 32 42.943 -9.580 -9.580 209 1HG LYS 32 HG2 LYS 32 42.619 -10.186 -10.186 210 2HG LYS 32 HG1 LYS 32 41.193 -9.148 -9.148 211 1HD LYS 32 HD2 LYS 32 40.734 -11.542 -11.542 212 2HD LYS 32 HD1 LYS 32 39.777 -10.971 -10.971 213 1HE LYS 32 HE2 LYS 32 40.721 -12.479 -12.479 214 2HE LYS 32 HE1 LYS 32 42.344 -12.046 -12.046 215 1HZ LYS 32 HZ1 LYS 32 41.283 -13.388 -13.388 216 2HZ LYS 32 HZ3 LYS 32 40.694 -14.252 -14.252 217 3HZ LYS 32 HZ2 LYS 32 42.367 -14.028 -14.028 218 H LYS 33 HN LYS 33 43.193 -7.305 -7.305 219 HA LYS 33 HA LYS 33 43.737 -5.280 -5.280 220 1HB LYS 33 HB2 LYS 33 44.000 -4.648 -4.648 221 2HB LYS 33 HB1 LYS 33 45.138 -5.968 -5.968 222 1HG LYS 33 HG2 LYS 33 46.545 -4.108 -4.108 223 2HG LYS 33 HG1 LYS 33 46.517 -4.866 -4.866 224 1HD LYS 33 HD2 LYS 33 44.277 -3.109 -3.109 225 2HD LYS 33 HD1 LYS 33 45.684 -2.218 -2.218 226 1HE LYS 33 HE2 LYS 33 45.537 -3.761 -3.761 227 2HE LYS 33 HE1 LYS 33 45.442 -2.006 -2.006 228 1HZ LYS 33 HZ3 LYS 33 47.720 -3.317 -3.317 229 2HZ LYS 33 HZ2 LYS 33 47.709 -3.276 -3.276 230 3HZ LYS 33 HZ1 LYS 33 47.635 -1.830 -1.830 231 H GLU 34 HN GLU 34 45.030 -8.386 -8.386 232 HA GLU 34 HA GLU 34 47.479 -8.039 -8.039 233 1HB GLU 34 HB2 GLU 34 47.867 -10.427 -10.427 234 2HB GLU 34 HB1 GLU 34 47.495 -9.438 -9.438 235 1HG GLU 34 HG2 GLU 34 45.527 -10.514 -10.514 236 2HG GLU 34 HG1 GLU 34 45.126 -10.579 -10.579 237 H ALA 35 HN ALA 35 44.301 -9.384 -9.384 238 HA ALA 35 HA ALA 35 45.319 -10.474 -10.474 239 1HB ALA 35 HB1 ALA 35 44.053 -12.020 -12.020 240 2HB ALA 35 HB3 ALA 35 42.650 -10.960 -10.960 241 3HB ALA 35 HB2 ALA 35 43.276 -11.796 -11.796 242 H LEU 36 HN LEU 36 42.910 -8.196 -8.196 243 HA LEU 36 HA LEU 36 41.624 -7.722 -7.722 244 1HB LEU 36 HB2 LEU 36 40.578 -5.930 -5.930 245 2HB LEU 36 HB1 LEU 36 41.032 -6.868 -6.868 246 HG LEU 36 HG LEU 36 43.201 -5.455 -5.455 247 1HD1 LEU 36 HD12 LEU 36 41.661 -4.314 -4.314 248 2HD1 LEU 36 HD11 LEU 36 42.103 -3.098 -3.098 249 3HD1 LEU 36 HD13 LEU 36 43.353 -4.073 -4.073 250 1HD2 LEU 36 HD22 LEU 36 40.454 -4.820 -4.820 251 2HD2 LEU 36 HD21 LEU 36 41.931 -4.890 -4.890 252 3HD2 LEU 36 HD23 LEU 36 41.563 -3.448 -3.448 253 H GLU 37 HN GLU 37 44.530 -6.355 -6.355 254 HA GLU 37 HA GLU 37 45.039 -4.776 -4.776 255 1HB GLU 37 HB2 GLU 37 45.569 -4.351 -4.351 256 2HB GLU 37 HB1 GLU 37 47.139 -4.613 -4.613 257 1HG GLU 37 HG2 GLU 37 45.326 -2.920 -2.920 258 2HG GLU 37 HG1 GLU 37 45.755 -2.226 -2.226 259 H GLN 38 HN GLN 38 45.458 -7.872 -7.872 260 HA GLN 38 HA GLN 38 48.237 -8.373 -8.373 261 1HB GLN 38 HB2 GLN 38 47.174 -10.179 -10.179 262 2HB GLN 38 HB1 GLN 38 45.704 -9.992 -9.992 263 1HG GLN 38 HG2 GLN 38 47.051 -12.005 -12.005 264 2HG GLN 38 HG1 GLN 38 46.806 -10.877 -10.877 265 1HE2 GLN 38 HE22 GLN 38 50.439 -10.127 -10.127 266 2HE2 GLN 38 HE21 GLN 38 49.010 -9.916 -9.916 267 H PHE 39 HN PHE 39 45.272 -8.507 -8.507 268 HA PHE 39 HA PHE 39 46.731 -8.864 -8.864 269 1HB PHE 39 HB2 PHE 39 44.145 -8.425 -8.425 270 2HB PHE 39 HB1 PHE 39 44.831 -9.997 -9.997 271 HD1 PHE 39 HD1 PHE 39 43.221 -7.095 -7.095 272 HD2 PHE 39 HD2 PHE 39 43.799 -11.352 -11.352 273 HE1 PHE 39 HE1 PHE 39 41.602 -7.437 -7.437 274 HE2 PHE 39 HE2 PHE 39 42.181 -11.682 -11.682 275 HZ PHE 39 HZ PHE 39 41.081 -9.725 -9.725 276 H GLY 40 HN GLY 40 44.855 -6.370 -6.370 277 1HA GLY 40 HA2 GLY 40 45.757 -4.045 -4.045 278 2HA GLY 40 HA1 GLY 40 45.858 -4.463 -4.463 279 H MET 41 HN MET 41 43.556 -3.968 -3.968 280 HA MET 41 HA MET 41 41.712 -2.639 -2.639 281 1HB MET 41 HB2 MET 41 39.859 -4.111 -4.111 282 2HB MET 41 HB1 MET 41 41.227 -5.138 -5.138 283 1HG MET 41 HG2 MET 41 40.858 -6.328 -6.328 284 2HG MET 41 HG1 MET 41 41.236 -4.909 -4.909 285 1HE MET 41 HE3 MET 41 40.079 -3.982 -3.982 286 2HE MET 41 HE2 MET 41 38.343 -3.788 -3.788 287 3HE MET 41 HE1 MET 41 39.118 -5.283 -5.283 288 H TYR 42 HN TYR 42 43.275 -2.260 -2.260 289 HA TYR 42 HA TYR 42 41.381 -2.029 -2.029 290 1HB TYR 42 HB2 TYR 42 43.814 -2.377 -2.377 291 2HB TYR 42 HB1 TYR 42 44.132 -0.803 -0.803 292 HD1 TYR 42 HD1 TYR 42 43.224 1.278 1.278 293 HD2 TYR 42 HD2 TYR 42 43.271 -2.609 -2.609 294 HE1 TYR 42 HE1 TYR 42 42.969 2.323 2.323 295 HE2 TYR 42 HE2 TYR 42 43.015 -1.562 -1.562 296 HH TYR 42 HH TYR 42 42.740 1.978 1.978 297 H SER 43 HN SER 43 41.496 -0.359 -0.359 298 HA SER 43 HA SER 43 40.886 2.266 2.266 299 1HB SER 43 HB2 SER 43 42.202 1.461 1.461 300 2HB SER 43 HB1 SER 43 40.833 2.504 2.504 301 HG SER 43 HG SER 43 42.982 3.482 3.482 302 H GLU 44 HN GLU 44 39.006 3.430 3.430 303 HA GLU 44 HA GLU 44 36.572 2.082 2.082 304 1HB GLU 44 HB2 GLU 44 37.398 4.783 4.783 305 2HB GLU 44 HB1 GLU 44 35.733 4.239 4.239 306 1HG GLU 44 HG2 GLU 44 35.345 4.899 4.899 307 2HG GLU 44 HG1 GLU 44 36.427 3.615 3.615 308 H ASP 45 HN ASP 45 37.863 3.614 3.614 309 HA ASP 45 HA ASP 45 36.079 2.548 2.548 310 1HB ASP 45 HB2 ASP 45 37.956 4.137 4.137 311 2HB ASP 45 HB1 ASP 45 39.007 2.729 2.729 312 H ALA 46 HN ALA 46 38.752 0.812 0.812 313 HA ALA 46 HA ALA 46 38.664 -1.461 -1.461 314 1HB ALA 46 HB2 ALA 46 40.594 -0.933 -0.933 315 2HB ALA 46 HB1 ALA 46 39.601 -1.346 -1.346 316 3HB ALA 46 HB3 ALA 46 40.014 -2.585 -2.585 317 H ILE 47 HN ILE 47 37.828 -1.558 -1.558 318 HA ILE 47 HA ILE 47 36.175 -3.859 -3.859 319 HB ILE 47 HB ILE 47 37.165 -3.007 -3.007 320 1HG1 ILE 47 HG12 ILE 47 34.140 -3.126 -3.126 321 2HG1 ILE 47 HG11 ILE 47 35.210 -4.522 -4.522 322 1HG2 ILE 47 HG21 ILE 47 35.550 -0.675 -0.675 323 2HG2 ILE 47 HG23 ILE 47 35.380 -1.157 -1.157 324 3HG2 ILE 47 HG22 ILE 47 36.974 -0.775 -0.775 325 1HD1 ILE 47 HD13 ILE 47 36.322 -3.254 -3.254 326 2HD1 ILE 47 HD12 ILE 47 34.814 -2.340 -2.340 327 3HD1 ILE 47 HD11 ILE 47 34.791 -4.081 -4.081 328 H ILE 48 HN ILE 48 35.604 -0.608 -0.608 329 HA ILE 48 HA ILE 48 32.714 -0.620 -0.620 330 HB ILE 48 HB ILE 48 34.702 1.143 1.143 331 1HG1 ILE 48 HG12 ILE 48 32.674 1.677 1.677 332 2HG1 ILE 48 HG11 ILE 48 34.391 1.391 1.391 333 1HG2 ILE 48 HG22 ILE 48 31.739 0.967 0.967 334 2HG2 ILE 48 HG21 ILE 48 32.473 2.570 2.570 335 3HG2 ILE 48 HG23 ILE 48 32.973 1.416 1.416 336 1HD1 ILE 48 HD11 ILE 48 34.932 3.358 3.358 337 2HD1 ILE 48 HD13 ILE 48 33.210 3.648 3.648 338 3HD1 ILE 48 HD12 ILE 48 33.907 3.806 3.806 339 H TYR 49 HN TYR 49 35.079 -1.433 -1.433 340 HA TYR 49 HA TYR 49 33.184 -1.850 -1.850 341 1HB TYR 49 HB2 TYR 49 35.602 -1.452 -1.452 342 2HB TYR 49 HB1 TYR 49 35.962 -3.011 -3.011 343 HD1 TYR 49 HD1 TYR 49 35.206 -5.116 -5.116 344 HD2 TYR 49 HD2 TYR 49 34.617 -1.306 -1.306 345 HE1 TYR 49 HE1 TYR 49 34.720 -6.256 -6.256 346 HE2 TYR 49 HE2 TYR 49 34.132 -2.443 -2.443 347 HH TYR 49 HH TYR 49 34.569 -4.571 -4.571 348 H GLN 50 HN GLN 50 34.436 -3.886 -3.886 349 HA GLN 50 HA GLN 50 33.037 -6.179 -6.179 350 1HB GLN 50 HB2 GLN 50 33.872 -7.385 -7.385 351 2HB GLN 50 HB1 GLN 50 34.996 -7.058 -7.058 352 1HG GLN 50 HG2 GLN 50 34.619 -5.034 -5.034 353 2HG GLN 50 HG1 GLN 50 35.649 -6.427 -6.427 354 1HE2 GLN 50 HE22 GLN 50 38.195 -4.388 -4.388 355 2HE2 GLN 50 HE21 GLN 50 37.591 -5.003 -5.003 356 H VAL 51 HN VAL 51 32.427 -3.705 -3.705 357 HA VAL 51 HA VAL 51 30.388 -5.180 -5.180 358 HB VAL 51 HB VAL 51 31.188 -2.261 -2.261 359 1HG1 VAL 51 HG11 VAL 51 29.098 -3.715 -3.715 360 2HG1 VAL 51 HG13 VAL 51 29.726 -2.123 -2.123 361 3HG1 VAL 51 HG12 VAL 51 28.848 -2.348 -2.348 362 1HG2 VAL 51 HG21 VAL 51 32.612 -4.206 -4.206 363 2HG2 VAL 51 HG23 VAL 51 32.382 -2.668 -2.668 364 3HG2 VAL 51 HG22 VAL 51 31.395 -4.064 -4.064 365 H GLN 52 HN GLN 52 30.665 -3.170 -3.170 366 HA GLN 52 HA GLN 52 27.748 -2.684 -2.684 367 1HB GLN 52 HB2 GLN 52 30.173 -1.502 -1.502 368 2HB GLN 52 HB1 GLN 52 28.795 -1.532 -1.532 369 1HG GLN 52 HG2 GLN 52 27.619 -0.696 -0.696 370 2HG GLN 52 HG1 GLN 52 29.217 0.036 0.036 371 1HE2 GLN 52 HE22 GLN 52 28.448 1.483 1.483 372 2HE2 GLN 52 HE21 GLN 52 29.415 0.148 0.148 373 H HIS 53 HN HIS 53 30.031 -4.929 -4.929 374 HA HIS 53 HA HIS 53 28.121 -5.934 -5.934 375 1HB HIS 53 HB2 HIS 53 30.913 -6.065 -6.065 376 2HB HIS 53 HB1 HIS 53 29.482 -5.792 -5.792 377 HD1 HIS 53 HD1 HIS 53 29.861 -3.661 -3.661 378 HD2 HIS 53 HD2 HIS 53 30.910 -3.344 -3.344 379 HE1 HIS 53 HE1 HIS 53 30.475 -1.236 -1.236 380 H GLY 54 HN GLY 54 29.602 -6.515 -6.515 381 1HA GLY 54 HA2 GLY 54 30.477 -8.434 -8.434 382 2HA GLY 54 HA1 GLY 54 29.534 -9.303 -9.303 383 H LYS 55 HN LYS 55 30.923 -10.697 -10.697 384 HA LYS 55 HA LYS 55 32.702 -10.388 -10.388 385 1HB LYS 55 HB2 LYS 55 33.899 -9.353 -9.353 386 2HB LYS 55 HB1 LYS 55 34.905 -10.547 -10.547 387 1HG LYS 55 HG2 LYS 55 34.795 -9.305 -9.305 388 2HG LYS 55 HG1 LYS 55 33.613 -8.174 -8.174 389 1HD LYS 55 HD2 LYS 55 35.287 -6.886 -6.886 390 2HD LYS 55 HD1 LYS 55 35.859 -8.218 -8.218 391 1HE LYS 55 HE2 LYS 55 37.167 -9.100 -9.100 392 2HE LYS 55 HE1 LYS 55 36.575 -7.794 -7.794 393 1HZ LYS 55 HZ2 LYS 55 38.059 -7.340 -7.340 394 2HZ LYS 55 HZ1 LYS 55 38.808 -7.412 -7.412 395 3HZ LYS 55 HZ3 LYS 55 37.673 -6.195 -6.195 396 H ASN 56 HN ASN 56 33.098 -12.418 -12.418 397 HA ASN 56 HA ASN 56 33.378 -14.733 -14.733 398 1HB ASN 56 HB2 ASN 56 34.496 -14.085 -14.085 399 2HB ASN 56 HB1 ASN 56 34.644 -15.651 -15.651 400 1HD2 ASN 56 HD22 ASN 56 36.885 -12.475 -12.475 401 2HD2 ASN 56 HD21 ASN 56 35.563 -12.200 -12.200 402 H ALA 57 HN ALA 57 32.875 -14.555 -14.555 403 HA ALA 57 HA ALA 57 30.141 -15.697 -15.697 404 1HB ALA 57 HB3 ALA 57 32.353 -16.932 -16.932 405 2HB ALA 57 HB2 ALA 57 31.355 -16.390 -16.390 406 3HB ALA 57 HB1 ALA 57 30.671 -17.451 -17.451 407 H MET 58 HN MET 58 31.012 -12.866 -12.866 408 HA MET 58 HA MET 58 29.848 -12.403 -12.403 409 1HB MET 58 HB2 MET 58 32.086 -11.420 -11.420 410 2HB MET 58 HB1 MET 58 31.403 -10.490 -10.490 411 1HG MET 58 HG2 MET 58 29.836 -9.397 -9.397 412 2HG MET 58 HG1 MET 58 30.517 -10.330 -10.330 413 1HE MET 58 HE3 MET 58 30.526 -7.957 -7.957 414 2HE MET 58 HE2 MET 58 31.646 -6.665 -6.665 415 3HE MET 58 HE1 MET 58 30.279 -7.025 -7.025 416 HA PRO 59 HA PRO 59 26.227 -10.843 -10.843 417 1HB PRO 59 HB2 PRO 59 25.056 -9.845 -9.845 418 2HB PRO 59 HB1 PRO 59 25.108 -11.567 -11.567 419 1HG PRO 59 HG2 PRO 59 26.620 -10.048 -10.048 420 2HG PRO 59 HG1 PRO 59 26.259 -11.775 -11.775 421 1HD PRO 59 HD2 PRO 59 28.722 -10.498 -10.498 422 2HD PRO 59 HD1 PRO 59 28.317 -12.213 -12.213 423 H ALA 60 HN ALA 60 26.876 -8.953 -8.953 424 HA ALA 60 HA ALA 60 27.798 -6.477 -6.477 425 1HB ALA 60 HB3 ALA 60 26.912 -7.247 -7.247 426 2HB ALA 60 HB2 ALA 60 25.308 -6.813 -6.813 427 3HB ALA 60 HB1 ALA 60 26.550 -5.575 -5.575 428 H PHE 61 HN PHE 61 26.719 -4.449 -4.449 429 HA PHE 61 HA PHE 61 24.152 -4.826 -4.826 430 1HB PHE 61 HB2 PHE 61 26.642 -3.664 -3.664 431 2HB PHE 61 HB1 PHE 61 25.036 -3.403 -3.403 432 HD1 PHE 61 HD1 PHE 61 23.912 -6.176 -6.176 433 HD2 PHE 61 HD2 PHE 61 27.529 -4.941 -4.941 434 HE1 PHE 61 HE1 PHE 61 24.031 -8.360 -8.360 435 HE2 PHE 61 HE2 PHE 61 27.655 -7.120 -7.120 436 HZ PHE 61 HZ PHE 61 25.903 -8.830 -8.830 437 H ALA 62 HN ALA 62 25.174 -3.435 -3.435 438 HA ALA 62 HA ALA 62 25.022 -0.629 -0.629 439 1HB ALA 62 HB1 ALA 62 25.493 -2.246 -2.246 440 2HB ALA 62 HB3 ALA 62 23.899 -1.588 -1.588 441 3HB ALA 62 HB2 ALA 62 25.257 -0.500 -0.500 442 H GLY 63 HN GLY 63 22.652 -2.979 -2.979 443 1HA GLY 63 HA2 GLY 63 20.552 -0.907 -0.907 444 2HA GLY 63 HA1 GLY 63 20.269 -2.324 -2.324 445 H ARG 64 HN ARG 64 22.223 -2.937 -2.937 446 HA ARG 64 HA ARG 64 19.961 -4.387 -4.387 447 1HB ARG 64 HB2 ARG 64 22.444 -5.214 -5.214 448 2HB ARG 64 HB1 ARG 64 22.697 -4.951 -4.951 449 1HG ARG 64 HG2 ARG 64 20.623 -6.727 -6.727 450 2HG ARG 64 HG1 ARG 64 21.953 -7.227 -7.227 451 1HD ARG 64 HD2 ARG 64 20.941 -6.343 -6.343 452 2HD ARG 64 HD1 ARG 64 19.904 -5.267 -5.267 453 HE ARG 64 HE ARG 64 18.419 -7.109 -7.109 454 1HH1 ARG 64 HH11 ARG 64 20.782 -9.102 -9.102 455 2HH1 ARG 64 HH12 ARG 64 20.429 -10.165 -10.165 456 1HH2 ARG 64 HH21 ARG 64 18.172 -7.995 -7.995 457 2HH2 ARG 64 HH22 ARG 64 18.952 -9.537 -9.537 458 H LEU 65 HN LEU 65 22.982 -2.757 -2.757 459 HA LEU 65 HA LEU 65 22.382 -2.134 -2.134 460 1HB LEU 65 HB2 LEU 65 24.425 -1.322 -1.322 461 2HB LEU 65 HB1 LEU 65 24.301 -0.385 -0.385 462 HG LEU 65 HG LEU 65 24.840 -2.242 -2.242 463 1HD1 LEU 65 HD11 LEU 65 24.019 -3.844 -3.844 464 2HD1 LEU 65 HD13 LEU 65 25.124 -4.550 -4.550 465 3HD1 LEU 65 HD12 LEU 65 23.517 -4.023 -4.023 466 1HD2 LEU 65 HD21 LEU 65 26.612 -1.339 -1.339 467 2HD2 LEU 65 HD23 LEU 65 27.002 -2.654 -2.654 468 3HD2 LEU 65 HD22 LEU 65 26.527 -3.012 -3.012 469 H THR 66 HN THR 66 22.984 0.641 0.641 470 HA THR 66 HA THR 66 20.368 1.687 1.687 471 HB THR 66 HB THR 66 22.342 2.550 2.550 472 HG1 THR 66 HG1 THR 66 19.514 2.378 2.378 473 1HG2 THR 66 HG22 THR 66 20.631 4.306 4.306 474 2HG2 THR 66 HG21 THR 66 20.506 4.550 4.550 475 3HG2 THR 66 HG23 THR 66 22.071 4.693 4.693 476 H ASP 67 HN ASP 67 23.729 2.820 2.820 477 HA ASP 67 HA ASP 67 24.434 3.397 3.397 478 1HB ASP 67 HB2 ASP 67 22.200 5.174 5.174 479 2HB ASP 67 HB1 ASP 67 23.573 5.987 5.987 480 H GLU 68 HN GLU 68 23.748 5.357 5.357 481 HA GLU 68 HA GLU 68 26.328 6.662 6.662 482 1HB GLU 68 HB2 GLU 68 24.231 6.170 6.170 483 2HB GLU 68 HB1 GLU 68 25.608 7.270 7.270 484 1HG GLU 68 HG2 GLU 68 24.572 8.882 8.882 485 2HG GLU 68 HG1 GLU 68 24.123 7.745 7.745 486 H GLN 69 HN GLN 69 25.435 3.509 3.509 487 HA GLN 69 HA GLN 69 27.595 2.950 2.950 488 1HB GLN 69 HB2 GLN 69 25.874 0.710 0.710 489 2HB GLN 69 HB1 GLN 69 26.262 1.479 1.479 490 1HG GLN 69 HG2 GLN 69 24.157 2.395 2.395 491 2HG GLN 69 HG1 GLN 69 23.843 1.622 1.622 492 1HE2 GLN 69 HE22 GLN 69 25.648 4.951 4.951 493 2HE2 GLN 69 HE21 GLN 69 26.454 3.505 3.505 494 H ILE 70 HN ILE 70 26.348 2.442 2.442 495 HA ILE 70 HA ILE 70 28.083 0.258 0.258 496 HB ILE 70 HB ILE 70 27.007 2.640 2.640 497 1HG1 ILE 70 HG12 ILE 70 25.433 0.803 0.803 498 2HG1 ILE 70 HG11 ILE 70 25.626 0.959 0.959 499 1HG2 ILE 70 HG21 ILE 70 29.215 1.993 1.993 500 2HG2 ILE 70 HG23 ILE 70 28.663 0.324 0.324 501 3HG2 ILE 70 HG22 ILE 70 27.915 1.583 1.583 502 1HD1 ILE 70 HD12 ILE 70 27.575 -0.840 -0.840 503 2HD1 ILE 70 HD11 ILE 70 25.903 -1.395 -1.395 504 3HD1 ILE 70 HD13 ILE 70 26.656 -1.059 -1.059 505 H GLN 71 HN GLN 71 28.389 3.541 3.541 506 HA GLN 71 HA GLN 71 31.166 3.865 3.865 507 1HB GLN 71 HB2 GLN 71 28.873 5.522 5.522 508 2HB GLN 71 HB1 GLN 71 30.485 6.116 6.116 509 1HG GLN 71 HG2 GLN 71 29.721 7.013 7.013 510 2HG GLN 71 HG1 GLN 71 31.105 5.946 5.946 511 1HE2 GLN 71 HE22 GLN 71 27.391 4.755 4.755 512 2HE2 GLN 71 HE21 GLN 71 27.520 6.008 6.008 513 H ASP 72 HN ASP 72 29.357 4.744 4.744 514 HA ASP 72 HA ASP 72 31.361 4.862 4.862 515 1HB ASP 72 HB2 ASP 72 28.472 4.178 4.178 516 2HB ASP 72 HB1 ASP 72 29.419 3.756 3.756 517 H VAL 73 HN VAL 73 29.572 1.954 1.954 518 HA VAL 73 HA VAL 73 30.848 0.138 0.138 519 HB VAL 73 HB VAL 73 28.743 -0.085 -0.085 520 1HG1 VAL 73 HG12 VAL 73 30.369 0.020 0.020 521 2HG1 VAL 73 HG11 VAL 73 30.781 -1.640 -1.640 522 3HG1 VAL 73 HG13 VAL 73 29.124 -1.228 -1.228 523 1HG2 VAL 73 HG21 VAL 73 29.533 -1.672 -1.672 524 2HG2 VAL 73 HG23 VAL 73 28.815 -2.474 -2.474 525 3HG2 VAL 73 HG22 VAL 73 30.569 -2.429 -2.429 526 H ALA 74 HN ALA 74 31.746 1.245 1.245 527 HA ALA 74 HA ALA 74 33.901 -0.646 -0.646 528 1HB ALA 74 HB3 ALA 74 33.017 1.846 1.846 529 2HB ALA 74 HB2 ALA 74 34.739 1.480 1.480 530 3HB ALA 74 HB1 ALA 74 33.544 0.315 0.315 531 H ALA 75 HN ALA 75 33.956 2.840 2.840 532 HA ALA 75 HA ALA 75 36.606 2.949 2.949 533 1HB ALA 75 HB3 ALA 75 34.108 4.598 4.598 534 2HB ALA 75 HB2 ALA 75 35.499 4.919 4.919 535 3HB ALA 75 HB1 ALA 75 35.658 5.061 5.061 536 H TYR 76 HN TYR 76 33.686 1.598 1.598 537 HA TYR 76 HA TYR 76 34.201 1.686 1.686 538 1HB TYR 76 HB2 TYR 76 31.944 1.148 1.148 539 2HB TYR 76 HB1 TYR 76 32.581 -0.317 -0.317 540 HD1 TYR 76 HD1 TYR 76 31.759 1.317 1.317 541 HD2 TYR 76 HD2 TYR 76 33.136 -2.262 -2.262 542 HE1 TYR 76 HE1 TYR 76 31.380 0.159 0.159 543 HE2 TYR 76 HE2 TYR 76 32.750 -3.463 -3.463 544 HH TYR 76 HH TYR 76 32.181 -1.841 -1.841 545 H VAL 77 HN VAL 77 34.850 -0.691 -0.691 546 HA VAL 77 HA VAL 77 36.123 -2.528 -2.528 547 HB VAL 77 HB VAL 77 36.261 -2.258 -2.258 548 1HG1 VAL 77 HG13 VAL 77 37.586 -4.095 -4.095 549 2HG1 VAL 77 HG12 VAL 77 36.887 -4.839 -4.839 550 3HG1 VAL 77 HG11 VAL 77 38.109 -3.579 -3.579 551 1HG2 VAL 77 HG23 VAL 77 34.389 -3.492 -3.492 552 2HG2 VAL 77 HG22 VAL 77 34.132 -3.023 -3.023 553 3HG2 VAL 77 HG21 VAL 77 34.900 -4.566 -4.566 554 H LEU 78 HN LEU 78 37.077 0.379 0.379 555 HA LEU 78 HA LEU 78 39.951 -0.238 -0.238 556 1HB LEU 78 HB2 LEU 78 38.878 2.537 2.537 557 2HB LEU 78 HB1 LEU 78 40.337 1.798 1.798 558 HG LEU 78 HG LEU 78 37.474 1.355 1.355 559 1HD1 LEU 78 HD11 LEU 78 39.627 2.952 2.952 560 2HD1 LEU 78 HD13 LEU 78 39.446 1.639 1.639 561 3HD1 LEU 78 HD12 LEU 78 38.076 2.687 2.687 562 1HD2 LEU 78 HD23 LEU 78 39.714 -0.524 -0.524 563 2HD2 LEU 78 HD22 LEU 78 38.005 -0.810 -0.810 564 3HD2 LEU 78 HD21 LEU 78 39.064 -0.223 -0.223 565 H ASP 79 HN ASP 79 37.449 0.739 0.739 566 HA ASP 79 HA ASP 79 39.184 2.289 2.289 567 1HB ASP 79 HB2 ASP 79 36.607 2.636 2.636 568 2HB ASP 79 HB1 ASP 79 36.384 1.648 1.648 569 H GLN 80 HN GLN 80 37.080 -0.532 -0.532 570 HA GLN 80 HA GLN 80 37.600 -1.484 -1.484 571 1HB GLN 80 HB2 GLN 80 36.950 -3.239 -3.239 572 2HB GLN 80 HB1 GLN 80 36.490 -3.463 -3.463 573 1HG GLN 80 HG2 GLN 80 35.162 -1.938 -1.938 574 2HG GLN 80 HG1 GLN 80 34.491 -2.657 -2.657 575 1HE2 GLN 80 HE22 GLN 80 35.507 0.363 0.363 576 2HE2 GLN 80 HE21 GLN 80 35.894 -1.288 -1.288 577 H ALA 81 HN ALA 81 38.909 -2.436 -2.436 578 HA ALA 81 HA ALA 81 40.844 -4.263 -4.263 579 1HB ALA 81 HB1 ALA 81 39.845 -3.799 -3.799 580 2HB ALA 81 HB3 ALA 81 41.522 -3.263 -3.263 581 3HB ALA 81 HB2 ALA 81 41.151 -4.908 -4.908 582 H ALA 82 HN ALA 82 40.684 -0.896 -0.896 583 HA ALA 82 HA ALA 82 43.420 -0.265 -0.265 584 1HB ALA 82 HB1 ALA 82 41.028 1.155 1.155 585 2HB ALA 82 HB3 ALA 82 42.141 1.656 1.656 586 3HB ALA 82 HB2 ALA 82 42.604 1.829 1.829 587 H LYS 83 HN LYS 83 41.982 -1.856 -1.856 588 HA LYS 83 HA LYS 83 44.418 -1.925 -1.925 589 1HB LYS 83 HB2 LYS 83 43.741 -0.544 -0.544 590 2HB LYS 83 HB1 LYS 83 43.942 0.414 0.414 591 1HG LYS 83 HG2 LYS 83 41.231 -0.667 -0.667 592 2HG LYS 83 HG1 LYS 83 41.693 0.415 0.415 593 1HD LYS 83 HD2 LYS 83 42.625 1.641 1.641 594 2HD LYS 83 HD1 LYS 83 40.998 1.068 1.068 595 1HE LYS 83 HE2 LYS 83 41.166 2.272 2.272 596 2HE LYS 83 HE1 LYS 83 41.637 3.401 3.401 597 1HZ LYS 83 HZ2 LYS 83 39.154 1.774 1.774 598 2HZ LYS 83 HZ1 LYS 83 39.229 3.393 3.393 599 3HZ LYS 83 HZ3 LYS 83 39.592 2.996 2.996 600 H GLY 84 HN GLY 84 42.995 -4.101 -4.101 601 1HA GLY 84 HA2 GLY 84 42.316 -5.928 -5.928 602 2HA GLY 84 HA1 GLY 84 41.933 -4.779 -4.779 603 H TRP 85 HN TRP 85 40.870 -5.871 -5.871 604 HA TRP 85 HA TRP 85 38.441 -4.681 -4.681 605 1HB TRP 85 HB2 TRP 85 39.646 -7.141 -7.141 606 2HB TRP 85 HB1 TRP 85 37.980 -7.487 -7.487 607 HD1 TRP 85 HD1 TRP 85 39.987 -6.289 -6.289 608 HE1 TRP 85 HE1 TRP 85 38.477 -5.205 -5.205 609 HE3 TRP 85 HE3 TRP 85 35.708 -5.806 -5.806 610 HZ2 TRP 85 HZ2 TRP 85 35.795 -4.263 -4.263 611 HZ3 TRP 85 HZ3 TRP 85 33.690 -4.797 -4.797 612 HH2 TRP 85 HH2 TRP 85 33.714 -3.984 -3.984 613 H ALA 86 HN ALA 86 37.610 -4.117 -4.117 614 HA ALA 86 HA ALA 86 36.379 -4.477 -4.477 615 1HB ALA 86 HB1 ALA 86 34.979 -6.230 -6.230 616 2HB ALA 86 HB3 ALA 86 34.309 -5.859 -5.859 617 3HB ALA 86 HB2 ALA 86 34.586 -4.564 -4.564 618 H GLY 87 HN GLY 87 38.708 -6.233 -6.233 619 1HA GLY 87 HA2 GLY 87 39.618 -8.260 -8.260 620 2HA GLY 87 HA1 GLY 87 38.643 -7.873 -7.873 621 HHA HEC 88 HA HEM 88 36.185 -10.306 -10.306 622 HHB HEC 88 HB HEM 88 33.850 -5.606 -5.606 623 HHC HEC 88 HC HEM 88 28.155 -8.443 -8.443 624 HHD HEC 88 HD HEM 88 30.763 -13.504 -13.504 625 1HMA HEC 88 HMA1 HEM 88 35.935 -5.549 -5.549 626 2HMA HEC 88 HMA2 HEM 88 36.722 -5.184 -5.184 627 3HMA HEC 88 HMA3 HEM 88 37.468 -6.382 -6.382 628 1HAA HEC 88 HAA1 HEM 88 37.930 -9.246 -9.246 629 2HAA HEC 88 HAA2 HEM 88 38.255 -7.525 -7.525 630 1HBA HEC 88 HBA1 HEM 88 36.740 -8.301 -8.301 631 2HBA HEC 88 HBA2 HEM 88 37.548 -6.733 -6.733 632 1HMB HEC 88 HMB1 HEM 88 31.522 -4.862 -4.862 633 2HMB HEC 88 HMB2 HEM 88 30.848 -3.881 -3.881 634 3HMB HEC 88 HMB3 HEM 88 32.590 -4.367 -4.367 635 HAB HEC 88 HAB HEM 88 27.891 -6.607 -6.607 636 1HBB HEC 88 HBB1 HEM 88 28.780 -3.734 -3.734 637 2HBB HEC 88 HBB2 HEM 88 27.437 -4.608 -4.608 638 3HBB HEC 88 HBB3 HEM 88 29.134 -4.797 -4.797 639 1HMC HEC 88 HMC1 HEM 88 26.752 -11.453 -11.453 640 2HMC HEC 88 HMC2 HEM 88 26.182 -11.088 -11.088 641 3HMC HEC 88 HMC3 HEM 88 26.717 -9.745 -9.745 642 HAC HEC 88 HAC HEM 88 29.257 -14.109 -14.109 643 1HBC HEC 88 HBC1 HEM 88 26.324 -13.227 -13.227 644 2HBC HEC 88 HBC2 HEM 88 27.410 -13.664 -13.664 645 3HBC HEC 88 HBC3 HEM 88 26.964 -14.908 -14.908 646 1HMD HEC 88 HMD1 HEM 88 33.828 -15.105 -15.105 647 2HMD HEC 88 HMD2 HEM 88 32.062 -14.799 -14.799 648 3HMD HEC 88 HMD3 HEM 88 32.843 -14.405 -14.405 649 1HAD HEC 88 HAD1 HEM 88 35.961 -13.827 -13.827 650 2HAD HEC 88 HAD2 HEM 88 36.507 -12.119 -12.119 651 1HBD HEC 88 HBD1 HEM 88 36.275 -13.531 -13.531 652 2HBD HEC 88 HBD2 HEM 88 34.487 -13.371 -13.371 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 31.036 12.328 12.328 2 2H ALA 1 HT3 ALA 1 32.655 12.180 12.180 3 3H ALA 1 HT2 ALA 1 32.272 12.330 12.330 4 HA ALA 1 HA ALA 1 32.814 10.047 10.047 5 1HB ALA 1 HB3 ALA 1 31.106 10.645 10.645 6 2HB ALA 1 HB2 ALA 1 30.706 9.115 9.115 7 3HB ALA 1 HB1 ALA 1 32.342 9.401 9.401 8 H ASP 2 HN ASP 2 32.072 8.990 8.990 9 HA ASP 2 HA ASP 2 29.167 9.230 9.230 10 1HB ASP 2 HB2 ASP 2 31.469 9.317 9.317 11 2HB ASP 2 HB1 ASP 2 29.753 9.313 9.313 12 H LEU 3 HN LEU 3 32.060 7.248 7.248 13 HA LEU 3 HA LEU 3 31.004 5.045 5.045 14 1HB LEU 3 HB2 LEU 3 33.009 4.837 4.837 15 2HB LEU 3 HB1 LEU 3 32.839 3.765 3.765 16 HG LEU 3 HG LEU 3 33.185 6.484 6.484 17 1HD1 LEU 3 HD11 LEU 3 34.412 6.268 6.268 18 2HD1 LEU 3 HD13 LEU 3 35.667 5.573 5.573 19 3HD1 LEU 3 HD12 LEU 3 35.086 7.211 7.211 20 1HD2 LEU 3 HD23 LEU 3 34.489 3.808 3.808 21 2HD2 LEU 3 HD22 LEU 3 33.777 4.856 4.856 22 3HD2 LEU 3 HD21 LEU 3 35.366 5.233 5.233 23 H ALA 4 HN ALA 4 29.942 6.312 6.312 24 HA ALA 4 HA ALA 4 29.362 3.985 3.985 25 1HB ALA 4 HB3 ALA 4 28.458 6.770 6.770 26 2HB ALA 4 HB2 ALA 4 27.148 5.658 5.658 27 3HB ALA 4 HB1 ALA 4 28.610 5.688 5.688 28 H ASN 5 HN ASN 5 28.179 5.365 5.365 29 HA ASN 5 HA ASN 5 25.737 3.802 3.802 30 1HB ASN 5 HB2 ASN 5 27.101 5.939 5.939 31 2HB ASN 5 HB1 ASN 5 26.634 4.690 4.690 32 1HD2 ASN 5 HD22 ASN 5 23.542 6.558 6.558 33 2HD2 ASN 5 HD21 ASN 5 25.024 6.419 6.419 34 H GLY 6 HN GLY 6 29.096 3.630 3.630 35 1HA GLY 6 HA2 GLY 6 28.940 1.508 1.508 36 2HA GLY 6 HA1 GLY 6 30.325 1.775 1.775 37 H ALA 7 HN ALA 7 29.495 1.272 1.272 38 HA ALA 7 HA ALA 7 29.206 -1.547 -1.547 39 1HB ALA 7 HB1 ALA 7 29.362 0.719 0.719 40 2HB ALA 7 HB3 ALA 7 28.210 -0.485 -0.485 41 3HB ALA 7 HB2 ALA 7 29.881 -0.947 -0.947 42 H LYS 8 HN LYS 8 26.828 0.990 0.990 43 HA LYS 8 HA LYS 8 24.597 -0.496 -0.496 44 1HB LYS 8 HB2 LYS 8 24.125 1.774 1.774 45 2HB LYS 8 HB1 LYS 8 24.966 1.964 1.964 46 1HG LYS 8 HG2 LYS 8 22.500 0.259 0.259 47 2HG LYS 8 HG1 LYS 8 22.299 2.007 2.007 48 1HD LYS 8 HD2 LYS 8 23.655 0.399 0.399 49 2HD LYS 8 HD1 LYS 8 22.210 1.394 1.394 50 1HE LYS 8 HE2 LYS 8 24.186 3.102 3.102 51 2HE LYS 8 HE1 LYS 8 24.985 2.167 2.167 52 1HZ LYS 8 HZ2 LYS 8 22.395 3.583 3.583 53 2HZ LYS 8 HZ1 LYS 8 23.895 4.201 4.201 54 3HZ LYS 8 HZ3 LYS 8 23.276 2.795 2.795 55 H VAL 9 HN VAL 9 26.260 -0.318 -0.318 56 HA VAL 9 HA VAL 9 24.215 -2.036 -2.036 57 HB VAL 9 HB VAL 9 26.598 -0.471 -0.471 58 1HG1 VAL 9 HG12 VAL 9 25.247 -2.819 -2.819 59 2HG1 VAL 9 HG11 VAL 9 25.547 -1.440 -1.440 60 3HG1 VAL 9 HG13 VAL 9 26.892 -2.223 -2.223 61 1HG2 VAL 9 HG23 VAL 9 23.658 -0.269 -0.269 62 2HG2 VAL 9 HG22 VAL 9 24.881 1.003 1.003 63 3HG2 VAL 9 HG21 VAL 9 24.461 0.077 0.077 64 H PHE 10 HN PHE 10 27.412 -2.204 -2.204 65 HA PHE 10 HA PHE 10 27.962 -4.757 -4.757 66 1HB PHE 10 HB2 PHE 10 29.841 -3.225 -3.225 67 2HB PHE 10 HB1 PHE 10 29.529 -3.200 -3.200 68 HD1 PHE 10 HD1 PHE 10 29.530 -5.416 -5.416 69 HD2 PHE 10 HD2 PHE 10 31.292 -4.929 -4.929 70 HE1 PHE 10 HE1 PHE 10 30.846 -7.455 -7.455 71 HE2 PHE 10 HE2 PHE 10 32.608 -6.988 -6.988 72 HZ PHE 10 HZ PHE 10 32.397 -8.260 -8.260 73 H SER 11 HN SER 11 26.759 -3.584 -3.584 74 HA SER 11 HA SER 11 27.139 -6.073 -6.073 75 1HB SER 11 HB2 SER 11 25.610 -3.528 -3.528 76 2HB SER 11 HB1 SER 11 25.490 -4.924 -4.924 77 HG SER 11 HG SER 11 27.974 -4.756 -4.756 78 H GLY 12 HN GLY 12 25.244 -5.537 -5.537 79 1HA GLY 12 HA2 GLY 12 23.387 -7.622 -7.622 80 2HA GLY 12 HA1 GLY 12 22.624 -6.074 -6.074 81 H ASN 13 HN ASN 13 25.432 -6.659 -6.659 82 HA ASN 13 HA ASN 13 23.809 -7.863 -7.863 83 1HB ASN 13 HB2 ASN 13 25.560 -5.407 -5.407 84 2HB ASN 13 HB1 ASN 13 24.640 -6.211 -6.211 85 1HD2 ASN 13 HD22 ASN 13 22.511 -4.127 -4.127 86 2HD2 ASN 13 HD21 ASN 13 23.982 -4.861 -4.861 87 H CYS 14 HN CYS 14 27.012 -6.845 -6.845 88 HA CYS 14 HA CYS 14 28.288 -8.876 -8.876 89 1HB CYS 14 HB2 CYS 14 29.954 -7.270 -7.270 90 2HB CYS 14 HB1 CYS 14 30.212 -7.642 -7.642 91 H ALA 15 HN ALA 15 27.391 -8.271 -8.271 92 HA ALA 15 HA ALA 15 29.140 -9.781 -9.781 93 1HB ALA 15 HB2 ALA 15 26.119 -9.697 -9.697 94 2HB ALA 15 HB1 ALA 15 27.204 -10.262 -10.262 95 3HB ALA 15 HB3 ALA 15 27.249 -8.574 -8.574 96 H ALA 16 HN ALA 16 26.284 -11.063 -11.063 97 HA ALA 16 HA ALA 16 26.705 -13.789 -13.789 98 1HB ALA 16 HB3 ALA 16 24.721 -12.492 -12.492 99 2HB ALA 16 HB2 ALA 16 25.529 -13.194 -13.194 100 3HB ALA 16 HB1 ALA 16 24.930 -14.239 -14.239 101 H CYS 17 HN CYS 17 28.132 -11.835 -11.835 102 HA CYS 17 HA CYS 17 29.574 -14.263 -14.263 103 1HB CYS 17 HB2 CYS 17 28.907 -11.679 -11.679 104 2HB CYS 17 HB1 CYS 17 30.066 -12.810 -12.810 105 H HIS 18 HN HIS 18 30.118 -12.110 -12.110 106 HA HIS 18 HA HIS 18 33.001 -12.046 -12.046 107 1HB HIS 18 HB2 HIS 18 31.310 -9.526 -9.526 108 2HB HIS 18 HB1 HIS 18 33.024 -9.505 -9.505 109 HD1 HIS 18 HD1 HIS 18 34.685 -10.170 -10.170 110 HD2 HIS 18 HD2 HIS 18 30.755 -9.996 -9.996 111 HE1 HIS 18 HE1 HIS 18 34.785 -10.312 -10.312 112 H MET 19 HN MET 19 30.635 -10.196 -10.196 113 HA MET 19 HA MET 19 30.520 -9.840 -9.840 114 1HB MET 19 HB2 MET 19 30.564 -12.627 -12.627 115 2HB MET 19 HB1 MET 19 31.444 -12.329 -12.329 116 1HG MET 19 HG2 MET 19 29.443 -10.802 -10.802 117 2HG MET 19 HG1 MET 19 28.586 -11.641 -11.641 118 1HE MET 19 HE1 MET 19 27.405 -11.574 -11.574 119 2HE MET 19 HE3 MET 19 26.717 -12.793 -12.793 120 3HE MET 19 HE2 MET 19 27.103 -13.209 -13.209 121 H GLY 20 HN GLY 20 32.055 -8.445 -8.445 122 1HA GLY 20 HA2 GLY 20 34.143 -7.681 -7.681 123 2HA GLY 20 HA1 GLY 20 34.247 -9.280 -9.280 124 H GLY 21 HN GLY 21 34.415 -8.015 -8.015 125 1HA GLY 21 HA2 GLY 21 35.826 -8.651 -8.651 126 2HA GLY 21 HA1 GLY 21 37.091 -8.442 -8.442 127 H GLY 22 HN GLY 22 34.580 -10.832 -10.832 128 1HA GLY 22 HA2 GLY 22 36.646 -12.947 -12.947 129 2HA GLY 22 HA1 GLY 22 35.199 -13.121 -13.121 130 H ASN 23 HN ASN 23 36.333 -12.897 -12.897 131 HA ASN 23 HA ASN 23 33.890 -13.277 -13.277 132 1HB ASN 23 HB2 ASN 23 36.273 -12.930 -12.930 133 2HB ASN 23 HB1 ASN 23 36.421 -14.688 -14.688 134 1HD2 ASN 23 HD22 ASN 23 33.376 -13.359 -13.359 135 2HD2 ASN 23 HD21 ASN 23 33.608 -12.620 -12.620 136 H VAL 24 HN VAL 24 32.840 -15.240 -15.240 137 HA VAL 24 HA VAL 24 33.561 -17.675 -17.675 138 HB VAL 24 HB VAL 24 31.247 -18.124 -18.124 139 1HG1 VAL 24 HG12 VAL 24 32.491 -16.127 -16.127 140 2HG1 VAL 24 HG11 VAL 24 31.288 -15.148 -15.148 141 3HG1 VAL 24 HG13 VAL 24 30.773 -16.404 -16.404 142 1HG2 VAL 24 HG21 VAL 24 30.809 -15.957 -15.957 143 2HG2 VAL 24 HG23 VAL 24 30.141 -17.589 -17.589 144 3HG2 VAL 24 HG22 VAL 24 29.545 -16.366 -16.366 145 H VAL 25 HN VAL 25 33.505 -16.466 -16.466 146 HA VAL 25 HA VAL 25 32.424 -18.964 -18.964 147 HB VAL 25 HB VAL 25 32.932 -16.192 -16.192 148 1HG1 VAL 25 HG13 VAL 25 32.912 -18.803 -18.803 149 2HG1 VAL 25 HG12 VAL 25 31.867 -17.570 -17.570 150 3HG1 VAL 25 HG11 VAL 25 33.592 -17.260 -17.260 151 1HG2 VAL 25 HG21 VAL 25 30.517 -18.017 -18.017 152 2HG2 VAL 25 HG23 VAL 25 30.778 -16.524 -16.524 153 3HG2 VAL 25 HG22 VAL 25 30.526 -16.470 -16.470 154 H MET 26 HN MET 26 35.141 -16.686 -16.686 155 HA MET 26 HA MET 26 36.718 -18.866 -18.866 156 1HB MET 26 HB2 MET 26 37.205 -15.914 -15.914 157 2HB MET 26 HB1 MET 26 38.474 -16.994 -16.994 158 1HG MET 26 HG2 MET 26 35.941 -17.350 -17.350 159 2HG MET 26 HG1 MET 26 36.578 -15.713 -15.713 160 1HE MET 26 HE2 MET 26 38.863 -15.200 -15.200 161 2HE MET 26 HE1 MET 26 40.019 -16.485 -16.485 162 3HE MET 26 HE3 MET 26 39.856 -15.848 -15.848 163 H ALA 27 HN ALA 27 39.251 -18.512 -18.512 164 HA ALA 27 HA ALA 27 39.118 -18.756 -18.756 165 1HB ALA 27 HB2 ALA 27 40.532 -20.549 -20.549 166 2HB ALA 27 HB1 ALA 27 40.926 -20.535 -20.535 167 3HB ALA 27 HB3 ALA 27 39.312 -21.006 -21.006 168 H ASN 28 HN ASN 28 39.791 -16.343 -16.343 169 HA ASN 28 HA ASN 28 42.327 -15.798 -15.798 170 1HB ASN 28 HB2 ASN 28 43.592 -15.299 -15.299 171 2HB ASN 28 HB1 ASN 28 43.374 -17.013 -17.013 172 1HD2 ASN 28 HD22 ASN 28 41.385 -15.342 -15.342 173 2HD2 ASN 28 HD21 ASN 28 42.095 -14.334 -14.334 174 H LYS 29 HN LYS 29 40.108 -14.887 -14.887 175 HA LYS 29 HA LYS 29 40.760 -12.071 -12.071 176 1HB LYS 29 HB2 LYS 29 39.381 -13.629 -13.629 177 2HB LYS 29 HB1 LYS 29 38.060 -12.800 -12.800 178 1HG LYS 29 HG2 LYS 29 38.511 -11.165 -11.165 179 2HG LYS 29 HG1 LYS 29 39.754 -10.719 -10.719 180 1HD LYS 29 HD2 LYS 29 40.953 -10.866 -10.866 181 2HD LYS 29 HD1 LYS 29 41.243 -12.434 -12.434 182 1HE LYS 29 HE2 LYS 29 39.245 -13.306 -13.306 183 2HE LYS 29 HE1 LYS 29 39.258 -11.783 -11.783 184 1HZ LYS 29 HZ2 LYS 29 41.672 -13.473 -13.473 185 2HZ LYS 29 HZ1 LYS 29 40.535 -13.706 -13.706 186 3HZ LYS 29 HZ3 LYS 29 41.360 -12.229 -12.229 187 H THR 30 HN THR 30 40.594 -11.524 -11.524 188 HA THR 30 HA THR 30 37.780 -11.403 -11.403 189 HB THR 30 HB THR 30 40.265 -11.516 -11.516 190 HG1 THR 30 HG1 THR 30 40.075 -13.414 -13.414 191 1HG2 THR 30 HG22 THR 30 37.369 -11.332 -11.332 192 2HG2 THR 30 HG21 THR 30 38.130 -12.630 -12.630 193 3HG2 THR 30 HG23 THR 30 38.696 -10.971 -10.971 194 H LEU 31 HN LEU 31 37.593 -9.546 -9.546 195 HA LEU 31 HA LEU 31 38.741 -7.133 -7.133 196 1HB LEU 31 HB2 LEU 31 36.815 -7.333 -7.333 197 2HB LEU 31 HB1 LEU 31 37.211 -5.887 -5.887 198 HG LEU 31 HG LEU 31 35.606 -6.324 -6.324 199 1HD1 LEU 31 HD11 LEU 31 37.378 -7.827 -7.827 200 2HD1 LEU 31 HD13 LEU 31 36.490 -9.175 -9.175 201 3HD1 LEU 31 HD12 LEU 31 35.696 -8.116 -8.116 202 1HD2 LEU 31 HD21 LEU 31 34.414 -7.255 -7.255 203 2HD2 LEU 31 HD23 LEU 31 34.004 -8.107 -8.107 204 3HD2 LEU 31 HD22 LEU 31 35.111 -8.840 -8.840 205 H LYS 32 HN LYS 32 39.420 -9.237 -9.237 206 HA LYS 32 HA LYS 32 40.219 -7.917 -7.917 207 1HB LYS 32 HB2 LYS 32 41.189 -10.243 -10.243 208 2HB LYS 32 HB1 LYS 32 42.549 -9.385 -9.385 209 1HG LYS 32 HG2 LYS 32 41.971 -10.315 -10.315 210 2HG LYS 32 HG1 LYS 32 40.524 -9.305 -9.305 211 1HD LYS 32 HD2 LYS 32 39.643 -11.480 -11.480 212 2HD LYS 32 HD1 LYS 32 39.544 -11.159 -11.159 213 1HE LYS 32 HE2 LYS 32 42.024 -12.185 -12.185 214 2HE LYS 32 HE1 LYS 32 41.354 -13.007 -13.007 215 1HZ LYS 32 HZ3 LYS 32 39.430 -13.617 -13.617 216 2HZ LYS 32 HZ2 LYS 32 40.375 -13.088 -13.088 217 3HZ LYS 32 HZ1 LYS 32 40.903 -14.384 -14.384 218 H LYS 33 HN LYS 33 42.739 -8.246 -8.246 219 HA LYS 33 HA LYS 33 43.311 -5.520 -5.520 220 1HB LYS 33 HB2 LYS 33 43.752 -5.082 -5.082 221 2HB LYS 33 HB1 LYS 33 44.420 -6.685 -6.685 222 1HG LYS 33 HG2 LYS 33 46.202 -4.987 -4.987 223 2HG LYS 33 HG1 LYS 33 46.418 -6.088 -6.088 224 1HD LYS 33 HD2 LYS 33 44.876 -4.217 -4.217 225 2HD LYS 33 HD1 LYS 33 45.681 -3.206 -3.206 226 1HE LYS 33 HE2 LYS 33 47.172 -5.105 -5.105 227 2HE LYS 33 HE1 LYS 33 46.895 -3.409 -3.409 228 1HZ LYS 33 HZ3 LYS 33 47.838 -3.290 -3.290 229 2HZ LYS 33 HZ2 LYS 33 48.735 -4.578 -4.578 230 3HZ LYS 33 HZ1 LYS 33 48.768 -3.053 -3.053 231 H GLU 34 HN GLU 34 44.800 -8.701 -8.701 232 HA GLU 34 HA GLU 34 47.132 -8.136 -8.136 233 1HB GLU 34 HB2 GLU 34 45.865 -10.697 -10.697 234 2HB GLU 34 HB1 GLU 34 47.340 -10.683 -10.683 235 1HG GLU 34 HG2 GLU 34 48.540 -9.472 -9.472 236 2HG GLU 34 HG1 GLU 34 47.058 -9.045 -9.045 237 H ALA 35 HN ALA 35 44.115 -9.893 -9.893 238 HA ALA 35 HA ALA 35 44.913 -10.502 -10.502 239 1HB ALA 35 HB1 ALA 35 42.893 -11.331 -11.331 240 2HB ALA 35 HB3 ALA 35 42.023 -10.329 -10.329 241 3HB ALA 35 HB2 ALA 35 42.989 -11.693 -11.693 242 H LEU 36 HN LEU 36 42.698 -8.021 -8.021 243 HA LEU 36 HA LEU 36 42.103 -6.877 -6.877 244 1HB LEU 36 HB2 LEU 36 41.254 -4.940 -4.940 245 2HB LEU 36 HB1 LEU 36 40.680 -6.460 -6.460 246 HG LEU 36 HG LEU 36 43.243 -5.370 -5.370 247 1HD1 LEU 36 HD12 LEU 36 41.479 -3.470 -3.470 248 2HD1 LEU 36 HD11 LEU 36 40.605 -4.336 -4.336 249 3HD1 LEU 36 HD13 LEU 36 42.226 -3.719 -3.719 250 1HD2 LEU 36 HD21 LEU 36 41.016 -7.134 -7.134 251 2HD2 LEU 36 HD23 LEU 36 42.727 -7.217 -7.217 252 3HD2 LEU 36 HD22 LEU 36 41.661 -6.113 -6.113 253 H GLU 37 HN GLU 37 44.911 -6.762 -6.762 254 HA GLU 37 HA GLU 37 45.889 -4.459 -4.459 255 1HB GLU 37 HB2 GLU 37 46.678 -5.336 -5.336 256 2HB GLU 37 HB1 GLU 37 47.517 -4.082 -4.082 257 1HG GLU 37 HG2 GLU 37 44.656 -3.638 -3.638 258 2HG GLU 37 HG1 GLU 37 45.237 -3.750 -3.750 259 H GLN 38 HN GLN 38 45.915 -7.631 -7.631 260 HA GLN 38 HA GLN 38 48.772 -8.140 -8.140 261 1HB GLN 38 HB2 GLN 38 47.636 -9.992 -9.992 262 2HB GLN 38 HB1 GLN 38 46.248 -9.775 -9.775 263 1HG GLN 38 HG2 GLN 38 47.734 -11.731 -11.731 264 2HG GLN 38 HG1 GLN 38 47.480 -10.569 -10.569 265 1HE2 GLN 38 HE22 GLN 38 51.016 -9.762 -9.762 266 2HE2 GLN 38 HE21 GLN 38 49.546 -9.692 -9.692 267 H PHE 39 HN PHE 39 45.870 -8.316 -8.316 268 HA PHE 39 HA PHE 39 47.529 -8.328 -8.328 269 1HB PHE 39 HB2 PHE 39 45.022 -8.168 -8.168 270 2HB PHE 39 HB1 PHE 39 45.794 -9.680 -9.680 271 HD1 PHE 39 HD1 PHE 39 43.721 -6.932 -6.932 272 HD2 PHE 39 HD2 PHE 39 44.742 -11.108 -11.108 273 HE1 PHE 39 HE1 PHE 39 41.946 -7.380 -7.380 274 HE2 PHE 39 HE2 PHE 39 42.952 -11.547 -11.547 275 HZ PHE 39 HZ PHE 39 41.551 -9.680 -9.680 276 H GLY 40 HN GLY 40 45.213 -6.200 -6.200 277 1HA GLY 40 HA2 GLY 40 46.006 -3.756 -3.756 278 2HA GLY 40 HA1 GLY 40 45.985 -4.064 -4.064 279 H MET 41 HN MET 41 43.600 -5.014 -5.014 280 HA MET 41 HA MET 41 41.560 -3.576 -3.576 281 1HB MET 41 HB2 MET 41 40.057 -5.217 -5.217 282 2HB MET 41 HB1 MET 41 41.506 -6.171 -6.171 283 1HG MET 41 HG2 MET 41 40.510 -6.583 -6.583 284 2HG MET 41 HG1 MET 41 41.175 -5.025 -5.025 285 1HE MET 41 HE2 MET 41 40.090 -3.694 -3.694 286 2HE MET 41 HE1 MET 41 38.380 -3.279 -3.279 287 3HE MET 41 HE3 MET 41 38.954 -4.807 -4.807 288 H TYR 42 HN TYR 42 43.464 -2.856 -2.856 289 HA TYR 42 HA TYR 42 41.671 -2.001 -2.001 290 1HB TYR 42 HB2 TYR 42 44.199 -2.453 -2.453 291 2HB TYR 42 HB1 TYR 42 44.395 -0.838 -0.838 292 HD1 TYR 42 HD1 TYR 42 43.742 1.168 1.168 293 HD2 TYR 42 HD2 TYR 42 43.321 -2.747 -2.747 294 HE1 TYR 42 HE1 TYR 42 43.410 2.178 2.178 295 HE2 TYR 42 HE2 TYR 42 42.984 -1.743 -1.743 296 HH TYR 42 HH TYR 42 42.674 1.742 1.742 297 H SER 43 HN SER 43 41.462 -0.895 -0.895 298 HA SER 43 HA SER 43 41.457 1.979 1.979 299 1HB SER 43 HB2 SER 43 42.220 0.552 0.552 300 2HB SER 43 HB1 SER 43 40.877 1.617 1.617 301 HG SER 43 HG SER 43 42.063 3.316 3.316 302 H GLU 44 HN GLU 44 39.552 3.120 3.120 303 HA GLU 44 HA GLU 44 37.043 2.000 2.000 304 1HB GLU 44 HB2 GLU 44 38.096 4.628 4.628 305 2HB GLU 44 HB1 GLU 44 36.656 4.418 4.418 306 1HG GLU 44 HG2 GLU 44 35.485 3.531 3.531 307 2HG GLU 44 HG1 GLU 44 36.893 4.048 4.048 308 H ASP 45 HN ASP 45 38.235 3.377 3.377 309 HA ASP 45 HA ASP 45 36.119 2.556 2.556 310 1HB ASP 45 HB2 ASP 45 38.104 3.968 3.968 311 2HB ASP 45 HB1 ASP 45 38.976 2.452 2.452 312 H ALA 46 HN ALA 46 38.917 0.659 0.659 313 HA ALA 46 HA ALA 46 38.502 -1.635 -1.635 314 1HB ALA 46 HB3 ALA 46 39.907 -1.035 -1.035 315 2HB ALA 46 HB2 ALA 46 39.453 -2.724 -2.724 316 3HB ALA 46 HB1 ALA 46 40.469 -1.918 -1.918 317 H ILE 47 HN ILE 47 37.746 -1.614 -1.614 318 HA ILE 47 HA ILE 47 35.857 -3.751 -3.751 319 HB ILE 47 HB ILE 47 37.099 -3.000 -3.000 320 1HG1 ILE 47 HG12 ILE 47 34.082 -3.180 -3.180 321 2HG1 ILE 47 HG11 ILE 47 35.217 -4.528 -4.528 322 1HG2 ILE 47 HG21 ILE 47 35.695 -0.574 -0.574 323 2HG2 ILE 47 HG23 ILE 47 35.207 -1.154 -1.154 324 3HG2 ILE 47 HG22 ILE 47 36.914 -0.866 -0.866 325 1HD1 ILE 47 HD11 ILE 47 36.290 -3.051 -3.051 326 2HD1 ILE 47 HD13 ILE 47 34.657 -2.392 -2.392 327 3HD1 ILE 47 HD12 ILE 47 34.924 -4.113 -4.113 328 H ILE 48 HN ILE 48 35.598 -0.510 -0.510 329 HA ILE 48 HA ILE 48 32.739 -0.209 -0.209 330 HB ILE 48 HB ILE 48 34.832 1.425 1.425 331 1HG1 ILE 48 HG12 ILE 48 32.823 2.188 2.188 332 2HG1 ILE 48 HG11 ILE 48 34.410 1.517 1.517 333 1HG2 ILE 48 HG21 ILE 48 31.850 1.621 1.621 334 2HG2 ILE 48 HG23 ILE 48 32.843 3.078 3.078 335 3HG2 ILE 48 HG22 ILE 48 33.086 1.813 1.813 336 1HD1 ILE 48 HD13 ILE 48 35.202 3.442 3.442 337 2HD1 ILE 48 HD12 ILE 48 33.695 4.183 4.183 338 3HD1 ILE 48 HD11 ILE 48 34.939 3.762 3.762 339 H TYR 49 HN TYR 49 34.830 -1.252 -1.252 340 HA TYR 49 HA TYR 49 32.550 -1.591 -1.591 341 1HB TYR 49 HB2 TYR 49 34.621 -0.781 -0.781 342 2HB TYR 49 HB1 TYR 49 35.523 -2.128 -2.128 343 HD1 TYR 49 HD1 TYR 49 35.162 -4.438 -4.438 344 HD2 TYR 49 HD2 TYR 49 33.182 -1.088 -1.088 345 HE1 TYR 49 HE1 TYR 49 34.549 -5.849 -5.849 346 HE2 TYR 49 HE2 TYR 49 32.563 -2.498 -2.498 347 HH TYR 49 HH TYR 49 33.970 -5.468 -5.468 348 H GLN 50 HN GLN 50 34.278 -3.260 -3.260 349 HA GLN 50 HA GLN 50 33.603 -5.932 -5.932 350 1HB GLN 50 HB2 GLN 50 35.698 -6.146 -6.146 351 2HB GLN 50 HB1 GLN 50 35.454 -4.826 -4.826 352 1HG GLN 50 HG2 GLN 50 35.409 -6.496 -6.496 353 2HG GLN 50 HG1 GLN 50 33.746 -6.710 -6.710 354 1HE2 GLN 50 HE22 GLN 50 35.001 -10.077 -10.077 355 2HE2 GLN 50 HE21 GLN 50 34.321 -9.064 -9.064 356 H VAL 51 HN VAL 51 32.330 -3.500 -3.500 357 HA VAL 51 HA VAL 51 30.612 -5.379 -5.379 358 HB VAL 51 HB VAL 51 31.027 -2.380 -2.380 359 1HG1 VAL 51 HG13 VAL 51 28.811 -4.041 -4.041 360 2HG1 VAL 51 HG12 VAL 51 29.565 -3.101 -3.101 361 3HG1 VAL 51 HG11 VAL 51 28.921 -2.286 -2.286 362 1HG2 VAL 51 HG22 VAL 51 32.643 -4.215 -4.215 363 2HG2 VAL 51 HG21 VAL 51 32.237 -2.760 -2.760 364 3HG2 VAL 51 HG23 VAL 51 31.404 -4.276 -4.276 365 H GLN 52 HN GLN 52 30.396 -2.638 -2.638 366 HA GLN 52 HA GLN 52 27.559 -2.528 -2.528 367 1HB GLN 52 HB2 GLN 52 29.844 -1.323 -1.323 368 2HB GLN 52 HB1 GLN 52 28.699 -1.783 -1.783 369 1HG GLN 52 HG2 GLN 52 27.019 -0.401 -0.401 370 2HG GLN 52 HG1 GLN 52 27.664 -0.423 -0.423 371 1HE2 GLN 52 HE22 GLN 52 29.842 1.894 1.894 372 2HE2 GLN 52 HE21 GLN 52 29.408 0.305 0.305 373 H HIS 53 HN HIS 53 29.769 -4.851 -4.851 374 HA HIS 53 HA HIS 53 27.597 -6.050 -6.050 375 1HB HIS 53 HB2 HIS 53 30.194 -6.178 -6.178 376 2HB HIS 53 HB1 HIS 53 28.622 -5.938 -5.938 377 HD1 HIS 53 HD1 HIS 53 28.538 -3.719 -3.719 378 HD2 HIS 53 HD2 HIS 53 30.814 -3.551 -3.551 379 HE1 HIS 53 HE1 HIS 53 29.318 -1.320 -1.320 380 H GLY 54 HN GLY 54 29.289 -6.471 -6.471 381 1HA GLY 54 HA2 GLY 54 30.300 -8.318 -8.318 382 2HA GLY 54 HA1 GLY 54 29.529 -9.286 -9.286 383 H LYS 55 HN LYS 55 31.038 -10.437 -10.437 384 HA LYS 55 HA LYS 55 32.849 -9.836 -9.836 385 1HB LYS 55 HB2 LYS 55 33.845 -8.805 -8.805 386 2HB LYS 55 HB1 LYS 55 34.975 -9.921 -9.921 387 1HG LYS 55 HG2 LYS 55 34.968 -7.311 -7.311 388 2HG LYS 55 HG1 LYS 55 35.371 -8.557 -8.557 389 1HD LYS 55 HD2 LYS 55 32.486 -8.015 -8.015 390 2HD LYS 55 HD1 LYS 55 33.430 -6.597 -6.597 391 1HE LYS 55 HE2 LYS 55 34.390 -7.706 -7.706 392 2HE LYS 55 HE1 LYS 55 33.853 -9.288 -9.288 393 1HZ LYS 55 HZ2 LYS 55 31.861 -7.192 -7.192 394 2HZ LYS 55 HZ1 LYS 55 32.530 -8.049 -8.049 395 3HZ LYS 55 HZ3 LYS 55 31.697 -8.882 -8.882 396 H ASN 56 HN ASN 56 33.779 -11.686 -11.686 397 HA ASN 56 HA ASN 56 34.247 -13.974 -13.974 398 1HB ASN 56 HB2 ASN 56 34.892 -13.382 -13.382 399 2HB ASN 56 HB1 ASN 56 35.144 -14.973 -14.973 400 1HD2 ASN 56 HD22 ASN 56 37.412 -11.855 -11.855 401 2HD2 ASN 56 HD21 ASN 56 35.831 -11.540 -11.540 402 H ALA 57 HN ALA 57 33.200 -14.203 -14.203 403 HA ALA 57 HA ALA 57 30.577 -15.302 -15.302 404 1HB ALA 57 HB1 ALA 57 32.620 -16.882 -16.882 405 2HB ALA 57 HB3 ALA 57 31.698 -16.539 -16.539 406 3HB ALA 57 HB2 ALA 57 30.908 -17.296 -17.296 407 H MET 58 HN MET 58 31.053 -12.665 -12.665 408 HA MET 58 HA MET 58 29.899 -12.728 -12.728 409 1HB MET 58 HB2 MET 58 31.999 -11.619 -11.619 410 2HB MET 58 HB1 MET 58 31.629 -10.676 -10.676 411 1HG MET 58 HG2 MET 58 29.740 -9.610 -9.610 412 2HG MET 58 HG1 MET 58 30.405 -10.422 -10.422 413 1HE MET 58 HE3 MET 58 30.353 -8.194 -8.194 414 2HE MET 58 HE2 MET 58 31.461 -6.859 -6.859 415 3HE MET 58 HE1 MET 58 30.096 -7.128 -7.128 416 HA PRO 59 HA PRO 59 26.205 -11.101 -11.101 417 1HB PRO 59 HB2 PRO 59 25.107 -10.225 -10.225 418 2HB PRO 59 HB1 PRO 59 25.142 -11.914 -11.914 419 1HG PRO 59 HG2 PRO 59 26.768 -10.492 -10.492 420 2HG PRO 59 HG1 PRO 59 26.338 -12.208 -12.208 421 1HD PRO 59 HD2 PRO 59 28.814 -11.071 -11.071 422 2HD PRO 59 HD1 PRO 59 28.284 -12.710 -12.710 423 H ALA 60 HN ALA 60 26.424 -9.264 -9.264 424 HA ALA 60 HA ALA 60 27.455 -6.767 -6.767 425 1HB ALA 60 HB1 ALA 60 26.353 -7.507 -7.507 426 2HB ALA 60 HB3 ALA 60 24.788 -7.333 -7.333 427 3HB ALA 60 HB2 ALA 60 25.795 -5.913 -5.913 428 H PHE 61 HN PHE 61 26.478 -4.711 -4.711 429 HA PHE 61 HA PHE 61 24.133 -4.891 -4.891 430 1HB PHE 61 HB2 PHE 61 26.845 -3.915 -3.915 431 2HB PHE 61 HB1 PHE 61 25.374 -3.413 -3.413 432 HD1 PHE 61 HD1 PHE 61 23.921 -6.156 -6.156 433 HD2 PHE 61 HD2 PHE 61 27.737 -5.094 -5.094 434 HE1 PHE 61 HE1 PHE 61 23.934 -8.250 -8.250 435 HE2 PHE 61 HE2 PHE 61 27.753 -7.198 -7.198 436 HZ PHE 61 HZ PHE 61 25.851 -8.773 -8.773 437 H ALA 62 HN ALA 62 25.124 -3.602 -3.602 438 HA ALA 62 HA ALA 62 24.988 -0.782 -0.782 439 1HB ALA 62 HB3 ALA 62 25.707 -2.235 -2.235 440 2HB ALA 62 HB2 ALA 62 24.014 -2.008 -2.008 441 3HB ALA 62 HB1 ALA 62 25.060 -0.608 -0.608 442 H GLY 63 HN GLY 63 22.654 -3.124 -3.124 443 1HA GLY 63 HA2 GLY 63 20.511 -1.095 -1.095 444 2HA GLY 63 HA1 GLY 63 20.277 -2.572 -2.572 445 H ARG 64 HN ARG 64 22.204 -2.955 -2.955 446 HA ARG 64 HA ARG 64 19.970 -4.418 -4.418 447 1HB ARG 64 HB2 ARG 64 22.444 -5.255 -5.255 448 2HB ARG 64 HB1 ARG 64 22.746 -4.776 -4.776 449 1HG ARG 64 HG2 ARG 64 20.719 -6.780 -6.780 450 2HG ARG 64 HG1 ARG 64 22.077 -7.079 -7.079 451 1HD ARG 64 HD2 ARG 64 21.032 -6.049 -6.049 452 2HD ARG 64 HD1 ARG 64 19.998 -5.067 -5.067 453 HE ARG 64 HE ARG 64 18.932 -7.421 -7.421 454 1HH1 ARG 64 HH11 ARG 64 20.741 -8.327 -8.327 455 2HH1 ARG 64 HH12 ARG 64 19.522 -8.470 -8.470 456 1HH2 ARG 64 HH21 ARG 64 17.125 -6.741 -6.741 457 2HH2 ARG 64 HH22 ARG 64 17.475 -7.572 -7.572 458 H LEU 65 HN LEU 65 22.927 -2.637 -2.637 459 HA LEU 65 HA LEU 65 22.003 -1.877 -1.877 460 1HB LEU 65 HB2 LEU 65 24.243 -0.644 -0.644 461 2HB LEU 65 HB1 LEU 65 24.063 -0.652 -0.652 462 HG LEU 65 HG LEU 65 24.382 -3.145 -3.145 463 1HD1 LEU 65 HD12 LEU 65 26.330 -1.227 -1.227 464 2HD1 LEU 65 HD11 LEU 65 26.565 -2.665 -2.665 465 3HD1 LEU 65 HD13 LEU 65 26.603 -2.792 -2.792 466 1HD2 LEU 65 HD23 LEU 65 23.854 -2.577 -2.577 467 2HD2 LEU 65 HD22 LEU 65 23.464 -4.007 -4.007 468 3HD2 LEU 65 HD21 LEU 65 25.093 -3.791 -3.791 469 H THR 66 HN THR 66 22.977 0.842 0.842 470 HA THR 66 HA THR 66 20.483 2.050 2.050 471 HB THR 66 HB THR 66 22.537 2.938 2.938 472 HG1 THR 66 HG1 THR 66 20.863 2.768 2.768 473 1HG2 THR 66 HG23 THR 66 20.639 4.711 4.711 474 2HG2 THR 66 HG22 THR 66 21.342 5.175 5.175 475 3HG2 THR 66 HG21 THR 66 22.386 4.885 4.885 476 H ASP 67 HN ASP 67 23.918 2.920 2.920 477 HA ASP 67 HA ASP 67 24.726 3.078 3.078 478 1HB ASP 67 HB2 ASP 67 22.851 4.377 4.377 479 2HB ASP 67 HB1 ASP 67 22.948 5.450 5.450 480 H GLU 68 HN GLU 68 24.216 5.378 5.378 481 HA GLU 68 HA GLU 68 26.931 6.408 6.408 482 1HB GLU 68 HB2 GLU 68 25.209 7.791 7.791 483 2HB GLU 68 HB1 GLU 68 24.646 6.481 6.481 484 1HG GLU 68 HG2 GLU 68 26.084 8.262 8.262 485 2HG GLU 68 HG1 GLU 68 26.631 6.600 6.600 486 H GLN 69 HN GLN 69 25.856 3.410 3.410 487 HA GLN 69 HA GLN 69 27.757 2.886 2.886 488 1HB GLN 69 HB2 GLN 69 25.879 0.773 0.773 489 2HB GLN 69 HB1 GLN 69 26.324 1.383 1.383 490 1HG GLN 69 HG2 GLN 69 24.354 2.609 2.609 491 2HG GLN 69 HG1 GLN 69 23.986 1.916 1.916 492 1HE2 GLN 69 HE22 GLN 69 26.165 4.931 4.931 493 2HE2 GLN 69 HE21 GLN 69 26.679 3.323 3.323 494 H ILE 70 HN ILE 70 26.709 2.035 2.035 495 HA ILE 70 HA ILE 70 28.584 -0.139 -0.139 496 HB ILE 70 HB ILE 70 27.805 1.945 1.945 497 1HG1 ILE 70 HG12 ILE 70 25.824 0.866 0.866 498 2HG1 ILE 70 HG11 ILE 70 25.967 0.461 0.461 499 1HG2 ILE 70 HG22 ILE 70 29.663 -0.102 -0.102 500 2HG2 ILE 70 HG21 ILE 70 28.228 -0.846 -0.846 501 3HG2 ILE 70 HG23 ILE 70 28.885 0.636 0.636 502 1HD1 ILE 70 HD11 ILE 70 27.254 -1.309 -1.309 503 2HD1 ILE 70 HD13 ILE 70 25.526 -1.453 -1.453 504 3HD1 ILE 70 HD12 ILE 70 26.688 -1.720 -1.720 505 H GLN 71 HN GLN 71 28.685 3.246 3.246 506 HA GLN 71 HA GLN 71 31.472 3.622 3.622 507 1HB GLN 71 HB2 GLN 71 29.259 5.387 5.387 508 2HB GLN 71 HB1 GLN 71 30.878 5.976 5.976 509 1HG GLN 71 HG2 GLN 71 29.883 4.460 4.460 510 2HG GLN 71 HG1 GLN 71 28.755 5.750 5.750 511 1HE2 GLN 71 HE22 GLN 71 31.267 8.339 8.339 512 2HE2 GLN 71 HE21 GLN 71 30.049 7.935 7.935 513 H ASP 72 HN ASP 72 29.605 4.742 4.742 514 HA ASP 72 HA ASP 72 31.545 5.035 5.035 515 1HB ASP 72 HB2 ASP 72 29.234 5.700 5.700 516 2HB ASP 72 HB1 ASP 72 28.704 4.018 4.018 517 H VAL 73 HN VAL 73 29.620 2.091 2.091 518 HA VAL 73 HA VAL 73 30.916 0.421 0.421 519 HB VAL 73 HB VAL 73 29.903 -0.502 -0.502 520 1HG1 VAL 73 HG13 VAL 73 31.079 -1.875 -1.875 521 2HG1 VAL 73 HG12 VAL 73 29.373 -1.994 -1.994 522 3HG1 VAL 73 HG11 VAL 73 29.927 -2.579 -2.579 523 1HG2 VAL 73 HG22 VAL 73 28.331 1.058 1.058 524 2HG2 VAL 73 HG21 VAL 73 27.694 -0.560 -0.560 525 3HG2 VAL 73 HG23 VAL 73 28.310 -0.085 -0.085 526 H ALA 74 HN ALA 74 31.683 1.209 1.209 527 HA ALA 74 HA ALA 74 33.863 -0.594 -0.594 528 1HB ALA 74 HB3 ALA 74 32.844 1.739 1.739 529 2HB ALA 74 HB2 ALA 74 34.594 1.890 1.890 530 3HB ALA 74 HB1 ALA 74 33.900 0.479 0.479 531 H ALA 75 HN ALA 75 33.968 2.822 2.822 532 HA ALA 75 HA ALA 75 36.648 2.822 2.822 533 1HB ALA 75 HB2 ALA 75 34.246 4.551 4.551 534 2HB ALA 75 HB1 ALA 75 35.358 4.699 4.699 535 3HB ALA 75 HB3 ALA 75 35.935 4.997 4.997 536 H TYR 76 HN TYR 76 33.727 1.507 1.507 537 HA TYR 76 HA TYR 76 34.252 1.488 1.488 538 1HB TYR 76 HB2 TYR 76 32.004 1.089 1.089 539 2HB TYR 76 HB1 TYR 76 32.601 -0.447 -0.447 540 HD1 TYR 76 HD1 TYR 76 31.654 1.358 1.358 541 HD2 TYR 76 HD2 TYR 76 33.004 -2.321 -2.321 542 HE1 TYR 76 HE1 TYR 76 31.087 0.291 0.291 543 HE2 TYR 76 HE2 TYR 76 32.437 -3.448 -3.448 544 HH TYR 76 HH TYR 76 31.986 -1.902 -1.902 545 H VAL 77 HN VAL 77 34.972 -0.682 -0.682 546 HA VAL 77 HA VAL 77 36.192 -2.666 -2.666 547 HB VAL 77 HB VAL 77 36.305 -2.266 -2.266 548 1HG1 VAL 77 HG11 VAL 77 37.754 -4.051 -4.051 549 2HG1 VAL 77 HG13 VAL 77 36.827 -4.934 -4.934 550 3HG1 VAL 77 HG12 VAL 77 38.018 -3.737 -3.737 551 1HG2 VAL 77 HG22 VAL 77 34.350 -3.419 -3.419 552 2HG2 VAL 77 HG21 VAL 77 34.208 -3.079 -3.079 553 3HG2 VAL 77 HG23 VAL 77 34.912 -4.600 -4.600 554 H LEU 78 HN LEU 78 37.133 0.262 0.262 555 HA LEU 78 HA LEU 78 40.009 -0.340 -0.340 556 1HB LEU 78 HB2 LEU 78 38.952 2.409 2.409 557 2HB LEU 78 HB1 LEU 78 40.405 1.622 1.622 558 HG LEU 78 HG LEU 78 37.547 1.257 1.257 559 1HD1 LEU 78 HD11 LEU 78 40.201 1.743 1.743 560 2HD1 LEU 78 HD13 LEU 78 38.695 1.435 1.435 561 3HD1 LEU 78 HD12 LEU 78 38.854 2.873 2.873 562 1HD2 LEU 78 HD21 LEU 78 39.569 -0.827 -0.827 563 2HD2 LEU 78 HD23 LEU 78 37.861 -0.968 -0.968 564 3HD2 LEU 78 HD22 LEU 78 39.056 -0.607 -0.607 565 H ASP 79 HN ASP 79 37.494 0.629 0.629 566 HA ASP 79 HA ASP 79 39.157 2.337 2.337 567 1HB ASP 79 HB2 ASP 79 36.612 2.657 2.657 568 2HB ASP 79 HB1 ASP 79 36.355 1.542 1.542 569 H GLN 80 HN GLN 80 37.073 -0.506 -0.506 570 HA GLN 80 HA GLN 80 37.849 -1.358 -1.358 571 1HB GLN 80 HB2 GLN 80 36.815 -3.022 -3.022 572 2HB GLN 80 HB1 GLN 80 36.720 -3.410 -3.410 573 1HG GLN 80 HG2 GLN 80 35.543 -0.840 -0.840 574 2HG GLN 80 HG1 GLN 80 34.637 -2.347 -2.347 575 1HE2 GLN 80 HE22 GLN 80 34.552 -0.497 -0.497 576 2HE2 GLN 80 HE21 GLN 80 34.998 0.246 0.246 577 H ALA 81 HN ALA 81 38.900 -2.355 -2.355 578 HA ALA 81 HA ALA 81 40.857 -4.254 -4.254 579 1HB ALA 81 HB2 ALA 81 39.797 -4.123 -4.123 580 2HB ALA 81 HB1 ALA 81 40.945 -2.825 -2.825 581 3HB ALA 81 HB3 ALA 81 41.528 -4.443 -4.443 582 H ALA 82 HN ALA 82 40.775 -0.863 -0.863 583 HA ALA 82 HA ALA 82 43.595 -0.422 -0.422 584 1HB ALA 82 HB1 ALA 82 41.209 1.205 1.205 585 2HB ALA 82 HB3 ALA 82 42.637 1.838 1.838 586 3HB ALA 82 HB2 ALA 82 42.663 1.575 1.575 587 H LYS 83 HN LYS 83 41.921 -1.703 -1.703 588 HA LYS 83 HA LYS 83 44.235 -1.574 -1.574 589 1HB LYS 83 HB2 LYS 83 43.429 -0.010 -0.010 590 2HB LYS 83 HB1 LYS 83 43.622 0.799 0.799 591 1HG LYS 83 HG2 LYS 83 40.967 -0.375 -0.375 592 2HG LYS 83 HG1 LYS 83 41.313 0.780 0.780 593 1HD LYS 83 HD2 LYS 83 41.942 1.469 1.469 594 2HD LYS 83 HD1 LYS 83 40.302 1.663 1.663 595 1HE LYS 83 HE2 LYS 83 42.084 2.748 2.748 596 2HE LYS 83 HE1 LYS 83 42.557 3.394 3.394 597 1HZ LYS 83 HZ3 LYS 83 39.812 3.462 3.462 598 2HZ LYS 83 HZ2 LYS 83 40.265 3.989 3.989 599 3HZ LYS 83 HZ1 LYS 83 40.860 4.785 4.785 600 H GLY 84 HN GLY 84 42.799 -3.811 -3.811 601 1HA GLY 84 HA2 GLY 84 42.040 -5.529 -5.529 602 2HA GLY 84 HA1 GLY 84 41.642 -4.288 -4.288 603 H TRP 85 HN TRP 85 40.657 -5.566 -5.566 604 HA TRP 85 HA TRP 85 38.274 -4.347 -4.347 605 1HB TRP 85 HB2 TRP 85 39.463 -6.836 -6.836 606 2HB TRP 85 HB1 TRP 85 37.802 -7.178 -7.178 607 HD1 TRP 85 HD1 TRP 85 39.788 -6.116 -6.116 608 HE1 TRP 85 HE1 TRP 85 38.255 -5.149 -5.149 609 HE3 TRP 85 HE3 TRP 85 35.528 -5.513 -5.513 610 HZ2 TRP 85 HZ2 TRP 85 35.548 -4.269 -4.269 611 HZ3 TRP 85 HZ3 TRP 85 33.499 -4.589 -4.589 612 HH2 TRP 85 HH2 TRP 85 33.491 -3.939 -3.939 613 H ALA 86 HN ALA 86 37.366 -3.652 -3.652 614 HA ALA 86 HA ALA 86 35.862 -3.838 -3.838 615 1HB ALA 86 HB1 ALA 86 34.529 -4.775 -4.775 616 2HB ALA 86 HB3 ALA 86 34.860 -6.362 -6.362 617 3HB ALA 86 HB2 ALA 86 33.946 -5.168 -5.168 618 H GLY 87 HN GLY 87 38.330 -4.819 -4.819 619 1HA GLY 87 HA2 GLY 87 38.712 -7.442 -7.442 620 2HA GLY 87 HA1 GLY 87 39.317 -6.082 -6.082 621 HHA HEC 88 HA HEM 88 36.401 -10.527 -10.527 622 HHB HEC 88 HB HEM 88 33.941 -5.615 -5.615 623 HHC HEC 88 HC HEM 88 28.298 -8.511 -8.511 624 HHD HEC 88 HD HEM 88 30.852 -13.493 -13.493 625 1HMA HEC 88 HMA1 HEM 88 37.619 -6.259 -6.259 626 2HMA HEC 88 HMA2 HEM 88 36.078 -5.589 -5.589 627 3HMA HEC 88 HMA3 HEM 88 36.619 -5.142 -5.142 628 1HAA HEC 88 HAA1 HEM 88 38.151 -9.243 -9.243 629 2HAA HEC 88 HAA2 HEM 88 38.345 -7.455 -7.455 630 1HBA HEC 88 HBA1 HEM 88 36.757 -8.655 -8.655 631 2HBA HEC 88 HBA2 HEM 88 37.517 -7.019 -7.019 632 1HMB HEC 88 HMB1 HEM 88 31.411 -4.682 -4.682 633 2HMB HEC 88 HMB2 HEM 88 31.018 -3.817 -3.817 634 3HMB HEC 88 HMB3 HEM 88 32.703 -4.396 -4.396 635 HAB HEC 88 HAB HEM 88 28.027 -6.764 -6.764 636 1HBB HEC 88 HBB1 HEM 88 28.783 -3.832 -3.832 637 2HBB HEC 88 HBB2 HEM 88 28.883 -4.781 -4.781 638 3HBB HEC 88 HBB3 HEM 88 27.322 -4.680 -4.680 639 1HMC HEC 88 HMC1 HEM 88 26.288 -11.078 -11.078 640 2HMC HEC 88 HMC2 HEM 88 26.889 -9.731 -9.731 641 3HMC HEC 88 HMC3 HEM 88 26.897 -11.418 -11.418 642 HAC HEC 88 HAC HEM 88 27.520 -13.538 -13.538 643 1HBC HEC 88 HBC1 HEM 88 30.333 -14.390 -14.390 644 2HBC HEC 88 HBC2 HEM 88 28.947 -15.546 -15.546 645 3HBC HEC 88 HBC3 HEM 88 29.381 -14.639 -14.639 646 1HMD HEC 88 HMD1 HEM 88 32.142 -14.845 -14.845 647 2HMD HEC 88 HMD2 HEM 88 33.016 -14.453 -14.453 648 3HMD HEC 88 HMD3 HEM 88 33.907 -15.205 -15.205 649 1HAD HEC 88 HAD1 HEM 88 36.068 -13.981 -13.981 650 2HAD HEC 88 HAD2 HEM 88 36.682 -12.286 -12.286 651 1HBD HEC 88 HBD1 HEM 88 35.372 -13.907 -13.907 652 2HBD HEC 88 HBD2 HEM 88 34.825 -12.187 -12.187 Start of MODEL 5 1 1H ALA 1 HT2 ALA 1 27.069 10.823 10.823 2 2H ALA 1 HT1 ALA 1 27.320 12.169 12.169 3 3H ALA 1 HT3 ALA 1 26.096 11.054 11.054 4 HA ALA 1 HA ALA 1 27.524 9.494 9.494 5 1HB ALA 1 HB3 ALA 1 28.210 12.255 12.255 6 2HB ALA 1 HB2 ALA 1 29.595 11.182 11.182 7 3HB ALA 1 HB1 ALA 1 28.099 10.861 10.861 8 H ASP 2 HN ASP 2 28.003 9.214 9.214 9 HA ASP 2 HA ASP 2 30.959 9.432 9.432 10 1HB ASP 2 HB2 ASP 2 29.199 10.269 10.269 11 2HB ASP 2 HB1 ASP 2 29.036 8.552 8.552 12 H LEU 3 HN LEU 3 32.091 7.515 7.515 13 HA LEU 3 HA LEU 3 31.246 5.076 5.076 14 1HB LEU 3 HB2 LEU 3 33.335 5.292 5.292 15 2HB LEU 3 HB1 LEU 3 33.241 4.094 4.094 16 HG LEU 3 HG LEU 3 33.254 6.630 6.630 17 1HD1 LEU 3 HD11 LEU 3 34.670 6.666 6.666 18 2HD1 LEU 3 HD13 LEU 3 35.801 6.863 6.863 19 3HD1 LEU 3 HD12 LEU 3 34.442 7.974 7.974 20 1HD2 LEU 3 HD22 LEU 3 35.455 4.572 4.572 21 2HD2 LEU 3 HD21 LEU 3 34.196 4.524 4.524 22 3HD2 LEU 3 HD23 LEU 3 35.403 5.809 5.809 23 H ALA 4 HN ALA 4 30.395 6.552 6.552 24 HA ALA 4 HA ALA 4 29.992 4.312 4.312 25 1HB ALA 4 HB2 ALA 4 28.618 6.990 6.990 26 2HB ALA 4 HB1 ALA 4 28.000 5.789 5.789 27 3HB ALA 4 HB3 ALA 4 29.634 6.424 6.424 28 H ASN 5 HN ASN 5 28.392 5.639 5.639 29 HA ASN 5 HA ASN 5 25.990 4.028 4.028 30 1HB ASN 5 HB2 ASN 5 27.166 6.102 6.102 31 2HB ASN 5 HB1 ASN 5 26.562 4.799 4.799 32 1HD2 ASN 5 HD22 ASN 5 23.684 6.217 6.217 33 2HD2 ASN 5 HD21 ASN 5 25.186 5.695 5.695 34 H GLY 6 HN GLY 6 29.187 3.826 3.826 35 1HA GLY 6 HA2 GLY 6 28.858 1.624 1.624 36 2HA GLY 6 HA1 GLY 6 30.346 1.947 1.947 37 H ALA 7 HN ALA 7 29.889 1.466 1.466 38 HA ALA 7 HA ALA 7 29.694 -1.318 -1.318 39 1HB ALA 7 HB2 ALA 7 29.941 0.978 0.978 40 2HB ALA 7 HB1 ALA 7 28.754 -0.133 -0.133 41 3HB ALA 7 HB3 ALA 7 30.385 -0.701 -0.701 42 H LYS 8 HN LYS 8 27.162 1.147 1.147 43 HA LYS 8 HA LYS 8 25.104 -0.464 -0.464 44 1HB LYS 8 HB2 LYS 8 24.544 1.797 1.797 45 2HB LYS 8 HB1 LYS 8 25.168 1.960 1.960 46 1HG LYS 8 HG2 LYS 8 22.871 0.096 0.096 47 2HG LYS 8 HG1 LYS 8 22.520 1.811 1.811 48 1HD LYS 8 HD2 LYS 8 23.638 0.402 0.402 49 2HD LYS 8 HD1 LYS 8 22.151 1.338 1.338 50 1HE LYS 8 HE2 LYS 8 24.105 3.132 3.132 51 2HE LYS 8 HE1 LYS 8 24.878 2.241 2.241 52 1HZ LYS 8 HZ3 LYS 8 22.873 2.670 2.670 53 2HZ LYS 8 HZ2 LYS 8 22.261 3.641 3.641 54 3HZ LYS 8 HZ1 LYS 8 23.686 4.092 4.092 55 H VAL 9 HN VAL 9 26.322 -0.135 -0.135 56 HA VAL 9 HA VAL 9 24.254 -1.937 -1.937 57 HB VAL 9 HB VAL 9 26.627 -0.506 -0.506 58 1HG1 VAL 9 HG12 VAL 9 26.266 -2.824 -2.824 59 2HG1 VAL 9 HG11 VAL 9 24.677 -2.247 -2.247 60 3HG1 VAL 9 HG13 VAL 9 26.133 -1.465 -1.465 61 1HG2 VAL 9 HG23 VAL 9 23.695 -0.173 -0.173 62 2HG2 VAL 9 HG22 VAL 9 24.960 1.045 1.045 63 3HG2 VAL 9 HG21 VAL 9 24.401 0.137 0.137 64 H PHE 10 HN PHE 10 27.791 -2.096 -2.096 65 HA PHE 10 HA PHE 10 28.088 -4.711 -4.711 66 1HB PHE 10 HB2 PHE 10 30.019 -3.279 -3.279 67 2HB PHE 10 HB1 PHE 10 29.688 -3.309 -3.309 68 HD1 PHE 10 HD1 PHE 10 29.534 -5.624 -5.624 69 HD2 PHE 10 HD2 PHE 10 31.431 -4.944 -4.944 70 HE1 PHE 10 HE1 PHE 10 30.760 -7.738 -7.738 71 HE2 PHE 10 HE2 PHE 10 32.666 -7.082 -7.082 72 HZ PHE 10 HZ PHE 10 32.336 -8.483 -8.483 73 H SER 11 HN SER 11 26.917 -3.596 -3.596 74 HA SER 11 HA SER 11 27.067 -6.274 -6.274 75 1HB SER 11 HB2 SER 11 26.436 -5.260 -5.260 76 2HB SER 11 HB1 SER 11 27.239 -3.917 -3.917 77 HG SER 11 HG SER 11 25.012 -3.513 -3.513 78 H GLY 12 HN GLY 12 25.308 -5.466 -5.466 79 1HA GLY 12 HA2 GLY 12 22.986 -6.984 -6.984 80 2HA GLY 12 HA1 GLY 12 22.645 -5.366 -5.366 81 H ASN 13 HN ASN 13 25.294 -6.688 -6.688 82 HA ASN 13 HA ASN 13 23.647 -8.136 -8.136 83 1HB ASN 13 HB2 ASN 13 25.242 -5.739 -5.739 84 2HB ASN 13 HB1 ASN 13 24.070 -6.688 -6.688 85 1HD2 ASN 13 HD22 ASN 13 22.789 -3.572 -3.572 86 2HD2 ASN 13 HD21 ASN 13 24.438 -3.895 -3.895 87 H CYS 14 HN CYS 14 26.842 -6.634 -6.634 88 HA CYS 14 HA CYS 14 28.207 -8.685 -8.685 89 1HB CYS 14 HB2 CYS 14 29.637 -7.012 -7.012 90 2HB CYS 14 HB1 CYS 14 30.162 -7.495 -7.495 91 H ALA 15 HN ALA 15 27.366 -8.143 -8.143 92 HA ALA 15 HA ALA 15 29.011 -9.810 -9.810 93 1HB ALA 15 HB1 ALA 15 27.081 -8.546 -8.546 94 2HB ALA 15 HB3 ALA 15 25.996 -9.757 -9.757 95 3HB ALA 15 HB2 ALA 15 27.141 -10.210 -10.210 96 H ALA 16 HN ALA 16 26.277 -10.846 -10.846 97 HA ALA 16 HA ALA 16 26.313 -13.597 -13.597 98 1HB ALA 16 HB1 ALA 16 25.034 -11.925 -11.925 99 2HB ALA 16 HB3 ALA 16 25.723 -13.292 -13.292 100 3HB ALA 16 HB2 ALA 16 24.604 -13.574 -13.574 101 H CYS 17 HN CYS 17 28.086 -11.915 -11.915 102 HA CYS 17 HA CYS 17 29.670 -14.406 -14.406 103 1HB CYS 17 HB2 CYS 17 29.424 -11.996 -11.996 104 2HB CYS 17 HB1 CYS 17 30.288 -13.475 -13.475 105 H HIS 18 HN HIS 18 30.074 -12.427 -12.427 106 HA HIS 18 HA HIS 18 32.959 -12.121 -12.121 107 1HB HIS 18 HB2 HIS 18 31.080 -9.746 -9.746 108 2HB HIS 18 HB1 HIS 18 32.761 -9.598 -9.598 109 HD1 HIS 18 HD1 HIS 18 34.601 -10.234 -10.234 110 HD2 HIS 18 HD2 HIS 18 30.765 -9.922 -9.922 111 HE1 HIS 18 HE1 HIS 18 34.865 -10.146 -10.146 112 H MET 19 HN MET 19 30.558 -10.299 -10.299 113 HA MET 19 HA MET 19 30.461 -9.894 -9.894 114 1HB MET 19 HB2 MET 19 30.098 -12.107 -12.107 115 2HB MET 19 HB1 MET 19 29.011 -11.775 -11.775 116 1HG MET 19 HG2 MET 19 30.373 -13.180 -13.180 117 2HG MET 19 HG1 MET 19 31.531 -13.462 -13.462 118 1HE MET 19 HE3 MET 19 31.580 -15.802 -15.802 119 2HE MET 19 HE2 MET 19 30.232 -16.933 -16.933 120 3HE MET 19 HE1 MET 19 30.549 -16.034 -16.034 121 H GLY 20 HN GLY 20 32.348 -8.972 -8.972 122 1HA GLY 20 HA2 GLY 20 34.181 -9.019 -9.019 123 2HA GLY 20 HA1 GLY 20 34.209 -10.778 -10.778 124 H GLY 21 HN GLY 21 34.292 -8.369 -8.369 125 1HA GLY 21 HA2 GLY 21 35.723 -8.320 -8.320 126 2HA GLY 21 HA1 GLY 21 36.943 -8.117 -8.117 127 H GLY 22 HN GLY 22 34.973 -10.835 -10.835 128 1HA GLY 22 HA2 GLY 22 37.457 -12.308 -12.308 129 2HA GLY 22 HA1 GLY 22 36.417 -13.028 -13.028 130 H ASN 23 HN ASN 23 36.922 -12.637 -12.637 131 HA ASN 23 HA ASN 23 34.327 -13.019 -13.019 132 1HB ASN 23 HB2 ASN 23 36.878 -12.894 -12.894 133 2HB ASN 23 HB1 ASN 23 36.412 -14.567 -14.567 134 1HD2 ASN 23 HD22 ASN 23 35.099 -12.035 -12.035 135 2HD2 ASN 23 HD21 ASN 23 36.610 -12.079 -12.079 136 H VAL 24 HN VAL 24 33.403 -15.107 -15.107 137 HA VAL 24 HA VAL 24 34.184 -17.408 -17.408 138 HB VAL 24 HB VAL 24 31.875 -18.019 -18.019 139 1HG1 VAL 24 HG13 VAL 24 32.920 -15.777 -15.777 140 2HG1 VAL 24 HG12 VAL 24 31.528 -15.083 -15.083 141 3HG1 VAL 24 HG11 VAL 24 31.295 -16.361 -16.361 142 1HG2 VAL 24 HG23 VAL 24 31.294 -15.768 -15.768 143 2HG2 VAL 24 HG22 VAL 24 31.172 -17.492 -17.492 144 3HG2 VAL 24 HG21 VAL 24 30.080 -16.751 -16.751 145 H VAL 25 HN VAL 25 33.156 -16.331 -16.331 146 HA VAL 25 HA VAL 25 32.956 -19.050 -19.050 147 HB VAL 25 HB VAL 25 33.288 -16.528 -16.528 148 1HG1 VAL 25 HG13 VAL 25 33.135 -19.136 -19.136 149 2HG1 VAL 25 HG12 VAL 25 31.424 -18.713 -18.713 150 3HG1 VAL 25 HG11 VAL 25 32.544 -17.804 -17.804 151 1HG2 VAL 25 HG21 VAL 25 31.018 -17.436 -17.436 152 2HG2 VAL 25 HG23 VAL 25 31.472 -15.804 -15.804 153 3HG2 VAL 25 HG22 VAL 25 30.611 -16.855 -16.855 154 H MET 26 HN MET 26 35.103 -16.382 -16.382 155 HA MET 26 HA MET 26 37.072 -18.192 -18.192 156 1HB MET 26 HB2 MET 26 37.104 -15.252 -15.252 157 2HB MET 26 HB1 MET 26 38.551 -16.076 -16.076 158 1HG MET 26 HG2 MET 26 35.878 -16.073 -16.073 159 2HG MET 26 HG1 MET 26 37.222 -15.001 -15.001 160 1HE MET 26 HE1 MET 26 35.347 -17.693 -17.693 161 2HE MET 26 HE3 MET 26 36.323 -18.975 -18.975 162 3HE MET 26 HE2 MET 26 36.121 -18.908 -18.908 163 H ALA 27 HN ALA 27 39.147 -18.732 -18.732 164 HA ALA 27 HA ALA 27 39.251 -18.473 -18.473 165 1HB ALA 27 HB2 ALA 27 39.244 -20.783 -20.783 166 2HB ALA 27 HB1 ALA 27 40.962 -20.526 -20.526 167 3HB ALA 27 HB3 ALA 27 39.837 -20.659 -20.659 168 H ASN 28 HN ASN 28 40.259 -16.278 -16.278 169 HA ASN 28 HA ASN 28 43.000 -16.285 -16.285 170 1HB ASN 28 HB2 ASN 28 44.103 -16.011 -16.011 171 2HB ASN 28 HB1 ASN 28 43.146 -17.493 -17.493 172 1HD2 ASN 28 HD22 ASN 28 40.681 -15.998 -15.998 173 2HD2 ASN 28 HD21 ASN 28 40.812 -17.108 -17.108 174 H LYS 29 HN LYS 29 40.587 -14.713 -14.713 175 HA LYS 29 HA LYS 29 41.708 -12.057 -12.057 176 1HB LYS 29 HB2 LYS 29 39.036 -12.739 -12.739 177 2HB LYS 29 HB1 LYS 29 39.906 -11.215 -11.215 178 1HG LYS 29 HG2 LYS 29 41.648 -12.229 -12.229 179 2HG LYS 29 HG1 LYS 29 41.014 -13.845 -13.845 180 1HD LYS 29 HD2 LYS 29 39.294 -13.607 -13.607 181 2HD LYS 29 HD1 LYS 29 39.146 -11.872 -11.872 182 1HE LYS 29 HE2 LYS 29 40.041 -12.191 -12.191 183 2HE LYS 29 HE1 LYS 29 41.335 -11.564 -11.564 184 1HZ LYS 29 HZ2 LYS 29 42.078 -13.868 -13.868 185 2HZ LYS 29 HZ1 LYS 29 40.896 -14.401 -14.401 186 3HZ LYS 29 HZ3 LYS 29 42.152 -13.393 -13.393 187 H THR 30 HN THR 30 41.200 -10.901 -10.901 188 HA THR 30 HA THR 30 38.670 -11.608 -11.608 189 HB THR 30 HB THR 30 41.086 -10.445 -10.445 190 HG1 THR 30 HG1 THR 30 42.099 -12.262 -12.262 191 1HG2 THR 30 HG23 THR 30 38.491 -11.397 -11.397 192 2HG2 THR 30 HG22 THR 30 39.716 -12.429 -12.429 193 3HG2 THR 30 HG21 THR 30 39.744 -10.688 -10.688 194 H LEU 31 HN LEU 31 38.394 -9.568 -9.568 195 HA LEU 31 HA LEU 31 38.173 -7.196 -7.196 196 1HB LEU 31 HB2 LEU 31 36.749 -8.153 -8.153 197 2HB LEU 31 HB1 LEU 31 36.799 -6.418 -6.418 198 HG LEU 31 HG LEU 31 34.980 -8.287 -8.287 199 1HD1 LEU 31 HD13 LEU 31 35.318 -5.527 -5.527 200 2HD1 LEU 31 HD12 LEU 31 35.157 -5.859 -5.859 201 3HD1 LEU 31 HD11 LEU 31 33.895 -6.380 -6.380 202 1HD2 LEU 31 HD21 LEU 31 36.770 -8.952 -8.952 203 2HD2 LEU 31 HD23 LEU 31 35.314 -8.300 -8.300 204 3HD2 LEU 31 HD22 LEU 31 36.748 -7.294 -7.294 205 H LYS 32 HN LYS 32 40.011 -8.427 -8.427 206 HA LYS 32 HA LYS 32 40.548 -6.072 -6.072 207 1HB LYS 32 HB2 LYS 32 42.123 -8.589 -8.589 208 2HB LYS 32 HB1 LYS 32 42.837 -7.264 -7.264 209 1HG LYS 32 HG2 LYS 32 41.482 -7.614 -7.614 210 2HG LYS 32 HG1 LYS 32 40.085 -8.000 -8.000 211 1HD LYS 32 HD2 LYS 32 40.833 -9.987 -9.987 212 2HD LYS 32 HD1 LYS 32 41.046 -10.227 -10.227 213 1HE LYS 32 HE2 LYS 32 43.444 -9.385 -9.385 214 2HE LYS 32 HE1 LYS 32 43.161 -9.566 -9.566 215 1HZ LYS 32 HZ2 LYS 32 42.385 -11.909 -11.909 216 2HZ LYS 32 HZ1 LYS 32 43.215 -11.646 -11.646 217 3HZ LYS 32 HZ3 LYS 32 44.055 -11.595 -11.595 218 H LYS 33 HN LYS 33 43.423 -7.278 -7.278 219 HA LYS 33 HA LYS 33 43.602 -5.392 -5.392 220 1HB LYS 33 HB2 LYS 33 44.906 -3.644 -3.644 221 2HB LYS 33 HB1 LYS 33 43.607 -3.892 -3.892 222 1HG LYS 33 HG2 LYS 33 45.067 -5.250 -5.250 223 2HG LYS 33 HG1 LYS 33 46.363 -5.137 -5.137 224 1HD LYS 33 HD2 LYS 33 46.902 -3.482 -3.482 225 2HD LYS 33 HD1 LYS 33 46.160 -2.583 -2.583 226 1HE LYS 33 HE2 LYS 33 43.940 -2.900 -2.900 227 2HE LYS 33 HE1 LYS 33 44.944 -3.361 -3.361 228 1HZ LYS 33 HZ2 LYS 33 45.922 -1.001 -1.001 229 2HZ LYS 33 HZ1 LYS 33 44.296 -0.809 -0.809 230 3HZ LYS 33 HZ3 LYS 33 45.452 -1.250 -1.250 231 H GLU 34 HN GLU 34 45.363 -7.126 -7.126 232 HA GLU 34 HA GLU 34 47.889 -7.322 -7.322 233 1HB GLU 34 HB2 GLU 34 46.324 -8.906 -8.906 234 2HB GLU 34 HB1 GLU 34 47.552 -9.836 -9.836 235 1HG GLU 34 HG2 GLU 34 48.672 -7.299 -7.299 236 2HG GLU 34 HG1 GLU 34 47.930 -8.035 -8.035 237 H ALA 35 HN ALA 35 44.931 -8.947 -8.947 238 HA ALA 35 HA ALA 35 46.398 -10.555 -10.555 239 1HB ALA 35 HB3 ALA 35 44.326 -11.232 -11.232 240 2HB ALA 35 HB2 ALA 35 43.525 -11.024 -11.024 241 3HB ALA 35 HB1 ALA 35 44.853 -12.174 -12.174 242 H LEU 36 HN LEU 36 43.159 -9.112 -9.112 243 HA LEU 36 HA LEU 36 42.781 -8.765 -8.765 244 1HB LEU 36 HB2 LEU 36 41.546 -6.591 -6.591 245 2HB LEU 36 HB1 LEU 36 40.999 -8.062 -8.062 246 HG LEU 36 HG LEU 36 43.106 -6.384 -6.384 247 1HD1 LEU 36 HD12 LEU 36 41.076 -4.978 -4.978 248 2HD1 LEU 36 HD11 LEU 36 40.166 -5.876 -5.876 249 3HD1 LEU 36 HD13 LEU 36 41.533 -4.878 -4.878 250 1HD2 LEU 36 HD21 LEU 36 41.457 -8.648 -8.648 251 2HD2 LEU 36 HD23 LEU 36 42.730 -7.906 -7.906 252 3HD2 LEU 36 HD22 LEU 36 41.075 -7.324 -7.324 253 H GLU 37 HN GLU 37 44.777 -6.675 -6.675 254 HA GLU 37 HA GLU 37 45.485 -4.997 -4.997 255 1HB GLU 37 HB2 GLU 37 45.628 -4.742 -4.742 256 2HB GLU 37 HB1 GLU 37 47.280 -4.640 -4.640 257 1HG GLU 37 HG2 GLU 37 45.268 -3.180 -3.180 258 2HG GLU 37 HG1 GLU 37 45.522 -2.540 -2.540 259 H GLN 38 HN GLN 38 46.851 -7.683 -7.683 260 HA GLN 38 HA GLN 38 49.512 -7.717 -7.717 261 1HB GLN 38 HB2 GLN 38 49.002 -9.563 -9.563 262 2HB GLN 38 HB1 GLN 38 47.440 -9.805 -9.805 263 1HG GLN 38 HG2 GLN 38 49.097 -11.582 -11.582 264 2HG GLN 38 HG1 GLN 38 48.497 -10.716 -10.716 265 1HE2 GLN 38 HE22 GLN 38 52.021 -9.034 -9.034 266 2HE2 GLN 38 HE21 GLN 38 50.674 -8.978 -8.978 267 H PHE 39 HN PHE 39 46.630 -8.718 -8.718 268 HA PHE 39 HA PHE 39 48.123 -9.134 -9.134 269 1HB PHE 39 HB2 PHE 39 45.204 -8.970 -8.970 270 2HB PHE 39 HB1 PHE 39 46.274 -10.255 -10.255 271 HD1 PHE 39 HD1 PHE 39 47.136 -11.923 -11.923 272 HD2 PHE 39 HD2 PHE 39 43.937 -9.147 -9.147 273 HE1 PHE 39 HE1 PHE 39 46.378 -13.289 -13.289 274 HE2 PHE 39 HE2 PHE 39 43.180 -10.505 -10.505 275 HZ PHE 39 HZ PHE 39 44.393 -12.584 -12.584 276 H GLY 40 HN GLY 40 45.150 -7.321 -7.321 277 1HA GLY 40 HA2 GLY 40 45.849 -4.724 -4.724 278 2HA GLY 40 HA1 GLY 40 45.886 -5.322 -5.322 279 H MET 41 HN MET 41 43.808 -4.683 -4.683 280 HA MET 41 HA MET 41 41.493 -4.170 -4.170 281 1HB MET 41 HB2 MET 41 40.184 -6.197 -6.197 282 2HB MET 41 HB1 MET 41 41.527 -6.575 -6.575 283 1HG MET 41 HG2 MET 41 42.703 -7.665 -7.665 284 2HG MET 41 HG1 MET 41 42.208 -6.519 -6.519 285 1HE MET 41 HE2 MET 41 41.503 -9.458 -9.458 286 2HE MET 41 HE1 MET 41 42.108 -10.143 -10.143 287 3HE MET 41 HE3 MET 41 40.463 -10.501 -10.501 288 H TYR 42 HN TYR 42 42.986 -3.339 -3.339 289 HA TYR 42 HA TYR 42 40.718 -3.569 -3.569 290 1HB TYR 42 HB2 TYR 42 42.856 -4.443 -4.443 291 2HB TYR 42 HB1 TYR 42 43.642 -2.904 -2.904 292 HD1 TYR 42 HD1 TYR 42 40.212 -2.890 -2.890 293 HD2 TYR 42 HD2 TYR 42 44.361 -2.623 -2.623 294 HE1 TYR 42 HE1 TYR 42 39.577 -1.998 -1.998 295 HE2 TYR 42 HE2 TYR 42 43.724 -1.729 -1.729 296 HH TYR 42 HH TYR 42 42.060 -1.084 -1.084 297 H SER 43 HN SER 43 41.120 -1.652 -1.652 298 HA SER 43 HA SER 43 41.211 0.920 0.920 299 1HB SER 43 HB2 SER 43 41.959 1.937 1.937 300 2HB SER 43 HB1 SER 43 42.643 0.319 0.319 301 HG SER 43 HG SER 43 41.204 1.453 1.453 302 H GLU 44 HN GLU 44 39.550 2.502 2.502 303 HA GLU 44 HA GLU 44 36.889 1.769 1.769 304 1HB GLU 44 HB2 GLU 44 38.383 4.205 4.205 305 2HB GLU 44 HB1 GLU 44 36.797 4.116 4.116 306 1HG GLU 44 HG2 GLU 44 36.243 3.263 3.263 307 2HG GLU 44 HG1 GLU 44 37.502 4.465 4.465 308 H ASP 45 HN ASP 45 38.395 3.013 3.013 309 HA ASP 45 HA ASP 45 36.353 2.243 2.243 310 1HB ASP 45 HB2 ASP 45 38.388 3.629 3.629 311 2HB ASP 45 HB1 ASP 45 39.249 2.104 2.104 312 H ALA 46 HN ALA 46 38.936 0.261 0.261 313 HA ALA 46 HA ALA 46 38.628 -1.994 -1.994 314 1HB ALA 46 HB2 ALA 46 40.279 -1.356 -1.356 315 2HB ALA 46 HB1 ALA 46 39.273 -2.630 -2.630 316 3HB ALA 46 HB3 ALA 46 40.201 -2.937 -2.937 317 H ILE 47 HN ILE 47 37.619 -2.002 -2.002 318 HA ILE 47 HA ILE 47 35.730 -4.105 -4.105 319 HB ILE 47 HB ILE 47 36.754 -3.429 -3.429 320 1HG1 ILE 47 HG12 ILE 47 33.730 -3.255 -3.255 321 2HG1 ILE 47 HG11 ILE 47 34.661 -4.750 -4.750 322 1HG2 ILE 47 HG22 ILE 47 35.779 -0.888 -0.888 323 2HG2 ILE 47 HG21 ILE 47 34.918 -1.350 -1.350 324 3HG2 ILE 47 HG23 ILE 47 36.678 -1.302 -1.302 325 1HD1 ILE 47 HD11 ILE 47 34.771 -2.552 -2.552 326 2HD1 ILE 47 HD13 ILE 47 33.887 -4.065 -4.065 327 3HD1 ILE 47 HD12 ILE 47 35.648 -4.080 -4.080 328 H ILE 48 HN ILE 48 35.566 -0.837 -0.837 329 HA ILE 48 HA ILE 48 32.661 -0.540 -0.540 330 HB ILE 48 HB ILE 48 34.881 1.079 1.079 331 1HG1 ILE 48 HG12 ILE 48 32.847 1.937 1.937 332 2HG1 ILE 48 HG11 ILE 48 34.330 1.098 1.098 333 1HG2 ILE 48 HG22 ILE 48 32.095 1.039 1.039 334 2HG2 ILE 48 HG21 ILE 48 32.507 2.584 2.584 335 3HG2 ILE 48 HG23 ILE 48 33.403 2.021 2.021 336 1HD1 ILE 48 HD11 ILE 48 35.313 3.004 3.004 337 2HD1 ILE 48 HD13 ILE 48 33.947 3.860 3.860 338 3HD1 ILE 48 HD12 ILE 48 35.210 3.195 3.195 339 H TYR 49 HN TYR 49 34.989 -1.678 -1.678 340 HA TYR 49 HA TYR 49 32.976 -1.806 -1.806 341 1HB TYR 49 HB2 TYR 49 35.368 -1.341 -1.341 342 2HB TYR 49 HB1 TYR 49 35.779 -2.962 -2.962 343 HD1 TYR 49 HD1 TYR 49 34.618 -4.955 -4.955 344 HD2 TYR 49 HD2 TYR 49 34.473 -1.009 -1.009 345 HE1 TYR 49 HE1 TYR 49 33.882 -5.908 -5.908 346 HE2 TYR 49 HE2 TYR 49 33.746 -1.963 -1.963 347 HH TYR 49 HH TYR 49 32.957 -5.385 -5.385 348 H GLN 50 HN GLN 50 34.190 -3.918 -3.918 349 HA GLN 50 HA GLN 50 32.853 -6.171 -6.171 350 1HB GLN 50 HB2 GLN 50 33.725 -7.527 -7.527 351 2HB GLN 50 HB1 GLN 50 34.859 -7.047 -7.047 352 1HG GLN 50 HG2 GLN 50 34.473 -5.116 -5.116 353 2HG GLN 50 HG1 GLN 50 35.288 -6.609 -6.609 354 1HE2 GLN 50 HE22 GLN 50 38.135 -4.705 -4.705 355 2HE2 GLN 50 HE21 GLN 50 37.249 -5.039 -5.039 356 H VAL 51 HN VAL 51 32.320 -3.850 -3.850 357 HA VAL 51 HA VAL 51 30.241 -5.445 -5.445 358 HB VAL 51 HB VAL 51 31.362 -2.676 -2.676 359 1HG1 VAL 51 HG11 VAL 51 28.766 -3.822 -3.822 360 2HG1 VAL 51 HG13 VAL 51 29.715 -3.107 -3.107 361 3HG1 VAL 51 HG12 VAL 51 29.272 -2.136 -2.136 362 1HG2 VAL 51 HG21 VAL 51 31.273 -5.242 -5.242 363 2HG2 VAL 51 HG23 VAL 51 32.699 -4.483 -4.483 364 3HG2 VAL 51 HG22 VAL 51 31.858 -3.706 -3.706 365 H GLN 52 HN GLN 52 30.535 -2.926 -2.926 366 HA GLN 52 HA GLN 52 27.677 -2.333 -2.333 367 1HB GLN 52 HB2 GLN 52 29.994 -1.064 -1.064 368 2HB GLN 52 HB1 GLN 52 29.060 -1.496 -1.496 369 1HG GLN 52 HG2 GLN 52 27.342 -0.077 -0.077 370 2HG GLN 52 HG1 GLN 52 27.516 -0.336 -0.336 371 1HE2 GLN 52 HE22 GLN 52 30.410 2.040 2.040 372 2HE2 GLN 52 HE21 GLN 52 30.191 0.400 0.400 373 H HIS 53 HN HIS 53 29.639 -4.819 -4.819 374 HA HIS 53 HA HIS 53 27.511 -5.655 -5.655 375 1HB HIS 53 HB2 HIS 53 29.975 -5.856 -5.856 376 2HB HIS 53 HB1 HIS 53 28.441 -5.174 -5.174 377 HD1 HIS 53 HD1 HIS 53 29.056 -2.911 -2.911 378 HD2 HIS 53 HD2 HIS 53 30.841 -3.549 -3.549 379 HE1 HIS 53 HE1 HIS 53 30.175 -0.737 -0.737 380 H GLY 54 HN GLY 54 29.165 -6.512 -6.512 381 1HA GLY 54 HA2 GLY 54 30.235 -8.483 -8.483 382 2HA GLY 54 HA1 GLY 54 29.173 -9.264 -9.264 383 H LYS 55 HN LYS 55 30.502 -10.603 -10.603 384 HA LYS 55 HA LYS 55 32.064 -10.207 -10.207 385 1HB LYS 55 HB2 LYS 55 33.476 -9.236 -9.236 386 2HB LYS 55 HB1 LYS 55 34.388 -10.481 -10.481 387 1HG LYS 55 HG2 LYS 55 34.437 -9.252 -9.252 388 2HG LYS 55 HG1 LYS 55 33.066 -8.241 -8.241 389 1HD LYS 55 HD2 LYS 55 34.414 -6.743 -6.743 390 2HD LYS 55 HD1 LYS 55 35.254 -8.008 -8.008 391 1HE LYS 55 HE2 LYS 55 36.306 -8.483 -8.483 392 2HE LYS 55 HE1 LYS 55 35.950 -6.767 -6.767 393 1HZ LYS 55 HZ3 LYS 55 37.450 -7.903 -7.903 394 2HZ LYS 55 HZ2 LYS 55 38.182 -7.215 -7.215 395 3HZ LYS 55 HZ1 LYS 55 37.216 -6.260 -6.260 396 H ASN 56 HN ASN 56 32.597 -12.211 -12.211 397 HA ASN 56 HA ASN 56 32.767 -14.549 -14.549 398 1HB ASN 56 HB2 ASN 56 34.179 -13.892 -13.892 399 2HB ASN 56 HB1 ASN 56 34.152 -15.509 -15.509 400 1HD2 ASN 56 HD22 ASN 56 36.325 -12.544 -12.544 401 2HD2 ASN 56 HD21 ASN 56 35.091 -12.117 -12.117 402 H ALA 57 HN ALA 57 32.622 -14.498 -14.498 403 HA ALA 57 HA ALA 57 29.843 -15.594 -15.594 404 1HB ALA 57 HB1 ALA 57 32.087 -16.974 -16.974 405 2HB ALA 57 HB3 ALA 57 31.418 -16.392 -16.392 406 3HB ALA 57 HB2 ALA 57 30.429 -17.378 -17.378 407 H MET 58 HN MET 58 30.393 -12.831 -12.831 408 HA MET 58 HA MET 58 29.622 -12.442 -12.442 409 1HB MET 58 HB2 MET 58 31.872 -11.528 -11.528 410 2HB MET 58 HB1 MET 58 31.035 -10.435 -10.435 411 1HG MET 58 HG2 MET 58 29.798 -9.460 -9.460 412 2HG MET 58 HG1 MET 58 30.568 -10.593 -10.593 413 1HE MET 58 HE1 MET 58 30.315 -7.315 -7.315 414 2HE MET 58 HE3 MET 58 30.809 -7.849 -7.849 415 3HE MET 58 HE2 MET 58 31.790 -6.682 -6.682 416 HA PRO 59 HA PRO 59 25.850 -10.951 -10.951 417 1HB PRO 59 HB2 PRO 59 24.946 -9.697 -9.697 418 2HB PRO 59 HB1 PRO 59 24.928 -11.446 -11.446 419 1HG PRO 59 HG2 PRO 59 26.711 -9.792 -9.792 420 2HG PRO 59 HG1 PRO 59 26.277 -11.500 -11.500 421 1HD PRO 59 HD2 PRO 59 28.699 -10.460 -10.460 422 2HD PRO 59 HD1 PRO 59 28.168 -12.147 -12.147 423 H ALA 60 HN ALA 60 26.423 -9.339 -9.339 424 HA ALA 60 HA ALA 60 27.273 -6.720 -6.720 425 1HB ALA 60 HB3 ALA 60 25.354 -8.042 -8.042 426 2HB ALA 60 HB2 ALA 60 25.707 -6.319 -6.319 427 3HB ALA 60 HB1 ALA 60 27.004 -7.504 -7.504 428 H PHE 61 HN PHE 61 26.405 -5.248 -5.248 429 HA PHE 61 HA PHE 61 23.594 -5.370 -5.370 430 1HB PHE 61 HB2 PHE 61 25.824 -3.469 -3.469 431 2HB PHE 61 HB1 PHE 61 24.187 -3.379 -3.379 432 HD1 PHE 61 HD1 PHE 61 27.001 -5.815 -5.815 433 HD2 PHE 61 HD2 PHE 61 23.645 -4.622 -4.622 434 HE1 PHE 61 HE1 PHE 61 27.556 -7.577 -7.577 435 HE2 PHE 61 HE2 PHE 61 24.200 -6.388 -6.388 436 HZ PHE 61 HZ PHE 61 26.152 -7.863 -7.863 437 H ALA 62 HN ALA 62 25.813 -3.055 -3.055 438 HA ALA 62 HA ALA 62 25.322 -1.149 -1.149 439 1HB ALA 62 HB3 ALA 62 24.447 -3.605 -3.605 440 2HB ALA 62 HB2 ALA 62 23.378 -2.292 -2.292 441 3HB ALA 62 HB1 ALA 62 25.115 -2.167 -2.167 442 H GLY 63 HN GLY 63 23.535 -1.591 -1.591 443 1HA GLY 63 HA2 GLY 63 21.928 0.356 0.356 444 2HA GLY 63 HA1 GLY 63 21.082 -0.241 -0.241 445 H ARG 64 HN ARG 64 22.601 -2.299 -2.299 446 HA ARG 64 HA ARG 64 19.924 -3.420 -3.420 447 1HB ARG 64 HB2 ARG 64 21.424 -5.133 -5.133 448 2HB ARG 64 HB1 ARG 64 22.752 -4.473 -4.473 449 1HG ARG 64 HG2 ARG 64 21.435 -4.984 -4.984 450 2HG ARG 64 HG1 ARG 64 20.238 -5.790 -5.790 451 1HD ARG 64 HD2 ARG 64 22.921 -6.631 -6.631 452 2HD ARG 64 HD1 ARG 64 22.594 -6.919 -6.919 453 HE ARG 64 HE ARG 64 20.729 -7.916 -7.916 454 1HH1 ARG 64 HH11 ARG 64 20.673 -8.084 -8.084 455 2HH1 ARG 64 HH12 ARG 64 21.004 -9.775 -9.775 456 1HH2 ARG 64 HH21 ARG 64 22.014 -10.201 -10.201 457 2HH2 ARG 64 HH22 ARG 64 21.763 -10.972 -10.972 458 H LEU 65 HN LEU 65 23.002 -2.339 -2.339 459 HA LEU 65 HA LEU 65 21.995 -2.170 -2.170 460 1HB LEU 65 HB2 LEU 65 24.253 -0.661 -0.661 461 2HB LEU 65 HB1 LEU 65 23.941 -0.649 -0.649 462 HG LEU 65 HG LEU 65 25.428 -2.348 -2.348 463 1HD1 LEU 65 HD13 LEU 65 23.058 -3.834 -3.834 464 2HD1 LEU 65 HD12 LEU 65 24.437 -4.602 -4.602 465 3HD1 LEU 65 HD11 LEU 65 23.375 -3.539 -3.539 466 1HD2 LEU 65 HD22 LEU 65 26.103 -1.971 -1.971 467 2HD2 LEU 65 HD21 LEU 65 26.050 -3.696 -3.696 468 3HD2 LEU 65 HD23 LEU 65 24.747 -2.946 -2.946 469 H THR 66 HN THR 66 22.878 0.749 0.749 470 HA THR 66 HA THR 66 20.217 1.843 1.843 471 HB THR 66 HB THR 66 22.401 2.823 2.823 472 HG1 THR 66 HG1 THR 66 21.084 1.821 1.821 473 1HG2 THR 66 HG23 THR 66 20.040 4.327 4.327 474 2HG2 THR 66 HG22 THR 66 20.845 4.792 4.792 475 3HG2 THR 66 HG21 THR 66 21.738 4.801 4.801 476 H ASP 67 HN ASP 67 23.655 2.730 2.730 477 HA ASP 67 HA ASP 67 24.061 3.298 3.298 478 1HB ASP 67 HB2 ASP 67 22.081 5.228 5.228 479 2HB ASP 67 HB1 ASP 67 23.398 5.937 5.937 480 H GLU 68 HN GLU 68 23.860 5.494 5.494 481 HA GLU 68 HA GLU 68 26.554 6.526 6.526 482 1HB GLU 68 HB2 GLU 68 24.558 6.421 6.421 483 2HB GLU 68 HB1 GLU 68 26.078 7.331 7.331 484 1HG GLU 68 HG2 GLU 68 24.081 7.740 7.740 485 2HG GLU 68 HG1 GLU 68 23.949 8.620 8.620 486 H GLN 69 HN GLN 69 25.461 3.513 3.513 487 HA GLN 69 HA GLN 69 27.689 2.897 2.897 488 1HB GLN 69 HB2 GLN 69 25.787 0.771 0.771 489 2HB GLN 69 HB1 GLN 69 26.273 1.627 1.627 490 1HG GLN 69 HG2 GLN 69 24.190 2.569 2.569 491 2HG GLN 69 HG1 GLN 69 23.845 1.888 1.888 492 1HE2 GLN 69 HE22 GLN 69 25.911 5.112 5.112 493 2HE2 GLN 69 HE21 GLN 69 26.593 3.595 3.595 494 H ILE 70 HN ILE 70 26.111 2.229 2.229 495 HA ILE 70 HA ILE 70 27.590 -0.076 -0.076 496 HB ILE 70 HB ILE 70 26.622 2.398 2.398 497 1HG1 ILE 70 HG12 ILE 70 24.998 0.646 0.646 498 2HG1 ILE 70 HG11 ILE 70 24.929 0.932 0.932 499 1HG2 ILE 70 HG21 ILE 70 28.675 1.499 1.499 500 2HG2 ILE 70 HG23 ILE 70 27.889 -0.074 -0.074 501 3HG2 ILE 70 HG22 ILE 70 27.241 1.310 1.310 502 1HD1 ILE 70 HD13 ILE 70 26.767 -1.179 -1.179 503 2HD1 ILE 70 HD12 ILE 70 25.049 -1.534 -1.534 504 3HD1 ILE 70 HD11 ILE 70 26.008 -1.075 -1.075 505 H GLN 71 HN GLN 71 28.290 3.190 3.190 506 HA GLN 71 HA GLN 71 31.026 3.186 3.186 507 1HB GLN 71 HB2 GLN 71 28.952 5.122 5.122 508 2HB GLN 71 HB1 GLN 71 30.640 5.603 5.603 509 1HG GLN 71 HG2 GLN 71 30.328 4.397 4.397 510 2HG GLN 71 HG1 GLN 71 28.958 5.491 5.491 511 1HE2 GLN 71 HE22 GLN 71 31.514 8.165 8.165 512 2HE2 GLN 71 HE21 GLN 71 30.387 7.332 7.332 513 H ASP 72 HN ASP 72 29.330 4.252 4.252 514 HA ASP 72 HA ASP 72 31.480 4.558 4.558 515 1HB ASP 72 HB2 ASP 72 28.579 4.061 4.061 516 2HB ASP 72 HB1 ASP 72 29.597 3.767 3.767 517 H VAL 73 HN VAL 73 29.511 1.617 1.617 518 HA VAL 73 HA VAL 73 30.768 -0.025 -0.025 519 HB VAL 73 HB VAL 73 29.946 -0.978 -0.978 520 1HG1 VAL 73 HG13 VAL 73 30.142 -2.151 -2.151 521 2HG1 VAL 73 HG12 VAL 73 29.074 -2.869 -2.869 522 3HG1 VAL 73 HG11 VAL 73 30.807 -2.767 -2.767 523 1HG2 VAL 73 HG22 VAL 73 28.389 0.575 0.575 524 2HG2 VAL 73 HG21 VAL 73 27.820 -0.406 -0.406 525 3HG2 VAL 73 HG23 VAL 73 27.862 -1.082 -1.082 526 H ALA 74 HN ALA 74 31.787 1.028 1.028 527 HA ALA 74 HA ALA 74 34.052 -0.830 -0.830 528 1HB ALA 74 HB3 ALA 74 33.275 1.626 1.626 529 2HB ALA 74 HB2 ALA 74 34.803 0.786 0.786 530 3HB ALA 74 HB1 ALA 74 33.276 -0.057 -0.057 531 H ALA 75 HN ALA 75 34.028 2.766 2.766 532 HA ALA 75 HA ALA 75 36.653 3.060 3.060 533 1HB ALA 75 HB1 ALA 75 34.121 4.633 4.633 534 2HB ALA 75 HB3 ALA 75 35.335 5.050 5.050 535 3HB ALA 75 HB2 ALA 75 35.740 5.141 5.141 536 H TYR 76 HN TYR 76 33.793 1.876 1.876 537 HA TYR 76 HA TYR 76 34.288 2.140 2.140 538 1HB TYR 76 HB2 TYR 76 32.070 1.636 1.636 539 2HB TYR 76 HB1 TYR 76 32.628 0.287 0.287 540 HD1 TYR 76 HD1 TYR 76 32.090 1.449 1.449 541 HD2 TYR 76 HD2 TYR 76 32.926 -1.887 -1.887 542 HE1 TYR 76 HE1 TYR 76 31.667 0.007 0.007 543 HE2 TYR 76 HE2 TYR 76 32.471 -3.399 -3.399 544 HH TYR 76 HH TYR 76 31.673 -2.082 -2.082 545 H VAL 77 HN VAL 77 34.901 -0.530 -0.530 546 HA VAL 77 HA VAL 77 36.090 -2.237 -2.237 547 HB VAL 77 HB VAL 77 35.342 -3.275 -3.275 548 1HG1 VAL 77 HG11 VAL 77 36.834 -1.060 -1.060 549 2HG1 VAL 77 HG13 VAL 77 36.426 -2.517 -2.517 550 3HG1 VAL 77 HG12 VAL 77 35.143 -1.529 -1.529 551 1HG2 VAL 77 HG23 VAL 77 37.974 -3.577 -3.577 552 2HG2 VAL 77 HG22 VAL 77 37.156 -4.616 -4.616 553 3HG2 VAL 77 HG21 VAL 77 38.134 -3.259 -3.259 554 H LEU 78 HN LEU 78 37.169 0.463 0.463 555 HA LEU 78 HA LEU 78 40.026 -0.085 -0.085 556 1HB LEU 78 HB2 LEU 78 38.980 2.677 2.677 557 2HB LEU 78 HB1 LEU 78 40.398 1.879 1.879 558 HG LEU 78 HG LEU 78 37.494 1.402 1.402 559 1HD1 LEU 78 HD12 LEU 78 39.929 2.375 2.375 560 2HD1 LEU 78 HD11 LEU 78 38.395 1.962 1.962 561 3HD1 LEU 78 HD13 LEU 78 38.476 3.298 3.298 562 1HD2 LEU 78 HD21 LEU 78 39.971 -0.125 -0.125 563 2HD2 LEU 78 HD23 LEU 78 38.653 -0.761 -0.761 564 3HD2 LEU 78 HD22 LEU 78 38.366 -0.325 -0.325 565 H ASP 79 HN ASP 79 37.513 1.053 1.053 566 HA ASP 79 HA ASP 79 39.249 2.634 2.634 567 1HB ASP 79 HB2 ASP 79 36.723 3.032 3.032 568 2HB ASP 79 HB1 ASP 79 36.403 2.169 2.169 569 H GLN 80 HN GLN 80 37.301 -0.273 -0.273 570 HA GLN 80 HA GLN 80 37.562 -0.934 -0.934 571 1HB GLN 80 HB2 GLN 80 36.847 -2.800 -2.800 572 2HB GLN 80 HB1 GLN 80 36.382 -2.923 -2.923 573 1HG GLN 80 HG2 GLN 80 35.605 -0.375 -0.375 574 2HG GLN 80 HG1 GLN 80 34.847 -1.776 -1.776 575 1HE2 GLN 80 HE22 GLN 80 33.361 -0.529 -0.529 576 2HE2 GLN 80 HE21 GLN 80 34.300 0.424 0.424 577 H ALA 81 HN ALA 81 39.150 -1.988 -1.988 578 HA ALA 81 HA ALA 81 40.759 -4.012 -4.012 579 1HB ALA 81 HB1 ALA 81 40.322 -3.174 -3.174 580 2HB ALA 81 HB3 ALA 81 42.027 -2.838 -2.838 581 3HB ALA 81 HB2 ALA 81 41.399 -4.466 -4.466 582 H ALA 82 HN ALA 82 41.023 -0.581 -0.581 583 HA ALA 82 HA ALA 82 43.830 -0.540 -0.540 584 1HB ALA 82 HB1 ALA 82 42.240 1.139 1.139 585 2HB ALA 82 HB3 ALA 82 42.447 2.029 2.029 586 3HB ALA 82 HB2 ALA 82 43.861 1.515 1.515 587 H LYS 83 HN LYS 83 41.273 -1.193 -1.193 588 HA LYS 83 HA LYS 83 42.563 -0.034 -0.034 589 1HB LYS 83 HB2 LYS 83 40.900 1.492 1.492 590 2HB LYS 83 HB1 LYS 83 41.134 1.833 1.833 591 1HG LYS 83 HG2 LYS 83 39.185 0.368 0.368 592 2HG LYS 83 HG1 LYS 83 38.928 0.130 0.130 593 1HD LYS 83 HD2 LYS 83 38.851 2.711 2.711 594 2HD LYS 83 HD1 LYS 83 38.644 2.671 2.671 595 1HE LYS 83 HE2 LYS 83 36.451 2.271 2.271 596 2HE LYS 83 HE1 LYS 83 36.870 0.734 0.734 597 1HZ LYS 83 HZ1 LYS 83 37.123 3.154 3.154 598 2HZ LYS 83 HZ3 LYS 83 35.555 2.599 2.599 599 3HZ LYS 83 HZ2 LYS 83 36.665 1.584 1.584 600 H GLY 84 HN GLY 84 41.608 -2.732 -2.732 601 1HA GLY 84 HA2 GLY 84 40.996 -4.528 -4.528 602 2HA GLY 84 HA1 GLY 84 40.261 -3.347 -3.347 603 H TRP 85 HN TRP 85 39.889 -4.831 -4.831 604 HA TRP 85 HA TRP 85 37.429 -4.058 -4.058 605 1HB TRP 85 HB2 TRP 85 38.980 -6.492 -6.492 606 2HB TRP 85 HB1 TRP 85 37.265 -6.870 -6.870 607 HD1 TRP 85 HD1 TRP 85 39.827 -6.121 -6.121 608 HE1 TRP 85 HE1 TRP 85 38.805 -5.229 -5.229 609 HE3 TRP 85 HE3 TRP 85 35.147 -5.011 -5.011 610 HZ2 TRP 85 HZ2 TRP 85 36.310 -4.191 -4.191 611 HZ3 TRP 85 HZ3 TRP 85 33.468 -4.052 -4.052 612 HH2 TRP 85 HH2 TRP 85 34.041 -3.633 -3.633 613 H ALA 86 HN ALA 86 36.110 -3.385 -3.385 614 HA ALA 86 HA ALA 86 35.305 -4.993 -4.993 615 1HB ALA 86 HB3 ALA 86 34.917 -2.486 -2.486 616 2HB ALA 86 HB2 ALA 86 33.540 -2.940 -2.940 617 3HB ALA 86 HB1 ALA 86 33.576 -3.392 -3.392 618 H GLY 87 HN GLY 87 34.063 -4.729 -4.729 619 1HA GLY 87 HA2 GLY 87 32.323 -5.896 -5.896 620 2HA GLY 87 HA1 GLY 87 33.088 -7.282 -7.282 621 HHA HEC 88 HA HEM 88 35.920 -10.552 -10.552 622 HHB HEC 88 HB HEM 88 33.953 -5.852 -5.852 623 HHC HEC 88 HC HEM 88 28.221 -8.569 -8.569 624 HHD HEC 88 HD HEM 88 30.510 -13.659 -13.659 625 1HMA HEC 88 HMA1 HEM 88 36.430 -5.323 -5.323 626 2HMA HEC 88 HMA2 HEM 88 37.565 -6.479 -6.479 627 3HMA HEC 88 HMA3 HEM 88 36.134 -5.845 -5.845 628 1HAA HEC 88 HAA1 HEM 88 37.651 -9.590 -9.590 629 2HAA HEC 88 HAA2 HEM 88 38.193 -8.033 -8.033 630 1HBA HEC 88 HBA1 HEM 88 36.499 -7.961 -7.961 631 2HBA HEC 88 HBA2 HEM 88 37.747 -6.800 -6.800 632 1HMB HEC 88 HMB1 HEM 88 31.167 -4.805 -4.805 633 2HMB HEC 88 HMB2 HEM 88 31.604 -4.023 -4.023 634 3HMB HEC 88 HMB3 HEM 88 32.837 -4.983 -4.983 635 HAB HEC 88 HAB HEM 88 28.017 -6.754 -6.754 636 1HBB HEC 88 HBB1 HEM 88 29.211 -3.956 -3.956 637 2HBB HEC 88 HBB2 HEM 88 28.984 -5.067 -5.067 638 3HBB HEC 88 HBB3 HEM 88 27.561 -4.552 -4.552 639 1HMC HEC 88 HMC1 HEM 88 26.251 -10.213 -10.213 640 2HMC HEC 88 HMC2 HEM 88 26.338 -11.829 -11.829 641 3HMC HEC 88 HMC3 HEM 88 26.885 -10.348 -10.348 642 HAC HEC 88 HAC HEM 88 29.031 -14.209 -14.209 643 1HBC HEC 88 HBC1 HEM 88 26.729 -14.893 -14.893 644 2HBC HEC 88 HBC2 HEM 88 26.116 -13.227 -13.227 645 3HBC HEC 88 HBC3 HEM 88 27.166 -13.538 -13.538 646 1HMD HEC 88 HMD1 HEM 88 32.450 -14.619 -14.619 647 2HMD HEC 88 HMD2 HEM 88 33.460 -15.330 -15.330 648 3HMD HEC 88 HMD3 HEM 88 31.713 -14.972 -14.972 649 1HAD HEC 88 HAD1 HEM 88 35.533 -14.126 -14.126 650 2HAD HEC 88 HAD2 HEM 88 36.206 -12.455 -12.455 651 1HBD HEC 88 HBD1 HEM 88 35.129 -14.019 -14.019 652 2HBD HEC 88 HBD2 HEM 88 34.089 -12.557 -12.557 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 31.307 12.235 12.235 2 2H ALA 1 HT3 ALA 1 32.093 12.096 12.096 3 3H ALA 1 HT2 ALA 1 33.005 12.245 12.245 4 HA ALA 1 HA ALA 1 33.097 10.056 10.056 5 1HB ALA 1 HB3 ALA 1 31.894 10.485 10.485 6 2HB ALA 1 HB2 ALA 1 31.090 9.107 9.107 7 3HB ALA 1 HB1 ALA 1 32.840 9.097 9.097 8 H ASP 2 HN ASP 2 32.252 9.003 9.003 9 HA ASP 2 HA ASP 2 29.283 9.085 9.085 10 1HB ASP 2 HB2 ASP 2 31.419 9.064 9.064 11 2HB ASP 2 HB1 ASP 2 29.672 9.076 9.076 12 H LEU 3 HN LEU 3 32.205 7.176 7.176 13 HA LEU 3 HA LEU 3 31.079 4.865 4.865 14 1HB LEU 3 HB2 LEU 3 33.344 4.915 4.915 15 2HB LEU 3 HB1 LEU 3 33.020 3.664 3.664 16 HG LEU 3 HG LEU 3 34.145 6.421 6.421 17 1HD1 LEU 3 HD11 LEU 3 35.268 3.986 3.986 18 2HD1 LEU 3 HD13 LEU 3 34.777 4.045 4.045 19 3HD1 LEU 3 HD12 LEU 3 35.858 5.280 5.280 20 1HD2 LEU 3 HD22 LEU 3 32.323 4.952 4.952 21 2HD2 LEU 3 HD21 LEU 3 32.417 6.681 6.681 22 3HD2 LEU 3 HD23 LEU 3 33.660 5.902 5.902 23 H ALA 4 HN ALA 4 30.304 6.287 6.287 24 HA ALA 4 HA ALA 4 29.934 4.012 4.012 25 1HB ALA 4 HB2 ALA 4 29.283 6.790 6.790 26 2HB ALA 4 HB1 ALA 4 27.783 5.899 5.899 27 3HB ALA 4 HB3 ALA 4 29.164 5.620 5.620 28 H ASN 5 HN ASN 5 28.351 5.356 5.356 29 HA ASN 5 HA ASN 5 25.894 3.819 3.819 30 1HB ASN 5 HB2 ASN 5 27.098 5.853 5.853 31 2HB ASN 5 HB1 ASN 5 26.531 4.538 4.538 32 1HD2 ASN 5 HD22 ASN 5 23.671 6.270 6.270 33 2HD2 ASN 5 HD21 ASN 5 25.228 5.977 5.977 34 H GLY 6 HN GLY 6 29.104 3.466 3.466 35 1HA GLY 6 HA2 GLY 6 28.706 1.256 1.256 36 2HA GLY 6 HA1 GLY 6 30.203 1.567 1.567 37 H ALA 7 HN ALA 7 29.836 1.092 1.092 38 HA ALA 7 HA ALA 7 29.610 -1.652 -1.652 39 1HB ALA 7 HB1 ALA 7 29.641 0.702 0.702 40 2HB ALA 7 HB3 ALA 7 28.655 -0.598 -0.598 41 3HB ALA 7 HB2 ALA 7 30.346 -0.895 -0.895 42 H LYS 8 HN LYS 8 27.050 0.778 0.778 43 HA LYS 8 HA LYS 8 24.974 -0.862 -0.862 44 1HB LYS 8 HB2 LYS 8 24.315 1.357 1.357 45 2HB LYS 8 HB1 LYS 8 25.089 1.579 1.579 46 1HG LYS 8 HG2 LYS 8 22.865 -0.375 -0.375 47 2HG LYS 8 HG1 LYS 8 22.386 1.288 1.288 48 1HD LYS 8 HD2 LYS 8 23.891 0.271 0.271 49 2HD LYS 8 HD1 LYS 8 22.269 0.959 0.959 50 1HE LYS 8 HE2 LYS 8 24.042 2.821 2.821 51 2HE LYS 8 HE1 LYS 8 24.757 2.321 2.321 52 1HZ LYS 8 HZ1 LYS 8 22.079 2.667 2.667 53 2HZ LYS 8 HZ3 LYS 8 22.488 3.974 3.974 54 3HZ LYS 8 HZ2 LYS 8 23.337 3.715 3.715 55 H VAL 9 HN VAL 9 26.094 -0.304 -0.304 56 HA VAL 9 HA VAL 9 24.226 -2.237 -2.237 57 HB VAL 9 HB VAL 9 26.663 -0.816 -0.816 58 1HG1 VAL 9 HG13 VAL 9 26.386 -3.097 -3.097 59 2HG1 VAL 9 HG12 VAL 9 24.758 -2.629 -2.629 60 3HG1 VAL 9 HG11 VAL 9 26.153 -1.780 -1.780 61 1HG2 VAL 9 HG23 VAL 9 23.722 -0.441 -0.441 62 2HG2 VAL 9 HG22 VAL 9 25.009 0.763 0.763 63 3HG2 VAL 9 HG21 VAL 9 24.528 -0.124 -0.124 64 H PHE 10 HN PHE 10 27.812 -2.275 -2.275 65 HA PHE 10 HA PHE 10 28.239 -4.910 -4.910 66 1HB PHE 10 HB2 PHE 10 30.075 -3.378 -3.378 67 2HB PHE 10 HB1 PHE 10 29.672 -3.285 -3.285 68 HD1 PHE 10 HD1 PHE 10 29.702 -5.412 -5.412 69 HD2 PHE 10 HD2 PHE 10 31.495 -5.128 -5.128 70 HE1 PHE 10 HE1 PHE 10 31.019 -7.430 -7.430 71 HE2 PHE 10 HE2 PHE 10 32.821 -7.165 -7.165 72 HZ PHE 10 HZ PHE 10 32.590 -8.324 -8.324 73 H SER 11 HN SER 11 26.812 -3.762 -3.762 74 HA SER 11 HA SER 11 27.130 -6.371 -6.371 75 1HB SER 11 HB2 SER 11 25.675 -3.868 -3.868 76 2HB SER 11 HB1 SER 11 26.002 -5.292 -5.292 77 HG SER 11 HG SER 11 28.180 -4.884 -4.884 78 H GLY 12 HN GLY 12 25.573 -6.150 -6.150 79 1HA GLY 12 HA2 GLY 12 23.215 -7.558 -7.558 80 2HA GLY 12 HA1 GLY 12 22.837 -5.994 -5.994 81 H ASN 13 HN ASN 13 25.055 -6.172 -6.172 82 HA ASN 13 HA ASN 13 23.891 -8.301 -8.301 83 1HB ASN 13 HB2 ASN 13 25.254 -5.848 -5.848 84 2HB ASN 13 HB1 ASN 13 24.013 -6.856 -6.856 85 1HD2 ASN 13 HD22 ASN 13 22.894 -3.928 -3.928 86 2HD2 ASN 13 HD21 ASN 13 24.517 -4.449 -4.449 87 H CYS 14 HN CYS 14 26.797 -6.340 -6.340 88 HA CYS 14 HA CYS 14 28.550 -8.116 -8.116 89 1HB CYS 14 HB2 CYS 14 29.385 -6.257 -6.257 90 2HB CYS 14 HB1 CYS 14 30.297 -6.717 -6.717 91 H ALA 15 HN ALA 15 27.374 -7.925 -7.925 92 HA ALA 15 HA ALA 15 29.266 -9.608 -9.608 93 1HB ALA 15 HB3 ALA 15 27.107 -8.211 -8.211 94 2HB ALA 15 HB2 ALA 15 26.439 -9.842 -9.842 95 3HB ALA 15 HB1 ALA 15 27.876 -9.470 -9.470 96 H ALA 16 HN ALA 16 26.328 -10.391 -10.391 97 HA ALA 16 HA ALA 16 26.184 -13.152 -13.152 98 1HB ALA 16 HB1 ALA 16 24.568 -11.589 -11.589 99 2HB ALA 16 HB3 ALA 16 25.486 -12.186 -12.186 100 3HB ALA 16 HB2 ALA 16 24.619 -13.317 -13.317 101 H CYS 17 HN CYS 17 28.598 -11.523 -11.523 102 HA CYS 17 HA CYS 17 29.677 -14.142 -14.142 103 1HB CYS 17 HB2 CYS 17 29.370 -11.726 -11.726 104 2HB CYS 17 HB1 CYS 17 30.300 -13.148 -13.148 105 H HIS 18 HN HIS 18 30.307 -12.003 -12.003 106 HA HIS 18 HA HIS 18 33.191 -11.987 -11.987 107 1HB HIS 18 HB2 HIS 18 31.526 -9.457 -9.457 108 2HB HIS 18 HB1 HIS 18 33.257 -9.460 -9.460 109 HD1 HIS 18 HD1 HIS 18 34.851 -10.101 -10.101 110 HD2 HIS 18 HD2 HIS 18 30.857 -9.952 -9.952 111 HE1 HIS 18 HE1 HIS 18 34.849 -10.194 -10.194 112 H MET 19 HN MET 19 30.976 -10.028 -10.028 113 HA MET 19 HA MET 19 30.879 -9.739 -9.739 114 1HB MET 19 HB2 MET 19 30.741 -12.483 -12.483 115 2HB MET 19 HB1 MET 19 31.800 -12.313 -12.313 116 1HG MET 19 HG2 MET 19 30.123 -11.531 -11.531 117 2HG MET 19 HG1 MET 19 29.335 -10.660 -10.660 118 1HE MET 19 HE1 MET 19 27.162 -11.090 -11.090 119 2HE MET 19 HE3 MET 19 26.290 -12.629 -12.629 120 3HE MET 19 HE2 MET 19 27.281 -12.132 -12.132 121 H GLY 20 HN GLY 20 32.445 -8.426 -8.426 122 1HA GLY 20 HA2 GLY 20 34.583 -7.716 -7.716 123 2HA GLY 20 HA1 GLY 20 34.641 -9.311 -9.311 124 H GLY 21 HN GLY 21 34.931 -7.934 -7.934 125 1HA GLY 21 HA2 GLY 21 36.286 -8.651 -8.651 126 2HA GLY 21 HA1 GLY 21 37.554 -8.505 -8.505 127 H GLY 22 HN GLY 22 35.003 -10.812 -10.812 128 1HA GLY 22 HA2 GLY 22 37.010 -12.980 -12.980 129 2HA GLY 22 HA1 GLY 22 35.617 -13.145 -13.145 130 H ASN 23 HN ASN 23 36.637 -13.037 -13.037 131 HA ASN 23 HA ASN 23 34.102 -13.253 -13.253 132 1HB ASN 23 HB2 ASN 23 36.872 -13.599 -13.599 133 2HB ASN 23 HB1 ASN 23 35.896 -14.876 -14.876 134 1HD2 ASN 23 HD22 ASN 23 33.849 -12.436 -12.436 135 2HD2 ASN 23 HD21 ASN 23 33.644 -13.852 -13.852 136 H VAL 24 HN VAL 24 32.829 -15.064 -15.064 137 HA VAL 24 HA VAL 24 33.326 -17.453 -17.453 138 HB VAL 24 HB VAL 24 30.974 -18.033 -18.033 139 1HG1 VAL 24 HG12 VAL 24 31.709 -16.381 -16.381 140 2HG1 VAL 24 HG11 VAL 24 31.083 -15.121 -15.121 141 3HG1 VAL 24 HG13 VAL 24 30.005 -16.379 -16.379 142 1HG2 VAL 24 HG23 VAL 24 31.084 -15.473 -15.473 143 2HG2 VAL 24 HG22 VAL 24 30.812 -17.100 -17.100 144 3HG2 VAL 24 HG21 VAL 24 29.600 -16.334 -16.334 145 H VAL 25 HN VAL 25 32.722 -16.555 -16.555 146 HA VAL 25 HA VAL 25 33.089 -19.334 -19.334 147 HB VAL 25 HB VAL 25 33.099 -16.928 -16.928 148 1HG1 VAL 25 HG11 VAL 25 32.139 -19.795 -19.795 149 2HG1 VAL 25 HG13 VAL 25 31.870 -18.577 -18.577 150 3HG1 VAL 25 HG12 VAL 25 33.512 -19.075 -19.075 151 1HG2 VAL 25 HG21 VAL 25 30.816 -18.109 -18.109 152 2HG2 VAL 25 HG23 VAL 25 31.188 -16.411 -16.411 153 3HG2 VAL 25 HG22 VAL 25 30.528 -17.416 -17.416 154 H MET 26 HN MET 26 34.802 -16.271 -16.271 155 HA MET 26 HA MET 26 37.196 -17.808 -17.808 156 1HB MET 26 HB2 MET 26 36.305 -14.961 -14.961 157 2HB MET 26 HB1 MET 26 38.044 -15.279 -15.279 158 1HG MET 26 HG2 MET 26 37.300 -15.296 -15.296 159 2HG MET 26 HG1 MET 26 37.696 -16.948 -16.948 160 1HE MET 26 HE3 MET 26 36.761 -17.337 -17.337 161 2HE MET 26 HE2 MET 26 35.252 -18.247 -18.247 162 3HE MET 26 HE1 MET 26 35.270 -16.595 -16.595 163 H ALA 27 HN ALA 27 37.845 -18.698 -18.698 164 HA ALA 27 HA ALA 27 38.138 -17.184 -17.184 165 1HB ALA 27 HB1 ALA 27 38.311 -19.803 -19.803 166 2HB ALA 27 HB3 ALA 27 40.033 -19.421 -19.421 167 3HB ALA 27 HB2 ALA 27 39.067 -19.097 -19.097 168 H ASN 28 HN ASN 28 40.215 -17.566 -17.566 169 HA ASN 28 HA ASN 28 42.555 -16.464 -16.464 170 1HB ASN 28 HB2 ASN 28 43.592 -16.628 -16.628 171 2HB ASN 28 HB1 ASN 28 42.400 -17.930 -17.930 172 1HD2 ASN 28 HD22 ASN 28 40.253 -16.172 -16.172 173 2HD2 ASN 28 HD21 ASN 28 40.191 -17.243 -17.243 174 H LYS 29 HN LYS 29 39.935 -15.172 -15.172 175 HA LYS 29 HA LYS 29 41.088 -12.455 -12.455 176 1HB LYS 29 HB2 LYS 29 39.437 -13.814 -13.814 177 2HB LYS 29 HB1 LYS 29 38.397 -12.605 -12.605 178 1HG LYS 29 HG2 LYS 29 39.392 -10.968 -10.968 179 2HG LYS 29 HG1 LYS 29 40.970 -11.435 -11.435 180 1HD LYS 29 HD2 LYS 29 41.028 -13.274 -13.274 181 2HD LYS 29 HD1 LYS 29 39.565 -12.582 -12.582 182 1HE LYS 29 HE2 LYS 29 40.987 -10.348 -10.348 183 2HE LYS 29 HE1 LYS 29 42.349 -11.470 -11.470 184 1HZ LYS 29 HZ3 LYS 29 40.218 -12.003 -12.003 185 2HZ LYS 29 HZ2 LYS 29 41.210 -10.660 -10.660 186 3HZ LYS 29 HZ1 LYS 29 41.895 -12.206 -12.206 187 H THR 30 HN THR 30 40.794 -11.518 -11.518 188 HA THR 30 HA THR 30 38.020 -11.606 -11.606 189 HB THR 30 HB THR 30 40.546 -11.398 -11.398 190 HG1 THR 30 HG1 THR 30 39.443 -13.559 -13.559 191 1HG2 THR 30 HG21 THR 30 37.642 -11.539 -11.539 192 2HG2 THR 30 HG23 THR 30 38.622 -12.589 -12.589 193 3HG2 THR 30 HG22 THR 30 38.923 -10.852 -10.852 194 H LEU 31 HN LEU 31 37.816 -9.690 -9.690 195 HA LEU 31 HA LEU 31 38.728 -7.252 -7.252 196 1HB LEU 31 HB2 LEU 31 36.978 -7.069 -7.069 197 2HB LEU 31 HB1 LEU 31 36.921 -6.161 -6.161 198 HG LEU 31 HG LEU 31 35.873 -8.935 -8.935 199 1HD1 LEU 31 HD12 LEU 31 34.632 -6.541 -6.541 200 2HD1 LEU 31 HD11 LEU 31 34.479 -6.909 -6.909 201 3HD1 LEU 31 HD13 LEU 31 33.821 -8.020 -8.020 202 1HD2 LEU 31 HD22 LEU 31 37.170 -8.002 -8.002 203 2HD2 LEU 31 HD21 LEU 31 36.509 -9.598 -9.598 204 3HD2 LEU 31 HD23 LEU 31 35.466 -8.339 -8.339 205 H LYS 32 HN LYS 32 39.648 -9.158 -9.158 206 HA LYS 32 HA LYS 32 40.277 -7.618 -7.618 207 1HB LYS 32 HB2 LYS 32 42.731 -8.726 -8.726 208 2HB LYS 32 HB1 LYS 32 41.315 -9.605 -9.605 209 1HG LYS 32 HG2 LYS 32 41.322 -9.747 -9.747 210 2HG LYS 32 HG1 LYS 32 42.945 -10.134 -10.134 211 1HD LYS 32 HD2 LYS 32 40.393 -11.388 -11.388 212 2HD LYS 32 HD1 LYS 32 41.515 -12.157 -12.157 213 1HE LYS 32 HE2 LYS 32 43.244 -11.437 -11.437 214 2HE LYS 32 HE1 LYS 32 41.786 -11.673 -11.673 215 1HZ LYS 32 HZ3 LYS 32 41.990 -13.767 -13.767 216 2HZ LYS 32 HZ2 LYS 32 43.485 -13.618 -13.618 217 3HZ LYS 32 HZ1 LYS 32 42.061 -13.848 -13.848 218 H LYS 33 HN LYS 33 43.168 -7.866 -7.866 219 HA LYS 33 HA LYS 33 43.213 -5.139 -5.139 220 1HB LYS 33 HB2 LYS 33 43.281 -4.599 -4.599 221 2HB LYS 33 HB1 LYS 33 44.630 -5.707 -5.707 222 1HG LYS 33 HG2 LYS 33 45.879 -4.306 -4.306 223 2HG LYS 33 HG1 LYS 33 44.603 -3.103 -3.103 224 1HD LYS 33 HD2 LYS 33 46.125 -2.380 -2.380 225 2HD LYS 33 HD1 LYS 33 45.169 -3.498 -3.498 226 1HE LYS 33 HE2 LYS 33 47.348 -4.210 -4.210 227 2HE LYS 33 HE1 LYS 33 46.893 -5.284 -5.284 228 1HZ LYS 33 HZ3 LYS 33 47.881 -3.494 -3.494 229 2HZ LYS 33 HZ2 LYS 33 48.611 -2.883 -2.883 230 3HZ LYS 33 HZ1 LYS 33 48.962 -4.459 -4.459 231 H GLU 34 HN GLU 34 45.035 -7.990 -7.990 232 HA GLU 34 HA GLU 34 47.420 -7.148 -7.148 233 1HB GLU 34 HB2 GLU 34 48.083 -9.610 -9.610 234 2HB GLU 34 HB1 GLU 34 47.877 -8.561 -8.561 235 1HG GLU 34 HG2 GLU 34 46.248 -9.888 -9.888 236 2HG GLU 34 HG1 GLU 34 45.336 -9.737 -9.737 237 H ALA 35 HN ALA 35 45.044 -9.761 -9.761 238 HA ALA 35 HA ALA 35 46.209 -10.426 -10.426 239 1HB ALA 35 HB1 ALA 35 44.015 -11.323 -11.323 240 2HB ALA 35 HB3 ALA 35 43.451 -11.083 -11.083 241 3HB ALA 35 HB2 ALA 35 44.811 -12.159 -12.159 242 H LEU 36 HN LEU 36 43.228 -8.592 -8.592 243 HA LEU 36 HA LEU 36 42.476 -7.925 -7.925 244 1HB LEU 36 HB2 LEU 36 41.790 -5.643 -5.643 245 2HB LEU 36 HB1 LEU 36 41.090 -7.084 -7.084 246 HG LEU 36 HG LEU 36 43.689 -6.231 -6.231 247 1HD1 LEU 36 HD11 LEU 36 41.775 -4.245 -4.245 248 2HD1 LEU 36 HD13 LEU 36 41.532 -4.694 -4.694 249 3HD1 LEU 36 HD12 LEU 36 43.118 -4.150 -4.150 250 1HD2 LEU 36 HD21 LEU 36 41.321 -7.727 -7.727 251 2HD2 LEU 36 HD23 LEU 36 42.870 -7.665 -7.665 252 3HD2 LEU 36 HD22 LEU 36 41.613 -6.484 -6.484 253 H GLU 37 HN GLU 37 45.338 -6.870 -6.870 254 HA GLU 37 HA GLU 37 45.819 -4.837 -4.837 255 1HB GLU 37 HB2 GLU 37 47.374 -5.570 -5.570 256 2HB GLU 37 HB1 GLU 37 47.790 -4.246 -4.246 257 1HG GLU 37 HG2 GLU 37 45.748 -3.100 -3.100 258 2HG GLU 37 HG1 GLU 37 45.054 -4.508 -4.508 259 H GLN 38 HN GLN 38 47.020 -8.012 -8.012 260 HA GLN 38 HA GLN 38 49.407 -8.109 -8.109 261 1HB GLN 38 HB2 GLN 38 47.351 -10.330 -10.330 262 2HB GLN 38 HB1 GLN 38 49.040 -10.541 -10.541 263 1HG GLN 38 HG2 GLN 38 47.916 -9.681 -9.681 264 2HG GLN 38 HG1 GLN 38 48.980 -11.046 -11.046 265 1HE2 GLN 38 HE22 GLN 38 51.710 -8.519 -8.519 266 2HE2 GLN 38 HE21 GLN 38 50.856 -9.622 -9.622 267 H PHE 39 HN PHE 39 46.055 -8.486 -8.486 268 HA PHE 39 HA PHE 39 46.806 -8.797 -8.797 269 1HB PHE 39 HB2 PHE 39 43.995 -8.215 -8.215 270 2HB PHE 39 HB1 PHE 39 44.706 -9.596 -9.596 271 HD1 PHE 39 HD1 PHE 39 45.682 -11.497 -11.497 272 HD2 PHE 39 HD2 PHE 39 43.149 -8.393 -8.393 273 HE1 PHE 39 HE1 PHE 39 45.138 -12.913 -12.913 274 HE2 PHE 39 HE2 PHE 39 42.605 -9.796 -9.796 275 HZ PHE 39 HZ PHE 39 43.599 -12.064 -12.064 276 H GLY 40 HN GLY 40 45.080 -6.440 -6.440 277 1HA GLY 40 HA2 GLY 40 45.832 -4.039 -4.039 278 2HA GLY 40 HA1 GLY 40 45.569 -4.397 -4.397 279 H MET 41 HN MET 41 43.289 -5.989 -5.989 280 HA MET 41 HA MET 41 41.158 -4.218 -4.218 281 1HB MET 41 HB2 MET 41 39.673 -5.908 -5.908 282 2HB MET 41 HB1 MET 41 41.092 -6.786 -6.786 283 1HG MET 41 HG2 MET 41 41.881 -6.483 -6.483 284 2HG MET 41 HG1 MET 41 40.140 -6.333 -6.333 285 1HE MET 41 HE3 MET 41 39.765 -7.856 -7.856 286 2HE MET 41 HE2 MET 41 39.201 -9.453 -9.453 287 3HE MET 41 HE1 MET 41 40.823 -9.263 -9.263 288 H TYR 42 HN TYR 42 43.230 -3.671 -3.671 289 HA TYR 42 HA TYR 42 41.369 -3.156 -3.156 290 1HB TYR 42 HB2 TYR 42 43.551 -3.877 -3.877 291 2HB TYR 42 HB1 TYR 42 44.321 -2.696 -2.696 292 HD1 TYR 42 HD1 TYR 42 41.629 -2.468 -2.468 293 HD2 TYR 42 HD2 TYR 42 45.431 -1.058 -1.058 294 HE1 TYR 42 HE1 TYR 42 41.726 -0.843 -0.843 295 HE2 TYR 42 HE2 TYR 42 45.522 0.572 0.572 296 HH TYR 42 HH TYR 42 43.001 0.635 0.635 297 H SER 43 HN SER 43 41.542 -1.671 -1.671 298 HA SER 43 HA SER 43 41.650 1.105 1.105 299 1HB SER 43 HB2 SER 43 42.315 1.812 1.812 300 2HB SER 43 HB1 SER 43 42.877 0.140 0.140 301 HG SER 43 HG SER 43 41.277 1.247 1.247 302 H GLU 44 HN GLU 44 39.880 2.536 2.536 303 HA GLU 44 HA GLU 44 37.271 1.509 1.509 304 1HB GLU 44 HB2 GLU 44 38.399 4.019 4.019 305 2HB GLU 44 HB1 GLU 44 37.429 4.104 4.104 306 1HG GLU 44 HG2 GLU 44 35.522 3.088 3.088 307 2HG GLU 44 HG1 GLU 44 36.506 3.429 3.429 308 H ASP 45 HN ASP 45 38.738 2.988 2.988 309 HA ASP 45 HA ASP 45 36.647 2.415 2.415 310 1HB ASP 45 HB2 ASP 45 38.771 3.712 3.712 311 2HB ASP 45 HB1 ASP 45 39.518 2.147 2.147 312 H ALA 46 HN ALA 46 38.890 0.202 0.202 313 HA ALA 46 HA ALA 46 38.476 -1.947 -1.947 314 1HB ALA 46 HB1 ALA 46 40.048 -1.494 -1.494 315 2HB ALA 46 HB3 ALA 46 39.313 -3.098 -3.098 316 3HB ALA 46 HB2 ALA 46 40.352 -2.601 -2.601 317 H ILE 47 HN ILE 47 37.789 -2.104 -2.104 318 HA ILE 47 HA ILE 47 35.777 -4.078 -4.078 319 HB ILE 47 HB ILE 47 36.977 -3.459 -3.459 320 1HG1 ILE 47 HG12 ILE 47 33.973 -3.128 -3.128 321 2HG1 ILE 47 HG11 ILE 47 34.851 -4.651 -4.651 322 1HG2 ILE 47 HG23 ILE 47 36.166 -0.864 -0.864 323 2HG2 ILE 47 HG22 ILE 47 35.300 -1.254 -1.254 324 3HG2 ILE 47 HG21 ILE 47 37.061 -1.348 -1.348 325 1HD1 ILE 47 HD12 ILE 47 36.103 -3.668 -3.668 326 2HD1 ILE 47 HD11 ILE 47 34.942 -2.344 -2.344 327 3HD1 ILE 47 HD13 ILE 47 34.394 -3.988 -3.988 328 H ILE 48 HN ILE 48 35.676 -0.761 -0.761 329 HA ILE 48 HA ILE 48 32.849 -0.307 -0.307 330 HB ILE 48 HB ILE 48 35.022 1.127 1.127 331 1HG1 ILE 48 HG12 ILE 48 33.172 1.950 1.950 332 2HG1 ILE 48 HG11 ILE 48 34.835 1.404 1.404 333 1HG2 ILE 48 HG22 ILE 48 32.164 1.238 1.238 334 2HG2 ILE 48 HG21 ILE 48 32.793 2.797 2.797 335 3HG2 ILE 48 HG23 ILE 48 33.491 2.004 2.004 336 1HD1 ILE 48 HD11 ILE 48 34.103 3.748 3.748 337 2HD1 ILE 48 HD13 ILE 48 34.491 3.936 3.936 338 3HD1 ILE 48 HD12 ILE 48 35.700 3.301 3.301 339 H TYR 49 HN TYR 49 34.850 -1.339 -1.339 340 HA TYR 49 HA TYR 49 32.503 -1.600 -1.600 341 1HB TYR 49 HB2 TYR 49 34.652 -0.896 -0.896 342 2HB TYR 49 HB1 TYR 49 35.407 -2.384 -2.384 343 HD1 TYR 49 HD1 TYR 49 34.576 -4.606 -4.606 344 HD2 TYR 49 HD2 TYR 49 33.357 -0.860 -0.860 345 HE1 TYR 49 HE1 TYR 49 33.800 -5.784 -5.784 346 HE2 TYR 49 HE2 TYR 49 32.575 -2.038 -2.038 347 HH TYR 49 HH TYR 49 33.392 -5.264 -5.264 348 H GLN 50 HN GLN 50 34.223 -3.461 -3.461 349 HA GLN 50 HA GLN 50 33.423 -6.062 -6.062 350 1HB GLN 50 HB2 GLN 50 35.440 -6.369 -6.369 351 2HB GLN 50 HB1 GLN 50 35.151 -5.065 -5.065 352 1HG GLN 50 HG2 GLN 50 35.057 -6.906 -6.906 353 2HG GLN 50 HG1 GLN 50 33.358 -6.745 -6.745 354 1HE2 GLN 50 HE22 GLN 50 35.393 -9.637 -9.637 355 2HE2 GLN 50 HE21 GLN 50 36.110 -8.115 -8.115 356 H VAL 51 HN VAL 51 32.196 -3.673 -3.673 357 HA VAL 51 HA VAL 51 30.289 -5.555 -5.555 358 HB VAL 51 HB VAL 51 30.681 -2.568 -2.568 359 1HG1 VAL 51 HG11 VAL 51 28.584 -4.321 -4.321 360 2HG1 VAL 51 HG13 VAL 51 29.480 -3.856 -3.856 361 3HG1 VAL 51 HG12 VAL 51 28.787 -2.617 -2.617 362 1HG2 VAL 51 HG22 VAL 51 32.413 -4.540 -4.540 363 2HG2 VAL 51 HG21 VAL 51 32.219 -3.000 -3.000 364 3HG2 VAL 51 HG23 VAL 51 31.362 -4.427 -4.427 365 H GLN 52 HN GLN 52 30.446 -2.831 -2.831 366 HA GLN 52 HA GLN 52 27.636 -2.382 -2.382 367 1HB GLN 52 HB2 GLN 52 30.094 -1.404 -1.404 368 2HB GLN 52 HB1 GLN 52 28.732 -1.387 -1.387 369 1HG GLN 52 HG2 GLN 52 27.554 -0.436 -0.436 370 2HG GLN 52 HG1 GLN 52 29.193 0.182 0.182 371 1HE2 GLN 52 HE22 GLN 52 28.782 1.766 1.766 372 2HE2 GLN 52 HE21 GLN 52 29.712 0.443 0.443 373 H HIS 53 HN HIS 53 29.573 -4.901 -4.901 374 HA HIS 53 HA HIS 53 27.280 -5.657 -5.657 375 1HB HIS 53 HB2 HIS 53 29.790 -5.882 -5.882 376 2HB HIS 53 HB1 HIS 53 28.195 -5.486 -5.486 377 HD1 HIS 53 HD1 HIS 53 28.233 -3.170 -3.170 378 HD2 HIS 53 HD2 HIS 53 30.616 -3.438 -3.438 379 HE1 HIS 53 HE1 HIS 53 29.172 -0.851 -0.851 380 H GLY 54 HN GLY 54 28.971 -6.593 -6.593 381 1HA GLY 54 HA2 GLY 54 29.556 -8.757 -8.757 382 2HA GLY 54 HA1 GLY 54 28.991 -9.334 -9.334 383 H LYS 55 HN LYS 55 30.739 -10.596 -10.596 384 HA LYS 55 HA LYS 55 32.703 -10.002 -10.002 385 1HB LYS 55 HB2 LYS 55 33.391 -8.722 -8.722 386 2HB LYS 55 HB1 LYS 55 34.636 -9.828 -9.828 387 1HG LYS 55 HG2 LYS 55 34.674 -7.347 -7.347 388 2HG LYS 55 HG1 LYS 55 35.009 -8.681 -8.681 389 1HD LYS 55 HD2 LYS 55 32.176 -8.233 -8.233 390 2HD LYS 55 HD1 LYS 55 32.970 -6.675 -6.675 391 1HE LYS 55 HE2 LYS 55 33.246 -9.142 -9.142 392 2HE LYS 55 HE1 LYS 55 32.767 -7.516 -7.516 393 1HZ LYS 55 HZ1 LYS 55 35.198 -7.117 -7.117 394 2HZ LYS 55 HZ3 LYS 55 35.398 -8.628 -8.628 395 3HZ LYS 55 HZ2 LYS 55 34.898 -7.289 -7.289 396 H ASN 56 HN ASN 56 33.191 -11.984 -11.984 397 HA ASN 56 HA ASN 56 33.808 -14.223 -14.223 398 1HB ASN 56 HB2 ASN 56 34.814 -13.327 -13.327 399 2HB ASN 56 HB1 ASN 56 35.073 -14.952 -14.952 400 1HD2 ASN 56 HD22 ASN 56 37.210 -11.810 -11.810 401 2HD2 ASN 56 HD21 ASN 56 35.928 -11.535 -11.535 402 H ALA 57 HN ALA 57 33.194 -14.024 -14.024 403 HA ALA 57 HA ALA 57 30.594 -15.435 -15.435 404 1HB ALA 57 HB2 ALA 57 32.944 -16.191 -16.191 405 2HB ALA 57 HB1 ALA 57 31.361 -16.404 -16.404 406 3HB ALA 57 HB3 ALA 57 31.733 -17.216 -17.216 407 H MET 58 HN MET 58 31.287 -12.582 -12.582 408 HA MET 58 HA MET 58 30.099 -12.167 -12.167 409 1HB MET 58 HB2 MET 58 32.122 -10.957 -10.957 410 2HB MET 58 HB1 MET 58 31.821 -10.480 -10.480 411 1HG MET 58 HG2 MET 58 30.913 -8.590 -8.590 412 2HG MET 58 HG1 MET 58 29.674 -9.466 -9.466 413 1HE MET 58 HE2 MET 58 29.656 -7.294 -7.294 414 2HE MET 58 HE1 MET 58 29.547 -7.969 -7.969 415 3HE MET 58 HE3 MET 58 30.697 -6.670 -6.670 416 HA PRO 59 HA PRO 59 26.300 -11.120 -11.120 417 1HB PRO 59 HB2 PRO 59 25.162 -9.834 -9.834 418 2HB PRO 59 HB1 PRO 59 25.296 -11.589 -11.589 419 1HG PRO 59 HG2 PRO 59 26.857 -9.715 -9.715 420 2HG PRO 59 HG1 PRO 59 26.502 -11.428 -11.428 421 1HD PRO 59 HD2 PRO 59 28.946 -10.372 -10.372 422 2HD PRO 59 HD1 PRO 59 28.450 -12.071 -12.071 423 H ALA 60 HN ALA 60 26.450 -9.545 -9.545 424 HA ALA 60 HA ALA 60 27.133 -6.818 -6.818 425 1HB ALA 60 HB1 ALA 60 25.229 -8.273 -8.273 426 2HB ALA 60 HB3 ALA 60 25.757 -6.614 -6.614 427 3HB ALA 60 HB2 ALA 60 26.923 -7.936 -7.936 428 H PHE 61 HN PHE 61 26.121 -5.285 -5.285 429 HA PHE 61 HA PHE 61 23.312 -5.678 -5.678 430 1HB PHE 61 HB2 PHE 61 25.218 -3.450 -3.450 431 2HB PHE 61 HB1 PHE 61 23.662 -3.792 -3.792 432 HD1 PHE 61 HD1 PHE 61 23.684 -6.726 -6.726 433 HD2 PHE 61 HD2 PHE 61 26.798 -3.955 -3.955 434 HE1 PHE 61 HE1 PHE 61 24.753 -8.446 -8.446 435 HE2 PHE 61 HE2 PHE 61 27.883 -5.677 -5.677 436 HZ PHE 61 HZ PHE 61 26.858 -7.920 -7.920 437 H ALA 62 HN ALA 62 25.355 -3.317 -3.317 438 HA ALA 62 HA ALA 62 24.753 -1.567 -1.567 439 1HB ALA 62 HB2 ALA 62 24.148 -3.821 -3.821 440 2HB ALA 62 HB1 ALA 62 22.483 -3.313 -3.313 441 3HB ALA 62 HB3 ALA 62 23.562 -2.296 -2.296 442 H GLY 63 HN GLY 63 23.243 -1.969 -1.969 443 1HA GLY 63 HA2 GLY 63 21.901 0.093 0.093 444 2HA GLY 63 HA1 GLY 63 20.828 -0.358 -0.358 445 H ARG 64 HN ARG 64 22.482 -2.382 -2.382 446 HA ARG 64 HA ARG 64 19.852 -3.565 -3.565 447 1HB ARG 64 HB2 ARG 64 21.992 -4.913 -4.913 448 2HB ARG 64 HB1 ARG 64 22.526 -4.621 -4.621 449 1HG ARG 64 HG2 ARG 64 20.509 -5.677 -5.677 450 2HG ARG 64 HG1 ARG 64 19.869 -5.872 -5.872 451 1HD ARG 64 HD2 ARG 64 21.961 -7.165 -7.165 452 2HD ARG 64 HD1 ARG 64 22.340 -7.145 -7.145 453 HE ARG 64 HE ARG 64 19.763 -8.321 -8.321 454 1HH1 ARG 64 HH11 ARG 64 21.860 -8.078 -8.078 455 2HH1 ARG 64 HH12 ARG 64 21.938 -9.775 -9.775 456 1HH2 ARG 64 HH21 ARG 64 20.245 -10.700 -10.700 457 2HH2 ARG 64 HH22 ARG 64 21.023 -11.259 -11.259 458 H LEU 65 HN LEU 65 22.956 -2.461 -2.461 459 HA LEU 65 HA LEU 65 22.011 -2.202 -2.202 460 1HB LEU 65 HB2 LEU 65 24.294 -0.872 -0.872 461 2HB LEU 65 HB1 LEU 65 24.005 -0.643 -0.643 462 HG LEU 65 HG LEU 65 25.595 -2.375 -2.375 463 1HD1 LEU 65 HD11 LEU 65 23.239 -2.816 -2.816 464 2HD1 LEU 65 HD13 LEU 65 23.182 -4.132 -4.132 465 3HD1 LEU 65 HD12 LEU 65 24.512 -4.038 -4.038 466 1HD2 LEU 65 HD21 LEU 65 25.252 -2.771 -2.771 467 2HD2 LEU 65 HD23 LEU 65 25.547 -4.218 -4.218 468 3HD2 LEU 65 HD22 LEU 65 23.910 -3.831 -3.831 469 H THR 66 HN THR 66 22.879 0.685 0.685 470 HA THR 66 HA THR 66 20.253 1.806 1.806 471 HB THR 66 HB THR 66 22.348 2.688 2.688 472 HG1 THR 66 HG1 THR 66 20.776 2.265 2.265 473 1HG2 THR 66 HG21 THR 66 20.290 4.331 4.331 474 2HG2 THR 66 HG23 THR 66 20.588 4.639 4.639 475 3HG2 THR 66 HG22 THR 66 21.905 4.784 4.784 476 H ASP 67 HN ASP 67 23.659 2.832 2.832 477 HA ASP 67 HA ASP 67 24.250 3.429 3.429 478 1HB ASP 67 HB2 ASP 67 22.242 4.661 4.661 479 2HB ASP 67 HB1 ASP 67 22.350 5.540 5.540 480 H GLU 68 HN GLU 68 23.752 5.427 5.427 481 HA GLU 68 HA GLU 68 26.390 6.623 6.623 482 1HB GLU 68 HB2 GLU 68 24.281 6.321 6.321 483 2HB GLU 68 HB1 GLU 68 25.781 7.233 7.233 484 1HG GLU 68 HG2 GLU 68 24.987 8.349 8.349 485 2HG GLU 68 HG1 GLU 68 23.404 7.871 7.871 486 H GLN 69 HN GLN 69 25.422 3.523 3.523 487 HA GLN 69 HA GLN 69 27.576 2.906 2.906 488 1HB GLN 69 HB2 GLN 69 25.864 0.679 0.679 489 2HB GLN 69 HB1 GLN 69 26.215 1.438 1.438 490 1HG GLN 69 HG2 GLN 69 24.145 2.367 2.367 491 2HG GLN 69 HG1 GLN 69 23.799 1.560 1.560 492 1HE2 GLN 69 HE22 GLN 69 25.556 4.862 4.862 493 2HE2 GLN 69 HE21 GLN 69 26.368 3.430 3.430 494 H ILE 70 HN ILE 70 26.294 2.414 2.414 495 HA ILE 70 HA ILE 70 28.038 0.261 0.261 496 HB ILE 70 HB ILE 70 27.088 2.689 2.689 497 1HG1 ILE 70 HG12 ILE 70 25.173 1.385 1.385 498 2HG1 ILE 70 HG11 ILE 70 25.656 0.838 0.838 499 1HG2 ILE 70 HG21 ILE 70 29.194 1.585 1.585 500 2HG2 ILE 70 HG23 ILE 70 28.256 0.106 0.106 501 3HG2 ILE 70 HG22 ILE 70 27.836 1.550 1.550 502 1HD1 ILE 70 HD11 ILE 70 26.974 -1.007 -1.007 503 2HD1 ILE 70 HD13 ILE 70 26.194 -0.534 -0.534 504 3HD1 ILE 70 HD12 ILE 70 25.223 -1.135 -1.135 505 H GLN 71 HN GLN 71 28.372 3.545 3.545 506 HA GLN 71 HA GLN 71 31.139 3.861 3.861 507 1HB GLN 71 HB2 GLN 71 28.879 5.518 5.518 508 2HB GLN 71 HB1 GLN 71 30.501 6.087 6.087 509 1HG GLN 71 HG2 GLN 71 29.625 7.018 7.018 510 2HG GLN 71 HG1 GLN 71 31.103 6.081 6.081 511 1HE2 GLN 71 HE22 GLN 71 27.539 4.548 4.548 512 2HE2 GLN 71 HE21 GLN 71 27.526 5.773 5.773 513 H ASP 72 HN ASP 72 29.404 4.692 4.692 514 HA ASP 72 HA ASP 72 31.434 4.753 4.753 515 1HB ASP 72 HB2 ASP 72 28.535 4.081 4.081 516 2HB ASP 72 HB1 ASP 72 29.509 3.686 3.686 517 H VAL 73 HN VAL 73 29.570 1.890 1.890 518 HA VAL 73 HA VAL 73 30.821 0.012 0.012 519 HB VAL 73 HB VAL 73 28.715 -0.148 -0.148 520 1HG1 VAL 73 HG11 VAL 73 30.313 0.047 0.047 521 2HG1 VAL 73 HG13 VAL 73 30.726 -1.634 -1.634 522 3HG1 VAL 73 HG12 VAL 73 29.064 -1.197 -1.197 523 1HG2 VAL 73 HG22 VAL 73 30.501 -2.110 -2.110 524 2HG2 VAL 73 HG21 VAL 73 28.739 -2.029 -2.029 525 3HG2 VAL 73 HG23 VAL 73 29.569 -2.777 -2.777 526 H ALA 74 HN ALA 74 31.750 1.187 1.187 527 HA ALA 74 HA ALA 74 33.873 -0.744 -0.744 528 1HB ALA 74 HB2 ALA 74 32.887 1.638 1.638 529 2HB ALA 74 HB1 ALA 74 34.650 1.573 1.573 530 3HB ALA 74 HB3 ALA 74 33.726 0.234 0.234 531 H ALA 75 HN ALA 75 34.000 2.734 2.734 532 HA ALA 75 HA ALA 75 36.659 2.780 2.780 533 1HB ALA 75 HB2 ALA 75 34.198 4.476 4.476 534 2HB ALA 75 HB1 ALA 75 35.575 4.761 4.761 535 3HB ALA 75 HB3 ALA 75 35.771 4.914 4.914 536 H TYR 76 HN TYR 76 33.727 1.497 1.497 537 HA TYR 76 HA TYR 76 34.206 1.583 1.583 538 1HB TYR 76 HB2 TYR 76 31.971 1.074 1.074 539 2HB TYR 76 HB1 TYR 76 32.598 -0.356 -0.356 540 HD1 TYR 76 HD1 TYR 76 31.935 1.146 1.146 541 HD2 TYR 76 HD2 TYR 76 32.873 -2.399 -2.399 542 HE1 TYR 76 HE1 TYR 76 31.472 -0.124 -0.124 543 HE2 TYR 76 HE2 TYR 76 32.401 -3.742 -3.742 544 HH TYR 76 HH TYR 76 32.210 -3.522 -3.522 545 H VAL 77 HN VAL 77 34.887 -0.831 -0.831 546 HA VAL 77 HA VAL 77 36.162 -2.646 -2.646 547 HB VAL 77 HB VAL 77 36.282 -2.333 -2.333 548 1HG1 VAL 77 HG13 VAL 77 37.561 -4.467 -4.467 549 2HG1 VAL 77 HG12 VAL 77 37.473 -4.507 -4.507 550 3HG1 VAL 77 HG11 VAL 77 38.423 -3.260 -3.260 551 1HG2 VAL 77 HG22 VAL 77 34.655 -3.831 -3.831 552 2HG2 VAL 77 HG21 VAL 77 34.287 -3.383 -3.383 553 3HG2 VAL 77 HG23 VAL 77 35.264 -4.813 -4.813 554 H LEU 78 HN LEU 78 37.130 0.228 0.228 555 HA LEU 78 HA LEU 78 39.996 -0.290 -0.290 556 1HB LEU 78 HB2 LEU 78 38.933 2.434 2.434 557 2HB LEU 78 HB1 LEU 78 40.370 1.625 1.625 558 HG LEU 78 HG LEU 78 37.488 1.175 1.175 559 1HD1 LEU 78 HD11 LEU 78 39.809 2.505 2.505 560 2HD1 LEU 78 HD13 LEU 78 39.232 1.244 1.244 561 3HD1 LEU 78 HD12 LEU 78 38.139 2.526 2.526 562 1HD2 LEU 78 HD21 LEU 78 39.571 -0.799 -0.799 563 2HD2 LEU 78 HD23 LEU 78 37.913 -0.997 -0.997 564 3HD2 LEU 78 HD22 LEU 78 39.182 -0.532 -0.532 565 H ASP 79 HN ASP 79 37.475 0.623 0.623 566 HA ASP 79 HA ASP 79 39.063 2.438 2.438 567 1HB ASP 79 HB2 ASP 79 36.517 2.664 2.664 568 2HB ASP 79 HB1 ASP 79 36.296 1.514 1.514 569 H GLN 80 HN GLN 80 37.303 -0.629 -0.629 570 HA GLN 80 HA GLN 80 38.102 -1.291 -1.291 571 1HB GLN 80 HB2 GLN 80 36.981 -2.858 -2.858 572 2HB GLN 80 HB1 GLN 80 37.404 -3.585 -3.585 573 1HG GLN 80 HG2 GLN 80 35.187 -3.077 -3.077 574 2HG GLN 80 HG1 GLN 80 35.980 -1.634 -1.634 575 1HE2 GLN 80 HE22 GLN 80 34.346 0.456 0.456 576 2HE2 GLN 80 HE21 GLN 80 35.128 0.290 0.290 577 H ALA 81 HN ALA 81 39.459 -1.902 -1.902 578 HA ALA 81 HA ALA 81 41.257 -3.992 -3.992 579 1HB ALA 81 HB3 ALA 81 40.712 -2.582 -2.582 580 2HB ALA 81 HB2 ALA 81 42.299 -1.941 -1.941 581 3HB ALA 81 HB1 ALA 81 42.085 -3.673 -3.673 582 H ALA 82 HN ALA 82 41.780 -0.488 -0.488 583 HA ALA 82 HA ALA 82 44.278 -0.754 -0.754 584 1HB ALA 82 HB3 ALA 82 42.886 1.390 1.390 585 2HB ALA 82 HB2 ALA 82 43.904 1.912 1.912 586 3HB ALA 82 HB1 ALA 82 44.598 0.965 0.965 587 H LYS 83 HN LYS 83 41.426 -1.245 -1.245 588 HA LYS 83 HA LYS 83 41.820 0.475 0.475 589 1HB LYS 83 HB2 LYS 83 39.979 1.460 1.460 590 2HB LYS 83 HB1 LYS 83 39.216 -0.116 -0.116 591 1HG LYS 83 HG2 LYS 83 38.521 -0.218 -0.218 592 2HG LYS 83 HG1 LYS 83 39.831 0.817 0.817 593 1HD LYS 83 HD2 LYS 83 37.947 2.100 2.100 594 2HD LYS 83 HD1 LYS 83 37.257 1.665 1.665 595 1HE LYS 83 HE2 LYS 83 38.622 3.124 3.124 596 2HE LYS 83 HE1 LYS 83 39.930 3.001 3.001 597 1HZ LYS 83 HZ3 LYS 83 38.376 4.202 4.202 598 2HZ LYS 83 HZ2 LYS 83 37.424 4.560 4.560 599 3HZ LYS 83 HZ1 LYS 83 39.025 5.121 5.121 600 H GLY 84 HN GLY 84 41.910 -2.625 -2.625 601 1HA GLY 84 HA2 GLY 84 41.978 -4.532 -4.532 602 2HA GLY 84 HA1 GLY 84 41.395 -3.527 -3.527 603 H TRP 85 HN TRP 85 40.403 -5.021 -5.021 604 HA TRP 85 HA TRP 85 37.685 -4.709 -4.709 605 1HB TRP 85 HB2 TRP 85 39.466 -7.014 -7.014 606 2HB TRP 85 HB1 TRP 85 37.751 -7.383 -7.383 607 HD1 TRP 85 HD1 TRP 85 40.242 -6.227 -6.227 608 HE1 TRP 85 HE1 TRP 85 39.094 -5.177 -5.177 609 HE3 TRP 85 HE3 TRP 85 35.538 -5.703 -5.703 610 HZ2 TRP 85 HZ2 TRP 85 36.524 -4.258 -4.258 611 HZ3 TRP 85 HZ3 TRP 85 33.761 -4.704 -4.704 612 HH2 TRP 85 HH2 TRP 85 34.227 -3.970 -3.970 613 H ALA 86 HN ALA 86 36.936 -4.330 -4.330 614 HA ALA 86 HA ALA 86 36.008 -4.943 -4.943 615 1HB ALA 86 HB3 ALA 86 34.821 -6.380 -6.380 616 2HB ALA 86 HB2 ALA 86 35.075 -7.556 -7.556 617 3HB ALA 86 HB1 ALA 86 34.143 -6.093 -6.093 618 H GLY 87 HN GLY 87 38.796 -5.917 -5.917 619 1HA GLY 87 HA2 GLY 87 39.409 -8.474 -8.474 620 2HA GLY 87 HA1 GLY 87 40.383 -7.082 -7.082 621 HHA HEC 88 HA HEM 88 36.161 -10.562 -10.562 622 HHB HEC 88 HB HEM 88 33.918 -5.691 -5.691 623 HHC HEC 88 HC HEM 88 28.257 -8.516 -8.516 624 HHD HEC 88 HD HEM 88 30.622 -13.522 -13.522 625 1HMA HEC 88 HMA1 HEM 88 36.610 -5.238 -5.238 626 2HMA HEC 88 HMA2 HEM 88 37.552 -6.370 -6.370 627 3HMA HEC 88 HMA3 HEM 88 36.031 -5.613 -5.613 628 1HAA HEC 88 HAA1 HEM 88 37.858 -9.350 -9.350 629 2HAA HEC 88 HAA2 HEM 88 38.254 -7.689 -7.689 630 1HBA HEC 88 HBA1 HEM 88 36.482 -8.052 -8.052 631 2HBA HEC 88 HBA2 HEM 88 37.541 -6.661 -6.661 632 1HMB HEC 88 HMB1 HEM 88 30.966 -3.963 -3.963 633 2HMB HEC 88 HMB2 HEM 88 32.702 -4.437 -4.437 634 3HMB HEC 88 HMB3 HEM 88 31.743 -4.973 -4.973 635 HAB HEC 88 HAB HEM 88 28.908 -4.976 -4.976 636 1HBB HEC 88 HBB1 HEM 88 27.258 -7.263 -7.263 637 2HBB HEC 88 HBB2 HEM 88 27.671 -6.983 -6.983 638 3HBB HEC 88 HBB3 HEM 88 26.687 -5.775 -5.775 639 1HMC HEC 88 HMC1 HEM 88 26.619 -9.637 -9.637 640 2HMC HEC 88 HMC2 HEM 88 26.199 -11.369 -11.369 641 3HMC HEC 88 HMC3 HEM 88 26.868 -10.886 -10.886 642 HAC HEC 88 HAC HEM 88 29.107 -14.118 -14.118 643 1HBC HEC 88 HBC1 HEM 88 26.993 -14.836 -14.836 644 2HBC HEC 88 HBC2 HEM 88 27.163 -13.250 -13.250 645 3HBC HEC 88 HBC3 HEM 88 26.148 -13.378 -13.378 646 1HMD HEC 88 HMD1 HEM 88 33.445 -15.315 -15.315 647 2HMD HEC 88 HMD2 HEM 88 31.776 -14.764 -14.764 648 3HMD HEC 88 HMD3 HEM 88 33.097 -14.664 -14.664 649 1HAD HEC 88 HAD1 HEM 88 35.715 -14.136 -14.136 650 2HAD HEC 88 HAD2 HEM 88 36.480 -12.512 -12.512 651 1HBD HEC 88 HBD1 HEM 88 35.092 -13.755 -13.755 652 2HBD HEC 88 HBD2 HEM 88 34.878 -11.979 -11.979 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 28.226 13.064 13.064 2 2H ALA 1 HT3 ALA 1 27.559 12.931 12.931 3 3H ALA 1 HT2 ALA 1 26.539 13.055 13.055 4 HA ALA 1 HA ALA 1 26.427 10.849 10.849 5 1HB ALA 1 HB3 ALA 1 28.668 11.189 11.189 6 2HB ALA 1 HB2 ALA 1 28.338 9.584 9.584 7 3HB ALA 1 HB1 ALA 1 27.083 10.451 10.451 8 H ASP 2 HN ASP 2 27.045 9.457 9.457 9 HA ASP 2 HA ASP 2 29.699 9.998 9.998 10 1HB ASP 2 HB2 ASP 2 27.607 10.576 10.576 11 2HB ASP 2 HB1 ASP 2 27.236 8.847 8.847 12 H LEU 3 HN LEU 3 30.876 8.128 8.128 13 HA LEU 3 HA LEU 3 30.465 5.759 5.759 14 1HB LEU 3 HB2 LEU 3 32.445 6.682 6.682 15 2HB LEU 3 HB1 LEU 3 32.198 4.934 4.934 16 HG LEU 3 HG LEU 3 32.331 6.043 6.043 17 1HD1 LEU 3 HD11 LEU 3 33.849 7.587 7.587 18 2HD1 LEU 3 HD13 LEU 3 34.962 6.226 6.226 19 3HD1 LEU 3 HD12 LEU 3 34.409 7.065 7.065 20 1HD2 LEU 3 HD22 LEU 3 33.886 3.997 3.997 21 2HD2 LEU 3 HD21 LEU 3 32.637 3.697 3.697 22 3HD2 LEU 3 HD23 LEU 3 34.209 4.325 4.325 23 H ALA 4 HN ALA 4 28.879 6.896 6.896 24 HA ALA 4 HA ALA 4 28.534 4.546 4.546 25 1HB ALA 4 HB3 ALA 4 26.933 7.068 7.068 26 2HB ALA 4 HB2 ALA 4 26.280 5.757 5.757 27 3HB ALA 4 HB1 ALA 4 27.782 6.552 6.552 28 H ASN 5 HN ASN 5 27.194 5.812 5.812 29 HA ASN 5 HA ASN 5 24.987 3.967 3.967 30 1HB ASN 5 HB2 ASN 5 26.117 6.210 6.210 31 2HB ASN 5 HB1 ASN 5 25.913 4.890 4.890 32 1HD2 ASN 5 HD22 ASN 5 22.631 6.528 6.528 33 2HD2 ASN 5 HD21 ASN 5 24.201 6.768 6.768 34 H GLY 6 HN GLY 6 28.398 3.918 3.918 35 1HA GLY 6 HA2 GLY 6 28.513 1.782 1.782 36 2HA GLY 6 HA1 GLY 6 29.798 2.216 2.216 37 H ALA 7 HN ALA 7 29.172 1.624 1.624 38 HA ALA 7 HA ALA 7 29.236 -1.078 -1.078 39 1HB ALA 7 HB1 ALA 7 28.463 1.241 1.241 40 2HB ALA 7 HB3 ALA 7 27.646 -0.237 -0.237 41 3HB ALA 7 HB2 ALA 7 29.409 -0.177 -0.177 42 H LYS 8 HN LYS 8 26.393 0.844 0.844 43 HA LYS 8 HA LYS 8 24.492 -1.254 -1.254 44 1HB LYS 8 HB2 LYS 8 23.518 0.878 0.878 45 2HB LYS 8 HB1 LYS 8 24.474 1.323 1.323 46 1HG LYS 8 HG2 LYS 8 22.799 -0.975 -0.975 47 2HG LYS 8 HG1 LYS 8 21.818 0.343 0.343 48 1HD LYS 8 HD2 LYS 8 23.587 0.329 0.329 49 2HD LYS 8 HD1 LYS 8 21.881 0.753 0.753 50 1HE LYS 8 HE2 LYS 8 23.173 2.507 2.507 51 2HE LYS 8 HE1 LYS 8 24.219 2.430 2.430 52 1HZ LYS 8 HZ2 LYS 8 22.055 2.719 2.719 53 2HZ LYS 8 HZ1 LYS 8 21.386 3.245 3.245 54 3HZ LYS 8 HZ3 LYS 8 22.693 4.083 4.083 55 H VAL 9 HN VAL 9 25.973 0.023 0.023 56 HA VAL 9 HA VAL 9 24.956 -1.803 -1.803 57 HB VAL 9 HB VAL 9 27.795 -0.750 -0.750 58 1HG1 VAL 9 HG13 VAL 9 25.940 -1.952 -1.952 59 2HG1 VAL 9 HG12 VAL 9 27.134 -0.769 -0.769 60 3HG1 VAL 9 HG11 VAL 9 27.656 -2.259 -2.259 61 1HG2 VAL 9 HG21 VAL 9 25.183 0.529 0.529 62 2HG2 VAL 9 HG23 VAL 9 26.385 1.158 1.158 63 3HG2 VAL 9 HG22 VAL 9 26.740 1.096 1.096 64 H PHE 10 HN PHE 10 28.128 -2.115 -2.115 65 HA PHE 10 HA PHE 10 28.663 -4.690 -4.690 66 1HB PHE 10 HB2 PHE 10 30.318 -3.307 -3.307 67 2HB PHE 10 HB1 PHE 10 29.440 -3.591 -3.591 68 HD1 PHE 10 HD1 PHE 10 29.044 -5.917 -5.917 69 HD2 PHE 10 HD2 PHE 10 31.898 -4.895 -4.895 70 HE1 PHE 10 HE1 PHE 10 30.162 -8.084 -8.084 71 HE2 PHE 10 HE2 PHE 10 33.032 -7.056 -7.056 72 HZ PHE 10 HZ PHE 10 32.172 -8.670 -8.670 73 H SER 11 HN SER 11 26.724 -3.651 -3.651 74 HA SER 11 HA SER 11 26.347 -6.436 -6.436 75 1HB SER 11 HB2 SER 11 26.580 -4.868 -4.868 76 2HB SER 11 HB1 SER 11 25.426 -3.754 -3.754 77 HG SER 11 HG SER 11 23.877 -4.812 -4.812 78 H GLY 12 HN GLY 12 25.230 -5.256 -5.256 79 1HA GLY 12 HA2 GLY 12 22.523 -6.322 -6.322 80 2HA GLY 12 HA1 GLY 12 22.676 -4.737 -4.737 81 H ASN 13 HN ASN 13 25.335 -6.229 -6.229 82 HA ASN 13 HA ASN 13 23.926 -7.838 -7.838 83 1HB ASN 13 HB2 ASN 13 25.790 -5.725 -5.725 84 2HB ASN 13 HB1 ASN 13 24.415 -6.483 -6.483 85 1HD2 ASN 13 HD22 ASN 13 23.863 -3.093 -3.093 86 2HD2 ASN 13 HD21 ASN 13 25.405 -3.804 -3.804 87 H CYS 14 HN CYS 14 26.531 -7.619 -7.619 88 HA CYS 14 HA CYS 14 28.156 -9.328 -9.328 89 1HB CYS 14 HB2 CYS 14 29.629 -7.695 -7.695 90 2HB CYS 14 HB1 CYS 14 30.072 -8.127 -8.127 91 H ALA 15 HN ALA 15 27.632 -8.389 -8.389 92 HA ALA 15 HA ALA 15 29.036 -10.010 -10.010 93 1HB ALA 15 HB1 ALA 15 26.037 -9.713 -9.713 94 2HB ALA 15 HB3 ALA 15 26.912 -10.553 -10.553 95 3HB ALA 15 HB2 ALA 15 27.230 -8.846 -8.846 96 H ALA 16 HN ALA 16 26.370 -11.321 -11.321 97 HA ALA 16 HA ALA 16 26.618 -14.023 -14.023 98 1HB ALA 16 HB3 ALA 16 24.718 -13.047 -13.047 99 2HB ALA 16 HB2 ALA 16 25.771 -13.113 -13.113 100 3HB ALA 16 HB1 ALA 16 25.307 -14.602 -14.602 101 H CYS 17 HN CYS 17 27.988 -12.504 -12.504 102 HA CYS 17 HA CYS 17 29.747 -14.850 -14.850 103 1HB CYS 17 HB2 CYS 17 29.317 -12.417 -12.417 104 2HB CYS 17 HB1 CYS 17 30.379 -13.752 -13.752 105 H HIS 18 HN HIS 18 30.054 -12.755 -12.755 106 HA HIS 18 HA HIS 18 32.941 -12.372 -12.372 107 1HB HIS 18 HB2 HIS 18 30.909 -10.171 -10.171 108 2HB HIS 18 HB1 HIS 18 32.472 -9.842 -9.842 109 HD1 HIS 18 HD1 HIS 18 34.603 -10.380 -10.380 110 HD2 HIS 18 HD2 HIS 18 30.989 -10.159 -10.159 111 HE1 HIS 18 HE1 HIS 18 35.185 -10.137 -10.137 112 H MET 19 HN MET 19 30.537 -10.720 -10.720 113 HA MET 19 HA MET 19 30.492 -10.409 -10.409 114 1HB MET 19 HB2 MET 19 30.186 -13.149 -13.149 115 2HB MET 19 HB1 MET 19 31.049 -13.039 -13.039 116 1HG MET 19 HG2 MET 19 29.259 -11.347 -11.347 117 2HG MET 19 HG1 MET 19 28.342 -11.891 -11.891 118 1HE MET 19 HE1 MET 19 30.291 -12.610 -12.610 119 2HE MET 19 HE3 MET 19 28.914 -13.015 -13.015 120 3HE MET 19 HE2 MET 19 30.013 -14.280 -14.280 121 H GLY 20 HN GLY 20 32.286 -9.211 -9.211 122 1HA GLY 20 HA2 GLY 20 34.273 -8.902 -8.902 123 2HA GLY 20 HA1 GLY 20 34.391 -10.654 -10.654 124 H GLY 21 HN GLY 21 34.354 -8.485 -8.485 125 1HA GLY 21 HA2 GLY 21 35.664 -8.638 -8.638 126 2HA GLY 21 HA1 GLY 21 36.960 -8.394 -8.394 127 H GLY 22 HN GLY 22 34.819 -11.204 -11.204 128 1HA GLY 22 HA2 GLY 22 37.276 -12.790 -12.790 129 2HA GLY 22 HA1 GLY 22 36.037 -13.407 -13.407 130 H ASN 23 HN ASN 23 36.960 -13.034 -13.034 131 HA ASN 23 HA ASN 23 34.589 -13.190 -13.190 132 1HB ASN 23 HB2 ASN 23 37.048 -13.338 -13.338 133 2HB ASN 23 HB1 ASN 23 36.842 -15.081 -15.081 134 1HD2 ASN 23 HD22 ASN 23 34.260 -13.270 -13.270 135 2HD2 ASN 23 HD21 ASN 23 34.608 -12.498 -12.498 136 H VAL 24 HN VAL 24 33.532 -15.199 -15.199 137 HA VAL 24 HA VAL 24 33.334 -17.308 -17.308 138 HB VAL 24 HB VAL 24 31.203 -16.264 -16.264 139 1HG1 VAL 24 HG13 VAL 24 31.620 -16.443 -16.443 140 2HG1 VAL 24 HG12 VAL 24 30.125 -15.908 -15.908 141 3HG1 VAL 24 HG11 VAL 24 31.605 -14.972 -14.972 142 1HG2 VAL 24 HG21 VAL 24 31.256 -18.705 -18.705 143 2HG2 VAL 24 HG23 VAL 24 31.036 -18.700 -18.700 144 3HG2 VAL 24 HG22 VAL 24 29.794 -18.012 -18.012 145 H VAL 25 HN VAL 25 33.444 -16.728 -16.728 146 HA VAL 25 HA VAL 25 33.751 -19.629 -19.629 147 HB VAL 25 HB VAL 25 33.953 -17.466 -17.466 148 1HG1 VAL 25 HG12 VAL 25 34.117 -20.232 -20.232 149 2HG1 VAL 25 HG11 VAL 25 32.440 -19.926 -19.926 150 3HG1 VAL 25 HG13 VAL 25 33.750 -19.202 -19.202 151 1HG2 VAL 25 HG21 VAL 25 31.505 -18.480 -18.480 152 2HG2 VAL 25 HG23 VAL 25 31.935 -16.819 -16.819 153 3HG2 VAL 25 HG22 VAL 25 31.401 -17.925 -17.925 154 H MET 26 HN MET 26 35.535 -16.803 -16.803 155 HA MET 26 HA MET 26 37.990 -18.393 -18.393 156 1HB MET 26 HB2 MET 26 37.581 -15.422 -15.422 157 2HB MET 26 HB1 MET 26 38.991 -16.372 -16.372 158 1HG MET 26 HG2 MET 26 36.196 -17.054 -17.054 159 2HG MET 26 HG1 MET 26 37.235 -15.938 -15.938 160 1HE MET 26 HE1 MET 26 36.564 -17.297 -17.297 161 2HE MET 26 HE3 MET 26 38.143 -17.669 -17.669 162 3HE MET 26 HE2 MET 26 37.002 -18.966 -18.966 163 H ALA 27 HN ALA 27 38.774 -18.856 -18.856 164 HA ALA 27 HA ALA 27 38.667 -17.038 -17.038 165 1HB ALA 27 HB3 ALA 27 39.069 -19.614 -19.614 166 2HB ALA 27 HB2 ALA 27 40.762 -19.185 -19.185 167 3HB ALA 27 HB1 ALA 27 39.917 -18.647 -18.647 168 H ASN 28 HN ASN 28 41.056 -17.598 -17.598 169 HA ASN 28 HA ASN 28 43.176 -16.113 -16.113 170 1HB ASN 28 HB2 ASN 28 43.979 -15.901 -15.901 171 2HB ASN 28 HB1 ASN 28 43.710 -17.551 -17.551 172 1HD2 ASN 28 HD22 ASN 28 41.328 -16.013 -16.013 173 2HD2 ASN 28 HD21 ASN 28 42.443 -15.014 -15.014 174 H LYS 29 HN LYS 29 40.605 -15.204 -15.204 175 HA LYS 29 HA LYS 29 41.440 -12.389 -12.389 176 1HB LYS 29 HB2 LYS 29 40.091 -13.967 -13.967 177 2HB LYS 29 HB1 LYS 29 38.795 -13.007 -13.007 178 1HG LYS 29 HG2 LYS 29 39.432 -11.355 -11.355 179 2HG LYS 29 HG1 LYS 29 40.855 -11.169 -11.169 180 1HD LYS 29 HD2 LYS 29 42.215 -12.395 -12.395 181 2HD LYS 29 HD1 LYS 29 40.861 -13.309 -13.309 182 1HE LYS 29 HE2 LYS 29 40.082 -10.994 -10.994 183 2HE LYS 29 HE1 LYS 29 41.755 -10.512 -10.512 184 1HZ LYS 29 HZ3 LYS 29 40.989 -12.935 -12.935 185 2HZ LYS 29 HZ2 LYS 29 41.272 -11.428 -11.428 186 3HZ LYS 29 HZ1 LYS 29 42.523 -12.222 -12.222 187 H THR 30 HN THR 30 41.149 -12.141 -12.141 188 HA THR 30 HA THR 30 38.298 -12.069 -12.069 189 HB THR 30 HB THR 30 40.100 -13.242 -13.242 190 HG1 THR 30 HG1 THR 30 39.046 -12.664 -12.664 191 1HG2 THR 30 HG21 THR 30 40.837 -10.353 -10.353 192 2HG2 THR 30 HG23 THR 30 41.437 -11.736 -11.736 193 3HG2 THR 30 HG22 THR 30 41.854 -11.557 -11.557 194 H LEU 31 HN LEU 31 38.127 -10.142 -10.142 195 HA LEU 31 HA LEU 31 38.639 -7.665 -7.665 196 1HB LEU 31 HB2 LEU 31 36.872 -8.335 -8.335 197 2HB LEU 31 HB1 LEU 31 37.161 -6.679 -6.679 198 HG LEU 31 HG LEU 31 35.410 -8.733 -8.733 199 1HD1 LEU 31 HD11 LEU 31 35.593 -5.835 -5.835 200 2HD1 LEU 31 HD13 LEU 31 34.926 -6.323 -6.323 201 3HD1 LEU 31 HD12 LEU 31 34.166 -6.871 -6.871 202 1HD2 LEU 31 HD22 LEU 31 37.265 -8.900 -8.900 203 2HD2 LEU 31 HD21 LEU 31 35.797 -8.225 -8.225 204 3HD2 LEU 31 HD23 LEU 31 37.139 -7.164 -7.164 205 H LYS 32 HN LYS 32 39.702 -9.357 -9.357 206 HA LYS 32 HA LYS 32 40.405 -7.532 -7.532 207 1HB LYS 32 HB2 LYS 32 41.699 -9.988 -9.988 208 2HB LYS 32 HB1 LYS 32 42.779 -8.903 -8.903 209 1HG LYS 32 HG2 LYS 32 41.904 -9.710 -9.710 210 2HG LYS 32 HG1 LYS 32 40.388 -8.921 -8.921 211 1HD LYS 32 HD2 LYS 32 39.678 -11.126 -11.126 212 2HD LYS 32 HD1 LYS 32 40.068 -11.075 -11.075 213 1HE LYS 32 HE2 LYS 32 42.492 -11.732 -11.732 214 2HE LYS 32 HE1 LYS 32 41.529 -12.400 -12.400 215 1HZ LYS 32 HZ3 LYS 32 40.883 -12.959 -12.959 216 2HZ LYS 32 HZ2 LYS 32 42.010 -13.900 -13.900 217 3HZ LYS 32 HZ1 LYS 32 40.397 -13.812 -13.812 218 H LYS 33 HN LYS 33 43.126 -8.334 -8.334 219 HA LYS 33 HA LYS 33 43.518 -5.780 -5.780 220 1HB LYS 33 HB2 LYS 33 45.253 -4.851 -4.851 221 2HB LYS 33 HB1 LYS 33 43.683 -4.946 -4.946 222 1HG LYS 33 HG2 LYS 33 44.375 -7.132 -7.132 223 2HG LYS 33 HG1 LYS 33 45.974 -6.914 -6.914 224 1HD LYS 33 HD2 LYS 33 44.674 -4.970 -4.970 225 2HD LYS 33 HD1 LYS 33 45.884 -6.172 -6.172 226 1HE LYS 33 HE2 LYS 33 47.571 -4.892 -4.892 227 2HE LYS 33 HE1 LYS 33 46.728 -4.593 -4.593 228 1HZ LYS 33 HZ1 LYS 33 45.473 -3.227 -3.227 229 2HZ LYS 33 HZ3 LYS 33 47.113 -2.809 -2.809 230 3HZ LYS 33 HZ2 LYS 33 46.111 -2.601 -2.601 231 H GLU 34 HN GLU 34 45.151 -8.458 -8.458 232 HA GLU 34 HA GLU 34 47.628 -8.326 -8.326 233 1HB GLU 34 HB2 GLU 34 47.719 -10.829 -10.829 234 2HB GLU 34 HB1 GLU 34 47.465 -9.754 -9.754 235 1HG GLU 34 HG2 GLU 34 45.276 -10.416 -10.416 236 2HG GLU 34 HG1 GLU 34 45.037 -10.732 -10.732 237 H ALA 35 HN ALA 35 44.583 -9.751 -9.751 238 HA ALA 35 HA ALA 35 45.900 -10.910 -10.910 239 1HB ALA 35 HB2 ALA 35 44.132 -12.175 -12.175 240 2HB ALA 35 HB1 ALA 35 42.971 -10.944 -10.944 241 3HB ALA 35 HB3 ALA 35 43.760 -11.948 -11.948 242 H LEU 36 HN LEU 36 43.336 -8.533 -8.533 243 HA LEU 36 HA LEU 36 42.840 -7.807 -7.807 244 1HB LEU 36 HB2 LEU 36 42.128 -5.569 -5.569 245 2HB LEU 36 HB1 LEU 36 41.302 -7.006 -7.006 246 HG LEU 36 HG LEU 36 43.789 -6.275 -6.275 247 1HD1 LEU 36 HD13 LEU 36 41.848 -4.279 -4.279 248 2HD1 LEU 36 HD12 LEU 36 41.638 -4.746 -4.746 249 3HD1 LEU 36 HD11 LEU 36 43.208 -4.178 -4.178 250 1HD2 LEU 36 HD22 LEU 36 41.220 -7.624 -7.624 251 2HD2 LEU 36 HD21 LEU 36 42.759 -7.855 -7.855 252 3HD2 LEU 36 HD23 LEU 36 41.671 -6.563 -6.563 253 H GLU 37 HN GLU 37 45.375 -6.782 -6.782 254 HA GLU 37 HA GLU 37 46.353 -4.887 -4.887 255 1HB GLU 37 HB2 GLU 37 47.068 -5.409 -5.409 256 2HB GLU 37 HB1 GLU 37 48.070 -4.385 -4.385 257 1HG GLU 37 HG2 GLU 37 45.216 -3.791 -3.791 258 2HG GLU 37 HG1 GLU 37 45.812 -3.558 -3.558 259 H GLN 38 HN GLN 38 46.652 -8.097 -8.097 260 HA GLN 38 HA GLN 38 49.467 -8.518 -8.518 261 1HB GLN 38 HB2 GLN 38 47.427 -10.073 -10.073 262 2HB GLN 38 HB1 GLN 38 47.424 -10.500 -10.500 263 1HG GLN 38 HG2 GLN 38 49.458 -11.042 -11.042 264 2HG GLN 38 HG1 GLN 38 48.910 -12.050 -12.050 265 1HE2 GLN 38 HE22 GLN 38 52.007 -9.435 -9.435 266 2HE2 GLN 38 HE21 GLN 38 51.066 -9.341 -9.341 267 H PHE 39 HN PHE 39 46.629 -9.019 -9.019 268 HA PHE 39 HA PHE 39 48.232 -8.983 -8.983 269 1HB PHE 39 HB2 PHE 39 45.635 -9.143 -9.143 270 2HB PHE 39 HB1 PHE 39 46.687 -10.505 -10.505 271 HD1 PHE 39 HD1 PHE 39 44.114 -8.290 -8.290 272 HD2 PHE 39 HD2 PHE 39 46.215 -12.049 -12.049 273 HE1 PHE 39 HE1 PHE 39 42.583 -9.152 -9.152 274 HE2 PHE 39 HE2 PHE 39 44.688 -12.881 -12.881 275 HZ PHE 39 HZ PHE 39 42.872 -11.429 -11.429 276 H GLY 40 HN GLY 40 45.502 -7.104 -7.104 277 1HA GLY 40 HA2 GLY 40 46.010 -4.573 -4.573 278 2HA GLY 40 HA1 GLY 40 46.153 -4.996 -4.996 279 H MET 41 HN MET 41 43.945 -4.530 -4.530 280 HA MET 41 HA MET 41 41.726 -3.962 -3.962 281 1HB MET 41 HB2 MET 41 40.292 -5.846 -5.846 282 2HB MET 41 HB1 MET 41 41.730 -6.425 -6.425 283 1HG MET 41 HG2 MET 41 42.048 -7.738 -7.738 284 2HG MET 41 HG1 MET 41 42.596 -6.272 -6.272 285 1HE MET 41 HE2 MET 41 40.542 -9.166 -9.166 286 2HE MET 41 HE1 MET 41 41.312 -8.835 -8.835 287 3HE MET 41 HE3 MET 41 39.551 -8.948 -8.948 288 H TYR 42 HN TYR 42 43.219 -2.992 -2.992 289 HA TYR 42 HA TYR 42 41.086 -3.019 -3.019 290 1HB TYR 42 HB2 TYR 42 43.449 -3.633 -3.633 291 2HB TYR 42 HB1 TYR 42 43.934 -1.990 -1.990 292 HD1 TYR 42 HD1 TYR 42 40.643 -2.338 -2.338 293 HD2 TYR 42 HD2 TYR 42 44.818 -1.774 -1.774 294 HE1 TYR 42 HE1 TYR 42 40.086 -1.561 -1.561 295 HE2 TYR 42 HE2 TYR 42 44.258 -0.993 -0.993 296 HH TYR 42 HH TYR 42 42.254 0.059 0.059 297 H SER 43 HN SER 43 41.220 -1.370 -1.370 298 HA SER 43 HA SER 43 41.221 1.357 1.357 299 1HB SER 43 HB2 SER 43 42.238 0.302 0.302 300 2HB SER 43 HB1 SER 43 40.913 1.383 1.383 301 HG SER 43 HG SER 43 43.248 2.172 2.172 302 H GLU 44 HN GLU 44 39.409 2.682 2.682 303 HA GLU 44 HA GLU 44 36.820 1.736 1.736 304 1HB GLU 44 HB2 GLU 44 36.308 4.077 4.077 305 2HB GLU 44 HB1 GLU 44 36.872 3.993 3.993 306 1HG GLU 44 HG2 GLU 44 38.886 4.909 4.909 307 2HG GLU 44 HG1 GLU 44 39.037 3.965 3.965 308 H ASP 45 HN ASP 45 38.195 3.171 3.171 309 HA ASP 45 HA ASP 45 36.167 2.434 2.434 310 1HB ASP 45 HB2 ASP 45 38.146 3.810 3.810 311 2HB ASP 45 HB1 ASP 45 39.081 2.321 2.321 312 H ALA 46 HN ALA 46 38.819 0.388 0.388 313 HA ALA 46 HA ALA 46 38.364 -1.820 -1.820 314 1HB ALA 46 HB3 ALA 46 40.336 -1.437 -1.437 315 2HB ALA 46 HB2 ALA 46 39.299 -2.080 -2.080 316 3HB ALA 46 HB1 ALA 46 39.727 -3.088 -3.088 317 H ILE 47 HN ILE 47 37.562 -1.928 -1.928 318 HA ILE 47 HA ILE 47 35.624 -3.995 -3.995 319 HB ILE 47 HB ILE 47 36.845 -3.376 -3.376 320 1HG1 ILE 47 HG12 ILE 47 33.824 -3.425 -3.425 321 2HG1 ILE 47 HG11 ILE 47 34.879 -4.836 -4.836 322 1HG2 ILE 47 HG22 ILE 47 35.654 -0.867 -0.867 323 2HG2 ILE 47 HG21 ILE 47 34.920 -1.492 -1.492 324 3HG2 ILE 47 HG23 ILE 47 36.672 -1.314 -1.314 325 1HD1 ILE 47 HD11 ILE 47 36.000 -3.878 -3.878 326 2HD1 ILE 47 HD13 ILE 47 34.697 -2.692 -2.692 327 3HD1 ILE 47 HD12 ILE 47 34.334 -4.406 -4.406 328 H ILE 48 HN ILE 48 35.437 -0.727 -0.727 329 HA ILE 48 HA ILE 48 32.614 -0.329 -0.329 330 HB ILE 48 HB ILE 48 34.720 1.213 1.213 331 1HG1 ILE 48 HG12 ILE 48 32.760 2.002 2.002 332 2HG1 ILE 48 HG11 ILE 48 34.385 1.397 1.397 333 1HG2 ILE 48 HG21 ILE 48 31.851 1.246 1.246 334 2HG2 ILE 48 HG23 ILE 48 32.456 2.817 2.817 335 3HG2 ILE 48 HG22 ILE 48 33.172 2.022 2.022 336 1HD1 ILE 48 HD12 ILE 48 35.273 3.273 3.273 337 2HD1 ILE 48 HD11 ILE 48 33.634 3.914 3.914 338 3HD1 ILE 48 HD13 ILE 48 34.470 3.816 3.816 339 H TYR 49 HN TYR 49 34.535 -1.319 -1.319 340 HA TYR 49 HA TYR 49 32.093 -1.627 -1.627 341 1HB TYR 49 HB2 TYR 49 34.133 -0.810 -0.810 342 2HB TYR 49 HB1 TYR 49 34.999 -2.265 -2.265 343 HD1 TYR 49 HD1 TYR 49 34.260 -4.510 -4.510 344 HD2 TYR 49 HD2 TYR 49 32.635 -0.831 -0.831 345 HE1 TYR 49 HE1 TYR 49 33.371 -5.711 -5.711 346 HE2 TYR 49 HE2 TYR 49 31.742 -2.032 -2.032 347 HH TYR 49 HH TYR 49 31.100 -4.328 -4.328 348 H GLN 50 HN GLN 50 34.028 -3.406 -3.406 349 HA GLN 50 HA GLN 50 33.266 -6.032 -6.032 350 1HB GLN 50 HB2 GLN 50 35.395 -6.204 -6.204 351 2HB GLN 50 HB1 GLN 50 35.085 -5.003 -5.003 352 1HG GLN 50 HG2 GLN 50 35.183 -6.914 -6.914 353 2HG GLN 50 HG1 GLN 50 33.462 -6.898 -6.898 354 1HE2 GLN 50 HE22 GLN 50 35.695 -9.422 -9.422 355 2HE2 GLN 50 HE21 GLN 50 36.271 -7.857 -7.857 356 H VAL 51 HN VAL 51 32.019 -3.658 -3.658 357 HA VAL 51 HA VAL 51 30.340 -5.585 -5.585 358 HB VAL 51 HB VAL 51 30.734 -2.590 -2.590 359 1HG1 VAL 51 HG13 VAL 51 28.572 -4.306 -4.306 360 2HG1 VAL 51 HG12 VAL 51 29.360 -3.391 -3.391 361 3HG1 VAL 51 HG11 VAL 51 28.655 -2.547 -2.547 362 1HG2 VAL 51 HG22 VAL 51 32.440 -4.359 -4.359 363 2HG2 VAL 51 HG21 VAL 51 31.953 -3.028 -3.028 364 3HG2 VAL 51 HG23 VAL 51 31.232 -4.624 -4.624 365 H GLN 52 HN GLN 52 29.999 -2.730 -2.730 366 HA GLN 52 HA GLN 52 27.170 -2.667 -2.667 367 1HB GLN 52 HB2 GLN 52 29.421 -1.433 -1.433 368 2HB GLN 52 HB1 GLN 52 28.165 -1.792 -1.792 369 1HG GLN 52 HG2 GLN 52 26.535 -0.534 -0.534 370 2HG GLN 52 HG1 GLN 52 27.552 -0.454 -0.454 371 1HE2 GLN 52 HE22 GLN 52 29.828 1.938 1.938 372 2HE2 GLN 52 HE21 GLN 52 29.974 0.441 0.441 373 H HIS 53 HN HIS 53 29.312 -4.998 -4.998 374 HA HIS 53 HA HIS 53 27.126 -6.215 -6.215 375 1HB HIS 53 HB2 HIS 53 29.582 -6.189 -6.189 376 2HB HIS 53 HB1 HIS 53 27.940 -5.954 -5.954 377 HD1 HIS 53 HD1 HIS 53 27.768 -3.711 -3.711 378 HD2 HIS 53 HD2 HIS 53 30.278 -3.612 -3.612 379 HE1 HIS 53 HE1 HIS 53 28.565 -1.318 -1.318 380 H GLY 54 HN GLY 54 28.999 -6.633 -6.633 381 1HA GLY 54 HA2 GLY 54 30.283 -8.419 -8.419 382 2HA GLY 54 HA1 GLY 54 29.383 -9.411 -9.411 383 H LYS 55 HN LYS 55 30.884 -10.524 -10.524 384 HA LYS 55 HA LYS 55 32.361 -9.858 -9.858 385 1HB LYS 55 HB2 LYS 55 33.606 -8.650 -8.650 386 2HB LYS 55 HB1 LYS 55 34.704 -9.751 -9.751 387 1HG LYS 55 HG2 LYS 55 34.565 -7.239 -7.239 388 2HG LYS 55 HG1 LYS 55 34.706 -8.539 -8.539 389 1HD LYS 55 HD2 LYS 55 31.915 -8.076 -8.076 390 2HD LYS 55 HD1 LYS 55 32.690 -6.555 -6.555 391 1HE LYS 55 HE2 LYS 55 33.667 -7.703 -7.703 392 2HE LYS 55 HE1 LYS 55 32.687 -9.115 -9.115 393 1HZ LYS 55 HZ3 LYS 55 31.619 -6.388 -6.388 394 2HZ LYS 55 HZ2 LYS 55 31.609 -7.655 -7.655 395 3HZ LYS 55 HZ1 LYS 55 30.705 -7.784 -7.784 396 H ASN 56 HN ASN 56 32.768 -11.809 -11.809 397 HA ASN 56 HA ASN 56 33.598 -13.991 -13.991 398 1HB ASN 56 HB2 ASN 56 34.611 -13.667 -13.667 399 2HB ASN 56 HB1 ASN 56 35.178 -14.803 -14.803 400 1HD2 ASN 56 HD22 ASN 56 36.227 -11.487 -11.487 401 2HD2 ASN 56 HD21 ASN 56 34.785 -12.352 -12.352 402 H ALA 57 HN ALA 57 32.932 -13.923 -13.923 403 HA ALA 57 HA ALA 57 30.463 -15.509 -15.509 404 1HB ALA 57 HB1 ALA 57 32.913 -16.490 -16.490 405 2HB ALA 57 HB3 ALA 57 31.679 -16.468 -16.468 406 3HB ALA 57 HB2 ALA 57 31.395 -17.355 -17.355 407 H MET 58 HN MET 58 31.012 -12.688 -12.688 408 HA MET 58 HA MET 58 29.908 -12.675 -12.675 409 1HB MET 58 HB2 MET 58 32.015 -11.447 -11.447 410 2HB MET 58 HB1 MET 58 31.274 -10.467 -10.467 411 1HG MET 58 HG2 MET 58 29.606 -9.648 -9.648 412 2HG MET 58 HG1 MET 58 30.409 -10.604 -10.604 413 1HE MET 58 HE3 MET 58 30.158 -8.275 -8.275 414 2HE MET 58 HE2 MET 58 31.148 -6.862 -6.862 415 3HE MET 58 HE1 MET 58 29.823 -7.292 -7.292 416 HA PRO 59 HA PRO 59 26.085 -11.324 -11.324 417 1HB PRO 59 HB2 PRO 59 24.951 -10.483 -10.483 418 2HB PRO 59 HB1 PRO 59 25.093 -12.177 -12.177 419 1HG PRO 59 HG2 PRO 59 26.609 -10.652 -10.652 420 2HG PRO 59 HG1 PRO 59 26.346 -12.392 -12.392 421 1HD PRO 59 HD2 PRO 59 28.690 -10.965 -10.965 422 2HD PRO 59 HD1 PRO 59 28.369 -12.677 -12.677 423 H ALA 60 HN ALA 60 26.068 -9.483 -9.483 424 HA ALA 60 HA ALA 60 27.089 -6.975 -6.975 425 1HB ALA 60 HB1 ALA 60 25.720 -7.730 -7.730 426 2HB ALA 60 HB3 ALA 60 24.270 -7.525 -7.525 427 3HB ALA 60 HB2 ALA 60 25.261 -6.125 -6.125 428 H PHE 61 HN PHE 61 26.170 -4.939 -4.939 429 HA PHE 61 HA PHE 61 24.045 -5.177 -5.177 430 1HB PHE 61 HB2 PHE 61 26.882 -4.434 -4.434 431 2HB PHE 61 HB1 PHE 61 25.551 -3.848 -3.848 432 HD1 PHE 61 HD1 PHE 61 23.777 -6.365 -6.365 433 HD2 PHE 61 HD2 PHE 61 27.885 -5.794 -5.794 434 HE1 PHE 61 HE1 PHE 61 23.721 -8.466 -8.466 435 HE2 PHE 61 HE2 PHE 61 27.836 -7.892 -7.892 436 HZ PHE 61 HZ PHE 61 25.751 -9.226 -9.226 437 H ALA 62 HN ALA 62 24.678 -3.745 -3.745 438 HA ALA 62 HA ALA 62 24.918 -0.970 -0.970 439 1HB ALA 62 HB1 ALA 62 25.136 -2.011 -2.011 440 2HB ALA 62 HB3 ALA 62 23.391 -2.265 -2.265 441 3HB ALA 62 HB2 ALA 62 24.043 -0.627 -0.627 442 H GLY 63 HN GLY 63 22.412 -3.146 -3.146 443 1HA GLY 63 HA2 GLY 63 20.569 -0.852 -0.852 444 2HA GLY 63 HA1 GLY 63 19.966 -2.363 -2.363 445 H ARG 64 HN ARG 64 22.520 -2.843 -2.843 446 HA ARG 64 HA ARG 64 20.630 -3.819 -3.819 447 1HB ARG 64 HB2 ARG 64 23.314 -4.658 -4.658 448 2HB ARG 64 HB1 ARG 64 23.040 -4.791 -4.791 449 1HG ARG 64 HG2 ARG 64 21.240 -5.961 -5.961 450 2HG ARG 64 HG1 ARG 64 22.394 -6.877 -6.877 451 1HD ARG 64 HD2 ARG 64 21.206 -6.006 -6.006 452 2HD ARG 64 HD1 ARG 64 19.954 -5.389 -5.389 453 HE ARG 64 HE ARG 64 19.170 -7.600 -7.600 454 1HH1 ARG 64 HH21 ARG 64 20.809 -9.383 -9.383 455 2HH1 ARG 64 HH22 ARG 64 21.599 -10.274 -10.274 456 1HH2 ARG 64 HH11 ARG 64 20.875 -7.946 -7.946 457 2HH2 ARG 64 HH12 ARG 64 21.637 -9.460 -9.460 458 H LEU 65 HN LEU 65 23.700 -2.126 -2.126 459 HA LEU 65 HA LEU 65 23.446 -0.944 -0.944 460 1HB LEU 65 HB2 LEU 65 25.717 -0.065 -0.065 461 2HB LEU 65 HB1 LEU 65 25.697 -0.684 -0.684 462 HG LEU 65 HG LEU 65 25.604 -2.293 -2.293 463 1HD1 LEU 65 HD11 LEU 65 27.629 -1.903 -1.903 464 2HD1 LEU 65 HD13 LEU 65 27.661 -3.330 -3.330 465 3HD1 LEU 65 HD12 LEU 65 27.853 -1.728 -1.728 466 1HD2 LEU 65 HD22 LEU 65 24.362 -2.913 -2.913 467 2HD2 LEU 65 HD21 LEU 65 24.757 -4.049 -4.049 468 3HD2 LEU 65 HD23 LEU 65 25.884 -3.804 -3.804 469 H THR 66 HN THR 66 22.589 0.979 0.979 470 HA THR 66 HA THR 66 21.308 2.531 2.531 471 HB THR 66 HB THR 66 22.824 3.805 3.805 472 HG1 THR 66 HG1 THR 66 21.037 3.131 3.131 473 1HG2 THR 66 HG23 THR 66 20.601 4.505 4.505 474 2HG2 THR 66 HG22 THR 66 20.205 4.705 4.705 475 3HG2 THR 66 HG21 THR 66 21.595 5.546 5.546 476 H ASP 67 HN ASP 67 22.110 4.973 4.973 477 HA ASP 67 HA ASP 67 24.254 4.737 4.737 478 1HB ASP 67 HB2 ASP 67 22.888 7.169 7.169 479 2HB ASP 67 HB1 ASP 67 24.064 7.248 7.248 480 H GLU 68 HN GLU 68 24.045 6.674 6.674 481 HA GLU 68 HA GLU 68 26.895 7.157 7.157 482 1HB GLU 68 HB2 GLU 68 24.809 7.319 7.319 483 2HB GLU 68 HB1 GLU 68 26.389 8.112 8.112 484 1HG GLU 68 HG2 GLU 68 25.649 9.798 9.798 485 2HG GLU 68 HG1 GLU 68 24.804 8.686 8.686 486 H GLN 69 HN GLN 69 25.256 4.358 4.358 487 HA GLN 69 HA GLN 69 26.876 3.272 3.272 488 1HB GLN 69 HB2 GLN 69 24.296 2.580 2.580 489 2HB GLN 69 HB1 GLN 69 25.218 1.258 1.258 490 1HG GLN 69 HG2 GLN 69 23.592 2.201 2.201 491 2HG GLN 69 HG1 GLN 69 25.240 2.504 2.504 492 1HE2 GLN 69 HE22 GLN 69 25.121 5.971 5.971 493 2HE2 GLN 69 HE21 GLN 69 26.180 4.656 4.656 494 H ILE 70 HN ILE 70 26.359 3.120 3.120 495 HA ILE 70 HA ILE 70 27.977 0.705 0.705 496 HB ILE 70 HB ILE 70 27.240 2.962 2.962 497 1HG1 ILE 70 HG12 ILE 70 25.383 1.475 1.475 498 2HG1 ILE 70 HG11 ILE 70 25.630 1.413 1.413 499 1HG2 ILE 70 HG22 ILE 70 28.718 0.358 0.358 500 2HG2 ILE 70 HG21 ILE 70 27.959 1.252 1.252 501 3HG2 ILE 70 HG23 ILE 70 29.265 1.989 1.989 502 1HD1 ILE 70 HD13 ILE 70 27.133 -0.519 -0.519 503 2HD1 ILE 70 HD12 ILE 70 25.417 -0.811 -0.811 504 3HD1 ILE 70 HD11 ILE 70 26.528 -0.716 -0.716 505 H GLN 71 HN GLN 71 28.308 4.105 4.105 506 HA GLN 71 HA GLN 71 31.093 4.350 4.350 507 1HB GLN 71 HB2 GLN 71 28.860 6.016 6.016 508 2HB GLN 71 HB1 GLN 71 30.492 6.593 6.593 509 1HG GLN 71 HG2 GLN 71 29.577 7.481 7.481 510 2HG GLN 71 HG1 GLN 71 31.024 6.499 6.499 511 1HE2 GLN 71 HE22 GLN 71 27.402 5.107 5.107 512 2HE2 GLN 71 HE21 GLN 71 27.464 6.430 6.430 513 H ASP 72 HN ASP 72 29.327 5.074 5.074 514 HA ASP 72 HA ASP 72 31.438 5.209 5.209 515 1HB ASP 72 HB2 ASP 72 29.237 6.076 6.076 516 2HB ASP 72 HB1 ASP 72 28.536 4.468 4.468 517 H VAL 73 HN VAL 73 29.669 2.398 2.398 518 HA VAL 73 HA VAL 73 30.614 0.599 0.599 519 HB VAL 73 HB VAL 73 28.660 0.108 0.108 520 1HG1 VAL 73 HG13 VAL 73 30.240 0.852 0.852 521 2HG1 VAL 73 HG12 VAL 73 30.549 -0.884 -0.884 522 3HG1 VAL 73 HG11 VAL 73 28.903 -0.278 -0.278 523 1HG2 VAL 73 HG23 VAL 73 30.974 -1.761 -1.761 524 2HG2 VAL 73 HG22 VAL 73 29.416 -1.766 -1.766 525 3HG2 VAL 73 HG21 VAL 73 29.532 -2.305 -2.305 526 H ALA 74 HN ALA 74 31.869 1.820 1.820 527 HA ALA 74 HA ALA 74 34.011 -0.126 -0.126 528 1HB ALA 74 HB3 ALA 74 33.127 1.522 1.522 529 2HB ALA 74 HB2 ALA 74 34.156 2.714 2.714 530 3HB ALA 74 HB1 ALA 74 34.868 1.258 1.258 531 H ALA 75 HN ALA 75 33.897 3.293 3.293 532 HA ALA 75 HA ALA 75 36.456 3.416 3.416 533 1HB ALA 75 HB2 ALA 75 33.885 4.928 4.928 534 2HB ALA 75 HB1 ALA 75 35.002 5.114 5.114 535 3HB ALA 75 HB3 ALA 75 35.522 5.531 5.531 536 H TYR 76 HN TYR 76 33.479 1.927 1.927 537 HA TYR 76 HA TYR 76 33.858 1.658 1.658 538 1HB TYR 76 HB2 TYR 76 31.664 1.267 1.267 539 2HB TYR 76 HB1 TYR 76 32.381 -0.149 -0.149 540 HD1 TYR 76 HD1 TYR 76 33.842 -0.874 -0.874 541 HD2 TYR 76 HD2 TYR 76 29.932 -0.184 -0.184 542 HE1 TYR 76 HE1 TYR 76 32.983 -2.356 -2.356 543 HE2 TYR 76 HE2 TYR 76 29.068 -1.654 -1.654 544 HH TYR 76 HH TYR 76 30.376 -2.369 -2.369 545 H VAL 77 HN VAL 77 34.591 -0.501 -0.501 546 HA VAL 77 HA VAL 77 35.979 -2.436 -2.436 547 HB VAL 77 HB VAL 77 36.040 -1.772 -1.772 548 1HG1 VAL 77 HG12 VAL 77 37.762 -3.575 -3.575 549 2HG1 VAL 77 HG11 VAL 77 37.084 -4.271 -4.271 550 3HG1 VAL 77 HG13 VAL 77 38.079 -2.817 -2.817 551 1HG2 VAL 77 HG22 VAL 77 34.536 -3.571 -3.571 552 2HG2 VAL 77 HG21 VAL 77 34.057 -2.862 -2.862 553 3HG2 VAL 77 HG23 VAL 77 35.078 -4.300 -4.300 554 H LEU 78 HN LEU 78 36.888 0.683 0.683 555 HA LEU 78 HA LEU 78 39.773 0.141 0.141 556 1HB LEU 78 HB2 LEU 78 38.636 2.895 2.895 557 2HB LEU 78 HB1 LEU 78 40.163 2.230 2.230 558 HG LEU 78 HG LEU 78 37.393 1.797 1.797 559 1HD1 LEU 78 HD13 LEU 78 39.545 3.411 3.411 560 2HD1 LEU 78 HD12 LEU 78 39.660 2.046 2.046 561 3HD1 LEU 78 HD11 LEU 78 38.178 2.997 2.997 562 1HD2 LEU 78 HD21 LEU 78 39.575 -0.146 -0.146 563 2HD2 LEU 78 HD23 LEU 78 37.896 -0.390 -0.390 564 3HD2 LEU 78 HD22 LEU 78 39.076 0.174 0.174 565 H ASP 79 HN ASP 79 37.180 0.914 0.914 566 HA ASP 79 HA ASP 79 38.726 2.519 2.519 567 1HB ASP 79 HB2 ASP 79 36.186 2.776 2.776 568 2HB ASP 79 HB1 ASP 79 35.936 1.618 1.618 569 H GLN 80 HN GLN 80 37.000 -0.524 -0.524 570 HA GLN 80 HA GLN 80 37.517 -1.498 -1.498 571 1HB GLN 80 HB2 GLN 80 36.908 -3.062 -3.062 572 2HB GLN 80 HB1 GLN 80 36.598 -3.542 -3.542 573 1HG GLN 80 HG2 GLN 80 35.366 -1.155 -1.155 574 2HG GLN 80 HG1 GLN 80 34.554 -2.702 -2.702 575 1HE2 GLN 80 HE22 GLN 80 34.914 -0.171 -0.171 576 2HE2 GLN 80 HE21 GLN 80 35.722 0.169 0.169 577 H ALA 81 HN ALA 81 38.963 -2.071 -2.071 578 HA ALA 81 HA ALA 81 41.016 -3.852 -3.852 579 1HB ALA 81 HB3 ALA 81 40.608 -2.481 -2.481 580 2HB ALA 81 HB2 ALA 81 42.024 -3.477 -3.477 581 3HB ALA 81 HB1 ALA 81 40.411 -4.190 -4.190 582 H ALA 82 HN ALA 82 40.570 -0.547 -0.547 583 HA ALA 82 HA ALA 82 43.280 0.324 0.324 584 1HB ALA 82 HB3 ALA 82 40.723 1.526 1.526 585 2HB ALA 82 HB2 ALA 82 42.033 2.207 2.207 586 3HB ALA 82 HB1 ALA 82 42.121 2.249 2.249 587 H LYS 83 HN LYS 83 41.715 -1.318 -1.318 588 HA LYS 83 HA LYS 83 44.071 -1.479 -1.479 589 1HB LYS 83 HB2 LYS 83 43.449 0.010 0.010 590 2HB LYS 83 HB1 LYS 83 43.762 0.908 0.908 591 1HG LYS 83 HG2 LYS 83 40.959 0.000 0.000 592 2HG LYS 83 HG1 LYS 83 41.558 1.329 1.329 593 1HD LYS 83 HD2 LYS 83 42.443 2.082 2.082 594 2HD LYS 83 HD1 LYS 83 40.934 1.266 1.266 595 1HE LYS 83 HE2 LYS 83 41.265 3.515 3.515 596 2HE LYS 83 HE1 LYS 83 40.495 3.637 3.637 597 1HZ LYS 83 HZ2 LYS 83 39.306 1.506 1.506 598 2HZ LYS 83 HZ1 LYS 83 39.377 2.782 2.782 599 3HZ LYS 83 HZ3 LYS 83 38.611 3.011 3.011 600 H GLY 84 HN GLY 84 42.630 -3.585 -3.585 601 1HA GLY 84 HA2 GLY 84 41.755 -5.274 -5.274 602 2HA GLY 84 HA1 GLY 84 41.262 -4.005 -4.005 603 H TRP 85 HN TRP 85 40.544 -5.380 -5.380 604 HA TRP 85 HA TRP 85 38.255 -4.132 -4.132 605 1HB TRP 85 HB2 TRP 85 39.406 -6.690 -6.690 606 2HB TRP 85 HB1 TRP 85 37.697 -6.950 -6.950 607 HD1 TRP 85 HD1 TRP 85 40.056 -5.770 -5.770 608 HE1 TRP 85 HE1 TRP 85 38.715 -4.933 -4.933 609 HE3 TRP 85 HE3 TRP 85 35.410 -5.632 -5.632 610 HZ2 TRP 85 HZ2 TRP 85 36.013 -4.314 -4.314 611 HZ3 TRP 85 HZ3 TRP 85 33.472 -4.874 -4.874 612 HH2 TRP 85 HH2 TRP 85 33.747 -4.221 -4.221 613 H ALA 86 HN ALA 86 37.203 -3.312 -3.312 614 HA ALA 86 HA ALA 86 35.623 -3.348 -3.348 615 1HB ALA 86 HB3 ALA 86 34.646 -5.274 -5.274 616 2HB ALA 86 HB2 ALA 86 33.784 -5.187 -5.187 617 3HB ALA 86 HB1 ALA 86 33.940 -3.747 -3.747 618 H GLY 87 HN GLY 87 38.006 -5.276 -5.276 619 1HA GLY 87 HA2 GLY 87 37.341 -7.717 -7.717 620 2HA GLY 87 HA1 GLY 87 38.797 -6.805 -6.805 621 HHA HEC 88 HA HEM 88 36.131 -10.871 -10.871 622 HHB HEC 88 HB HEM 88 33.894 -6.152 -6.152 623 HHC HEC 88 HC HEM 88 28.287 -9.144 -9.144 624 HHD HEC 88 HD HEM 88 30.822 -14.159 -14.159 625 1HMA HEC 88 HMA1 HEM 88 36.542 -5.626 -5.626 626 2HMA HEC 88 HMA2 HEM 88 37.453 -6.638 -6.638 627 3HMA HEC 88 HMA3 HEM 88 35.898 -5.856 -5.856 628 1HAA HEC 88 HAA1 HEM 88 37.794 -9.699 -9.699 629 2HAA HEC 88 HAA2 HEM 88 38.225 -8.115 -8.115 630 1HBA HEC 88 HBA1 HEM 88 36.592 -8.274 -8.274 631 2HBA HEC 88 HBA2 HEM 88 37.540 -6.880 -6.880 632 1HMB HEC 88 HMB1 HEM 88 31.479 -5.369 -5.369 633 2HMB HEC 88 HMB2 HEM 88 31.056 -4.445 -4.445 634 3HMB HEC 88 HMB3 HEM 88 32.741 -5.052 -5.052 635 HAB HEC 88 HAB HEM 88 28.011 -7.260 -7.260 636 1HBB HEC 88 HBB1 HEM 88 28.751 -4.372 -4.372 637 2HBB HEC 88 HBB2 HEM 88 27.553 -5.275 -5.275 638 3HBB HEC 88 HBB3 HEM 88 29.300 -5.284 -5.284 639 1HMC HEC 88 HMC1 HEM 88 26.289 -11.842 -11.842 640 2HMC HEC 88 HMC2 HEM 88 26.931 -12.124 -12.124 641 3HMC HEC 88 HMC3 HEM 88 26.825 -10.443 -10.443 642 HAC HEC 88 HAC HEM 88 29.392 -14.758 -14.758 643 1HBC HEC 88 HBC1 HEM 88 27.635 -14.239 -14.239 644 2HBC HEC 88 HBC2 HEM 88 26.445 -14.005 -14.005 645 3HBC HEC 88 HBC3 HEM 88 27.219 -15.615 -15.615 646 1HMD HEC 88 HMD1 HEM 88 31.888 -15.170 -15.170 647 2HMD HEC 88 HMD2 HEM 88 33.403 -15.141 -15.141 648 3HMD HEC 88 HMD3 HEM 88 33.440 -15.771 -15.771 649 1HAD HEC 88 HAD1 HEM 88 35.756 -14.412 -14.412 650 2HAD HEC 88 HAD2 HEM 88 36.483 -12.781 -12.781 651 1HBD HEC 88 HBD1 HEM 88 34.985 -13.871 -13.871 652 2HBD HEC 88 HBD2 HEM 88 34.614 -12.163 -12.163 Start of MODEL 8 1 1H ALA 1 HT2 ALA 1 29.847 11.303 11.303 2 2H ALA 1 HT1 ALA 1 30.220 10.121 10.121 3 3H ALA 1 HT3 ALA 1 31.230 11.470 11.470 4 HA ALA 1 HA ALA 1 32.229 10.678 10.678 5 1HB ALA 1 HB2 ALA 1 31.471 8.566 8.566 6 2HB ALA 1 HB1 ALA 1 31.871 7.953 7.953 7 3HB ALA 1 HB3 ALA 1 33.044 8.922 8.922 8 H ASP 2 HN ASP 2 32.075 9.116 9.116 9 HA ASP 2 HA ASP 2 29.255 9.145 9.145 10 1HB ASP 2 HB2 ASP 2 31.804 9.129 9.129 11 2HB ASP 2 HB1 ASP 2 30.153 9.325 9.325 12 H LEU 3 HN LEU 3 32.138 7.193 7.193 13 HA LEU 3 HA LEU 3 31.232 4.959 4.959 14 1HB LEU 3 HB2 LEU 3 33.225 5.143 5.143 15 2HB LEU 3 HB1 LEU 3 32.902 3.647 3.647 16 HG LEU 3 HG LEU 3 34.904 5.130 5.130 17 1HD1 LEU 3 HD11 LEU 3 32.995 3.486 3.486 18 2HD1 LEU 3 HD13 LEU 3 33.645 4.719 4.719 19 3HD1 LEU 3 HD12 LEU 3 34.738 3.619 3.619 20 1HD2 LEU 3 HD21 LEU 3 32.587 6.594 6.594 21 2HD2 LEU 3 HD23 LEU 3 33.683 7.263 7.263 22 3HD2 LEU 3 HD22 LEU 3 34.291 6.828 6.828 23 H ALA 4 HN ALA 4 30.086 6.280 6.280 24 HA ALA 4 HA ALA 4 29.365 3.984 3.984 25 1HB ALA 4 HB3 ALA 4 28.189 6.744 6.744 26 2HB ALA 4 HB2 ALA 4 27.343 5.522 5.522 27 3HB ALA 4 HB1 ALA 4 28.969 6.028 6.028 28 H ASN 5 HN ASN 5 28.341 5.321 5.321 29 HA ASN 5 HA ASN 5 25.790 3.943 3.943 30 1HB ASN 5 HB2 ASN 5 27.193 6.022 6.022 31 2HB ASN 5 HB1 ASN 5 26.973 4.753 4.753 32 1HD2 ASN 5 HD22 ASN 5 23.873 6.746 6.746 33 2HD2 ASN 5 HD21 ASN 5 25.514 6.918 6.918 34 H GLY 6 HN GLY 6 29.132 3.457 3.457 35 1HA GLY 6 HA2 GLY 6 28.683 1.212 1.212 36 2HA GLY 6 HA1 GLY 6 30.207 1.583 1.583 37 H ALA 7 HN ALA 7 29.690 1.337 1.337 38 HA ALA 7 HA ALA 7 29.714 -1.388 -1.388 39 1HB ALA 7 HB1 ALA 7 29.471 1.032 1.032 40 2HB ALA 7 HB3 ALA 7 28.488 -0.260 -0.260 41 3HB ALA 7 HB2 ALA 7 30.217 -0.508 -0.508 42 H LYS 8 HN LYS 8 26.972 0.629 0.629 43 HA LYS 8 HA LYS 8 25.030 -1.272 -1.272 44 1HB LYS 8 HB2 LYS 8 24.070 0.847 0.847 45 2HB LYS 8 HB1 LYS 8 24.925 1.199 1.199 46 1HG LYS 8 HG2 LYS 8 23.104 -1.085 -1.085 47 2HG LYS 8 HG1 LYS 8 22.264 0.385 0.385 48 1HD LYS 8 HD2 LYS 8 24.009 -0.022 -0.022 49 2HD LYS 8 HD1 LYS 8 22.296 0.391 0.391 50 1HE LYS 8 HE2 LYS 8 23.577 2.354 2.354 51 2HE LYS 8 HE1 LYS 8 24.596 2.138 2.138 52 1HZ LYS 8 HZ3 LYS 8 22.230 2.158 2.158 53 2HZ LYS 8 HZ2 LYS 8 21.849 3.107 3.107 54 3HZ LYS 8 HZ1 LYS 8 23.093 3.585 3.585 55 H VAL 9 HN VAL 9 26.376 -0.385 -0.385 56 HA VAL 9 HA VAL 9 25.101 -2.288 -2.288 57 HB VAL 9 HB VAL 9 28.011 -1.455 -1.455 58 1HG1 VAL 9 HG12 VAL 9 26.767 -3.203 -3.203 59 2HG1 VAL 9 HG11 VAL 9 26.106 -1.744 -1.744 60 3HG1 VAL 9 HG13 VAL 9 27.849 -1.998 -1.998 61 1HG2 VAL 9 HG22 VAL 9 25.486 0.056 0.056 62 2HG2 VAL 9 HG21 VAL 9 26.887 0.593 0.593 63 3HG2 VAL 9 HG23 VAL 9 26.997 0.429 0.429 64 H PHE 10 HN PHE 10 28.389 -2.530 -2.530 65 HA PHE 10 HA PHE 10 28.711 -5.281 -5.281 66 1HB PHE 10 HB2 PHE 10 30.545 -3.636 -3.636 67 2HB PHE 10 HB1 PHE 10 30.077 -3.627 -3.627 68 HD1 PHE 10 HD1 PHE 10 29.833 -5.894 -5.894 69 HD2 PHE 10 HD2 PHE 10 32.084 -5.281 -5.281 70 HE1 PHE 10 HE1 PHE 10 31.018 -7.980 -7.980 71 HE2 PHE 10 HE2 PHE 10 33.298 -7.408 -7.408 72 HZ PHE 10 HZ PHE 10 32.770 -8.769 -8.769 73 H SER 11 HN SER 11 27.236 -3.661 -3.661 74 HA SER 11 HA SER 11 27.161 -6.179 -6.179 75 1HB SER 11 HB2 SER 11 27.508 -4.008 -4.008 76 2HB SER 11 HB1 SER 11 25.903 -3.498 -3.498 77 HG SER 11 HG SER 11 26.593 -5.642 -5.642 78 H GLY 12 HN GLY 12 25.638 -5.546 -5.546 79 1HA GLY 12 HA2 GLY 12 23.197 -6.883 -6.883 80 2HA GLY 12 HA1 GLY 12 22.950 -5.273 -5.273 81 H ASN 13 HN ASN 13 25.624 -6.634 -6.634 82 HA ASN 13 HA ASN 13 24.089 -8.190 -8.190 83 1HB ASN 13 HB2 ASN 13 25.617 -5.878 -5.878 84 2HB ASN 13 HB1 ASN 13 24.220 -6.730 -6.730 85 1HD2 ASN 13 HD22 ASN 13 23.648 -3.409 -3.409 86 2HD2 ASN 13 HD21 ASN 13 25.190 -3.926 -3.926 87 H CYS 14 HN CYS 14 27.170 -6.524 -6.524 88 HA CYS 14 HA CYS 14 28.713 -8.455 -8.455 89 1HB CYS 14 HB2 CYS 14 29.899 -6.605 -6.605 90 2HB CYS 14 HB1 CYS 14 30.574 -7.115 -7.115 91 H ALA 15 HN ALA 15 27.817 -7.998 -7.998 92 HA ALA 15 HA ALA 15 29.693 -9.579 -9.579 93 1HB ALA 15 HB2 ALA 15 26.989 -8.610 -8.610 94 2HB ALA 15 HB1 ALA 15 27.302 -10.162 -10.162 95 3HB ALA 15 HB3 ALA 15 28.345 -8.780 -8.780 96 H ALA 16 HN ALA 16 26.745 -10.642 -10.642 97 HA ALA 16 HA ALA 16 26.845 -13.369 -13.369 98 1HB ALA 16 HB2 ALA 16 25.754 -12.136 -12.136 99 2HB ALA 16 HB1 ALA 16 25.428 -13.783 -13.783 100 3HB ALA 16 HB3 ALA 16 24.864 -12.415 -12.415 101 H CYS 17 HN CYS 17 28.481 -11.707 -11.707 102 HA CYS 17 HA CYS 17 29.763 -14.319 -14.319 103 1HB CYS 17 HB2 CYS 17 29.021 -11.906 -11.906 104 2HB CYS 17 HB1 CYS 17 30.466 -12.765 -12.765 105 H HIS 18 HN HIS 18 30.459 -12.190 -12.190 106 HA HIS 18 HA HIS 18 33.339 -12.266 -12.266 107 1HB HIS 18 HB2 HIS 18 31.773 -9.675 -9.675 108 2HB HIS 18 HB1 HIS 18 33.511 -9.776 -9.776 109 HD1 HIS 18 HD1 HIS 18 34.999 -10.429 -10.429 110 HD2 HIS 18 HD2 HIS 18 30.992 -9.980 -9.980 111 HE1 HIS 18 HE1 HIS 18 34.905 -10.382 -10.382 112 H MET 19 HN MET 19 30.850 -10.800 -10.800 113 HA MET 19 HA MET 19 30.784 -10.469 -10.469 114 1HB MET 19 HB2 MET 19 31.110 -12.627 -12.627 115 2HB MET 19 HB1 MET 19 30.015 -12.744 -12.744 116 1HG MET 19 HG2 MET 19 31.804 -13.688 -13.688 117 2HG MET 19 HG1 MET 19 32.956 -13.499 -13.499 118 1HE MET 19 HE3 MET 19 32.516 -14.443 -14.443 119 2HE MET 19 HE2 MET 19 30.779 -14.160 -14.160 120 3HE MET 19 HE1 MET 19 31.415 -15.768 -15.768 121 H GLY 20 HN GLY 20 32.195 -9.124 -9.124 122 1HA GLY 20 HA2 GLY 20 34.213 -8.319 -8.319 123 2HA GLY 20 HA1 GLY 20 34.417 -9.982 -9.982 124 H GLY 21 HN GLY 21 34.536 -8.315 -8.315 125 1HA GLY 21 HA2 GLY 21 35.977 -8.691 -8.691 126 2HA GLY 21 HA1 GLY 21 37.218 -8.446 -8.446 127 H GLY 22 HN GLY 22 35.074 -10.986 -10.986 128 1HA GLY 22 HA2 GLY 22 37.330 -12.881 -12.881 129 2HA GLY 22 HA1 GLY 22 35.966 -13.297 -13.297 130 H ASN 23 HN ASN 23 37.054 -12.999 -12.999 131 HA ASN 23 HA ASN 23 34.760 -13.208 -13.208 132 1HB ASN 23 HB2 ASN 23 37.393 -13.539 -13.539 133 2HB ASN 23 HB1 ASN 23 36.842 -15.212 -15.212 134 1HD2 ASN 23 HD22 ASN 23 35.305 -12.412 -12.412 135 2HD2 ASN 23 HD21 ASN 23 35.879 -11.904 -11.904 136 H VAL 24 HN VAL 24 33.530 -15.065 -15.065 137 HA VAL 24 HA VAL 24 33.458 -17.319 -17.319 138 HB VAL 24 HB VAL 24 31.418 -16.029 -16.029 139 1HG1 VAL 24 HG13 VAL 24 31.492 -16.253 -16.253 140 2HG1 VAL 24 HG12 VAL 24 30.024 -15.814 -15.814 141 3HG1 VAL 24 HG11 VAL 24 31.454 -14.785 -14.785 142 1HG2 VAL 24 HG21 VAL 24 31.045 -18.510 -18.510 143 2HG2 VAL 24 HG23 VAL 24 31.131 -18.459 -18.459 144 3HG2 VAL 24 HG22 VAL 24 29.767 -17.718 -17.718 145 H VAL 25 HN VAL 25 33.274 -16.409 -16.409 146 HA VAL 25 HA VAL 25 33.158 -19.257 -19.257 147 HB VAL 25 HB VAL 25 33.388 -16.840 -16.840 148 1HG1 VAL 25 HG11 VAL 25 32.517 -19.716 -19.716 149 2HG1 VAL 25 HG13 VAL 25 32.149 -18.471 -18.471 150 3HG1 VAL 25 HG12 VAL 25 33.827 -18.879 -18.879 151 1HG2 VAL 25 HG21 VAL 25 31.117 -17.884 -17.884 152 2HG2 VAL 25 HG23 VAL 25 31.376 -16.272 -16.272 153 3HG2 VAL 25 HG22 VAL 25 30.766 -17.566 -17.566 154 H MET 26 HN MET 26 35.203 -16.534 -16.534 155 HA MET 26 HA MET 26 37.324 -18.218 -18.218 156 1HB MET 26 HB2 MET 26 37.011 -15.310 -15.310 157 2HB MET 26 HB1 MET 26 38.659 -15.940 -15.940 158 1HG MET 26 HG2 MET 26 36.722 -16.727 -16.727 159 2HG MET 26 HG1 MET 26 37.408 -15.102 -15.102 160 1HE MET 26 HE2 MET 26 38.282 -15.458 -15.458 161 2HE MET 26 HE1 MET 26 39.628 -14.672 -14.672 162 3HE MET 26 HE3 MET 26 39.928 -16.021 -16.021 163 H ALA 27 HN ALA 27 39.515 -18.376 -18.376 164 HA ALA 27 HA ALA 27 39.311 -18.456 -18.456 165 1HB ALA 27 HB2 ALA 27 40.773 -20.272 -20.272 166 2HB ALA 27 HB1 ALA 27 41.091 -20.270 -20.270 167 3HB ALA 27 HB3 ALA 27 39.493 -20.710 -20.710 168 H ASN 28 HN ASN 28 40.044 -16.080 -16.080 169 HA ASN 28 HA ASN 28 42.562 -15.565 -15.565 170 1HB ASN 28 HB2 ASN 28 43.738 -15.000 -15.000 171 2HB ASN 28 HB1 ASN 28 43.781 -16.655 -16.655 172 1HD2 ASN 28 HD22 ASN 28 41.369 -15.778 -15.778 173 2HD2 ASN 28 HD21 ASN 28 41.883 -14.519 -14.519 174 H LYS 29 HN LYS 29 40.357 -14.654 -14.654 175 HA LYS 29 HA LYS 29 41.012 -11.834 -11.834 176 1HB LYS 29 HB2 LYS 29 39.180 -13.561 -13.561 177 2HB LYS 29 HB1 LYS 29 38.407 -12.048 -12.048 178 1HG LYS 29 HG2 LYS 29 39.511 -10.978 -10.978 179 2HG LYS 29 HG1 LYS 29 41.044 -11.425 -11.425 180 1HD LYS 29 HD2 LYS 29 40.917 -13.633 -13.633 181 2HD LYS 29 HD1 LYS 29 39.458 -13.076 -13.076 182 1HE LYS 29 HE2 LYS 29 40.636 -11.381 -11.381 183 2HE LYS 29 HE1 LYS 29 42.043 -11.516 -11.516 184 1HZ LYS 29 HZ2 LYS 29 42.265 -13.846 -13.846 185 2HZ LYS 29 HZ1 LYS 29 41.098 -13.467 -13.467 186 3HZ LYS 29 HZ3 LYS 29 42.574 -12.631 -12.631 187 H THR 30 HN THR 30 40.886 -11.464 -11.464 188 HA THR 30 HA THR 30 38.143 -11.564 -11.564 189 HB THR 30 HB THR 30 40.626 -10.705 -10.705 190 HG1 THR 30 HG1 THR 30 39.845 -13.396 -13.396 191 1HG2 THR 30 HG22 THR 30 37.893 -11.585 -11.585 192 2HG2 THR 30 HG21 THR 30 39.135 -12.382 -12.382 193 3HG2 THR 30 HG23 THR 30 39.016 -10.624 -10.624 194 H LEU 31 HN LEU 31 38.249 -9.419 -9.419 195 HA LEU 31 HA LEU 31 38.486 -7.112 -7.112 196 1HB LEU 31 HB2 LEU 31 36.898 -7.114 -7.114 197 2HB LEU 31 HB1 LEU 31 36.797 -5.979 -5.979 198 HG LEU 31 HG LEU 31 35.488 -8.610 -8.610 199 1HD1 LEU 31 HD12 LEU 31 34.608 -6.141 -6.141 200 2HD1 LEU 31 HD11 LEU 31 34.861 -6.550 -6.550 201 3HD1 LEU 31 HD13 LEU 31 33.760 -7.513 -7.513 202 1HD2 LEU 31 HD23 LEU 31 37.175 -8.028 -8.028 203 2HD2 LEU 31 HD22 LEU 31 36.630 -9.576 -9.576 204 3HD2 LEU 31 HD21 LEU 31 35.536 -8.581 -8.581 205 H LYS 32 HN LYS 32 40.064 -8.544 -8.544 206 HA LYS 32 HA LYS 32 40.683 -6.321 -6.321 207 1HB LYS 32 HB2 LYS 32 42.929 -7.658 -7.658 208 2HB LYS 32 HB1 LYS 32 41.416 -8.339 -8.339 209 1HG LYS 32 HG2 LYS 32 41.779 -9.075 -9.075 210 2HG LYS 32 HG1 LYS 32 43.225 -9.495 -9.495 211 1HD LYS 32 HD2 LYS 32 40.460 -10.175 -10.175 212 2HD LYS 32 HD1 LYS 32 41.349 -11.254 -11.254 213 1HE LYS 32 HE2 LYS 32 43.065 -10.342 -10.342 214 2HE LYS 32 HE1 LYS 32 41.601 -11.073 -11.073 215 1HZ LYS 32 HZ3 LYS 32 42.407 -12.665 -12.665 216 2HZ LYS 32 HZ2 LYS 32 43.812 -12.332 -12.332 217 3HZ LYS 32 HZ1 LYS 32 42.465 -13.041 -13.041 218 H LYS 33 HN LYS 33 43.244 -7.689 -7.689 219 HA LYS 33 HA LYS 33 43.532 -5.609 -5.609 220 1HB LYS 33 HB2 LYS 33 45.389 -4.273 -4.273 221 2HB LYS 33 HB1 LYS 33 43.747 -3.963 -3.963 222 1HG LYS 33 HG2 LYS 33 44.090 -5.470 -5.470 223 2HG LYS 33 HG1 LYS 33 45.714 -5.854 -5.854 224 1HD LYS 33 HD2 LYS 33 44.977 -2.979 -2.979 225 2HD LYS 33 HD1 LYS 33 45.357 -3.977 -3.977 226 1HE LYS 33 HE2 LYS 33 47.199 -4.096 -4.096 227 2HE LYS 33 HE1 LYS 33 47.270 -2.671 -2.671 228 1HZ LYS 33 HZ1 LYS 33 47.347 -4.378 -4.378 229 2HZ LYS 33 HZ3 LYS 33 47.790 -5.490 -5.490 230 3HZ LYS 33 HZ2 LYS 33 48.756 -4.122 -4.122 231 H GLU 34 HN GLU 34 45.410 -7.586 -7.586 232 HA GLU 34 HA GLU 34 47.866 -7.718 -7.718 233 1HB GLU 34 HB2 GLU 34 46.391 -9.378 -9.378 234 2HB GLU 34 HB1 GLU 34 47.256 -10.395 -10.395 235 1HG GLU 34 HG2 GLU 34 49.058 -8.341 -8.341 236 2HG GLU 34 HG1 GLU 34 48.309 -8.840 -8.840 237 H ALA 35 HN ALA 35 44.881 -9.288 -9.288 238 HA ALA 35 HA ALA 35 46.282 -10.449 -10.449 239 1HB ALA 35 HB1 ALA 35 44.753 -11.807 -11.807 240 2HB ALA 35 HB3 ALA 35 43.445 -11.085 -11.085 241 3HB ALA 35 HB2 ALA 35 44.645 -12.101 -12.101 242 H LEU 36 HN LEU 36 43.039 -9.225 -9.225 243 HA LEU 36 HA LEU 36 42.209 -8.577 -8.577 244 1HB LEU 36 HB2 LEU 36 41.042 -6.563 -6.563 245 2HB LEU 36 HB1 LEU 36 40.630 -8.209 -8.209 246 HG LEU 36 HG LEU 36 42.967 -7.058 -7.058 247 1HD1 LEU 36 HD12 LEU 36 40.350 -5.689 -5.689 248 2HD1 LEU 36 HD11 LEU 36 41.036 -5.975 -5.975 249 3HD1 LEU 36 HD13 LEU 36 41.949 -5.058 -5.058 250 1HD2 LEU 36 HD22 LEU 36 41.332 -9.210 -9.210 251 2HD2 LEU 36 HD21 LEU 36 42.320 -8.520 -8.520 252 3HD2 LEU 36 HD23 LEU 36 40.626 -8.074 -8.074 253 H GLU 37 HN GLU 37 44.159 -6.371 -6.371 254 HA GLU 37 HA GLU 37 44.122 -4.246 -4.246 255 1HB GLU 37 HB2 GLU 37 44.905 -3.842 -3.842 256 2HB GLU 37 HB1 GLU 37 46.212 -5.012 -5.012 257 1HG GLU 37 HG2 GLU 37 47.409 -3.620 -3.620 258 2HG GLU 37 HG1 GLU 37 45.982 -2.669 -2.669 259 H GLN 38 HN GLN 38 46.211 -7.073 -7.073 260 HA GLN 38 HA GLN 38 48.113 -6.158 -6.158 261 1HB GLN 38 HB2 GLN 38 47.490 -9.006 -9.006 262 2HB GLN 38 HB1 GLN 38 48.990 -8.411 -8.411 263 1HG GLN 38 HG2 GLN 38 47.830 -7.543 -7.543 264 2HG GLN 38 HG1 GLN 38 49.157 -8.691 -8.691 265 1HE2 GLN 38 HE22 GLN 38 49.806 -4.712 -4.712 266 2HE2 GLN 38 HE21 GLN 38 48.221 -5.331 -5.331 267 H PHE 39 HN PHE 39 46.166 -9.076 -9.076 268 HA PHE 39 HA PHE 39 45.983 -8.588 -8.588 269 1HB PHE 39 HB2 PHE 39 45.362 -10.912 -10.912 270 2HB PHE 39 HB1 PHE 39 46.725 -10.723 -10.723 271 HD1 PHE 39 HD1 PHE 39 44.411 -9.398 -9.398 272 HD2 PHE 39 HD2 PHE 39 45.233 -13.175 -13.175 273 HE1 PHE 39 HE1 PHE 39 43.227 -10.562 -10.562 274 HE2 PHE 39 HE2 PHE 39 44.024 -14.337 -14.337 275 HZ PHE 39 HZ PHE 39 43.019 -13.033 -13.033 276 H GLY 40 HN GLY 40 44.191 -7.571 -7.571 277 1HA GLY 40 HA2 GLY 40 41.632 -7.936 -7.936 278 2HA GLY 40 HA1 GLY 40 41.674 -7.934 -7.934 279 H MET 41 HN MET 41 43.941 -5.725 -5.725 280 HA MET 41 HA MET 41 43.890 -3.393 -3.393 281 1HB MET 41 HB2 MET 41 42.083 -3.944 -3.944 282 2HB MET 41 HB1 MET 41 42.320 -2.290 -2.290 283 1HG MET 41 HG2 MET 41 44.884 -3.093 -3.093 284 2HG MET 41 HG1 MET 41 44.257 -4.127 -4.127 285 1HE MET 41 HE1 MET 41 45.842 -3.087 -3.087 286 2HE MET 41 HE3 MET 41 44.259 -3.421 -3.421 287 3HE MET 41 HE2 MET 41 45.117 -1.936 -1.936 288 H TYR 42 HN TYR 42 42.521 -4.563 -4.563 289 HA TYR 42 HA TYR 42 39.887 -4.081 -4.081 290 1HB TYR 42 HB2 TYR 42 40.426 -4.080 -4.080 291 2HB TYR 42 HB1 TYR 42 41.822 -4.874 -4.874 292 HD1 TYR 42 HD1 TYR 42 43.324 -2.591 -2.591 293 HD2 TYR 42 HD2 TYR 42 41.210 -2.962 -2.962 294 HE1 TYR 42 HE1 TYR 42 44.797 -0.870 -0.870 295 HE2 TYR 42 HE2 TYR 42 42.678 -1.249 -1.249 296 HH TYR 42 HH TYR 42 45.216 -0.424 -0.424 297 H SER 43 HN SER 43 42.235 -1.579 -1.579 298 HA SER 43 HA SER 43 41.259 0.682 0.682 299 1HB SER 43 HB2 SER 43 42.823 0.123 0.123 300 2HB SER 43 HB1 SER 43 41.578 1.255 1.255 301 HG SER 43 HG SER 43 42.193 2.356 2.356 302 H GLU 44 HN GLU 44 39.815 2.411 2.411 303 HA GLU 44 HA GLU 44 37.155 1.577 1.577 304 1HB GLU 44 HB2 GLU 44 38.612 4.050 4.050 305 2HB GLU 44 HB1 GLU 44 37.306 3.951 3.951 306 1HG GLU 44 HG2 GLU 44 35.673 4.009 4.009 307 2HG GLU 44 HG1 GLU 44 36.635 3.091 3.091 308 H ASP 45 HN ASP 45 38.762 3.065 3.065 309 HA ASP 45 HA ASP 45 37.079 2.395 2.395 310 1HB ASP 45 HB2 ASP 45 39.162 3.564 3.564 311 2HB ASP 45 HB1 ASP 45 40.046 2.070 2.070 312 H ALA 46 HN ALA 46 39.562 0.056 0.056 313 HA ALA 46 HA ALA 46 38.731 -2.019 -2.019 314 1HB ALA 46 HB2 ALA 46 40.627 -1.668 -1.668 315 2HB ALA 46 HB1 ALA 46 39.760 -3.185 -3.185 316 3HB ALA 46 HB3 ALA 46 40.600 -2.905 -2.905 317 H ILE 47 HN ILE 47 38.310 -2.232 -2.232 318 HA ILE 47 HA ILE 47 36.321 -4.217 -4.217 319 HB ILE 47 HB ILE 47 37.374 -3.412 -3.412 320 1HG1 ILE 47 HG12 ILE 47 34.384 -2.932 -2.932 321 2HG1 ILE 47 HG11 ILE 47 35.088 -4.538 -4.538 322 1HG2 ILE 47 HG21 ILE 47 36.312 -0.884 -0.884 323 2HG2 ILE 47 HG23 ILE 47 35.766 -1.248 -1.248 324 3HG2 ILE 47 HG22 ILE 47 37.494 -1.202 -1.202 325 1HD1 ILE 47 HD11 ILE 47 36.468 -3.785 -3.785 326 2HD1 ILE 47 HD13 ILE 47 35.339 -2.436 -2.436 327 3HD1 ILE 47 HD12 ILE 47 34.750 -4.087 -4.087 328 H ILE 48 HN ILE 48 36.099 -0.906 -0.906 329 HA ILE 48 HA ILE 48 33.256 -0.541 -0.541 330 HB ILE 48 HB ILE 48 35.466 0.932 0.932 331 1HG1 ILE 48 HG12 ILE 48 33.450 1.758 1.758 332 2HG1 ILE 48 HG11 ILE 48 35.087 1.210 1.210 333 1HG2 ILE 48 HG22 ILE 48 32.630 0.983 0.983 334 2HG2 ILE 48 HG21 ILE 48 33.219 2.561 2.561 335 3HG2 ILE 48 HG23 ILE 48 33.995 1.736 1.736 336 1HD1 ILE 48 HD13 ILE 48 34.363 3.613 3.613 337 2HD1 ILE 48 HD12 ILE 48 34.961 3.682 3.682 338 3HD1 ILE 48 HD11 ILE 48 35.999 3.072 3.072 339 H TYR 49 HN TYR 49 35.350 -1.572 -1.572 340 HA TYR 49 HA TYR 49 33.147 -1.726 -1.726 341 1HB TYR 49 HB2 TYR 49 35.308 -1.368 -1.368 342 2HB TYR 49 HB1 TYR 49 36.004 -2.719 -2.719 343 HD1 TYR 49 HD1 TYR 49 33.234 -1.994 -1.994 344 HD2 TYR 49 HD2 TYR 49 36.207 -4.785 -4.785 345 HE1 TYR 49 HE1 TYR 49 32.619 -3.534 -3.534 346 HE2 TYR 49 HE2 TYR 49 35.585 -6.331 -6.331 347 HH TYR 49 HH TYR 49 33.893 -5.442 -5.442 348 H GLN 50 HN GLN 50 34.594 -3.953 -3.953 349 HA GLN 50 HA GLN 50 33.153 -6.195 -6.195 350 1HB GLN 50 HB2 GLN 50 34.018 -7.429 -7.429 351 2HB GLN 50 HB1 GLN 50 35.157 -7.010 -7.010 352 1HG GLN 50 HG2 GLN 50 34.726 -4.906 -4.906 353 2HG GLN 50 HG1 GLN 50 35.495 -6.370 -6.370 354 1HE2 GLN 50 HE22 GLN 50 38.537 -4.967 -4.967 355 2HE2 GLN 50 HE21 GLN 50 37.651 -5.396 -5.396 356 H VAL 51 HN VAL 51 32.666 -3.819 -3.819 357 HA VAL 51 HA VAL 51 30.557 -5.277 -5.277 358 HB VAL 51 HB VAL 51 31.592 -2.440 -2.440 359 1HG1 VAL 51 HG12 VAL 51 29.036 -3.452 -3.452 360 2HG1 VAL 51 HG11 VAL 51 29.978 -3.035 -3.035 361 3HG1 VAL 51 HG13 VAL 51 29.686 -1.823 -1.823 362 1HG2 VAL 51 HG22 VAL 51 32.906 -4.426 -4.426 363 2HG2 VAL 51 HG21 VAL 51 32.565 -3.080 -3.080 364 3HG2 VAL 51 HG23 VAL 51 31.599 -4.551 -4.551 365 H GLN 52 HN GLN 52 30.835 -2.557 -2.557 366 HA GLN 52 HA GLN 52 28.065 -1.940 -1.940 367 1HB GLN 52 HB2 GLN 52 30.524 -1.168 -1.168 368 2HB GLN 52 HB1 GLN 52 29.132 -1.132 -1.132 369 1HG GLN 52 HG2 GLN 52 28.545 0.839 0.839 370 2HG GLN 52 HG1 GLN 52 28.266 -0.021 -0.021 371 1HE2 GLN 52 HE22 GLN 52 31.523 0.865 0.865 372 2HE2 GLN 52 HE21 GLN 52 30.394 -0.414 -0.414 373 H HIS 53 HN HIS 53 29.780 -4.628 -4.628 374 HA HIS 53 HA HIS 53 27.385 -5.408 -5.408 375 1HB HIS 53 HB2 HIS 53 29.740 -5.729 -5.729 376 2HB HIS 53 HB1 HIS 53 28.128 -5.230 -5.230 377 HD1 HIS 53 HD1 HIS 53 28.271 -2.983 -2.983 378 HD2 HIS 53 HD2 HIS 53 30.869 -3.281 -3.281 379 HE1 HIS 53 HE1 HIS 53 29.410 -0.732 -0.732 380 H GLY 54 HN GLY 54 29.286 -6.269 -6.269 381 1HA GLY 54 HA2 GLY 54 30.250 -8.307 -8.307 382 2HA GLY 54 HA1 GLY 54 29.166 -9.047 -9.047 383 H LYS 55 HN LYS 55 30.565 -10.385 -10.385 384 HA LYS 55 HA LYS 55 32.031 -9.969 -9.969 385 1HB LYS 55 HB2 LYS 55 33.470 -8.822 -8.822 386 2HB LYS 55 HB1 LYS 55 34.415 -10.052 -10.052 387 1HG LYS 55 HG2 LYS 55 34.451 -7.503 -7.503 388 2HG LYS 55 HG1 LYS 55 34.584 -8.842 -8.842 389 1HD LYS 55 HD2 LYS 55 31.796 -8.122 -8.122 390 2HD LYS 55 HD1 LYS 55 32.721 -6.778 -6.778 391 1HE LYS 55 HE2 LYS 55 33.229 -7.925 -7.925 392 2HE LYS 55 HE1 LYS 55 32.944 -9.505 -9.505 393 1HZ LYS 55 HZ1 LYS 55 30.554 -8.737 -8.737 394 2HZ LYS 55 HZ3 LYS 55 30.954 -7.489 -7.489 395 3HZ LYS 55 HZ2 LYS 55 31.091 -9.109 -9.109 396 H ASN 56 HN ASN 56 32.929 -11.926 -11.926 397 HA ASN 56 HA ASN 56 33.254 -14.249 -14.249 398 1HB ASN 56 HB2 ASN 56 34.322 -13.396 -13.396 399 2HB ASN 56 HB1 ASN 56 34.386 -15.074 -15.074 400 1HD2 ASN 56 HD22 ASN 56 36.939 -12.321 -12.321 401 2HD2 ASN 56 HD21 ASN 56 35.716 -11.841 -11.841 402 H ALA 57 HN ALA 57 32.681 -14.148 -14.148 403 HA ALA 57 HA ALA 57 29.911 -15.180 -15.180 404 1HB ALA 57 HB1 ALA 57 31.683 -16.974 -16.974 405 2HB ALA 57 HB3 ALA 57 31.739 -16.225 -16.225 406 3HB ALA 57 HB2 ALA 57 30.233 -16.927 -16.927 407 H MET 58 HN MET 58 30.367 -12.539 -12.539 408 HA MET 58 HA MET 58 29.744 -12.258 -12.258 409 1HB MET 58 HB2 MET 58 31.948 -11.303 -11.303 410 2HB MET 58 HB1 MET 58 31.032 -10.183 -10.183 411 1HG MET 58 HG2 MET 58 29.946 -9.240 -9.240 412 2HG MET 58 HG1 MET 58 30.712 -10.440 -10.440 413 1HE MET 58 HE2 MET 58 30.557 -7.139 -7.139 414 2HE MET 58 HE1 MET 58 31.074 -7.641 -7.641 415 3HE MET 58 HE3 MET 58 32.078 -6.532 -6.532 416 HA PRO 59 HA PRO 59 25.912 -10.594 -10.594 417 1HB PRO 59 HB2 PRO 59 25.090 -9.565 -9.565 418 2HB PRO 59 HB1 PRO 59 25.069 -11.288 -11.288 419 1HG PRO 59 HG2 PRO 59 26.901 -9.784 -9.784 420 2HG PRO 59 HG1 PRO 59 26.492 -11.502 -11.502 421 1HD PRO 59 HD2 PRO 59 28.859 -10.309 -10.309 422 2HD PRO 59 HD1 PRO 59 28.372 -12.007 -12.007 423 H ALA 60 HN ALA 60 26.163 -8.790 -8.790 424 HA ALA 60 HA ALA 60 27.334 -6.344 -6.344 425 1HB ALA 60 HB1 ALA 60 24.582 -6.907 -6.907 426 2HB ALA 60 HB3 ALA 60 25.485 -5.415 -5.415 427 3HB ALA 60 HB2 ALA 60 26.107 -6.944 -6.944 428 H PHE 61 HN PHE 61 26.616 -4.286 -4.286 429 HA PHE 61 HA PHE 61 24.372 -4.283 -4.283 430 1HB PHE 61 HB2 PHE 61 27.214 -3.436 -3.436 431 2HB PHE 61 HB1 PHE 61 25.853 -2.849 -2.849 432 HD1 PHE 61 HD1 PHE 61 24.070 -4.996 -4.996 433 HD2 PHE 61 HD2 PHE 61 28.351 -5.144 -5.144 434 HE1 PHE 61 HE1 PHE 61 24.017 -7.109 -7.109 435 HE2 PHE 61 HE2 PHE 61 28.310 -7.254 -7.254 436 HZ PHE 61 HZ PHE 61 26.139 -8.238 -8.238 437 H ALA 62 HN ALA 62 25.672 -3.026 -3.026 438 HA ALA 62 HA ALA 62 25.781 -0.282 -0.282 439 1HB ALA 62 HB1 ALA 62 24.423 -1.997 -1.997 440 2HB ALA 62 HB3 ALA 62 24.748 -0.276 -0.276 441 3HB ALA 62 HB2 ALA 62 26.086 -1.409 -1.409 442 H GLY 63 HN GLY 63 22.933 -2.324 -2.324 443 1HA GLY 63 HA2 GLY 63 21.490 -0.029 -0.029 444 2HA GLY 63 HA1 GLY 63 20.808 -0.627 -0.627 445 H ARG 64 HN ARG 64 22.357 -2.529 -2.529 446 HA ARG 64 HA ARG 64 19.813 -4.045 -4.045 447 1HB ARG 64 HB2 ARG 64 22.338 -4.956 -4.956 448 2HB ARG 64 HB1 ARG 64 22.324 -4.919 -4.919 449 1HG ARG 64 HG2 ARG 64 20.137 -6.196 -6.196 450 2HG ARG 64 HG1 ARG 64 20.452 -6.430 -6.430 451 1HD ARG 64 HD2 ARG 64 22.725 -7.328 -7.328 452 2HD ARG 64 HD1 ARG 64 22.173 -7.311 -7.311 453 HE ARG 64 HE ARG 64 20.927 -8.990 -8.990 454 1HH1 ARG 64 HH21 ARG 64 18.954 -9.163 -9.163 455 2HH1 ARG 64 HH22 ARG 64 19.507 -10.227 -10.227 456 1HH2 ARG 64 HH11 ARG 64 22.847 -9.972 -9.972 457 2HH2 ARG 64 HH12 ARG 64 21.711 -10.684 -10.684 458 H LEU 65 HN LEU 65 22.572 -2.607 -2.607 459 HA LEU 65 HA LEU 65 21.064 -2.378 -2.378 460 1HB LEU 65 HB2 LEU 65 23.832 -1.313 -1.313 461 2HB LEU 65 HB1 LEU 65 23.113 -2.118 -2.118 462 HG LEU 65 HG LEU 65 23.923 -3.442 -3.442 463 1HD1 LEU 65 HD11 LEU 65 25.618 -2.712 -2.712 464 2HD1 LEU 65 HD13 LEU 65 25.012 -4.184 -4.184 465 3HD1 LEU 65 HD12 LEU 65 25.784 -4.261 -4.261 466 1HD2 LEU 65 HD22 LEU 65 22.071 -4.219 -4.219 467 2HD2 LEU 65 HD21 LEU 65 22.411 -5.017 -5.017 468 3HD2 LEU 65 HD23 LEU 65 23.406 -5.364 -5.364 469 H THR 66 HN THR 66 22.699 0.044 0.044 470 HA THR 66 HA THR 66 20.837 1.997 1.997 471 HB THR 66 HB THR 66 23.114 2.989 2.989 472 HG1 THR 66 HG1 THR 66 21.010 1.459 1.459 473 1HG2 THR 66 HG22 THR 66 20.177 3.438 3.438 474 2HG2 THR 66 HG21 THR 66 20.953 3.963 3.963 475 3HG2 THR 66 HG23 THR 66 21.505 4.598 4.598 476 H ASP 67 HN ASP 67 22.303 4.247 4.247 477 HA ASP 67 HA ASP 67 23.938 3.457 3.457 478 1HB ASP 67 HB2 ASP 67 23.296 6.295 6.295 479 2HB ASP 67 HB1 ASP 67 23.597 5.629 5.629 480 H GLU 68 HN GLU 68 24.134 5.743 5.743 481 HA GLU 68 HA GLU 68 27.005 6.125 6.125 482 1HB GLU 68 HB2 GLU 68 24.927 6.736 6.736 483 2HB GLU 68 HB1 GLU 68 26.639 7.117 7.117 484 1HG GLU 68 HG2 GLU 68 26.369 8.221 8.221 485 2HG GLU 68 HG1 GLU 68 24.676 8.315 8.315 486 H GLN 69 HN GLN 69 25.377 3.441 3.441 487 HA GLN 69 HA GLN 69 27.078 2.570 2.570 488 1HB GLN 69 HB2 GLN 69 24.463 1.799 1.799 489 2HB GLN 69 HB1 GLN 69 25.375 0.538 0.538 490 1HG GLN 69 HG2 GLN 69 23.753 1.824 1.824 491 2HG GLN 69 HG1 GLN 69 25.423 1.895 1.895 492 1HE2 GLN 69 HE22 GLN 69 25.861 5.292 5.292 493 2HE2 GLN 69 HE21 GLN 69 26.672 3.850 3.850 494 H ILE 70 HN ILE 70 26.304 1.984 1.984 495 HA ILE 70 HA ILE 70 27.989 -0.398 -0.398 496 HB ILE 70 HB ILE 70 27.506 1.434 1.434 497 1HG1 ILE 70 HG12 ILE 70 25.353 1.551 1.551 498 2HG1 ILE 70 HG11 ILE 70 25.226 0.309 0.309 499 1HG2 ILE 70 HG23 ILE 70 27.648 -1.536 -1.536 500 2HG2 ILE 70 HG22 ILE 70 26.950 -0.904 -0.904 501 3HG2 ILE 70 HG21 ILE 70 28.631 -0.556 -0.556 502 1HD1 ILE 70 HD12 ILE 70 26.064 -1.159 -1.159 503 2HD1 ILE 70 HD11 ILE 70 25.038 0.054 0.054 504 3HD1 ILE 70 HD13 ILE 70 24.380 -0.986 -0.986 505 H GLN 71 HN GLN 71 28.228 3.013 3.013 506 HA GLN 71 HA GLN 71 30.921 3.243 3.243 507 1HB GLN 71 HB2 GLN 71 28.869 5.060 5.060 508 2HB GLN 71 HB1 GLN 71 30.487 5.632 5.632 509 1HG GLN 71 HG2 GLN 71 29.338 4.195 4.195 510 2HG GLN 71 HG1 GLN 71 28.347 5.573 5.573 511 1HE2 GLN 71 HE22 GLN 71 31.412 7.742 7.742 512 2HE2 GLN 71 HE21 GLN 71 30.461 7.295 7.295 513 H ASP 72 HN ASP 72 29.426 4.313 4.313 514 HA ASP 72 HA ASP 72 31.727 4.636 4.636 515 1HB ASP 72 HB2 ASP 72 29.577 5.613 5.613 516 2HB ASP 72 HB1 ASP 72 28.895 4.011 4.011 517 H VAL 73 HN VAL 73 29.853 1.716 1.716 518 HA VAL 73 HA VAL 73 30.904 0.194 0.194 519 HB VAL 73 HB VAL 73 28.874 -0.454 -0.454 520 1HG1 VAL 73 HG13 VAL 73 30.311 -0.024 -0.024 521 2HG1 VAL 73 HG12 VAL 73 30.807 -1.699 -1.699 522 3HG1 VAL 73 HG11 VAL 73 29.102 -1.309 -1.309 523 1HG2 VAL 73 HG22 VAL 73 31.162 -2.319 -2.319 524 2HG2 VAL 73 HG21 VAL 73 29.655 -2.130 -2.130 525 3HG2 VAL 73 HG23 VAL 73 29.651 -2.925 -2.925 526 H ALA 74 HN ALA 74 32.068 1.051 1.051 527 HA ALA 74 HA ALA 74 34.196 -0.946 -0.946 528 1HB ALA 74 HB1 ALA 74 33.194 1.128 1.128 529 2HB ALA 74 HB3 ALA 74 34.944 1.261 1.261 530 3HB ALA 74 HB2 ALA 74 34.222 -0.249 -0.249 531 H ALA 75 HN ALA 75 34.048 2.581 2.581 532 HA ALA 75 HA ALA 75 36.682 2.885 2.885 533 1HB ALA 75 HB1 ALA 75 34.169 4.473 4.473 534 2HB ALA 75 HB3 ALA 75 35.232 4.859 4.859 535 3HB ALA 75 HB2 ALA 75 35.834 4.982 4.982 536 H TYR 76 HN TYR 76 33.747 1.554 1.554 537 HA TYR 76 HA TYR 76 34.106 1.850 1.850 538 1HB TYR 76 HB2 TYR 76 31.895 1.248 1.248 539 2HB TYR 76 HB1 TYR 76 32.588 -0.211 -0.211 540 HD1 TYR 76 HD1 TYR 76 31.838 1.444 1.444 541 HD2 TYR 76 HD2 TYR 76 32.935 -2.156 -2.156 542 HE1 TYR 76 HE1 TYR 76 31.420 0.253 0.253 543 HE2 TYR 76 HE2 TYR 76 32.531 -3.406 -3.406 544 HH TYR 76 HH TYR 76 31.797 -3.278 -3.278 545 H VAL 77 HN VAL 77 34.984 -0.614 -0.614 546 HA VAL 77 HA VAL 77 36.134 -2.393 -2.393 547 HB VAL 77 HB VAL 77 36.439 -2.137 -2.137 548 1HG1 VAL 77 HG13 VAL 77 37.837 -3.943 -3.943 549 2HG1 VAL 77 HG12 VAL 77 37.510 -4.495 -4.495 550 3HG1 VAL 77 HG11 VAL 77 38.515 -3.070 -3.070 551 1HG2 VAL 77 HG23 VAL 77 34.856 -3.818 -3.818 552 2HG2 VAL 77 HG22 VAL 77 34.367 -3.105 -3.105 553 3HG2 VAL 77 HG21 VAL 77 35.379 -4.548 -4.548 554 H LEU 78 HN LEU 78 37.170 0.491 0.491 555 HA LEU 78 HA LEU 78 40.018 -0.003 -0.003 556 1HB LEU 78 HB2 LEU 78 39.003 2.717 2.717 557 2HB LEU 78 HB1 LEU 78 40.469 1.893 1.893 558 HG LEU 78 HG LEU 78 37.636 1.348 1.348 559 1HD1 LEU 78 HD11 LEU 78 39.035 3.306 3.306 560 2HD1 LEU 78 HD13 LEU 78 40.065 2.066 2.066 561 3HD1 LEU 78 HD12 LEU 78 38.364 2.172 2.172 562 1HD2 LEU 78 HD21 LEU 78 39.253 -0.678 -0.678 563 2HD2 LEU 78 HD23 LEU 78 38.394 -0.537 -0.537 564 3HD2 LEU 78 HD22 LEU 78 40.084 -0.047 -0.047 565 H ASP 79 HN ASP 79 37.297 1.009 1.009 566 HA ASP 79 HA ASP 79 38.782 2.776 2.776 567 1HB ASP 79 HB2 ASP 79 36.326 3.062 3.062 568 2HB ASP 79 HB1 ASP 79 35.925 2.038 2.038 569 H GLN 80 HN GLN 80 37.110 -0.294 -0.294 570 HA GLN 80 HA GLN 80 37.408 -0.895 -0.895 571 1HB GLN 80 HB2 GLN 80 36.698 -2.734 -2.734 572 2HB GLN 80 HB1 GLN 80 36.316 -2.959 -2.959 573 1HG GLN 80 HG2 GLN 80 35.374 -0.416 -0.416 574 2HG GLN 80 HG1 GLN 80 34.615 -1.868 -1.868 575 1HE2 GLN 80 HE22 GLN 80 33.107 -0.573 -0.573 576 2HE2 GLN 80 HE21 GLN 80 33.776 0.352 0.352 577 H ALA 81 HN ALA 81 39.058 -1.704 -1.704 578 HA ALA 81 HA ALA 81 40.677 -3.831 -3.831 579 1HB ALA 81 HB2 ALA 81 41.292 -1.826 -1.826 580 2HB ALA 81 HB1 ALA 81 42.159 -3.336 -3.336 581 3HB ALA 81 HB3 ALA 81 40.466 -3.369 -3.369 582 H ALA 82 HN ALA 82 41.319 -0.340 -0.340 583 HA ALA 82 HA ALA 82 43.789 -0.627 -0.627 584 1HB ALA 82 HB3 ALA 82 42.408 1.647 1.647 585 2HB ALA 82 HB2 ALA 82 43.704 1.972 1.972 586 3HB ALA 82 HB1 ALA 82 44.022 0.995 0.995 587 H LYS 83 HN LYS 83 40.903 -1.018 -1.018 588 HA LYS 83 HA LYS 83 41.354 0.682 0.682 589 1HB LYS 83 HB2 LYS 83 39.609 1.792 1.792 590 2HB LYS 83 HB1 LYS 83 38.730 0.274 0.274 591 1HG LYS 83 HG2 LYS 83 37.843 0.414 0.414 592 2HG LYS 83 HG1 LYS 83 39.364 0.966 0.966 593 1HD LYS 83 HD2 LYS 83 37.692 2.777 2.777 594 2HD LYS 83 HD1 LYS 83 37.389 2.635 2.635 595 1HE LYS 83 HE2 LYS 83 38.992 4.205 4.205 596 2HE LYS 83 HE1 LYS 83 40.151 2.950 2.950 597 1HZ LYS 83 HZ1 LYS 83 39.031 3.902 3.902 598 2HZ LYS 83 HZ3 LYS 83 39.444 5.263 5.263 599 3HZ LYS 83 HZ2 LYS 83 40.626 4.102 4.102 600 H GLY 84 HN GLY 84 41.461 -2.360 -2.360 601 1HA GLY 84 HA2 GLY 84 41.316 -4.288 -4.288 602 2HA GLY 84 HA1 GLY 84 40.632 -3.279 -3.279 603 H TRP 85 HN TRP 85 39.899 -4.712 -4.712 604 HA TRP 85 HA TRP 85 37.222 -4.323 -4.323 605 1HB TRP 85 HB2 TRP 85 38.986 -6.685 -6.685 606 2HB TRP 85 HB1 TRP 85 37.263 -7.033 -7.033 607 HD1 TRP 85 HD1 TRP 85 39.923 -6.053 -6.053 608 HE1 TRP 85 HE1 TRP 85 38.935 -5.060 -5.060 609 HE3 TRP 85 HE3 TRP 85 35.149 -5.299 -5.299 610 HZ2 TRP 85 HZ2 TRP 85 36.424 -4.092 -4.092 611 HZ3 TRP 85 HZ3 TRP 85 33.471 -4.336 -4.336 612 HH2 TRP 85 HH2 TRP 85 34.084 -3.697 -3.697 613 H ALA 86 HN ALA 86 36.163 -3.859 -3.859 614 HA ALA 86 HA ALA 86 36.034 -5.491 -5.491 615 1HB ALA 86 HB1 ALA 86 34.932 -3.074 -3.074 616 2HB ALA 86 HB3 ALA 86 33.520 -4.116 -4.116 617 3HB ALA 86 HB2 ALA 86 34.629 -3.889 -3.889 618 H GLY 87 HN GLY 87 34.510 -5.844 -5.844 619 1HA GLY 87 HA2 GLY 87 32.902 -7.368 -7.368 620 2HA GLY 87 HA1 GLY 87 33.743 -8.491 -8.491 621 HHA HEC 88 HA HEM 88 36.096 -10.237 -10.237 622 HHB HEC 88 HB HEM 88 34.166 -5.742 -5.742 623 HHC HEC 88 HC HEM 88 28.509 -8.588 -8.588 624 HHD HEC 88 HD HEM 88 30.944 -13.619 -13.619 625 1HMA HEC 88 HMA1 HEM 88 36.859 -5.191 -5.191 626 2HMA HEC 88 HMA2 HEM 88 37.744 -6.441 -6.441 627 3HMA HEC 88 HMA3 HEM 88 36.295 -5.628 -5.628 628 1HAA HEC 88 HAA1 HEM 88 37.474 -7.183 -7.183 629 2HAA HEC 88 HAA2 HEM 88 37.420 -8.976 -8.976 630 1HBA HEC 88 HBA1 HEM 88 39.534 -8.547 -8.547 631 2HBA HEC 88 HBA2 HEM 88 39.004 -7.052 -7.052 632 1HMB HEC 88 HMB1 HEM 88 31.240 -4.105 -4.105 633 2HMB HEC 88 HMB2 HEM 88 32.125 -5.173 -5.173 634 3HMB HEC 88 HMB3 HEM 88 32.974 -4.523 -4.523 635 HAB HEC 88 HAB HEM 88 28.258 -6.708 -6.708 636 1HBB HEC 88 HBB1 HEM 88 29.384 -3.926 -3.926 637 2HBB HEC 88 HBB2 HEM 88 27.817 -4.658 -4.658 638 3HBB HEC 88 HBB3 HEM 88 29.353 -5.159 -5.159 639 1HMC HEC 88 HMC1 HEM 88 27.276 -11.374 -11.374 640 2HMC HEC 88 HMC2 HEM 88 26.490 -11.565 -11.565 641 3HMC HEC 88 HMC3 HEM 88 26.905 -9.917 -9.917 642 HAC HEC 88 HAC HEM 88 29.421 -14.197 -14.197 643 1HBC HEC 88 HBC1 HEM 88 27.501 -13.511 -13.511 644 2HBC HEC 88 HBC2 HEM 88 26.539 -13.150 -13.150 645 3HBC HEC 88 HBC3 HEM 88 27.037 -14.844 -14.844 646 1HMD HEC 88 HMD1 HEM 88 33.187 -14.575 -14.575 647 2HMD HEC 88 HMD2 HEM 88 33.874 -15.172 -15.172 648 3HMD HEC 88 HMD3 HEM 88 32.110 -14.801 -14.801 649 1HAD HEC 88 HAD1 HEM 88 35.936 -13.794 -13.794 650 2HAD HEC 88 HAD2 HEM 88 36.551 -12.089 -12.089 651 1HBD HEC 88 HBD1 HEM 88 35.626 -13.552 -13.552 652 2HBD HEC 88 HBD2 HEM 88 34.449 -12.212 -12.212 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 34.598 8.783 8.783 2 2H ALA 1 HT3 ALA 1 35.720 10.053 10.053 3 3H ALA 1 HT2 ALA 1 35.647 8.933 8.933 4 HA ALA 1 HA ALA 1 34.273 10.299 10.299 5 1HB ALA 1 HB3 ALA 1 35.132 11.871 11.871 6 2HB ALA 1 HB2 ALA 1 33.377 11.946 11.946 7 3HB ALA 1 HB1 ALA 1 34.148 12.434 12.434 8 H ASP 2 HN ASP 2 32.123 10.041 10.041 9 HA ASP 2 HA ASP 2 29.863 9.478 9.478 10 1HB ASP 2 HB2 ASP 2 30.289 9.433 9.433 11 2HB ASP 2 HB1 ASP 2 28.777 9.657 9.657 12 H LEU 3 HN LEU 3 32.464 7.607 7.607 13 HA LEU 3 HA LEU 3 31.058 5.334 5.334 14 1HB LEU 3 HB2 LEU 3 33.095 4.161 4.161 15 2HB LEU 3 HB1 LEU 3 33.594 5.839 5.839 16 HG LEU 3 HG LEU 3 33.593 5.893 5.893 17 1HD1 LEU 3 HD13 LEU 3 33.064 3.147 3.147 18 2HD1 LEU 3 HD12 LEU 3 34.599 3.258 3.258 19 3HD1 LEU 3 HD11 LEU 3 33.123 3.893 3.893 20 1HD2 LEU 3 HD21 LEU 3 35.538 5.596 5.596 21 2HD2 LEU 3 HD23 LEU 3 35.839 5.986 5.986 22 3HD2 LEU 3 HD22 LEU 3 35.905 4.310 4.310 23 H ALA 4 HN ALA 4 30.731 6.681 6.681 24 HA ALA 4 HA ALA 4 30.860 4.385 4.385 25 1HB ALA 4 HB2 ALA 4 29.767 7.136 7.136 26 2HB ALA 4 HB1 ALA 4 28.894 5.947 5.947 27 3HB ALA 4 HB3 ALA 4 30.618 6.208 6.208 28 H ASN 5 HN ASN 5 28.623 5.736 5.736 29 HA ASN 5 HA ASN 5 26.291 4.202 4.202 30 1HB ASN 5 HB2 ASN 5 27.149 6.041 6.041 31 2HB ASN 5 HB1 ASN 5 26.488 4.620 4.620 32 1HD2 ASN 5 HD22 ASN 5 23.942 6.474 6.474 33 2HD2 ASN 5 HD21 ASN 5 25.584 6.267 6.267 34 H GLY 6 HN GLY 6 29.279 3.522 3.522 35 1HA GLY 6 HA2 GLY 6 28.611 1.177 1.177 36 2HA GLY 6 HA1 GLY 6 30.211 1.537 1.537 37 H ALA 7 HN ALA 7 29.850 1.489 1.489 38 HA ALA 7 HA ALA 7 29.896 -1.185 -1.185 39 1HB ALA 7 HB2 ALA 7 29.831 1.302 1.302 40 2HB ALA 7 HB1 ALA 7 28.646 0.237 0.237 41 3HB ALA 7 HB3 ALA 7 30.328 -0.277 -0.277 42 H LYS 8 HN LYS 8 27.112 0.759 0.759 43 HA LYS 8 HA LYS 8 25.226 -1.120 -1.120 44 1HB LYS 8 HB2 LYS 8 24.161 0.925 0.925 45 2HB LYS 8 HB1 LYS 8 25.052 1.324 1.324 46 1HG LYS 8 HG2 LYS 8 23.235 -0.995 -0.995 47 2HG LYS 8 HG1 LYS 8 22.421 0.536 0.536 48 1HD LYS 8 HD2 LYS 8 24.326 -0.090 -0.090 49 2HD LYS 8 HD1 LYS 8 22.616 0.315 0.315 50 1HE LYS 8 HE2 LYS 8 23.851 2.401 2.401 51 2HE LYS 8 HE1 LYS 8 24.876 2.083 2.083 52 1HZ LYS 8 HZ3 LYS 8 22.652 2.070 2.070 53 2HZ LYS 8 HZ2 LYS 8 22.043 2.896 2.896 54 3HZ LYS 8 HZ1 LYS 8 23.319 3.561 3.561 55 H VAL 9 HN VAL 9 26.444 -0.329 -0.329 56 HA VAL 9 HA VAL 9 25.148 -2.319 -2.319 57 HB VAL 9 HB VAL 9 28.022 -1.421 -1.421 58 1HG1 VAL 9 HG11 VAL 9 25.885 -2.382 -2.382 59 2HG1 VAL 9 HG13 VAL 9 27.468 -1.771 -1.771 60 3HG1 VAL 9 HG12 VAL 9 27.345 -3.256 -3.256 61 1HG2 VAL 9 HG21 VAL 9 25.421 -0.099 -0.099 62 2HG2 VAL 9 HG23 VAL 9 26.703 0.572 0.572 63 3HG2 VAL 9 HG22 VAL 9 26.961 0.355 0.355 64 H PHE 10 HN PHE 10 28.494 -2.453 -2.453 65 HA PHE 10 HA PHE 10 28.842 -5.209 -5.209 66 1HB PHE 10 HB2 PHE 10 30.668 -3.547 -3.547 67 2HB PHE 10 HB1 PHE 10 30.211 -3.510 -3.510 68 HD1 PHE 10 HD1 PHE 10 30.000 -5.760 -5.760 69 HD2 PHE 10 HD2 PHE 10 32.188 -5.201 -5.201 70 HE1 PHE 10 HE1 PHE 10 31.205 -7.835 -7.835 71 HE2 PHE 10 HE2 PHE 10 33.421 -7.313 -7.313 72 HZ PHE 10 HZ PHE 10 32.932 -8.643 -8.643 73 H SER 11 HN SER 11 27.458 -3.543 -3.543 74 HA SER 11 HA SER 11 27.397 -6.037 -6.037 75 1HB SER 11 HB2 SER 11 26.580 -4.729 -4.729 76 2HB SER 11 HB1 SER 11 27.746 -3.685 -3.685 77 HG SER 11 HG SER 11 25.235 -3.170 -3.170 78 H GLY 12 HN GLY 12 25.799 -5.462 -5.462 79 1HA GLY 12 HA2 GLY 12 23.378 -6.762 -6.762 80 2HA GLY 12 HA1 GLY 12 23.117 -5.169 -5.169 81 H ASN 13 HN ASN 13 25.727 -6.595 -6.595 82 HA ASN 13 HA ASN 13 24.113 -8.186 -8.186 83 1HB ASN 13 HB2 ASN 13 25.637 -5.917 -5.917 84 2HB ASN 13 HB1 ASN 13 24.231 -6.785 -6.785 85 1HD2 ASN 13 HD22 ASN 13 23.699 -3.419 -3.419 86 2HD2 ASN 13 HD21 ASN 13 25.228 -3.950 -3.950 87 H CYS 14 HN CYS 14 27.222 -6.495 -6.495 88 HA CYS 14 HA CYS 14 28.714 -8.460 -8.460 89 1HB CYS 14 HB2 CYS 14 29.942 -6.640 -6.640 90 2HB CYS 14 HB1 CYS 14 30.605 -7.156 -7.156 91 H ALA 15 HN ALA 15 27.947 -7.985 -7.985 92 HA ALA 15 HA ALA 15 29.663 -9.689 -9.689 93 1HB ALA 15 HB1 ALA 15 26.754 -9.066 -9.066 94 2HB ALA 15 HB3 ALA 15 27.476 -10.322 -10.322 95 3HB ALA 15 HB2 ALA 15 28.107 -8.677 -8.677 96 H ALA 16 HN ALA 16 26.786 -10.652 -10.652 97 HA ALA 16 HA ALA 16 26.775 -13.403 -13.403 98 1HB ALA 16 HB1 ALA 16 25.105 -11.973 -11.973 99 2HB ALA 16 HB3 ALA 16 26.121 -12.400 -12.400 100 3HB ALA 16 HB2 ALA 16 25.325 -13.665 -13.665 101 H CYS 17 HN CYS 17 28.440 -11.820 -11.820 102 HA CYS 17 HA CYS 17 29.900 -14.368 -14.368 103 1HB CYS 17 HB2 CYS 17 29.558 -11.927 -11.927 104 2HB CYS 17 HB1 CYS 17 30.531 -13.314 -13.314 105 H HIS 18 HN HIS 18 30.491 -12.360 -12.360 106 HA HIS 18 HA HIS 18 33.369 -12.221 -12.221 107 1HB HIS 18 HB2 HIS 18 31.619 -9.756 -9.756 108 2HB HIS 18 HB1 HIS 18 33.342 -9.709 -9.709 109 HD1 HIS 18 HD1 HIS 18 34.967 -10.378 -10.378 110 HD2 HIS 18 HD2 HIS 18 30.994 -10.026 -10.026 111 HE1 HIS 18 HE1 HIS 18 34.982 -10.319 -10.319 112 H MET 19 HN MET 19 31.077 -10.422 -10.422 113 HA MET 19 HA MET 19 30.939 -10.229 -10.229 114 1HB MET 19 HB2 MET 19 30.943 -12.944 -12.944 115 2HB MET 19 HB1 MET 19 32.080 -12.771 -12.771 116 1HG MET 19 HG2 MET 19 30.341 -12.624 -12.624 117 2HG MET 19 HG1 MET 19 29.867 -11.120 -11.120 118 1HE MET 19 HE2 MET 19 29.891 -14.878 -14.878 119 2HE MET 19 HE1 MET 19 28.573 -14.521 -14.521 120 3HE MET 19 HE3 MET 19 28.244 -15.337 -15.337 121 H GLY 20 HN GLY 20 32.364 -8.877 -8.877 122 1HA GLY 20 HA2 GLY 20 34.457 -7.973 -7.973 123 2HA GLY 20 HA1 GLY 20 34.629 -9.557 -9.557 124 H GLY 21 HN GLY 21 34.821 -8.191 -8.191 125 1HA GLY 21 HA2 GLY 21 36.251 -8.787 -8.787 126 2HA GLY 21 HA1 GLY 21 37.496 -8.633 -8.633 127 H GLY 22 HN GLY 22 35.188 -10.946 -10.946 128 1HA GLY 22 HA2 GLY 22 37.161 -13.087 -13.087 129 2HA GLY 22 HA1 GLY 22 35.754 -13.287 -13.287 130 H ASN 23 HN ASN 23 36.783 -13.012 -13.012 131 HA ASN 23 HA ASN 23 34.457 -13.214 -13.214 132 1HB ASN 23 HB2 ASN 23 37.101 -13.660 -13.660 133 2HB ASN 23 HB1 ASN 23 36.429 -15.280 -15.280 134 1HD2 ASN 23 HD22 ASN 23 36.070 -13.220 -13.220 135 2HD2 ASN 23 HD21 ASN 23 37.406 -13.512 -13.512 136 H VAL 24 HN VAL 24 33.245 -15.125 -15.125 137 HA VAL 24 HA VAL 24 33.095 -17.274 -17.274 138 HB VAL 24 HB VAL 24 31.102 -15.782 -15.782 139 1HG1 VAL 24 HG12 VAL 24 31.363 -15.305 -15.305 140 2HG1 VAL 24 HG11 VAL 24 30.761 -16.932 -16.932 141 3HG1 VAL 24 HG13 VAL 24 29.723 -15.748 -15.748 142 1HG2 VAL 24 HG23 VAL 24 30.749 -18.628 -18.628 143 2HG2 VAL 24 HG22 VAL 24 30.790 -18.085 -18.085 144 3HG2 VAL 24 HG21 VAL 24 29.441 -17.631 -17.631 145 H VAL 25 HN VAL 25 32.617 -16.630 -16.630 146 HA VAL 25 HA VAL 25 32.840 -19.534 -19.534 147 HB VAL 25 HB VAL 25 31.033 -18.302 -18.302 148 1HG1 VAL 25 HG11 VAL 25 32.824 -16.255 -16.255 149 2HG1 VAL 25 HG13 VAL 25 32.824 -16.900 -16.900 150 3HG1 VAL 25 HG12 VAL 25 31.315 -16.361 -16.361 151 1HG2 VAL 25 HG22 VAL 25 32.267 -20.257 -20.257 152 2HG2 VAL 25 HG21 VAL 25 31.348 -19.220 -19.220 153 3HG2 VAL 25 HG23 VAL 25 33.099 -19.053 -19.053 154 H MET 26 HN MET 26 34.574 -16.503 -16.503 155 HA MET 26 HA MET 26 36.659 -18.124 -18.124 156 1HB MET 26 HB2 MET 26 35.972 -15.209 -15.209 157 2HB MET 26 HB1 MET 26 37.634 -15.676 -15.676 158 1HG MET 26 HG2 MET 26 35.934 -17.378 -17.378 159 2HG MET 26 HG1 MET 26 35.332 -15.735 -15.735 160 1HE MET 26 HE3 MET 26 36.392 -17.657 -17.657 161 2HE MET 26 HE2 MET 26 37.990 -17.349 -17.349 162 3HE MET 26 HE1 MET 26 37.832 -18.307 -18.307 163 H ALA 27 HN ALA 27 38.247 -18.918 -18.918 164 HA ALA 27 HA ALA 27 38.809 -17.611 -17.611 165 1HB ALA 27 HB2 ALA 27 38.848 -20.264 -20.264 166 2HB ALA 27 HB1 ALA 27 40.547 -19.843 -19.843 167 3HB ALA 27 HB3 ALA 27 39.424 -19.675 -19.675 168 H ASN 28 HN ASN 28 39.672 -15.687 -15.687 169 HA ASN 28 HA ASN 28 42.476 -15.557 -15.557 170 1HB ASN 28 HB2 ASN 28 43.234 -15.644 -15.644 171 2HB ASN 28 HB1 ASN 28 42.260 -17.097 -17.097 172 1HD2 ASN 28 HD22 ASN 28 39.472 -15.739 -15.739 173 2HD2 ASN 28 HD21 ASN 28 39.751 -16.604 -16.604 174 H LYS 29 HN LYS 29 39.591 -14.394 -14.394 175 HA LYS 29 HA LYS 29 40.706 -11.652 -11.652 176 1HB LYS 29 HB2 LYS 29 38.548 -13.108 -13.108 177 2HB LYS 29 HB1 LYS 29 38.120 -11.460 -11.460 178 1HG LYS 29 HG2 LYS 29 40.008 -10.553 -10.553 179 2HG LYS 29 HG1 LYS 29 40.693 -12.159 -12.159 180 1HD LYS 29 HD2 LYS 29 37.985 -11.350 -11.350 181 2HD LYS 29 HD1 LYS 29 39.473 -11.153 -11.153 182 1HE LYS 29 HE2 LYS 29 38.898 -13.818 -13.818 183 2HE LYS 29 HE1 LYS 29 38.031 -13.368 -13.368 184 1HZ LYS 29 HZ3 LYS 29 40.939 -12.988 -12.988 185 2HZ LYS 29 HZ2 LYS 29 40.328 -14.554 -14.554 186 3HZ LYS 29 HZ1 LYS 29 39.945 -13.309 -13.309 187 H THR 30 HN THR 30 40.615 -12.094 -12.094 188 HA THR 30 HA THR 30 37.966 -11.620 -11.620 189 HB THR 30 HB THR 30 40.619 -11.500 -11.500 190 HG1 THR 30 HG1 THR 30 40.781 -13.427 -13.427 191 1HG2 THR 30 HG21 THR 30 37.801 -11.543 -11.543 192 2HG2 THR 30 HG23 THR 30 38.683 -12.865 -12.865 193 3HG2 THR 30 HG22 THR 30 39.204 -11.198 -11.198 194 H LEU 31 HN LEU 31 37.742 -9.743 -9.743 195 HA LEU 31 HA LEU 31 38.785 -7.291 -7.291 196 1HB LEU 31 HB2 LEU 31 36.924 -7.214 -7.214 197 2HB LEU 31 HB1 LEU 31 37.018 -6.141 -6.141 198 HG LEU 31 HG LEU 31 35.702 -8.832 -8.832 199 1HD1 LEU 31 HD13 LEU 31 34.874 -6.141 -6.141 200 2HD1 LEU 31 HD12 LEU 31 34.548 -6.903 -6.903 201 3HD1 LEU 31 HD11 LEU 31 33.860 -7.582 -7.582 202 1HD2 LEU 31 HD22 LEU 31 37.213 -7.758 -7.758 203 2HD2 LEU 31 HD21 LEU 31 36.785 -9.426 -9.426 204 3HD2 LEU 31 HD23 LEU 31 35.591 -8.356 -8.356 205 H LYS 32 HN LYS 32 39.456 -9.310 -9.310 206 HA LYS 32 HA LYS 32 40.139 -7.826 -7.826 207 1HB LYS 32 HB2 LYS 32 41.155 -10.240 -10.240 208 2HB LYS 32 HB1 LYS 32 42.485 -9.327 -9.327 209 1HG LYS 32 HG2 LYS 32 41.824 -9.923 -9.923 210 2HG LYS 32 HG1 LYS 32 40.230 -9.222 -9.222 211 1HD LYS 32 HD2 LYS 32 39.740 -11.485 -11.485 212 2HD LYS 32 HD1 LYS 32 39.790 -11.399 -11.399 213 1HE LYS 32 HE2 LYS 32 42.455 -11.837 -11.837 214 2HE LYS 32 HE1 LYS 32 41.443 -12.961 -12.961 215 1HZ LYS 32 HZ3 LYS 32 40.378 -13.490 -13.490 216 2HZ LYS 32 HZ2 LYS 32 41.678 -12.666 -12.666 217 3HZ LYS 32 HZ1 LYS 32 41.965 -14.049 -14.049 218 H LYS 33 HN LYS 33 42.981 -8.454 -8.454 219 HA LYS 33 HA LYS 33 43.458 -5.624 -5.624 220 1HB LYS 33 HB2 LYS 33 45.321 -5.304 -5.304 221 2HB LYS 33 HB1 LYS 33 43.969 -5.879 -5.879 222 1HG LYS 33 HG2 LYS 33 44.892 -8.225 -8.225 223 2HG LYS 33 HG1 LYS 33 46.332 -7.487 -7.487 224 1HD LYS 33 HD2 LYS 33 45.281 -6.691 -6.691 225 2HD LYS 33 HD1 LYS 33 46.454 -7.990 -7.990 226 1HE LYS 33 HE2 LYS 33 48.099 -6.455 -6.455 227 2HE LYS 33 HE1 LYS 33 47.362 -5.773 -5.773 228 1HZ LYS 33 HZ1 LYS 33 46.048 -5.056 -5.056 229 2HZ LYS 33 HZ3 LYS 33 47.632 -4.468 -4.468 230 3HZ LYS 33 HZ2 LYS 33 46.479 -4.086 -4.086 231 H GLU 34 HN GLU 34 44.969 -8.814 -8.814 232 HA GLU 34 HA GLU 34 47.149 -8.317 -8.317 233 1HB GLU 34 HB2 GLU 34 45.873 -10.786 -10.786 234 2HB GLU 34 HB1 GLU 34 47.103 -10.931 -10.931 235 1HG GLU 34 HG2 GLU 34 48.053 -9.027 -9.027 236 2HG GLU 34 HG1 GLU 34 47.469 -10.424 -10.424 237 H ALA 35 HN ALA 35 44.039 -9.975 -9.975 238 HA ALA 35 HA ALA 35 44.571 -10.582 -10.582 239 1HB ALA 35 HB2 ALA 35 41.957 -10.252 -10.252 240 2HB ALA 35 HB1 ALA 35 42.079 -10.865 -10.865 241 3HB ALA 35 HB3 ALA 35 42.815 -11.759 -11.759 242 H LEU 36 HN LEU 36 42.798 -7.872 -7.872 243 HA LEU 36 HA LEU 36 42.050 -6.652 -6.652 244 1HB LEU 36 HB2 LEU 36 41.904 -4.522 -4.522 245 2HB LEU 36 HB1 LEU 36 40.928 -5.883 -5.883 246 HG LEU 36 HG LEU 36 43.670 -5.739 -5.739 247 1HD1 LEU 36 HD12 LEU 36 42.415 -3.363 -3.363 248 2HD1 LEU 36 HD11 LEU 36 41.625 -4.042 -4.042 249 3HD1 LEU 36 HD13 LEU 36 43.379 -3.872 -3.872 250 1HD2 LEU 36 HD22 LEU 36 41.021 -6.818 -6.818 251 2HD2 LEU 36 HD21 LEU 36 42.598 -7.334 -7.334 252 3HD2 LEU 36 HD23 LEU 36 41.742 -6.009 -6.009 253 H GLU 37 HN GLU 37 44.989 -6.360 -6.360 254 HA GLU 37 HA GLU 37 46.026 -4.359 -4.359 255 1HB GLU 37 HB2 GLU 37 47.410 -5.605 -5.605 256 2HB GLU 37 HB1 GLU 37 47.864 -4.118 -4.118 257 1HG GLU 37 HG2 GLU 37 46.152 -2.902 -2.902 258 2HG GLU 37 HG1 GLU 37 45.067 -4.294 -4.294 259 H GLN 38 HN GLN 38 45.663 -7.550 -7.550 260 HA GLN 38 HA GLN 38 48.337 -8.249 -8.249 261 1HB GLN 38 HB2 GLN 38 47.333 -10.033 -10.033 262 2HB GLN 38 HB1 GLN 38 45.755 -9.735 -9.735 263 1HG GLN 38 HG2 GLN 38 46.950 -11.757 -11.757 264 2HG GLN 38 HG1 GLN 38 46.501 -10.554 -10.554 265 1HE2 GLN 38 HE22 GLN 38 50.393 -9.994 -9.994 266 2HE2 GLN 38 HE21 GLN 38 49.145 -9.828 -9.828 267 H PHE 39 HN PHE 39 45.008 -8.278 -8.278 268 HA PHE 39 HA PHE 39 46.032 -8.265 -8.265 269 1HB PHE 39 HB2 PHE 39 43.365 -8.060 -8.060 270 2HB PHE 39 HB1 PHE 39 44.200 -9.589 -9.589 271 HD1 PHE 39 HD1 PHE 39 42.304 -6.921 -6.921 272 HD2 PHE 39 HD2 PHE 39 43.808 -10.944 -10.944 273 HE1 PHE 39 HE1 PHE 39 40.962 -7.380 -7.380 274 HE2 PHE 39 HE2 PHE 39 42.457 -11.400 -11.400 275 HZ PHE 39 HZ PHE 39 41.033 -9.615 -9.615 276 H GLY 40 HN GLY 40 43.907 -6.158 -6.158 277 1HA GLY 40 HA2 GLY 40 44.811 -3.708 -3.708 278 2HA GLY 40 HA1 GLY 40 44.381 -4.017 -4.017 279 H MET 41 HN MET 41 42.463 -5.152 -5.152 280 HA MET 41 HA MET 41 40.151 -3.687 -3.687 281 1HB MET 41 HB2 MET 41 38.801 -5.000 -5.000 282 2HB MET 41 HB1 MET 41 40.129 -6.092 -6.092 283 1HG MET 41 HG2 MET 41 40.099 -6.322 -6.322 284 2HG MET 41 HG1 MET 41 41.223 -4.974 -4.974 285 1HE MET 41 HE3 MET 41 39.005 -6.442 -6.442 286 2HE MET 41 HE2 MET 41 39.205 -5.189 -5.189 287 3HE MET 41 HE1 MET 41 37.622 -5.456 -5.456 288 H TYR 42 HN TYR 42 42.450 -3.478 -3.478 289 HA TYR 42 HA TYR 42 41.340 -1.961 -1.961 290 1HB TYR 42 HB2 TYR 42 43.776 -2.667 -2.667 291 2HB TYR 42 HB1 TYR 42 43.963 -1.202 -1.202 292 HD1 TYR 42 HD1 TYR 42 43.086 1.026 1.026 293 HD2 TYR 42 HD2 TYR 42 44.142 -2.546 -2.546 294 HE1 TYR 42 HE1 TYR 42 43.386 2.353 2.353 295 HE2 TYR 42 HE2 TYR 42 44.436 -1.223 -1.223 296 HH TYR 42 HH TYR 42 44.571 2.191 2.191 297 H SER 43 HN SER 43 41.763 -0.948 -0.948 298 HA SER 43 HA SER 43 41.412 1.891 1.891 299 1HB SER 43 HB2 SER 43 41.727 2.297 2.297 300 2HB SER 43 HB1 SER 43 42.739 0.881 0.881 301 HG SER 43 HG SER 43 40.586 1.136 1.136 302 H GLU 44 HN GLU 44 39.506 2.993 2.993 303 HA GLU 44 HA GLU 44 37.010 1.786 1.786 304 1HB GLU 44 HB2 GLU 44 37.988 4.501 4.501 305 2HB GLU 44 HB1 GLU 44 36.350 4.171 4.171 306 1HG GLU 44 HG2 GLU 44 36.139 3.092 3.092 307 2HG GLU 44 HG1 GLU 44 37.413 4.260 4.260 308 H ASP 45 HN ASP 45 38.289 3.272 3.272 309 HA ASP 45 HA ASP 45 36.170 2.556 2.556 310 1HB ASP 45 HB2 ASP 45 38.024 3.975 3.975 311 2HB ASP 45 HB1 ASP 45 39.076 2.566 2.566 312 H ALA 46 HN ALA 46 38.797 0.522 0.522 313 HA ALA 46 HA ALA 46 38.339 -1.679 -1.679 314 1HB ALA 46 HB2 ALA 46 40.421 -1.378 -1.378 315 2HB ALA 46 HB1 ALA 46 39.516 -1.737 -1.737 316 3HB ALA 46 HB3 ALA 46 39.708 -2.974 -2.974 317 H ILE 47 HN ILE 47 37.682 -1.705 -1.705 318 HA ILE 47 HA ILE 47 35.837 -3.895 -3.895 319 HB ILE 47 HB ILE 47 37.077 -3.332 -3.332 320 1HG1 ILE 47 HG12 ILE 47 34.084 -3.038 -3.038 321 2HG1 ILE 47 HG11 ILE 47 34.956 -4.566 -4.566 322 1HG2 ILE 47 HG23 ILE 47 36.166 -0.731 -0.731 323 2HG2 ILE 47 HG22 ILE 47 35.394 -1.218 -1.218 324 3HG2 ILE 47 HG21 ILE 47 37.151 -1.252 -1.252 325 1HD1 ILE 47 HD12 ILE 47 36.384 -3.220 -3.220 326 2HD1 ILE 47 HD11 ILE 47 34.759 -2.593 -2.593 327 3HD1 ILE 47 HD13 ILE 47 35.059 -4.327 -4.327 328 H ILE 48 HN ILE 48 35.504 -0.545 -0.545 329 HA ILE 48 HA ILE 48 32.673 -0.293 -0.293 330 HB ILE 48 HB ILE 48 34.663 1.307 1.307 331 1HG1 ILE 48 HG12 ILE 48 32.874 1.998 1.998 332 2HG1 ILE 48 HG11 ILE 48 34.583 1.598 1.598 333 1HG2 ILE 48 HG21 ILE 48 31.747 1.252 1.252 334 2HG2 ILE 48 HG23 ILE 48 32.399 2.852 2.852 335 3HG2 ILE 48 HG22 ILE 48 32.972 1.959 1.959 336 1HD1 ILE 48 HD12 ILE 48 33.439 3.912 3.912 337 2HD1 ILE 48 HD11 ILE 48 34.215 4.051 4.051 338 3HD1 ILE 48 HD13 ILE 48 35.151 3.525 3.525 339 H TYR 49 HN TYR 49 34.654 -1.541 -1.541 340 HA TYR 49 HA TYR 49 32.457 -1.710 -1.710 341 1HB TYR 49 HB2 TYR 49 34.668 -1.280 -1.280 342 2HB TYR 49 HB1 TYR 49 35.324 -2.692 -2.692 343 HD1 TYR 49 HD1 TYR 49 32.597 -1.770 -1.770 344 HD2 TYR 49 HD2 TYR 49 35.487 -4.700 -4.700 345 HE1 TYR 49 HE1 TYR 49 31.990 -3.183 -3.183 346 HE2 TYR 49 HE2 TYR 49 34.879 -6.113 -6.113 347 HH TYR 49 HH TYR 49 32.112 -5.445 -5.445 348 H GLN 50 HN GLN 50 34.705 -4.255 -4.255 349 HA GLN 50 HA GLN 50 33.120 -6.432 -6.432 350 1HB GLN 50 HB2 GLN 50 33.991 -7.506 -7.506 351 2HB GLN 50 HB1 GLN 50 35.152 -7.070 -7.070 352 1HG GLN 50 HG2 GLN 50 34.497 -4.955 -4.955 353 2HG GLN 50 HG1 GLN 50 35.367 -6.334 -6.334 354 1HE2 GLN 50 HE22 GLN 50 37.448 -4.944 -4.944 355 2HE2 GLN 50 HE21 GLN 50 35.912 -5.638 -5.638 356 H VAL 51 HN VAL 51 32.503 -4.034 -4.034 357 HA VAL 51 HA VAL 51 30.360 -5.542 -5.542 358 HB VAL 51 HB VAL 51 31.194 -2.632 -2.632 359 1HG1 VAL 51 HG13 VAL 51 28.708 -3.027 -3.027 360 2HG1 VAL 51 HG12 VAL 51 29.147 -3.992 -3.992 361 3HG1 VAL 51 HG11 VAL 51 29.552 -2.277 -2.277 362 1HG2 VAL 51 HG22 VAL 51 32.475 -4.688 -4.688 363 2HG2 VAL 51 HG21 VAL 51 32.300 -3.148 -3.148 364 3HG2 VAL 51 HG23 VAL 51 31.216 -4.487 -4.487 365 H GLN 52 HN GLN 52 30.630 -2.827 -2.827 366 HA GLN 52 HA GLN 52 27.844 -2.390 -2.390 367 1HB GLN 52 HB2 GLN 52 30.312 -1.450 -1.450 368 2HB GLN 52 HB1 GLN 52 29.083 -1.663 -1.663 369 1HG GLN 52 HG2 GLN 52 27.854 0.080 0.080 370 2HG GLN 52 HG1 GLN 52 28.009 -0.455 -0.455 371 1HE2 GLN 52 HE22 GLN 52 31.305 1.626 1.626 372 2HE2 GLN 52 HE21 GLN 52 30.787 0.260 0.260 373 H HIS 53 HN HIS 53 29.796 -4.980 -4.980 374 HA HIS 53 HA HIS 53 27.511 -5.858 -5.858 375 1HB HIS 53 HB2 HIS 53 30.043 -6.079 -6.079 376 2HB HIS 53 HB1 HIS 53 28.442 -5.787 -5.787 377 HD1 HIS 53 HD1 HIS 53 28.044 -3.454 -3.454 378 HD2 HIS 53 HD2 HIS 53 31.108 -3.565 -3.565 379 HE1 HIS 53 HE1 HIS 53 28.993 -1.107 -1.107 380 H GLY 54 HN GLY 54 29.345 -6.583 -6.583 381 1HA GLY 54 HA2 GLY 54 30.294 -8.582 -8.582 382 2HA GLY 54 HA1 GLY 54 29.260 -9.380 -9.380 383 H LYS 55 HN LYS 55 30.690 -10.726 -10.726 384 HA LYS 55 HA LYS 55 32.206 -10.379 -10.379 385 1HB LYS 55 HB2 LYS 55 33.582 -9.112 -9.112 386 2HB LYS 55 HB1 LYS 55 34.564 -10.354 -10.354 387 1HG LYS 55 HG2 LYS 55 34.640 -7.900 -7.900 388 2HG LYS 55 HG1 LYS 55 34.608 -9.270 -9.270 389 1HD LYS 55 HD2 LYS 55 31.893 -8.569 -8.569 390 2HD LYS 55 HD1 LYS 55 32.759 -7.091 -7.091 391 1HE LYS 55 HE2 LYS 55 32.860 -7.658 -7.658 392 2HE LYS 55 HE1 LYS 55 33.523 -9.244 -9.244 393 1HZ LYS 55 HZ3 LYS 55 30.650 -8.501 -8.501 394 2HZ LYS 55 HZ2 LYS 55 31.392 -9.425 -9.425 395 3HZ LYS 55 HZ1 LYS 55 31.290 -10.028 -10.028 396 H ASN 56 HN ASN 56 32.859 -12.394 -12.394 397 HA ASN 56 HA ASN 56 33.285 -14.691 -14.691 398 1HB ASN 56 HB2 ASN 56 34.402 -13.757 -13.757 399 2HB ASN 56 HB1 ASN 56 34.505 -15.433 -15.433 400 1HD2 ASN 56 HD22 ASN 56 36.721 -12.562 -12.562 401 2HD2 ASN 56 HD21 ASN 56 35.366 -12.091 -12.091 402 H ALA 57 HN ALA 57 32.777 -14.410 -14.410 403 HA ALA 57 HA ALA 57 30.036 -15.561 -15.561 404 1HB ALA 57 HB2 ALA 57 32.336 -16.518 -16.518 405 2HB ALA 57 HB1 ALA 57 30.680 -16.805 -16.805 406 3HB ALA 57 HB3 ALA 57 31.239 -17.458 -17.458 407 H MET 58 HN MET 58 30.571 -12.833 -12.833 408 HA MET 58 HA MET 58 29.836 -12.400 -12.400 409 1HB MET 58 HB2 MET 58 32.049 -11.502 -11.502 410 2HB MET 58 HB1 MET 58 31.169 -10.448 -10.448 411 1HG MET 58 HG2 MET 58 30.046 -9.368 -9.368 412 2HG MET 58 HG1 MET 58 30.816 -10.483 -10.483 413 1HE MET 58 HE2 MET 58 30.544 -7.419 -7.419 414 2HE MET 58 HE1 MET 58 31.568 -7.597 -7.597 415 3HE MET 58 HE3 MET 58 32.087 -6.568 -6.568 416 HA PRO 59 HA PRO 59 26.006 -10.844 -10.844 417 1HB PRO 59 HB2 PRO 59 25.202 -9.602 -9.602 418 2HB PRO 59 HB1 PRO 59 25.163 -11.352 -11.352 419 1HG PRO 59 HG2 PRO 59 27.011 -9.712 -9.712 420 2HG PRO 59 HG1 PRO 59 26.592 -11.421 -11.421 421 1HD PRO 59 HD2 PRO 59 28.962 -10.342 -10.342 422 2HD PRO 59 HD1 PRO 59 28.458 -12.042 -12.042 423 H ALA 60 HN ALA 60 26.353 -9.158 -9.158 424 HA ALA 60 HA ALA 60 27.420 -6.652 -6.652 425 1HB ALA 60 HB3 ALA 60 24.743 -7.407 -7.407 426 2HB ALA 60 HB2 ALA 60 25.615 -5.916 -5.916 427 3HB ALA 60 HB1 ALA 60 26.308 -7.474 -7.474 428 H PHE 61 HN PHE 61 26.570 -4.556 -4.556 429 HA PHE 61 HA PHE 61 24.270 -4.517 -4.517 430 1HB PHE 61 HB2 PHE 61 27.033 -3.437 -3.437 431 2HB PHE 61 HB1 PHE 61 25.614 -2.872 -2.872 432 HD1 PHE 61 HD1 PHE 61 23.999 -4.955 -4.955 433 HD2 PHE 61 HD2 PHE 61 28.254 -5.095 -5.095 434 HE1 PHE 61 HE1 PHE 61 24.110 -6.915 -6.915 435 HE2 PHE 61 HE2 PHE 61 28.372 -7.043 -7.043 436 HZ PHE 61 HZ PHE 61 26.312 -7.948 -7.948 437 H ALA 62 HN ALA 62 25.550 -3.393 -3.393 438 HA ALA 62 HA ALA 62 25.518 -0.648 -0.648 439 1HB ALA 62 HB3 ALA 62 25.208 -2.714 -2.714 440 2HB ALA 62 HB2 ALA 62 23.881 -1.586 -1.586 441 3HB ALA 62 HB1 ALA 62 25.548 -1.012 -1.012 442 H GLY 63 HN GLY 63 22.800 -2.768 -2.768 443 1HA GLY 63 HA2 GLY 63 21.237 -0.480 -0.480 444 2HA GLY 63 HA1 GLY 63 20.586 -1.209 -1.209 445 H ARG 64 HN ARG 64 22.243 -2.946 -2.946 446 HA ARG 64 HA ARG 64 19.737 -4.490 -4.490 447 1HB ARG 64 HB2 ARG 64 22.169 -5.447 -5.447 448 2HB ARG 64 HB1 ARG 64 22.385 -5.256 -5.256 449 1HG ARG 64 HG2 ARG 64 20.169 -6.519 -6.519 450 2HG ARG 64 HG1 ARG 64 20.360 -6.957 -6.957 451 1HD ARG 64 HD2 ARG 64 22.759 -7.657 -7.657 452 2HD ARG 64 HD1 ARG 64 22.142 -7.634 -7.634 453 HE ARG 64 HE ARG 64 21.353 -9.781 -9.781 454 1HH1 ARG 64 HH11 ARG 64 22.105 -8.677 -8.677 455 2HH1 ARG 64 HH12 ARG 64 20.712 -9.298 -9.298 456 1HH2 ARG 64 HH21 ARG 64 19.029 -10.126 -10.126 457 2HH2 ARG 64 HH22 ARG 64 18.973 -10.121 -10.121 458 H LEU 65 HN LEU 65 22.494 -2.910 -2.910 459 HA LEU 65 HA LEU 65 20.959 -2.576 -2.576 460 1HB LEU 65 HB2 LEU 65 23.911 -2.208 -2.208 461 2HB LEU 65 HB1 LEU 65 23.144 -2.035 -2.035 462 HG LEU 65 HG LEU 65 23.022 -4.579 -4.579 463 1HD1 LEU 65 HD13 LEU 65 24.882 -3.800 -3.800 464 2HD1 LEU 65 HD12 LEU 65 24.732 -5.427 -5.427 465 3HD1 LEU 65 HD11 LEU 65 25.355 -4.120 -4.120 466 1HD2 LEU 65 HD22 LEU 65 22.426 -3.938 -3.938 467 2HD2 LEU 65 HD21 LEU 65 21.230 -4.288 -4.288 468 3HD2 LEU 65 HD23 LEU 65 22.349 -5.546 -5.546 469 H THR 66 HN THR 66 22.807 -0.304 -0.304 470 HA THR 66 HA THR 66 21.284 1.755 1.755 471 HB THR 66 HB THR 66 23.110 2.228 2.228 472 HG1 THR 66 HG1 THR 66 21.011 2.178 2.178 473 1HG2 THR 66 HG23 THR 66 20.933 3.722 3.722 474 2HG2 THR 66 HG22 THR 66 21.336 4.103 4.103 475 3HG2 THR 66 HG21 THR 66 22.558 4.262 4.262 476 H ASP 67 HN ASP 67 22.611 3.775 3.775 477 HA ASP 67 HA ASP 67 24.950 2.911 2.911 478 1HB ASP 67 HB2 ASP 67 23.809 5.702 5.702 479 2HB ASP 67 HB1 ASP 67 24.900 5.113 5.113 480 H GLU 68 HN GLU 68 24.258 5.315 5.315 481 HA GLU 68 HA GLU 68 26.986 6.089 6.089 482 1HB GLU 68 HB2 GLU 68 25.056 7.408 7.408 483 2HB GLU 68 HB1 GLU 68 24.589 6.083 6.083 484 1HG GLU 68 HG2 GLU 68 26.241 6.564 6.564 485 2HG GLU 68 HG1 GLU 68 27.396 7.018 7.018 486 H GLN 69 HN GLN 69 25.425 3.186 3.186 487 HA GLN 69 HA GLN 69 26.986 2.358 2.358 488 1HB GLN 69 HB2 GLN 69 24.679 1.309 1.309 489 2HB GLN 69 HB1 GLN 69 25.557 0.205 0.205 490 1HG GLN 69 HG2 GLN 69 23.524 1.276 1.276 491 2HG GLN 69 HG1 GLN 69 25.017 1.616 1.616 492 1HE2 GLN 69 HE22 GLN 69 25.137 5.009 5.009 493 2HE2 GLN 69 HE21 GLN 69 26.103 3.703 3.703 494 H ILE 70 HN ILE 70 26.651 1.732 1.732 495 HA ILE 70 HA ILE 70 28.667 -0.390 -0.390 496 HB ILE 70 HB ILE 70 27.856 1.380 1.380 497 1HG1 ILE 70 HG12 ILE 70 25.816 0.388 0.388 498 2HG1 ILE 70 HG11 ILE 70 26.536 -0.848 -0.848 499 1HG2 ILE 70 HG22 ILE 70 29.821 -0.658 -0.658 500 2HG2 ILE 70 HG21 ILE 70 28.545 -1.304 -1.304 501 3HG2 ILE 70 HG23 ILE 70 29.369 0.191 0.191 502 1HD1 ILE 70 HD11 ILE 70 26.673 -0.842 -0.842 503 2HD1 ILE 70 HD13 ILE 70 25.527 -1.788 -1.788 504 3HD1 ILE 70 HD12 ILE 70 27.253 -2.116 -2.116 505 H GLN 71 HN GLN 71 28.611 2.932 2.932 506 HA GLN 71 HA GLN 71 31.321 3.449 3.449 507 1HB GLN 71 HB2 GLN 71 28.920 4.994 4.994 508 2HB GLN 71 HB1 GLN 71 30.480 5.753 5.753 509 1HG GLN 71 HG2 GLN 71 30.265 4.511 4.511 510 2HG GLN 71 HG1 GLN 71 29.087 5.798 5.798 511 1HE2 GLN 71 HE22 GLN 71 31.664 8.312 8.312 512 2HE2 GLN 71 HE21 GLN 71 30.134 7.860 7.860 513 H ASP 72 HN ASP 72 29.495 4.305 4.305 514 HA ASP 72 HA ASP 72 31.542 4.735 4.735 515 1HB ASP 72 HB2 ASP 72 28.678 3.870 3.870 516 2HB ASP 72 HB1 ASP 72 29.658 3.999 3.999 517 H VAL 73 HN VAL 73 29.904 1.718 1.718 518 HA VAL 73 HA VAL 73 31.106 0.070 0.070 519 HB VAL 73 HB VAL 73 29.052 -0.454 -0.454 520 1HG1 VAL 73 HG11 VAL 73 30.619 -0.085 -0.085 521 2HG1 VAL 73 HG13 VAL 73 31.021 -1.779 -1.779 522 3HG1 VAL 73 HG12 VAL 73 29.350 -1.310 -1.310 523 1HG2 VAL 73 HG21 VAL 73 30.064 -2.037 -2.037 524 2HG2 VAL 73 HG23 VAL 73 29.486 -2.866 -2.866 525 3HG2 VAL 73 HG22 VAL 73 31.210 -2.547 -2.547 526 H ALA 74 HN ALA 74 32.160 1.169 1.169 527 HA ALA 74 HA ALA 74 34.358 -0.736 -0.736 528 1HB ALA 74 HB3 ALA 74 33.460 1.689 1.689 529 2HB ALA 74 HB2 ALA 74 35.162 1.242 1.242 530 3HB ALA 74 HB1 ALA 74 33.911 0.097 0.097 531 H ALA 75 HN ALA 75 34.173 2.777 2.777 532 HA ALA 75 HA ALA 75 36.797 3.100 3.100 533 1HB ALA 75 HB1 ALA 75 34.197 4.609 4.609 534 2HB ALA 75 HB3 ALA 75 35.486 5.044 5.044 535 3HB ALA 75 HB2 ALA 75 35.764 5.149 5.149 536 H TYR 76 HN TYR 76 33.875 1.708 1.708 537 HA TYR 76 HA TYR 76 34.280 1.868 1.868 538 1HB TYR 76 HB2 TYR 76 32.042 1.249 1.249 539 2HB TYR 76 HB1 TYR 76 32.798 -0.188 -0.188 540 HD1 TYR 76 HD1 TYR 76 32.117 1.459 1.459 541 HD2 TYR 76 HD2 TYR 76 33.014 -2.127 -2.127 542 HE1 TYR 76 HE1 TYR 76 31.716 0.249 0.249 543 HE2 TYR 76 HE2 TYR 76 32.606 -3.405 -3.405 544 HH TYR 76 HH TYR 76 32.709 -2.870 -2.870 545 H VAL 77 HN VAL 77 35.127 -0.511 -0.511 546 HA VAL 77 HA VAL 77 36.361 -2.331 -2.331 547 HB VAL 77 HB VAL 77 36.614 -1.992 -1.992 548 1HG1 VAL 77 HG11 VAL 77 38.207 -3.571 -3.571 549 2HG1 VAL 77 HG13 VAL 77 37.538 -4.512 -4.512 550 3HG1 VAL 77 HG12 VAL 77 38.569 -3.124 -3.124 551 1HG2 VAL 77 HG21 VAL 77 34.894 -3.524 -3.524 552 2HG2 VAL 77 HG23 VAL 77 34.598 -3.033 -3.033 553 3HG2 VAL 77 HG22 VAL 77 35.562 -4.471 -4.471 554 H LEU 78 HN LEU 78 37.334 0.599 0.599 555 HA LEU 78 HA LEU 78 40.199 0.114 0.114 556 1HB LEU 78 HB2 LEU 78 38.909 2.798 2.798 557 2HB LEU 78 HB1 LEU 78 40.536 2.274 2.274 558 HG LEU 78 HG LEU 78 37.932 1.673 1.673 559 1HD1 LEU 78 HD13 LEU 78 40.755 2.370 2.370 560 2HD1 LEU 78 HD12 LEU 78 39.514 1.899 1.899 561 3HD1 LEU 78 HD11 LEU 78 39.301 3.350 3.350 562 1HD2 LEU 78 HD23 LEU 78 40.211 -0.236 -0.236 563 2HD2 LEU 78 HD22 LEU 78 38.483 -0.566 -0.566 564 3HD2 LEU 78 HD21 LEU 78 39.407 -0.153 -0.153 565 H ASP 79 HN ASP 79 37.585 0.913 0.913 566 HA ASP 79 HA ASP 79 39.147 2.555 2.555 567 1HB ASP 79 HB2 ASP 79 36.602 2.807 2.807 568 2HB ASP 79 HB1 ASP 79 36.351 1.718 1.718 569 H GLN 80 HN GLN 80 37.198 -0.383 -0.383 570 HA GLN 80 HA GLN 80 37.756 -1.285 -1.285 571 1HB GLN 80 HB2 GLN 80 36.938 -2.872 -2.872 572 2HB GLN 80 HB1 GLN 80 36.725 -3.337 -3.337 573 1HG GLN 80 HG2 GLN 80 35.548 -0.794 -0.794 574 2HG GLN 80 HG1 GLN 80 34.688 -2.337 -2.337 575 1HE2 GLN 80 HE22 GLN 80 34.029 -0.387 -0.387 576 2HE2 GLN 80 HE21 GLN 80 34.115 0.170 0.170 577 H ALA 81 HN ALA 81 39.225 -2.021 -2.021 578 HA ALA 81 HA ALA 81 40.898 -4.148 -4.148 579 1HB ALA 81 HB2 ALA 81 41.051 -2.146 -2.146 580 2HB ALA 81 HB1 ALA 81 42.409 -3.230 -3.230 581 3HB ALA 81 HB3 ALA 81 40.822 -3.892 -3.892 582 H ALA 82 HN ALA 82 41.508 -0.650 -0.650 583 HA ALA 82 HA ALA 82 44.081 -0.997 -0.997 584 1HB ALA 82 HB2 ALA 82 43.562 0.696 0.696 585 2HB ALA 82 HB1 ALA 82 42.753 1.634 1.634 586 3HB ALA 82 HB3 ALA 82 44.476 1.283 1.283 587 H LYS 83 HN LYS 83 41.179 -1.290 -1.290 588 HA LYS 83 HA LYS 83 42.008 0.180 0.180 589 1HB LYS 83 HB2 LYS 83 39.946 1.240 1.240 590 2HB LYS 83 HB1 LYS 83 40.192 1.385 1.385 591 1HG LYS 83 HG2 LYS 83 38.170 0.408 0.408 592 2HG LYS 83 HG1 LYS 83 38.942 -1.089 -1.089 593 1HD LYS 83 HD2 LYS 83 38.048 -0.964 -0.964 594 2HD LYS 83 HD1 LYS 83 38.138 0.797 0.797 595 1HE LYS 83 HE2 LYS 83 36.287 0.469 0.469 596 2HE LYS 83 HE1 LYS 83 35.961 -0.965 -0.965 597 1HZ LYS 83 HZ1 LYS 83 36.356 1.268 1.268 598 2HZ LYS 83 HZ3 LYS 83 35.178 1.642 1.642 599 3HZ LYS 83 HZ2 LYS 83 34.980 0.284 0.284 600 H GLY 84 HN GLY 84 41.790 -2.764 -2.764 601 1HA GLY 84 HA2 GLY 84 41.581 -4.682 -4.682 602 2HA GLY 84 HA1 GLY 84 40.788 -3.676 -3.676 603 H TRP 85 HN TRP 85 40.277 -5.041 -5.041 604 HA TRP 85 HA TRP 85 37.606 -4.685 -4.685 605 1HB TRP 85 HB2 TRP 85 39.530 -6.791 -6.791 606 2HB TRP 85 HB1 TRP 85 37.883 -7.400 -7.400 607 HD1 TRP 85 HD1 TRP 85 40.163 -6.097 -6.097 608 HE1 TRP 85 HE1 TRP 85 38.929 -5.016 -5.016 609 HE3 TRP 85 HE3 TRP 85 35.525 -5.616 -5.616 610 HZ2 TRP 85 HZ2 TRP 85 36.324 -4.088 -4.088 611 HZ3 TRP 85 HZ3 TRP 85 33.682 -4.614 -4.614 612 HH2 TRP 85 HH2 TRP 85 34.063 -3.823 -3.823 613 H ALA 86 HN ALA 86 36.547 -4.502 -4.502 614 HA ALA 86 HA ALA 86 35.312 -5.329 -5.329 615 1HB ALA 86 HB1 ALA 86 34.933 -7.376 -7.376 616 2HB ALA 86 HB3 ALA 86 34.156 -7.577 -7.577 617 3HB ALA 86 HB2 ALA 86 33.793 -6.162 -6.162 618 H GLY 87 HN GLY 87 38.149 -5.915 -5.915 619 1HA GLY 87 HA2 GLY 87 38.253 -7.760 -7.760 620 2HA GLY 87 HA1 GLY 87 38.765 -8.577 -8.577 621 HHA HEC 88 HA HEM 88 36.049 -10.361 -10.361 622 HHB HEC 88 HB HEM 88 34.069 -5.805 -5.805 623 HHC HEC 88 HC HEM 88 28.467 -8.738 -8.738 624 HHD HEC 88 HD HEM 88 30.718 -13.602 -13.602 625 1HMA HEC 88 HMA1 HEM 88 36.218 -5.735 -5.735 626 2HMA HEC 88 HMA2 HEM 88 36.662 -5.256 -5.256 627 3HMA HEC 88 HMA3 HEM 88 37.677 -6.451 -6.451 628 1HAA HEC 88 HAA1 HEM 88 37.798 -9.383 -9.383 629 2HAA HEC 88 HAA2 HEM 88 38.305 -7.815 -7.815 630 1HBA HEC 88 HBA1 HEM 88 36.578 -7.899 -7.899 631 2HBA HEC 88 HBA2 HEM 88 37.622 -6.558 -6.558 632 1HMB HEC 88 HMB1 HEM 88 31.939 -5.238 -5.238 633 2HMB HEC 88 HMB2 HEM 88 31.267 -4.156 -4.156 634 3HMB HEC 88 HMB3 HEM 88 32.979 -4.726 -4.726 635 HAB HEC 88 HAB HEM 88 29.021 -5.189 -5.189 636 1HBB HEC 88 HBB1 HEM 88 27.778 -7.233 -7.233 637 2HBB HEC 88 HBB2 HEM 88 26.861 -6.043 -6.043 638 3HBB HEC 88 HBB3 HEM 88 27.517 -7.529 -7.529 639 1HMC HEC 88 HMC1 HEM 88 26.356 -11.476 -11.476 640 2HMC HEC 88 HMC2 HEM 88 26.866 -9.860 -9.860 641 3HMC HEC 88 HMC3 HEM 88 27.159 -11.359 -11.359 642 HAC HEC 88 HAC HEM 88 29.358 -14.210 -14.210 643 1HBC HEC 88 HBC1 HEM 88 27.267 -15.024 -15.024 644 2HBC HEC 88 HBC2 HEM 88 26.366 -13.602 -13.602 645 3HBC HEC 88 HBC3 HEM 88 27.384 -13.424 -13.424 646 1HMD HEC 88 HMD1 HEM 88 33.604 -15.192 -15.192 647 2HMD HEC 88 HMD2 HEM 88 31.847 -14.792 -14.792 648 3HMD HEC 88 HMD3 HEM 88 32.740 -14.442 -14.442 649 1HAD HEC 88 HAD1 HEM 88 35.537 -13.949 -13.949 650 2HAD HEC 88 HAD2 HEM 88 36.394 -12.423 -12.423 651 1HBD HEC 88 HBD1 HEM 88 35.887 -13.076 -13.076 652 2HBD HEC 88 HBD2 HEM 88 34.277 -12.337 -12.337 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 31.856 11.757 11.757 2 2H ALA 1 HT3 ALA 1 33.157 11.490 11.490 3 3H ALA 1 HT2 ALA 1 33.451 11.858 11.858 4 HA ALA 1 HA ALA 1 33.742 9.618 9.618 5 1HB ALA 1 HB1 ALA 1 32.439 9.772 9.772 6 2HB ALA 1 HB3 ALA 1 31.568 8.574 8.574 7 3HB ALA 1 HB2 ALA 1 33.301 8.395 8.395 8 H ASP 2 HN ASP 2 32.981 8.851 8.851 9 HA ASP 2 HA ASP 2 30.041 9.071 9.071 10 1HB ASP 2 HB2 ASP 2 31.113 8.978 8.978 11 2HB ASP 2 HB1 ASP 2 30.687 10.470 10.470 12 H LEU 3 HN LEU 3 32.920 7.109 7.109 13 HA LEU 3 HA LEU 3 31.843 5.023 5.023 14 1HB LEU 3 HB2 LEU 3 33.983 4.852 4.852 15 2HB LEU 3 HB1 LEU 3 33.681 3.649 3.649 16 HG LEU 3 HG LEU 3 33.964 6.307 6.307 17 1HD1 LEU 3 HD13 LEU 3 35.640 5.814 5.814 18 2HD1 LEU 3 HD12 LEU 3 36.639 5.571 5.571 19 3HD1 LEU 3 HD11 LEU 3 35.798 7.102 7.102 20 1HD2 LEU 3 HD22 LEU 3 34.148 4.063 4.063 21 2HD2 LEU 3 HD21 LEU 3 35.499 5.150 5.150 22 3HD2 LEU 3 HD23 LEU 3 35.684 3.831 3.831 23 H ALA 4 HN ALA 4 30.904 6.079 6.079 24 HA ALA 4 HA ALA 4 30.359 3.613 3.613 25 1HB ALA 4 HB3 ALA 4 29.972 6.333 6.333 26 2HB ALA 4 HB2 ALA 4 28.342 5.665 5.665 27 3HB ALA 4 HB1 ALA 4 29.514 4.983 4.983 28 H ASN 5 HN ASN 5 28.893 5.459 5.459 29 HA ASN 5 HA ASN 5 26.367 4.025 4.025 30 1HB ASN 5 HB2 ASN 5 27.564 6.282 6.282 31 2HB ASN 5 HB1 ASN 5 27.131 5.166 5.166 32 1HD2 ASN 5 HD22 ASN 5 23.979 6.162 6.162 33 2HD2 ASN 5 HD21 ASN 5 25.467 5.699 5.699 34 H GLY 6 HN GLY 6 29.568 3.672 3.672 35 1HA GLY 6 HA2 GLY 6 29.016 1.785 1.785 36 2HA GLY 6 HA1 GLY 6 30.551 1.916 1.916 37 H ALA 7 HN ALA 7 30.186 1.137 1.137 38 HA ALA 7 HA ALA 7 29.859 -1.642 -1.642 39 1HB ALA 7 HB3 ALA 7 30.257 0.380 0.380 40 2HB ALA 7 HB2 ALA 7 29.047 -0.770 -0.770 41 3HB ALA 7 HB1 ALA 7 30.643 -1.341 -1.341 42 H LYS 8 HN LYS 8 27.429 0.872 0.872 43 HA LYS 8 HA LYS 8 25.336 -0.760 -0.760 44 1HB LYS 8 HB2 LYS 8 24.900 1.568 1.568 45 2HB LYS 8 HB1 LYS 8 25.346 1.740 1.740 46 1HG LYS 8 HG2 LYS 8 23.133 -0.154 -0.154 47 2HG LYS 8 HG1 LYS 8 22.763 1.521 1.521 48 1HD LYS 8 HD2 LYS 8 23.704 0.434 0.434 49 2HD LYS 8 HD1 LYS 8 22.154 1.191 1.191 50 1HE LYS 8 HE2 LYS 8 24.869 2.462 2.462 51 2HE LYS 8 HE1 LYS 8 23.363 2.923 2.923 52 1HZ LYS 8 HZ2 LYS 8 22.679 3.189 3.189 53 2HZ LYS 8 HZ1 LYS 8 24.330 3.582 3.582 54 3HZ LYS 8 HZ3 LYS 8 23.309 4.456 4.456 55 H VAL 9 HN VAL 9 26.393 -0.040 -0.040 56 HA VAL 9 HA VAL 9 24.375 -1.770 -1.770 57 HB VAL 9 HB VAL 9 26.755 -0.218 -0.218 58 1HG1 VAL 9 HG11 VAL 9 26.773 -2.432 -2.432 59 2HG1 VAL 9 HG13 VAL 9 25.116 -2.129 -2.129 60 3HG1 VAL 9 HG12 VAL 9 26.421 -1.082 -1.082 61 1HG2 VAL 9 HG21 VAL 9 23.758 -0.221 -0.221 62 2HG2 VAL 9 HG23 VAL 9 24.834 1.140 1.140 63 3HG2 VAL 9 HG22 VAL 9 24.714 0.458 0.458 64 H PHE 10 HN PHE 10 27.931 -2.007 -2.007 65 HA PHE 10 HA PHE 10 28.176 -4.593 -4.593 66 1HB PHE 10 HB2 PHE 10 30.136 -3.253 -3.253 67 2HB PHE 10 HB1 PHE 10 29.795 -3.171 -3.171 68 HD1 PHE 10 HD1 PHE 10 29.646 -5.401 -5.401 69 HD2 PHE 10 HD2 PHE 10 31.520 -4.994 -4.994 70 HE1 PHE 10 HE1 PHE 10 30.888 -7.492 -7.492 71 HE2 PHE 10 HE2 PHE 10 32.766 -7.102 -7.102 72 HZ PHE 10 HZ PHE 10 32.454 -8.352 -8.352 73 H SER 11 HN SER 11 26.967 -3.541 -3.541 74 HA SER 11 HA SER 11 27.173 -6.213 -6.213 75 1HB SER 11 HB2 SER 11 26.355 -5.208 -5.208 76 2HB SER 11 HB1 SER 11 27.384 -3.976 -3.976 77 HG SER 11 HG SER 11 24.886 -3.724 -3.724 78 H GLY 12 HN GLY 12 25.434 -5.481 -5.481 79 1HA GLY 12 HA2 GLY 12 23.107 -6.994 -6.994 80 2HA GLY 12 HA1 GLY 12 22.772 -5.399 -5.399 81 H ASN 13 HN ASN 13 25.469 -6.657 -6.657 82 HA ASN 13 HA ASN 13 23.888 -8.195 -8.195 83 1HB ASN 13 HB2 ASN 13 25.550 -5.807 -5.807 84 2HB ASN 13 HB1 ASN 13 24.509 -6.804 -6.804 85 1HD2 ASN 13 HD22 ASN 13 22.904 -3.721 -3.721 86 2HD2 ASN 13 HD21 ASN 13 24.584 -4.010 -4.010 87 H CYS 14 HN CYS 14 27.079 -6.764 -6.764 88 HA CYS 14 HA CYS 14 28.483 -8.889 -8.889 89 1HB CYS 14 HB2 CYS 14 29.859 -7.167 -7.167 90 2HB CYS 14 HB1 CYS 14 30.424 -7.696 -7.696 91 H ALA 15 HN ALA 15 27.481 -8.207 -8.207 92 HA ALA 15 HA ALA 15 29.087 -9.844 -9.844 93 1HB ALA 15 HB2 ALA 15 26.094 -9.433 -9.433 94 2HB ALA 15 HB1 ALA 15 27.025 -10.236 -10.236 95 3HB ALA 15 HB3 ALA 15 27.336 -8.543 -8.543 96 H ALA 16 HN ALA 16 26.390 -10.859 -10.859 97 HA ALA 16 HA ALA 16 26.269 -13.575 -13.575 98 1HB ALA 16 HB2 ALA 16 25.079 -11.992 -11.992 99 2HB ALA 16 HB1 ALA 16 25.952 -13.219 -13.219 100 3HB ALA 16 HB3 ALA 16 24.759 -13.702 -13.702 101 H CYS 17 HN CYS 17 28.366 -12.005 -12.005 102 HA CYS 17 HA CYS 17 29.934 -14.536 -14.536 103 1HB CYS 17 HB2 CYS 17 29.734 -12.337 -12.337 104 2HB CYS 17 HB1 CYS 17 30.674 -13.811 -13.811 105 H HIS 18 HN HIS 18 30.271 -12.411 -12.411 106 HA HIS 18 HA HIS 18 33.146 -12.073 -12.073 107 1HB HIS 18 HB2 HIS 18 31.245 -9.746 -9.746 108 2HB HIS 18 HB1 HIS 18 32.888 -9.515 -9.515 109 HD1 HIS 18 HD1 HIS 18 34.833 -10.347 -10.347 110 HD2 HIS 18 HD2 HIS 18 31.114 -10.058 -10.058 111 HE1 HIS 18 HE1 HIS 18 35.259 -10.417 -10.417 112 H MET 19 HN MET 19 30.789 -10.025 -10.025 113 HA MET 19 HA MET 19 30.503 -9.533 -9.533 114 1HB MET 19 HB2 MET 19 30.198 -12.299 -12.299 115 2HB MET 19 HB1 MET 19 31.099 -12.088 -12.088 116 1HG MET 19 HG2 MET 19 28.925 -10.163 -10.163 117 2HG MET 19 HG1 MET 19 28.337 -11.828 -11.828 118 1HE MET 19 HE2 MET 19 28.775 -13.500 -13.500 119 2HE MET 19 HE1 MET 19 29.909 -13.627 -13.627 120 3HE MET 19 HE3 MET 19 28.205 -13.273 -13.273 121 H GLY 20 HN GLY 20 32.005 -8.328 -8.328 122 1HA GLY 20 HA2 GLY 20 34.057 -7.724 -7.724 123 2HA GLY 20 HA1 GLY 20 34.025 -9.361 -9.361 124 H GLY 21 HN GLY 21 34.483 -7.965 -7.965 125 1HA GLY 21 HA2 GLY 21 35.959 -8.659 -8.659 126 2HA GLY 21 HA1 GLY 21 37.156 -8.374 -8.374 127 H GLY 22 HN GLY 22 35.058 -10.857 -10.857 128 1HA GLY 22 HA2 GLY 22 37.109 -12.880 -12.880 129 2HA GLY 22 HA1 GLY 22 35.733 -13.110 -13.110 130 H ASN 23 HN ASN 23 36.852 -13.338 -13.338 131 HA ASN 23 HA ASN 23 34.383 -13.608 -13.608 132 1HB ASN 23 HB2 ASN 23 37.018 -13.725 -13.725 133 2HB ASN 23 HB1 ASN 23 36.558 -15.425 -15.425 134 1HD2 ASN 23 HD22 ASN 23 35.063 -12.705 -12.705 135 2HD2 ASN 23 HD21 ASN 23 35.993 -12.192 -12.192 136 H VAL 24 HN VAL 24 33.151 -15.508 -15.508 137 HA VAL 24 HA VAL 24 33.654 -17.798 -17.798 138 HB VAL 24 HB VAL 24 31.324 -18.067 -18.067 139 1HG1 VAL 24 HG12 VAL 24 32.047 -15.134 -15.134 140 2HG1 VAL 24 HG11 VAL 24 30.512 -15.696 -15.696 141 3HG1 VAL 24 HG13 VAL 24 32.028 -16.170 -16.170 142 1HG2 VAL 24 HG21 VAL 24 30.957 -16.181 -16.181 143 2HG2 VAL 24 HG23 VAL 24 30.641 -17.917 -17.917 144 3HG2 VAL 24 HG22 VAL 24 29.647 -16.840 -16.840 145 H VAL 25 HN VAL 25 33.337 -16.797 -16.797 146 HA VAL 25 HA VAL 25 32.766 -19.575 -19.575 147 HB VAL 25 HB VAL 25 33.026 -17.093 -17.093 148 1HG1 VAL 25 HG13 VAL 25 32.401 -19.925 -19.925 149 2HG1 VAL 25 HG12 VAL 25 31.176 -18.847 -18.847 150 3HG1 VAL 25 HG11 VAL 25 32.859 -18.692 -18.692 151 1HG2 VAL 25 HG21 VAL 25 30.749 -18.119 -18.119 152 2HG2 VAL 25 HG23 VAL 25 31.244 -16.455 -16.455 153 3HG2 VAL 25 HG22 VAL 25 30.398 -17.368 -17.368 154 H MET 26 HN MET 26 34.902 -16.955 -16.955 155 HA MET 26 HA MET 26 36.833 -18.912 -18.912 156 1HB MET 26 HB2 MET 26 36.528 -15.958 -15.958 157 2HB MET 26 HB1 MET 26 38.182 -16.574 -16.574 158 1HG MET 26 HG2 MET 26 35.925 -17.546 -17.546 159 2HG MET 26 HG1 MET 26 37.075 -16.296 -16.296 160 1HE MET 26 HE3 MET 26 36.963 -17.885 -17.885 161 2HE MET 26 HE2 MET 26 38.689 -17.550 -17.550 162 3HE MET 26 HE1 MET 26 38.109 -19.209 -19.209 163 H ALA 27 HN ALA 27 38.790 -19.471 -19.471 164 HA ALA 27 HA ALA 27 39.154 -18.611 -18.611 165 1HB ALA 27 HB2 ALA 27 39.358 -21.116 -21.116 166 2HB ALA 27 HB1 ALA 27 41.000 -20.661 -20.661 167 3HB ALA 27 HB3 ALA 27 39.738 -20.755 -20.755 168 H ASN 28 HN ASN 28 39.914 -16.526 -16.526 169 HA ASN 28 HA ASN 28 42.692 -16.239 -16.239 170 1HB ASN 28 HB2 ASN 28 43.597 -16.229 -16.229 171 2HB ASN 28 HB1 ASN 28 42.725 -17.754 -17.754 172 1HD2 ASN 28 HD22 ASN 28 40.018 -16.720 -16.720 173 2HD2 ASN 28 HD21 ASN 28 40.326 -17.644 -17.644 174 H LYS 29 HN LYS 29 39.987 -15.157 -15.157 175 HA LYS 29 HA LYS 29 40.965 -12.398 -12.398 176 1HB LYS 29 HB2 LYS 29 38.791 -13.915 -13.915 177 2HB LYS 29 HB1 LYS 29 38.333 -12.276 -12.276 178 1HG LYS 29 HG2 LYS 29 39.702 -11.327 -11.327 179 2HG LYS 29 HG1 LYS 29 40.996 -12.486 -12.486 180 1HD LYS 29 HD2 LYS 29 39.737 -14.192 -14.192 181 2HD LYS 29 HD1 LYS 29 38.490 -12.992 -12.992 182 1HE LYS 29 HE2 LYS 29 39.704 -12.133 -12.133 183 2HE LYS 29 HE1 LYS 29 41.101 -11.921 -11.921 184 1HZ LYS 29 HZ1 LYS 29 40.687 -14.662 -14.662 185 2HZ LYS 29 HZ3 LYS 29 40.840 -13.742 -13.742 186 3HZ LYS 29 HZ2 LYS 29 42.066 -13.701 -13.701 187 H THR 30 HN THR 30 41.049 -12.327 -12.327 188 HA THR 30 HA THR 30 38.432 -12.137 -12.137 189 HB THR 30 HB THR 30 41.094 -11.485 -11.485 190 HG1 THR 30 HG1 THR 30 39.960 -14.059 -14.059 191 1HG2 THR 30 HG22 THR 30 38.346 -12.160 -12.160 192 2HG2 THR 30 HG21 THR 30 39.640 -12.931 -12.931 193 3HG2 THR 30 HG23 THR 30 39.569 -11.172 -11.172 194 H LEU 31 HN LEU 31 38.297 -10.163 -10.163 195 HA LEU 31 HA LEU 31 38.683 -7.687 -7.687 196 1HB LEU 31 HB2 LEU 31 36.875 -8.500 -8.500 197 2HB LEU 31 HB1 LEU 31 37.126 -6.793 -6.793 198 HG LEU 31 HG LEU 31 35.280 -8.547 -8.547 199 1HD1 LEU 31 HD13 LEU 31 35.703 -5.849 -5.849 200 2HD1 LEU 31 HD12 LEU 31 35.885 -6.152 -6.152 201 3HD1 LEU 31 HD11 LEU 31 34.398 -6.620 -6.620 202 1HD2 LEU 31 HD22 LEU 31 37.157 -9.420 -9.420 203 2HD2 LEU 31 HD21 LEU 31 35.875 -8.657 -8.657 204 3HD2 LEU 31 HD23 LEU 31 37.380 -7.791 -7.791 205 H LYS 32 HN LYS 32 39.784 -9.323 -9.323 206 HA LYS 32 HA LYS 32 40.370 -7.328 -7.328 207 1HB LYS 32 HB2 LYS 32 41.764 -9.875 -9.875 208 2HB LYS 32 HB1 LYS 32 42.550 -8.775 -8.775 209 1HG LYS 32 HG2 LYS 32 40.984 -9.133 -9.133 210 2HG LYS 32 HG1 LYS 32 39.662 -9.264 -9.264 211 1HD LYS 32 HD2 LYS 32 40.198 -11.423 -11.423 212 2HD LYS 32 HD1 LYS 32 40.310 -11.526 -11.526 213 1HE LYS 32 HE2 LYS 32 42.787 -10.728 -10.728 214 2HE LYS 32 HE1 LYS 32 42.270 -12.403 -12.403 215 1HZ LYS 32 HZ3 LYS 32 41.959 -11.852 -11.852 216 2HZ LYS 32 HZ2 LYS 32 43.444 -11.139 -11.139 217 3HZ LYS 32 HZ1 LYS 32 43.182 -12.792 -12.792 218 H LYS 33 HN LYS 33 43.148 -8.481 -8.481 219 HA LYS 33 HA LYS 33 43.722 -5.779 -5.779 220 1HB LYS 33 HB2 LYS 33 45.687 -5.356 -5.356 221 2HB LYS 33 HB1 LYS 33 44.362 -5.696 -5.696 222 1HG LYS 33 HG2 LYS 33 45.137 -8.085 -8.085 223 2HG LYS 33 HG1 LYS 33 46.540 -7.614 -7.614 224 1HD LYS 33 HD2 LYS 33 45.951 -6.006 -6.006 225 2HD LYS 33 HD1 LYS 33 46.615 -7.625 -7.625 226 1HE LYS 33 HE2 LYS 33 48.634 -6.643 -6.643 227 2HE LYS 33 HE1 LYS 33 48.183 -6.633 -6.633 228 1HZ LYS 33 HZ2 LYS 33 46.957 -4.452 -4.452 229 2HZ LYS 33 HZ1 LYS 33 48.598 -4.445 -4.445 230 3HZ LYS 33 HZ3 LYS 33 48.164 -4.435 -4.435 231 H GLU 34 HN GLU 34 45.188 -8.933 -8.933 232 HA GLU 34 HA GLU 34 47.285 -8.796 -8.796 233 1HB GLU 34 HB2 GLU 34 45.828 -11.184 -11.184 234 2HB GLU 34 HB1 GLU 34 47.303 -11.301 -11.301 235 1HG GLU 34 HG2 GLU 34 47.427 -9.349 -9.349 236 2HG GLU 34 HG1 GLU 34 47.264 -11.033 -11.033 237 H ALA 35 HN ALA 35 43.930 -9.160 -9.160 238 HA ALA 35 HA ALA 35 44.452 -10.362 -10.362 239 1HB ALA 35 HB3 ALA 35 42.218 -10.474 -10.474 240 2HB ALA 35 HB2 ALA 35 41.724 -10.235 -10.235 241 3HB ALA 35 HB1 ALA 35 42.703 -11.635 -11.635 242 H LEU 36 HN LEU 36 42.688 -7.660 -7.660 243 HA LEU 36 HA LEU 36 41.828 -6.495 -6.495 244 1HB LEU 36 HB2 LEU 36 41.793 -4.326 -4.326 245 2HB LEU 36 HB1 LEU 36 40.788 -5.655 -5.655 246 HG LEU 36 HG LEU 36 43.565 -5.594 -5.594 247 1HD1 LEU 36 HD12 LEU 36 42.478 -3.176 -3.176 248 2HD1 LEU 36 HD11 LEU 36 41.550 -3.798 -3.798 249 3HD1 LEU 36 HD13 LEU 36 43.309 -3.744 -3.744 250 1HD2 LEU 36 HD22 LEU 36 40.915 -6.617 -6.617 251 2HD2 LEU 36 HD21 LEU 36 42.487 -7.131 -7.131 252 3HD2 LEU 36 HD23 LEU 36 41.646 -5.780 -5.780 253 H GLU 37 HN GLU 37 44.844 -6.262 -6.262 254 HA GLU 37 HA GLU 37 45.869 -4.248 -4.248 255 1HB GLU 37 HB2 GLU 37 47.431 -5.659 -5.659 256 2HB GLU 37 HB1 GLU 37 47.710 -4.052 -4.052 257 1HG GLU 37 HG2 GLU 37 45.044 -4.036 -4.036 258 2HG GLU 37 HG1 GLU 37 45.985 -4.824 -4.824 259 H GLN 38 HN GLN 38 45.518 -7.544 -7.544 260 HA GLN 38 HA GLN 38 48.031 -8.333 -8.333 261 1HB GLN 38 HB2 GLN 38 46.020 -9.674 -9.674 262 2HB GLN 38 HB1 GLN 38 45.503 -9.832 -9.832 263 1HG GLN 38 HG2 GLN 38 47.830 -11.012 -11.012 264 2HG GLN 38 HG1 GLN 38 46.834 -11.665 -11.665 265 1HE2 GLN 38 HE22 GLN 38 50.189 -9.504 -9.504 266 2HE2 GLN 38 HE21 GLN 38 49.622 -9.580 -9.580 267 H PHE 39 HN PHE 39 44.732 -8.137 -8.137 268 HA PHE 39 HA PHE 39 45.686 -7.928 -7.928 269 1HB PHE 39 HB2 PHE 39 43.018 -7.673 -7.673 270 2HB PHE 39 HB1 PHE 39 43.830 -9.228 -9.228 271 HD1 PHE 39 HD1 PHE 39 41.985 -6.620 -6.620 272 HD2 PHE 39 HD2 PHE 39 43.511 -10.635 -10.635 273 HE1 PHE 39 HE1 PHE 39 40.704 -7.136 -7.136 274 HE2 PHE 39 HE2 PHE 39 42.227 -11.147 -11.147 275 HZ PHE 39 HZ PHE 39 40.822 -9.396 -9.396 276 H GLY 40 HN GLY 40 43.650 -5.919 -5.919 277 1HA GLY 40 HA2 GLY 40 44.650 -3.485 -3.485 278 2HA GLY 40 HA1 GLY 40 44.169 -3.657 -3.657 279 H MET 41 HN MET 41 42.138 -5.070 -5.070 280 HA MET 41 HA MET 41 39.925 -3.380 -3.380 281 1HB MET 41 HB2 MET 41 38.561 -4.692 -4.692 282 2HB MET 41 HB1 MET 41 39.831 -5.819 -5.819 283 1HG MET 41 HG2 MET 41 39.887 -6.134 -6.134 284 2HG MET 41 HG1 MET 41 41.025 -4.796 -4.796 285 1HE MET 41 HE3 MET 41 38.888 -6.308 -6.308 286 2HE MET 41 HE2 MET 41 38.924 -5.103 -5.103 287 3HE MET 41 HE1 MET 41 37.420 -5.416 -5.416 288 H TYR 42 HN TYR 42 42.399 -3.235 -3.235 289 HA TYR 42 HA TYR 42 41.368 -1.753 -1.753 290 1HB TYR 42 HB2 TYR 42 43.790 -2.521 -2.521 291 2HB TYR 42 HB1 TYR 42 43.969 -1.010 -1.010 292 HD1 TYR 42 HD1 TYR 42 43.161 1.167 1.167 293 HD2 TYR 42 HD2 TYR 42 44.234 -2.532 -2.532 294 HE1 TYR 42 HE1 TYR 42 43.547 2.370 2.370 295 HE2 TYR 42 HE2 TYR 42 44.619 -1.334 -1.334 296 HH TYR 42 HH TYR 42 44.634 2.150 2.150 297 H SER 43 HN SER 43 41.679 -0.787 -0.787 298 HA SER 43 HA SER 43 41.350 2.069 2.069 299 1HB SER 43 HB2 SER 43 41.689 2.479 2.479 300 2HB SER 43 HB1 SER 43 42.791 1.156 1.156 301 HG SER 43 HG SER 43 41.695 0.572 0.572 302 H GLU 44 HN GLU 44 39.419 3.067 3.067 303 HA GLU 44 HA GLU 44 36.933 1.882 1.882 304 1HB GLU 44 HB2 GLU 44 37.868 4.612 4.612 305 2HB GLU 44 HB1 GLU 44 36.178 4.205 4.205 306 1HG GLU 44 HG2 GLU 44 35.680 4.277 4.277 307 2HG GLU 44 HG1 GLU 44 37.120 3.356 3.356 308 H ASP 45 HN ASP 45 38.115 3.558 3.558 309 HA ASP 45 HA ASP 45 36.140 2.710 2.710 310 1HB ASP 45 HB2 ASP 45 38.054 4.280 4.280 311 2HB ASP 45 HB1 ASP 45 39.022 2.839 2.839 312 H ALA 46 HN ALA 46 38.963 0.859 0.859 313 HA ALA 46 HA ALA 46 38.722 -1.285 -1.285 314 1HB ALA 46 HB1 ALA 46 39.829 -1.155 -1.155 315 2HB ALA 46 HB3 ALA 46 39.892 -2.622 -2.622 316 3HB ALA 46 HB2 ALA 46 40.725 -1.167 -1.167 317 H ILE 47 HN ILE 47 38.000 -1.750 -1.750 318 HA ILE 47 HA ILE 47 36.227 -3.911 -3.911 319 HB ILE 47 HB ILE 47 37.320 -3.314 -3.314 320 1HG1 ILE 47 HG12 ILE 47 34.299 -3.514 -3.514 321 2HG1 ILE 47 HG11 ILE 47 35.442 -4.848 -4.848 322 1HG2 ILE 47 HG23 ILE 47 36.904 -0.868 -0.868 323 2HG2 ILE 47 HG22 ILE 47 35.189 -1.176 -1.176 324 3HG2 ILE 47 HG21 ILE 47 36.371 -1.556 -1.556 325 1HD1 ILE 47 HD12 ILE 47 36.294 -3.918 -3.918 326 2HD1 ILE 47 HD11 ILE 47 35.100 -2.626 -2.626 327 3HD1 ILE 47 HD13 ILE 47 34.574 -4.292 -4.292 328 H ILE 48 HN ILE 48 35.750 -0.576 -0.576 329 HA ILE 48 HA ILE 48 32.901 -0.490 -0.490 330 HB ILE 48 HB ILE 48 34.893 1.314 1.314 331 1HG1 ILE 48 HG12 ILE 48 32.851 1.749 1.749 332 2HG1 ILE 48 HG11 ILE 48 34.537 1.326 1.326 333 1HG2 ILE 48 HG22 ILE 48 31.904 1.362 1.362 334 2HG2 ILE 48 HG21 ILE 48 32.817 2.871 2.871 335 3HG2 ILE 48 HG23 ILE 48 33.134 1.678 1.678 336 1HD1 ILE 48 HD13 ILE 48 35.159 3.388 3.388 337 2HD1 ILE 48 HD12 ILE 48 33.454 3.837 3.837 338 3HD1 ILE 48 HD11 ILE 48 34.382 3.717 3.717 339 H TYR 49 HN TYR 49 34.961 -1.141 -1.141 340 HA TYR 49 HA TYR 49 32.633 -1.499 -1.499 341 1HB TYR 49 HB2 TYR 49 34.747 -0.665 -0.665 342 2HB TYR 49 HB1 TYR 49 35.571 -2.134 -2.134 343 HD1 TYR 49 HD1 TYR 49 34.833 -4.366 -4.366 344 HD2 TYR 49 HD2 TYR 49 33.407 -0.640 -0.640 345 HE1 TYR 49 HE1 TYR 49 34.048 -5.535 -5.535 346 HE2 TYR 49 HE2 TYR 49 32.622 -1.805 -1.805 347 HH TYR 49 HH TYR 49 33.459 -4.196 -4.196 348 H GLN 50 HN GLN 50 34.497 -3.303 -3.303 349 HA GLN 50 HA GLN 50 33.729 -5.917 -5.917 350 1HB GLN 50 HB2 GLN 50 35.838 -6.167 -6.167 351 2HB GLN 50 HB1 GLN 50 35.586 -4.917 -4.917 352 1HG GLN 50 HG2 GLN 50 35.673 -6.823 -6.823 353 2HG GLN 50 HG1 GLN 50 33.935 -6.680 -6.680 354 1HE2 GLN 50 HE22 GLN 50 35.808 -9.437 -9.437 355 2HE2 GLN 50 HE21 GLN 50 36.491 -7.896 -7.896 356 H VAL 51 HN VAL 51 32.428 -3.534 -3.534 357 HA VAL 51 HA VAL 51 30.772 -5.449 -5.449 358 HB VAL 51 HB VAL 51 31.083 -2.439 -2.439 359 1HG1 VAL 51 HG12 VAL 51 29.095 -4.313 -4.313 360 2HG1 VAL 51 HG11 VAL 51 29.732 -3.043 -3.043 361 3HG1 VAL 51 HG13 VAL 51 28.912 -2.620 -2.620 362 1HG2 VAL 51 HG23 VAL 51 32.752 -4.342 -4.342 363 2HG2 VAL 51 HG22 VAL 51 32.483 -2.794 -2.794 364 3HG2 VAL 51 HG21 VAL 51 31.605 -4.227 -4.227 365 H GLN 52 HN GLN 52 30.397 -2.591 -2.591 366 HA GLN 52 HA GLN 52 27.586 -2.623 -2.623 367 1HB GLN 52 HB2 GLN 52 29.805 -1.340 -1.340 368 2HB GLN 52 HB1 GLN 52 28.596 -1.799 -1.799 369 1HG GLN 52 HG2 GLN 52 27.043 -0.335 -0.335 370 2HG GLN 52 HG1 GLN 52 27.524 -0.614 -0.614 371 1HE2 GLN 52 HE22 GLN 52 30.271 1.797 1.797 372 2HE2 GLN 52 HE21 GLN 52 30.017 0.199 0.199 373 H HIS 53 HN HIS 53 29.841 -4.886 -4.886 374 HA HIS 53 HA HIS 53 27.726 -6.176 -6.176 375 1HB HIS 53 HB2 HIS 53 30.423 -6.224 -6.224 376 2HB HIS 53 HB1 HIS 53 28.893 -6.185 -6.185 377 HD1 HIS 53 HD1 HIS 53 28.534 -4.008 -4.008 378 HD2 HIS 53 HD2 HIS 53 30.788 -3.493 -3.493 379 HE1 HIS 53 HE1 HIS 53 29.069 -1.535 -1.535 380 H GLY 54 HN GLY 54 29.517 -6.451 -6.451 381 1HA GLY 54 HA2 GLY 54 30.643 -8.238 -8.238 382 2HA GLY 54 HA1 GLY 54 29.643 -9.258 -9.258 383 H LYS 55 HN LYS 55 30.796 -10.492 -10.492 384 HA LYS 55 HA LYS 55 32.489 -9.880 -9.880 385 1HB LYS 55 HB2 LYS 55 33.783 -9.409 -9.409 386 2HB LYS 55 HB1 LYS 55 34.666 -10.638 -10.638 387 1HG LYS 55 HG2 LYS 55 34.403 -7.742 -7.742 388 2HG LYS 55 HG1 LYS 55 35.699 -8.864 -8.864 389 1HD LYS 55 HD2 LYS 55 34.031 -9.769 -9.769 390 2HD LYS 55 HD1 LYS 55 33.173 -8.243 -8.243 391 1HE LYS 55 HE2 LYS 55 34.770 -7.988 -7.988 392 2HE LYS 55 HE1 LYS 55 35.298 -7.020 -7.020 393 1HZ LYS 55 HZ1 LYS 55 36.259 -9.783 -9.783 394 2HZ LYS 55 HZ3 LYS 55 36.964 -8.572 -8.572 395 3HZ LYS 55 HZ2 LYS 55 37.005 -8.447 -8.447 396 H ASN 56 HN ASN 56 34.571 -11.750 -11.750 397 HA ASN 56 HA ASN 56 33.934 -14.010 -14.010 398 1HB ASN 56 HB2 ASN 56 35.428 -13.999 -13.999 399 2HB ASN 56 HB1 ASN 56 35.482 -15.299 -15.299 400 1HD2 ASN 56 HD22 ASN 56 37.664 -11.916 -11.916 401 2HD2 ASN 56 HD21 ASN 56 36.651 -12.075 -12.075 402 H ALA 57 HN ALA 57 33.175 -13.621 -13.621 403 HA ALA 57 HA ALA 57 30.853 -15.415 -15.415 404 1HB ALA 57 HB2 ALA 57 33.270 -16.059 -16.059 405 2HB ALA 57 HB1 ALA 57 31.694 -16.516 -16.516 406 3HB ALA 57 HB3 ALA 57 32.219 -17.135 -17.135 407 H MET 58 HN MET 58 31.586 -12.531 -12.531 408 HA MET 58 HA MET 58 30.282 -12.456 -12.456 409 1HB MET 58 HB2 MET 58 32.388 -11.251 -11.251 410 2HB MET 58 HB1 MET 58 31.812 -10.351 -10.351 411 1HG MET 58 HG2 MET 58 29.981 -9.413 -9.413 412 2HG MET 58 HG1 MET 58 30.736 -10.214 -10.214 413 1HE MET 58 HE2 MET 58 30.478 -7.891 -7.891 414 2HE MET 58 HE1 MET 58 31.449 -6.478 -6.478 415 3HE MET 58 HE3 MET 58 30.124 -6.989 -6.989 416 HA PRO 59 HA PRO 59 26.552 -11.114 -11.114 417 1HB PRO 59 HB2 PRO 59 25.341 -10.132 -10.132 418 2HB PRO 59 HB1 PRO 59 25.471 -11.855 -11.855 419 1HG PRO 59 HG2 PRO 59 26.947 -10.240 -10.240 420 2HG PRO 59 HG1 PRO 59 26.633 -11.979 -11.979 421 1HD PRO 59 HD2 PRO 59 29.053 -10.688 -10.688 422 2HD PRO 59 HD1 PRO 59 28.671 -12.397 -12.397 423 H ALA 60 HN ALA 60 26.620 -9.323 -9.323 424 HA ALA 60 HA ALA 60 27.630 -6.808 -6.808 425 1HB ALA 60 HB2 ALA 60 26.382 -7.606 -7.606 426 2HB ALA 60 HB1 ALA 60 24.874 -7.424 -7.424 427 3HB ALA 60 HB3 ALA 60 25.847 -6.004 -6.004 428 H PHE 61 HN PHE 61 26.643 -4.733 -4.733 429 HA PHE 61 HA PHE 61 24.497 -4.925 -4.925 430 1HB PHE 61 HB2 PHE 61 27.302 -4.011 -4.011 431 2HB PHE 61 HB1 PHE 61 25.966 -3.307 -3.307 432 HD1 PHE 61 HD1 PHE 61 24.391 -4.839 -4.839 433 HD2 PHE 61 HD2 PHE 61 28.096 -6.205 -6.205 434 HE1 PHE 61 HE1 PHE 61 24.303 -6.859 -6.859 435 HE2 PHE 61 HE2 PHE 61 28.014 -8.219 -8.219 436 HZ PHE 61 HZ PHE 61 26.119 -8.548 -8.548 437 H ALA 62 HN ALA 62 25.237 -3.733 -3.733 438 HA ALA 62 HA ALA 62 25.345 -0.962 -0.962 439 1HB ALA 62 HB2 ALA 62 23.837 -2.858 -2.858 440 2HB ALA 62 HB1 ALA 62 23.869 -1.118 -1.118 441 3HB ALA 62 HB3 ALA 62 25.370 -2.044 -2.044 442 H GLY 63 HN GLY 63 22.742 -3.024 -3.024 443 1HA GLY 63 HA2 GLY 63 21.314 -0.646 -0.646 444 2HA GLY 63 HA1 GLY 63 20.426 -1.613 -1.613 445 H ARG 64 HN ARG 64 22.661 -2.988 -2.988 446 HA ARG 64 HA ARG 64 20.357 -4.426 -4.426 447 1HB ARG 64 HB2 ARG 64 23.147 -5.092 -5.092 448 2HB ARG 64 HB1 ARG 64 22.662 -5.503 -5.503 449 1HG ARG 64 HG2 ARG 64 20.571 -6.554 -6.554 450 2HG ARG 64 HG1 ARG 64 21.501 -6.480 -6.480 451 1HD ARG 64 HD2 ARG 64 23.166 -7.916 -7.916 452 2HD ARG 64 HD1 ARG 64 22.722 -7.622 -7.622 453 HE ARG 64 HE ARG 64 21.704 -9.751 -9.751 454 1HH1 ARG 64 HH21 ARG 64 19.189 -8.922 -8.922 455 2HH1 ARG 64 HH22 ARG 64 18.314 -8.905 -8.905 456 1HH2 ARG 64 HH11 ARG 64 21.165 -8.946 -8.946 457 2HH2 ARG 64 HH12 ARG 64 19.433 -8.918 -8.918 458 H LEU 65 HN LEU 65 23.511 -3.024 -3.024 459 HA LEU 65 HA LEU 65 22.970 -2.656 -2.656 460 1HB LEU 65 HB2 LEU 65 24.822 -1.036 -1.036 461 2HB LEU 65 HB1 LEU 65 24.914 -1.187 -1.187 462 HG LEU 65 HG LEU 65 25.417 -3.326 -3.326 463 1HD1 LEU 65 HD12 LEU 65 27.049 -1.574 -1.574 464 2HD1 LEU 65 HD11 LEU 65 27.326 -3.231 -3.231 465 3HD1 LEU 65 HD13 LEU 65 27.564 -2.801 -2.801 466 1HD2 LEU 65 HD23 LEU 65 25.069 -3.637 -3.637 467 2HD2 LEU 65 HD22 LEU 65 24.011 -4.304 -4.304 468 3HD2 LEU 65 HD21 LEU 65 25.665 -4.895 -4.895 469 H THR 66 HN THR 66 23.720 0.243 0.243 470 HA THR 66 HA THR 66 20.944 1.245 1.245 471 HB THR 66 HB THR 66 23.339 2.358 2.358 472 HG1 THR 66 HG1 THR 66 21.697 0.670 0.670 473 1HG2 THR 66 HG22 THR 66 21.050 3.737 3.737 474 2HG2 THR 66 HG21 THR 66 21.111 3.920 3.920 475 3HG2 THR 66 HG23 THR 66 22.492 4.404 4.404 476 H ASP 67 HN ASP 67 24.195 2.578 2.578 477 HA ASP 67 HA ASP 67 24.395 3.096 3.096 478 1HB ASP 67 HB2 ASP 67 22.140 4.659 4.659 479 2HB ASP 67 HB1 ASP 67 23.307 5.620 5.620 480 H GLU 68 HN GLU 68 23.973 5.185 5.185 481 HA GLU 68 HA GLU 68 26.495 6.584 6.584 482 1HB GLU 68 HB2 GLU 68 24.777 7.704 7.704 483 2HB GLU 68 HB1 GLU 68 24.548 6.312 6.312 484 1HG GLU 68 HG2 GLU 68 26.349 6.869 6.869 485 2HG GLU 68 HG1 GLU 68 27.306 7.392 7.392 486 H GLN 69 HN GLN 69 25.795 3.465 3.465 487 HA GLN 69 HA GLN 69 28.135 3.130 3.130 488 1HB GLN 69 HB2 GLN 69 25.496 1.923 1.923 489 2HB GLN 69 HB1 GLN 69 26.824 0.769 0.769 490 1HG GLN 69 HG2 GLN 69 26.535 1.502 1.502 491 2HG GLN 69 HG1 GLN 69 27.734 2.649 2.649 492 1HE2 GLN 69 HE22 GLN 69 25.583 5.396 5.396 493 2HE2 GLN 69 HE21 GLN 69 27.170 4.827 4.827 494 H ILE 70 HN ILE 70 26.612 2.380 2.380 495 HA ILE 70 HA ILE 70 28.355 0.206 0.206 496 HB ILE 70 HB ILE 70 27.165 2.495 2.495 497 1HG1 ILE 70 HG12 ILE 70 25.434 1.022 1.022 498 2HG1 ILE 70 HG11 ILE 70 25.772 0.552 0.552 499 1HG2 ILE 70 HG21 ILE 70 28.996 0.245 0.245 500 2HG2 ILE 70 HG23 ILE 70 27.730 0.691 0.691 501 3HG2 ILE 70 HG22 ILE 70 28.926 1.886 1.886 502 1HD1 ILE 70 HD13 ILE 70 27.346 -1.203 -1.203 503 2HD1 ILE 70 HD12 ILE 70 26.776 -0.807 -0.807 504 3HD1 ILE 70 HD11 ILE 70 25.656 -1.469 -1.469 505 H GLN 71 HN GLN 71 28.624 3.531 3.531 506 HA GLN 71 HA GLN 71 31.349 3.886 3.886 507 1HB GLN 71 HB2 GLN 71 29.083 5.557 5.557 508 2HB GLN 71 HB1 GLN 71 30.713 6.179 6.179 509 1HG GLN 71 HG2 GLN 71 29.589 6.903 6.903 510 2HG GLN 71 HG1 GLN 71 31.157 6.120 6.120 511 1HE2 GLN 71 HE22 GLN 71 27.752 4.193 4.193 512 2HE2 GLN 71 HE21 GLN 71 27.631 5.545 5.545 513 H ASP 72 HN ASP 72 29.589 4.779 4.779 514 HA ASP 72 HA ASP 72 31.696 4.932 4.932 515 1HB ASP 72 HB2 ASP 72 28.773 4.307 4.307 516 2HB ASP 72 HB1 ASP 72 29.830 4.166 4.166 517 H VAL 73 HN VAL 73 29.696 2.089 2.089 518 HA VAL 73 HA VAL 73 30.856 0.278 0.278 519 HB VAL 73 HB VAL 73 28.828 0.059 0.059 520 1HG1 VAL 73 HG11 VAL 73 30.724 -0.071 -0.071 521 2HG1 VAL 73 HG13 VAL 73 30.774 -1.764 -1.764 522 3HG1 VAL 73 HG12 VAL 73 29.274 -1.066 -1.066 523 1HG2 VAL 73 HG23 VAL 73 30.072 -1.568 -1.568 524 2HG2 VAL 73 HG22 VAL 73 28.574 -1.955 -1.955 525 3HG2 VAL 73 HG21 VAL 73 30.116 -2.546 -2.546 526 H ALA 74 HN ALA 74 32.050 1.433 1.433 527 HA ALA 74 HA ALA 74 34.155 -0.606 -0.606 528 1HB ALA 74 HB3 ALA 74 33.532 1.888 1.888 529 2HB ALA 74 HB2 ALA 74 35.066 1.041 1.041 530 3HB ALA 74 HB1 ALA 74 33.548 0.212 0.212 531 H ALA 75 HN ALA 75 34.272 2.974 2.974 532 HA ALA 75 HA ALA 75 36.897 3.159 3.159 533 1HB ALA 75 HB3 ALA 75 34.385 4.779 4.779 534 2HB ALA 75 HB2 ALA 75 35.683 5.129 5.129 535 3HB ALA 75 HB1 ALA 75 35.981 5.265 5.265 536 H TYR 76 HN TYR 76 33.995 1.954 1.954 537 HA TYR 76 HA TYR 76 34.525 2.073 2.073 538 1HB TYR 76 HB2 TYR 76 32.287 1.692 1.692 539 2HB TYR 76 HB1 TYR 76 32.759 0.441 0.441 540 HD1 TYR 76 HD1 TYR 76 32.307 1.218 1.218 541 HD2 TYR 76 HD2 TYR 76 33.053 -1.840 -1.840 542 HE1 TYR 76 HE1 TYR 76 31.866 -0.407 -0.407 543 HE2 TYR 76 HE2 TYR 76 32.585 -3.536 -3.536 544 HH TYR 76 HH TYR 76 31.002 -2.988 -2.988 545 H VAL 77 HN VAL 77 34.984 -0.525 -0.525 546 HA VAL 77 HA VAL 77 36.176 -2.349 -2.349 547 HB VAL 77 HB VAL 77 35.312 -3.247 -3.247 548 1HG1 VAL 77 HG11 VAL 77 36.937 -1.082 -1.082 549 2HG1 VAL 77 HG13 VAL 77 36.433 -2.479 -2.479 550 3HG1 VAL 77 HG12 VAL 77 35.220 -1.436 -1.436 551 1HG2 VAL 77 HG23 VAL 77 37.915 -3.729 -3.729 552 2HG2 VAL 77 HG22 VAL 77 37.037 -4.685 -4.685 553 3HG2 VAL 77 HG21 VAL 77 38.099 -3.382 -3.382 554 H LEU 78 HN LEU 78 37.232 0.472 0.472 555 HA LEU 78 HA LEU 78 40.098 -0.177 -0.177 556 1HB LEU 78 HB2 LEU 78 38.944 2.601 2.601 557 2HB LEU 78 HB1 LEU 78 40.471 1.978 1.978 558 HG LEU 78 HG LEU 78 37.678 1.471 1.471 559 1HD1 LEU 78 HD12 LEU 78 40.308 2.369 2.369 560 2HD1 LEU 78 HD11 LEU 78 38.879 1.987 1.987 561 3HD1 LEU 78 HD13 LEU 78 38.836 3.322 3.322 562 1HD2 LEU 78 HD21 LEU 78 38.767 -0.739 -0.739 563 2HD2 LEU 78 HD23 LEU 78 38.598 -0.303 -0.303 564 3HD2 LEU 78 HD22 LEU 78 40.162 -0.151 -0.151 565 H ASP 79 HN ASP 79 37.693 0.963 0.963 566 HA ASP 79 HA ASP 79 39.571 2.270 2.270 567 1HB ASP 79 HB2 ASP 79 37.013 2.878 2.878 568 2HB ASP 79 HB1 ASP 79 36.724 1.889 1.889 569 H GLN 80 HN GLN 80 37.474 -0.505 -0.505 570 HA GLN 80 HA GLN 80 37.918 -1.471 -1.471 571 1HB GLN 80 HB2 GLN 80 36.752 -2.974 -2.974 572 2HB GLN 80 HB1 GLN 80 36.382 -3.118 -3.118 573 1HG GLN 80 HG2 GLN 80 35.895 -0.436 -0.436 574 2HG GLN 80 HG1 GLN 80 34.933 -1.685 -1.685 575 1HE2 GLN 80 HE22 GLN 80 33.517 -0.424 -0.424 576 2HE2 GLN 80 HE21 GLN 80 34.322 0.467 0.467 577 H ALA 81 HN ALA 81 39.003 -2.251 -2.251 578 HA ALA 81 HA ALA 81 40.376 -4.651 -4.651 579 1HB ALA 81 HB2 ALA 81 40.791 -2.353 -2.353 580 2HB ALA 81 HB1 ALA 81 42.034 -3.599 -3.599 581 3HB ALA 81 HB3 ALA 81 40.390 -4.031 -4.031 582 H ALA 82 HN ALA 82 41.300 -1.358 -1.358 583 HA ALA 82 HA ALA 82 43.972 -2.128 -2.128 584 1HB ALA 82 HB3 ALA 82 42.383 0.421 0.421 585 2HB ALA 82 HB2 ALA 82 44.044 0.229 0.229 586 3HB ALA 82 HB1 ALA 82 43.679 0.118 0.118 587 H LYS 83 HN LYS 83 40.841 -1.745 -1.745 588 HA LYS 83 HA LYS 83 41.540 -3.243 -3.243 589 1HB LYS 83 HB2 LYS 83 42.166 -1.693 -1.693 590 2HB LYS 83 HB1 LYS 83 42.869 -0.931 -0.931 591 1HG LYS 83 HG2 LYS 83 40.121 -0.286 -0.286 592 2HG LYS 83 HG1 LYS 83 41.569 0.694 0.694 593 1HD LYS 83 HD2 LYS 83 41.211 0.151 0.151 594 2HD LYS 83 HD1 LYS 83 39.727 0.834 0.834 595 1HE LYS 83 HE2 LYS 83 42.066 2.202 2.202 596 2HE LYS 83 HE1 LYS 83 42.063 2.236 2.236 597 1HZ LYS 83 HZ3 LYS 83 39.543 2.787 2.787 598 2HZ LYS 83 HZ2 LYS 83 40.742 3.991 3.991 599 3HZ LYS 83 HZ1 LYS 83 40.159 3.437 3.437 600 H GLY 84 HN GLY 84 39.485 -0.875 -0.875 601 1HA GLY 84 HA2 GLY 84 37.427 -0.720 -0.720 602 2HA GLY 84 HA1 GLY 84 37.195 -0.441 -0.441 603 H TRP 85 HN TRP 85 38.415 -3.375 -3.375 604 HA TRP 85 HA TRP 85 35.898 -4.603 -4.603 605 1HB TRP 85 HB2 TRP 85 38.668 -5.774 -5.774 606 2HB TRP 85 HB1 TRP 85 37.249 -6.807 -6.807 607 HD1 TRP 85 HD1 TRP 85 39.704 -6.016 -6.016 608 HE1 TRP 85 HE1 TRP 85 38.903 -5.406 -5.406 609 HE3 TRP 85 HE3 TRP 85 34.841 -4.966 -4.966 610 HZ2 TRP 85 HZ2 TRP 85 36.514 -4.527 -4.527 611 HZ3 TRP 85 HZ3 TRP 85 33.364 -4.199 -4.199 612 HH2 TRP 85 HH2 TRP 85 34.147 -3.957 -3.957 613 H ALA 86 HN ALA 86 34.771 -4.303 -4.303 614 HA ALA 86 HA ALA 86 35.686 -4.667 -4.667 615 1HB ALA 86 HB3 ALA 86 33.344 -3.982 -3.982 616 2HB ALA 86 HB2 ALA 86 32.994 -5.686 -5.686 617 3HB ALA 86 HB1 ALA 86 33.405 -5.139 -5.139 618 H GLY 87 HN GLY 87 35.114 -7.075 -7.075 619 1HA GLY 87 HA2 GLY 87 35.342 -9.415 -9.415 620 2HA GLY 87 HA1 GLY 87 36.690 -9.072 -9.072 621 HHA HEC 88 HA HEM 88 36.433 -11.120 -11.120 622 HHB HEC 88 HB HEM 88 34.268 -6.062 -6.062 623 HHC HEC 88 HC HEM 88 28.598 -8.886 -8.886 624 HHD HEC 88 HD HEM 88 31.006 -14.153 -14.153 625 1HMA HEC 88 HMA1 HEM 88 36.266 -5.807 -5.807 626 2HMA HEC 88 HMA2 HEM 88 37.029 -5.778 -5.778 627 3HMA HEC 88 HMA3 HEM 88 37.801 -6.713 -6.713 628 1HAA HEC 88 HAA1 HEM 88 38.599 -8.395 -8.395 629 2HAA HEC 88 HAA2 HEM 88 38.008 -9.894 -9.894 630 1HBA HEC 88 HBA1 HEM 88 36.912 -8.383 -8.383 631 2HBA HEC 88 HBA2 HEM 88 37.870 -7.019 -7.019 632 1HMB HEC 88 HMB1 HEM 88 31.790 -5.022 -5.022 633 2HMB HEC 88 HMB2 HEM 88 31.473 -4.227 -4.227 634 3HMB HEC 88 HMB3 HEM 88 33.122 -4.864 -4.864 635 HAB HEC 88 HAB HEM 88 28.350 -7.043 -7.043 636 1HBB HEC 88 HBB1 HEM 88 29.066 -4.162 -4.162 637 2HBB HEC 88 HBB2 HEM 88 29.647 -5.200 -5.200 638 3HBB HEC 88 HBB3 HEM 88 27.895 -5.173 -5.173 639 1HMC HEC 88 HMC1 HEM 88 26.609 -12.054 -12.054 640 2HMC HEC 88 HMC2 HEM 88 27.255 -11.202 -11.202 641 3HMC HEC 88 HMC3 HEM 88 26.860 -10.263 -10.263 642 HAC HEC 88 HAC HEM 88 29.436 -14.627 -14.627 643 1HBC HEC 88 HBC1 HEM 88 27.516 -13.656 -13.656 644 2HBC HEC 88 HBC2 HEM 88 27.277 -15.261 -15.261 645 3HBC HEC 88 HBC3 HEM 88 26.502 -13.788 -13.788 646 1HMD HEC 88 HMD1 HEM 88 33.508 -15.902 -15.902 647 2HMD HEC 88 HMD2 HEM 88 32.077 -15.304 -15.304 648 3HMD HEC 88 HMD3 HEM 88 33.681 -15.473 -15.473 649 1HAD HEC 88 HAD1 HEM 88 36.258 -14.551 -14.551 650 2HAD HEC 88 HAD2 HEM 88 36.656 -12.880 -12.880 651 1HBD HEC 88 HBD1 HEM 88 35.419 -15.164 -15.164 652 2HBD HEC 88 HBD2 HEM 88 34.642 -13.554 -13.554 Start of MODEL 11 1 1H ALA 1 HT2 ALA 1 32.317 8.464 8.464 2 2H ALA 1 HT1 ALA 1 33.277 9.520 9.520 3 3H ALA 1 HT3 ALA 1 31.821 8.926 8.926 4 HA ALA 1 HA ALA 1 31.179 11.017 11.017 5 1HB ALA 1 HB3 ALA 1 33.553 10.980 10.980 6 2HB ALA 1 HB2 ALA 1 32.360 11.026 11.026 7 3HB ALA 1 HB1 ALA 1 32.369 12.285 12.285 8 H ASP 2 HN ASP 2 31.682 9.015 9.015 9 HA ASP 2 HA ASP 2 28.706 8.919 8.919 10 1HB ASP 2 HB2 ASP 2 30.745 9.068 9.068 11 2HB ASP 2 HB1 ASP 2 28.991 8.985 8.985 12 H LEU 3 HN LEU 3 31.729 7.191 7.191 13 HA LEU 3 HA LEU 3 30.757 4.830 4.830 14 1HB LEU 3 HB2 LEU 3 32.998 5.064 5.064 15 2HB LEU 3 HB1 LEU 3 32.726 3.704 3.704 16 HG LEU 3 HG LEU 3 33.710 6.473 6.473 17 1HD1 LEU 3 HD11 LEU 3 35.186 4.430 4.430 18 2HD1 LEU 3 HD13 LEU 3 34.420 3.765 3.765 19 3HD1 LEU 3 HD12 LEU 3 35.358 5.256 5.256 20 1HD2 LEU 3 HD21 LEU 3 31.679 6.116 6.116 21 2HD2 LEU 3 HD23 LEU 3 33.167 6.170 6.170 22 3HD2 LEU 3 HD22 LEU 3 32.400 4.621 4.621 23 H ALA 4 HN ALA 4 29.906 6.196 6.196 24 HA ALA 4 HA ALA 4 29.608 3.916 3.916 25 1HB ALA 4 HB2 ALA 4 28.883 6.651 6.651 26 2HB ALA 4 HB1 ALA 4 27.374 5.749 5.749 27 3HB ALA 4 HB3 ALA 4 28.695 5.461 5.461 28 H ASN 5 HN ASN 5 27.950 5.198 5.198 29 HA ASN 5 HA ASN 5 25.570 3.564 3.564 30 1HB ASN 5 HB2 ASN 5 26.746 5.604 5.604 31 2HB ASN 5 HB1 ASN 5 26.141 4.278 4.278 32 1HD2 ASN 5 HD22 ASN 5 23.233 5.698 5.698 33 2HD2 ASN 5 HD21 ASN 5 24.714 5.140 5.140 34 H GLY 6 HN GLY 6 28.752 3.348 3.348 35 1HA GLY 6 HA2 GLY 6 28.424 1.103 1.103 36 2HA GLY 6 HA1 GLY 6 29.912 1.433 1.433 37 H ALA 7 HN ALA 7 29.367 1.037 1.037 38 HA ALA 7 HA ALA 7 29.246 -1.733 -1.733 39 1HB ALA 7 HB2 ALA 7 29.158 0.636 0.636 40 2HB ALA 7 HB1 ALA 7 28.180 -0.680 -0.680 41 3HB ALA 7 HB3 ALA 7 29.890 -0.939 -0.939 42 H LYS 8 HN LYS 8 26.623 0.648 0.648 43 HA LYS 8 HA LYS 8 24.558 -1.048 -1.048 44 1HB LYS 8 HB2 LYS 8 23.791 1.127 1.127 45 2HB LYS 8 HB1 LYS 8 24.699 1.442 1.442 46 1HG LYS 8 HG2 LYS 8 22.480 -0.538 -0.538 47 2HG LYS 8 HG1 LYS 8 22.010 1.143 1.143 48 1HD LYS 8 HD2 LYS 8 23.722 0.022 0.022 49 2HD LYS 8 HD1 LYS 8 22.130 0.757 0.757 50 1HE LYS 8 HE2 LYS 8 23.762 2.636 2.636 51 2HE LYS 8 HE1 LYS 8 24.703 2.027 2.027 52 1HZ LYS 8 HZ3 LYS 8 22.542 2.379 2.379 53 2HZ LYS 8 HZ2 LYS 8 22.082 3.379 3.379 54 3HZ LYS 8 HZ1 LYS 8 23.475 3.739 3.739 55 H VAL 9 HN VAL 9 25.919 -0.567 -0.567 56 HA VAL 9 HA VAL 9 24.086 -2.491 -2.491 57 HB VAL 9 HB VAL 9 26.537 -1.012 -1.012 58 1HG1 VAL 9 HG12 VAL 9 26.383 -3.315 -3.315 59 2HG1 VAL 9 HG11 VAL 9 24.796 -2.859 -2.859 60 3HG1 VAL 9 HG13 VAL 9 26.236 -1.991 -1.991 61 1HG2 VAL 9 HG22 VAL 9 23.575 -0.804 -0.804 62 2HG2 VAL 9 HG21 VAL 9 24.769 0.476 0.476 63 3HG2 VAL 9 HG23 VAL 9 24.589 -0.288 -0.288 64 H PHE 10 HN PHE 10 27.661 -2.485 -2.485 65 HA PHE 10 HA PHE 10 28.141 -5.113 -5.113 66 1HB PHE 10 HB2 PHE 10 29.939 -3.505 -3.505 67 2HB PHE 10 HB1 PHE 10 29.537 -3.505 -3.505 68 HD1 PHE 10 HD1 PHE 10 29.649 -5.622 -5.622 69 HD2 PHE 10 HD2 PHE 10 31.309 -5.280 -5.280 70 HE1 PHE 10 HE1 PHE 10 30.953 -7.659 -7.659 71 HE2 PHE 10 HE2 PHE 10 32.617 -7.347 -7.347 72 HZ PHE 10 HZ PHE 10 32.450 -8.542 -8.542 73 H SER 11 HN SER 11 26.707 -3.960 -3.960 74 HA SER 11 HA SER 11 27.056 -6.575 -6.575 75 1HB SER 11 HB2 SER 11 25.759 -3.988 -3.988 76 2HB SER 11 HB1 SER 11 25.819 -5.452 -5.452 77 HG SER 11 HG SER 11 27.684 -3.597 -3.597 78 H GLY 12 HN GLY 12 25.443 -6.377 -6.377 79 1HA GLY 12 HA2 GLY 12 23.135 -7.822 -7.822 80 2HA GLY 12 HA1 GLY 12 22.699 -6.229 -6.229 81 H ASN 13 HN ASN 13 24.887 -6.330 -6.330 82 HA ASN 13 HA ASN 13 23.579 -8.291 -8.291 83 1HB ASN 13 HB2 ASN 13 25.063 -5.839 -5.839 84 2HB ASN 13 HB1 ASN 13 23.784 -6.732 -6.732 85 1HD2 ASN 13 HD22 ASN 13 22.824 -3.832 -3.832 86 2HD2 ASN 13 HD21 ASN 13 24.441 -4.333 -4.333 87 H CYS 14 HN CYS 14 26.597 -6.558 -6.558 88 HA CYS 14 HA CYS 14 28.220 -8.399 -8.399 89 1HB CYS 14 HB2 CYS 14 29.237 -6.516 -6.516 90 2HB CYS 14 HB1 CYS 14 30.025 -7.012 -7.012 91 H ALA 15 HN ALA 15 27.152 -8.100 -8.100 92 HA ALA 15 HA ALA 15 29.027 -9.664 -9.664 93 1HB ALA 15 HB3 ALA 15 26.180 -8.962 -8.962 94 2HB ALA 15 HB2 ALA 15 26.718 -10.406 -10.406 95 3HB ALA 15 HB1 ALA 15 27.520 -8.861 -8.861 96 H ALA 16 HN ALA 16 26.447 -10.675 -10.675 97 HA ALA 16 HA ALA 16 26.282 -13.410 -13.410 98 1HB ALA 16 HB3 ALA 16 25.920 -11.972 -11.972 99 2HB ALA 16 HB2 ALA 16 25.637 -13.705 -13.705 100 3HB ALA 16 HB1 ALA 16 24.675 -12.559 -12.559 101 H CYS 17 HN CYS 17 28.500 -11.840 -11.840 102 HA CYS 17 HA CYS 17 30.006 -14.410 -14.410 103 1HB CYS 17 HB2 CYS 17 29.529 -12.218 -12.218 104 2HB CYS 17 HB1 CYS 17 31.090 -13.014 -13.014 105 H HIS 18 HN HIS 18 30.213 -12.230 -12.230 106 HA HIS 18 HA HIS 18 33.144 -12.056 -12.056 107 1HB HIS 18 HB2 HIS 18 31.357 -9.600 -9.600 108 2HB HIS 18 HB1 HIS 18 33.092 -9.584 -9.584 109 HD1 HIS 18 HD1 HIS 18 34.629 -10.451 -10.451 110 HD2 HIS 18 HD2 HIS 18 30.665 -9.852 -9.852 111 HE1 HIS 18 HE1 HIS 18 34.573 -10.509 -10.509 112 H MET 19 HN MET 19 30.709 -10.101 -10.101 113 HA MET 19 HA MET 19 30.383 -9.702 -9.702 114 1HB MET 19 HB2 MET 19 29.865 -12.385 -12.385 115 2HB MET 19 HB1 MET 19 30.682 -12.382 -12.382 116 1HG MET 19 HG2 MET 19 29.022 -11.097 -11.097 117 2HG MET 19 HG1 MET 19 28.472 -10.419 -10.419 118 1HE MET 19 HE2 MET 19 27.557 -11.961 -11.961 119 2HE MET 19 HE1 MET 19 26.319 -13.168 -13.168 120 3HE MET 19 HE3 MET 19 28.016 -13.651 -13.651 121 H GLY 20 HN GLY 20 32.064 -8.639 -8.639 122 1HA GLY 20 HA2 GLY 20 33.861 -8.469 -8.469 123 2HA GLY 20 HA1 GLY 20 33.949 -10.230 -10.230 124 H GLY 21 HN GLY 21 34.184 -8.047 -8.047 125 1HA GLY 21 HA2 GLY 21 35.789 -8.070 -8.070 126 2HA GLY 21 HA1 GLY 21 36.897 -7.819 -7.819 127 H GLY 22 HN GLY 22 34.932 -10.712 -10.712 128 1HA GLY 22 HA2 GLY 22 37.455 -12.212 -12.212 129 2HA GLY 22 HA1 GLY 22 36.269 -12.826 -12.826 130 H ASN 23 HN ASN 23 36.945 -12.273 -12.273 131 HA ASN 23 HA ASN 23 34.505 -12.874 -12.874 132 1HB ASN 23 HB2 ASN 23 37.122 -12.594 -12.594 133 2HB ASN 23 HB1 ASN 23 36.777 -14.280 -14.280 134 1HD2 ASN 23 HD22 ASN 23 35.631 -12.070 -12.070 135 2HD2 ASN 23 HD21 ASN 23 37.124 -12.264 -12.264 136 H VAL 24 HN VAL 24 33.936 -15.064 -15.064 137 HA VAL 24 HA VAL 24 34.769 -17.388 -17.388 138 HB VAL 24 HB VAL 24 32.200 -17.991 -17.991 139 1HG1 VAL 24 HG13 VAL 24 33.992 -16.954 -16.954 140 2HG1 VAL 24 HG12 VAL 24 32.568 -15.925 -15.925 141 3HG1 VAL 24 HG11 VAL 24 32.420 -17.672 -17.672 142 1HG2 VAL 24 HG21 VAL 24 32.151 -15.414 -15.414 143 2HG2 VAL 24 HG23 VAL 24 30.768 -16.339 -16.339 144 3HG2 VAL 24 HG22 VAL 24 31.589 -15.205 -15.205 145 H VAL 25 HN VAL 25 32.185 -16.789 -16.789 146 HA VAL 25 HA VAL 25 32.317 -19.200 -19.200 147 HB VAL 25 HB VAL 25 30.638 -17.729 -17.729 148 1HG1 VAL 25 HG13 VAL 25 32.852 -15.723 -15.723 149 2HG1 VAL 25 HG12 VAL 25 31.172 -15.475 -15.475 150 3HG1 VAL 25 HG11 VAL 25 31.586 -15.628 -15.628 151 1HG2 VAL 25 HG22 VAL 25 32.404 -18.801 -18.801 152 2HG2 VAL 25 HG21 VAL 25 30.790 -18.181 -18.181 153 3HG2 VAL 25 HG23 VAL 25 32.198 -17.136 -17.136 154 H MET 26 HN MET 26 34.509 -16.423 -16.423 155 HA MET 26 HA MET 26 35.935 -17.447 -17.447 156 1HB MET 26 HB2 MET 26 37.929 -16.169 -16.169 157 2HB MET 26 HB1 MET 26 36.592 -15.281 -15.281 158 1HG MET 26 HG2 MET 26 37.234 -14.591 -14.591 159 2HG MET 26 HG1 MET 26 35.530 -14.948 -14.948 160 1HE MET 26 HE3 MET 26 38.790 -15.703 -15.703 161 2HE MET 26 HE2 MET 26 38.187 -15.700 -15.700 162 3HE MET 26 HE1 MET 26 38.779 -17.200 -17.200 163 H ALA 27 HN ALA 27 38.581 -17.816 -17.816 164 HA ALA 27 HA ALA 27 38.486 -20.245 -20.245 165 1HB ALA 27 HB1 ALA 27 38.766 -20.820 -20.820 166 2HB ALA 27 HB3 ALA 27 40.198 -19.791 -19.791 167 3HB ALA 27 HB2 ALA 27 40.200 -21.240 -21.240 168 H ASN 28 HN ASN 28 39.548 -17.159 -17.159 169 HA ASN 28 HA ASN 28 41.371 -17.460 -17.460 170 1HB ASN 28 HB2 ASN 28 43.524 -17.208 -17.208 171 2HB ASN 28 HB1 ASN 28 42.733 -18.481 -18.481 172 1HD2 ASN 28 HD22 ASN 28 42.108 -16.176 -16.176 173 2HD2 ASN 28 HD21 ASN 28 41.244 -17.321 -17.321 174 H LYS 29 HN LYS 29 40.332 -15.555 -15.555 175 HA LYS 29 HA LYS 29 41.400 -13.042 -13.042 176 1HB LYS 29 HB2 LYS 29 39.393 -14.043 -14.043 177 2HB LYS 29 HB1 LYS 29 38.640 -12.742 -12.742 178 1HG LYS 29 HG2 LYS 29 40.031 -11.132 -11.132 179 2HG LYS 29 HG1 LYS 29 41.386 -12.249 -12.249 180 1HD LYS 29 HD2 LYS 29 38.948 -12.667 -12.667 181 2HD LYS 29 HD1 LYS 29 40.097 -11.407 -11.407 182 1HE LYS 29 HE2 LYS 29 41.471 -13.862 -13.862 183 2HE LYS 29 HE1 LYS 29 40.311 -14.147 -14.147 184 1HZ LYS 29 HZ3 LYS 29 41.281 -12.270 -12.270 185 2HZ LYS 29 HZ2 LYS 29 42.429 -12.065 -12.065 186 3HZ LYS 29 HZ1 LYS 29 42.429 -13.483 -13.483 187 H THR 30 HN THR 30 40.959 -11.471 -11.471 188 HA THR 30 HA THR 30 38.740 -12.011 -12.011 189 HB THR 30 HB THR 30 41.309 -10.598 -10.598 190 HG1 THR 30 HG1 THR 30 40.739 -13.371 -13.371 191 1HG2 THR 30 HG21 THR 30 38.943 -11.704 -11.704 192 2HG2 THR 30 HG23 THR 30 40.504 -11.874 -11.874 193 3HG2 THR 30 HG22 THR 30 39.908 -10.273 -10.273 194 H LEU 31 HN LEU 31 38.435 -9.764 -9.764 195 HA LEU 31 HA LEU 31 38.022 -7.689 -7.689 196 1HB LEU 31 HB2 LEU 31 36.643 -8.443 -8.443 197 2HB LEU 31 HB1 LEU 31 36.739 -6.712 -6.712 198 HG LEU 31 HG LEU 31 34.826 -8.499 -8.499 199 1HD1 LEU 31 HD12 LEU 31 35.454 -5.720 -5.720 200 2HD1 LEU 31 HD11 LEU 31 34.936 -6.184 -6.184 201 3HD1 LEU 31 HD13 LEU 31 33.885 -6.490 -6.490 202 1HD2 LEU 31 HD23 LEU 31 36.573 -9.245 -9.245 203 2HD2 LEU 31 HD22 LEU 31 35.104 -8.573 -8.573 204 3HD2 LEU 31 HD21 LEU 31 36.561 -7.597 -7.597 205 H LYS 32 HN LYS 32 39.979 -8.442 -8.442 206 HA LYS 32 HA LYS 32 40.497 -5.894 -5.894 207 1HB LYS 32 HB2 LYS 32 42.390 -8.232 -8.232 208 2HB LYS 32 HB1 LYS 32 42.732 -6.826 -6.826 209 1HG LYS 32 HG2 LYS 32 41.176 -7.422 -7.422 210 2HG LYS 32 HG1 LYS 32 40.140 -8.247 -8.247 211 1HD LYS 32 HD2 LYS 32 41.189 -9.907 -9.907 212 2HD LYS 32 HD1 LYS 32 41.855 -10.056 -10.056 213 1HE LYS 32 HE2 LYS 32 43.222 -8.244 -8.244 214 2HE LYS 32 HE1 LYS 32 43.464 -9.984 -9.984 215 1HZ LYS 32 HZ1 LYS 32 43.749 -9.572 -9.572 216 2HZ LYS 32 HZ3 LYS 32 44.420 -8.151 -8.151 217 3HZ LYS 32 HZ2 LYS 32 45.033 -9.662 -9.662 218 H LYS 33 HN LYS 33 43.212 -7.268 -7.268 219 HA LYS 33 HA LYS 33 43.145 -5.564 -5.564 220 1HB LYS 33 HB2 LYS 33 44.949 -3.964 -3.964 221 2HB LYS 33 HB1 LYS 33 43.358 -3.696 -3.696 222 1HG LYS 33 HG2 LYS 33 43.998 -4.554 -4.554 223 2HG LYS 33 HG1 LYS 33 45.319 -5.499 -5.499 224 1HD LYS 33 HD2 LYS 33 46.155 -3.027 -3.027 225 2HD LYS 33 HD1 LYS 33 45.252 -2.631 -2.631 226 1HE LYS 33 HE2 LYS 33 47.265 -4.885 -4.885 227 2HE LYS 33 HE1 LYS 33 47.733 -3.228 -3.228 228 1HZ LYS 33 HZ3 LYS 33 45.486 -3.771 -3.771 229 2HZ LYS 33 HZ2 LYS 33 46.474 -5.146 -5.146 230 3HZ LYS 33 HZ1 LYS 33 47.082 -3.614 -3.614 231 H GLU 34 HN GLU 34 45.053 -7.247 -7.247 232 HA GLU 34 HA GLU 34 47.542 -7.452 -7.452 233 1HB GLU 34 HB2 GLU 34 47.761 -9.631 -9.631 234 2HB GLU 34 HB1 GLU 34 46.941 -8.482 -8.482 235 1HG GLU 34 HG2 GLU 34 44.758 -9.408 -9.408 236 2HG GLU 34 HG1 GLU 34 45.572 -10.550 -10.550 237 H ALA 35 HN ALA 35 44.607 -9.209 -9.209 238 HA ALA 35 HA ALA 35 46.071 -10.483 -10.483 239 1HB ALA 35 HB2 ALA 35 44.875 -11.983 -11.983 240 2HB ALA 35 HB1 ALA 35 43.363 -11.182 -11.182 241 3HB ALA 35 HB3 ALA 35 44.252 -12.098 -12.098 242 H LEU 36 HN LEU 36 42.763 -9.226 -9.226 243 HA LEU 36 HA LEU 36 41.893 -8.986 -8.986 244 1HB LEU 36 HB2 LEU 36 40.702 -6.847 -6.847 245 2HB LEU 36 HB1 LEU 36 40.405 -8.266 -8.266 246 HG LEU 36 HG LEU 36 42.681 -6.466 -6.466 247 1HD1 LEU 36 HD12 LEU 36 40.689 -4.984 -4.984 248 2HD1 LEU 36 HD11 LEU 36 39.794 -5.938 -5.938 249 3HD1 LEU 36 HD13 LEU 36 41.201 -5.010 -5.010 250 1HD2 LEU 36 HD21 LEU 36 41.256 -8.675 -8.675 251 2HD2 LEU 36 HD23 LEU 36 42.662 -7.832 -7.832 252 3HD2 LEU 36 HD22 LEU 36 41.039 -7.275 -7.275 253 H GLU 37 HN GLU 37 44.350 -6.977 -6.977 254 HA GLU 37 HA GLU 37 44.565 -5.382 -5.382 255 1HB GLU 37 HB2 GLU 37 44.871 -4.578 -4.578 256 2HB GLU 37 HB1 GLU 37 46.548 -4.982 -4.982 257 1HG GLU 37 HG2 GLU 37 45.279 -3.597 -3.597 258 2HG GLU 37 HG1 GLU 37 45.159 -2.639 -2.639 259 H GLN 38 HN GLN 38 46.258 -7.883 -7.883 260 HA GLN 38 HA GLN 38 48.762 -8.044 -8.044 261 1HB GLN 38 HB2 GLN 38 47.500 -9.632 -9.632 262 2HB GLN 38 HB1 GLN 38 46.804 -10.344 -10.344 263 1HG GLN 38 HG2 GLN 38 48.838 -11.459 -11.459 264 2HG GLN 38 HG1 GLN 38 48.914 -11.041 -11.041 265 1HE2 GLN 38 HE22 GLN 38 51.451 -8.547 -8.547 266 2HE2 GLN 38 HE21 GLN 38 50.246 -9.111 -9.111 267 H PHE 39 HN PHE 39 45.697 -8.583 -8.583 268 HA PHE 39 HA PHE 39 46.846 -9.468 -9.468 269 1HB PHE 39 HB2 PHE 39 43.988 -8.617 -8.617 270 2HB PHE 39 HB1 PHE 39 44.651 -9.906 -9.906 271 HD1 PHE 39 HD1 PHE 39 45.783 -11.901 -11.901 272 HD2 PHE 39 HD2 PHE 39 43.009 -9.125 -9.125 273 HE1 PHE 39 HE1 PHE 39 45.328 -13.507 -13.507 274 HE2 PHE 39 HE2 PHE 39 42.565 -10.721 -10.721 275 HZ PHE 39 HZ PHE 39 43.720 -12.919 -12.919 276 H GLY 40 HN GLY 40 44.964 -6.711 -6.711 277 1HA GLY 40 HA2 GLY 40 46.015 -4.494 -4.494 278 2HA GLY 40 HA1 GLY 40 46.031 -5.133 -5.133 279 H MET 41 HN MET 41 43.674 -4.694 -4.694 280 HA MET 41 HA MET 41 41.896 -3.135 -3.135 281 1HB MET 41 HB2 MET 41 40.193 -5.322 -5.322 282 2HB MET 41 HB1 MET 41 40.824 -4.792 -4.792 283 1HG MET 41 HG2 MET 41 42.634 -6.314 -6.314 284 2HG MET 41 HG1 MET 41 42.454 -6.565 -6.565 285 1HE MET 41 HE2 MET 41 40.826 -6.433 -6.433 286 2HE MET 41 HE1 MET 41 40.300 -8.074 -8.074 287 3HE MET 41 HE3 MET 41 39.199 -6.947 -6.947 288 H TYR 42 HN TYR 42 43.041 -3.440 -3.440 289 HA TYR 42 HA TYR 42 40.564 -3.602 -3.602 290 1HB TYR 42 HB2 TYR 42 42.322 -4.719 -4.719 291 2HB TYR 42 HB1 TYR 42 43.516 -3.542 -3.542 292 HD1 TYR 42 HD1 TYR 42 40.269 -3.229 -3.229 293 HD2 TYR 42 HD2 TYR 42 44.497 -2.471 -2.471 294 HE1 TYR 42 HE1 TYR 42 40.106 -2.030 -2.030 295 HE2 TYR 42 HE2 TYR 42 44.332 -1.269 -1.269 296 HH TYR 42 HH TYR 42 42.376 -1.513 -1.513 297 H SER 43 HN SER 43 41.255 -1.392 -1.392 298 HA SER 43 HA SER 43 41.368 0.938 0.938 299 1HB SER 43 HB2 SER 43 42.059 2.245 2.245 300 2HB SER 43 HB1 SER 43 42.958 0.730 0.730 301 HG SER 43 HG SER 43 40.878 1.705 1.705 302 H GLU 44 HN GLU 44 39.906 2.799 2.799 303 HA GLU 44 HA GLU 44 37.200 2.160 2.160 304 1HB GLU 44 HB2 GLU 44 38.727 4.584 4.584 305 2HB GLU 44 HB1 GLU 44 36.997 4.521 4.521 306 1HG GLU 44 HG2 GLU 44 36.963 3.680 3.680 307 2HG GLU 44 HG1 GLU 44 38.410 4.686 4.686 308 H ASP 45 HN ASP 45 38.668 3.530 3.530 309 HA ASP 45 HA ASP 45 36.619 2.791 2.791 310 1HB ASP 45 HB2 ASP 45 38.676 4.175 4.175 311 2HB ASP 45 HB1 ASP 45 39.496 2.641 2.641 312 H ALA 46 HN ALA 46 38.935 0.719 0.719 313 HA ALA 46 HA ALA 46 38.688 -1.480 -1.480 314 1HB ALA 46 HB1 ALA 46 40.627 -1.109 -1.109 315 2HB ALA 46 HB3 ALA 46 39.560 -1.662 -1.662 316 3HB ALA 46 HB2 ALA 46 39.980 -2.749 -2.749 317 H ILE 47 HN ILE 47 37.789 -1.556 -1.556 318 HA ILE 47 HA ILE 47 35.876 -3.640 -3.640 319 HB ILE 47 HB ILE 47 37.015 -2.963 -2.963 320 1HG1 ILE 47 HG12 ILE 47 33.988 -3.023 -3.023 321 2HG1 ILE 47 HG11 ILE 47 35.059 -4.416 -4.416 322 1HG2 ILE 47 HG23 ILE 47 35.805 -0.471 -0.471 323 2HG2 ILE 47 HG22 ILE 47 35.108 -1.042 -1.042 324 3HG2 ILE 47 HG21 ILE 47 36.855 -0.852 -0.852 325 1HD1 ILE 47 HD11 ILE 47 36.054 -3.245 -3.245 326 2HD1 ILE 47 HD13 ILE 47 34.647 -2.187 -2.187 327 3HD1 ILE 47 HD12 ILE 47 34.431 -3.912 -3.912 328 H ILE 48 HN ILE 48 35.723 -0.341 -0.341 329 HA ILE 48 HA ILE 48 32.860 0.025 0.025 330 HB ILE 48 HB ILE 48 35.007 1.585 1.585 331 1HG1 ILE 48 HG12 ILE 48 33.240 2.286 2.286 332 2HG1 ILE 48 HG11 ILE 48 34.893 1.694 1.694 333 1HG2 ILE 48 HG23 ILE 48 32.253 1.583 1.583 334 2HG2 ILE 48 HG22 ILE 48 32.537 3.032 3.032 335 3HG2 ILE 48 HG21 ILE 48 33.462 2.761 2.761 336 1HD1 ILE 48 HD13 ILE 48 35.642 3.634 3.634 337 2HD1 ILE 48 HD12 ILE 48 33.988 4.245 4.245 338 3HD1 ILE 48 HD11 ILE 48 34.919 4.125 4.125 339 H TYR 49 HN TYR 49 35.034 -1.071 -1.071 340 HA TYR 49 HA TYR 49 32.793 -1.388 -1.388 341 1HB TYR 49 HB2 TYR 49 34.902 -0.537 -0.537 342 2HB TYR 49 HB1 TYR 49 35.765 -1.936 -1.936 343 HD1 TYR 49 HD1 TYR 49 35.269 -4.224 -4.224 344 HD2 TYR 49 HD2 TYR 49 33.564 -0.696 -0.696 345 HE1 TYR 49 HE1 TYR 49 34.643 -5.528 -5.528 346 HE2 TYR 49 HE2 TYR 49 32.937 -1.999 -1.999 347 HH TYR 49 HH TYR 49 32.848 -4.019 -4.019 348 H GLN 50 HN GLN 50 34.520 -3.094 -3.094 349 HA GLN 50 HA GLN 50 33.895 -5.750 -5.750 350 1HB GLN 50 HB2 GLN 50 35.934 -6.000 -6.000 351 2HB GLN 50 HB1 GLN 50 35.667 -4.656 -4.656 352 1HG GLN 50 HG2 GLN 50 35.593 -6.326 -6.326 353 2HG GLN 50 HG1 GLN 50 33.916 -6.452 -6.452 354 1HE2 GLN 50 HE22 GLN 50 34.841 -9.886 -9.886 355 2HE2 GLN 50 HE21 GLN 50 34.134 -8.809 -8.809 356 H VAL 51 HN VAL 51 32.439 -3.352 -3.352 357 HA VAL 51 HA VAL 51 30.657 -5.251 -5.251 358 HB VAL 51 HB VAL 51 31.128 -2.270 -2.270 359 1HG1 VAL 51 HG13 VAL 51 29.036 -4.049 -4.049 360 2HG1 VAL 51 HG12 VAL 51 29.532 -2.527 -2.527 361 3HG1 VAL 51 HG11 VAL 51 28.801 -2.531 -2.531 362 1HG2 VAL 51 HG22 VAL 51 32.711 -4.066 -4.066 363 2HG2 VAL 51 HG21 VAL 51 32.146 -2.750 -2.750 364 3HG2 VAL 51 HG23 VAL 51 31.390 -4.340 -4.340 365 H GLN 52 HN GLN 52 30.624 -2.420 -2.420 366 HA GLN 52 HA GLN 52 27.827 -2.212 -2.212 367 1HB GLN 52 HB2 GLN 52 30.204 -1.097 -1.097 368 2HB GLN 52 HB1 GLN 52 29.088 -1.506 -1.506 369 1HG GLN 52 HG2 GLN 52 27.484 -0.011 -0.011 370 2HG GLN 52 HG1 GLN 52 27.947 -0.157 -0.157 371 1HE2 GLN 52 HE22 GLN 52 30.785 2.004 2.004 372 2HE2 GLN 52 HE21 GLN 52 30.497 0.368 0.368 373 H HIS 53 HN HIS 53 29.980 -4.633 -4.633 374 HA HIS 53 HA HIS 53 27.868 -5.819 -5.819 375 1HB HIS 53 HB2 HIS 53 30.476 -5.992 -5.992 376 2HB HIS 53 HB1 HIS 53 28.929 -5.681 -5.681 377 HD1 HIS 53 HD1 HIS 53 29.083 -3.492 -3.492 378 HD2 HIS 53 HD2 HIS 53 31.077 -3.373 -3.373 379 HE1 HIS 53 HE1 HIS 53 29.964 -1.130 -1.130 380 H GLY 54 HN GLY 54 29.532 -6.198 -6.198 381 1HA GLY 54 HA2 GLY 54 30.509 -8.033 -8.033 382 2HA GLY 54 HA1 GLY 54 29.749 -9.016 -9.016 383 H LYS 55 HN LYS 55 31.286 -10.223 -10.223 384 HA LYS 55 HA LYS 55 33.134 -9.709 -9.709 385 1HB LYS 55 HB2 LYS 55 34.088 -8.587 -8.587 386 2HB LYS 55 HB1 LYS 55 35.227 -9.717 -9.717 387 1HG LYS 55 HG2 LYS 55 35.211 -7.122 -7.122 388 2HG LYS 55 HG1 LYS 55 35.648 -8.398 -8.398 389 1HD LYS 55 HD2 LYS 55 32.757 -7.887 -7.887 390 2HD LYS 55 HD1 LYS 55 33.691 -6.467 -6.467 391 1HE LYS 55 HE2 LYS 55 34.570 -7.496 -7.496 392 2HE LYS 55 HE1 LYS 55 34.359 -9.119 -9.119 393 1HZ LYS 55 HZ1 LYS 55 31.869 -8.532 -8.532 394 2HZ LYS 55 HZ3 LYS 55 32.349 -7.331 -7.331 395 3HZ LYS 55 HZ2 LYS 55 32.667 -8.965 -8.965 396 H ASN 56 HN ASN 56 34.161 -11.560 -11.560 397 HA ASN 56 HA ASN 56 34.596 -13.854 -13.854 398 1HB ASN 56 HB2 ASN 56 35.329 -13.093 -13.093 399 2HB ASN 56 HB1 ASN 56 35.629 -14.699 -14.699 400 1HD2 ASN 56 HD22 ASN 56 37.809 -11.505 -11.505 401 2HD2 ASN 56 HD21 ASN 56 36.332 -11.221 -11.221 402 H ALA 57 HN ALA 57 33.655 -13.913 -13.913 403 HA ALA 57 HA ALA 57 31.117 -15.272 -15.272 404 1HB ALA 57 HB1 ALA 57 33.263 -16.149 -16.149 405 2HB ALA 57 HB3 ALA 57 31.589 -16.572 -16.572 406 3HB ALA 57 HB2 ALA 57 32.325 -17.105 -17.105 407 H MET 58 HN MET 58 31.239 -12.521 -12.521 408 HA MET 58 HA MET 58 29.870 -12.544 -12.544 409 1HB MET 58 HB2 MET 58 31.871 -11.405 -11.405 410 2HB MET 58 HB1 MET 58 31.838 -10.550 -10.550 411 1HG MET 58 HG2 MET 58 29.702 -9.406 -9.406 412 2HG MET 58 HG1 MET 58 30.088 -10.096 -10.096 413 1HE MET 58 HE2 MET 58 29.856 -7.805 -7.805 414 2HE MET 58 HE1 MET 58 30.996 -6.479 -6.479 415 3HE MET 58 HE3 MET 58 29.840 -6.867 -6.867 416 HA PRO 59 HA PRO 59 26.485 -10.862 -10.862 417 1HB PRO 59 HB2 PRO 59 25.061 -9.937 -9.937 418 2HB PRO 59 HB1 PRO 59 25.116 -11.633 -11.633 419 1HG PRO 59 HG2 PRO 59 26.456 -10.273 -10.273 420 2HG PRO 59 HG1 PRO 59 25.983 -11.968 -11.968 421 1HD PRO 59 HD2 PRO 59 28.587 -10.949 -10.949 422 2HD PRO 59 HD1 PRO 59 28.049 -12.551 -12.551 423 H ALA 60 HN ALA 60 26.503 -8.999 -8.999 424 HA ALA 60 HA ALA 60 27.681 -6.561 -6.561 425 1HB ALA 60 HB2 ALA 60 26.444 -7.174 -7.174 426 2HB ALA 60 HB1 ALA 60 24.926 -6.970 -6.970 427 3HB ALA 60 HB3 ALA 60 25.977 -5.582 -5.582 428 H PHE 61 HN PHE 61 26.632 -4.453 -4.453 429 HA PHE 61 HA PHE 61 24.468 -4.750 -4.750 430 1HB PHE 61 HB2 PHE 61 27.266 -3.985 -3.985 431 2HB PHE 61 HB1 PHE 61 25.932 -3.243 -3.243 432 HD1 PHE 61 HD1 PHE 61 24.167 -4.765 -4.765 433 HD2 PHE 61 HD2 PHE 61 27.941 -6.210 -6.210 434 HE1 PHE 61 HE1 PHE 61 23.872 -6.842 -6.842 435 HE2 PHE 61 HE2 PHE 61 27.650 -8.289 -8.289 436 HZ PHE 61 HZ PHE 61 25.614 -8.603 -8.603 437 H ALA 62 HN ALA 62 25.424 -3.277 -3.277 438 HA ALA 62 HA ALA 62 25.382 -0.511 -0.511 439 1HB ALA 62 HB3 ALA 62 25.359 -2.171 -2.171 440 2HB ALA 62 HB2 ALA 62 23.834 -1.293 -1.293 441 3HB ALA 62 HB1 ALA 62 25.356 -0.407 -0.407 442 H GLY 63 HN GLY 63 22.860 -2.848 -2.848 443 1HA GLY 63 HA2 GLY 63 21.048 -0.662 -0.662 444 2HA GLY 63 HA1 GLY 63 20.458 -1.748 -1.748 445 H ARG 64 HN ARG 64 22.559 -2.951 -2.951 446 HA ARG 64 HA ARG 64 20.255 -4.511 -4.511 447 1HB ARG 64 HB2 ARG 64 23.167 -4.989 -4.989 448 2HB ARG 64 HB1 ARG 64 22.446 -5.562 -5.562 449 1HG ARG 64 HG2 ARG 64 21.454 -6.218 -6.218 450 2HG ARG 64 HG1 ARG 64 22.375 -7.306 -7.306 451 1HD ARG 64 HD2 ARG 64 20.509 -6.831 -6.831 452 2HD ARG 64 HD1 ARG 64 19.574 -6.273 -6.273 453 HE ARG 64 HE ARG 64 20.235 -8.657 -8.657 454 1HH1 ARG 64 HH11 ARG 64 18.589 -7.683 -7.683 455 2HH1 ARG 64 HH12 ARG 64 18.421 -9.274 -9.274 456 1HH2 ARG 64 HH21 ARG 64 20.438 -10.771 -10.771 457 2HH2 ARG 64 HH22 ARG 64 19.470 -11.023 -11.023 458 H LEU 65 HN LEU 65 22.986 -2.447 -2.447 459 HA LEU 65 HA LEU 65 21.984 -1.983 -1.983 460 1HB LEU 65 HB2 LEU 65 24.540 -0.809 -0.809 461 2HB LEU 65 HB1 LEU 65 24.136 -1.350 -1.350 462 HG LEU 65 HG LEU 65 24.680 -3.103 -3.103 463 1HD1 LEU 65 HD11 LEU 65 26.365 -1.950 -1.950 464 2HD1 LEU 65 HD13 LEU 65 26.259 -3.679 -3.679 465 3HD1 LEU 65 HD12 LEU 65 26.802 -3.117 -3.117 466 1HD2 LEU 65 HD21 LEU 65 23.493 -3.632 -3.632 467 2HD2 LEU 65 HD23 LEU 65 23.105 -4.372 -4.372 468 3HD2 LEU 65 HD22 LEU 65 24.567 -4.850 -4.850 469 H THR 66 HN THR 66 23.294 0.527 0.527 470 HA THR 66 HA THR 66 21.308 2.213 2.213 471 HB THR 66 HB THR 66 23.095 2.732 2.732 472 HG1 THR 66 HG1 THR 66 21.306 2.409 2.409 473 1HG2 THR 66 HG22 THR 66 21.119 4.499 4.499 474 2HG2 THR 66 HG21 THR 66 21.605 4.786 4.786 475 3HG2 THR 66 HG23 THR 66 22.807 4.844 4.844 476 H ASP 67 HN ASP 67 22.332 4.520 4.520 477 HA ASP 67 HA ASP 67 24.489 4.060 4.060 478 1HB ASP 67 HB2 ASP 67 22.740 6.330 6.330 479 2HB ASP 67 HB1 ASP 67 24.332 6.773 6.773 480 H GLU 68 HN GLU 68 24.160 6.146 6.146 481 HA GLU 68 HA GLU 68 26.950 6.748 6.748 482 1HB GLU 68 HB2 GLU 68 24.754 6.572 6.572 483 2HB GLU 68 HB1 GLU 68 26.278 7.461 7.461 484 1HG GLU 68 HG2 GLU 68 25.632 9.109 9.109 485 2HG GLU 68 HG1 GLU 68 24.455 8.058 8.058 486 H GLN 69 HN GLN 69 25.537 3.802 3.802 487 HA GLN 69 HA GLN 69 27.115 2.723 2.723 488 1HB GLN 69 HB2 GLN 69 24.639 2.008 2.008 489 2HB GLN 69 HB1 GLN 69 25.605 0.666 0.666 490 1HG GLN 69 HG2 GLN 69 23.907 1.408 1.408 491 2HG GLN 69 HG1 GLN 69 25.546 1.674 1.674 492 1HE2 GLN 69 HE22 GLN 69 25.257 5.199 5.199 493 2HE2 GLN 69 HE21 GLN 69 26.388 3.947 3.947 494 H ILE 70 HN ILE 70 26.439 2.292 2.292 495 HA ILE 70 HA ILE 70 28.383 0.212 0.212 496 HB ILE 70 HB ILE 70 27.810 2.464 2.464 497 1HG1 ILE 70 HG12 ILE 70 25.647 1.646 1.646 498 2HG1 ILE 70 HG11 ILE 70 26.129 0.706 0.706 499 1HG2 ILE 70 HG22 ILE 70 29.630 0.429 0.429 500 2HG2 ILE 70 HG21 ILE 70 28.225 -0.320 -0.320 501 3HG2 ILE 70 HG23 ILE 70 28.885 1.182 1.182 502 1HD1 ILE 70 HD13 ILE 70 26.882 -1.126 -1.126 503 2HD1 ILE 70 HD12 ILE 70 26.325 -0.190 -0.190 504 3HD1 ILE 70 HD11 ILE 70 25.165 -0.776 -0.776 505 H GLN 71 HN GLN 71 28.511 3.502 3.502 506 HA GLN 71 HA GLN 71 31.344 3.863 3.863 507 1HB GLN 71 HB2 GLN 71 29.112 5.590 5.590 508 2HB GLN 71 HB1 GLN 71 30.770 6.147 6.147 509 1HG GLN 71 HG2 GLN 71 29.913 4.918 4.918 510 2HG GLN 71 HG1 GLN 71 28.821 6.223 6.223 511 1HE2 GLN 71 HE22 GLN 71 31.842 8.470 8.470 512 2HE2 GLN 71 HE21 GLN 71 30.767 7.863 7.863 513 H ASP 72 HN ASP 72 29.338 4.753 4.753 514 HA ASP 72 HA ASP 72 31.097 4.790 4.790 515 1HB ASP 72 HB2 ASP 72 28.255 3.788 3.788 516 2HB ASP 72 HB1 ASP 72 29.147 3.791 3.791 517 H VAL 73 HN VAL 73 29.345 1.894 1.894 518 HA VAL 73 HA VAL 73 30.596 0.033 0.033 519 HB VAL 73 HB VAL 73 29.694 -0.590 -0.590 520 1HG1 VAL 73 HG12 VAL 73 30.725 -2.366 -2.366 521 2HG1 VAL 73 HG11 VAL 73 29.425 -2.113 -2.113 522 3HG1 VAL 73 HG13 VAL 73 29.055 -2.711 -2.711 523 1HG2 VAL 73 HG23 VAL 73 28.192 0.789 0.789 524 2HG2 VAL 73 HG22 VAL 73 27.587 0.007 0.007 525 3HG2 VAL 73 HG21 VAL 73 27.630 -0.878 -0.878 526 H ALA 74 HN ALA 74 31.426 1.126 1.126 527 HA ALA 74 HA ALA 74 33.648 -0.629 -0.629 528 1HB ALA 74 HB1 ALA 74 32.971 2.104 2.104 529 2HB ALA 74 HB3 ALA 74 34.532 1.369 1.369 530 3HB ALA 74 HB2 ALA 74 33.041 0.568 0.568 531 H ALA 75 HN ALA 75 33.807 2.817 2.817 532 HA ALA 75 HA ALA 75 36.436 2.770 2.770 533 1HB ALA 75 HB1 ALA 75 34.013 4.516 4.516 534 2HB ALA 75 HB3 ALA 75 35.524 4.788 4.788 535 3HB ALA 75 HB2 ALA 75 35.488 4.909 4.909 536 H TYR 76 HN TYR 76 33.455 1.505 1.505 537 HA TYR 76 HA TYR 76 33.871 1.559 1.559 538 1HB TYR 76 HB2 TYR 76 31.638 1.040 1.040 539 2HB TYR 76 HB1 TYR 76 32.310 -0.422 -0.422 540 HD1 TYR 76 HD1 TYR 76 31.455 1.178 1.178 541 HD2 TYR 76 HD2 TYR 76 32.700 -2.377 -2.377 542 HE1 TYR 76 HE1 TYR 76 31.002 -0.050 -0.050 543 HE2 TYR 76 HE2 TYR 76 32.239 -3.667 -3.667 544 HH TYR 76 HH TYR 76 31.572 -2.076 -2.076 545 H VAL 77 HN VAL 77 34.693 -0.721 -0.721 546 HA VAL 77 HA VAL 77 35.904 -2.635 -2.635 547 HB VAL 77 HB VAL 77 36.183 -2.261 -2.261 548 1HG1 VAL 77 HG12 VAL 77 37.226 -4.288 -4.288 549 2HG1 VAL 77 HG11 VAL 77 36.687 -4.854 -4.854 550 3HG1 VAL 77 HG13 VAL 77 37.970 -3.651 -3.651 551 1HG2 VAL 77 HG22 VAL 77 34.271 -3.777 -3.777 552 2HG2 VAL 77 HG21 VAL 77 33.921 -2.741 -2.741 553 3HG2 VAL 77 HG23 VAL 77 34.617 -4.340 -4.340 554 H LEU 78 HN LEU 78 36.861 0.263 0.263 555 HA LEU 78 HA LEU 78 39.737 -0.259 -0.259 556 1HB LEU 78 HB2 LEU 78 38.714 2.459 2.459 557 2HB LEU 78 HB1 LEU 78 40.118 1.596 1.596 558 HG LEU 78 HG LEU 78 37.212 1.193 1.193 559 1HD1 LEU 78 HD13 LEU 78 38.646 2.944 2.944 560 2HD1 LEU 78 HD12 LEU 78 39.661 1.622 1.622 561 3HD1 LEU 78 HD11 LEU 78 37.971 1.718 1.718 562 1HD2 LEU 78 HD22 LEU 78 39.495 -0.694 -0.694 563 2HD2 LEU 78 HD21 LEU 78 37.764 -1.019 -1.019 564 3HD2 LEU 78 HD23 LEU 78 38.484 -0.585 -0.585 565 H ASP 79 HN ASP 79 37.128 0.838 0.838 566 HA ASP 79 HA ASP 79 38.753 2.621 2.621 567 1HB ASP 79 HB2 ASP 79 36.219 2.845 2.845 568 2HB ASP 79 HB1 ASP 79 35.935 1.972 1.972 569 H GLN 80 HN GLN 80 36.991 -0.395 -0.395 570 HA GLN 80 HA GLN 80 37.407 -0.940 -0.940 571 1HB GLN 80 HB2 GLN 80 36.607 -2.879 -2.879 572 2HB GLN 80 HB1 GLN 80 36.263 -2.989 -2.989 573 1HG GLN 80 HG2 GLN 80 35.320 -0.501 -0.501 574 2HG GLN 80 HG1 GLN 80 34.542 -1.962 -1.962 575 1HE2 GLN 80 HE22 GLN 80 33.566 -0.601 -0.601 576 2HE2 GLN 80 HE21 GLN 80 34.575 0.276 0.276 577 H ALA 81 HN ALA 81 38.785 -2.074 -2.074 578 HA ALA 81 HA ALA 81 40.611 -3.937 -3.937 579 1HB ALA 81 HB3 ALA 81 39.837 -4.133 -4.133 580 2HB ALA 81 HB2 ALA 81 40.803 -2.711 -2.711 581 3HB ALA 81 HB1 ALA 81 41.589 -4.186 -4.186 582 H ALA 82 HN ALA 82 40.595 -0.567 -0.567 583 HA ALA 82 HA ALA 82 43.453 -0.217 -0.217 584 1HB ALA 82 HB1 ALA 82 41.154 1.709 1.709 585 2HB ALA 82 HB3 ALA 82 42.842 2.221 2.221 586 3HB ALA 82 HB2 ALA 82 42.136 1.455 1.455 587 H LYS 83 HN LYS 83 41.616 -1.308 -1.308 588 HA LYS 83 HA LYS 83 43.577 -0.578 -0.578 589 1HB LYS 83 HB2 LYS 83 42.349 0.992 0.992 590 2HB LYS 83 HB1 LYS 83 42.398 1.614 1.614 591 1HG LYS 83 HG2 LYS 83 40.135 0.157 0.157 592 2HG LYS 83 HG1 LYS 83 40.094 0.554 0.554 593 1HD LYS 83 HD2 LYS 83 40.561 2.648 2.648 594 2HD LYS 83 HD1 LYS 83 38.946 2.223 2.223 595 1HE LYS 83 HE2 LYS 83 40.857 2.696 2.696 596 2HE LYS 83 HE1 LYS 83 40.595 4.112 4.112 597 1HZ LYS 83 HZ3 LYS 83 38.117 2.926 2.926 598 2HZ LYS 83 HZ2 LYS 83 38.890 3.009 3.009 599 3HZ LYS 83 HZ1 LYS 83 38.671 4.417 4.417 600 H GLY 84 HN GLY 84 42.441 -3.083 -3.083 601 1HA GLY 84 HA2 GLY 84 41.788 -4.842 -4.842 602 2HA GLY 84 HA1 GLY 84 41.328 -3.634 -3.634 603 H TRP 85 HN TRP 85 40.376 -5.057 -5.057 604 HA TRP 85 HA TRP 85 37.903 -4.047 -4.047 605 1HB TRP 85 HB2 TRP 85 39.160 -6.637 -6.637 606 2HB TRP 85 HB1 TRP 85 37.447 -6.840 -6.840 607 HD1 TRP 85 HD1 TRP 85 39.768 -6.155 -6.155 608 HE1 TRP 85 HE1 TRP 85 38.472 -5.342 -5.342 609 HE3 TRP 85 HE3 TRP 85 35.265 -5.196 -5.196 610 HZ2 TRP 85 HZ2 TRP 85 35.849 -4.431 -4.431 611 HZ3 TRP 85 HZ3 TRP 85 33.379 -4.346 -4.346 612 HH2 TRP 85 HH2 TRP 85 33.656 -3.934 -3.934 613 H ALA 86 HN ALA 86 36.898 -3.196 -3.196 614 HA ALA 86 HA ALA 86 36.263 -4.667 -4.667 615 1HB ALA 86 HB2 ALA 86 36.114 -2.096 -2.096 616 2HB ALA 86 HB1 ALA 86 34.468 -2.484 -2.484 617 3HB ALA 86 HB3 ALA 86 34.991 -2.823 -2.823 618 H GLY 87 HN GLY 87 34.478 -4.175 -4.175 619 1HA GLY 87 HA2 GLY 87 32.465 -5.141 -5.141 620 2HA GLY 87 HA1 GLY 87 33.189 -6.615 -6.615 621 HHA HEC 88 HA HEM 88 36.492 -10.503 -10.503 622 HHB HEC 88 HB HEM 88 33.756 -5.578 -5.578 623 HHC HEC 88 HC HEM 88 28.174 -8.609 -8.609 624 HHD HEC 88 HD HEM 88 31.105 -13.759 -13.759 625 1HMA HEC 88 HMA1 HEM 88 36.637 -5.127 -5.127 626 2HMA HEC 88 HMA2 HEM 88 37.398 -6.099 -6.099 627 3HMA HEC 88 HMA3 HEM 88 35.794 -5.317 -5.317 628 1HAA HEC 88 HAA1 HEM 88 38.102 -9.229 -9.229 629 2HAA HEC 88 HAA2 HEM 88 38.347 -7.488 -7.488 630 1HBA HEC 88 HBA1 HEM 88 37.289 -8.560 -8.560 631 2HBA HEC 88 HBA2 HEM 88 37.618 -6.828 -6.828 632 1HMB HEC 88 HMB1 HEM 88 31.386 -4.855 -4.855 633 2HMB HEC 88 HMB2 HEM 88 30.572 -3.959 -3.959 634 3HMB HEC 88 HMB3 HEM 88 32.349 -4.283 -4.283 635 HAB HEC 88 HAB HEM 88 27.816 -6.797 -6.797 636 1HBB HEC 88 HBB1 HEM 88 27.267 -4.938 -4.938 637 2HBB HEC 88 HBB2 HEM 88 28.967 -5.142 -5.142 638 3HBB HEC 88 HBB3 HEM 88 28.583 -3.925 -3.925 639 1HMC HEC 88 HMC1 HEM 88 26.625 -10.107 -10.107 640 2HMC HEC 88 HMC2 HEM 88 26.468 -11.905 -11.905 641 3HMC HEC 88 HMC3 HEM 88 26.874 -11.079 -11.079 642 HAC HEC 88 HAC HEM 88 27.584 -13.611 -13.611 643 1HBC HEC 88 HBC1 HEM 88 27.948 -14.668 -14.668 644 2HBC HEC 88 HBC2 HEM 88 29.540 -13.838 -13.838 645 3HBC HEC 88 HBC3 HEM 88 29.433 -15.397 -15.397 646 1HMD HEC 88 HMD1 HEM 88 33.714 -14.874 -14.874 647 2HMD HEC 88 HMD2 HEM 88 34.026 -15.401 -15.401 648 3HMD HEC 88 HMD3 HEM 88 32.348 -14.967 -14.967 649 1HAD HEC 88 HAD1 HEM 88 36.156 -14.123 -14.123 650 2HAD HEC 88 HAD2 HEM 88 36.915 -12.519 -12.519 651 1HBD HEC 88 HBD1 HEM 88 35.989 -13.602 -13.602 652 2HBD HEC 88 HBD2 HEM 88 34.958 -12.170 -12.170 Start of MODEL 12 1 1H ALA 1 HT2 ALA 1 33.000 8.484 8.484 2 2H ALA 1 HT1 ALA 1 33.568 9.410 9.410 3 3H ALA 1 HT3 ALA 1 32.027 8.707 8.707 4 HA ALA 1 HA ALA 1 31.742 11.012 11.012 5 1HB ALA 1 HB1 ALA 1 34.169 10.611 10.611 6 2HB ALA 1 HB3 ALA 1 32.961 11.187 11.187 7 3HB ALA 1 HB2 ALA 1 33.325 12.129 12.129 8 H ASP 2 HN ASP 2 32.292 9.081 9.081 9 HA ASP 2 HA ASP 2 29.328 9.084 9.084 10 1HB ASP 2 HB2 ASP 2 30.182 9.047 9.047 11 2HB ASP 2 HB1 ASP 2 29.790 10.536 10.536 12 H LEU 3 HN LEU 3 32.320 7.330 7.330 13 HA LEU 3 HA LEU 3 31.370 5.147 5.147 14 1HB LEU 3 HB2 LEU 3 33.552 5.138 5.138 15 2HB LEU 3 HB1 LEU 3 33.317 3.919 3.919 16 HG LEU 3 HG LEU 3 33.376 6.335 6.335 17 1HD1 LEU 3 HD12 LEU 3 34.244 7.336 7.336 18 2HD1 LEU 3 HD11 LEU 3 35.660 6.300 6.300 19 3HD1 LEU 3 HD13 LEU 3 35.310 7.532 7.532 20 1HD2 LEU 3 HD23 LEU 3 35.266 4.058 4.058 21 2HD2 LEU 3 HD22 LEU 3 34.437 4.526 4.526 22 3HD2 LEU 3 HD21 LEU 3 35.834 5.447 5.447 23 H ALA 4 HN ALA 4 30.347 6.202 6.202 24 HA ALA 4 HA ALA 4 30.018 3.723 3.723 25 1HB ALA 4 HB1 ALA 4 29.453 6.418 6.418 26 2HB ALA 4 HB3 ALA 4 27.867 5.646 5.646 27 3HB ALA 4 HB2 ALA 4 29.083 5.058 5.058 28 H ASN 5 HN ASN 5 28.311 5.509 5.509 29 HA ASN 5 HA ASN 5 25.930 3.879 3.879 30 1HB ASN 5 HB2 ASN 5 27.085 6.126 6.126 31 2HB ASN 5 HB1 ASN 5 26.508 4.939 4.939 32 1HD2 ASN 5 HD22 ASN 5 23.782 7.296 7.296 33 2HD2 ASN 5 HD21 ASN 5 25.432 7.665 7.665 34 H GLY 6 HN GLY 6 29.182 3.636 3.636 35 1HA GLY 6 HA2 GLY 6 28.840 1.683 1.683 36 2HA GLY 6 HA1 GLY 6 30.328 1.958 1.958 37 H ALA 7 HN ALA 7 30.044 1.148 1.148 38 HA ALA 7 HA ALA 7 29.858 -1.644 -1.644 39 1HB ALA 7 HB1 ALA 7 30.167 0.422 0.422 40 2HB ALA 7 HB3 ALA 7 28.984 -0.747 -0.747 41 3HB ALA 7 HB2 ALA 7 30.598 -1.287 -1.287 42 H LYS 8 HN LYS 8 27.319 0.754 0.754 43 HA LYS 8 HA LYS 8 25.292 -0.942 -0.942 44 1HB LYS 8 HB2 LYS 8 24.873 1.409 1.409 45 2HB LYS 8 HB1 LYS 8 25.180 1.495 1.495 46 1HG LYS 8 HG2 LYS 8 23.052 -0.402 -0.402 47 2HG LYS 8 HG1 LYS 8 22.683 1.293 1.293 48 1HD LYS 8 HD2 LYS 8 23.427 0.019 0.019 49 2HD LYS 8 HD1 LYS 8 21.906 0.804 0.804 50 1HE LYS 8 HE2 LYS 8 23.860 2.727 2.727 51 2HE LYS 8 HE1 LYS 8 24.384 1.984 1.984 52 1HZ LYS 8 HZ3 LYS 8 21.662 3.052 3.052 53 2HZ LYS 8 HZ2 LYS 8 22.866 3.845 3.845 54 3HZ LYS 8 HZ1 LYS 8 22.203 2.386 2.386 55 H VAL 9 HN VAL 9 26.331 -0.261 -0.261 56 HA VAL 9 HA VAL 9 24.354 -2.059 -2.059 57 HB VAL 9 HB VAL 9 26.644 -0.405 -0.405 58 1HG1 VAL 9 HG13 VAL 9 26.892 -2.622 -2.622 59 2HG1 VAL 9 HG12 VAL 9 25.228 -2.491 -2.491 60 3HG1 VAL 9 HG11 VAL 9 26.440 -1.343 -1.343 61 1HG2 VAL 9 HG21 VAL 9 23.674 -0.638 -0.638 62 2HG2 VAL 9 HG23 VAL 9 24.626 0.800 0.800 63 3HG2 VAL 9 HG22 VAL 9 24.646 0.113 0.113 64 H PHE 10 HN PHE 10 27.931 -2.149 -2.149 65 HA PHE 10 HA PHE 10 28.318 -4.702 -4.702 66 1HB PHE 10 HB2 PHE 10 30.183 -3.258 -3.258 67 2HB PHE 10 HB1 PHE 10 29.780 -3.328 -3.328 68 HD1 PHE 10 HD1 PHE 10 29.723 -5.610 -5.610 69 HD2 PHE 10 HD2 PHE 10 31.610 -4.904 -4.904 70 HE1 PHE 10 HE1 PHE 10 31.014 -7.686 -7.686 71 HE2 PHE 10 HE2 PHE 10 32.915 -6.999 -6.999 72 HZ PHE 10 HZ PHE 10 32.622 -8.394 -8.394 73 H SER 11 HN SER 11 26.938 -3.809 -3.809 74 HA SER 11 HA SER 11 27.171 -6.525 -6.525 75 1HB SER 11 HB2 SER 11 26.249 -5.613 -5.613 76 2HB SER 11 HB1 SER 11 27.338 -4.373 -4.373 77 HG SER 11 HG SER 11 25.488 -3.410 -3.410 78 H GLY 12 HN GLY 12 25.558 -5.859 -5.859 79 1HA GLY 12 HA2 GLY 12 23.225 -7.416 -7.416 80 2HA GLY 12 HA1 GLY 12 22.844 -5.767 -5.767 81 H ASN 13 HN ASN 13 25.608 -6.997 -6.997 82 HA ASN 13 HA ASN 13 24.080 -8.235 -8.235 83 1HB ASN 13 HB2 ASN 13 25.550 -6.453 -6.453 84 2HB ASN 13 HB1 ASN 13 23.834 -6.272 -6.272 85 1HD2 ASN 13 HD22 ASN 13 24.322 -3.525 -3.525 86 2HD2 ASN 13 HD21 ASN 13 23.215 -4.635 -4.635 87 H CYS 14 HN CYS 14 27.205 -7.022 -7.022 88 HA CYS 14 HA CYS 14 28.619 -9.021 -9.021 89 1HB CYS 14 HB2 CYS 14 30.102 -7.362 -7.362 90 2HB CYS 14 HB1 CYS 14 30.530 -7.776 -7.776 91 H ALA 15 HN ALA 15 27.740 -8.351 -8.351 92 HA ALA 15 HA ALA 15 29.367 -9.953 -9.953 93 1HB ALA 15 HB1 ALA 15 26.388 -9.538 -9.538 94 2HB ALA 15 HB3 ALA 15 27.196 -10.566 -10.566 95 3HB ALA 15 HB2 ALA 15 27.629 -8.861 -8.861 96 H ALA 16 HN ALA 16 26.621 -11.126 -11.126 97 HA ALA 16 HA ALA 16 26.781 -13.854 -13.854 98 1HB ALA 16 HB2 ALA 16 26.011 -12.657 -12.657 99 2HB ALA 16 HB1 ALA 16 25.657 -14.305 -14.305 100 3HB ALA 16 HB3 ALA 16 24.924 -12.939 -12.939 101 H CYS 17 HN CYS 17 28.495 -12.133 -12.133 102 HA CYS 17 HA CYS 17 30.178 -14.568 -14.568 103 1HB CYS 17 HB2 CYS 17 29.824 -12.283 -12.283 104 2HB CYS 17 HB1 CYS 17 30.704 -13.773 -13.773 105 H HIS 18 HN HIS 18 30.511 -12.411 -12.411 106 HA HIS 18 HA HIS 18 33.371 -12.009 -12.009 107 1HB HIS 18 HB2 HIS 18 31.390 -9.732 -9.732 108 2HB HIS 18 HB1 HIS 18 33.069 -9.472 -9.472 109 HD1 HIS 18 HD1 HIS 18 34.911 -10.093 -10.093 110 HD2 HIS 18 HD2 HIS 18 31.046 -10.209 -10.209 111 HE1 HIS 18 HE1 HIS 18 35.147 -10.174 -10.174 112 H MET 19 HN MET 19 30.973 -10.146 -10.146 113 HA MET 19 HA MET 19 30.733 -9.788 -9.788 114 1HB MET 19 HB2 MET 19 30.950 -12.597 -12.597 115 2HB MET 19 HB1 MET 19 31.684 -12.186 -12.186 116 1HG MET 19 HG2 MET 19 29.547 -10.757 -10.757 117 2HG MET 19 HG1 MET 19 28.855 -11.722 -11.722 118 1HE MET 19 HE2 MET 19 27.645 -11.403 -11.403 119 2HE MET 19 HE1 MET 19 27.493 -12.838 -12.838 120 3HE MET 19 HE3 MET 19 28.780 -11.664 -11.664 121 H GLY 20 HN GLY 20 32.124 -8.410 -8.410 122 1HA GLY 20 HA2 GLY 20 34.192 -7.503 -7.503 123 2HA GLY 20 HA1 GLY 20 34.281 -9.042 -9.042 124 H GLY 21 HN GLY 21 34.760 -7.847 -7.847 125 1HA GLY 21 HA2 GLY 21 36.288 -8.572 -8.572 126 2HA GLY 21 HA1 GLY 21 37.446 -8.312 -8.312 127 H GLY 22 HN GLY 22 35.025 -10.754 -10.754 128 1HA GLY 22 HA2 GLY 22 37.092 -12.830 -12.830 129 2HA GLY 22 HA1 GLY 22 35.678 -12.981 -12.981 130 H ASN 23 HN ASN 23 36.490 -12.527 -12.527 131 HA ASN 23 HA ASN 23 34.041 -13.196 -13.196 132 1HB ASN 23 HB2 ASN 23 35.402 -14.185 -14.185 133 2HB ASN 23 HB1 ASN 23 35.862 -12.545 -12.545 134 1HD2 ASN 23 HD22 ASN 23 39.087 -14.249 -14.249 135 2HD2 ASN 23 HD21 ASN 23 37.941 -13.544 -13.544 136 H VAL 24 HN VAL 24 33.424 -15.359 -15.359 137 HA VAL 24 HA VAL 24 34.301 -17.624 -17.624 138 HB VAL 24 HB VAL 24 32.068 -18.398 -18.398 139 1HG1 VAL 24 HG12 VAL 24 32.316 -15.404 -15.404 140 2HG1 VAL 24 HG11 VAL 24 30.845 -16.247 -16.247 141 3HG1 VAL 24 HG13 VAL 24 32.380 -16.631 -16.631 142 1HG2 VAL 24 HG22 VAL 24 31.422 -17.959 -17.959 143 2HG2 VAL 24 HG21 VAL 24 30.176 -17.493 -17.493 144 3HG2 VAL 24 HG23 VAL 24 31.198 -16.260 -16.260 145 H VAL 25 HN VAL 25 32.962 -16.641 -16.641 146 HA VAL 25 HA VAL 25 33.296 -19.339 -19.339 147 HB VAL 25 HB VAL 25 32.881 -16.850 -16.850 148 1HG1 VAL 25 HG13 VAL 25 32.171 -19.777 -19.777 149 2HG1 VAL 25 HG12 VAL 25 31.325 -18.576 -18.576 150 3HG1 VAL 25 HG11 VAL 25 33.066 -18.791 -18.791 151 1HG2 VAL 25 HG23 VAL 25 30.964 -18.189 -18.189 152 2HG2 VAL 25 HG22 VAL 25 31.244 -16.467 -16.467 153 3HG2 VAL 25 HG21 VAL 25 30.368 -17.407 -17.407 154 H MET 26 HN MET 26 34.932 -16.193 -16.193 155 HA MET 26 HA MET 26 36.870 -16.932 -16.932 156 1HB MET 26 HB2 MET 26 37.039 -14.950 -14.950 157 2HB MET 26 HB1 MET 26 38.224 -15.065 -15.065 158 1HG MET 26 HG2 MET 26 36.900 -13.594 -13.594 159 2HG MET 26 HG1 MET 26 35.818 -14.959 -14.959 160 1HE MET 26 HE1 MET 26 36.646 -11.872 -11.872 161 2HE MET 26 HE3 MET 26 35.151 -11.155 -11.155 162 3HE MET 26 HE2 MET 26 36.314 -11.872 -11.872 163 H ALA 27 HN ALA 27 37.235 -16.805 -16.805 164 HA ALA 27 HA ALA 27 38.486 -18.219 -18.219 165 1HB ALA 27 HB1 ALA 27 37.993 -19.816 -19.816 166 2HB ALA 27 HB3 ALA 27 39.692 -20.016 -20.016 167 3HB ALA 27 HB2 ALA 27 38.435 -20.360 -20.360 168 H ASN 28 HN ASN 28 39.545 -15.893 -15.893 169 HA ASN 28 HA ASN 28 42.238 -16.012 -16.012 170 1HB ASN 28 HB2 ASN 28 43.474 -16.368 -16.368 171 2HB ASN 28 HB1 ASN 28 42.266 -17.657 -17.657 172 1HD2 ASN 28 HD22 ASN 28 40.250 -16.016 -16.016 173 2HD2 ASN 28 HD21 ASN 28 40.032 -16.791 -16.791 174 H LYS 29 HN LYS 29 39.930 -14.647 -14.647 175 HA LYS 29 HA LYS 29 41.388 -12.076 -12.076 176 1HB LYS 29 HB2 LYS 29 39.007 -13.194 -13.194 177 2HB LYS 29 HB1 LYS 29 39.271 -11.451 -11.451 178 1HG LYS 29 HG2 LYS 29 41.540 -11.768 -11.768 179 2HG LYS 29 HG1 LYS 29 41.290 -13.514 -13.514 180 1HD LYS 29 HD2 LYS 29 39.103 -12.150 -12.150 181 2HD LYS 29 HD1 LYS 29 40.650 -11.694 -11.694 182 1HE LYS 29 HE2 LYS 29 40.640 -13.659 -13.659 183 2HE LYS 29 HE1 LYS 29 40.815 -14.471 -14.471 184 1HZ LYS 29 HZ3 LYS 29 38.154 -13.574 -13.574 185 2HZ LYS 29 HZ2 LYS 29 38.800 -14.996 -14.996 186 3HZ LYS 29 HZ1 LYS 29 38.580 -14.870 -14.870 187 H THR 30 HN THR 30 40.781 -12.419 -12.419 188 HA THR 30 HA THR 30 38.132 -11.645 -11.645 189 HB THR 30 HB THR 30 40.654 -11.122 -11.122 190 HG1 THR 30 HG1 THR 30 40.907 -13.199 -13.199 191 1HG2 THR 30 HG23 THR 30 37.772 -11.300 -11.300 192 2HG2 THR 30 HG22 THR 30 38.752 -12.254 -12.254 193 3HG2 THR 30 HG21 THR 30 39.042 -10.523 -10.523 194 H LEU 31 HN LEU 31 38.014 -9.498 -9.498 195 HA LEU 31 HA LEU 31 38.814 -7.278 -7.278 196 1HB LEU 31 HB2 LEU 31 37.011 -7.120 -7.120 197 2HB LEU 31 HB1 LEU 31 37.145 -5.967 -5.967 198 HG LEU 31 HG LEU 31 35.581 -8.460 -8.460 199 1HD1 LEU 31 HD11 LEU 31 35.244 -5.766 -5.766 200 2HD1 LEU 31 HD13 LEU 31 35.049 -6.672 -6.672 201 3HD1 LEU 31 HD12 LEU 31 34.036 -7.047 -7.047 202 1HD2 LEU 31 HD22 LEU 31 37.490 -7.980 -7.980 203 2HD2 LEU 31 HD21 LEU 31 36.879 -9.503 -9.503 204 3HD2 LEU 31 HD23 LEU 31 35.865 -8.518 -8.518 205 H LYS 32 HN LYS 32 39.836 -8.745 -8.745 206 HA LYS 32 HA LYS 32 40.481 -6.683 -6.683 207 1HB LYS 32 HB2 LYS 32 42.732 -8.028 -8.028 208 2HB LYS 32 HB1 LYS 32 41.186 -8.709 -8.709 209 1HG LYS 32 HG2 LYS 32 41.522 -9.409 -9.409 210 2HG LYS 32 HG1 LYS 32 43.062 -9.722 -9.722 211 1HD LYS 32 HD2 LYS 32 40.472 -10.589 -10.589 212 2HD LYS 32 HD1 LYS 32 41.265 -11.599 -11.599 213 1HE LYS 32 HE2 LYS 32 43.367 -10.933 -10.933 214 2HE LYS 32 HE1 LYS 32 42.036 -11.056 -11.056 215 1HZ LYS 32 HZ1 LYS 32 41.501 -13.233 -13.233 216 2HZ LYS 32 HZ3 LYS 32 42.958 -13.117 -13.117 217 3HZ LYS 32 HZ2 LYS 32 42.977 -13.200 -13.200 218 H LYS 33 HN LYS 33 43.107 -7.855 -7.855 219 HA LYS 33 HA LYS 33 43.607 -5.517 -5.517 220 1HB LYS 33 HB2 LYS 33 43.983 -4.021 -4.021 221 2HB LYS 33 HB1 LYS 33 44.298 -5.284 -5.284 222 1HG LYS 33 HG2 LYS 33 46.563 -5.374 -5.374 223 2HG LYS 33 HG1 LYS 33 46.337 -4.811 -4.811 224 1HD LYS 33 HD2 LYS 33 47.197 -2.882 -2.882 225 2HD LYS 33 HD1 LYS 33 45.483 -2.617 -2.617 226 1HE LYS 33 HE2 LYS 33 46.177 -4.125 -4.125 227 2HE LYS 33 HE1 LYS 33 47.689 -3.262 -3.262 228 1HZ LYS 33 HZ3 LYS 33 45.183 -1.746 -1.746 229 2HZ LYS 33 HZ2 LYS 33 45.798 -2.217 -2.217 230 3HZ LYS 33 HZ1 LYS 33 46.734 -1.249 -1.249 231 H GLU 34 HN GLU 34 45.273 -7.878 -7.878 232 HA GLU 34 HA GLU 34 47.730 -7.954 -7.954 233 1HB GLU 34 HB2 GLU 34 48.088 -10.090 -10.090 234 2HB GLU 34 HB1 GLU 34 47.141 -9.119 -9.119 235 1HG GLU 34 HG2 GLU 34 45.065 -10.193 -10.193 236 2HG GLU 34 HG1 GLU 34 46.167 -11.329 -11.329 237 H ALA 35 HN ALA 35 44.658 -9.285 -9.285 238 HA ALA 35 HA ALA 35 45.963 -10.786 -10.786 239 1HB ALA 35 HB1 ALA 35 43.814 -11.404 -11.404 240 2HB ALA 35 HB3 ALA 35 43.061 -10.981 -10.981 241 3HB ALA 35 HB2 ALA 35 44.270 -12.264 -12.264 242 H LEU 36 HN LEU 36 43.084 -8.684 -8.684 243 HA LEU 36 HA LEU 36 42.634 -8.154 -8.154 244 1HB LEU 36 HB2 LEU 36 41.862 -5.849 -5.849 245 2HB LEU 36 HB1 LEU 36 41.091 -7.255 -7.255 246 HG LEU 36 HG LEU 36 43.582 -6.408 -6.408 247 1HD1 LEU 36 HD12 LEU 36 41.785 -4.384 -4.384 248 2HD1 LEU 36 HD11 LEU 36 41.462 -4.692 -4.692 249 3HD1 LEU 36 HD13 LEU 36 43.089 -4.260 -4.260 250 1HD2 LEU 36 HD21 LEU 36 40.945 -7.553 -7.553 251 2HD2 LEU 36 HD23 LEU 36 42.502 -7.849 -7.849 252 3HD2 LEU 36 HD22 LEU 36 41.547 -6.437 -6.437 253 H GLU 37 HN GLU 37 45.153 -6.830 -6.830 254 HA GLU 37 HA GLU 37 45.985 -4.998 -4.998 255 1HB GLU 37 HB2 GLU 37 47.053 -5.495 -5.495 256 2HB GLU 37 HB1 GLU 37 47.698 -4.280 -4.280 257 1HG GLU 37 HG2 GLU 37 45.668 -3.049 -3.049 258 2HG GLU 37 HG1 GLU 37 44.756 -4.395 -4.395 259 H GLN 38 HN GLN 38 46.798 -8.124 -8.124 260 HA GLN 38 HA GLN 38 49.460 -8.346 -8.346 261 1HB GLN 38 HB2 GLN 38 48.690 -10.020 -10.020 262 2HB GLN 38 HB1 GLN 38 47.165 -10.197 -10.197 263 1HG GLN 38 HG2 GLN 38 48.787 -12.054 -12.054 264 2HG GLN 38 HG1 GLN 38 48.234 -11.319 -11.319 265 1HE2 GLN 38 HE22 GLN 38 51.850 -9.756 -9.756 266 2HE2 GLN 38 HE21 GLN 38 50.501 -9.607 -9.607 267 H PHE 39 HN PHE 39 46.310 -8.914 -8.914 268 HA PHE 39 HA PHE 39 47.590 -9.504 -9.504 269 1HB PHE 39 HB2 PHE 39 44.744 -9.068 -9.068 270 2HB PHE 39 HB1 PHE 39 45.656 -10.524 -10.524 271 HD1 PHE 39 HD1 PHE 39 46.293 -12.055 -12.055 272 HD2 PHE 39 HD2 PHE 39 43.404 -8.887 -8.887 273 HE1 PHE 39 HE1 PHE 39 45.322 -13.103 -13.103 274 HE2 PHE 39 HE2 PHE 39 42.433 -9.927 -9.927 275 HZ PHE 39 HZ PHE 39 43.387 -12.048 -12.048 276 H GLY 40 HN GLY 40 44.792 -7.476 -7.476 277 1HA GLY 40 HA2 GLY 40 45.667 -4.927 -4.927 278 2HA GLY 40 HA1 GLY 40 45.584 -5.536 -5.536 279 H MET 41 HN MET 41 43.671 -4.878 -4.878 280 HA MET 41 HA MET 41 41.316 -4.248 -4.248 281 1HB MET 41 HB2 MET 41 39.906 -6.062 -6.062 282 2HB MET 41 HB1 MET 41 41.408 -6.819 -6.819 283 1HG MET 41 HG2 MET 41 42.120 -6.644 -6.644 284 2HG MET 41 HG1 MET 41 40.395 -6.417 -6.417 285 1HE MET 41 HE2 MET 41 39.538 -7.967 -7.967 286 2HE MET 41 HE1 MET 41 39.439 -9.702 -9.702 287 3HE MET 41 HE3 MET 41 40.878 -9.008 -9.008 288 H TYR 42 HN TYR 42 43.067 -3.241 -3.241 289 HA TYR 42 HA TYR 42 41.040 -3.077 -3.077 290 1HB TYR 42 HB2 TYR 42 43.322 -3.830 -3.830 291 2HB TYR 42 HB1 TYR 42 43.970 -2.299 -2.299 292 HD1 TYR 42 HD1 TYR 42 40.741 -2.546 -2.546 293 HD2 TYR 42 HD2 TYR 42 44.906 -1.550 -1.550 294 HE1 TYR 42 HE1 TYR 42 40.326 -1.502 -1.502 295 HE2 TYR 42 HE2 TYR 42 44.491 -0.503 -0.503 296 HH TYR 42 HH TYR 42 43.000 -0.168 -0.168 297 H SER 43 HN SER 43 41.220 -1.492 -1.492 298 HA SER 43 HA SER 43 41.356 1.250 1.250 299 1HB SER 43 HB2 SER 43 42.221 0.119 0.119 300 2HB SER 43 HB1 SER 43 40.961 1.299 1.299 301 HG SER 43 HG SER 43 42.849 2.421 2.421 302 H GLU 44 HN GLU 44 39.569 2.645 2.645 303 HA GLU 44 HA GLU 44 36.964 1.716 1.716 304 1HB GLU 44 HB2 GLU 44 38.241 4.279 4.279 305 2HB GLU 44 HB1 GLU 44 36.752 4.181 4.181 306 1HG GLU 44 HG2 GLU 44 35.420 3.983 3.983 307 2HG GLU 44 HG1 GLU 44 36.678 3.179 3.179 308 H ASP 45 HN ASP 45 38.206 3.267 3.267 309 HA ASP 45 HA ASP 45 36.117 2.533 2.533 310 1HB ASP 45 HB2 ASP 45 38.039 3.991 3.991 311 2HB ASP 45 HB1 ASP 45 38.991 2.525 2.525 312 H ALA 46 HN ALA 46 38.763 0.494 0.494 313 HA ALA 46 HA ALA 46 38.372 -1.651 -1.651 314 1HB ALA 46 HB3 ALA 46 39.498 -1.612 -1.612 315 2HB ALA 46 HB2 ALA 46 39.514 -3.040 -3.040 316 3HB ALA 46 HB1 ALA 46 40.401 -1.594 -1.594 317 H ILE 47 HN ILE 47 37.684 -2.015 -2.015 318 HA ILE 47 HA ILE 47 35.759 -4.056 -4.056 319 HB ILE 47 HB ILE 47 36.924 -3.494 -3.494 320 1HG1 ILE 47 HG12 ILE 47 33.903 -3.429 -3.429 321 2HG1 ILE 47 HG11 ILE 47 34.920 -4.861 -4.861 322 1HG2 ILE 47 HG21 ILE 47 36.681 -1.015 -1.015 323 2HG2 ILE 47 HG23 ILE 47 34.972 -1.191 -1.191 324 3HG2 ILE 47 HG22 ILE 47 36.204 -1.614 -1.614 325 1HD1 ILE 47 HD11 ILE 47 35.894 -3.984 -3.984 326 2HD1 ILE 47 HD13 ILE 47 34.822 -2.588 -2.588 327 3HD1 ILE 47 HD12 ILE 47 34.149 -4.198 -4.198 328 H ILE 48 HN ILE 48 35.500 -0.712 -0.712 329 HA ILE 48 HA ILE 48 32.665 -0.420 -0.420 330 HB ILE 48 HB ILE 48 34.753 1.207 1.207 331 1HG1 ILE 48 HG12 ILE 48 32.864 1.897 1.897 332 2HG1 ILE 48 HG11 ILE 48 34.468 1.214 1.214 333 1HG2 ILE 48 HG23 ILE 48 31.762 1.649 1.649 334 2HG2 ILE 48 HG22 ILE 48 32.931 2.922 2.922 335 3HG2 ILE 48 HG21 ILE 48 32.807 1.521 1.521 336 1HD1 ILE 48 HD12 ILE 48 35.124 3.222 3.222 337 2HD1 ILE 48 HD11 ILE 48 33.687 3.931 3.931 338 3HD1 ILE 48 HD13 ILE 48 35.043 3.437 3.437 339 H TYR 49 HN TYR 49 34.661 -1.229 -1.229 340 HA TYR 49 HA TYR 49 32.271 -1.524 -1.524 341 1HB TYR 49 HB2 TYR 49 34.204 -0.724 -0.724 342 2HB TYR 49 HB1 TYR 49 35.239 -1.956 -1.956 343 HD1 TYR 49 HD1 TYR 49 32.534 -1.333 -1.333 344 HD2 TYR 49 HD2 TYR 49 35.228 -4.242 -4.242 345 HE1 TYR 49 HE1 TYR 49 31.955 -2.897 -2.897 346 HE2 TYR 49 HE2 TYR 49 34.657 -5.807 -5.807 347 HH TYR 49 HH TYR 49 33.326 -4.982 -4.982 348 H GLN 50 HN GLN 50 33.994 -3.331 -3.331 349 HA GLN 50 HA GLN 50 33.232 -5.914 -5.914 350 1HB GLN 50 HB2 GLN 50 35.371 -6.176 -6.176 351 2HB GLN 50 HB1 GLN 50 35.132 -5.008 -5.008 352 1HG GLN 50 HG2 GLN 50 35.179 -6.929 -6.929 353 2HG GLN 50 HG1 GLN 50 33.460 -6.908 -6.908 354 1HE2 GLN 50 HE22 GLN 50 35.682 -9.366 -9.366 355 2HE2 GLN 50 HE21 GLN 50 36.234 -7.793 -7.793 356 H VAL 51 HN VAL 51 32.075 -3.552 -3.552 357 HA VAL 51 HA VAL 51 30.302 -5.460 -5.460 358 HB VAL 51 HB VAL 51 30.915 -2.524 -2.524 359 1HG1 VAL 51 HG11 VAL 51 28.539 -3.018 -3.018 360 2HG1 VAL 51 HG13 VAL 51 29.038 -4.319 -4.319 361 3HG1 VAL 51 HG12 VAL 51 29.434 -2.645 -2.645 362 1HG2 VAL 51 HG23 VAL 51 32.531 -4.416 -4.416 363 2HG2 VAL 51 HG22 VAL 51 32.075 -3.197 -3.197 364 3HG2 VAL 51 HG21 VAL 51 31.303 -4.781 -4.781 365 H GLN 52 HN GLN 52 30.312 -2.664 -2.664 366 HA GLN 52 HA GLN 52 27.506 -2.195 -2.195 367 1HB GLN 52 HB2 GLN 52 29.857 -1.180 -1.180 368 2HB GLN 52 HB1 GLN 52 28.721 -1.572 -1.572 369 1HG GLN 52 HG2 GLN 52 27.143 -0.042 -0.042 370 2HG GLN 52 HG1 GLN 52 27.680 -0.136 -0.136 371 1HE2 GLN 52 HE22 GLN 52 30.529 2.095 2.095 372 2HE2 GLN 52 HE21 GLN 52 30.235 0.601 0.601 373 H HIS 53 HN HIS 53 29.451 -4.722 -4.722 374 HA HIS 53 HA HIS 53 27.196 -5.870 -5.870 375 1HB HIS 53 HB2 HIS 53 29.018 -6.018 -6.018 376 2HB HIS 53 HB1 HIS 53 27.544 -5.073 -5.073 377 HD1 HIS 53 HD1 HIS 53 28.635 -3.270 -3.270 378 HD2 HIS 53 HD2 HIS 53 30.472 -3.661 -3.661 379 HE1 HIS 53 HE1 HIS 53 30.096 -1.227 -1.227 380 H GLY 54 HN GLY 54 28.889 -6.568 -6.568 381 1HA GLY 54 HA2 GLY 54 30.328 -8.297 -8.297 382 2HA GLY 54 HA1 GLY 54 29.404 -9.246 -9.246 383 H LYS 55 HN LYS 55 30.824 -10.332 -10.332 384 HA LYS 55 HA LYS 55 32.317 -9.694 -9.694 385 1HB LYS 55 HB2 LYS 55 33.616 -8.578 -8.578 386 2HB LYS 55 HB1 LYS 55 34.663 -9.723 -9.723 387 1HG LYS 55 HG2 LYS 55 34.685 -7.223 -7.223 388 2HG LYS 55 HG1 LYS 55 34.694 -8.506 -8.506 389 1HD LYS 55 HD2 LYS 55 31.960 -7.900 -7.900 390 2HD LYS 55 HD1 LYS 55 32.803 -6.387 -6.387 391 1HE LYS 55 HE2 LYS 55 33.557 -7.158 -7.158 392 2HE LYS 55 HE1 LYS 55 32.994 -8.796 -8.796 393 1HZ LYS 55 HZ2 LYS 55 31.025 -6.656 -6.656 394 2HZ LYS 55 HZ1 LYS 55 31.567 -7.050 -7.050 395 3HZ LYS 55 HZ3 LYS 55 30.853 -8.241 -8.241 396 H ASN 56 HN ASN 56 32.785 -11.629 -11.629 397 HA ASN 56 HA ASN 56 33.354 -13.887 -13.887 398 1HB ASN 56 HB2 ASN 56 34.621 -13.318 -13.318 399 2HB ASN 56 HB1 ASN 56 34.802 -14.839 -14.839 400 1HD2 ASN 56 HD22 ASN 56 37.196 -11.790 -11.790 401 2HD2 ASN 56 HD21 ASN 56 36.291 -11.869 -11.869 402 H ALA 57 HN ALA 57 33.038 -13.990 -13.990 403 HA ALA 57 HA ALA 57 30.425 -15.404 -15.404 404 1HB ALA 57 HB1 ALA 57 32.895 -16.235 -16.235 405 2HB ALA 57 HB3 ALA 57 31.367 -16.564 -16.564 406 3HB ALA 57 HB2 ALA 57 31.667 -17.223 -17.223 407 H MET 58 HN MET 58 30.786 -12.611 -12.611 408 HA MET 58 HA MET 58 29.851 -12.545 -12.545 409 1HB MET 58 HB2 MET 58 31.974 -11.341 -11.341 410 2HB MET 58 HB1 MET 58 31.196 -10.347 -10.347 411 1HG MET 58 HG2 MET 58 29.620 -9.487 -9.487 412 2HG MET 58 HG1 MET 58 30.390 -10.499 -10.499 413 1HE MET 58 HE1 MET 58 30.226 -8.073 -8.073 414 2HE MET 58 HE3 MET 58 31.196 -6.683 -6.683 415 3HE MET 58 HE2 MET 58 29.857 -7.248 -7.248 416 HA PRO 59 HA PRO 59 25.971 -11.319 -11.319 417 1HB PRO 59 HB2 PRO 59 24.955 -10.199 -10.199 418 2HB PRO 59 HB1 PRO 59 25.014 -11.935 -11.935 419 1HG PRO 59 HG2 PRO 59 26.718 -10.276 -10.276 420 2HG PRO 59 HG1 PRO 59 26.323 -11.997 -11.997 421 1HD PRO 59 HD2 PRO 59 28.729 -10.930 -10.930 422 2HD PRO 59 HD1 PRO 59 28.195 -12.592 -12.592 423 H ALA 60 HN ALA 60 26.183 -9.706 -9.706 424 HA ALA 60 HA ALA 60 27.102 -7.076 -7.076 425 1HB ALA 60 HB3 ALA 60 25.323 -8.448 -8.448 426 2HB ALA 60 HB2 ALA 60 25.546 -6.700 -6.700 427 3HB ALA 60 HB1 ALA 60 26.936 -7.774 -7.774 428 H PHE 61 HN PHE 61 26.187 -5.749 -5.749 429 HA PHE 61 HA PHE 61 23.361 -5.881 -5.881 430 1HB PHE 61 HB2 PHE 61 25.482 -3.883 -3.883 431 2HB PHE 61 HB1 PHE 61 23.856 -3.982 -3.982 432 HD1 PHE 61 HD1 PHE 61 23.138 -6.336 -6.336 433 HD2 PHE 61 HD2 PHE 61 27.209 -5.122 -5.122 434 HE1 PHE 61 HE1 PHE 61 23.862 -8.103 -8.103 435 HE2 PHE 61 HE2 PHE 61 27.946 -6.892 -6.892 436 HZ PHE 61 HZ PHE 61 26.267 -8.378 -8.378 437 H ALA 62 HN ALA 62 25.567 -3.718 -3.718 438 HA ALA 62 HA ALA 62 25.154 -1.894 -1.894 439 1HB ALA 62 HB2 ALA 62 24.347 -3.818 -3.818 440 2HB ALA 62 HB1 ALA 62 22.729 -3.571 -3.571 441 3HB ALA 62 HB3 ALA 62 23.473 -2.325 -2.325 442 H GLY 63 HN GLY 63 23.730 -2.066 -2.066 443 1HA GLY 63 HA2 GLY 63 22.738 0.115 0.115 444 2HA GLY 63 HA1 GLY 63 21.628 -0.028 -0.028 445 H ARG 64 HN ARG 64 22.817 -2.468 -2.468 446 HA ARG 64 HA ARG 64 19.995 -3.196 -3.196 447 1HB ARG 64 HB2 ARG 64 22.041 -4.792 -4.792 448 2HB ARG 64 HB1 ARG 64 22.274 -4.830 -4.830 449 1HG ARG 64 HG2 ARG 64 19.921 -5.503 -5.503 450 2HG ARG 64 HG1 ARG 64 19.694 -5.474 -5.474 451 1HD ARG 64 HD2 ARG 64 21.637 -7.094 -7.094 452 2HD ARG 64 HD1 ARG 64 21.526 -7.263 -7.263 453 HE ARG 64 HE ARG 64 19.355 -8.058 -8.058 454 1HH1 ARG 64 HH21 ARG 64 17.614 -8.381 -8.381 455 2HH1 ARG 64 HH22 ARG 64 18.103 -9.549 -9.549 456 1HH2 ARG 64 HH11 ARG 64 21.447 -9.463 -9.463 457 2HH2 ARG 64 HH12 ARG 64 20.273 -10.162 -10.162 458 H LEU 65 HN LEU 65 23.207 -2.859 -2.859 459 HA LEU 65 HA LEU 65 22.259 -2.623 -2.623 460 1HB LEU 65 HB2 LEU 65 24.718 -1.256 -1.256 461 2HB LEU 65 HB1 LEU 65 24.446 -1.793 -1.793 462 HG LEU 65 HG LEU 65 25.667 -3.603 -3.603 463 1HD1 LEU 65 HD12 LEU 65 23.101 -4.300 -4.300 464 2HD1 LEU 65 HD11 LEU 65 23.527 -4.581 -4.581 465 3HD1 LEU 65 HD13 LEU 65 24.383 -5.440 -5.440 466 1HD2 LEU 65 HD21 LEU 65 26.083 -2.271 -2.271 467 2HD2 LEU 65 HD23 LEU 65 26.450 -3.995 -3.995 468 3HD2 LEU 65 HD22 LEU 65 24.957 -3.431 -3.431 469 H THR 66 HN THR 66 23.653 -0.040 -0.040 470 HA THR 66 HA THR 66 21.389 1.720 1.720 471 HB THR 66 HB THR 66 23.688 2.259 2.259 472 HG1 THR 66 HG1 THR 66 21.040 1.342 1.342 473 1HG2 THR 66 HG23 THR 66 22.396 4.167 4.167 474 2HG2 THR 66 HG22 THR 66 21.048 3.678 3.678 475 3HG2 THR 66 HG21 THR 66 22.562 4.217 4.217 476 H ASP 67 HN ASP 67 21.888 3.807 3.807 477 HA ASP 67 HA ASP 67 23.854 3.642 3.642 478 1HB ASP 67 HB2 ASP 67 21.703 5.172 5.172 479 2HB ASP 67 HB1 ASP 67 22.873 6.303 6.303 480 H GLU 68 HN GLU 68 23.688 5.622 5.622 481 HA GLU 68 HA GLU 68 26.333 6.681 6.681 482 1HB GLU 68 HB2 GLU 68 24.674 7.742 7.742 483 2HB GLU 68 HB1 GLU 68 24.456 6.266 6.266 484 1HG GLU 68 HG2 GLU 68 26.363 6.615 6.615 485 2HG GLU 68 HG1 GLU 68 27.235 7.289 7.289 486 H GLN 69 HN GLN 69 25.549 3.477 3.477 487 HA GLN 69 HA GLN 69 27.911 3.014 3.014 488 1HB GLN 69 HB2 GLN 69 25.342 1.618 1.618 489 2HB GLN 69 HB1 GLN 69 26.778 0.642 0.642 490 1HG GLN 69 HG2 GLN 69 26.256 1.364 1.364 491 2HG GLN 69 HG1 GLN 69 27.353 2.633 2.633 492 1HE2 GLN 69 HE22 GLN 69 24.879 5.131 5.131 493 2HE2 GLN 69 HE21 GLN 69 26.526 4.732 4.732 494 H ILE 70 HN ILE 70 26.402 2.366 2.366 495 HA ILE 70 HA ILE 70 28.230 0.253 0.253 496 HB ILE 70 HB ILE 70 27.089 2.475 2.475 497 1HG1 ILE 70 HG12 ILE 70 25.835 -0.138 -0.138 498 2HG1 ILE 70 HG11 ILE 70 25.724 0.477 0.477 499 1HG2 ILE 70 HG21 ILE 70 29.064 0.743 0.743 500 2HG2 ILE 70 HG23 ILE 70 27.659 -0.252 -0.252 501 3HG2 ILE 70 HG22 ILE 70 27.870 1.316 1.316 502 1HD1 ILE 70 HD13 ILE 70 25.208 2.702 2.702 503 2HD1 ILE 70 HD12 ILE 70 24.361 1.394 1.394 504 3HD1 ILE 70 HD11 ILE 70 24.013 1.740 1.740 505 H GLN 71 HN GLN 71 28.367 3.567 3.567 506 HA GLN 71 HA GLN 71 31.053 4.035 4.035 507 1HB GLN 71 HB2 GLN 71 28.784 5.620 5.620 508 2HB GLN 71 HB1 GLN 71 30.407 6.283 6.283 509 1HG GLN 71 HG2 GLN 71 29.175 7.018 7.018 510 2HG GLN 71 HG1 GLN 71 30.711 6.215 6.215 511 1HE2 GLN 71 HE22 GLN 71 27.201 4.328 4.328 512 2HE2 GLN 71 HE21 GLN 71 27.172 5.662 5.662 513 H ASP 72 HN ASP 72 29.323 4.754 4.754 514 HA ASP 72 HA ASP 72 31.460 4.942 4.942 515 1HB ASP 72 HB2 ASP 72 28.588 4.113 4.113 516 2HB ASP 72 HB1 ASP 72 29.704 4.176 4.176 517 H VAL 73 HN VAL 73 29.529 2.056 2.056 518 HA VAL 73 HA VAL 73 30.764 0.250 0.250 519 HB VAL 73 HB VAL 73 28.745 -0.033 -0.033 520 1HG1 VAL 73 HG13 VAL 73 30.520 0.046 0.046 521 2HG1 VAL 73 HG12 VAL 73 30.855 -1.620 -1.620 522 3HG1 VAL 73 HG11 VAL 73 29.241 -1.165 -1.165 523 1HG2 VAL 73 HG21 VAL 73 30.645 -2.193 -2.193 524 2HG2 VAL 73 HG23 VAL 73 29.205 -1.611 -1.611 525 3HG2 VAL 73 HG22 VAL 73 29.046 -2.520 -2.520 526 H ALA 74 HN ALA 74 31.935 1.551 1.551 527 HA ALA 74 HA ALA 74 34.118 -0.402 -0.402 528 1HB ALA 74 HB1 ALA 74 33.322 2.057 2.057 529 2HB ALA 74 HB3 ALA 74 34.944 1.390 1.390 530 3HB ALA 74 HB2 ALA 74 33.535 0.405 0.405 531 H ALA 75 HN ALA 75 34.054 3.170 3.170 532 HA ALA 75 HA ALA 75 36.676 3.447 3.447 533 1HB ALA 75 HB1 ALA 75 34.119 4.969 4.969 534 2HB ALA 75 HB3 ALA 75 35.293 5.307 5.307 535 3HB ALA 75 HB2 ALA 75 35.740 5.540 5.540 536 H TYR 76 HN TYR 76 33.835 2.070 2.070 537 HA TYR 76 HA TYR 76 34.353 2.147 2.147 538 1HB TYR 76 HB2 TYR 76 32.128 1.709 1.709 539 2HB TYR 76 HB1 TYR 76 32.651 0.486 0.486 540 HD1 TYR 76 HD1 TYR 76 32.202 1.228 1.228 541 HD2 TYR 76 HD2 TYR 76 32.981 -1.788 -1.788 542 HE1 TYR 76 HE1 TYR 76 31.828 -0.425 -0.425 543 HE2 TYR 76 HE2 TYR 76 32.576 -3.512 -3.512 544 HH TYR 76 HH TYR 76 31.595 -3.822 -3.822 545 H VAL 77 HN VAL 77 34.906 -0.342 -0.342 546 HA VAL 77 HA VAL 77 36.164 -2.177 -2.177 547 HB VAL 77 HB VAL 77 35.333 -3.084 -3.084 548 1HG1 VAL 77 HG11 VAL 77 36.826 -0.844 -0.844 549 2HG1 VAL 77 HG13 VAL 77 36.292 -2.244 -2.244 550 3HG1 VAL 77 HG12 VAL 77 35.105 -1.229 -1.229 551 1HG2 VAL 77 HG22 VAL 77 37.917 -3.527 -3.527 552 2HG2 VAL 77 HG21 VAL 77 37.132 -4.376 -4.376 553 3HG2 VAL 77 HG23 VAL 77 38.144 -2.973 -2.973 554 H LEU 78 HN LEU 78 37.093 0.736 0.736 555 HA LEU 78 HA LEU 78 39.987 0.193 0.193 556 1HB LEU 78 HB2 LEU 78 38.691 2.907 2.907 557 2HB LEU 78 HB1 LEU 78 40.280 2.394 2.394 558 HG LEU 78 HG LEU 78 37.574 1.764 1.764 559 1HD1 LEU 78 HD11 LEU 78 39.478 3.579 3.579 560 2HD1 LEU 78 HD13 LEU 78 40.005 2.206 2.206 561 3HD1 LEU 78 HD12 LEU 78 38.379 2.856 2.856 562 1HD2 LEU 78 HD23 LEU 78 38.801 -0.407 -0.407 563 2HD2 LEU 78 HD22 LEU 78 38.516 -0.033 -0.033 564 3HD2 LEU 78 HD21 LEU 78 40.112 0.225 0.225 565 H ASP 79 HN ASP 79 37.523 1.162 1.162 566 HA ASP 79 HA ASP 79 39.323 2.540 2.540 567 1HB ASP 79 HB2 ASP 79 36.752 3.055 3.055 568 2HB ASP 79 HB1 ASP 79 36.491 1.948 1.948 569 H GLN 80 HN GLN 80 37.289 -0.296 -0.296 570 HA GLN 80 HA GLN 80 37.892 -1.364 -1.364 571 1HB GLN 80 HB2 GLN 80 36.728 -2.808 -2.808 572 2HB GLN 80 HB1 GLN 80 36.442 -3.086 -3.086 573 1HG GLN 80 HG2 GLN 80 35.763 -0.372 -0.372 574 2HG GLN 80 HG1 GLN 80 34.892 -1.553 -1.553 575 1HE2 GLN 80 HE22 GLN 80 33.385 -0.860 -0.860 576 2HE2 GLN 80 HE21 GLN 80 34.171 0.234 0.234 577 H ALA 81 HN ALA 81 38.908 -1.902 -1.902 578 HA ALA 81 HA ALA 81 40.452 -4.232 -4.232 579 1HB ALA 81 HB1 ALA 81 40.727 -1.778 -1.778 580 2HB ALA 81 HB3 ALA 81 41.925 -3.069 -3.069 581 3HB ALA 81 HB2 ALA 81 40.238 -3.404 -3.404 582 H ALA 82 HN ALA 82 41.139 -0.963 -0.963 583 HA ALA 82 HA ALA 82 43.903 -1.619 -1.619 584 1HB ALA 82 HB1 ALA 82 42.348 0.793 0.793 585 2HB ALA 82 HB3 ALA 82 43.235 0.836 0.836 586 3HB ALA 82 HB2 ALA 82 44.101 0.596 0.596 587 H LYS 83 HN LYS 83 40.810 -1.478 -1.478 588 HA LYS 83 HA LYS 83 41.716 -2.903 -2.903 589 1HB LYS 83 HB2 LYS 83 42.279 -1.316 -1.316 590 2HB LYS 83 HB1 LYS 83 42.799 -0.450 -0.450 591 1HG LYS 83 HG2 LYS 83 40.066 -0.154 -0.154 592 2HG LYS 83 HG1 LYS 83 41.405 0.980 0.980 593 1HD LYS 83 HD2 LYS 83 41.056 0.546 0.546 594 2HD LYS 83 HD1 LYS 83 39.460 0.859 0.859 595 1HE LYS 83 HE2 LYS 83 39.988 3.050 3.050 596 2HE LYS 83 HE1 LYS 83 41.165 2.693 2.693 597 1HZ LYS 83 HZ3 LYS 83 42.483 1.930 1.930 598 2HZ LYS 83 HZ2 LYS 83 41.577 3.233 3.233 599 3HZ LYS 83 HZ1 LYS 83 42.624 3.463 3.463 600 H GLY 84 HN GLY 84 39.397 -0.755 -0.755 601 1HA GLY 84 HA2 GLY 84 37.401 -0.850 -0.850 602 2HA GLY 84 HA1 GLY 84 37.099 -0.484 -0.484 603 H TRP 85 HN TRP 85 38.518 -3.334 -3.334 604 HA TRP 85 HA TRP 85 36.057 -4.683 -4.683 605 1HB TRP 85 HB2 TRP 85 38.885 -5.735 -5.735 606 2HB TRP 85 HB1 TRP 85 37.505 -6.806 -6.806 607 HD1 TRP 85 HD1 TRP 85 39.888 -5.721 -5.721 608 HE1 TRP 85 HE1 TRP 85 39.011 -4.999 -4.999 609 HE3 TRP 85 HE3 TRP 85 34.989 -5.032 -5.032 610 HZ2 TRP 85 HZ2 TRP 85 36.537 -4.196 -4.196 611 HZ3 TRP 85 HZ3 TRP 85 33.425 -4.236 -4.236 612 HH2 TRP 85 HH2 TRP 85 34.156 -3.808 -3.808 613 H ALA 86 HN ALA 86 34.994 -4.535 -4.535 614 HA ALA 86 HA ALA 86 36.060 -4.999 -4.999 615 1HB ALA 86 HB2 ALA 86 33.330 -5.467 -5.467 616 2HB ALA 86 HB1 ALA 86 33.665 -6.016 -6.016 617 3HB ALA 86 HB3 ALA 86 33.833 -4.309 -4.309 618 H GLY 87 HN GLY 87 35.423 -7.283 -7.283 619 1HA GLY 87 HA2 GLY 87 35.567 -9.641 -9.641 620 2HA GLY 87 HA1 GLY 87 37.043 -9.331 -9.331 621 HHA HEC 88 HA HEM 88 36.207 -10.832 -10.832 622 HHB HEC 88 HB HEM 88 34.120 -6.007 -6.007 623 HHC HEC 88 HC HEM 88 28.430 -8.815 -8.815 624 HHD HEC 88 HD HEM 88 30.868 -13.994 -13.994 625 1HMA HEC 88 HMA1 HEM 88 36.706 -5.524 -5.524 626 2HMA HEC 88 HMA2 HEM 88 37.698 -6.600 -6.600 627 3HMA HEC 88 HMA3 HEM 88 36.189 -5.838 -5.838 628 1HAA HEC 88 HAA1 HEM 88 37.986 -9.647 -9.647 629 2HAA HEC 88 HAA2 HEM 88 38.354 -7.939 -7.939 630 1HBA HEC 88 HBA1 HEM 88 36.705 -8.722 -8.722 631 2HBA HEC 88 HBA2 HEM 88 37.393 -7.099 -7.099 632 1HMB HEC 88 HMB1 HEM 88 31.437 -5.020 -5.020 633 2HMB HEC 88 HMB2 HEM 88 31.619 -4.186 -4.186 634 3HMB HEC 88 HMB3 HEM 88 33.025 -5.054 -5.054 635 HAB HEC 88 HAB HEM 88 28.230 -7.058 -7.058 636 1HBB HEC 88 HBB1 HEM 88 28.399 -5.436 -5.436 637 2HBB HEC 88 HBB2 HEM 88 27.797 -4.551 -4.551 638 3HBB HEC 88 HBB3 HEM 88 29.524 -4.396 -4.396 639 1HMC HEC 88 HMC1 HEM 88 27.175 -10.741 -10.741 640 2HMC HEC 88 HMC2 HEM 88 26.551 -10.469 -10.469 641 3HMC HEC 88 HMC3 HEM 88 26.605 -12.142 -12.142 642 HAC HEC 88 HAC HEM 88 29.343 -14.522 -14.522 643 1HBC HEC 88 HBC1 HEM 88 27.442 -14.012 -14.012 644 2HBC HEC 88 HBC2 HEM 88 26.960 -15.200 -15.200 645 3HBC HEC 88 HBC3 HEM 88 26.456 -13.475 -13.475 646 1HMD HEC 88 HMD1 HEM 88 31.908 -15.129 -15.129 647 2HMD HEC 88 HMD2 HEM 88 33.295 -15.109 -15.109 648 3HMD HEC 88 HMD3 HEM 88 33.550 -15.657 -15.657 649 1HAD HEC 88 HAD1 HEM 88 35.625 -14.407 -14.407 650 2HAD HEC 88 HAD2 HEM 88 36.523 -12.899 -12.899 651 1HBD HEC 88 HBD1 HEM 88 35.323 -13.687 -13.687 652 2HBD HEC 88 HBD2 HEM 88 34.502 -12.188 -12.188 Start of MODEL 13 1 1H ALA 1 HT3 ALA 1 34.263 8.227 8.227 2 2H ALA 1 HT2 ALA 1 35.074 8.499 8.499 3 3H ALA 1 HT1 ALA 1 35.611 9.254 9.254 4 HA ALA 1 HA ALA 1 33.745 10.665 10.665 5 1HB ALA 1 HB3 ALA 1 35.561 10.721 10.721 6 2HB ALA 1 HB2 ALA 1 34.011 10.809 10.809 7 3HB ALA 1 HB1 ALA 1 34.421 12.010 12.010 8 H ASP 2 HN ASP 2 31.691 9.834 9.834 9 HA ASP 2 HA ASP 2 29.482 9.288 9.288 10 1HB ASP 2 HB2 ASP 2 30.263 9.250 9.250 11 2HB ASP 2 HB1 ASP 2 28.734 9.743 9.743 12 H LEU 3 HN LEU 3 32.118 7.427 7.427 13 HA LEU 3 HA LEU 3 31.037 5.196 5.196 14 1HB LEU 3 HB2 LEU 3 33.339 5.239 5.239 15 2HB LEU 3 HB1 LEU 3 32.992 3.956 3.956 16 HG LEU 3 HG LEU 3 34.076 6.713 6.713 17 1HD1 LEU 3 HD13 LEU 3 35.448 4.571 4.571 18 2HD1 LEU 3 HD12 LEU 3 34.625 4.078 4.078 19 3HD1 LEU 3 HD11 LEU 3 35.636 5.525 5.525 20 1HD2 LEU 3 HD21 LEU 3 32.367 5.109 5.109 21 2HD2 LEU 3 HD23 LEU 3 32.156 6.792 6.792 22 3HD2 LEU 3 HD22 LEU 3 33.514 6.335 6.335 23 H ALA 4 HN ALA 4 30.150 6.458 6.458 24 HA ALA 4 HA ALA 4 29.876 4.095 4.095 25 1HB ALA 4 HB3 ALA 4 28.985 6.889 6.889 26 2HB ALA 4 HB2 ALA 4 27.765 5.769 5.769 27 3HB ALA 4 HB1 ALA 4 29.374 5.795 5.795 28 H ASN 5 HN ASN 5 28.160 5.599 5.599 29 HA ASN 5 HA ASN 5 25.720 4.055 4.055 30 1HB ASN 5 HB2 ASN 5 26.835 6.126 6.126 31 2HB ASN 5 HB1 ASN 5 26.305 4.814 4.814 32 1HD2 ASN 5 HD22 ASN 5 23.283 6.872 6.872 33 2HD2 ASN 5 HD21 ASN 5 24.769 6.978 6.978 34 H GLY 6 HN GLY 6 28.917 3.601 3.601 35 1HA GLY 6 HA2 GLY 6 28.442 1.459 1.459 36 2HA GLY 6 HA1 GLY 6 29.955 1.732 1.732 37 H ALA 7 HN ALA 7 29.717 1.163 1.163 38 HA ALA 7 HA ALA 7 29.458 -1.551 -1.551 39 1HB ALA 7 HB1 ALA 7 29.563 0.764 0.764 40 2HB ALA 7 HB3 ALA 7 28.446 -0.432 -0.432 41 3HB ALA 7 HB2 ALA 7 30.116 -0.885 -0.885 42 H LYS 8 HN LYS 8 26.889 0.845 0.845 43 HA LYS 8 HA LYS 8 24.833 -0.869 -0.869 44 1HB LYS 8 HB2 LYS 8 24.288 1.432 1.432 45 2HB LYS 8 HB1 LYS 8 24.799 1.612 1.612 46 1HG LYS 8 HG2 LYS 8 22.662 -0.384 -0.384 47 2HG LYS 8 HG1 LYS 8 22.191 1.266 1.266 48 1HD LYS 8 HD2 LYS 8 23.363 0.315 0.315 49 2HD LYS 8 HD1 LYS 8 21.718 0.891 0.891 50 1HE LYS 8 HE2 LYS 8 23.534 2.857 2.857 51 2HE LYS 8 HE1 LYS 8 24.037 2.420 2.420 52 1HZ LYS 8 HZ2 LYS 8 21.260 2.608 2.608 53 2HZ LYS 8 HZ1 LYS 8 21.836 3.982 3.982 54 3HZ LYS 8 HZ3 LYS 8 22.368 3.647 3.647 55 H VAL 9 HN VAL 9 25.788 -0.011 -0.011 56 HA VAL 9 HA VAL 9 23.975 -1.894 -1.894 57 HB VAL 9 HB VAL 9 26.371 -0.337 -0.337 58 1HG1 VAL 9 HG11 VAL 9 26.542 -2.622 -2.622 59 2HG1 VAL 9 HG13 VAL 9 24.914 -2.416 -2.416 60 3HG1 VAL 9 HG12 VAL 9 26.217 -1.360 -1.360 61 1HG2 VAL 9 HG21 VAL 9 23.414 -0.482 -0.482 62 2HG2 VAL 9 HG23 VAL 9 24.382 0.927 0.927 63 3HG2 VAL 9 HG22 VAL 9 24.493 0.243 0.243 64 H PHE 10 HN PHE 10 27.554 -2.032 -2.032 65 HA PHE 10 HA PHE 10 27.887 -4.665 -4.665 66 1HB PHE 10 HB2 PHE 10 29.775 -3.177 -3.177 67 2HB PHE 10 HB1 PHE 10 29.373 -3.221 -3.221 68 HD1 PHE 10 HD1 PHE 10 29.216 -5.521 -5.521 69 HD2 PHE 10 HD2 PHE 10 31.237 -4.850 -4.850 70 HE1 PHE 10 HE1 PHE 10 30.450 -7.610 -7.610 71 HE2 PHE 10 HE2 PHE 10 32.474 -6.967 -6.967 72 HZ PHE 10 HZ PHE 10 32.090 -8.359 -8.359 73 H SER 11 HN SER 11 26.551 -3.514 -3.514 74 HA SER 11 HA SER 11 26.710 -6.138 -6.138 75 1HB SER 11 HB2 SER 11 26.896 -4.277 -4.277 76 2HB SER 11 HB1 SER 11 25.479 -3.490 -3.490 77 HG SER 11 HG SER 11 24.442 -4.483 -4.483 78 H GLY 12 HN GLY 12 25.154 -5.702 -5.702 79 1HA GLY 12 HA2 GLY 12 22.844 -7.251 -7.251 80 2HA GLY 12 HA1 GLY 12 22.421 -5.626 -5.626 81 H ASN 13 HN ASN 13 25.226 -6.870 -6.870 82 HA ASN 13 HA ASN 13 23.722 -8.156 -8.156 83 1HB ASN 13 HB2 ASN 13 25.223 -6.408 -6.408 84 2HB ASN 13 HB1 ASN 13 23.505 -6.208 -6.208 85 1HD2 ASN 13 HD22 ASN 13 23.990 -3.384 -3.384 86 2HD2 ASN 13 HD21 ASN 13 22.879 -4.469 -4.469 87 H CYS 14 HN CYS 14 26.856 -6.752 -6.752 88 HA CYS 14 HA CYS 14 28.329 -8.743 -8.743 89 1HB CYS 14 HB2 CYS 14 29.606 -7.061 -7.061 90 2HB CYS 14 HB1 CYS 14 30.230 -7.515 -7.515 91 H ALA 15 HN ALA 15 27.292 -8.292 -8.292 92 HA ALA 15 HA ALA 15 28.959 -9.882 -9.882 93 1HB ALA 15 HB1 ALA 15 25.935 -9.833 -9.833 94 2HB ALA 15 HB3 ALA 15 26.939 -10.531 -10.531 95 3HB ALA 15 HB2 ALA 15 27.028 -8.802 -8.802 96 H ALA 16 HN ALA 16 26.424 -11.065 -11.065 97 HA ALA 16 HA ALA 16 26.528 -13.801 -13.801 98 1HB ALA 16 HB2 ALA 16 25.758 -12.205 -12.205 99 2HB ALA 16 HB1 ALA 16 26.124 -13.903 -13.903 100 3HB ALA 16 HB3 ALA 16 24.867 -13.468 -13.468 101 H CYS 17 HN CYS 17 28.514 -12.106 -12.106 102 HA CYS 17 HA CYS 17 30.269 -14.515 -14.515 103 1HB CYS 17 HB2 CYS 17 29.635 -12.391 -12.391 104 2HB CYS 17 HB1 CYS 17 31.158 -13.256 -13.256 105 H HIS 18 HN HIS 18 30.307 -12.155 -12.155 106 HA HIS 18 HA HIS 18 33.210 -11.774 -11.774 107 1HB HIS 18 HB2 HIS 18 31.252 -9.473 -9.473 108 2HB HIS 18 HB1 HIS 18 32.956 -9.286 -9.286 109 HD1 HIS 18 HD1 HIS 18 34.655 -10.057 -10.057 110 HD2 HIS 18 HD2 HIS 18 30.727 -10.099 -10.099 111 HE1 HIS 18 HE1 HIS 18 34.766 -10.316 -10.316 112 H MET 19 HN MET 19 30.569 -10.000 -10.000 113 HA MET 19 HA MET 19 30.351 -9.403 -9.403 114 1HB MET 19 HB2 MET 19 30.158 -11.512 -11.512 115 2HB MET 19 HB1 MET 19 29.113 -11.437 -11.437 116 1HG MET 19 HG2 MET 19 30.708 -12.808 -12.808 117 2HG MET 19 HG1 MET 19 31.798 -12.848 -12.848 118 1HE MET 19 HE3 MET 19 31.948 -15.339 -15.339 119 2HE MET 19 HE2 MET 19 30.599 -16.471 -16.471 120 3HE MET 19 HE1 MET 19 30.889 -15.460 -15.460 121 H GLY 20 HN GLY 20 32.102 -8.231 -8.231 122 1HA GLY 20 HA2 GLY 20 33.932 -7.920 -7.920 123 2HA GLY 20 HA1 GLY 20 34.030 -9.670 -9.670 124 H GLY 21 HN GLY 21 34.209 -7.566 -7.566 125 1HA GLY 21 HA2 GLY 21 35.654 -7.743 -7.743 126 2HA GLY 21 HA1 GLY 21 36.856 -7.434 -7.434 127 H GLY 22 HN GLY 22 34.873 -10.364 -10.364 128 1HA GLY 22 HA2 GLY 22 37.383 -11.864 -11.864 129 2HA GLY 22 HA1 GLY 22 36.216 -12.462 -12.462 130 H ASN 23 HN ASN 23 36.925 -12.112 -12.112 131 HA ASN 23 HA ASN 23 34.399 -12.718 -12.718 132 1HB ASN 23 HB2 ASN 23 36.963 -12.332 -12.332 133 2HB ASN 23 HB1 ASN 23 36.659 -14.030 -14.030 134 1HD2 ASN 23 HD22 ASN 23 35.270 -11.906 -11.906 135 2HD2 ASN 23 HD21 ASN 23 36.816 -12.063 -12.063 136 H VAL 24 HN VAL 24 34.300 -15.030 -15.030 137 HA VAL 24 HA VAL 24 35.139 -17.280 -17.280 138 HB VAL 24 HB VAL 24 32.522 -17.957 -17.957 139 1HG1 VAL 24 HG11 VAL 24 34.416 -17.180 -17.180 140 2HG1 VAL 24 HG13 VAL 24 32.940 -16.293 -16.293 141 3HG1 VAL 24 HG12 VAL 24 32.907 -18.053 -18.053 142 1HG2 VAL 24 HG23 VAL 24 32.224 -15.490 -15.490 143 2HG2 VAL 24 HG22 VAL 24 31.062 -16.164 -16.164 144 3HG2 VAL 24 HG21 VAL 24 32.326 -15.071 -15.071 145 H VAL 25 HN VAL 25 32.344 -17.010 -17.010 146 HA VAL 25 HA VAL 25 32.714 -19.302 -19.302 147 HB VAL 25 HB VAL 25 30.788 -18.042 -18.042 148 1HG1 VAL 25 HG13 VAL 25 32.649 -15.754 -15.754 149 2HG1 VAL 25 HG12 VAL 25 30.893 -15.718 -15.718 150 3HG1 VAL 25 HG11 VAL 25 31.632 -15.851 -15.851 151 1HG2 VAL 25 HG21 VAL 25 32.254 -19.020 -19.020 152 2HG2 VAL 25 HG23 VAL 25 30.769 -18.121 -18.121 153 3HG2 VAL 25 HG22 VAL 25 32.332 -17.319 -17.319 154 H MET 26 HN MET 26 34.438 -16.229 -16.229 155 HA MET 26 HA MET 26 35.772 -16.886 -16.886 156 1HB MET 26 HB2 MET 26 37.689 -15.433 -15.433 157 2HB MET 26 HB1 MET 26 36.151 -14.688 -14.688 158 1HG MET 26 HG2 MET 26 36.988 -14.091 -14.091 159 2HG MET 26 HG1 MET 26 35.378 -14.798 -14.798 160 1HE MET 26 HE3 MET 26 38.902 -14.913 -14.913 161 2HE MET 26 HE2 MET 26 38.583 -15.068 -15.068 162 3HE MET 26 HE1 MET 26 39.349 -16.395 -16.395 163 H ALA 27 HN ALA 27 38.514 -16.941 -16.941 164 HA ALA 27 HA ALA 27 38.886 -19.475 -19.475 165 1HB ALA 27 HB3 ALA 27 39.871 -18.722 -18.722 166 2HB ALA 27 HB2 ALA 27 40.695 -19.950 -19.950 167 3HB ALA 27 HB1 ALA 27 39.009 -20.177 -20.177 168 H ASN 28 HN ASN 28 39.668 -16.277 -16.277 169 HA ASN 28 HA ASN 28 41.774 -16.508 -16.508 170 1HB ASN 28 HB2 ASN 28 43.743 -16.026 -16.026 171 2HB ASN 28 HB1 ASN 28 42.939 -17.346 -17.346 172 1HD2 ASN 28 HD22 ASN 28 41.714 -15.056 -15.056 173 2HD2 ASN 28 HD21 ASN 28 41.106 -16.303 -16.303 174 H LYS 29 HN LYS 29 40.228 -14.582 -14.582 175 HA LYS 29 HA LYS 29 41.220 -12.023 -12.023 176 1HB LYS 29 HB2 LYS 29 38.509 -12.832 -12.832 177 2HB LYS 29 HB1 LYS 29 39.086 -11.170 -11.170 178 1HG LYS 29 HG2 LYS 29 40.332 -11.451 -11.451 179 2HG LYS 29 HG1 LYS 29 41.069 -12.916 -12.916 180 1HD LYS 29 HD2 LYS 29 39.283 -14.284 -14.284 181 2HD LYS 29 HD1 LYS 29 38.268 -12.882 -12.882 182 1HE LYS 29 HE2 LYS 29 39.144 -12.704 -12.704 183 2HE LYS 29 HE1 LYS 29 40.772 -12.605 -12.605 184 1HZ LYS 29 HZ1 LYS 29 39.285 -15.135 -15.135 185 2HZ LYS 29 HZ3 LYS 29 40.456 -14.509 -14.509 186 3HZ LYS 29 HZ2 LYS 29 40.896 -14.984 -14.984 187 H THR 30 HN THR 30 41.008 -10.908 -10.908 188 HA THR 30 HA THR 30 38.602 -11.450 -11.450 189 HB THR 30 HB THR 30 41.311 -10.654 -10.654 190 HG1 THR 30 HG1 THR 30 40.344 -13.132 -13.132 191 1HG2 THR 30 HG23 THR 30 38.685 -11.511 -11.511 192 2HG2 THR 30 HG22 THR 30 40.124 -12.115 -12.115 193 3HG2 THR 30 HG21 THR 30 39.867 -10.378 -10.378 194 H LEU 31 HN LEU 31 38.417 -9.575 -9.575 195 HA LEU 31 HA LEU 31 38.371 -7.071 -7.071 196 1HB LEU 31 HB2 LEU 31 36.881 -8.223 -8.223 197 2HB LEU 31 HB1 LEU 31 36.961 -6.461 -6.461 198 HG LEU 31 HG LEU 31 35.796 -6.476 -6.476 199 1HD1 LEU 31 HD13 LEU 31 37.302 -8.198 -8.198 200 2HD1 LEU 31 HD12 LEU 31 36.297 -9.433 -9.433 201 3HD1 LEU 31 HD11 LEU 31 35.609 -8.324 -8.324 202 1HD2 LEU 31 HD21 LEU 31 34.793 -8.857 -8.857 203 2HD2 LEU 31 HD23 LEU 31 34.297 -7.182 -7.182 204 3HD2 LEU 31 HD22 LEU 31 33.898 -8.033 -8.033 205 H LYS 32 HN LYS 32 40.232 -8.501 -8.501 206 HA LYS 32 HA LYS 32 40.694 -6.294 -6.294 207 1HB LYS 32 HB2 LYS 32 43.062 -7.367 -7.367 208 2HB LYS 32 HB1 LYS 32 41.659 -8.308 -8.308 209 1HG LYS 32 HG2 LYS 32 42.008 -8.804 -8.804 210 2HG LYS 32 HG1 LYS 32 43.604 -8.925 -8.925 211 1HD LYS 32 HD2 LYS 32 41.201 -10.270 -10.270 212 2HD LYS 32 HD1 LYS 32 42.147 -11.059 -11.059 213 1HE LYS 32 HE2 LYS 32 44.111 -11.078 -11.078 214 2HE LYS 32 HE1 LYS 32 43.457 -9.889 -9.889 215 1HZ LYS 32 HZ3 LYS 32 41.799 -11.520 -11.520 216 2HZ LYS 32 HZ2 LYS 32 42.471 -12.665 -12.665 217 3HZ LYS 32 HZ1 LYS 32 43.373 -12.095 -12.095 218 H LYS 33 HN LYS 33 43.640 -7.037 -7.037 219 HA LYS 33 HA LYS 33 43.414 -4.700 -4.700 220 1HB LYS 33 HB2 LYS 33 45.167 -3.421 -3.421 221 2HB LYS 33 HB1 LYS 33 44.041 -3.832 -3.832 222 1HG LYS 33 HG2 LYS 33 45.493 -5.806 -5.806 223 2HG LYS 33 HG1 LYS 33 46.660 -5.217 -5.217 224 1HD LYS 33 HD2 LYS 33 45.692 -3.696 -3.696 225 2HD LYS 33 HD1 LYS 33 47.270 -4.463 -4.463 226 1HE LYS 33 HE2 LYS 33 47.823 -2.986 -2.986 227 2HE LYS 33 HE1 LYS 33 46.210 -2.273 -2.273 228 1HZ LYS 33 HZ2 LYS 33 47.016 -1.961 -1.961 229 2HZ LYS 33 HZ1 LYS 33 48.496 -1.804 -1.804 230 3HZ LYS 33 HZ3 LYS 33 47.199 -0.780 -0.780 231 H GLU 34 HN GLU 34 45.568 -7.103 -7.103 232 HA GLU 34 HA GLU 34 47.566 -7.016 -7.016 233 1HB GLU 34 HB2 GLU 34 48.140 -9.339 -9.339 234 2HB GLU 34 HB1 GLU 34 48.089 -8.080 -8.080 235 1HG GLU 34 HG2 GLU 34 45.887 -8.772 -8.772 236 2HG GLU 34 HG1 GLU 34 45.746 -9.892 -9.892 237 H ALA 35 HN ALA 35 44.629 -9.011 -9.011 238 HA ALA 35 HA ALA 35 45.265 -10.498 -10.498 239 1HB ALA 35 HB2 ALA 35 43.831 -11.274 -11.274 240 2HB ALA 35 HB1 ALA 35 42.535 -10.338 -10.338 241 3HB ALA 35 HB3 ALA 35 43.263 -11.685 -11.685 242 H LEU 36 HN LEU 36 42.736 -8.050 -8.050 243 HA LEU 36 HA LEU 36 41.866 -7.963 -7.963 244 1HB LEU 36 HB2 LEU 36 40.758 -5.819 -5.819 245 2HB LEU 36 HB1 LEU 36 40.392 -7.111 -7.111 246 HG LEU 36 HG LEU 36 42.726 -5.368 -5.368 247 1HD1 LEU 36 HD13 LEU 36 40.359 -4.144 -4.144 248 2HD1 LEU 36 HD12 LEU 36 40.099 -4.441 -4.441 249 3HD1 LEU 36 HD11 LEU 36 41.484 -3.489 -3.489 250 1HD2 LEU 36 HD23 LEU 36 40.987 -7.294 -7.294 251 2HD2 LEU 36 HD22 LEU 36 42.505 -6.615 -6.615 252 3HD2 LEU 36 HD21 LEU 36 40.982 -5.780 -5.780 253 H GLU 37 HN GLU 37 44.700 -6.899 -6.899 254 HA GLU 37 HA GLU 37 45.239 -5.166 -5.166 255 1HB GLU 37 HB2 GLU 37 45.355 -4.360 -4.360 256 2HB GLU 37 HB1 GLU 37 47.035 -4.770 -4.770 257 1HG GLU 37 HG2 GLU 37 45.653 -3.305 -3.305 258 2HG GLU 37 HG1 GLU 37 45.846 -2.381 -2.381 259 H GLN 38 HN GLN 38 45.823 -8.114 -8.114 260 HA GLN 38 HA GLN 38 48.637 -8.464 -8.464 261 1HB GLN 38 HB2 GLN 38 47.652 -10.226 -10.226 262 2HB GLN 38 HB1 GLN 38 46.217 -10.237 -10.237 263 1HG GLN 38 HG2 GLN 38 47.755 -12.213 -12.213 264 2HG GLN 38 HG1 GLN 38 47.418 -11.292 -11.292 265 1HE2 GLN 38 HE22 GLN 38 50.962 -10.042 -10.042 266 2HE2 GLN 38 HE21 GLN 38 49.515 -9.874 -9.874 267 H PHE 39 HN PHE 39 45.815 -9.065 -9.065 268 HA PHE 39 HA PHE 39 47.489 -9.552 -9.552 269 1HB PHE 39 HB2 PHE 39 45.025 -9.553 -9.553 270 2HB PHE 39 HB1 PHE 39 45.696 -10.940 -10.940 271 HD1 PHE 39 HD1 PHE 39 43.934 -7.759 -7.759 272 HD2 PHE 39 HD2 PHE 39 44.350 -11.985 -11.985 273 HE1 PHE 39 HE1 PHE 39 42.116 -7.692 -7.692 274 HE2 PHE 39 HE2 PHE 39 42.522 -11.916 -11.916 275 HZ PHE 39 HZ PHE 39 41.404 -9.766 -9.766 276 H GLY 40 HN GLY 40 45.493 -7.047 -7.047 277 1HA GLY 40 HA2 GLY 40 46.215 -4.720 -4.720 278 2HA GLY 40 HA1 GLY 40 46.330 -5.283 -5.283 279 H MET 41 HN MET 41 44.235 -4.049 -4.049 280 HA MET 41 HA MET 41 42.271 -2.940 -2.940 281 1HB MET 41 HB2 MET 41 40.448 -4.785 -4.785 282 2HB MET 41 HB1 MET 41 41.692 -4.896 -4.896 283 1HG MET 41 HG2 MET 41 42.600 -6.772 -6.772 284 2HG MET 41 HG1 MET 41 42.395 -6.177 -6.177 285 1HE MET 41 HE3 MET 41 40.674 -7.036 -7.036 286 2HE MET 41 HE2 MET 41 39.277 -8.037 -8.037 287 3HE MET 41 HE1 MET 41 39.189 -6.290 -6.290 288 H TYR 42 HN TYR 42 43.321 -2.593 -2.593 289 HA TYR 42 HA TYR 42 41.117 -3.293 -3.293 290 1HB TYR 42 HB2 TYR 42 42.825 -3.748 -3.748 291 2HB TYR 42 HB1 TYR 42 43.969 -3.261 -3.261 292 HD1 TYR 42 HD1 TYR 42 44.228 -0.609 -0.609 293 HD2 TYR 42 HD2 TYR 42 42.847 -2.629 -2.629 294 HE1 TYR 42 HE1 TYR 42 44.833 1.368 1.368 295 HE2 TYR 42 HE2 TYR 42 43.439 -0.664 -0.664 296 HH TYR 42 HH TYR 42 44.625 2.330 2.330 297 H SER 43 HN SER 43 41.356 -1.063 -1.063 298 HA SER 43 HA SER 43 41.055 1.294 1.294 299 1HB SER 43 HB2 SER 43 41.516 2.654 2.654 300 2HB SER 43 HB1 SER 43 42.660 1.310 1.310 301 HG SER 43 HG SER 43 41.373 1.907 1.907 302 H GLU 44 HN GLU 44 39.322 2.860 2.860 303 HA GLU 44 HA GLU 44 36.756 1.800 1.800 304 1HB GLU 44 HB2 GLU 44 37.924 4.398 4.398 305 2HB GLU 44 HB1 GLU 44 36.301 4.083 4.083 306 1HG GLU 44 HG2 GLU 44 35.649 3.453 3.453 307 2HG GLU 44 HG1 GLU 44 37.219 4.070 4.070 308 H ASP 45 HN ASP 45 38.267 3.044 3.044 309 HA ASP 45 HA ASP 45 36.259 2.080 2.080 310 1HB ASP 45 HB2 ASP 45 38.209 3.637 3.637 311 2HB ASP 45 HB1 ASP 45 39.134 2.160 2.160 312 H ALA 46 HN ALA 46 38.862 0.336 0.336 313 HA ALA 46 HA ALA 46 38.846 -1.964 -1.964 314 1HB ALA 46 HB2 ALA 46 39.714 -1.602 -1.602 315 2HB ALA 46 HB1 ALA 46 39.935 -3.098 -3.098 316 3HB ALA 46 HB3 ALA 46 40.744 -1.625 -1.625 317 H ILE 47 HN ILE 47 37.770 -1.889 -1.889 318 HA ILE 47 HA ILE 47 36.140 -4.216 -4.216 319 HB ILE 47 HB ILE 47 36.928 -3.446 -3.446 320 1HG1 ILE 47 HG12 ILE 47 34.003 -2.698 -2.698 321 2HG1 ILE 47 HG11 ILE 47 34.521 -4.373 -4.373 322 1HG2 ILE 47 HG22 ILE 47 36.152 -0.877 -0.877 323 2HG2 ILE 47 HG21 ILE 47 35.426 -1.146 -1.146 324 3HG2 ILE 47 HG23 ILE 47 37.174 -1.258 -1.258 325 1HD1 ILE 47 HD11 ILE 47 36.129 -3.426 -3.426 326 2HD1 ILE 47 HD13 ILE 47 34.606 -2.587 -2.587 327 3HD1 ILE 47 HD12 ILE 47 34.643 -4.349 -4.349 328 H ILE 48 HN ILE 48 35.577 -0.858 -0.858 329 HA ILE 48 HA ILE 48 32.718 -0.846 -0.846 330 HB ILE 48 HB ILE 48 34.795 0.874 0.874 331 1HG1 ILE 48 HG12 ILE 48 32.705 1.490 1.490 332 2HG1 ILE 48 HG11 ILE 48 34.378 1.072 1.072 333 1HG2 ILE 48 HG23 ILE 48 31.782 1.088 1.088 334 2HG2 ILE 48 HG22 ILE 48 32.894 2.389 2.389 335 3HG2 ILE 48 HG21 ILE 48 32.912 0.882 0.882 336 1HD1 ILE 48 HD12 ILE 48 34.859 3.023 3.023 337 2HD1 ILE 48 HD11 ILE 48 33.266 3.560 3.560 338 3HD1 ILE 48 HD13 ILE 48 34.570 3.374 3.374 339 H TYR 49 HN TYR 49 35.048 -2.097 -2.097 340 HA TYR 49 HA TYR 49 33.037 -2.270 -2.270 341 1HB TYR 49 HB2 TYR 49 35.225 -1.720 -1.720 342 2HB TYR 49 HB1 TYR 49 35.967 -3.009 -3.009 343 HD1 TYR 49 HD1 TYR 49 33.286 -2.548 -2.548 344 HD2 TYR 49 HD2 TYR 49 36.481 -5.006 -5.006 345 HE1 TYR 49 HE1 TYR 49 32.950 -4.116 -4.116 346 HE2 TYR 49 HE2 TYR 49 36.147 -6.577 -6.577 347 HH TYR 49 HH TYR 49 34.831 -5.989 -5.989 348 H GLN 50 HN GLN 50 35.155 -4.626 -4.626 349 HA GLN 50 HA GLN 50 33.760 -6.903 -6.903 350 1HB GLN 50 HB2 GLN 50 34.641 -8.040 -8.040 351 2HB GLN 50 HB1 GLN 50 35.856 -7.293 -7.293 352 1HG GLN 50 HG2 GLN 50 34.747 -5.401 -5.401 353 2HG GLN 50 HG1 GLN 50 35.485 -6.789 -6.789 354 1HE2 GLN 50 HE22 GLN 50 38.601 -5.140 -5.140 355 2HE2 GLN 50 HE21 GLN 50 37.457 -5.730 -5.730 356 H VAL 51 HN VAL 51 32.763 -4.502 -4.502 357 HA VAL 51 HA VAL 51 30.707 -6.267 -6.267 358 HB VAL 51 HB VAL 51 31.416 -3.380 -3.380 359 1HG1 VAL 51 HG11 VAL 51 29.410 -5.307 -5.307 360 2HG1 VAL 51 HG13 VAL 51 30.159 -4.149 -4.149 361 3HG1 VAL 51 HG12 VAL 51 29.255 -3.576 -3.576 362 1HG2 VAL 51 HG21 VAL 51 33.078 -5.381 -5.381 363 2HG2 VAL 51 HG23 VAL 51 32.791 -4.113 -4.113 364 3HG2 VAL 51 HG22 VAL 51 31.961 -5.663 -5.663 365 H GLN 52 HN GLN 52 31.029 -3.284 -3.284 366 HA GLN 52 HA GLN 52 28.300 -2.579 -2.579 367 1HB GLN 52 HB2 GLN 52 30.699 -1.980 -1.980 368 2HB GLN 52 HB1 GLN 52 29.171 -1.697 -1.697 369 1HG GLN 52 HG2 GLN 52 28.557 -0.578 -0.578 370 2HG GLN 52 HG1 GLN 52 30.304 -0.379 -0.379 371 1HE2 GLN 52 HE22 GLN 52 28.557 1.386 1.386 372 2HE2 GLN 52 HE21 GLN 52 28.121 -0.205 -0.205 373 H HIS 53 HN HIS 53 29.927 -5.218 -5.218 374 HA HIS 53 HA HIS 53 27.460 -6.015 -6.015 375 1HB HIS 53 HB2 HIS 53 29.779 -6.416 -6.416 376 2HB HIS 53 HB1 HIS 53 28.168 -5.899 -5.899 377 HD1 HIS 53 HD1 HIS 53 28.439 -3.726 -3.726 378 HD2 HIS 53 HD2 HIS 53 30.850 -3.877 -3.877 379 HE1 HIS 53 HE1 HIS 53 29.575 -1.468 -1.468 380 H GLY 54 HN GLY 54 29.291 -6.761 -6.761 381 1HA GLY 54 HA2 GLY 54 30.214 -8.737 -8.737 382 2HA GLY 54 HA1 GLY 54 29.225 -9.563 -9.563 383 H LYS 55 HN LYS 55 30.685 -10.925 -10.925 384 HA LYS 55 HA LYS 55 32.255 -10.609 -10.609 385 1HB LYS 55 HB2 LYS 55 33.581 -9.299 -9.299 386 2HB LYS 55 HB1 LYS 55 34.584 -10.537 -10.537 387 1HG LYS 55 HG2 LYS 55 34.566 -8.035 -8.035 388 2HG LYS 55 HG1 LYS 55 34.754 -9.427 -9.427 389 1HD LYS 55 HD2 LYS 55 31.939 -8.757 -8.757 390 2HD LYS 55 HD1 LYS 55 32.840 -7.424 -7.424 391 1HE LYS 55 HE2 LYS 55 33.307 -8.607 -8.607 392 2HE LYS 55 HE1 LYS 55 33.260 -10.168 -10.168 393 1HZ LYS 55 HZ3 LYS 55 30.742 -8.841 -8.841 394 2HZ LYS 55 HZ2 LYS 55 31.252 -9.047 -9.047 395 3HZ LYS 55 HZ1 LYS 55 31.114 -10.392 -10.392 396 H ASN 56 HN ASN 56 32.990 -12.583 -12.583 397 HA ASN 56 HA ASN 56 33.501 -14.858 -14.858 398 1HB ASN 56 HB2 ASN 56 34.355 -14.006 -14.006 399 2HB ASN 56 HB1 ASN 56 34.609 -15.629 -15.629 400 1HD2 ASN 56 HD22 ASN 56 36.885 -12.514 -12.514 401 2HD2 ASN 56 HD21 ASN 56 35.504 -12.200 -12.200 402 H ALA 57 HN ALA 57 32.645 -14.613 -14.613 403 HA ALA 57 HA ALA 57 30.002 -15.849 -15.849 404 1HB ALA 57 HB1 ALA 57 31.955 -16.801 -16.801 405 2HB ALA 57 HB3 ALA 57 30.327 -17.432 -17.432 406 3HB ALA 57 HB2 ALA 57 31.559 -17.657 -17.657 407 H MET 58 HN MET 58 30.341 -13.135 -13.135 408 HA MET 58 HA MET 58 29.237 -13.049 -13.049 409 1HB MET 58 HB2 MET 58 31.384 -12.096 -12.096 410 2HB MET 58 HB1 MET 58 31.220 -11.189 -11.189 411 1HG MET 58 HG2 MET 58 29.265 -9.969 -9.969 412 2HG MET 58 HG1 MET 58 29.867 -10.698 -10.698 413 1HE MET 58 HE3 MET 58 29.931 -8.552 -8.552 414 2HE MET 58 HE2 MET 58 31.064 -7.242 -7.242 415 3HE MET 58 HE1 MET 58 29.673 -7.475 -7.475 416 HA PRO 59 HA PRO 59 25.786 -11.049 -11.049 417 1HB PRO 59 HB2 PRO 59 24.725 -9.996 -9.996 418 2HB PRO 59 HB1 PRO 59 24.557 -11.690 -11.690 419 1HG PRO 59 HG2 PRO 59 26.282 -10.470 -10.470 420 2HG PRO 59 HG1 PRO 59 25.638 -12.113 -12.113 421 1HD PRO 59 HD2 PRO 59 28.268 -11.335 -11.335 422 2HD PRO 59 HD1 PRO 59 27.532 -12.881 -12.881 423 H ALA 60 HN ALA 60 25.989 -9.204 -9.204 424 HA ALA 60 HA ALA 60 27.401 -6.890 -6.890 425 1HB ALA 60 HB3 ALA 60 24.536 -7.075 -7.075 426 2HB ALA 60 HB2 ALA 60 25.647 -5.748 -5.748 427 3HB ALA 60 HB1 ALA 60 25.970 -7.356 -7.356 428 H PHE 61 HN PHE 61 26.731 -4.713 -4.713 429 HA PHE 61 HA PHE 61 24.659 -4.738 -4.738 430 1HB PHE 61 HB2 PHE 61 27.567 -4.319 -4.319 431 2HB PHE 61 HB1 PHE 61 26.387 -3.437 -3.437 432 HD1 PHE 61 HD1 PHE 61 24.482 -4.783 -4.783 433 HD2 PHE 61 HD2 PHE 61 28.048 -6.578 -6.578 434 HE1 PHE 61 HE1 PHE 61 24.038 -6.836 -6.836 435 HE2 PHE 61 HE2 PHE 61 27.611 -8.626 -8.626 436 HZ PHE 61 HZ PHE 61 25.606 -8.757 -8.757 437 H ALA 62 HN ALA 62 25.751 -3.337 -3.337 438 HA ALA 62 HA ALA 62 25.980 -0.591 -0.591 439 1HB ALA 62 HB3 ALA 62 26.211 -1.797 -1.797 440 2HB ALA 62 HB2 ALA 62 24.451 -1.765 -1.765 441 3HB ALA 62 HB1 ALA 62 25.359 -0.254 -0.254 442 H GLY 63 HN GLY 63 23.253 -2.693 -2.693 443 1HA GLY 63 HA2 GLY 63 21.661 -0.393 -0.393 444 2HA GLY 63 HA1 GLY 63 20.962 -1.346 -1.346 445 H ARG 64 HN ARG 64 22.945 -2.821 -2.821 446 HA ARG 64 HA ARG 64 20.522 -4.274 -4.274 447 1HB ARG 64 HB2 ARG 64 23.420 -4.910 -4.910 448 2HB ARG 64 HB1 ARG 64 22.580 -5.512 -5.512 449 1HG ARG 64 HG2 ARG 64 21.704 -5.964 -5.964 450 2HG ARG 64 HG1 ARG 64 22.525 -7.154 -7.154 451 1HD ARG 64 HD2 ARG 64 20.628 -6.760 -6.760 452 2HD ARG 64 HD1 ARG 64 19.776 -5.963 -5.963 453 HE ARG 64 HE ARG 64 19.431 -8.085 -8.085 454 1HH1 ARG 64 HH11 ARG 64 22.322 -8.949 -8.949 455 2HH1 ARG 64 HH12 ARG 64 22.234 -10.333 -10.333 456 1HH2 ARG 64 HH21 ARG 64 19.080 -9.548 -9.548 457 2HH2 ARG 64 HH22 ARG 64 20.396 -10.672 -10.672 458 H LEU 65 HN LEU 65 23.437 -2.558 -2.558 459 HA LEU 65 HA LEU 65 22.510 -2.189 -2.189 460 1HB LEU 65 HB2 LEU 65 24.852 -0.769 -0.769 461 2HB LEU 65 HB1 LEU 65 24.637 -1.302 -1.302 462 HG LEU 65 HG LEU 65 25.105 -3.074 -3.074 463 1HD1 LEU 65 HD12 LEU 65 26.887 -1.633 -1.633 464 2HD1 LEU 65 HD11 LEU 65 26.898 -3.237 -3.237 465 3HD1 LEU 65 HD13 LEU 65 27.288 -3.046 -3.046 466 1HD2 LEU 65 HD22 LEU 65 24.144 -3.578 -3.578 467 2HD2 LEU 65 HD21 LEU 65 23.846 -4.499 -4.499 468 3HD2 LEU 65 HD23 LEU 65 25.375 -4.685 -4.685 469 H THR 66 HN THR 66 23.640 0.422 0.422 470 HA THR 66 HA THR 66 21.413 2.004 2.004 471 HB THR 66 HB THR 66 23.414 2.619 2.619 472 HG1 THR 66 HG1 THR 66 21.567 1.173 1.173 473 1HG2 THR 66 HG21 THR 66 21.185 4.293 4.293 474 2HG2 THR 66 HG23 THR 66 22.048 4.680 4.680 475 3HG2 THR 66 HG22 THR 66 22.911 4.651 4.651 476 H ASP 67 HN ASP 67 22.085 4.230 4.230 477 HA ASP 67 HA ASP 67 24.126 3.986 3.986 478 1HB ASP 67 HB2 ASP 67 22.266 6.050 6.050 479 2HB ASP 67 HB1 ASP 67 23.807 6.710 6.710 480 H GLU 68 HN GLU 68 23.959 5.973 5.973 481 HA GLU 68 HA GLU 68 26.695 6.772 6.772 482 1HB GLU 68 HB2 GLU 68 24.868 7.894 7.894 483 2HB GLU 68 HB1 GLU 68 24.757 6.492 6.492 484 1HG GLU 68 HG2 GLU 68 26.646 7.074 7.074 485 2HG GLU 68 HG1 GLU 68 27.483 7.593 7.593 486 H GLN 69 HN GLN 69 25.634 3.643 3.643 487 HA GLN 69 HA GLN 69 27.792 3.046 3.046 488 1HB GLN 69 HB2 GLN 69 25.138 1.859 1.859 489 2HB GLN 69 HB1 GLN 69 26.463 0.746 0.746 490 1HG GLN 69 HG2 GLN 69 26.014 1.478 1.478 491 2HG GLN 69 HG1 GLN 69 27.123 2.746 2.746 492 1HE2 GLN 69 HE22 GLN 69 24.669 5.257 5.257 493 2HE2 GLN 69 HE21 GLN 69 26.297 4.838 4.838 494 H ILE 70 HN ILE 70 26.519 2.428 2.428 495 HA ILE 70 HA ILE 70 28.289 0.200 0.200 496 HB ILE 70 HB ILE 70 27.552 2.436 2.436 497 1HG1 ILE 70 HG12 ILE 70 25.964 0.080 0.080 498 2HG1 ILE 70 HG11 ILE 70 25.819 0.601 0.601 499 1HG2 ILE 70 HG23 ILE 70 29.241 0.235 0.235 500 2HG2 ILE 70 HG22 ILE 70 27.736 -0.301 -0.301 501 3HG2 ILE 70 HG21 ILE 70 28.540 1.158 1.158 502 1HD1 ILE 70 HD12 ILE 70 25.651 2.994 2.994 503 2HD1 ILE 70 HD11 ILE 70 24.997 1.993 1.993 504 3HD1 ILE 70 HD13 ILE 70 24.233 1.986 1.986 505 H GLN 71 HN GLN 71 28.546 3.514 3.514 506 HA GLN 71 HA GLN 71 31.322 3.812 3.812 507 1HB GLN 71 HB2 GLN 71 29.093 5.558 5.558 508 2HB GLN 71 HB1 GLN 71 30.750 6.135 6.135 509 1HG GLN 71 HG2 GLN 71 29.593 6.836 6.836 510 2HG GLN 71 HG1 GLN 71 31.033 5.860 5.860 511 1HE2 GLN 71 HE22 GLN 71 27.353 4.393 4.393 512 2HE2 GLN 71 HE21 GLN 71 27.499 5.864 5.864 513 H ASP 72 HN ASP 72 29.496 4.810 4.810 514 HA ASP 72 HA ASP 72 31.489 4.886 4.886 515 1HB ASP 72 HB2 ASP 72 28.576 4.110 4.110 516 2HB ASP 72 HB1 ASP 72 29.608 4.223 4.223 517 H VAL 73 HN VAL 73 29.508 2.074 2.074 518 HA VAL 73 HA VAL 73 30.618 0.255 0.255 519 HB VAL 73 HB VAL 73 28.553 0.118 0.118 520 1HG1 VAL 73 HG12 VAL 73 30.296 -0.186 -0.186 521 2HG1 VAL 73 HG11 VAL 73 30.492 -1.817 -1.817 522 3HG1 VAL 73 HG13 VAL 73 28.919 -1.287 -1.287 523 1HG2 VAL 73 HG23 VAL 73 29.091 -1.315 -1.315 524 2HG2 VAL 73 HG22 VAL 73 28.345 -2.194 -2.194 525 3HG2 VAL 73 HG21 VAL 73 30.082 -2.316 -2.316 526 H ALA 74 HN ALA 74 31.771 1.259 1.259 527 HA ALA 74 HA ALA 74 33.761 -0.863 -0.863 528 1HB ALA 74 HB2 ALA 74 32.913 1.399 1.399 529 2HB ALA 74 HB1 ALA 74 34.672 1.295 1.295 530 3HB ALA 74 HB3 ALA 74 33.735 -0.081 -0.081 531 H ALA 75 HN ALA 75 34.045 2.661 2.661 532 HA ALA 75 HA ALA 75 36.683 2.690 2.690 533 1HB ALA 75 HB1 ALA 75 34.268 4.466 4.466 534 2HB ALA 75 HB3 ALA 75 35.608 4.764 4.764 535 3HB ALA 75 HB2 ALA 75 35.878 4.836 4.836 536 H TYR 76 HN TYR 76 33.673 1.654 1.654 537 HA TYR 76 HA TYR 76 34.131 1.829 1.829 538 1HB TYR 76 HB2 TYR 76 31.899 1.372 1.372 539 2HB TYR 76 HB1 TYR 76 32.445 -0.035 -0.035 540 HD1 TYR 76 HD1 TYR 76 31.693 1.296 1.296 541 HD2 TYR 76 HD2 TYR 76 32.944 -2.125 -2.125 542 HE1 TYR 76 HE1 TYR 76 31.276 -0.049 -0.049 543 HE2 TYR 76 HE2 TYR 76 32.501 -3.539 -3.539 544 HH TYR 76 HH TYR 76 31.339 -3.530 -3.530 545 H VAL 77 HN VAL 77 34.736 -0.767 -0.767 546 HA VAL 77 HA VAL 77 35.853 -2.554 -2.554 547 HB VAL 77 HB VAL 77 36.217 -2.385 -2.385 548 1HG1 VAL 77 HG13 VAL 77 37.869 -3.728 -3.728 549 2HG1 VAL 77 HG12 VAL 77 36.693 -4.964 -4.964 550 3HG1 VAL 77 HG11 VAL 77 37.636 -4.153 -4.153 551 1HG2 VAL 77 HG23 VAL 77 34.109 -3.328 -3.328 552 2HG2 VAL 77 HG22 VAL 77 34.168 -3.316 -3.316 553 3HG2 VAL 77 HG21 VAL 77 34.805 -4.696 -4.696 554 H LEU 78 HN LEU 78 37.080 0.152 0.152 555 HA LEU 78 HA LEU 78 39.891 -0.486 -0.486 556 1HB LEU 78 HB2 LEU 78 39.007 2.267 2.267 557 2HB LEU 78 HB1 LEU 78 40.410 1.349 1.349 558 HG LEU 78 HG LEU 78 37.537 1.087 1.087 559 1HD1 LEU 78 HD11 LEU 78 40.022 2.132 2.132 560 2HD1 LEU 78 HD13 LEU 78 39.384 0.867 0.867 561 3HD1 LEU 78 HD12 LEU 78 38.390 2.269 2.269 562 1HD2 LEU 78 HD23 LEU 78 39.448 -1.052 -1.052 563 2HD2 LEU 78 HD22 LEU 78 37.778 -1.141 -1.141 564 3HD2 LEU 78 HD21 LEU 78 39.084 -0.854 -0.854 565 H ASP 79 HN ASP 79 37.321 0.808 0.808 566 HA ASP 79 HA ASP 79 39.019 2.511 2.511 567 1HB ASP 79 HB2 ASP 79 36.541 2.899 2.899 568 2HB ASP 79 HB1 ASP 79 36.144 2.071 2.071 569 H GLN 80 HN GLN 80 37.112 -0.401 -0.401 570 HA GLN 80 HA GLN 80 37.273 -0.889 -0.889 571 1HB GLN 80 HB2 GLN 80 36.660 -2.845 -2.845 572 2HB GLN 80 HB1 GLN 80 36.181 -2.965 -2.965 573 1HG GLN 80 HG2 GLN 80 35.357 -0.510 -0.510 574 2HG GLN 80 HG1 GLN 80 34.546 -2.018 -2.018 575 1HE2 GLN 80 HE22 GLN 80 33.062 -0.217 -0.217 576 2HE2 GLN 80 HE21 GLN 80 33.709 0.482 0.482 577 H ALA 81 HN ALA 81 39.019 -2.036 -2.036 578 HA ALA 81 HA ALA 81 40.562 -4.002 -4.002 579 1HB ALA 81 HB1 ALA 81 40.162 -3.942 -3.942 580 2HB ALA 81 HB3 ALA 81 41.380 -2.668 -2.668 581 3HB ALA 81 HB2 ALA 81 41.817 -4.277 -4.277 582 H ALA 82 HN ALA 82 40.755 -0.595 -0.595 583 HA ALA 82 HA ALA 82 43.600 -0.489 -0.489 584 1HB ALA 82 HB1 ALA 82 41.485 1.600 1.600 585 2HB ALA 82 HB3 ALA 82 43.101 2.024 2.024 586 3HB ALA 82 HB2 ALA 82 42.891 1.228 1.228 587 H LYS 83 HN LYS 83 41.145 -1.328 -1.328 588 HA LYS 83 HA LYS 83 42.561 -0.329 -0.329 589 1HB LYS 83 HB2 LYS 83 40.850 1.092 1.092 590 2HB LYS 83 HB1 LYS 83 41.202 1.651 1.651 591 1HG LYS 83 HG2 LYS 83 39.231 -0.244 -0.244 592 2HG LYS 83 HG1 LYS 83 38.726 0.511 0.511 593 1HD LYS 83 HD2 LYS 83 39.462 2.034 2.034 594 2HD LYS 83 HD1 LYS 83 37.811 1.678 1.678 595 1HE LYS 83 HE2 LYS 83 39.668 3.015 3.015 596 2HE LYS 83 HE1 LYS 83 38.934 3.979 3.979 597 1HZ LYS 83 HZ3 LYS 83 36.797 2.720 2.720 598 2HZ LYS 83 HZ2 LYS 83 37.674 2.622 2.622 599 3HZ LYS 83 HZ1 LYS 83 37.329 4.137 4.137 600 H GLY 84 HN GLY 84 41.719 -2.982 -2.982 601 1HA GLY 84 HA2 GLY 84 41.081 -4.837 -4.837 602 2HA GLY 84 HA1 GLY 84 40.422 -3.715 -3.715 603 H TRP 85 HN TRP 85 39.841 -5.066 -5.066 604 HA TRP 85 HA TRP 85 37.327 -4.252 -4.252 605 1HB TRP 85 HB2 TRP 85 38.774 -6.794 -6.794 606 2HB TRP 85 HB1 TRP 85 37.032 -7.009 -7.009 607 HD1 TRP 85 HD1 TRP 85 39.785 -6.244 -6.244 608 HE1 TRP 85 HE1 TRP 85 38.865 -5.292 -5.292 609 HE3 TRP 85 HE3 TRP 85 35.016 -5.249 -5.249 610 HZ2 TRP 85 HZ2 TRP 85 36.417 -4.259 -4.259 611 HZ3 TRP 85 HZ3 TRP 85 33.400 -4.275 -4.275 612 HH2 TRP 85 HH2 TRP 85 34.086 -3.753 -3.753 613 H ALA 86 HN ALA 86 36.114 -3.600 -3.600 614 HA ALA 86 HA ALA 86 35.515 -5.172 -5.172 615 1HB ALA 86 HB2 ALA 86 34.653 -2.659 -2.659 616 2HB ALA 86 HB1 ALA 86 33.260 -3.550 -3.550 617 3HB ALA 86 HB3 ALA 86 34.612 -3.188 -3.188 618 H GLY 87 HN GLY 87 33.742 -4.776 -4.776 619 1HA GLY 87 HA2 GLY 87 31.890 -5.977 -5.977 620 2HA GLY 87 HA1 GLY 87 32.852 -7.366 -7.366 621 HHA HEC 88 HA HEM 88 35.996 -10.617 -10.617 622 HHB HEC 88 HB HEM 88 33.818 -5.799 -5.799 623 HHC HEC 88 HC HEM 88 28.177 -8.769 -8.769 624 HHD HEC 88 HD HEM 88 30.828 -13.952 -13.952 625 1HMA HEC 88 HMA1 HEM 88 37.369 -6.149 -6.149 626 2HMA HEC 88 HMA2 HEM 88 35.913 -5.536 -5.536 627 3HMA HEC 88 HMA3 HEM 88 36.133 -5.199 -5.199 628 1HAA HEC 88 HAA1 HEM 88 37.315 -7.560 -7.560 629 2HAA HEC 88 HAA2 HEM 88 37.315 -9.333 -9.333 630 1HBA HEC 88 HBA1 HEM 88 39.233 -8.935 -8.935 631 2HBA HEC 88 HBA2 HEM 88 38.874 -7.156 -7.156 632 1HMB HEC 88 HMB1 HEM 88 32.626 -4.690 -4.690 633 2HMB HEC 88 HMB2 HEM 88 31.178 -4.828 -4.828 634 3HMB HEC 88 HMB3 HEM 88 31.034 -4.024 -4.024 635 HAB HEC 88 HAB HEM 88 27.934 -7.016 -7.016 636 1HBB HEC 88 HBB1 HEM 88 28.678 -5.337 -5.337 637 2HBB HEC 88 HBB2 HEM 88 27.182 -5.032 -5.032 638 3HBB HEC 88 HBB3 HEM 88 28.699 -4.132 -4.132 639 1HMC HEC 88 HMC1 HEM 88 26.449 -12.193 -12.193 640 2HMC HEC 88 HMC2 HEM 88 26.972 -10.885 -10.885 641 3HMC HEC 88 HMC3 HEM 88 26.419 -10.466 -10.466 642 HAC HEC 88 HAC HEM 88 27.439 -13.781 -13.781 643 1HBC HEC 88 HBC1 HEM 88 29.188 -15.552 -15.552 644 2HBC HEC 88 HBC2 HEM 88 27.584 -14.902 -14.902 645 3HBC HEC 88 HBC3 HEM 88 29.095 -14.001 -14.001 646 1HMD HEC 88 HMD1 HEM 88 32.026 -15.199 -15.199 647 2HMD HEC 88 HMD2 HEM 88 33.044 -15.027 -15.027 648 3HMD HEC 88 HMD3 HEM 88 33.799 -15.551 -15.551 649 1HAD HEC 88 HAD1 HEM 88 35.858 -14.191 -14.191 650 2HAD HEC 88 HAD2 HEM 88 36.421 -12.468 -12.468 651 1HBD HEC 88 HBD1 HEM 88 35.681 -14.029 -14.029 652 2HBD HEC 88 HBD2 HEM 88 34.158 -13.105 -13.105 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 32.107 8.694 8.694 2 2H ALA 1 HT3 ALA 1 33.115 9.905 9.905 3 3H ALA 1 HT2 ALA 1 32.722 9.900 9.900 4 HA ALA 1 HA ALA 1 30.590 10.645 10.645 5 1HB ALA 1 HB3 ALA 1 32.364 11.819 11.819 6 2HB ALA 1 HB2 ALA 1 30.783 12.480 12.480 7 3HB ALA 1 HB1 ALA 1 32.074 12.461 12.461 8 H ASP 2 HN ASP 2 31.934 9.158 9.158 9 HA ASP 2 HA ASP 2 29.134 8.786 8.786 10 1HB ASP 2 HB2 ASP 2 31.692 8.736 8.736 11 2HB ASP 2 HB1 ASP 2 30.040 8.651 8.651 12 H LEU 3 HN LEU 3 32.188 7.264 7.264 13 HA LEU 3 HA LEU 3 31.465 4.672 4.672 14 1HB LEU 3 HB2 LEU 3 33.530 5.263 5.263 15 2HB LEU 3 HB1 LEU 3 33.473 3.862 3.862 16 HG LEU 3 HG LEU 3 33.410 6.072 6.072 17 1HD1 LEU 3 HD11 LEU 3 34.294 7.120 7.120 18 2HD1 LEU 3 HD13 LEU 3 35.819 6.534 6.534 19 3HD1 LEU 3 HD12 LEU 3 34.845 7.686 7.686 20 1HD2 LEU 3 HD23 LEU 3 35.676 4.261 4.261 21 2HD2 LEU 3 HD22 LEU 3 34.562 3.988 3.988 22 3HD2 LEU 3 HD21 LEU 3 35.737 5.301 5.301 23 H ALA 4 HN ALA 4 30.587 6.391 6.391 24 HA ALA 4 HA ALA 4 30.213 4.206 4.206 25 1HB ALA 4 HB3 ALA 4 29.360 7.012 7.012 26 2HB ALA 4 HB2 ALA 4 28.117 5.972 5.972 27 3HB ALA 4 HB1 ALA 4 29.718 6.047 6.047 28 H ASN 5 HN ASN 5 28.616 5.428 5.428 29 HA ASN 5 HA ASN 5 26.182 3.843 3.843 30 1HB ASN 5 HB2 ASN 5 27.245 5.927 5.927 31 2HB ASN 5 HB1 ASN 5 26.541 4.625 4.625 32 1HD2 ASN 5 HD22 ASN 5 23.502 6.441 6.441 33 2HD2 ASN 5 HD21 ASN 5 24.746 6.167 6.167 34 H GLY 6 HN GLY 6 29.352 3.605 3.605 35 1HA GLY 6 HA2 GLY 6 28.952 1.482 1.482 36 2HA GLY 6 HA1 GLY 6 30.457 1.764 1.764 37 H ALA 7 HN ALA 7 29.726 1.372 1.372 38 HA ALA 7 HA ALA 7 29.697 -1.436 -1.436 39 1HB ALA 7 HB2 ALA 7 29.690 0.910 0.910 40 2HB ALA 7 HB1 ALA 7 28.597 -0.316 -0.316 41 3HB ALA 7 HB3 ALA 7 30.289 -0.715 -0.715 42 H LYS 8 HN LYS 8 27.064 0.868 0.868 43 HA LYS 8 HA LYS 8 25.014 -0.834 -0.834 44 1HB LYS 8 HB2 LYS 8 24.403 1.430 1.430 45 2HB LYS 8 HB1 LYS 8 25.046 1.612 1.612 46 1HG LYS 8 HG2 LYS 8 22.791 -0.318 -0.318 47 2HG LYS 8 HG1 LYS 8 22.414 1.402 1.402 48 1HD LYS 8 HD2 LYS 8 23.635 -0.175 -0.175 49 2HD LYS 8 HD1 LYS 8 22.123 0.723 0.723 50 1HE LYS 8 HE2 LYS 8 24.936 1.784 1.784 51 2HE LYS 8 HE1 LYS 8 23.621 2.139 2.139 52 1HZ LYS 8 HZ1 LYS 8 22.515 2.980 2.980 53 2HZ LYS 8 HZ3 LYS 8 24.136 3.210 3.210 54 3HZ LYS 8 HZ2 LYS 8 23.515 3.983 3.983 55 H VAL 9 HN VAL 9 26.608 -0.541 -0.541 56 HA VAL 9 HA VAL 9 24.676 -2.412 -2.412 57 HB VAL 9 HB VAL 9 26.892 -0.650 -0.650 58 1HG1 VAL 9 HG12 VAL 9 26.868 -2.880 -2.880 59 2HG1 VAL 9 HG11 VAL 9 25.176 -2.595 -2.595 60 3HG1 VAL 9 HG13 VAL 9 26.432 -1.533 -1.533 61 1HG2 VAL 9 HG23 VAL 9 23.927 -0.645 -0.645 62 2HG2 VAL 9 HG22 VAL 9 25.053 0.714 0.714 63 3HG2 VAL 9 HG21 VAL 9 24.625 -0.154 -0.154 64 H PHE 10 HN PHE 10 27.846 -2.364 -2.364 65 HA PHE 10 HA PHE 10 28.582 -4.877 -4.877 66 1HB PHE 10 HB2 PHE 10 30.355 -3.271 -3.271 67 2HB PHE 10 HB1 PHE 10 30.077 -3.020 -3.020 68 HD1 PHE 10 HD1 PHE 10 30.443 -4.873 -4.873 69 HD2 PHE 10 HD2 PHE 10 31.727 -5.112 -5.112 70 HE1 PHE 10 HE1 PHE 10 31.945 -6.726 -6.726 71 HE2 PHE 10 HE2 PHE 10 33.246 -6.985 -6.985 72 HZ PHE 10 HZ PHE 10 33.362 -7.783 -7.783 73 H SER 11 HN SER 11 27.315 -3.734 -3.734 74 HA SER 11 HA SER 11 27.917 -6.284 -6.284 75 1HB SER 11 HB2 SER 11 26.665 -3.716 -3.716 76 2HB SER 11 HB1 SER 11 27.016 -5.135 -5.135 77 HG SER 11 HG SER 11 29.239 -4.864 -4.864 78 H GLY 12 HN GLY 12 25.675 -5.358 -5.358 79 1HA GLY 12 HA2 GLY 12 23.616 -7.044 -7.044 80 2HA GLY 12 HA1 GLY 12 23.135 -5.481 -5.481 81 H ASN 13 HN ASN 13 25.612 -6.631 -6.631 82 HA ASN 13 HA ASN 13 23.932 -8.353 -8.353 83 1HB ASN 13 HB2 ASN 13 25.225 -5.960 -5.960 84 2HB ASN 13 HB1 ASN 13 23.876 -6.939 -6.939 85 1HD2 ASN 13 HD22 ASN 13 23.108 -4.108 -4.108 86 2HD2 ASN 13 HD21 ASN 13 24.653 -4.821 -4.821 87 H CYS 14 HN CYS 14 26.897 -6.385 -6.385 88 HA CYS 14 HA CYS 14 28.412 -8.313 -8.313 89 1HB CYS 14 HB2 CYS 14 29.608 -6.344 -6.344 90 2HB CYS 14 HB1 CYS 14 30.287 -6.916 -6.916 91 H ALA 15 HN ALA 15 27.897 -7.830 -7.830 92 HA ALA 15 HA ALA 15 29.925 -9.481 -9.481 93 1HB ALA 15 HB2 ALA 15 27.240 -8.588 -8.588 94 2HB ALA 15 HB1 ALA 15 27.921 -9.991 -9.991 95 3HB ALA 15 HB3 ALA 15 28.802 -8.463 -8.463 96 H ALA 16 HN ALA 16 26.785 -10.384 -10.384 97 HA ALA 16 HA ALA 16 26.710 -13.094 -13.094 98 1HB ALA 16 HB2 ALA 16 24.950 -11.767 -11.767 99 2HB ALA 16 HB1 ALA 16 25.895 -12.153 -12.153 100 3HB ALA 16 HB3 ALA 16 25.185 -13.449 -13.449 101 H CYS 17 HN CYS 17 28.327 -11.613 -11.613 102 HA CYS 17 HA CYS 17 29.776 -14.184 -14.184 103 1HB CYS 17 HB2 CYS 17 29.305 -11.868 -11.868 104 2HB CYS 17 HB1 CYS 17 30.318 -13.247 -13.247 105 H HIS 18 HN HIS 18 30.176 -11.638 -11.638 106 HA HIS 18 HA HIS 18 33.093 -11.649 -11.649 107 1HB HIS 18 HB2 HIS 18 31.516 -9.116 -9.116 108 2HB HIS 18 HB1 HIS 18 33.258 -9.210 -9.210 109 HD1 HIS 18 HD1 HIS 18 34.673 -10.301 -10.301 110 HD2 HIS 18 HD2 HIS 18 30.629 -10.144 -10.144 111 HE1 HIS 18 HE1 HIS 18 34.504 -10.849 -10.849 112 H MET 19 HN MET 19 31.218 -12.356 -12.356 113 HA MET 19 HA MET 19 30.845 -10.280 -10.280 114 1HB MET 19 HB2 MET 19 30.427 -13.093 -13.093 115 2HB MET 19 HB1 MET 19 31.230 -12.704 -12.704 116 1HG MET 19 HG2 MET 19 29.408 -10.707 -10.707 117 2HG MET 19 HG1 MET 19 28.521 -11.957 -11.957 118 1HE MET 19 HE3 MET 19 26.692 -12.493 -12.493 119 2HE MET 19 HE2 MET 19 27.482 -14.002 -14.002 120 3HE MET 19 HE1 MET 19 26.883 -13.788 -13.788 121 H GLY 20 HN GLY 20 32.172 -9.523 -9.523 122 1HA GLY 20 HA2 GLY 20 34.278 -8.940 -8.940 123 2HA GLY 20 HA1 GLY 20 34.424 -10.683 -10.683 124 H GLY 21 HN GLY 21 34.292 -8.767 -8.767 125 1HA GLY 21 HA2 GLY 21 35.632 -8.953 -8.953 126 2HA GLY 21 HA1 GLY 21 36.928 -8.628 -8.628 127 H GLY 22 HN GLY 22 34.881 -11.346 -11.346 128 1HA GLY 22 HA2 GLY 22 37.319 -13.013 -13.013 129 2HA GLY 22 HA1 GLY 22 36.050 -13.591 -13.591 130 H ASN 23 HN ASN 23 36.995 -13.173 -13.173 131 HA ASN 23 HA ASN 23 34.665 -13.430 -13.430 132 1HB ASN 23 HB2 ASN 23 37.284 -13.655 -13.655 133 2HB ASN 23 HB1 ASN 23 36.806 -15.350 -15.350 134 1HD2 ASN 23 HD22 ASN 23 35.224 -12.610 -12.610 135 2HD2 ASN 23 HD21 ASN 23 35.927 -12.068 -12.068 136 H VAL 24 HN VAL 24 33.149 -15.072 -15.072 137 HA VAL 24 HA VAL 24 33.417 -17.476 -17.476 138 HB VAL 24 HB VAL 24 31.026 -17.632 -17.632 139 1HG1 VAL 24 HG12 VAL 24 31.940 -14.747 -14.747 140 2HG1 VAL 24 HG11 VAL 24 30.356 -15.312 -15.312 141 3HG1 VAL 24 HG13 VAL 24 31.816 -15.912 -15.912 142 1HG2 VAL 24 HG22 VAL 24 31.173 -15.553 -15.553 143 2HG2 VAL 24 HG21 VAL 24 30.618 -17.221 -17.221 144 3HG2 VAL 24 HG23 VAL 24 29.675 -16.059 -16.059 145 H VAL 25 HN VAL 25 33.375 -16.478 -16.478 146 HA VAL 25 HA VAL 25 32.738 -19.235 -19.235 147 HB VAL 25 HB VAL 25 33.240 -16.739 -16.739 148 1HG1 VAL 25 HG11 VAL 25 32.340 -19.551 -19.551 149 2HG1 VAL 25 HG13 VAL 25 31.836 -18.223 -18.223 150 3HG1 VAL 25 HG12 VAL 25 33.550 -18.580 -18.580 151 1HG2 VAL 25 HG21 VAL 25 30.905 -17.679 -17.679 152 2HG2 VAL 25 HG23 VAL 25 31.222 -16.093 -16.093 153 3HG2 VAL 25 HG22 VAL 25 30.557 -17.386 -17.386 154 H MET 26 HN MET 26 35.112 -16.783 -16.783 155 HA MET 26 HA MET 26 37.012 -18.934 -18.934 156 1HB MET 26 HB2 MET 26 37.493 -15.946 -15.946 157 2HB MET 26 HB1 MET 26 38.357 -17.212 -17.212 158 1HG MET 26 HG2 MET 26 35.404 -16.606 -16.606 159 2HG MET 26 HG1 MET 26 36.670 -16.010 -16.010 160 1HE MET 26 HE2 MET 26 34.759 -16.894 -16.894 161 2HE MET 26 HE1 MET 26 35.463 -17.998 -17.998 162 3HE MET 26 HE3 MET 26 34.215 -18.569 -18.569 163 H ALA 27 HN ALA 27 39.071 -19.172 -19.172 164 HA ALA 27 HA ALA 27 39.174 -18.022 -18.022 165 1HB ALA 27 HB2 ALA 27 40.551 -20.473 -20.473 166 2HB ALA 27 HB1 ALA 27 40.656 -19.927 -19.927 167 3HB ALA 27 HB3 ALA 27 39.116 -20.489 -20.489 168 H ASN 28 HN ASN 28 40.049 -16.043 -16.043 169 HA ASN 28 HA ASN 28 42.836 -15.811 -15.811 170 1HB ASN 28 HB2 ASN 28 43.706 -15.755 -15.755 171 2HB ASN 28 HB1 ASN 28 42.850 -17.288 -17.288 172 1HD2 ASN 28 HD22 ASN 28 40.026 -16.152 -16.152 173 2HD2 ASN 28 HD21 ASN 28 40.327 -17.004 -17.004 174 H LYS 29 HN LYS 29 40.077 -14.686 -14.686 175 HA LYS 29 HA LYS 29 41.068 -11.904 -11.904 176 1HB LYS 29 HB2 LYS 29 39.275 -13.399 -13.399 177 2HB LYS 29 HB1 LYS 29 38.392 -12.041 -12.041 178 1HG LYS 29 HG2 LYS 29 39.348 -10.766 -10.766 179 2HG LYS 29 HG1 LYS 29 40.855 -10.944 -10.944 180 1HD LYS 29 HD2 LYS 29 41.661 -12.592 -12.592 181 2HD LYS 29 HD1 LYS 29 40.047 -13.147 -13.147 182 1HE LYS 29 HE2 LYS 29 39.709 -11.068 -11.068 183 2HE LYS 29 HE1 LYS 29 41.341 -10.551 -10.551 184 1HZ LYS 29 HZ1 LYS 29 41.321 -13.199 -13.199 185 2HZ LYS 29 HZ3 LYS 29 40.613 -12.115 -12.115 186 3HZ LYS 29 HZ2 LYS 29 42.193 -11.841 -11.841 187 H THR 30 HN THR 30 40.927 -11.433 -11.433 188 HA THR 30 HA THR 30 38.221 -11.680 -11.680 189 HB THR 30 HB THR 30 40.669 -10.641 -10.641 190 HG1 THR 30 HG1 THR 30 41.563 -12.441 -12.441 191 1HG2 THR 30 HG21 THR 30 38.036 -11.792 -11.792 192 2HG2 THR 30 HG23 THR 30 39.385 -12.372 -12.372 193 3HG2 THR 30 HG22 THR 30 39.035 -10.646 -10.646 194 H LEU 31 HN LEU 31 38.191 -9.526 -9.526 195 HA LEU 31 HA LEU 31 38.191 -7.225 -7.225 196 1HB LEU 31 HB2 LEU 31 36.755 -7.510 -7.510 197 2HB LEU 31 HB1 LEU 31 36.649 -6.124 -6.124 198 HG LEU 31 HG LEU 31 35.124 -8.568 -8.568 199 1HD1 LEU 31 HD11 LEU 31 34.681 -5.946 -5.946 200 2HD1 LEU 31 HD13 LEU 31 34.885 -6.439 -6.439 201 3HD1 LEU 31 HD12 LEU 31 33.634 -7.188 -7.188 202 1HD2 LEU 31 HD22 LEU 31 36.851 -7.954 -7.954 203 2HD2 LEU 31 HD21 LEU 31 36.584 -9.513 -9.513 204 3HD2 LEU 31 HD23 LEU 31 35.295 -8.759 -8.759 205 H LYS 32 HN LYS 32 39.970 -8.515 -8.515 206 HA LYS 32 HA LYS 32 40.574 -6.276 -6.276 207 1HB LYS 32 HB2 LYS 32 42.167 -8.689 -8.689 208 2HB LYS 32 HB1 LYS 32 42.951 -7.402 -7.402 209 1HG LYS 32 HG2 LYS 32 42.013 -8.156 -8.156 210 2HG LYS 32 HG1 LYS 32 40.405 -7.978 -7.978 211 1HD LYS 32 HD2 LYS 32 40.411 -10.263 -10.263 212 2HD LYS 32 HD1 LYS 32 41.113 -10.223 -10.223 213 1HE LYS 32 HE2 LYS 32 43.378 -9.952 -9.952 214 2HE LYS 32 HE1 LYS 32 42.447 -10.712 -10.712 215 1HZ LYS 32 HZ2 LYS 32 41.892 -12.514 -12.514 216 2HZ LYS 32 HZ1 LYS 32 42.832 -11.791 -11.791 217 3HZ LYS 32 HZ3 LYS 32 43.574 -12.369 -12.369 218 H LYS 33 HN LYS 33 43.147 -7.342 -7.342 219 HA LYS 33 HA LYS 33 43.085 -5.359 -5.359 220 1HB LYS 33 HB2 LYS 33 44.844 -3.760 -3.760 221 2HB LYS 33 HB1 LYS 33 43.112 -3.514 -3.514 222 1HG LYS 33 HG2 LYS 33 43.168 -4.190 -4.190 223 2HG LYS 33 HG1 LYS 33 44.398 -5.422 -5.422 224 1HD LYS 33 HD2 LYS 33 45.251 -2.586 -2.586 225 2HD LYS 33 HD1 LYS 33 44.930 -3.145 -3.145 226 1HE LYS 33 HE2 LYS 33 46.454 -5.068 -5.068 227 2HE LYS 33 HE1 LYS 33 46.806 -4.454 -4.454 228 1HZ LYS 33 HZ3 LYS 33 47.302 -2.287 -2.287 229 2HZ LYS 33 HZ2 LYS 33 47.658 -3.449 -3.449 230 3HZ LYS 33 HZ1 LYS 33 48.484 -3.466 -3.466 231 H GLU 34 HN GLU 34 45.257 -6.901 -6.901 232 HA GLU 34 HA GLU 34 47.670 -6.712 -6.712 233 1HB GLU 34 HB2 GLU 34 46.703 -9.091 -9.091 234 2HB GLU 34 HB1 GLU 34 48.382 -8.711 -8.711 235 1HG GLU 34 HG2 GLU 34 48.290 -6.677 -6.677 236 2HG GLU 34 HG1 GLU 34 46.548 -6.852 -6.852 237 H ALA 35 HN ALA 35 44.904 -8.746 -8.746 238 HA ALA 35 HA ALA 35 46.381 -10.170 -10.170 239 1HB ALA 35 HB2 ALA 35 45.170 -11.500 -11.500 240 2HB ALA 35 HB1 ALA 35 43.663 -10.810 -10.810 241 3HB ALA 35 HB3 ALA 35 44.647 -11.845 -11.845 242 H LEU 36 HN LEU 36 43.172 -8.883 -8.883 243 HA LEU 36 HA LEU 36 42.318 -8.821 -8.821 244 1HB LEU 36 HB2 LEU 36 40.683 -7.037 -7.037 245 2HB LEU 36 HB1 LEU 36 40.616 -8.670 -8.670 246 HG LEU 36 HG LEU 36 42.534 -6.837 -6.837 247 1HD1 LEU 36 HD12 LEU 36 39.547 -6.438 -6.438 248 2HD1 LEU 36 HD11 LEU 36 40.646 -5.853 -5.853 249 3HD1 LEU 36 HD13 LEU 36 40.781 -5.250 -5.250 250 1HD2 LEU 36 HD22 LEU 36 41.302 -9.292 -9.292 251 2HD2 LEU 36 HD21 LEU 36 42.298 -8.360 -8.360 252 3HD2 LEU 36 HD23 LEU 36 40.553 -8.163 -8.163 253 H GLU 37 HN GLU 37 43.811 -6.196 -6.196 254 HA GLU 37 HA GLU 37 43.533 -4.301 -4.301 255 1HB GLU 37 HB2 GLU 37 43.928 -3.563 -3.563 256 2HB GLU 37 HB1 GLU 37 45.521 -4.326 -4.326 257 1HG GLU 37 HG2 GLU 37 46.092 -2.881 -2.881 258 2HG GLU 37 HG1 GLU 37 44.570 -2.029 -2.029 259 H GLN 38 HN GLN 38 45.671 -6.898 -6.898 260 HA GLN 38 HA GLN 38 47.902 -5.962 -5.962 261 1HB GLN 38 HB2 GLN 38 48.232 -7.580 -7.580 262 2HB GLN 38 HB1 GLN 38 47.040 -8.663 -8.663 263 1HG GLN 38 HG2 GLN 38 49.276 -9.436 -9.436 264 2HG GLN 38 HG1 GLN 38 48.440 -8.850 -8.850 265 1HE2 GLN 38 HE22 GLN 38 50.461 -5.852 -5.852 266 2HE2 GLN 38 HE21 GLN 38 48.892 -6.432 -6.432 267 H PHE 39 HN PHE 39 46.266 -8.988 -8.988 268 HA PHE 39 HA PHE 39 46.328 -8.531 -8.531 269 1HB PHE 39 HB2 PHE 39 45.942 -10.880 -10.880 270 2HB PHE 39 HB1 PHE 39 47.102 -10.633 -10.633 271 HD1 PHE 39 HD1 PHE 39 44.549 -9.469 -9.469 272 HD2 PHE 39 HD2 PHE 39 45.584 -13.146 -13.146 273 HE1 PHE 39 HE1 PHE 39 43.091 -10.700 -10.700 274 HE2 PHE 39 HE2 PHE 39 44.117 -14.383 -14.383 275 HZ PHE 39 HZ PHE 39 42.869 -13.166 -13.166 276 H GLY 40 HN GLY 40 44.249 -7.722 -7.722 277 1HA GLY 40 HA2 GLY 40 41.818 -8.519 -8.519 278 2HA GLY 40 HA1 GLY 40 41.851 -8.051 -8.051 279 H MET 41 HN MET 41 43.728 -5.764 -5.764 280 HA MET 41 HA MET 41 43.323 -3.468 -3.468 281 1HB MET 41 HB2 MET 41 42.214 -4.864 -4.864 282 2HB MET 41 HB1 MET 41 41.626 -3.220 -3.220 283 1HG MET 41 HG2 MET 41 44.383 -3.111 -3.111 284 2HG MET 41 HG1 MET 41 44.235 -4.103 -4.103 285 1HE MET 41 HE3 MET 41 43.255 -3.771 -3.771 286 2HE MET 41 HE2 MET 41 42.112 -2.506 -2.506 287 3HE MET 41 HE1 MET 41 43.811 -2.336 -2.336 288 H TYR 42 HN TYR 42 42.192 -3.907 -3.907 289 HA TYR 42 HA TYR 42 39.274 -3.875 -3.875 290 1HB TYR 42 HB2 TYR 42 39.516 -4.389 -4.389 291 2HB TYR 42 HB1 TYR 42 41.069 -4.965 -4.965 292 HD1 TYR 42 HD1 TYR 42 42.556 -2.471 -2.471 293 HD2 TYR 42 HD2 TYR 42 39.900 -3.550 -3.550 294 HE1 TYR 42 HE1 TYR 42 43.715 -0.875 -0.875 295 HE2 TYR 42 HE2 TYR 42 41.059 -1.953 -1.953 296 HH TYR 42 HH TYR 42 43.639 0.162 0.162 297 H SER 43 HN SER 43 41.607 -1.529 -1.529 298 HA SER 43 HA SER 43 41.059 0.652 0.652 299 1HB SER 43 HB2 SER 43 42.203 0.237 0.237 300 2HB SER 43 HB1 SER 43 41.115 1.618 1.618 301 HG SER 43 HG SER 43 43.465 1.782 1.782 302 H GLU 44 HN GLU 44 39.667 2.591 2.591 303 HA GLU 44 HA GLU 44 36.946 2.045 2.045 304 1HB GLU 44 HB2 GLU 44 36.735 4.492 4.492 305 2HB GLU 44 HB1 GLU 44 37.455 4.217 4.217 306 1HG GLU 44 HG2 GLU 44 39.565 3.988 3.988 307 2HG GLU 44 HG1 GLU 44 38.641 5.406 5.406 308 H ASP 45 HN ASP 45 38.394 3.706 3.706 309 HA ASP 45 HA ASP 45 36.354 3.033 3.033 310 1HB ASP 45 HB2 ASP 45 38.293 4.661 4.661 311 2HB ASP 45 HB1 ASP 45 39.207 3.250 3.250 312 H ALA 46 HN ALA 46 38.761 1.004 1.004 313 HA ALA 46 HA ALA 46 38.708 -0.929 -0.929 314 1HB ALA 46 HB2 ALA 46 40.577 -0.395 -0.395 315 2HB ALA 46 HB1 ALA 46 39.715 -1.616 -1.616 316 3HB ALA 46 HB3 ALA 46 40.381 -2.020 -2.020 317 H ILE 47 HN ILE 47 38.056 -1.702 -1.702 318 HA ILE 47 HA ILE 47 36.305 -3.826 -3.826 319 HB ILE 47 HB ILE 47 37.310 -3.315 -3.315 320 1HG1 ILE 47 HG12 ILE 47 34.291 -3.508 -3.508 321 2HG1 ILE 47 HG11 ILE 47 35.432 -4.835 -4.835 322 1HG2 ILE 47 HG23 ILE 47 36.335 -0.780 -0.780 323 2HG2 ILE 47 HG22 ILE 47 35.192 -1.435 -1.435 324 3HG2 ILE 47 HG21 ILE 47 36.914 -1.388 -1.388 325 1HD1 ILE 47 HD13 ILE 47 34.984 -2.609 -2.609 326 2HD1 ILE 47 HD12 ILE 47 34.354 -4.240 -4.240 327 3HD1 ILE 47 HD11 ILE 47 36.093 -3.961 -3.961 328 H ILE 48 HN ILE 48 35.794 -0.435 -0.435 329 HA ILE 48 HA ILE 48 32.980 -0.284 -0.284 330 HB ILE 48 HB ILE 48 35.009 1.375 1.375 331 1HG1 ILE 48 HG12 ILE 48 32.959 2.156 2.156 332 2HG1 ILE 48 HG11 ILE 48 34.535 1.486 1.486 333 1HG2 ILE 48 HG22 ILE 48 32.137 1.263 1.263 334 2HG2 ILE 48 HG21 ILE 48 32.700 2.870 2.870 335 3HG2 ILE 48 HG23 ILE 48 33.433 2.040 2.040 336 1HD1 ILE 48 HD12 ILE 48 35.370 3.381 3.381 337 2HD1 ILE 48 HD11 ILE 48 33.854 4.135 4.135 338 3HD1 ILE 48 HD13 ILE 48 35.069 3.731 3.731 339 H TYR 49 HN TYR 49 34.918 -0.988 -0.988 340 HA TYR 49 HA TYR 49 32.517 -1.453 -1.453 341 1HB TYR 49 HB2 TYR 49 34.657 -0.622 -0.622 342 2HB TYR 49 HB1 TYR 49 35.420 -2.151 -2.151 343 HD1 TYR 49 HD1 TYR 49 34.336 -4.320 -4.320 344 HD2 TYR 49 HD2 TYR 49 33.430 -0.431 -0.431 345 HE1 TYR 49 HE1 TYR 49 33.433 -5.364 -5.364 346 HE2 TYR 49 HE2 TYR 49 32.523 -1.473 -1.473 347 HH TYR 49 HH TYR 49 31.464 -4.154 -4.154 348 H GLN 50 HN GLN 50 34.444 -3.204 -3.204 349 HA GLN 50 HA GLN 50 33.664 -5.816 -5.816 350 1HB GLN 50 HB2 GLN 50 35.734 -6.080 -6.080 351 2HB GLN 50 HB1 GLN 50 35.465 -4.812 -4.812 352 1HG GLN 50 HG2 GLN 50 35.466 -6.627 -6.627 353 2HG GLN 50 HG1 GLN 50 33.756 -6.612 -6.612 354 1HE2 GLN 50 HE22 GLN 50 36.021 -9.285 -9.285 355 2HE2 GLN 50 HE21 GLN 50 36.606 -7.711 -7.711 356 H VAL 51 HN VAL 51 32.250 -3.417 -3.417 357 HA VAL 51 HA VAL 51 30.463 -5.328 -5.328 358 HB VAL 51 HB VAL 51 30.799 -2.340 -2.340 359 1HG1 VAL 51 HG11 VAL 51 28.964 -4.353 -4.353 360 2HG1 VAL 51 HG13 VAL 51 29.824 -3.491 -3.491 361 3HG1 VAL 51 HG12 VAL 51 28.873 -2.595 -2.595 362 1HG2 VAL 51 HG21 VAL 51 32.629 -4.327 -4.327 363 2HG2 VAL 51 HG23 VAL 51 32.538 -2.730 -2.730 364 3HG2 VAL 51 HG22 VAL 51 31.722 -4.101 -4.101 365 H GLN 52 HN GLN 52 30.531 -2.629 -2.629 366 HA GLN 52 HA GLN 52 27.700 -2.201 -2.201 367 1HB GLN 52 HB2 GLN 52 30.050 -1.129 -1.129 368 2HB GLN 52 HB1 GLN 52 28.960 -1.577 -1.577 369 1HG GLN 52 HG2 GLN 52 27.423 0.005 0.005 370 2HG GLN 52 HG1 GLN 52 27.666 -0.218 -0.218 371 1HE2 GLN 52 HE22 GLN 52 30.611 2.018 2.018 372 2HE2 GLN 52 HE21 GLN 52 30.226 0.459 0.459 373 H HIS 53 HN HIS 53 29.676 -4.738 -4.738 374 HA HIS 53 HA HIS 53 27.517 -5.911 -5.911 375 1HB HIS 53 HB2 HIS 53 29.469 -6.117 -6.117 376 2HB HIS 53 HB1 HIS 53 27.982 -5.195 -5.195 377 HD1 HIS 53 HD1 HIS 53 29.171 -3.464 -3.464 378 HD2 HIS 53 HD2 HIS 53 30.702 -3.616 -3.616 379 HE1 HIS 53 HE1 HIS 53 30.551 -1.368 -1.368 380 H GLY 54 HN GLY 54 29.070 -6.541 -6.541 381 1HA GLY 54 HA2 GLY 54 30.409 -8.272 -8.272 382 2HA GLY 54 HA1 GLY 54 29.621 -9.234 -9.234 383 H LYS 55 HN LYS 55 31.151 -10.310 -10.310 384 HA LYS 55 HA LYS 55 32.867 -9.671 -9.671 385 1HB LYS 55 HB2 LYS 55 33.901 -8.564 -8.564 386 2HB LYS 55 HB1 LYS 55 35.033 -9.684 -9.684 387 1HG LYS 55 HG2 LYS 55 35.052 -7.130 -7.130 388 2HG LYS 55 HG1 LYS 55 35.326 -8.398 -8.398 389 1HD LYS 55 HD2 LYS 55 32.486 -7.874 -7.874 390 2HD LYS 55 HD1 LYS 55 33.354 -6.375 -6.375 391 1HE LYS 55 HE2 LYS 55 33.502 -8.926 -8.926 392 2HE LYS 55 HE1 LYS 55 32.796 -7.389 -7.389 393 1HZ LYS 55 HZ1 LYS 55 35.145 -6.488 -6.488 394 2HZ LYS 55 HZ3 LYS 55 35.626 -8.104 -8.104 395 3HZ LYS 55 HZ2 LYS 55 34.877 -7.284 -7.284 396 H ASN 56 HN ASN 56 33.664 -11.574 -11.574 397 HA ASN 56 HA ASN 56 34.229 -13.843 -13.843 398 1HB ASN 56 HB2 ASN 56 35.025 -13.118 -13.118 399 2HB ASN 56 HB1 ASN 56 35.251 -14.741 -14.741 400 1HD2 ASN 56 HD22 ASN 56 37.742 -11.731 -11.731 401 2HD2 ASN 56 HD21 ASN 56 36.448 -11.442 -11.442 402 H ALA 57 HN ALA 57 33.317 -13.951 -13.951 403 HA ALA 57 HA ALA 57 30.714 -15.195 -15.195 404 1HB ALA 57 HB2 ALA 57 32.833 -16.248 -16.248 405 2HB ALA 57 HB1 ALA 57 31.141 -16.702 -16.702 406 3HB ALA 57 HB3 ALA 57 31.984 -17.096 -17.096 407 H MET 58 HN MET 58 30.794 -12.570 -12.570 408 HA MET 58 HA MET 58 29.800 -12.534 -12.534 409 1HB MET 58 HB2 MET 58 31.950 -11.353 -11.353 410 2HB MET 58 HB1 MET 58 31.278 -10.339 -10.339 411 1HG MET 58 HG2 MET 58 29.589 -9.481 -9.481 412 2HG MET 58 HG1 MET 58 30.327 -10.476 -10.476 413 1HE MET 58 HE3 MET 58 30.086 -7.942 -7.942 414 2HE MET 58 HE2 MET 58 31.118 -6.601 -6.601 415 3HE MET 58 HE1 MET 58 29.837 -7.156 -7.156 416 HA PRO 59 HA PRO 59 26.020 -11.223 -11.223 417 1HB PRO 59 HB2 PRO 59 24.937 -10.046 -10.046 418 2HB PRO 59 HB1 PRO 59 24.954 -11.784 -11.784 419 1HG PRO 59 HG2 PRO 59 26.666 -10.163 -10.163 420 2HG PRO 59 HG1 PRO 59 26.157 -11.854 -11.854 421 1HD PRO 59 HD2 PRO 59 28.673 -11.019 -11.019 422 2HD PRO 59 HD1 PRO 59 27.989 -12.617 -12.617 423 H ALA 60 HN ALA 60 26.320 -9.646 -9.646 424 HA ALA 60 HA ALA 60 27.316 -7.038 -7.038 425 1HB ALA 60 HB1 ALA 60 25.631 -8.471 -8.471 426 2HB ALA 60 HB3 ALA 60 25.754 -6.716 -6.716 427 3HB ALA 60 HB2 ALA 60 27.208 -7.710 -7.710 428 H PHE 61 HN PHE 61 26.405 -5.407 -5.407 429 HA PHE 61 HA PHE 61 23.560 -5.498 -5.498 430 1HB PHE 61 HB2 PHE 61 25.796 -3.631 -3.631 431 2HB PHE 61 HB1 PHE 61 24.129 -3.449 -3.449 432 HD1 PHE 61 HD1 PHE 61 26.756 -6.112 -6.112 433 HD2 PHE 61 HD2 PHE 61 23.525 -4.489 -4.489 434 HE1 PHE 61 HE1 PHE 61 27.151 -7.824 -7.824 435 HE2 PHE 61 HE2 PHE 61 23.923 -6.206 -6.206 436 HZ PHE 61 HZ PHE 61 25.746 -7.867 -7.867 437 H ALA 62 HN ALA 62 25.874 -3.294 -3.294 438 HA ALA 62 HA ALA 62 25.469 -1.422 -1.422 439 1HB ALA 62 HB2 ALA 62 24.609 -3.878 -3.878 440 2HB ALA 62 HB1 ALA 62 23.466 -2.627 -2.627 441 3HB ALA 62 HB3 ALA 62 25.185 -2.429 -2.429 442 H GLY 63 HN GLY 63 23.624 -1.710 -1.710 443 1HA GLY 63 HA2 GLY 63 22.083 0.314 0.314 444 2HA GLY 63 HA1 GLY 63 21.247 -0.303 -0.303 445 H ARG 64 HN ARG 64 22.630 -2.344 -2.344 446 HA ARG 64 HA ARG 64 19.895 -3.347 -3.347 447 1HB ARG 64 HB2 ARG 64 21.357 -5.118 -5.118 448 2HB ARG 64 HB1 ARG 64 22.673 -4.501 -4.501 449 1HG ARG 64 HG2 ARG 64 21.271 -4.951 -4.951 450 2HG ARG 64 HG1 ARG 64 20.083 -5.725 -5.725 451 1HD ARG 64 HD2 ARG 64 22.800 -6.636 -6.636 452 2HD ARG 64 HD1 ARG 64 22.308 -6.963 -6.963 453 HE ARG 64 HE ARG 64 20.770 -7.910 -7.910 454 1HH1 ARG 64 HH21 ARG 64 19.084 -8.101 -8.101 455 2HH1 ARG 64 HH22 ARG 64 19.503 -9.620 -9.620 456 1HH2 ARG 64 HH11 ARG 64 22.507 -9.900 -9.900 457 2HH2 ARG 64 HH12 ARG 64 21.440 -10.639 -10.639 458 H LEU 65 HN LEU 65 22.994 -2.415 -2.415 459 HA LEU 65 HA LEU 65 22.061 -2.212 -2.212 460 1HB LEU 65 HB2 LEU 65 24.269 -0.647 -0.647 461 2HB LEU 65 HB1 LEU 65 24.074 -0.880 -0.880 462 HG LEU 65 HG LEU 65 24.715 -2.986 -2.986 463 1HD1 LEU 65 HD13 LEU 65 26.266 -1.357 -1.357 464 2HD1 LEU 65 HD12 LEU 65 26.356 -3.020 -3.020 465 3HD1 LEU 65 HD11 LEU 65 26.829 -2.637 -2.637 466 1HD2 LEU 65 HD23 LEU 65 23.628 -3.199 -3.199 467 2HD2 LEU 65 HD22 LEU 65 23.274 -4.192 -4.192 468 3HD2 LEU 65 HD21 LEU 65 24.798 -4.400 -4.400 469 H THR 66 HN THR 66 23.005 0.628 0.628 470 HA THR 66 HA THR 66 20.390 1.847 1.847 471 HB THR 66 HB THR 66 22.562 2.652 2.652 472 HG1 THR 66 HG1 THR 66 20.872 1.210 1.210 473 1HG2 THR 66 HG21 THR 66 20.751 4.373 4.373 474 2HG2 THR 66 HG23 THR 66 20.523 4.515 4.515 475 3HG2 THR 66 HG22 THR 66 22.112 4.805 4.805 476 H ASP 67 HN ASP 67 23.840 2.697 2.697 477 HA ASP 67 HA ASP 67 24.380 3.320 3.320 478 1HB ASP 67 HB2 ASP 67 22.332 5.213 5.213 479 2HB ASP 67 HB1 ASP 67 23.715 5.967 5.967 480 H GLU 68 HN GLU 68 24.028 5.418 5.418 481 HA GLU 68 HA GLU 68 26.710 6.474 6.474 482 1HB GLU 68 HB2 GLU 68 24.649 6.236 6.236 483 2HB GLU 68 HB1 GLU 68 26.150 7.167 7.167 484 1HG GLU 68 HG2 GLU 68 23.886 7.633 7.633 485 2HG GLU 68 HG1 GLU 68 24.371 8.689 8.689 486 H GLN 69 HN GLN 69 25.640 3.402 3.402 487 HA GLN 69 HA GLN 69 27.805 2.758 2.758 488 1HB GLN 69 HB2 GLN 69 25.966 0.608 0.608 489 2HB GLN 69 HB1 GLN 69 26.407 1.411 1.411 490 1HG GLN 69 HG2 GLN 69 24.344 2.387 2.387 491 2HG GLN 69 HG1 GLN 69 23.989 1.638 1.638 492 1HE2 GLN 69 HE22 GLN 69 25.974 4.859 4.859 493 2HE2 GLN 69 HE21 GLN 69 26.686 3.365 3.365 494 H ILE 70 HN ILE 70 26.388 2.119 2.119 495 HA ILE 70 HA ILE 70 28.034 -0.151 -0.151 496 HB ILE 70 HB ILE 70 27.148 2.167 2.167 497 1HG1 ILE 70 HG12 ILE 70 25.279 0.879 0.879 498 2HG1 ILE 70 HG11 ILE 70 25.340 0.679 0.679 499 1HG2 ILE 70 HG21 ILE 70 29.063 0.252 0.252 500 2HG2 ILE 70 HG23 ILE 70 27.603 -0.469 -0.469 501 3HG2 ILE 70 HG22 ILE 70 28.134 1.123 1.123 502 1HD1 ILE 70 HD13 ILE 70 26.623 -1.247 -1.247 503 2HD1 ILE 70 HD12 ILE 70 25.013 -1.476 -1.476 504 3HD1 ILE 70 HD11 ILE 70 26.425 -1.468 -1.468 505 H GLN 71 HN GLN 71 28.520 3.145 3.145 506 HA GLN 71 HA GLN 71 31.253 3.295 3.295 507 1HB GLN 71 HB2 GLN 71 29.112 5.144 5.144 508 2HB GLN 71 HB1 GLN 71 30.782 5.689 5.689 509 1HG GLN 71 HG2 GLN 71 30.424 4.495 4.495 510 2HG GLN 71 HG1 GLN 71 28.996 5.495 5.495 511 1HE2 GLN 71 HE22 GLN 71 31.424 8.339 8.339 512 2HE2 GLN 71 HE21 GLN 71 30.399 7.441 7.441 513 H ASP 72 HN ASP 72 29.532 4.321 4.321 514 HA ASP 72 HA ASP 72 31.647 4.576 4.576 515 1HB ASP 72 HB2 ASP 72 28.742 3.908 3.908 516 2HB ASP 72 HB1 ASP 72 29.806 3.916 3.916 517 H VAL 73 HN VAL 73 29.622 1.690 1.690 518 HA VAL 73 HA VAL 73 30.816 -0.009 -0.009 519 HB VAL 73 HB VAL 73 28.769 -0.387 -0.387 520 1HG1 VAL 73 HG13 VAL 73 30.452 -0.264 -0.264 521 2HG1 VAL 73 HG12 VAL 73 30.755 -1.954 -1.954 522 3HG1 VAL 73 HG11 VAL 73 29.129 -1.428 -1.428 523 1HG2 VAL 73 HG23 VAL 73 29.751 -1.946 -1.946 524 2HG2 VAL 73 HG22 VAL 73 28.865 -2.726 -2.726 525 3HG2 VAL 73 HG21 VAL 73 30.629 -2.720 -2.720 526 H ALA 74 HN ALA 74 32.018 1.046 1.046 527 HA ALA 74 HA ALA 74 34.159 -0.978 -0.978 528 1HB ALA 74 HB3 ALA 74 33.617 1.521 1.521 529 2HB ALA 74 HB2 ALA 74 35.032 0.496 0.496 530 3HB ALA 74 HB1 ALA 74 33.416 -0.157 -0.157 531 H ALA 75 HN ALA 75 34.260 2.615 2.615 532 HA ALA 75 HA ALA 75 36.864 2.843 2.843 533 1HB ALA 75 HB1 ALA 75 34.340 4.489 4.489 534 2HB ALA 75 HB3 ALA 75 35.799 4.946 4.946 535 3HB ALA 75 HB2 ALA 75 35.827 4.880 4.880 536 H TYR 76 HN TYR 76 33.930 1.755 1.755 537 HA TYR 76 HA TYR 76 34.360 2.030 2.030 538 1HB TYR 76 HB2 TYR 76 32.159 1.537 1.537 539 2HB TYR 76 HB1 TYR 76 32.731 0.147 0.147 540 HD1 TYR 76 HD1 TYR 76 32.028 1.428 1.428 541 HD2 TYR 76 HD2 TYR 76 33.064 -1.986 -1.986 542 HE1 TYR 76 HE1 TYR 76 31.529 0.059 0.059 543 HE2 TYR 76 HE2 TYR 76 32.558 -3.418 -3.418 544 HH TYR 76 HH TYR 76 32.423 -3.199 -3.199 545 H VAL 77 HN VAL 77 34.962 -0.692 -0.692 546 HA VAL 77 HA VAL 77 36.073 -2.383 -2.383 547 HB VAL 77 HB VAL 77 35.419 -3.450 -3.450 548 1HG1 VAL 77 HG11 VAL 77 36.940 -1.253 -1.253 549 2HG1 VAL 77 HG13 VAL 77 36.501 -2.714 -2.714 550 3HG1 VAL 77 HG12 VAL 77 35.239 -1.693 -1.693 551 1HG2 VAL 77 HG22 VAL 77 37.971 -3.819 -3.819 552 2HG2 VAL 77 HG21 VAL 77 37.281 -4.737 -4.737 553 3HG2 VAL 77 HG23 VAL 77 38.283 -3.324 -3.324 554 H LEU 78 HN LEU 78 37.319 0.262 0.262 555 HA LEU 78 HA LEU 78 40.131 -0.369 -0.369 556 1HB LEU 78 HB2 LEU 78 39.220 2.419 2.419 557 2HB LEU 78 HB1 LEU 78 40.637 1.551 1.551 558 HG LEU 78 HG LEU 78 37.760 1.225 1.225 559 1HD1 LEU 78 HD11 LEU 78 39.296 2.998 2.998 560 2HD1 LEU 78 HD13 LEU 78 40.284 1.673 1.673 561 3HD1 LEU 78 HD12 LEU 78 38.616 1.851 1.851 562 1HD2 LEU 78 HD22 LEU 78 39.164 -0.976 -0.976 563 2HD2 LEU 78 HD21 LEU 78 38.276 -0.764 -0.764 564 3HD2 LEU 78 HD23 LEU 78 40.011 -0.460 -0.460 565 H ASP 79 HN ASP 79 37.600 0.839 0.839 566 HA ASP 79 HA ASP 79 39.300 2.437 2.437 567 1HB ASP 79 HB2 ASP 79 36.781 2.825 2.825 568 2HB ASP 79 HB1 ASP 79 36.442 1.978 1.978 569 H GLN 80 HN GLN 80 37.122 -0.326 -0.326 570 HA GLN 80 HA GLN 80 37.370 -1.041 -1.041 571 1HB GLN 80 HB2 GLN 80 36.796 -2.875 -2.875 572 2HB GLN 80 HB1 GLN 80 36.315 -3.101 -3.101 573 1HG GLN 80 HG2 GLN 80 35.461 -0.563 -0.563 574 2HG GLN 80 HG1 GLN 80 34.678 -2.041 -2.041 575 1HE2 GLN 80 HE22 GLN 80 33.333 -0.492 -0.492 576 2HE2 GLN 80 HE21 GLN 80 34.122 0.366 0.366 577 H ALA 81 HN ALA 81 39.054 -2.214 -2.214 578 HA ALA 81 HA ALA 81 40.647 -4.143 -4.143 579 1HB ALA 81 HB2 ALA 81 40.179 -3.750 -3.750 580 2HB ALA 81 HB1 ALA 81 41.729 -2.919 -2.919 581 3HB ALA 81 HB3 ALA 81 41.599 -4.618 -4.618 582 H ALA 82 HN ALA 82 40.737 -0.765 -0.765 583 HA ALA 82 HA ALA 82 43.608 -0.565 -0.565 584 1HB ALA 82 HB2 ALA 82 41.600 1.165 1.165 585 2HB ALA 82 HB1 ALA 82 42.186 1.873 1.873 586 3HB ALA 82 HB3 ALA 82 43.315 1.526 1.526 587 H LYS 83 HN LYS 83 41.258 -1.601 -1.601 588 HA LYS 83 HA LYS 83 42.823 -0.967 -0.967 589 1HB LYS 83 HB2 LYS 83 41.299 0.587 0.587 590 2HB LYS 83 HB1 LYS 83 41.889 1.274 1.274 591 1HG LYS 83 HG2 LYS 83 39.690 0.021 0.021 592 2HG LYS 83 HG1 LYS 83 39.157 0.338 0.338 593 1HD LYS 83 HD2 LYS 83 40.277 2.427 2.427 594 2HD LYS 83 HD1 LYS 83 38.564 2.197 2.197 595 1HE LYS 83 HE2 LYS 83 38.962 2.687 2.687 596 2HE LYS 83 HE1 LYS 83 40.690 2.853 2.853 597 1HZ LYS 83 HZ3 LYS 83 40.153 4.664 4.664 598 2HZ LYS 83 HZ2 LYS 83 38.519 4.548 4.548 599 3HZ LYS 83 HZ1 LYS 83 39.689 5.011 5.011 600 H GLY 84 HN GLY 84 41.688 -3.418 -3.418 601 1HA GLY 84 HA2 GLY 84 40.755 -5.166 -5.166 602 2HA GLY 84 HA1 GLY 84 40.071 -3.946 -3.946 603 H TRP 85 HN TRP 85 39.750 -5.332 -5.332 604 HA TRP 85 HA TRP 85 37.435 -4.293 -4.293 605 1HB TRP 85 HB2 TRP 85 38.805 -6.815 -6.815 606 2HB TRP 85 HB1 TRP 85 37.068 -7.091 -7.091 607 HD1 TRP 85 HD1 TRP 85 39.807 -6.283 -6.283 608 HE1 TRP 85 HE1 TRP 85 38.905 -5.292 -5.292 609 HE3 TRP 85 HE3 TRP 85 35.037 -5.265 -5.265 610 HZ2 TRP 85 HZ2 TRP 85 36.470 -4.207 -4.207 611 HZ3 TRP 85 HZ3 TRP 85 33.450 -4.250 -4.250 612 HH2 TRP 85 HH2 TRP 85 34.148 -3.697 -3.697 613 H ALA 86 HN ALA 86 36.134 -3.595 -3.595 614 HA ALA 86 HA ALA 86 34.440 -3.847 -3.847 615 1HB ALA 86 HB1 ALA 86 33.287 -4.417 -4.417 616 2HB ALA 86 HB3 ALA 86 33.632 -6.117 -6.117 617 3HB ALA 86 HB2 ALA 86 32.579 -5.213 -5.213 618 H GLY 87 HN GLY 87 36.941 -5.515 -5.515 619 1HA GLY 87 HA2 GLY 87 36.415 -8.100 -8.100 620 2HA GLY 87 HA1 GLY 87 37.730 -7.088 -7.088 621 HHA HEC 88 HA HEM 88 36.081 -10.867 -10.867 622 HHB HEC 88 HB HEM 88 33.777 -5.925 -5.925 623 HHC HEC 88 HC HEM 88 28.087 -8.719 -8.719 624 HHD HEC 88 HD HEM 88 30.558 -13.858 -13.858 625 1HMA HEC 88 HMA1 HEM 88 36.784 -5.677 -5.677 626 2HMA HEC 88 HMA2 HEM 88 37.308 -6.771 -6.771 627 3HMA HEC 88 HMA3 HEM 88 35.802 -5.794 -5.794 628 1HAA HEC 88 HAA1 HEM 88 37.726 -9.747 -9.747 629 2HAA HEC 88 HAA2 HEM 88 38.196 -8.199 -8.199 630 1HBA HEC 88 HBA1 HEM 88 37.135 -8.607 -8.607 631 2HBA HEC 88 HBA2 HEM 88 37.232 -6.982 -6.982 632 1HMB HEC 88 HMB1 HEM 88 32.534 -4.606 -4.606 633 2HMB HEC 88 HMB2 HEM 88 31.604 -5.090 -5.090 634 3HMB HEC 88 HMB3 HEM 88 30.793 -4.146 -4.146 635 HAB HEC 88 HAB HEM 88 28.644 -5.203 -5.203 636 1HBB HEC 88 HBB1 HEM 88 27.360 -7.190 -7.190 637 2HBB HEC 88 HBB2 HEM 88 26.470 -6.060 -6.060 638 3HBB HEC 88 HBB3 HEM 88 27.203 -7.555 -7.555 639 1HMC HEC 88 HMC1 HEM 88 26.521 -9.868 -9.868 640 2HMC HEC 88 HMC2 HEM 88 26.063 -11.551 -11.551 641 3HMC HEC 88 HMC3 HEM 88 26.705 -11.233 -11.233 642 HAC HEC 88 HAC HEM 88 29.031 -14.360 -14.360 643 1HBC HEC 88 HBC1 HEM 88 26.629 -15.048 -15.048 644 2HBC HEC 88 HBC2 HEM 88 27.167 -13.969 -13.969 645 3HBC HEC 88 HBC3 HEM 88 26.150 -13.308 -13.308 646 1HMD HEC 88 HMD1 HEM 88 32.749 -14.904 -14.904 647 2HMD HEC 88 HMD2 HEM 88 33.533 -15.583 -15.583 648 3HMD HEC 88 HMD3 HEM 88 31.774 -15.166 -15.166 649 1HAD HEC 88 HAD1 HEM 88 35.483 -14.434 -14.434 650 2HAD HEC 88 HAD2 HEM 88 36.392 -12.972 -12.972 651 1HBD HEC 88 HBD1 HEM 88 35.586 -13.666 -13.666 652 2HBD HEC 88 HBD2 HEM 88 34.596 -12.235 -12.235 Start of MODEL 15 1 1H ALA 1 HT2 ALA 1 28.355 12.998 12.998 2 2H ALA 1 HT1 ALA 1 26.890 12.707 12.707 3 3H ALA 1 HT3 ALA 1 27.323 11.757 11.757 4 HA ALA 1 HA ALA 1 27.692 10.522 10.522 5 1HB ALA 1 HB3 ALA 1 28.255 12.926 12.926 6 2HB ALA 1 HB2 ALA 1 29.893 12.339 12.339 7 3HB ALA 1 HB1 ALA 1 28.781 11.398 11.398 8 H ASP 2 HN ASP 2 28.437 9.371 9.371 9 HA ASP 2 HA ASP 2 31.413 9.519 9.519 10 1HB ASP 2 HB2 ASP 2 29.857 10.258 10.258 11 2HB ASP 2 HB1 ASP 2 29.574 8.521 8.521 12 H LEU 3 HN LEU 3 32.489 7.484 7.484 13 HA LEU 3 HA LEU 3 31.065 5.276 5.276 14 1HB LEU 3 HB2 LEU 3 33.103 4.062 4.062 15 2HB LEU 3 HB1 LEU 3 33.597 5.746 5.746 16 HG LEU 3 HG LEU 3 33.620 5.760 5.760 17 1HD1 LEU 3 HD12 LEU 3 33.073 3.033 3.033 18 2HD1 LEU 3 HD11 LEU 3 34.647 3.114 3.114 19 3HD1 LEU 3 HD13 LEU 3 33.208 3.746 3.746 20 1HD2 LEU 3 HD23 LEU 3 35.740 4.403 4.403 21 2HD2 LEU 3 HD22 LEU 3 35.596 6.137 6.137 22 3HD2 LEU 3 HD21 LEU 3 36.005 5.056 5.056 23 H ALA 4 HN ALA 4 30.855 6.470 6.470 24 HA ALA 4 HA ALA 4 30.946 4.137 4.137 25 1HB ALA 4 HB2 ALA 4 29.525 6.799 6.799 26 2HB ALA 4 HB1 ALA 4 29.198 5.539 5.539 27 3HB ALA 4 HB3 ALA 4 30.829 6.193 6.193 28 H ASN 5 HN ASN 5 28.479 5.774 5.774 29 HA ASN 5 HA ASN 5 26.210 4.225 4.225 30 1HB ASN 5 HB2 ASN 5 27.070 6.105 6.105 31 2HB ASN 5 HB1 ASN 5 26.610 4.695 4.695 32 1HD2 ASN 5 HD22 ASN 5 23.503 6.698 6.698 33 2HD2 ASN 5 HD21 ASN 5 24.988 6.949 6.949 34 H GLY 6 HN GLY 6 29.147 3.492 3.492 35 1HA GLY 6 HA2 GLY 6 28.395 1.186 1.186 36 2HA GLY 6 HA1 GLY 6 30.012 1.475 1.475 37 H ALA 7 HN ALA 7 29.843 1.304 1.304 38 HA ALA 7 HA ALA 7 29.653 -1.374 -1.374 39 1HB ALA 7 HB3 ALA 7 30.025 1.039 1.039 40 2HB ALA 7 HB2 ALA 7 28.712 0.194 0.194 41 3HB ALA 7 HB1 ALA 7 30.271 -0.604 -0.604 42 H LYS 8 HN LYS 8 27.023 0.914 0.914 43 HA LYS 8 HA LYS 8 25.058 -0.680 -0.680 44 1HB LYS 8 HB2 LYS 8 24.256 1.474 1.474 45 2HB LYS 8 HB1 LYS 8 24.990 1.640 1.640 46 1HG LYS 8 HG2 LYS 8 22.856 -0.411 -0.411 47 2HG LYS 8 HG1 LYS 8 22.318 1.253 1.253 48 1HD LYS 8 HD2 LYS 8 23.794 0.081 0.081 49 2HD LYS 8 HD1 LYS 8 22.168 0.759 0.759 50 1HE LYS 8 HE2 LYS 8 23.843 2.771 2.771 51 2HE LYS 8 HE1 LYS 8 24.692 2.106 2.106 52 1HZ LYS 8 HZ2 LYS 8 22.475 2.298 2.298 53 2HZ LYS 8 HZ1 LYS 8 21.984 3.289 3.289 54 3HZ LYS 8 HZ3 LYS 8 23.297 3.752 3.752 55 H VAL 9 HN VAL 9 26.007 -0.331 -0.331 56 HA VAL 9 HA VAL 9 24.212 -2.377 -2.377 57 HB VAL 9 HB VAL 9 26.572 -0.890 -0.890 58 1HG1 VAL 9 HG12 VAL 9 26.414 -3.294 -3.294 59 2HG1 VAL 9 HG11 VAL 9 24.853 -2.827 -2.827 60 3HG1 VAL 9 HG13 VAL 9 26.322 -2.007 -2.007 61 1HG2 VAL 9 HG21 VAL 9 23.610 -0.765 -0.765 62 2HG2 VAL 9 HG23 VAL 9 24.794 0.539 0.539 63 3HG2 VAL 9 HG22 VAL 9 24.440 -0.434 -0.434 64 H PHE 10 HN PHE 10 27.782 -2.331 -2.331 65 HA PHE 10 HA PHE 10 28.125 -5.068 -5.068 66 1HB PHE 10 HB2 PHE 10 30.006 -3.476 -3.476 67 2HB PHE 10 HB1 PHE 10 29.778 -3.305 -3.305 68 HD1 PHE 10 HD1 PHE 10 29.759 -5.516 -5.516 69 HD2 PHE 10 HD2 PHE 10 31.528 -5.127 -5.127 70 HE1 PHE 10 HE1 PHE 10 31.104 -7.510 -7.510 71 HE2 PHE 10 HE2 PHE 10 32.894 -7.143 -7.143 72 HZ PHE 10 HZ PHE 10 32.690 -8.346 -8.346 73 H SER 11 HN SER 11 27.106 -3.512 -3.512 74 HA SER 11 HA SER 11 27.403 -5.948 -5.948 75 1HB SER 11 HB2 SER 11 27.681 -3.730 -3.730 76 2HB SER 11 HB1 SER 11 26.014 -3.326 -3.326 77 HG SER 11 HG SER 11 26.675 -4.347 -4.347 78 H GLY 12 HN GLY 12 25.470 -5.532 -5.532 79 1HA GLY 12 HA2 GLY 12 23.372 -7.188 -7.188 80 2HA GLY 12 HA1 GLY 12 22.812 -5.585 -5.585 81 H ASN 13 HN ASN 13 25.388 -6.709 -6.709 82 HA ASN 13 HA ASN 13 23.687 -8.147 -8.147 83 1HB ASN 13 HB2 ASN 13 25.020 -5.631 -5.631 84 2HB ASN 13 HB1 ASN 13 23.751 -6.582 -6.582 85 1HD2 ASN 13 HD22 ASN 13 22.738 -3.545 -3.545 86 2HD2 ASN 13 HD21 ASN 13 24.315 -3.810 -3.810 87 H CYS 14 HN CYS 14 26.723 -6.304 -6.304 88 HA CYS 14 HA CYS 14 28.184 -8.141 -8.141 89 1HB CYS 14 HB2 CYS 14 29.410 -6.253 -6.253 90 2HB CYS 14 HB1 CYS 14 30.047 -6.745 -6.745 91 H ALA 15 HN ALA 15 27.497 -7.896 -7.896 92 HA ALA 15 HA ALA 15 29.591 -9.427 -9.427 93 1HB ALA 15 HB3 ALA 15 27.014 -8.461 -8.461 94 2HB ALA 15 HB2 ALA 15 27.217 -10.127 -10.127 95 3HB ALA 15 HB1 ALA 15 28.399 -8.900 -8.900 96 H ALA 16 HN ALA 16 26.561 -10.496 -10.496 97 HA ALA 16 HA ALA 16 26.749 -13.248 -13.248 98 1HB ALA 16 HB1 ALA 16 24.992 -11.667 -11.667 99 2HB ALA 16 HB3 ALA 16 25.650 -12.749 -12.749 100 3HB ALA 16 HB2 ALA 16 24.866 -13.415 -13.415 101 H CYS 17 HN CYS 17 28.589 -11.406 -11.406 102 HA CYS 17 HA CYS 17 29.742 -13.967 -13.967 103 1HB CYS 17 HB2 CYS 17 29.333 -11.409 -11.409 104 2HB CYS 17 HB1 CYS 17 30.234 -12.778 -12.778 105 H HIS 18 HN HIS 18 30.436 -11.591 -11.591 106 HA HIS 18 HA HIS 18 33.327 -11.857 -11.857 107 1HB HIS 18 HB2 HIS 18 31.932 -9.155 -9.155 108 2HB HIS 18 HB1 HIS 18 33.668 -9.402 -9.402 109 HD1 HIS 18 HD1 HIS 18 34.899 -9.995 -9.995 110 HD2 HIS 18 HD2 HIS 18 30.794 -9.731 -9.731 111 HE1 HIS 18 HE1 HIS 18 34.540 -10.099 -10.099 112 H MET 19 HN MET 19 31.203 -9.812 -9.812 113 HA MET 19 HA MET 19 31.108 -9.514 -9.514 114 1HB MET 19 HB2 MET 19 30.951 -12.229 -12.229 115 2HB MET 19 HB1 MET 19 32.181 -12.091 -12.091 116 1HG MET 19 HG2 MET 19 30.708 -11.039 -11.039 117 2HG MET 19 HG1 MET 19 29.569 -10.608 -10.608 118 1HE MET 19 HE3 MET 19 27.698 -11.190 -11.190 119 2HE MET 19 HE2 MET 19 26.978 -12.796 -12.796 120 3HE MET 19 HE1 MET 19 27.421 -12.102 -12.102 121 H GLY 20 HN GLY 20 32.599 -8.163 -8.163 122 1HA GLY 20 HA2 GLY 20 34.728 -7.307 -7.307 123 2HA GLY 20 HA1 GLY 20 34.821 -8.832 -8.832 124 H GLY 21 HN GLY 21 35.103 -7.781 -7.781 125 1HA GLY 21 HA2 GLY 21 36.583 -8.516 -8.516 126 2HA GLY 21 HA1 GLY 21 37.789 -8.390 -8.390 127 H GLY 22 HN GLY 22 35.259 -10.591 -10.591 128 1HA GLY 22 HA2 GLY 22 37.098 -12.849 -12.849 129 2HA GLY 22 HA1 GLY 22 35.658 -12.897 -12.897 130 H ASN 23 HN ASN 23 36.746 -12.811 -12.811 131 HA ASN 23 HA ASN 23 34.243 -13.058 -13.058 132 1HB ASN 23 HB2 ASN 23 36.819 -13.033 -13.033 133 2HB ASN 23 HB1 ASN 23 36.434 -14.744 -14.744 134 1HD2 ASN 23 HD22 ASN 23 35.099 -12.186 -12.186 135 2HD2 ASN 23 HD21 ASN 23 36.391 -11.877 -11.877 136 H VAL 24 HN VAL 24 33.291 -15.100 -15.100 137 HA VAL 24 HA VAL 24 33.894 -17.547 -17.547 138 HB VAL 24 HB VAL 24 31.603 -17.871 -17.871 139 1HG1 VAL 24 HG11 VAL 24 33.060 -16.285 -16.285 140 2HG1 VAL 24 HG13 VAL 24 32.246 -14.956 -14.956 141 3HG1 VAL 24 HG12 VAL 24 31.325 -16.049 -16.049 142 1HG2 VAL 24 HG21 VAL 24 31.127 -15.528 -15.528 143 2HG2 VAL 24 HG23 VAL 24 30.300 -17.085 -17.085 144 3HG2 VAL 24 HG22 VAL 24 29.989 -15.887 -15.887 145 H VAL 25 HN VAL 25 33.879 -16.420 -16.420 146 HA VAL 25 HA VAL 25 32.488 -18.802 -18.802 147 HB VAL 25 HB VAL 25 32.595 -15.962 -15.962 148 1HG1 VAL 25 HG11 VAL 25 32.441 -18.529 -18.529 149 2HG1 VAL 25 HG13 VAL 25 31.131 -17.414 -17.414 150 3HG1 VAL 25 HG12 VAL 25 32.809 -16.917 -16.917 151 1HG2 VAL 25 HG23 VAL 25 30.405 -17.897 -17.897 152 2HG2 VAL 25 HG22 VAL 25 30.729 -16.299 -16.299 153 3HG2 VAL 25 HG21 VAL 25 30.085 -16.454 -16.454 154 H MET 26 HN MET 26 34.904 -16.278 -16.278 155 HA MET 26 HA MET 26 36.303 -18.057 -18.057 156 1HB MET 26 HB2 MET 26 36.758 -15.301 -15.301 157 2HB MET 26 HB1 MET 26 38.100 -16.144 -16.144 158 1HG MET 26 HG2 MET 26 35.367 -15.765 -15.765 159 2HG MET 26 HG1 MET 26 36.758 -14.730 -14.730 160 1HE MET 26 HE3 MET 26 36.185 -15.160 -15.160 161 2HE MET 26 HE2 MET 26 37.947 -15.177 -15.177 162 3HE MET 26 HE1 MET 26 37.064 -16.368 -16.368 163 H ALA 27 HN ALA 27 38.939 -17.896 -17.896 164 HA ALA 27 HA ALA 27 39.274 -18.894 -18.894 165 1HB ALA 27 HB3 ALA 27 39.312 -20.517 -20.517 166 2HB ALA 27 HB2 ALA 27 41.003 -20.296 -20.296 167 3HB ALA 27 HB1 ALA 27 39.863 -20.961 -20.961 168 H ASN 28 HN ASN 28 39.932 -16.323 -16.323 169 HA ASN 28 HA ASN 28 42.642 -16.100 -16.100 170 1HB ASN 28 HB2 ASN 28 43.724 -15.481 -15.481 171 2HB ASN 28 HB1 ASN 28 43.003 -17.082 -17.082 172 1HD2 ASN 28 HD22 ASN 28 40.371 -15.870 -15.870 173 2HD2 ASN 28 HD21 ASN 28 40.679 -17.038 -17.038 174 H LYS 29 HN LYS 29 40.150 -14.621 -14.621 175 HA LYS 29 HA LYS 29 40.954 -11.911 -11.911 176 1HB LYS 29 HB2 LYS 29 39.033 -13.198 -13.198 177 2HB LYS 29 HB1 LYS 29 38.251 -11.904 -11.904 178 1HG LYS 29 HG2 LYS 29 39.493 -10.265 -10.265 179 2HG LYS 29 HG1 LYS 29 40.934 -11.277 -11.277 180 1HD LYS 29 HD2 LYS 29 39.943 -12.530 -12.530 181 2HD LYS 29 HD1 LYS 29 38.471 -11.565 -11.565 182 1HE LYS 29 HE2 LYS 29 39.551 -10.351 -10.351 183 2HE LYS 29 HE1 LYS 29 40.242 -9.563 -9.563 184 1HZ LYS 29 HZ2 LYS 29 41.952 -11.516 -11.516 185 2HZ LYS 29 HZ1 LYS 29 41.459 -11.493 -11.493 186 3HZ LYS 29 HZ3 LYS 29 42.126 -10.100 -10.100 187 H THR 30 HN THR 30 40.748 -11.204 -11.204 188 HA THR 30 HA THR 30 38.129 -11.655 -11.655 189 HB THR 30 HB THR 30 40.870 -11.853 -11.853 190 HG1 THR 30 HG1 THR 30 40.370 -13.695 -13.695 191 1HG2 THR 30 HG21 THR 30 38.434 -11.107 -11.107 192 2HG2 THR 30 HG23 THR 30 38.584 -12.822 -12.822 193 3HG2 THR 30 HG22 THR 30 39.852 -11.697 -11.697 194 H LEU 31 HN LEU 31 37.475 -9.985 -9.985 195 HA LEU 31 HA LEU 31 38.383 -7.368 -7.368 196 1HB LEU 31 HB2 LEU 31 36.274 -8.483 -8.483 197 2HB LEU 31 HB1 LEU 31 36.760 -6.811 -6.811 198 HG LEU 31 HG LEU 31 36.233 -6.234 -6.234 199 1HD1 LEU 31 HD13 LEU 31 36.393 -9.163 -9.163 200 2HD1 LEU 31 HD12 LEU 31 35.295 -8.243 -8.243 201 3HD1 LEU 31 HD11 LEU 31 37.010 -7.845 -7.845 202 1HD2 LEU 31 HD22 LEU 31 34.167 -8.090 -8.090 203 2HD2 LEU 31 HD21 LEU 31 34.225 -6.336 -6.336 204 3HD2 LEU 31 HD23 LEU 31 33.880 -7.084 -7.084 205 H LYS 32 HN LYS 32 39.269 -9.494 -9.494 206 HA LYS 32 HA LYS 32 39.879 -7.885 -7.885 207 1HB LYS 32 HB2 LYS 32 40.891 -10.356 -10.356 208 2HB LYS 32 HB1 LYS 32 42.271 -9.380 -9.380 209 1HG LYS 32 HG2 LYS 32 41.764 -9.625 -9.625 210 2HG LYS 32 HG1 LYS 32 40.072 -9.206 -9.206 211 1HD LYS 32 HD2 LYS 32 39.897 -11.431 -11.431 212 2HD LYS 32 HD1 LYS 32 39.950 -11.605 -11.605 213 1HE LYS 32 HE2 LYS 32 42.640 -11.503 -11.503 214 2HE LYS 32 HE1 LYS 32 41.740 -12.713 -12.713 215 1HZ LYS 32 HZ1 LYS 32 41.426 -12.646 -12.646 216 2HZ LYS 32 HZ3 LYS 32 42.856 -13.299 -13.299 217 3HZ LYS 32 HZ2 LYS 32 41.355 -13.967 -13.967 218 H LYS 33 HN LYS 33 42.673 -8.538 -8.538 219 HA LYS 33 HA LYS 33 43.159 -5.913 -5.913 220 1HB LYS 33 HB2 LYS 33 44.831 -5.124 -5.124 221 2HB LYS 33 HB1 LYS 33 43.241 -5.287 -5.287 222 1HG LYS 33 HG2 LYS 33 43.901 -7.540 -7.540 223 2HG LYS 33 HG1 LYS 33 45.511 -7.294 -7.294 224 1HD LYS 33 HD2 LYS 33 44.633 -5.055 -5.055 225 2HD LYS 33 HD1 LYS 33 44.734 -6.578 -6.578 226 1HE LYS 33 HE2 LYS 33 47.006 -6.709 -6.709 227 2HE LYS 33 HE1 LYS 33 46.986 -6.018 -6.018 228 1HZ LYS 33 HZ3 LYS 33 46.143 -3.991 -3.991 229 2HZ LYS 33 HZ2 LYS 33 47.392 -4.729 -4.729 230 3HZ LYS 33 HZ1 LYS 33 47.684 -4.150 -4.150 231 H GLU 34 HN GLU 34 44.716 -8.712 -8.712 232 HA GLU 34 HA GLU 34 47.211 -8.579 -8.579 233 1HB GLU 34 HB2 GLU 34 45.657 -11.096 -11.096 234 2HB GLU 34 HB1 GLU 34 47.404 -10.972 -10.972 235 1HG GLU 34 HG2 GLU 34 46.454 -9.028 -9.028 236 2HG GLU 34 HG1 GLU 34 45.981 -10.666 -10.666 237 H ALA 35 HN ALA 35 44.129 -9.811 -9.811 238 HA ALA 35 HA ALA 35 45.391 -10.616 -10.616 239 1HB ALA 35 HB1 ALA 35 42.943 -11.356 -11.356 240 2HB ALA 35 HB3 ALA 35 42.743 -11.221 -11.221 241 3HB ALA 35 HB2 ALA 35 43.944 -12.328 -12.328 242 H LEU 36 HN LEU 36 42.907 -8.397 -8.397 243 HA LEU 36 HA LEU 36 42.187 -7.425 -7.425 244 1HB LEU 36 HB2 LEU 36 40.710 -6.065 -6.065 245 2HB LEU 36 HB1 LEU 36 41.001 -7.226 -7.226 246 HG LEU 36 HG LEU 36 43.007 -5.577 -5.577 247 1HD1 LEU 36 HD11 LEU 36 41.303 -4.164 -4.164 248 2HD1 LEU 36 HD13 LEU 36 41.542 -3.263 -3.263 249 3HD1 LEU 36 HD12 LEU 36 42.932 -3.778 -3.778 250 1HD2 LEU 36 HD22 LEU 36 40.079 -5.300 -5.300 251 2HD2 LEU 36 HD21 LEU 36 41.331 -6.087 -6.087 252 3HD2 LEU 36 HD23 LEU 36 41.308 -4.329 -4.329 253 H GLU 37 HN GLU 37 44.941 -7.061 -7.061 254 HA GLU 37 HA GLU 37 45.715 -4.618 -4.618 255 1HB GLU 37 HB2 GLU 37 46.791 -5.588 -5.588 256 2HB GLU 37 HB1 GLU 37 47.221 -4.082 -4.082 257 1HG GLU 37 HG2 GLU 37 44.595 -3.698 -3.698 258 2HG GLU 37 HG1 GLU 37 44.686 -4.821 -4.821 259 H GLN 38 HN GLN 38 46.014 -7.837 -7.837 260 HA GLN 38 HA GLN 38 48.886 -8.100 -8.100 261 1HB GLN 38 HB2 GLN 38 47.912 -10.047 -10.047 262 2HB GLN 38 HB1 GLN 38 46.492 -9.910 -9.910 263 1HG GLN 38 HG2 GLN 38 48.089 -11.742 -11.742 264 2HG GLN 38 HG1 GLN 38 47.756 -10.564 -10.564 265 1HE2 GLN 38 HE22 GLN 38 51.239 -9.567 -9.567 266 2HE2 GLN 38 HE21 GLN 38 49.772 -9.606 -9.606 267 H PHE 39 HN PHE 39 45.997 -8.389 -8.389 268 HA PHE 39 HA PHE 39 47.655 -8.312 -8.312 269 1HB PHE 39 HB2 PHE 39 45.188 -8.224 -8.224 270 2HB PHE 39 HB1 PHE 39 45.933 -9.721 -9.721 271 HD1 PHE 39 HD1 PHE 39 43.945 -6.881 -6.881 272 HD2 PHE 39 HD2 PHE 39 44.716 -11.110 -11.110 273 HE1 PHE 39 HE1 PHE 39 42.114 -7.270 -7.270 274 HE2 PHE 39 HE2 PHE 39 42.876 -11.491 -11.491 275 HZ PHE 39 HZ PHE 39 41.574 -9.570 -9.570 276 H GLY 40 HN GLY 40 45.443 -6.228 -6.228 277 1HA GLY 40 HA2 GLY 40 46.096 -3.789 -3.789 278 2HA GLY 40 HA1 GLY 40 46.202 -4.050 -4.050 279 H MET 41 HN MET 41 43.713 -4.892 -4.892 280 HA MET 41 HA MET 41 41.736 -3.532 -3.532 281 1HB MET 41 HB2 MET 41 40.245 -5.207 -5.207 282 2HB MET 41 HB1 MET 41 41.675 -6.142 -6.142 283 1HG MET 41 HG2 MET 41 40.505 -6.562 -6.562 284 2HG MET 41 HG1 MET 41 41.149 -5.013 -5.013 285 1HE MET 41 HE2 MET 41 39.781 -3.407 -3.407 286 2HE MET 41 HE1 MET 41 38.036 -3.555 -3.555 287 3HE MET 41 HE3 MET 41 39.100 -4.862 -4.862 288 H TYR 42 HN TYR 42 43.510 -2.871 -2.871 289 HA TYR 42 HA TYR 42 41.638 -2.058 -2.058 290 1HB TYR 42 HB2 TYR 42 44.122 -2.499 -2.499 291 2HB TYR 42 HB1 TYR 42 44.400 -0.945 -0.945 292 HD1 TYR 42 HD1 TYR 42 43.762 1.165 1.165 293 HD2 TYR 42 HD2 TYR 42 43.216 -2.619 -2.619 294 HE1 TYR 42 HE1 TYR 42 43.435 2.330 2.330 295 HE2 TYR 42 HE2 TYR 42 42.884 -1.456 -1.456 296 HH TYR 42 HH TYR 42 43.535 1.925 1.925 297 H SER 43 HN SER 43 41.604 -0.921 -0.921 298 HA SER 43 HA SER 43 41.408 1.943 1.943 299 1HB SER 43 HB2 SER 43 41.948 2.480 2.480 300 2HB SER 43 HB1 SER 43 42.767 0.918 0.918 301 HG SER 43 HG SER 43 41.498 0.965 0.965 302 H GLU 44 HN GLU 44 39.467 3.068 3.068 303 HA GLU 44 HA GLU 44 37.000 1.835 1.835 304 1HB GLU 44 HB2 GLU 44 37.396 4.325 4.325 305 2HB GLU 44 HB1 GLU 44 35.989 3.891 3.891 306 1HG GLU 44 HG2 GLU 44 37.887 3.811 3.811 307 2HG GLU 44 HG1 GLU 44 38.611 5.015 5.015 308 H ASP 45 HN ASP 45 38.292 3.017 3.017 309 HA ASP 45 HA ASP 45 36.335 2.006 2.006 310 1HB ASP 45 HB2 ASP 45 38.207 3.353 3.353 311 2HB ASP 45 HB1 ASP 45 39.281 1.989 1.989 312 H ALA 46 HN ALA 46 39.005 0.184 0.184 313 HA ALA 46 HA ALA 46 38.663 -2.235 -2.235 314 1HB ALA 46 HB2 ALA 46 40.059 -1.372 -1.372 315 2HB ALA 46 HB1 ALA 46 39.429 -3.011 -3.011 316 3HB ALA 46 HB3 ALA 46 40.515 -2.609 -2.609 317 H ILE 47 HN ILE 47 37.704 -1.797 -1.797 318 HA ILE 47 HA ILE 47 35.812 -3.958 -3.958 319 HB ILE 47 HB ILE 47 36.932 -3.039 -3.039 320 1HG1 ILE 47 HG12 ILE 47 33.924 -2.741 -2.741 321 2HG1 ILE 47 HG11 ILE 47 34.772 -4.286 -4.286 322 1HG2 ILE 47 HG23 ILE 47 35.625 -0.611 -0.611 323 2HG2 ILE 47 HG22 ILE 47 35.347 -0.918 -0.918 324 3HG2 ILE 47 HG21 ILE 47 36.996 -0.793 -0.793 325 1HD1 ILE 47 HD12 ILE 47 36.158 -3.276 -3.276 326 2HD1 ILE 47 HD11 ILE 47 34.976 -1.977 -1.977 327 3HD1 ILE 47 HD13 ILE 47 34.468 -3.627 -3.627 328 H ILE 48 HN ILE 48 35.662 -0.882 -0.882 329 HA ILE 48 HA ILE 48 32.757 -0.551 -0.551 330 HB ILE 48 HB ILE 48 34.964 1.068 1.068 331 1HG1 ILE 48 HG12 ILE 48 32.895 1.685 1.685 332 2HG1 ILE 48 HG11 ILE 48 34.569 1.244 1.244 333 1HG2 ILE 48 HG23 ILE 48 32.656 0.984 0.984 334 2HG2 ILE 48 HG22 ILE 48 32.141 2.047 2.047 335 3HG2 ILE 48 HG21 ILE 48 33.486 2.513 2.513 336 1HD1 ILE 48 HD11 ILE 48 33.734 3.629 3.629 337 2HD1 ILE 48 HD13 ILE 48 34.148 3.725 3.725 338 3HD1 ILE 48 HD12 ILE 48 35.365 3.233 3.233 339 H TYR 49 HN TYR 49 35.085 -1.805 -1.805 340 HA TYR 49 HA TYR 49 33.106 -1.950 -1.950 341 1HB TYR 49 HB2 TYR 49 35.305 -1.511 -1.511 342 2HB TYR 49 HB1 TYR 49 36.013 -2.750 -2.750 343 HD1 TYR 49 HD1 TYR 49 33.363 -2.427 -2.427 344 HD2 TYR 49 HD2 TYR 49 36.523 -4.810 -4.810 345 HE1 TYR 49 HE1 TYR 49 33.004 -4.128 -4.128 346 HE2 TYR 49 HE2 TYR 49 36.167 -6.512 -6.512 347 HH TYR 49 HH TYR 49 35.067 -7.028 -7.028 348 H GLN 50 HN GLN 50 34.346 -3.981 -3.981 349 HA GLN 50 HA GLN 50 33.149 -6.338 -6.338 350 1HB GLN 50 HB2 GLN 50 34.005 -7.638 -7.638 351 2HB GLN 50 HB1 GLN 50 35.267 -6.826 -6.826 352 1HG GLN 50 HG2 GLN 50 35.907 -6.215 -6.215 353 2HG GLN 50 HG1 GLN 50 34.798 -4.906 -4.906 354 1HE2 GLN 50 HE22 GLN 50 33.088 -5.743 -5.743 355 2HE2 GLN 50 HE21 GLN 50 33.886 -4.546 -4.546 356 H VAL 51 HN VAL 51 32.540 -4.030 -4.030 357 HA VAL 51 HA VAL 51 30.386 -5.503 -5.503 358 HB VAL 51 HB VAL 51 31.395 -2.668 -2.668 359 1HG1 VAL 51 HG12 VAL 51 28.695 -3.633 -3.633 360 2HG1 VAL 51 HG11 VAL 51 29.516 -2.337 -2.337 361 3HG1 VAL 51 HG13 VAL 51 29.115 -2.136 -2.136 362 1HG2 VAL 51 HG21 VAL 51 31.422 -5.052 -5.052 363 2HG2 VAL 51 HG23 VAL 51 32.485 -3.647 -3.647 364 3HG2 VAL 51 HG22 VAL 51 30.936 -3.601 -3.601 365 H GLN 52 HN GLN 52 30.560 -2.782 -2.782 366 HA GLN 52 HA GLN 52 27.761 -2.475 -2.475 367 1HB GLN 52 HB2 GLN 52 30.152 -1.385 -1.385 368 2HB GLN 52 HB1 GLN 52 29.056 -1.765 -1.765 369 1HG GLN 52 HG2 GLN 52 27.424 -0.299 -0.299 370 2HG GLN 52 HG1 GLN 52 27.924 -0.415 -0.415 371 1HE2 GLN 52 HE22 GLN 52 30.769 1.867 1.867 372 2HE2 GLN 52 HE21 GLN 52 30.540 0.319 0.319 373 H HIS 53 HN HIS 53 29.819 -5.002 -5.002 374 HA HIS 53 HA HIS 53 27.570 -5.845 -5.845 375 1HB HIS 53 HB2 HIS 53 30.223 -6.235 -6.235 376 2HB HIS 53 HB1 HIS 53 28.720 -5.869 -5.869 377 HD1 HIS 53 HD1 HIS 53 28.894 -3.627 -3.627 378 HD2 HIS 53 HD2 HIS 53 30.957 -3.687 -3.687 379 HE1 HIS 53 HE1 HIS 53 29.862 -1.309 -1.309 380 H GLY 54 HN GLY 54 29.340 -6.621 -6.621 381 1HA GLY 54 HA2 GLY 54 29.841 -8.726 -8.726 382 2HA GLY 54 HA1 GLY 54 29.083 -9.445 -9.445 383 H LYS 55 HN LYS 55 30.576 -10.751 -10.751 384 HA LYS 55 HA LYS 55 32.518 -10.348 -10.348 385 1HB LYS 55 HB2 LYS 55 33.503 -9.305 -9.305 386 2HB LYS 55 HB1 LYS 55 34.588 -10.469 -10.469 387 1HG LYS 55 HG2 LYS 55 34.703 -7.872 -7.872 388 2HG LYS 55 HG1 LYS 55 35.033 -9.140 -9.140 389 1HD LYS 55 HD2 LYS 55 32.181 -8.475 -8.475 390 2HD LYS 55 HD1 LYS 55 33.175 -7.085 -7.085 391 1HE LYS 55 HE2 LYS 55 33.474 -7.892 -7.892 392 2HE LYS 55 HE1 LYS 55 34.112 -9.403 -9.403 393 1HZ LYS 55 HZ1 LYS 55 31.290 -9.222 -9.222 394 2HZ LYS 55 HZ3 LYS 55 31.721 -9.061 -9.061 395 3HZ LYS 55 HZ2 LYS 55 32.210 -10.433 -10.433 396 H ASN 56 HN ASN 56 33.510 -12.251 -12.251 397 HA ASN 56 HA ASN 56 33.765 -14.576 -14.576 398 1HB ASN 56 HB2 ASN 56 34.518 -13.880 -13.880 399 2HB ASN 56 HB1 ASN 56 34.726 -15.493 -15.493 400 1HD2 ASN 56 HD22 ASN 56 36.980 -12.456 -12.456 401 2HD2 ASN 56 HD21 ASN 56 35.410 -12.112 -12.112 402 H ALA 57 HN ALA 57 32.845 -14.601 -14.601 403 HA ALA 57 HA ALA 57 30.154 -15.672 -15.672 404 1HB ALA 57 HB1 ALA 57 32.199 -17.233 -17.233 405 2HB ALA 57 HB3 ALA 57 31.355 -16.758 -16.758 406 3HB ALA 57 HB2 ALA 57 30.485 -17.595 -17.595 407 H MET 58 HN MET 58 30.492 -13.028 -13.028 408 HA MET 58 HA MET 58 29.530 -12.836 -12.836 409 1HB MET 58 HB2 MET 58 31.696 -11.880 -11.880 410 2HB MET 58 HB1 MET 58 31.377 -11.031 -11.031 411 1HG MET 58 HG2 MET 58 29.499 -9.830 -9.830 412 2HG MET 58 HG1 MET 58 30.384 -10.413 -10.413 413 1HE MET 58 HE1 MET 58 30.961 -8.304 -8.304 414 2HE MET 58 HE3 MET 58 31.669 -6.896 -6.896 415 3HE MET 58 HE2 MET 58 30.030 -7.408 -7.408 416 HA PRO 59 HA PRO 59 25.946 -10.975 -10.975 417 1HB PRO 59 HB2 PRO 59 24.989 -9.906 -9.906 418 2HB PRO 59 HB1 PRO 59 24.892 -11.620 -11.620 419 1HG PRO 59 HG2 PRO 59 26.661 -10.211 -10.211 420 2HG PRO 59 HG1 PRO 59 26.131 -11.898 -11.898 421 1HD PRO 59 HD2 PRO 59 28.652 -10.920 -10.920 422 2HD PRO 59 HD1 PRO 59 28.032 -12.560 -12.560 423 H ALA 60 HN ALA 60 26.290 -9.154 -9.154 424 HA ALA 60 HA ALA 60 27.492 -6.734 -6.734 425 1HB ALA 60 HB1 ALA 60 24.813 -7.183 -7.183 426 2HB ALA 60 HB3 ALA 60 25.835 -5.766 -5.766 427 3HB ALA 60 HB2 ALA 60 26.384 -7.350 -7.350 428 H PHE 61 HN PHE 61 26.483 -4.601 -4.601 429 HA PHE 61 HA PHE 61 24.227 -4.560 -4.560 430 1HB PHE 61 HB2 PHE 61 27.048 -3.806 -3.806 431 2HB PHE 61 HB1 PHE 61 25.653 -3.149 -3.149 432 HD1 PHE 61 HD1 PHE 61 23.946 -4.805 -4.805 433 HD2 PHE 61 HD2 PHE 61 27.866 -5.953 -5.953 434 HE1 PHE 61 HE1 PHE 61 23.793 -6.894 -6.894 435 HE2 PHE 61 HE2 PHE 61 27.715 -8.034 -8.034 436 HZ PHE 61 HZ PHE 61 25.682 -8.504 -8.504 437 H ALA 62 HN ALA 62 25.414 -3.441 -3.441 438 HA ALA 62 HA ALA 62 25.805 -0.702 -0.702 439 1HB ALA 62 HB3 ALA 62 24.978 -2.627 -2.627 440 2HB ALA 62 HB2 ALA 62 24.025 -1.156 -1.156 441 3HB ALA 62 HB1 ALA 62 25.785 -1.078 -1.078 442 H GLY 63 HN GLY 63 22.861 -2.492 -2.492 443 1HA GLY 63 HA2 GLY 63 21.620 -0.092 -0.092 444 2HA GLY 63 HA1 GLY 63 20.809 -0.698 -0.698 445 H ARG 64 HN ARG 64 22.465 -2.623 -2.623 446 HA ARG 64 HA ARG 64 19.903 -4.012 -4.012 447 1HB ARG 64 HB2 ARG 64 21.861 -5.358 -5.358 448 2HB ARG 64 HB1 ARG 64 22.768 -4.813 -4.813 449 1HG ARG 64 HG2 ARG 64 20.959 -5.802 -5.802 450 2HG ARG 64 HG1 ARG 64 20.246 -6.488 -6.488 451 1HD ARG 64 HD2 ARG 64 23.052 -7.044 -7.044 452 2HD ARG 64 HD1 ARG 64 22.399 -7.532 -7.532 453 HE ARG 64 HE ARG 64 21.708 -8.717 -8.717 454 1HH1 ARG 64 HH11 ARG 64 22.116 -9.450 -9.450 455 2HH1 ARG 64 HH12 ARG 64 20.656 -10.361 -10.361 456 1HH2 ARG 64 HH21 ARG 64 19.328 -9.401 -9.401 457 2HH2 ARG 64 HH22 ARG 64 19.079 -10.333 -10.333 458 H LEU 65 HN LEU 65 22.785 -2.502 -2.502 459 HA LEU 65 HA LEU 65 21.775 -2.438 -2.438 460 1HB LEU 65 HB2 LEU 65 24.029 -0.843 -0.843 461 2HB LEU 65 HB1 LEU 65 23.769 -1.151 -1.151 462 HG LEU 65 HG LEU 65 24.518 -3.145 -3.145 463 1HD1 LEU 65 HD12 LEU 65 26.028 -1.577 -1.577 464 2HD1 LEU 65 HD11 LEU 65 25.990 -3.177 -3.177 465 3HD1 LEU 65 HD13 LEU 65 26.596 -2.981 -2.981 466 1HD2 LEU 65 HD22 LEU 65 23.507 -3.573 -3.573 467 2HD2 LEU 65 HD21 LEU 65 22.880 -4.273 -4.273 468 3HD2 LEU 65 HD23 LEU 65 24.443 -4.793 -4.793 469 H THR 66 HN THR 66 22.731 0.404 0.404 470 HA THR 66 HA THR 66 20.147 1.625 1.625 471 HB THR 66 HB THR 66 22.250 2.431 2.431 472 HG1 THR 66 HG1 THR 66 19.506 1.781 1.781 473 1HG2 THR 66 HG23 THR 66 19.967 4.108 4.108 474 2HG2 THR 66 HG22 THR 66 20.916 4.499 4.499 475 3HG2 THR 66 HG21 THR 66 21.687 4.463 4.463 476 H ASP 67 HN ASP 67 23.568 2.590 2.590 477 HA ASP 67 HA ASP 67 24.248 3.146 3.146 478 1HB ASP 67 HB2 ASP 67 22.061 4.961 4.961 479 2HB ASP 67 HB1 ASP 67 23.475 5.791 5.791 480 H GLU 68 HN GLU 68 23.694 5.190 5.190 481 HA GLU 68 HA GLU 68 26.340 6.354 6.354 482 1HB GLU 68 HB2 GLU 68 24.601 7.540 7.540 483 2HB GLU 68 HB1 GLU 68 24.110 6.106 6.106 484 1HG GLU 68 HG2 GLU 68 25.874 6.297 6.297 485 2HG GLU 68 HG1 GLU 68 26.925 7.084 7.084 486 H GLN 69 HN GLN 69 25.354 3.254 3.254 487 HA GLN 69 HA GLN 69 27.433 2.650 2.650 488 1HB GLN 69 HB2 GLN 69 25.791 0.400 0.400 489 2HB GLN 69 HB1 GLN 69 26.061 1.151 1.151 490 1HG GLN 69 HG2 GLN 69 24.055 2.046 2.046 491 2HG GLN 69 HG1 GLN 69 23.670 1.230 1.230 492 1HE2 GLN 69 HE22 GLN 69 25.291 4.554 4.554 493 2HE2 GLN 69 HE21 GLN 69 26.144 3.132 3.132 494 H ILE 70 HN ILE 70 26.257 2.061 2.061 495 HA ILE 70 HA ILE 70 28.114 -0.030 -0.030 496 HB ILE 70 HB ILE 70 27.154 2.275 2.275 497 1HG1 ILE 70 HG12 ILE 70 25.219 1.090 1.090 498 2HG1 ILE 70 HG11 ILE 70 25.537 0.493 0.493 499 1HG2 ILE 70 HG21 ILE 70 29.196 0.688 0.688 500 2HG2 ILE 70 HG23 ILE 70 27.902 -0.433 -0.433 501 3HG2 ILE 70 HG22 ILE 70 28.005 1.136 1.136 502 1HD1 ILE 70 HD11 ILE 70 26.766 -1.435 -1.435 503 2HD1 ILE 70 HD13 ILE 70 26.383 -0.849 -0.849 504 3HD1 ILE 70 HD12 ILE 70 25.089 -1.387 -1.387 505 H GLN 71 HN GLN 71 28.326 3.267 3.267 506 HA GLN 71 HA GLN 71 31.073 3.648 3.648 507 1HB GLN 71 HB2 GLN 71 28.764 5.283 5.283 508 2HB GLN 71 HB1 GLN 71 30.378 5.933 5.933 509 1HG GLN 71 HG2 GLN 71 29.363 6.658 6.658 510 2HG GLN 71 HG1 GLN 71 30.891 5.797 5.797 511 1HE2 GLN 71 HE22 GLN 71 27.431 4.104 4.104 512 2HE2 GLN 71 HE21 GLN 71 27.379 5.526 5.526 513 H ASP 72 HN ASP 72 29.306 4.593 4.593 514 HA ASP 72 HA ASP 72 31.302 4.766 4.766 515 1HB ASP 72 HB2 ASP 72 28.437 3.839 3.839 516 2HB ASP 72 HB1 ASP 72 29.432 4.000 4.000 517 H VAL 73 HN VAL 73 29.398 1.878 1.878 518 HA VAL 73 HA VAL 73 30.693 0.072 0.072 519 HB VAL 73 HB VAL 73 28.534 -0.112 -0.112 520 1HG1 VAL 73 HG12 VAL 73 30.159 -0.307 -0.307 521 2HG1 VAL 73 HG11 VAL 73 30.491 -1.931 -1.931 522 3HG1 VAL 73 HG13 VAL 73 28.854 -1.488 -1.488 523 1HG2 VAL 73 HG22 VAL 73 30.277 -2.060 -2.060 524 2HG2 VAL 73 HG21 VAL 73 28.567 -1.705 -1.705 525 3HG2 VAL 73 HG23 VAL 73 29.072 -2.731 -2.731 526 H ALA 74 HN ALA 74 31.566 1.157 1.157 527 HA ALA 74 HA ALA 74 33.613 -0.851 -0.851 528 1HB ALA 74 HB3 ALA 74 32.496 0.970 0.970 529 2HB ALA 74 HB2 ALA 74 33.991 1.811 1.811 530 3HB ALA 74 HB1 ALA 74 34.053 0.207 0.207 531 H ALA 75 HN ALA 75 33.921 2.645 2.645 532 HA ALA 75 HA ALA 75 36.583 2.655 2.655 533 1HB ALA 75 HB2 ALA 75 34.169 4.403 4.403 534 2HB ALA 75 HB1 ALA 75 35.466 4.650 4.650 535 3HB ALA 75 HB3 ALA 75 35.799 4.818 4.818 536 H TYR 76 HN TYR 76 33.635 1.553 1.553 537 HA TYR 76 HA TYR 76 34.202 1.664 1.664 538 1HB TYR 76 HB2 TYR 76 31.933 1.255 1.255 539 2HB TYR 76 HB1 TYR 76 32.455 -0.157 -0.157 540 HD1 TYR 76 HD1 TYR 76 32.019 1.182 1.182 541 HD2 TYR 76 HD2 TYR 76 32.707 -2.243 -2.243 542 HE1 TYR 76 HE1 TYR 76 31.632 -0.187 -0.187 543 HE2 TYR 76 HE2 TYR 76 32.288 -3.685 -3.685 544 HH TYR 76 HH TYR 76 32.310 -3.563 -3.563 545 H VAL 77 HN VAL 77 34.723 -0.897 -0.897 546 HA VAL 77 HA VAL 77 35.907 -2.695 -2.695 547 HB VAL 77 HB VAL 77 36.097 -2.540 -2.540 548 1HG1 VAL 77 HG11 VAL 77 37.974 -3.772 -3.772 549 2HG1 VAL 77 HG13 VAL 77 36.767 -5.055 -5.055 550 3HG1 VAL 77 HG12 VAL 77 37.442 -4.394 -4.394 551 1HG2 VAL 77 HG22 VAL 77 34.522 -4.273 -4.273 552 2HG2 VAL 77 HG21 VAL 77 33.873 -3.102 -3.102 553 3HG2 VAL 77 HG23 VAL 77 34.630 -4.586 -4.586 554 H LEU 78 HN LEU 78 37.004 0.039 0.039 555 HA LEU 78 HA LEU 78 39.850 -0.581 -0.581 556 1HB LEU 78 HB2 LEU 78 38.890 2.163 2.163 557 2HB LEU 78 HB1 LEU 78 40.296 1.282 1.282 558 HG LEU 78 HG LEU 78 37.412 1.009 1.009 559 1HD1 LEU 78 HD12 LEU 78 39.927 1.941 1.941 560 2HD1 LEU 78 HD11 LEU 78 39.172 0.717 0.717 561 3HD1 LEU 78 HD13 LEU 78 38.282 2.177 2.177 562 1HD2 LEU 78 HD22 LEU 78 39.321 -1.159 -1.159 563 2HD2 LEU 78 HD21 LEU 78 37.617 -1.233 -1.233 564 3HD2 LEU 78 HD23 LEU 78 38.846 -0.987 -0.987 565 H ASP 79 HN ASP 79 37.346 0.663 0.663 566 HA ASP 79 HA ASP 79 39.100 2.375 2.375 567 1HB ASP 79 HB2 ASP 79 36.600 2.809 2.809 568 2HB ASP 79 HB1 ASP 79 36.240 1.860 1.860 569 H GLN 80 HN GLN 80 37.233 -0.575 -0.575 570 HA GLN 80 HA GLN 80 37.633 -1.105 -1.105 571 1HB GLN 80 HB2 GLN 80 36.819 -3.007 -3.007 572 2HB GLN 80 HB1 GLN 80 36.488 -3.160 -3.160 573 1HG GLN 80 HG2 GLN 80 35.569 -0.622 -0.622 574 2HG GLN 80 HG1 GLN 80 34.793 -2.035 -2.035 575 1HE2 GLN 80 HE22 GLN 80 33.462 -0.837 -0.837 576 2HE2 GLN 80 HE21 GLN 80 34.281 0.139 0.139 577 H ALA 81 HN ALA 81 39.164 -2.070 -2.070 578 HA ALA 81 HA ALA 81 40.776 -4.180 -4.180 579 1HB ALA 81 HB3 ALA 81 41.148 -2.372 -2.372 580 2HB ALA 81 HB2 ALA 81 42.227 -3.717 -3.717 581 3HB ALA 81 HB1 ALA 81 40.528 -4.022 -4.022 582 H ALA 82 HN ALA 82 41.423 -0.711 -0.711 583 HA ALA 82 HA ALA 82 44.033 -1.001 -1.001 584 1HB ALA 82 HB2 ALA 82 42.566 1.368 1.368 585 2HB ALA 82 HB1 ALA 82 44.161 1.483 1.483 586 3HB ALA 82 HB3 ALA 82 43.934 0.506 0.506 587 H LYS 83 HN LYS 83 41.197 -1.151 -1.151 588 HA LYS 83 HA LYS 83 42.183 0.444 0.444 589 1HB LYS 83 HB2 LYS 83 40.235 1.711 1.711 590 2HB LYS 83 HB1 LYS 83 40.461 1.742 1.742 591 1HG LYS 83 HG2 LYS 83 38.908 -0.235 -0.235 592 2HG LYS 83 HG1 LYS 83 38.584 -0.050 -0.050 593 1HD LYS 83 HD2 LYS 83 38.223 2.228 2.228 594 2HD LYS 83 HD1 LYS 83 36.927 1.090 1.090 595 1HE LYS 83 HE2 LYS 83 36.848 1.740 1.740 596 2HE LYS 83 HE1 LYS 83 38.418 2.540 2.540 597 1HZ LYS 83 HZ1 LYS 83 37.140 3.915 3.915 598 2HZ LYS 83 HZ3 LYS 83 35.800 3.474 3.474 599 3HZ LYS 83 HZ2 LYS 83 37.083 4.340 4.340 600 H GLY 84 HN GLY 84 41.775 -2.509 -2.509 601 1HA GLY 84 HA2 GLY 84 41.434 -4.260 -4.260 602 2HA GLY 84 HA1 GLY 84 40.606 -3.108 -3.108 603 H TRP 85 HN TRP 85 40.227 -4.778 -4.778 604 HA TRP 85 HA TRP 85 37.596 -4.402 -4.402 605 1HB TRP 85 HB2 TRP 85 39.496 -6.571 -6.571 606 2HB TRP 85 HB1 TRP 85 37.850 -7.178 -7.178 607 HD1 TRP 85 HD1 TRP 85 40.177 -6.117 -6.117 608 HE1 TRP 85 HE1 TRP 85 38.987 -5.254 -5.254 609 HE3 TRP 85 HE3 TRP 85 35.494 -5.471 -5.471 610 HZ2 TRP 85 HZ2 TRP 85 36.378 -4.446 -4.446 611 HZ3 TRP 85 HZ3 TRP 85 33.669 -4.630 -4.630 612 HH2 TRP 85 HH2 TRP 85 34.091 -4.080 -4.080 613 H ALA 86 HN ALA 86 36.422 -3.985 -3.985 614 HA ALA 86 HA ALA 86 35.108 -4.581 -4.581 615 1HB ALA 86 HB3 ALA 86 33.865 -5.564 -5.564 616 2HB ALA 86 HB2 ALA 86 34.697 -7.089 -7.089 617 3HB ALA 86 HB1 ALA 86 33.600 -6.431 -6.431 618 H GLY 87 HN GLY 87 37.970 -5.468 -5.468 619 1HA GLY 87 HA2 GLY 87 39.398 -6.938 -6.938 620 2HA GLY 87 HA1 GLY 87 38.200 -6.730 -6.730 621 HHA HEC 88 HA HEM 88 36.078 -9.977 -9.977 622 HHB HEC 88 HB HEM 88 33.688 -5.266 -5.266 623 HHC HEC 88 HC HEM 88 28.048 -8.183 -8.183 624 HHD HEC 88 HD HEM 88 30.665 -13.152 -13.152 625 1HMA HEC 88 HMA1 HEM 88 37.360 -6.011 -6.011 626 2HMA HEC 88 HMA2 HEM 88 35.833 -5.218 -5.218 627 3HMA HEC 88 HMA3 HEM 88 36.526 -4.820 -4.820 628 1HAA HEC 88 HAA1 HEM 88 38.149 -7.497 -7.497 629 2HAA HEC 88 HAA2 HEM 88 37.608 -9.029 -9.029 630 1HBA HEC 88 HBA1 HEM 88 38.775 -7.394 -7.394 631 2HBA HEC 88 HBA2 HEM 88 37.286 -6.384 -6.384 632 1HMB HEC 88 HMB1 HEM 88 30.527 -3.651 -3.651 633 2HMB HEC 88 HMB2 HEM 88 32.287 -3.921 -3.921 634 3HMB HEC 88 HMB3 HEM 88 31.520 -4.601 -4.601 635 HAB HEC 88 HAB HEM 88 27.743 -6.420 -6.420 636 1HBB HEC 88 HBB1 HEM 88 27.554 -4.859 -4.859 637 2HBB HEC 88 HBB2 HEM 88 29.199 -4.189 -4.189 638 3HBB HEC 88 HBB3 HEM 88 27.790 -3.635 -3.635 639 1HMC HEC 88 HMC1 HEM 88 26.672 -11.111 -11.111 640 2HMC HEC 88 HMC2 HEM 88 26.647 -9.427 -9.427 641 3HMC HEC 88 HMC3 HEM 88 26.082 -10.793 -10.793 642 HAC HEC 88 HAC HEM 88 27.366 -13.309 -13.309 643 1HBC HEC 88 HBC1 HEM 88 28.931 -15.204 -15.204 644 2HBC HEC 88 HBC2 HEM 88 30.264 -13.995 -13.995 645 3HBC HEC 88 HBC3 HEM 88 29.225 -14.357 -14.357 646 1HMD HEC 88 HMD1 HEM 88 32.315 -14.622 -14.622 647 2HMD HEC 88 HMD2 HEM 88 32.455 -14.011 -14.011 648 3HMD HEC 88 HMD3 HEM 88 33.920 -14.621 -14.621 649 1HAD HEC 88 HAD1 HEM 88 36.067 -13.276 -13.276 650 2HAD HEC 88 HAD2 HEM 88 36.372 -11.545 -11.545 651 1HBD HEC 88 HBD1 HEM 88 35.555 -13.815 -13.815 652 2HBD HEC 88 HBD2 HEM 88 34.349 -12.470 -12.470 Start of MODEL 16 1 1H ALA 1 HT3 ALA 1 28.504 9.588 9.588 2 2H ALA 1 HT2 ALA 1 27.578 10.906 10.906 3 3H ALA 1 HT1 ALA 1 28.926 10.385 10.385 4 HA ALA 1 HA ALA 1 29.857 12.158 12.158 5 1HB ALA 1 HB3 ALA 1 28.021 11.459 11.459 6 2HB ALA 1 HB2 ALA 1 29.206 12.763 12.763 7 3HB ALA 1 HB1 ALA 1 27.863 12.830 12.830 8 H ASP 2 HN ASP 2 29.191 9.704 9.704 9 HA ASP 2 HA ASP 2 32.146 9.374 9.374 10 1HB ASP 2 HB2 ASP 2 30.035 8.474 8.474 11 2HB ASP 2 HB1 ASP 2 31.755 8.771 8.771 12 H LEU 3 HN LEU 3 32.996 7.227 7.227 13 HA LEU 3 HA LEU 3 31.285 5.300 5.300 14 1HB LEU 3 HB2 LEU 3 33.184 3.933 3.933 15 2HB LEU 3 HB1 LEU 3 33.833 5.571 5.571 16 HG LEU 3 HG LEU 3 35.301 4.391 4.391 17 1HD1 LEU 3 HD13 LEU 3 33.275 5.888 5.888 18 2HD1 LEU 3 HD12 LEU 3 34.824 5.326 5.326 19 3HD1 LEU 3 HD11 LEU 3 34.770 6.517 6.517 20 1HD2 LEU 3 HD21 LEU 3 33.148 2.720 2.720 21 2HD2 LEU 3 HD23 LEU 3 34.688 2.573 2.573 22 3HD2 LEU 3 HD22 LEU 3 33.341 3.417 3.417 23 H ALA 4 HN ALA 4 31.310 6.296 6.296 24 HA ALA 4 HA ALA 4 31.351 3.943 3.943 25 1HB ALA 4 HB3 ALA 4 30.305 6.710 6.710 26 2HB ALA 4 HB2 ALA 4 29.441 5.514 5.514 27 3HB ALA 4 HB1 ALA 4 31.176 5.748 5.748 28 H ASN 5 HN ASN 5 28.895 5.624 5.624 29 HA ASN 5 HA ASN 5 26.606 4.097 4.097 30 1HB ASN 5 HB2 ASN 5 27.420 6.081 6.081 31 2HB ASN 5 HB1 ASN 5 26.932 4.745 4.745 32 1HD2 ASN 5 HD22 ASN 5 23.753 6.464 6.464 33 2HD2 ASN 5 HD21 ASN 5 25.155 6.591 6.591 34 H GLY 6 HN GLY 6 29.404 3.432 3.432 35 1HA GLY 6 HA2 GLY 6 28.530 1.202 1.202 36 2HA GLY 6 HA1 GLY 6 30.192 1.447 1.447 37 H ALA 7 HN ALA 7 29.947 1.263 1.263 38 HA ALA 7 HA ALA 7 29.969 -1.472 -1.472 39 1HB ALA 7 HB3 ALA 7 30.181 0.887 0.887 40 2HB ALA 7 HB2 ALA 7 28.928 -0.086 -0.086 41 3HB ALA 7 HB1 ALA 7 30.539 -0.762 -0.762 42 H LYS 8 HN LYS 8 27.218 0.704 0.704 43 HA LYS 8 HA LYS 8 25.336 -1.194 -1.194 44 1HB LYS 8 HB2 LYS 8 24.342 0.885 0.885 45 2HB LYS 8 HB1 LYS 8 25.216 1.394 1.394 46 1HG LYS 8 HG2 LYS 8 23.239 -0.766 -0.766 47 2HG LYS 8 HG1 LYS 8 22.544 0.772 0.772 48 1HD LYS 8 HD2 LYS 8 24.348 0.276 0.276 49 2HD LYS 8 HD1 LYS 8 22.663 0.792 0.792 50 1HE LYS 8 HE2 LYS 8 24.082 2.620 2.620 51 2HE LYS 8 HE1 LYS 8 25.017 2.405 2.405 52 1HZ LYS 8 HZ1 LYS 8 22.663 2.634 2.634 53 2HZ LYS 8 HZ3 LYS 8 22.302 3.453 3.453 54 3HZ LYS 8 HZ2 LYS 8 23.552 4.015 4.015 55 H VAL 9 HN VAL 9 26.464 -0.292 -0.292 56 HA VAL 9 HA VAL 9 24.898 -2.127 -2.127 57 HB VAL 9 HB VAL 9 27.711 -1.193 -1.193 58 1HG1 VAL 9 HG12 VAL 9 26.602 -2.979 -2.979 59 2HG1 VAL 9 HG11 VAL 9 25.375 -1.782 -1.782 60 3HG1 VAL 9 HG13 VAL 9 27.058 -1.515 -1.515 61 1HG2 VAL 9 HG22 VAL 9 25.071 0.207 0.207 62 2HG2 VAL 9 HG21 VAL 9 26.340 0.738 0.738 63 3HG2 VAL 9 HG23 VAL 9 26.626 0.740 0.740 64 H PHE 10 HN PHE 10 28.407 -2.415 -2.415 65 HA PHE 10 HA PHE 10 28.671 -5.104 -5.104 66 1HB PHE 10 HB2 PHE 10 30.573 -3.579 -3.579 67 2HB PHE 10 HB1 PHE 10 30.200 -3.523 -3.523 68 HD1 PHE 10 HD1 PHE 10 30.109 -5.691 -5.691 69 HD2 PHE 10 HD2 PHE 10 31.921 -5.362 -5.362 70 HE1 PHE 10 HE1 PHE 10 31.315 -7.783 -7.783 71 HE2 PHE 10 HE2 PHE 10 33.139 -7.483 -7.483 72 HZ PHE 10 HZ PHE 10 32.845 -8.700 -8.700 73 H SER 11 HN SER 11 27.406 -3.700 -3.700 74 HA SER 11 HA SER 11 27.525 -6.295 -6.295 75 1HB SER 11 HB2 SER 11 27.993 -4.117 -4.117 76 2HB SER 11 HB1 SER 11 26.296 -3.696 -3.696 77 HG SER 11 HG SER 11 27.451 -5.448 -5.448 78 H GLY 12 HN GLY 12 25.901 -5.946 -5.946 79 1HA GLY 12 HA2 GLY 12 23.421 -7.030 -7.030 80 2HA GLY 12 HA1 GLY 12 23.223 -5.501 -5.501 81 H ASN 13 HN ASN 13 25.471 -6.263 -6.263 82 HA ASN 13 HA ASN 13 24.025 -8.371 -8.371 83 1HB ASN 13 HB2 ASN 13 25.430 -6.113 -6.113 84 2HB ASN 13 HB1 ASN 13 24.061 -7.077 -7.077 85 1HD2 ASN 13 HD22 ASN 13 23.423 -3.730 -3.730 86 2HD2 ASN 13 HD21 ASN 13 25.005 -4.304 -4.304 87 H CYS 14 HN CYS 14 27.055 -6.559 -6.559 88 HA CYS 14 HA CYS 14 28.642 -8.520 -8.520 89 1HB CYS 14 HB2 CYS 14 29.756 -6.472 -6.472 90 2HB CYS 14 HB1 CYS 14 30.439 -7.053 -7.053 91 H ALA 15 HN ALA 15 27.678 -8.073 -8.073 92 HA ALA 15 HA ALA 15 29.716 -9.549 -9.549 93 1HB ALA 15 HB3 ALA 15 26.770 -9.234 -9.234 94 2HB ALA 15 HB2 ALA 15 27.907 -10.037 -10.037 95 3HB ALA 15 HB1 ALA 15 28.115 -8.329 -8.329 96 H ALA 16 HN ALA 16 26.831 -10.615 -10.615 97 HA ALA 16 HA ALA 16 26.823 -13.338 -13.338 98 1HB ALA 16 HB3 ALA 16 25.670 -11.758 -11.758 99 2HB ALA 16 HB2 ALA 16 25.862 -13.480 -13.480 100 3HB ALA 16 HB1 ALA 16 24.907 -12.947 -12.947 101 H CYS 17 HN CYS 17 28.554 -11.796 -11.796 102 HA CYS 17 HA CYS 17 29.891 -14.425 -14.425 103 1HB CYS 17 HB2 CYS 17 28.743 -12.575 -12.575 104 2HB CYS 17 HB1 CYS 17 30.486 -12.406 -12.406 105 H HIS 18 HN HIS 18 30.541 -12.380 -12.380 106 HA HIS 18 HA HIS 18 33.431 -12.368 -12.368 107 1HB HIS 18 HB2 HIS 18 31.852 -9.778 -9.778 108 2HB HIS 18 HB1 HIS 18 33.598 -9.884 -9.884 109 HD1 HIS 18 HD1 HIS 18 35.023 -10.505 -10.505 110 HD2 HIS 18 HD2 HIS 18 30.972 -10.131 -10.131 111 HE1 HIS 18 HE1 HIS 18 34.845 -10.474 -10.474 112 H MET 19 HN MET 19 30.912 -10.791 -10.791 113 HA MET 19 HA MET 19 30.849 -10.356 -10.356 114 1HB MET 19 HB2 MET 19 31.323 -12.687 -12.687 115 2HB MET 19 HB1 MET 19 29.848 -12.399 -12.399 116 1HG MET 19 HG2 MET 19 30.922 -13.412 -13.412 117 2HG MET 19 HG1 MET 19 32.369 -13.737 -13.737 118 1HE MET 19 HE3 MET 19 28.763 -13.766 -13.766 119 2HE MET 19 HE2 MET 19 28.551 -15.429 -15.429 120 3HE MET 19 HE1 MET 19 28.196 -14.997 -14.997 121 H GLY 20 HN GLY 20 32.498 -9.002 -9.002 122 1HA GLY 20 HA2 GLY 20 34.470 -8.409 -8.409 123 2HA GLY 20 HA1 GLY 20 34.646 -10.109 -10.109 124 H GLY 21 HN GLY 21 34.653 -8.364 -8.364 125 1HA GLY 21 HA2 GLY 21 36.049 -8.691 -8.691 126 2HA GLY 21 HA1 GLY 21 37.315 -8.380 -8.380 127 H GLY 22 HN GLY 22 35.094 -11.088 -11.088 128 1HA GLY 22 HA2 GLY 22 37.436 -12.854 -12.854 129 2HA GLY 22 HA1 GLY 22 36.308 -13.276 -13.276 130 H ASN 23 HN ASN 23 36.666 -12.935 -12.935 131 HA ASN 23 HA ASN 23 34.066 -13.516 -13.516 132 1HB ASN 23 HB2 ASN 23 36.498 -13.255 -13.255 133 2HB ASN 23 HB1 ASN 23 36.199 -14.983 -14.983 134 1HD2 ASN 23 HD22 ASN 23 34.466 -12.714 -12.714 135 2HD2 ASN 23 HD21 ASN 23 35.997 -12.513 -12.513 136 H VAL 24 HN VAL 24 33.128 -15.608 -15.608 137 HA VAL 24 HA VAL 24 34.134 -17.893 -17.893 138 HB VAL 24 HB VAL 24 31.830 -18.577 -18.577 139 1HG1 VAL 24 HG11 VAL 24 32.975 -16.129 -16.129 140 2HG1 VAL 24 HG13 VAL 24 31.240 -15.875 -15.875 141 3HG1 VAL 24 HG12 VAL 24 31.830 -17.177 -17.177 142 1HG2 VAL 24 HG21 VAL 24 31.357 -16.747 -16.747 143 2HG2 VAL 24 HG23 VAL 24 30.317 -18.023 -18.023 144 3HG2 VAL 24 HG22 VAL 24 30.279 -16.412 -16.412 145 H VAL 25 HN VAL 25 33.399 -16.755 -16.755 146 HA VAL 25 HA VAL 25 32.924 -19.496 -19.496 147 HB VAL 25 HB VAL 25 32.881 -16.870 -16.870 148 1HG1 VAL 25 HG11 VAL 25 32.681 -19.632 -19.632 149 2HG1 VAL 25 HG13 VAL 25 31.118 -18.863 -18.863 150 3HG1 VAL 25 HG12 VAL 25 32.570 -18.210 -18.210 151 1HG2 VAL 25 HG23 VAL 25 30.719 -18.328 -18.328 152 2HG2 VAL 25 HG22 VAL 25 31.181 -16.630 -16.630 153 3HG2 VAL 25 HG21 VAL 25 30.338 -17.217 -17.217 154 H MET 26 HN MET 26 34.865 -16.649 -16.649 155 HA MET 26 HA MET 26 36.699 -17.984 -17.984 156 1HB MET 26 HB2 MET 26 38.309 -16.129 -16.129 157 2HB MET 26 HB1 MET 26 36.741 -15.587 -15.587 158 1HG MET 26 HG2 MET 26 36.851 -14.312 -14.312 159 2HG MET 26 HG1 MET 26 36.104 -15.761 -15.761 160 1HE MET 26 HE1 MET 26 36.633 -16.999 -16.999 161 2HE MET 26 HE3 MET 26 38.214 -17.769 -17.769 162 3HE MET 26 HE2 MET 26 37.697 -16.513 -16.513 163 H ALA 27 HN ALA 27 39.239 -17.872 -17.872 164 HA ALA 27 HA ALA 27 39.287 -19.626 -19.626 165 1HB ALA 27 HB3 ALA 27 39.913 -20.545 -20.545 166 2HB ALA 27 HB2 ALA 27 41.445 -19.734 -19.734 167 3HB ALA 27 HB1 ALA 27 40.873 -21.004 -21.004 168 H ASN 28 HN ASN 28 40.244 -16.668 -16.668 169 HA ASN 28 HA ASN 28 41.985 -16.188 -16.188 170 1HB ASN 28 HB2 ASN 28 43.923 -15.534 -15.534 171 2HB ASN 28 HB1 ASN 28 43.435 -17.091 -17.091 172 1HD2 ASN 28 HD22 ASN 28 42.092 -15.519 -15.519 173 2HD2 ASN 28 HD21 ASN 28 41.675 -16.732 -16.732 174 H LYS 29 HN LYS 29 40.454 -14.957 -14.957 175 HA LYS 29 HA LYS 29 40.765 -12.213 -12.213 176 1HB LYS 29 HB2 LYS 29 38.971 -13.951 -13.951 177 2HB LYS 29 HB1 LYS 29 37.987 -12.736 -12.736 178 1HG LYS 29 HG2 LYS 29 38.518 -11.756 -11.756 179 2HG LYS 29 HG1 LYS 29 39.647 -11.011 -11.011 180 1HD LYS 29 HD2 LYS 29 41.433 -12.451 -12.451 181 2HD LYS 29 HD1 LYS 29 40.330 -13.483 -13.483 182 1HE LYS 29 HE2 LYS 29 39.774 -11.262 -11.262 183 2HE LYS 29 HE1 LYS 29 41.330 -10.727 -10.727 184 1HZ LYS 29 HZ1 LYS 29 41.093 -13.350 -13.350 185 2HZ LYS 29 HZ3 LYS 29 41.239 -11.944 -11.944 186 3HZ LYS 29 HZ2 LYS 29 42.459 -12.355 -12.355 187 H THR 30 HN THR 30 40.912 -11.619 -11.619 188 HA THR 30 HA THR 30 38.312 -11.699 -11.699 189 HB THR 30 HB THR 30 41.042 -11.394 -11.394 190 HG1 THR 30 HG1 THR 30 39.549 -13.756 -13.756 191 1HG2 THR 30 HG22 THR 30 38.273 -11.513 -11.513 192 2HG2 THR 30 HG21 THR 30 39.279 -12.728 -12.728 193 3HG2 THR 30 HG23 THR 30 39.718 -11.023 -11.023 194 H LEU 31 HN LEU 31 37.733 -9.744 -9.744 195 HA LEU 31 HA LEU 31 38.674 -7.324 -7.324 196 1HB LEU 31 HB2 LEU 31 36.940 -7.283 -7.283 197 2HB LEU 31 HB1 LEU 31 36.918 -6.215 -6.215 198 HG LEU 31 HG LEU 31 35.723 -8.954 -8.954 199 1HD1 LEU 31 HD13 LEU 31 34.616 -6.522 -6.522 200 2HD1 LEU 31 HD12 LEU 31 34.706 -6.792 -6.792 201 3HD1 LEU 31 HD11 LEU 31 33.810 -7.917 -7.917 202 1HD2 LEU 31 HD23 LEU 31 37.166 -7.933 -7.933 203 2HD2 LEU 31 HD22 LEU 31 36.812 -9.594 -9.594 204 3HD2 LEU 31 HD21 LEU 31 35.565 -8.611 -8.611 205 H LYS 32 HN LYS 32 39.786 -9.144 -9.144 206 HA LYS 32 HA LYS 32 40.491 -7.287 -7.287 207 1HB LYS 32 HB2 LYS 32 41.827 -9.783 -9.783 208 2HB LYS 32 HB1 LYS 32 42.620 -8.799 -8.799 209 1HG LYS 32 HG2 LYS 32 40.982 -9.219 -9.219 210 2HG LYS 32 HG1 LYS 32 39.732 -9.499 -9.499 211 1HD LYS 32 HD2 LYS 32 40.183 -11.663 -11.663 212 2HD LYS 32 HD1 LYS 32 41.153 -11.573 -11.573 213 1HE LYS 32 HE2 LYS 32 42.762 -10.490 -10.490 214 2HE LYS 32 HE1 LYS 32 42.030 -11.946 -11.946 215 1HZ LYS 32 HZ2 LYS 32 42.984 -12.222 -12.222 216 2HZ LYS 32 HZ1 LYS 32 44.205 -11.925 -11.925 217 3HZ LYS 32 HZ3 LYS 32 43.175 -13.259 -13.259 218 H LYS 33 HN LYS 33 42.642 -6.269 -6.269 219 HA LYS 33 HA LYS 33 43.458 -4.650 -4.650 220 1HB LYS 33 HB2 LYS 33 43.672 -3.605 -3.605 221 2HB LYS 33 HB1 LYS 33 44.443 -5.015 -5.015 222 1HG LYS 33 HG2 LYS 33 46.072 -3.190 -3.190 223 2HG LYS 33 HG1 LYS 33 46.453 -4.638 -4.638 224 1HD LYS 33 HD2 LYS 33 46.528 -3.205 -3.205 225 2HD LYS 33 HD1 LYS 33 44.768 -3.307 -3.307 226 1HE LYS 33 HE2 LYS 33 45.330 -0.967 -0.967 227 2HE LYS 33 HE1 LYS 33 44.823 -1.368 -1.368 228 1HZ LYS 33 HZ1 LYS 33 47.312 -1.817 -1.817 229 2HZ LYS 33 HZ3 LYS 33 47.542 -0.885 -0.885 230 3HZ LYS 33 HZ2 LYS 33 46.774 -0.205 -0.205 231 H GLU 34 HN GLU 34 44.650 -7.649 -7.649 232 HA GLU 34 HA GLU 34 47.216 -7.466 -7.466 233 1HB GLU 34 HB2 GLU 34 45.823 -9.388 -9.388 234 2HB GLU 34 HB1 GLU 34 46.993 -10.090 -10.090 235 1HG GLU 34 HG2 GLU 34 48.119 -7.703 -7.703 236 2HG GLU 34 HG1 GLU 34 47.512 -8.717 -8.717 237 H ALA 35 HN ALA 35 44.530 -9.791 -9.791 238 HA ALA 35 HA ALA 35 45.529 -10.697 -10.697 239 1HB ALA 35 HB3 ALA 35 43.320 -11.341 -11.341 240 2HB ALA 35 HB2 ALA 35 42.847 -11.417 -11.417 241 3HB ALA 35 HB1 ALA 35 44.200 -12.387 -12.387 242 H LEU 36 HN LEU 36 43.041 -8.279 -8.279 243 HA LEU 36 HA LEU 36 42.077 -8.075 -8.075 244 1HB LEU 36 HB2 LEU 36 40.746 -6.383 -6.383 245 2HB LEU 36 HB1 LEU 36 41.157 -7.065 -7.065 246 HG LEU 36 HG LEU 36 43.140 -5.431 -5.431 247 1HD1 LEU 36 HD13 LEU 36 41.782 -4.815 -4.815 248 2HD1 LEU 36 HD12 LEU 36 41.956 -3.385 -3.385 249 3HD1 LEU 36 HD11 LEU 36 43.380 -4.324 -4.324 250 1HD2 LEU 36 HD23 LEU 36 40.234 -4.825 -4.825 251 2HD2 LEU 36 HD22 LEU 36 41.484 -4.895 -4.895 252 3HD2 LEU 36 HD21 LEU 36 41.379 -3.496 -3.496 253 H GLU 37 HN GLU 37 44.635 -6.381 -6.381 254 HA GLU 37 HA GLU 37 45.421 -4.985 -4.985 255 1HB GLU 37 HB2 GLU 37 45.836 -4.593 -4.593 256 2HB GLU 37 HB1 GLU 37 47.357 -4.496 -4.496 257 1HG GLU 37 HG2 GLU 37 45.559 -3.122 -3.122 258 2HG GLU 37 HG1 GLU 37 45.092 -2.645 -2.645 259 H GLN 38 HN GLN 38 45.717 -8.018 -8.018 260 HA GLN 38 HA GLN 38 48.593 -8.415 -8.415 261 1HB GLN 38 HB2 GLN 38 47.598 -10.139 -10.139 262 2HB GLN 38 HB1 GLN 38 46.160 -10.165 -10.165 263 1HG GLN 38 HG2 GLN 38 47.693 -12.144 -12.144 264 2HG GLN 38 HG1 GLN 38 47.362 -11.241 -11.241 265 1HE2 GLN 38 HE22 GLN 38 50.908 -9.992 -9.992 266 2HE2 GLN 38 HE21 GLN 38 49.461 -9.808 -9.808 267 H PHE 39 HN PHE 39 45.717 -9.011 -9.011 268 HA PHE 39 HA PHE 39 47.351 -9.490 -9.490 269 1HB PHE 39 HB2 PHE 39 44.791 -9.404 -9.404 270 2HB PHE 39 HB1 PHE 39 45.602 -10.850 -10.850 271 HD1 PHE 39 HD1 PHE 39 43.554 -7.971 -7.971 272 HD2 PHE 39 HD2 PHE 39 44.667 -12.112 -12.112 273 HE1 PHE 39 HE1 PHE 39 41.865 -8.276 -8.276 274 HE2 PHE 39 HE2 PHE 39 42.967 -12.403 -12.403 275 HZ PHE 39 HZ PHE 39 41.563 -10.485 -10.485 276 H GLY 40 HN GLY 40 45.040 -7.050 -7.050 277 1HA GLY 40 HA2 GLY 40 45.833 -4.702 -4.702 278 2HA GLY 40 HA1 GLY 40 45.966 -5.345 -5.345 279 H MET 41 HN MET 41 43.661 -4.566 -4.566 280 HA MET 41 HA MET 41 41.694 -3.721 -3.721 281 1HB MET 41 HB2 MET 41 39.889 -5.187 -5.187 282 2HB MET 41 HB1 MET 41 41.144 -6.084 -6.084 283 1HG MET 41 HG2 MET 41 41.259 -7.330 -7.330 284 2HG MET 41 HG1 MET 41 42.157 -5.973 -5.973 285 1HE MET 41 HE2 MET 41 40.028 -8.397 -8.397 286 2HE MET 41 HE1 MET 41 40.250 -7.917 -7.917 287 3HE MET 41 HE3 MET 41 38.634 -7.930 -7.930 288 H TYR 42 HN TYR 42 43.294 -2.804 -2.804 289 HA TYR 42 HA TYR 42 41.336 -2.176 -2.176 290 1HB TYR 42 HB2 TYR 42 43.776 -2.678 -2.678 291 2HB TYR 42 HB1 TYR 42 44.164 -1.155 -1.155 292 HD1 TYR 42 HD1 TYR 42 43.471 1.018 1.018 293 HD2 TYR 42 HD2 TYR 42 42.949 -2.715 -2.715 294 HE1 TYR 42 HE1 TYR 42 43.158 2.235 2.235 295 HE2 TYR 42 HE2 TYR 42 42.635 -1.495 -1.495 296 HH TYR 42 HH TYR 42 43.239 1.927 1.927 297 H SER 43 HN SER 43 41.336 -1.113 -1.113 298 HA SER 43 HA SER 43 41.291 1.785 1.785 299 1HB SER 43 HB2 SER 43 42.244 0.329 0.329 300 2HB SER 43 HB1 SER 43 40.849 1.252 1.252 301 HG SER 43 HG SER 43 41.835 3.087 3.087 302 H GLU 44 HN GLU 44 39.420 2.918 2.918 303 HA GLU 44 HA GLU 44 36.880 1.841 1.841 304 1HB GLU 44 HB2 GLU 44 38.008 4.475 4.475 305 2HB GLU 44 HB1 GLU 44 36.421 4.237 4.237 306 1HG GLU 44 HG2 GLU 44 35.372 4.236 4.236 307 2HG GLU 44 HG1 GLU 44 36.632 3.260 3.260 308 H ASP 45 HN ASP 45 38.158 3.290 3.290 309 HA ASP 45 HA ASP 45 36.106 2.549 2.549 310 1HB ASP 45 HB2 ASP 45 38.042 3.897 3.897 311 2HB ASP 45 HB1 ASP 45 39.026 2.440 2.440 312 H ALA 46 HN ALA 46 38.755 0.496 0.496 313 HA ALA 46 HA ALA 46 38.267 -1.746 -1.746 314 1HB ALA 46 HB2 ALA 46 39.336 -1.656 -1.656 315 2HB ALA 46 HB1 ALA 46 39.431 -3.055 -3.055 316 3HB ALA 46 HB3 ALA 46 40.293 -1.574 -1.574 317 H ILE 47 HN ILE 47 37.507 -1.759 -1.759 318 HA ILE 47 HA ILE 47 35.528 -3.812 -3.812 319 HB ILE 47 HB ILE 47 36.797 -3.225 -3.225 320 1HG1 ILE 47 HG12 ILE 47 33.780 -3.140 -3.140 321 2HG1 ILE 47 HG11 ILE 47 34.785 -4.586 -4.586 322 1HG2 ILE 47 HG23 ILE 47 35.643 -0.668 -0.668 323 2HG2 ILE 47 HG22 ILE 47 35.059 -1.246 -1.246 324 3HG2 ILE 47 HG21 ILE 47 36.792 -1.117 -1.117 325 1HD1 ILE 47 HD13 ILE 47 36.008 -3.416 -3.416 326 2HD1 ILE 47 HD12 ILE 47 34.559 -2.418 -2.418 327 3HD1 ILE 47 HD11 ILE 47 34.439 -4.158 -4.158 328 H ILE 48 HN ILE 48 35.394 -0.568 -0.568 329 HA ILE 48 HA ILE 48 32.568 -0.130 -0.130 330 HB ILE 48 HB ILE 48 34.706 1.407 1.407 331 1HG1 ILE 48 HG12 ILE 48 32.776 2.131 2.131 332 2HG1 ILE 48 HG11 ILE 48 34.441 1.606 1.606 333 1HG2 ILE 48 HG23 ILE 48 31.852 1.475 1.475 334 2HG2 ILE 48 HG22 ILE 48 32.451 3.031 3.031 335 3HG2 ILE 48 HG21 ILE 48 33.184 2.273 2.273 336 1HD1 ILE 48 HD12 ILE 48 33.590 4.042 4.042 337 2HD1 ILE 48 HD11 ILE 48 34.249 4.078 4.078 338 3HD1 ILE 48 HD13 ILE 48 35.251 3.527 3.527 339 H TYR 49 HN TYR 49 34.551 -1.136 -1.136 340 HA TYR 49 HA TYR 49 32.171 -1.401 -1.401 341 1HB TYR 49 HB2 TYR 49 34.253 -0.577 -0.577 342 2HB TYR 49 HB1 TYR 49 35.097 -2.036 -2.036 343 HD1 TYR 49 HD1 TYR 49 34.424 -4.268 -4.268 344 HD2 TYR 49 HD2 TYR 49 32.797 -0.592 -0.592 345 HE1 TYR 49 HE1 TYR 49 33.601 -5.459 -5.459 346 HE2 TYR 49 HE2 TYR 49 31.976 -1.783 -1.783 347 HH TYR 49 HH TYR 49 31.863 -3.717 -3.717 348 H GLN 50 HN GLN 50 33.982 -3.193 -3.193 349 HA GLN 50 HA GLN 50 33.250 -5.807 -5.807 350 1HB GLN 50 HB2 GLN 50 35.330 -6.089 -6.089 351 2HB GLN 50 HB1 GLN 50 35.094 -4.807 -4.807 352 1HG GLN 50 HG2 GLN 50 34.972 -6.512 -6.512 353 2HG GLN 50 HG1 GLN 50 33.330 -6.719 -6.719 354 1HE2 GLN 50 HE22 GLN 50 34.673 -10.061 -10.061 355 2HE2 GLN 50 HE21 GLN 50 33.982 -9.082 -9.082 356 H VAL 51 HN VAL 51 32.051 -3.454 -3.454 357 HA VAL 51 HA VAL 51 30.287 -5.372 -5.372 358 HB VAL 51 HB VAL 51 30.681 -2.379 -2.379 359 1HG1 VAL 51 HG12 VAL 51 28.738 -4.270 -4.270 360 2HG1 VAL 51 HG11 VAL 51 29.250 -2.782 -2.782 361 3HG1 VAL 51 HG13 VAL 51 28.413 -2.709 -2.709 362 1HG2 VAL 51 HG22 VAL 51 32.383 -4.177 -4.177 363 2HG2 VAL 51 HG21 VAL 51 31.903 -2.839 -2.839 364 3HG2 VAL 51 HG23 VAL 51 31.165 -4.426 -4.426 365 H GLN 52 HN GLN 52 30.074 -2.515 -2.515 366 HA GLN 52 HA GLN 52 27.244 -2.406 -2.406 367 1HB GLN 52 HB2 GLN 52 29.532 -1.168 -1.168 368 2HB GLN 52 HB1 GLN 52 28.335 -1.537 -1.537 369 1HG GLN 52 HG2 GLN 52 26.742 -0.136 -0.136 370 2HG GLN 52 HG1 GLN 52 27.364 -0.340 -0.340 371 1HE2 GLN 52 HE22 GLN 52 30.067 2.081 2.081 372 2HE2 GLN 52 HE21 GLN 52 29.885 0.516 0.516 373 H HIS 53 HN HIS 53 29.386 -4.747 -4.747 374 HA HIS 53 HA HIS 53 27.238 -5.908 -5.908 375 1HB HIS 53 HB2 HIS 53 29.766 -5.964 -5.964 376 2HB HIS 53 HB1 HIS 53 28.165 -5.693 -5.693 377 HD1 HIS 53 HD1 HIS 53 28.130 -3.461 -3.461 378 HD2 HIS 53 HD2 HIS 53 30.401 -3.375 -3.375 379 HE1 HIS 53 HE1 HIS 53 28.941 -1.076 -1.076 380 H GLY 54 HN GLY 54 28.995 -6.346 -6.346 381 1HA GLY 54 HA2 GLY 54 30.154 -8.154 -8.154 382 2HA GLY 54 HA1 GLY 54 29.271 -9.134 -9.134 383 H LYS 55 HN LYS 55 30.748 -10.325 -10.325 384 HA LYS 55 HA LYS 55 32.364 -9.756 -9.756 385 1HB LYS 55 HB2 LYS 55 33.554 -8.631 -8.631 386 2HB LYS 55 HB1 LYS 55 34.632 -9.757 -9.757 387 1HG LYS 55 HG2 LYS 55 34.539 -7.170 -7.170 388 2HG LYS 55 HG1 LYS 55 34.876 -8.453 -8.453 389 1HD LYS 55 HD2 LYS 55 32.002 -7.945 -7.945 390 2HD LYS 55 HD1 LYS 55 32.890 -6.531 -6.531 391 1HE LYS 55 HE2 LYS 55 33.365 -7.471 -7.471 392 2HE LYS 55 HE1 LYS 55 33.674 -9.057 -9.057 393 1HZ LYS 55 HZ3 LYS 55 30.920 -8.159 -8.159 394 2HZ LYS 55 HZ2 LYS 55 31.524 -8.473 -8.473 395 3HZ LYS 55 HZ1 LYS 55 31.553 -9.690 -9.690 396 H ASN 56 HN ASN 56 33.203 -11.613 -11.613 397 HA ASN 56 HA ASN 56 33.657 -13.897 -13.897 398 1HB ASN 56 HB2 ASN 56 34.804 -13.243 -13.243 399 2HB ASN 56 HB1 ASN 56 35.072 -14.768 -14.768 400 1HD2 ASN 56 HD22 ASN 56 36.738 -11.349 -11.349 401 2HD2 ASN 56 HD21 ASN 56 35.301 -11.223 -11.223 402 H ALA 57 HN ALA 57 33.267 -13.968 -13.968 403 HA ALA 57 HA ALA 57 30.663 -15.383 -15.383 404 1HB ALA 57 HB2 ALA 57 33.068 -16.486 -16.486 405 2HB ALA 57 HB1 ALA 57 32.077 -16.229 -16.229 406 3HB ALA 57 HB3 ALA 57 31.462 -17.208 -17.208 407 H MET 58 HN MET 58 30.423 -12.754 -12.754 408 HA MET 58 HA MET 58 29.532 -12.687 -12.687 409 1HB MET 58 HB2 MET 58 31.583 -11.612 -11.612 410 2HB MET 58 HB1 MET 58 31.481 -10.765 -10.765 411 1HG MET 58 HG2 MET 58 29.470 -9.519 -9.519 412 2HG MET 58 HG1 MET 58 29.938 -10.216 -10.216 413 1HE MET 58 HE3 MET 58 30.051 -8.038 -8.038 414 2HE MET 58 HE2 MET 58 31.119 -6.697 -6.697 415 3HE MET 58 HE1 MET 58 29.745 -7.072 -7.072 416 HA PRO 59 HA PRO 59 25.969 -10.976 -10.976 417 1HB PRO 59 HB2 PRO 59 24.799 -9.998 -9.998 418 2HB PRO 59 HB1 PRO 59 24.774 -11.699 -11.699 419 1HG PRO 59 HG2 PRO 59 26.378 -10.339 -10.339 420 2HG PRO 59 HG1 PRO 59 25.859 -12.026 -12.026 421 1HD PRO 59 HD2 PRO 59 28.431 -11.073 -11.073 422 2HD PRO 59 HD1 PRO 59 27.802 -12.662 -12.662 423 H ALA 60 HN ALA 60 25.981 -9.151 -9.151 424 HA ALA 60 HA ALA 60 27.160 -6.688 -6.688 425 1HB ALA 60 HB2 ALA 60 25.906 -7.382 -7.382 426 2HB ALA 60 HB1 ALA 60 24.396 -7.226 -7.226 427 3HB ALA 60 HB3 ALA 60 25.374 -5.797 -5.797 428 H PHE 61 HN PHE 61 26.161 -4.575 -4.575 429 HA PHE 61 HA PHE 61 24.002 -4.744 -4.744 430 1HB PHE 61 HB2 PHE 61 26.780 -3.782 -3.782 431 2HB PHE 61 HB1 PHE 61 25.399 -3.159 -3.159 432 HD1 PHE 61 HD1 PHE 61 24.005 -4.654 -4.654 433 HD2 PHE 61 HD2 PHE 61 27.503 -6.075 -6.075 434 HE1 PHE 61 HE1 PHE 61 23.981 -6.707 -6.707 435 HE2 PHE 61 HE2 PHE 61 27.481 -8.121 -8.121 436 HZ PHE 61 HZ PHE 61 25.745 -8.423 -8.423 437 H ALA 62 HN ALA 62 24.891 -3.499 -3.499 438 HA ALA 62 HA ALA 62 24.954 -0.743 -0.743 439 1HB ALA 62 HB2 ALA 62 24.730 -2.418 -2.418 440 2HB ALA 62 HB1 ALA 62 23.003 -2.101 -2.101 441 3HB ALA 62 HB3 ALA 62 24.113 -0.775 -0.775 442 H GLY 63 HN GLY 63 22.311 -2.833 -2.833 443 1HA GLY 63 HA2 GLY 63 20.914 -0.477 -0.477 444 2HA GLY 63 HA1 GLY 63 20.011 -1.420 -1.420 445 H ARG 64 HN ARG 64 22.283 -2.723 -2.723 446 HA ARG 64 HA ARG 64 20.033 -4.294 -4.294 447 1HB ARG 64 HB2 ARG 64 22.958 -4.722 -4.722 448 2HB ARG 64 HB1 ARG 64 22.231 -5.373 -5.373 449 1HG ARG 64 HG2 ARG 64 21.125 -5.879 -5.879 450 2HG ARG 64 HG1 ARG 64 22.248 -6.970 -6.970 451 1HD ARG 64 HD2 ARG 64 20.537 -6.778 -6.778 452 2HD ARG 64 HD1 ARG 64 19.417 -6.288 -6.288 453 HE ARG 64 HE ARG 64 19.596 -8.494 -8.494 454 1HH1 ARG 64 HH11 ARG 64 22.151 -8.000 -8.000 455 2HH1 ARG 64 HH12 ARG 64 22.236 -9.653 -9.653 456 1HH2 ARG 64 HH21 ARG 64 19.449 -10.630 -10.630 457 2HH2 ARG 64 HH22 ARG 64 20.706 -11.143 -11.143 458 H LEU 65 HN LEU 65 23.002 -2.534 -2.534 459 HA LEU 65 HA LEU 65 22.101 -2.032 -2.032 460 1HB LEU 65 HB2 LEU 65 24.489 -0.699 -0.699 461 2HB LEU 65 HB1 LEU 65 24.254 -1.230 -1.230 462 HG LEU 65 HG LEU 65 24.658 -3.030 -3.030 463 1HD1 LEU 65 HD11 LEU 65 26.466 -1.730 -1.730 464 2HD1 LEU 65 HD13 LEU 65 26.608 -3.484 -3.484 465 3HD1 LEU 65 HD12 LEU 65 26.842 -2.667 -2.667 466 1HD2 LEU 65 HD23 LEU 65 23.802 -3.494 -3.494 467 2HD2 LEU 65 HD22 LEU 65 23.419 -4.417 -4.417 468 3HD2 LEU 65 HD21 LEU 65 24.981 -4.625 -4.625 469 H THR 66 HN THR 66 23.195 0.534 0.534 470 HA THR 66 HA THR 66 21.059 2.124 2.124 471 HB THR 66 HB THR 66 22.918 3.073 3.073 472 HG1 THR 66 HG1 THR 66 20.718 1.346 1.346 473 1HG2 THR 66 HG23 THR 66 20.566 4.048 4.048 474 2HG2 THR 66 HG22 THR 66 20.357 4.073 4.073 475 3HG2 THR 66 HG21 THR 66 21.711 4.927 4.927 476 H ASP 67 HN ASP 67 22.022 4.582 4.582 477 HA ASP 67 HA ASP 67 24.059 4.291 4.291 478 1HB ASP 67 HB2 ASP 67 22.828 6.799 6.799 479 2HB ASP 67 HB1 ASP 67 23.800 6.725 6.725 480 H GLU 68 HN GLU 68 23.882 6.252 6.252 481 HA GLU 68 HA GLU 68 26.697 6.828 6.828 482 1HB GLU 68 HB2 GLU 68 25.033 8.177 8.177 483 2HB GLU 68 HB1 GLU 68 24.570 6.773 6.773 484 1HG GLU 68 HG2 GLU 68 26.497 6.852 6.852 485 2HG GLU 68 HG1 GLU 68 27.456 7.555 7.555 486 H GLN 69 HN GLN 69 25.023 3.987 3.987 487 HA GLN 69 HA GLN 69 26.847 2.815 2.815 488 1HB GLN 69 HB2 GLN 69 24.311 1.990 1.990 489 2HB GLN 69 HB1 GLN 69 25.259 0.798 0.798 490 1HG GLN 69 HG2 GLN 69 23.373 1.865 1.865 491 2HG GLN 69 HG1 GLN 69 24.957 2.048 2.048 492 1HE2 GLN 69 HE22 GLN 69 25.198 5.497 5.497 493 2HE2 GLN 69 HE21 GLN 69 26.120 4.103 4.103 494 H ILE 70 HN ILE 70 25.942 2.650 2.650 495 HA ILE 70 HA ILE 70 27.644 0.390 0.390 496 HB ILE 70 HB ILE 70 26.330 2.600 2.600 497 1HG1 ILE 70 HG12 ILE 70 24.952 0.695 0.695 498 2HG1 ILE 70 HG11 ILE 70 25.229 0.631 0.631 499 1HG2 ILE 70 HG23 ILE 70 28.555 0.781 0.781 500 2HG2 ILE 70 HG22 ILE 70 27.262 1.107 1.107 501 3HG2 ILE 70 HG21 ILE 70 28.215 2.438 2.438 502 1HD1 ILE 70 HD11 ILE 70 27.405 -0.735 -0.735 503 2HD1 ILE 70 HD13 ILE 70 26.035 -1.254 -1.254 504 3HD1 ILE 70 HD12 ILE 70 25.998 -1.469 -1.469 505 H GLN 71 HN GLN 71 28.100 3.608 3.608 506 HA GLN 71 HA GLN 71 30.745 3.919 3.919 507 1HB GLN 71 HB2 GLN 71 28.614 5.592 5.592 508 2HB GLN 71 HB1 GLN 71 30.260 6.146 6.146 509 1HG GLN 71 HG2 GLN 71 29.208 7.076 7.076 510 2HG GLN 71 HG1 GLN 71 30.698 6.185 6.185 511 1HE2 GLN 71 HE22 GLN 71 27.206 4.858 4.858 512 2HE2 GLN 71 HE21 GLN 71 27.283 6.295 6.295 513 H ASP 72 HN ASP 72 29.386 4.799 4.799 514 HA ASP 72 HA ASP 72 31.588 4.794 4.794 515 1HB ASP 72 HB2 ASP 72 28.687 4.155 4.155 516 2HB ASP 72 HB1 ASP 72 29.815 4.090 4.090 517 H VAL 73 HN VAL 73 29.578 2.021 2.021 518 HA VAL 73 HA VAL 73 30.791 0.114 0.114 519 HB VAL 73 HB VAL 73 28.591 -0.086 -0.086 520 1HG1 VAL 73 HG13 VAL 73 29.748 0.359 0.359 521 2HG1 VAL 73 HG12 VAL 73 30.507 -1.226 -1.226 522 3HG1 VAL 73 HG11 VAL 73 28.753 -1.098 -1.098 523 1HG2 VAL 73 HG23 VAL 73 30.626 -2.294 -2.294 524 2HG2 VAL 73 HG22 VAL 73 29.278 -1.910 -1.910 525 3HG2 VAL 73 HG21 VAL 73 28.969 -2.603 -2.603 526 H ALA 74 HN ALA 74 31.588 1.181 1.181 527 HA ALA 74 HA ALA 74 33.615 -0.840 -0.840 528 1HB ALA 74 HB3 ALA 74 32.471 1.048 1.048 529 2HB ALA 74 HB2 ALA 74 34.038 1.786 1.786 530 3HB ALA 74 HB1 ALA 74 33.953 0.179 0.179 531 H ALA 75 HN ALA 75 33.847 2.645 2.645 532 HA ALA 75 HA ALA 75 36.567 2.631 2.631 533 1HB ALA 75 HB1 ALA 75 34.221 4.423 4.423 534 2HB ALA 75 HB3 ALA 75 35.367 4.571 4.571 535 3HB ALA 75 HB2 ALA 75 35.911 4.825 4.825 536 H TYR 76 HN TYR 76 33.629 1.486 1.486 537 HA TYR 76 HA TYR 76 34.260 1.553 1.553 538 1HB TYR 76 HB2 TYR 76 31.938 1.106 1.106 539 2HB TYR 76 HB1 TYR 76 32.506 -0.359 -0.359 540 HD1 TYR 76 HD1 TYR 76 32.173 1.243 1.243 541 HD2 TYR 76 HD2 TYR 76 32.779 -2.342 -2.342 542 HE1 TYR 76 HE1 TYR 76 31.866 -0.007 -0.007 543 HE2 TYR 76 HE2 TYR 76 32.481 -3.653 -3.653 544 HH TYR 76 HH TYR 76 31.058 -2.676 -2.676 545 H VAL 77 HN VAL 77 34.824 -0.858 -0.858 546 HA VAL 77 HA VAL 77 36.001 -2.748 -2.748 547 HB VAL 77 HB VAL 77 36.146 -2.435 -2.435 548 1HG1 VAL 77 HG12 VAL 77 37.469 -4.433 -4.433 549 2HG1 VAL 77 HG11 VAL 77 37.089 -4.833 -4.833 550 3HG1 VAL 77 HG13 VAL 77 38.195 -3.508 -3.508 551 1HG2 VAL 77 HG23 VAL 77 34.563 -4.071 -4.071 552 2HG2 VAL 77 HG22 VAL 77 34.027 -3.255 -3.255 553 3HG2 VAL 77 HG21 VAL 77 34.933 -4.765 -4.765 554 H LEU 78 HN LEU 78 37.097 0.053 0.053 555 HA LEU 78 HA LEU 78 39.944 -0.567 -0.567 556 1HB LEU 78 HB2 LEU 78 39.086 2.200 2.200 557 2HB LEU 78 HB1 LEU 78 40.395 1.231 1.231 558 HG LEU 78 HG LEU 78 37.440 1.044 1.044 559 1HD1 LEU 78 HD12 LEU 78 39.919 1.928 1.928 560 2HD1 LEU 78 HD11 LEU 78 38.716 1.076 1.076 561 3HD1 LEU 78 HD13 LEU 78 38.276 2.559 2.559 562 1HD2 LEU 78 HD22 LEU 78 39.416 -1.063 -1.063 563 2HD2 LEU 78 HD21 LEU 78 37.700 -1.161 -1.161 564 3HD2 LEU 78 HD23 LEU 78 38.876 -0.779 -0.779 565 H ASP 79 HN ASP 79 37.425 0.632 0.632 566 HA ASP 79 HA ASP 79 39.162 2.363 2.363 567 1HB ASP 79 HB2 ASP 79 36.636 2.747 2.747 568 2HB ASP 79 HB1 ASP 79 36.325 1.791 1.791 569 H GLN 80 HN GLN 80 37.122 -0.482 -0.482 570 HA GLN 80 HA GLN 80 37.627 -1.106 -1.106 571 1HB GLN 80 HB2 GLN 80 36.792 -2.945 -2.945 572 2HB GLN 80 HB1 GLN 80 36.480 -3.158 -3.158 573 1HG GLN 80 HG2 GLN 80 35.544 -0.624 -0.624 574 2HG GLN 80 HG1 GLN 80 34.673 -2.101 -2.101 575 1HE2 GLN 80 HE22 GLN 80 33.719 -0.387 -0.387 576 2HE2 GLN 80 HE21 GLN 80 34.384 0.396 0.396 577 H ALA 81 HN ALA 81 39.133 -2.059 -2.059 578 HA ALA 81 HA ALA 81 40.736 -4.183 -4.183 579 1HB ALA 81 HB1 ALA 81 41.253 -2.187 -2.187 580 2HB ALA 81 HB3 ALA 81 42.251 -3.608 -3.608 581 3HB ALA 81 HB2 ALA 81 40.562 -3.802 -3.802 582 H ALA 82 HN ALA 82 41.484 -0.727 -0.727 583 HA ALA 82 HA ALA 82 43.917 -1.020 -1.020 584 1HB ALA 82 HB3 ALA 82 42.641 1.206 1.206 585 2HB ALA 82 HB2 ALA 82 43.921 1.562 1.562 586 3HB ALA 82 HB1 ALA 82 44.239 0.488 0.488 587 H LYS 83 HN LYS 83 40.957 -1.176 -1.176 588 HA LYS 83 HA LYS 83 41.466 0.660 0.660 589 1HB LYS 83 HB2 LYS 83 39.766 1.706 1.706 590 2HB LYS 83 HB1 LYS 83 38.822 0.216 0.216 591 1HG LYS 83 HG2 LYS 83 38.160 0.472 0.472 592 2HG LYS 83 HG1 LYS 83 39.570 1.446 1.446 593 1HD LYS 83 HD2 LYS 83 38.480 3.115 3.115 594 2HD LYS 83 HD1 LYS 83 37.007 2.272 2.272 595 1HE LYS 83 HE2 LYS 83 38.964 3.575 3.575 596 2HE LYS 83 HE1 LYS 83 37.435 4.284 4.284 597 1HZ LYS 83 HZ1 LYS 83 37.203 1.585 1.585 598 2HZ LYS 83 HZ3 LYS 83 37.756 2.680 2.680 599 3HZ LYS 83 HZ2 LYS 83 36.280 2.960 2.960 600 H GLY 84 HN GLY 84 41.469 -2.442 -2.442 601 1HA GLY 84 HA2 GLY 84 41.323 -4.225 -4.225 602 2HA GLY 84 HA1 GLY 84 40.566 -3.118 -3.118 603 H TRP 85 HN TRP 85 39.953 -4.776 -4.776 604 HA TRP 85 HA TRP 85 37.259 -4.514 -4.514 605 1HB TRP 85 HB2 TRP 85 39.162 -6.748 -6.748 606 2HB TRP 85 HB1 TRP 85 37.473 -7.230 -7.230 607 HD1 TRP 85 HD1 TRP 85 39.986 -6.256 -6.256 608 HE1 TRP 85 HE1 TRP 85 38.928 -5.326 -5.326 609 HE3 TRP 85 HE3 TRP 85 35.260 -5.447 -5.447 610 HZ2 TRP 85 HZ2 TRP 85 36.400 -4.390 -4.390 611 HZ3 TRP 85 HZ3 TRP 85 33.540 -4.523 -4.523 612 HH2 TRP 85 HH2 TRP 85 34.088 -3.966 -3.966 613 H ALA 86 HN ALA 86 36.285 -4.092 -4.092 614 HA ALA 86 HA ALA 86 35.222 -4.692 -4.692 615 1HB ALA 86 HB1 ALA 86 33.846 -5.702 -5.702 616 2HB ALA 86 HB3 ALA 86 34.522 -7.247 -7.247 617 3HB ALA 86 HB2 ALA 86 33.531 -6.301 -6.301 618 H GLY 87 HN GLY 87 38.036 -5.633 -5.633 619 1HA GLY 87 HA2 GLY 87 38.448 -8.250 -8.250 620 2HA GLY 87 HA1 GLY 87 39.563 -6.917 -6.917 621 HHA HEC 88 HA HEM 88 36.320 -10.540 -10.540 622 HHB HEC 88 HB HEM 88 33.837 -5.832 -5.832 623 HHC HEC 88 HC HEM 88 28.304 -8.986 -8.986 624 HHD HEC 88 HD HEM 88 31.073 -13.930 -13.930 625 1HMA HEC 88 HMA1 HEM 88 36.505 -5.222 -5.222 626 2HMA HEC 88 HMA2 HEM 88 37.450 -6.235 -6.235 627 3HMA HEC 88 HMA3 HEM 88 35.873 -5.513 -5.513 628 1HAA HEC 88 HAA1 HEM 88 38.038 -9.162 -9.162 629 2HAA HEC 88 HAA2 HEM 88 38.178 -7.385 -7.385 630 1HBA HEC 88 HBA1 HEM 88 36.772 -8.724 -8.724 631 2HBA HEC 88 HBA2 HEM 88 36.937 -6.944 -6.944 632 1HMB HEC 88 HMB1 HEM 88 32.531 -4.612 -4.612 633 2HMB HEC 88 HMB2 HEM 88 30.773 -4.289 -4.289 634 3HMB HEC 88 HMB3 HEM 88 31.719 -5.234 -5.234 635 HAB HEC 88 HAB HEM 88 28.655 -5.469 -5.469 636 1HBB HEC 88 HBB1 HEM 88 26.574 -6.429 -6.429 637 2HBB HEC 88 HBB2 HEM 88 27.497 -7.510 -7.510 638 3HBB HEC 88 HBB3 HEM 88 27.420 -7.866 -7.866 639 1HMC HEC 88 HMC1 HEM 88 26.450 -11.680 -11.680 640 2HMC HEC 88 HMC2 HEM 88 27.070 -11.971 -11.971 641 3HMC HEC 88 HMC3 HEM 88 26.955 -10.280 -10.280 642 HAC HEC 88 HAC HEM 88 27.759 -13.931 -13.931 643 1HBC HEC 88 HBC1 HEM 88 29.344 -14.207 -14.207 644 2HBC HEC 88 HBC2 HEM 88 29.618 -15.659 -15.659 645 3HBC HEC 88 HBC3 HEM 88 27.942 -15.204 -15.204 646 1HMD HEC 88 HMD1 HEM 88 32.372 -15.180 -15.180 647 2HMD HEC 88 HMD2 HEM 88 33.198 -14.883 -14.883 648 3HMD HEC 88 HMD3 HEM 88 34.154 -15.452 -15.452 649 1HAD HEC 88 HAD1 HEM 88 36.027 -14.109 -14.109 650 2HAD HEC 88 HAD2 HEM 88 36.700 -12.446 -12.446 651 1HBD HEC 88 HBD1 HEM 88 35.606 -13.662 -13.662 652 2HBD HEC 88 HBD2 HEM 88 34.464 -12.351 -12.351 Start of MODEL 17 1 1H ALA 1 HT2 ALA 1 33.858 10.398 10.398 2 2H ALA 1 HT1 ALA 1 35.024 11.263 11.263 3 3H ALA 1 HT3 ALA 1 34.885 9.584 9.584 4 HA ALA 1 HA ALA 1 33.718 10.184 10.184 5 1HB ALA 1 HB2 ALA 1 33.960 12.720 12.720 6 2HB ALA 1 HB1 ALA 1 32.235 12.501 12.501 7 3HB ALA 1 HB3 ALA 1 33.385 12.371 12.371 8 H ASP 2 HN ASP 2 31.408 9.987 9.987 9 HA ASP 2 HA ASP 2 29.172 9.407 9.407 10 1HB ASP 2 HB2 ASP 2 29.715 9.550 9.550 11 2HB ASP 2 HB1 ASP 2 28.185 9.751 9.751 12 H LEU 3 HN LEU 3 31.915 7.753 7.753 13 HA LEU 3 HA LEU 3 30.792 5.486 5.486 14 1HB LEU 3 HB2 LEU 3 32.875 4.416 4.416 15 2HB LEU 3 HB1 LEU 3 33.289 6.132 6.132 16 HG LEU 3 HG LEU 3 32.930 5.981 5.981 17 1HD1 LEU 3 HD11 LEU 3 32.746 3.288 3.288 18 2HD1 LEU 3 HD13 LEU 3 34.283 3.445 3.445 19 3HD1 LEU 3 HD12 LEU 3 32.771 3.873 3.873 20 1HD2 LEU 3 HD22 LEU 3 35.259 5.506 5.506 21 2HD2 LEU 3 HD21 LEU 3 35.036 6.723 6.723 22 3HD2 LEU 3 HD23 LEU 3 35.485 5.074 5.074 23 H ALA 4 HN ALA 4 29.986 6.582 6.582 24 HA ALA 4 HA ALA 4 30.036 4.139 4.139 25 1HB ALA 4 HB2 ALA 4 29.084 6.877 6.877 26 2HB ALA 4 HB1 ALA 4 27.917 5.698 5.698 27 3HB ALA 4 HB3 ALA 4 29.567 5.701 5.701 28 H ASN 5 HN ASN 5 28.151 5.530 5.530 29 HA ASN 5 HA ASN 5 25.759 3.943 3.943 30 1HB ASN 5 HB2 ASN 5 26.653 5.976 5.976 31 2HB ASN 5 HB1 ASN 5 25.983 4.660 4.660 32 1HD2 ASN 5 HD22 ASN 5 22.997 6.610 6.610 33 2HD2 ASN 5 HD21 ASN 5 24.289 6.541 6.541 34 H GLY 6 HN GLY 6 28.851 3.133 3.133 35 1HA GLY 6 HA2 GLY 6 28.234 1.127 1.127 36 2HA GLY 6 HA1 GLY 6 29.826 1.448 1.448 37 H ALA 7 HN ALA 7 29.308 1.243 1.243 38 HA ALA 7 HA ALA 7 29.351 -1.527 -1.527 39 1HB ALA 7 HB3 ALA 7 29.563 0.855 0.855 40 2HB ALA 7 HB2 ALA 7 28.202 -0.016 -0.016 41 3HB ALA 7 HB1 ALA 7 29.783 -0.792 -0.792 42 H LYS 8 HN LYS 8 26.689 0.816 0.816 43 HA LYS 8 HA LYS 8 24.702 -0.883 -0.883 44 1HB LYS 8 HB2 LYS 8 23.200 0.552 0.552 45 2HB LYS 8 HB1 LYS 8 23.868 1.270 1.270 46 1HG LYS 8 HG2 LYS 8 25.440 2.478 2.478 47 2HG LYS 8 HG1 LYS 8 25.601 1.265 1.265 48 1HD LYS 8 HD2 LYS 8 23.249 3.168 3.168 49 2HD LYS 8 HD1 LYS 8 24.513 3.305 3.305 50 1HE LYS 8 HE2 LYS 8 23.497 1.925 1.925 51 2HE LYS 8 HE1 LYS 8 23.471 0.676 0.676 52 1HZ LYS 8 HZ1 LYS 8 21.565 2.720 2.720 53 2HZ LYS 8 HZ3 LYS 8 21.298 2.037 2.037 54 3HZ LYS 8 HZ2 LYS 8 21.324 1.045 1.045 55 H VAL 9 HN VAL 9 26.049 -0.614 -0.614 56 HA VAL 9 HA VAL 9 24.136 -2.638 -2.638 57 HB VAL 9 HB VAL 9 26.297 -1.079 -1.079 58 1HG1 VAL 9 HG12 VAL 9 24.297 -3.153 -3.153 59 2HG1 VAL 9 HG11 VAL 9 24.617 -1.823 -1.823 60 3HG1 VAL 9 HG13 VAL 9 25.933 -2.878 -2.878 61 1HG2 VAL 9 HG23 VAL 9 23.499 -0.560 -0.560 62 2HG2 VAL 9 HG22 VAL 9 24.787 0.584 0.584 63 3HG2 VAL 9 HG21 VAL 9 23.867 -0.221 -0.221 64 H PHE 10 HN PHE 10 27.392 -2.535 -2.535 65 HA PHE 10 HA PHE 10 28.115 -4.916 -4.916 66 1HB PHE 10 HB2 PHE 10 29.910 -3.375 -3.375 67 2HB PHE 10 HB1 PHE 10 29.550 -3.514 -3.514 68 HD1 PHE 10 HD1 PHE 10 29.645 -5.832 -5.832 69 HD2 PHE 10 HD2 PHE 10 31.405 -4.945 -4.945 70 HE1 PHE 10 HE1 PHE 10 31.036 -7.852 -7.852 71 HE2 PHE 10 HE2 PHE 10 32.794 -6.987 -6.987 72 HZ PHE 10 HZ PHE 10 32.616 -8.442 -8.442 73 H SER 11 HN SER 11 26.799 -4.175 -4.175 74 HA SER 11 HA SER 11 27.220 -6.912 -6.912 75 1HB SER 11 HB2 SER 11 26.545 -6.114 -6.114 76 2HB SER 11 HB1 SER 11 27.078 -4.599 -4.599 77 HG SER 11 HG SER 11 24.892 -4.292 -4.292 78 H GLY 12 HN GLY 12 25.346 -6.005 -6.005 79 1HA GLY 12 HA2 GLY 12 23.192 -7.837 -7.837 80 2HA GLY 12 HA1 GLY 12 22.720 -6.236 -6.236 81 H ASN 13 HN ASN 13 25.497 -7.083 -7.083 82 HA ASN 13 HA ASN 13 24.048 -8.606 -8.606 83 1HB ASN 13 HB2 ASN 13 25.609 -6.078 -6.078 84 2HB ASN 13 HB1 ASN 13 24.671 -7.053 -7.053 85 1HD2 ASN 13 HD22 ASN 13 22.597 -4.751 -4.751 86 2HD2 ASN 13 HD21 ASN 13 24.119 -5.368 -5.368 87 H CYS 14 HN CYS 14 27.133 -7.035 -7.035 88 HA CYS 14 HA CYS 14 28.694 -8.968 -8.968 89 1HB CYS 14 HB2 CYS 14 29.883 -7.287 -7.287 90 2HB CYS 14 HB1 CYS 14 30.553 -7.703 -7.703 91 H ALA 15 HN ALA 15 27.650 -8.563 -8.563 92 HA ALA 15 HA ALA 15 29.321 -10.259 -10.259 93 1HB ALA 15 HB2 ALA 15 27.370 -9.022 -9.022 94 2HB ALA 15 HB1 ALA 15 26.308 -10.245 -10.245 95 3HB ALA 15 HB3 ALA 15 27.462 -10.695 -10.695 96 H ALA 16 HN ALA 16 26.652 -11.196 -11.196 97 HA ALA 16 HA ALA 16 26.643 -13.975 -13.975 98 1HB ALA 16 HB1 ALA 16 25.098 -12.558 -12.558 99 2HB ALA 16 HB3 ALA 16 26.314 -12.825 -12.825 100 3HB ALA 16 HB2 ALA 16 25.479 -14.200 -14.200 101 H CYS 17 HN CYS 17 28.623 -12.136 -12.136 102 HA CYS 17 HA CYS 17 30.337 -14.558 -14.558 103 1HB CYS 17 HB2 CYS 17 29.938 -12.302 -12.302 104 2HB CYS 17 HB1 CYS 17 30.993 -13.683 -13.683 105 H HIS 18 HN HIS 18 30.499 -12.375 -12.375 106 HA HIS 18 HA HIS 18 33.371 -11.912 -11.912 107 1HB HIS 18 HB2 HIS 18 31.364 -9.639 -9.639 108 2HB HIS 18 HB1 HIS 18 33.068 -9.407 -9.407 109 HD1 HIS 18 HD1 HIS 18 34.815 -10.144 -10.144 110 HD2 HIS 18 HD2 HIS 18 30.907 -9.981 -9.981 111 HE1 HIS 18 HE1 HIS 18 34.946 -10.314 -10.314 112 H MET 19 HN MET 19 30.900 -10.066 -10.066 113 HA MET 19 HA MET 19 30.555 -9.704 -9.704 114 1HB MET 19 HB2 MET 19 30.488 -12.451 -12.451 115 2HB MET 19 HB1 MET 19 31.477 -12.240 -12.240 116 1HG MET 19 HG2 MET 19 29.107 -10.520 -10.520 117 2HG MET 19 HG1 MET 19 28.708 -12.241 -12.241 118 1HE MET 19 HE2 MET 19 27.509 -12.003 -12.003 119 2HE MET 19 HE1 MET 19 28.198 -13.033 -13.033 120 3HE MET 19 HE3 MET 19 27.901 -11.319 -11.319 121 H GLY 20 HN GLY 20 31.788 -8.595 -8.595 122 1HA GLY 20 HA2 GLY 20 33.770 -7.743 -7.743 123 2HA GLY 20 HA1 GLY 20 34.053 -9.439 -9.439 124 H GLY 21 HN GLY 21 33.975 -7.816 -7.816 125 1HA GLY 21 HA2 GLY 21 35.510 -7.916 -7.916 126 2HA GLY 21 HA1 GLY 21 36.691 -7.549 -7.549 127 H GLY 22 HN GLY 22 34.810 -10.338 -10.338 128 1HA GLY 22 HA2 GLY 22 37.294 -11.923 -11.923 129 2HA GLY 22 HA1 GLY 22 36.023 -12.498 -12.498 130 H ASN 23 HN ASN 23 36.869 -11.955 -11.955 131 HA ASN 23 HA ASN 23 34.446 -12.742 -12.742 132 1HB ASN 23 HB2 ASN 23 36.871 -12.053 -12.053 133 2HB ASN 23 HB1 ASN 23 36.914 -13.796 -13.796 134 1HD2 ASN 23 HD22 ASN 23 35.195 -11.987 -11.987 135 2HD2 ASN 23 HD21 ASN 23 36.691 -11.735 -11.735 136 H VAL 24 HN VAL 24 33.925 -14.895 -14.895 137 HA VAL 24 HA VAL 24 35.156 -17.178 -17.178 138 HB VAL 24 HB VAL 24 32.839 -18.154 -18.154 139 1HG1 VAL 24 HG12 VAL 24 33.897 -15.763 -15.763 140 2HG1 VAL 24 HG11 VAL 24 32.237 -16.236 -16.236 141 3HG1 VAL 24 HG13 VAL 24 33.554 -17.379 -17.379 142 1HG2 VAL 24 HG21 VAL 24 32.174 -15.428 -15.428 143 2HG2 VAL 24 HG23 VAL 24 31.464 -16.988 -16.988 144 3HG2 VAL 24 HG22 VAL 24 31.067 -16.219 -16.219 145 H VAL 25 HN VAL 25 32.781 -16.365 -16.365 146 HA VAL 25 HA VAL 25 32.812 -18.752 -18.752 147 HB VAL 25 HB VAL 25 32.815 -15.902 -15.902 148 1HG1 VAL 25 HG12 VAL 25 33.685 -17.476 -17.476 149 2HG1 VAL 25 HG11 VAL 25 32.228 -18.453 -18.453 150 3HG1 VAL 25 HG13 VAL 25 32.111 -16.810 -16.810 151 1HG2 VAL 25 HG21 VAL 25 30.880 -16.655 -16.655 152 2HG2 VAL 25 HG23 VAL 25 30.418 -16.331 -16.331 153 3HG2 VAL 25 HG22 VAL 25 30.630 -17.993 -17.993 154 H MET 26 HN MET 26 35.014 -16.014 -16.014 155 HA MET 26 HA MET 26 36.767 -17.397 -17.397 156 1HB MET 26 HB2 MET 26 38.508 -15.723 -15.723 157 2HB MET 26 HB1 MET 26 37.007 -15.019 -15.019 158 1HG MET 26 HG2 MET 26 37.328 -13.853 -13.853 159 2HG MET 26 HG1 MET 26 36.235 -15.143 -15.143 160 1HE MET 26 HE1 MET 26 36.338 -16.457 -16.457 161 2HE MET 26 HE3 MET 26 37.688 -17.392 -17.392 162 3HE MET 26 HE2 MET 26 37.213 -15.873 -15.873 163 H ALA 27 HN ALA 27 39.313 -17.482 -17.482 164 HA ALA 27 HA ALA 27 39.095 -19.309 -19.309 165 1HB ALA 27 HB3 ALA 27 39.775 -20.036 -20.036 166 2HB ALA 27 HB2 ALA 27 41.278 -20.070 -20.070 167 3HB ALA 27 HB1 ALA 27 39.898 -21.033 -21.033 168 H ASN 28 HN ASN 28 40.382 -16.473 -16.473 169 HA ASN 28 HA ASN 28 42.387 -16.502 -16.502 170 1HB ASN 28 HB2 ASN 28 44.311 -16.111 -16.111 171 2HB ASN 28 HB1 ASN 28 43.477 -17.443 -17.443 172 1HD2 ASN 28 HD22 ASN 28 42.160 -15.078 -15.078 173 2HD2 ASN 28 HD21 ASN 28 41.484 -16.184 -16.184 174 H LYS 29 HN LYS 29 40.675 -14.745 -14.745 175 HA LYS 29 HA LYS 29 41.647 -12.142 -12.142 176 1HB LYS 29 HB2 LYS 29 39.057 -12.518 -12.518 177 2HB LYS 29 HB1 LYS 29 40.290 -11.277 -11.277 178 1HG LYS 29 HG2 LYS 29 41.800 -13.318 -13.318 179 2HG LYS 29 HG1 LYS 29 40.250 -14.106 -14.106 180 1HD LYS 29 HD2 LYS 29 39.611 -12.054 -12.054 181 2HD LYS 29 HD1 LYS 29 41.298 -11.554 -11.554 182 1HE LYS 29 HE2 LYS 29 41.600 -14.144 -14.144 183 2HE LYS 29 HE1 LYS 29 40.083 -13.736 -13.736 184 1HZ LYS 29 HZ2 LYS 29 41.374 -11.601 -11.601 185 2HZ LYS 29 HZ1 LYS 29 42.750 -12.551 -12.551 186 3HZ LYS 29 HZ3 LYS 29 41.627 -13.039 -13.039 187 H THR 30 HN THR 30 41.180 -11.685 -11.685 188 HA THR 30 HA THR 30 38.410 -12.179 -12.179 189 HB THR 30 HB THR 30 40.436 -12.772 -12.772 190 HG1 THR 30 HG1 THR 30 39.051 -12.598 -12.598 191 1HG2 THR 30 HG22 THR 30 40.745 -9.823 -9.823 192 2HG2 THR 30 HG21 THR 30 41.105 -10.571 -10.571 193 3HG2 THR 30 HG23 THR 30 41.975 -11.074 -11.074 194 H LEU 31 HN LEU 31 38.703 -9.787 -9.787 195 HA LEU 31 HA LEU 31 38.184 -7.670 -7.670 196 1HB LEU 31 HB2 LEU 31 36.691 -8.420 -8.420 197 2HB LEU 31 HB1 LEU 31 36.878 -6.699 -6.699 198 HG LEU 31 HG LEU 31 34.929 -8.412 -8.412 199 1HD1 LEU 31 HD11 LEU 31 35.184 -5.800 -5.800 200 2HD1 LEU 31 HD13 LEU 31 35.598 -5.843 -5.843 201 3HD1 LEU 31 HD12 LEU 31 34.035 -6.457 -6.457 202 1HD2 LEU 31 HD22 LEU 31 36.646 -9.206 -9.206 203 2HD2 LEU 31 HD21 LEU 31 35.285 -8.371 -8.371 204 3HD2 LEU 31 HD23 LEU 31 36.818 -7.540 -7.540 205 H LYS 32 HN LYS 32 40.135 -8.613 -8.613 206 HA LYS 32 HA LYS 32 40.683 -6.232 -6.232 207 1HB LYS 32 HB2 LYS 32 42.277 -8.649 -8.649 208 2HB LYS 32 HB1 LYS 32 43.195 -7.227 -7.227 209 1HG LYS 32 HG2 LYS 32 42.445 -7.340 -7.340 210 2HG LYS 32 HG1 LYS 32 40.832 -7.863 -7.863 211 1HD LYS 32 HD2 LYS 32 42.101 -9.635 -9.635 212 2HD LYS 32 HD1 LYS 32 41.636 -10.129 -10.129 213 1HE LYS 32 HE2 LYS 32 44.051 -9.005 -9.005 214 2HE LYS 32 HE1 LYS 32 44.331 -9.588 -9.588 215 1HZ LYS 32 HZ2 LYS 32 43.082 -11.679 -11.679 216 2HZ LYS 32 HZ1 LYS 32 43.920 -11.077 -11.077 217 3HZ LYS 32 HZ3 LYS 32 44.772 -11.507 -11.507 218 H LYS 33 HN LYS 33 43.150 -7.246 -7.246 219 HA LYS 33 HA LYS 33 42.841 -5.400 -5.400 220 1HB LYS 33 HB2 LYS 33 44.482 -3.574 -3.574 221 2HB LYS 33 HB1 LYS 33 42.772 -3.494 -3.494 222 1HG LYS 33 HG2 LYS 33 43.245 -3.786 -3.786 223 2HG LYS 33 HG1 LYS 33 44.209 -5.224 -5.224 224 1HD LYS 33 HD2 LYS 33 45.570 -2.789 -2.789 225 2HD LYS 33 HD1 LYS 33 45.185 -2.754 -2.754 226 1HE LYS 33 HE2 LYS 33 46.128 -5.154 -5.154 227 2HE LYS 33 HE1 LYS 33 46.818 -4.796 -4.796 228 1HZ LYS 33 HZ2 LYS 33 47.237 -2.781 -2.781 229 2HZ LYS 33 HZ1 LYS 33 48.041 -4.255 -4.255 230 3HZ LYS 33 HZ3 LYS 33 48.308 -3.381 -3.381 231 H GLU 34 HN GLU 34 45.214 -6.593 -6.593 232 HA GLU 34 HA GLU 34 47.554 -6.366 -6.366 233 1HB GLU 34 HB2 GLU 34 48.151 -8.608 -8.608 234 2HB GLU 34 HB1 GLU 34 47.913 -7.132 -7.132 235 1HG GLU 34 HG2 GLU 34 45.778 -7.787 -7.787 236 2HG GLU 34 HG1 GLU 34 45.582 -8.945 -8.945 237 H ALA 35 HN ALA 35 44.885 -8.573 -8.573 238 HA ALA 35 HA ALA 35 46.382 -10.052 -10.052 239 1HB ALA 35 HB1 ALA 35 44.955 -11.064 -11.064 240 2HB ALA 35 HB3 ALA 35 43.682 -10.945 -10.945 241 3HB ALA 35 HB2 ALA 35 45.129 -11.901 -11.901 242 H LEU 36 HN LEU 36 42.994 -9.164 -9.164 243 HA LEU 36 HA LEU 36 42.215 -9.191 -9.191 244 1HB LEU 36 HB2 LEU 36 40.472 -7.453 -7.453 245 2HB LEU 36 HB1 LEU 36 40.480 -9.033 -9.033 246 HG LEU 36 HG LEU 36 42.303 -7.038 -7.038 247 1HD1 LEU 36 HD12 LEU 36 39.736 -6.154 -6.154 248 2HD1 LEU 36 HD11 LEU 36 39.618 -6.624 -6.624 249 3HD1 LEU 36 HD13 LEU 36 40.816 -5.434 -5.434 250 1HD2 LEU 36 HD22 LEU 36 41.125 -9.468 -9.468 251 2HD2 LEU 36 HD21 LEU 36 42.044 -8.421 -8.421 252 3HD2 LEU 36 HD23 LEU 36 40.295 -8.285 -8.285 253 H GLU 37 HN GLU 37 43.732 -6.507 -6.507 254 HA GLU 37 HA GLU 37 43.215 -4.613 -4.613 255 1HB GLU 37 HB2 GLU 37 43.842 -4.000 -4.000 256 2HB GLU 37 HB1 GLU 37 45.490 -4.520 -4.520 257 1HG GLU 37 HG2 GLU 37 44.838 -2.878 -2.878 258 2HG GLU 37 HG1 GLU 37 44.115 -2.054 -2.054 259 H GLN 38 HN GLN 38 45.780 -6.950 -6.950 260 HA GLN 38 HA GLN 38 47.527 -5.826 -5.826 261 1HB GLN 38 HB2 GLN 38 47.505 -8.560 -8.560 262 2HB GLN 38 HB1 GLN 38 48.818 -7.915 -7.915 263 1HG GLN 38 HG2 GLN 38 47.821 -6.863 -6.863 264 2HG GLN 38 HG1 GLN 38 49.416 -7.537 -7.537 265 1HE2 GLN 38 HE22 GLN 38 48.542 -3.705 -3.705 266 2HE2 GLN 38 HE21 GLN 38 47.272 -4.769 -4.769 267 H PHE 39 HN PHE 39 45.883 -8.977 -8.977 268 HA PHE 39 HA PHE 39 45.914 -9.093 -9.093 269 1HB PHE 39 HB2 PHE 39 45.068 -11.434 -11.434 270 2HB PHE 39 HB1 PHE 39 46.635 -11.069 -11.069 271 HD1 PHE 39 HD1 PHE 39 43.001 -10.662 -10.662 272 HD2 PHE 39 HD2 PHE 39 46.974 -11.861 -11.861 273 HE1 PHE 39 HE1 PHE 39 42.180 -11.273 -11.273 274 HE2 PHE 39 HE2 PHE 39 46.134 -12.483 -12.483 275 HZ PHE 39 HZ PHE 39 43.735 -12.192 -12.192 276 H GLY 40 HN GLY 40 43.755 -8.456 -8.456 277 1HA GLY 40 HA2 GLY 40 41.343 -9.091 -9.091 278 2HA GLY 40 HA1 GLY 40 41.386 -8.457 -8.457 279 H MET 41 HN MET 41 43.343 -6.314 -6.314 280 HA MET 41 HA MET 41 42.965 -4.034 -4.034 281 1HB MET 41 HB2 MET 41 41.834 -5.606 -5.606 282 2HB MET 41 HB1 MET 41 41.195 -3.964 -3.964 283 1HG MET 41 HG2 MET 41 43.864 -3.547 -3.547 284 2HG MET 41 HG1 MET 41 43.916 -4.879 -4.879 285 1HE MET 41 HE3 MET 41 45.027 -2.214 -2.214 286 2HE MET 41 HE2 MET 41 44.727 -1.439 -1.439 287 3HE MET 41 HE1 MET 41 43.883 -0.871 -0.871 288 H TYR 42 HN TYR 42 41.891 -4.249 -4.249 289 HA TYR 42 HA TYR 42 38.944 -4.090 -4.090 290 1HB TYR 42 HB2 TYR 42 39.118 -5.134 -5.134 291 2HB TYR 42 HB1 TYR 42 40.804 -5.398 -5.398 292 HD1 TYR 42 HD1 TYR 42 42.392 -3.306 -3.306 293 HD2 TYR 42 HD2 TYR 42 38.621 -4.074 -4.074 294 HE1 TYR 42 HE1 TYR 42 43.075 -1.894 -1.894 295 HE2 TYR 42 HE2 TYR 42 39.301 -2.654 -2.654 296 HH TYR 42 HH TYR 42 41.490 -1.908 -1.908 297 H SER 43 HN SER 43 41.535 -1.907 -1.907 298 HA SER 43 HA SER 43 40.947 0.061 0.061 299 1HB SER 43 HB2 SER 43 41.671 1.692 1.692 300 2HB SER 43 HB1 SER 43 42.826 0.502 0.502 301 HG SER 43 HG SER 43 42.868 -0.344 -0.344 302 H GLU 44 HN GLU 44 39.920 2.316 2.316 303 HA GLU 44 HA GLU 44 37.165 2.135 2.135 304 1HB GLU 44 HB2 GLU 44 39.107 4.219 4.219 305 2HB GLU 44 HB1 GLU 44 37.798 4.420 4.420 306 1HG GLU 44 HG2 GLU 44 36.178 4.668 4.668 307 2HG GLU 44 HG1 GLU 44 37.146 3.822 3.822 308 H ASP 45 HN ASP 45 38.728 3.361 3.361 309 HA ASP 45 HA ASP 45 36.657 2.669 2.669 310 1HB ASP 45 HB2 ASP 45 38.756 4.082 4.082 311 2HB ASP 45 HB1 ASP 45 39.514 2.549 2.549 312 H ALA 46 HN ALA 46 38.961 0.623 0.623 313 HA ALA 46 HA ALA 46 38.841 -1.548 -1.548 314 1HB ALA 46 HB1 ALA 46 40.230 -0.897 -0.897 315 2HB ALA 46 HB3 ALA 46 39.490 -2.475 -2.475 316 3HB ALA 46 HB2 ALA 46 40.587 -2.186 -2.186 317 H ILE 47 HN ILE 47 37.942 -1.934 -1.934 318 HA ILE 47 HA ILE 47 36.093 -3.978 -3.978 319 HB ILE 47 HB ILE 47 36.902 -3.223 -3.223 320 1HG1 ILE 47 HG12 ILE 47 33.908 -2.803 -2.803 321 2HG1 ILE 47 HG11 ILE 47 34.666 -4.391 -4.391 322 1HG2 ILE 47 HG21 ILE 47 35.363 -0.733 -0.733 323 2HG2 ILE 47 HG23 ILE 47 35.716 -1.174 -1.174 324 3HG2 ILE 47 HG22 ILE 47 37.036 -0.879 -0.879 325 1HD1 ILE 47 HD13 ILE 47 35.861 -3.629 -3.629 326 2HD1 ILE 47 HD12 ILE 47 34.694 -2.308 -2.308 327 3HD1 ILE 47 HD11 ILE 47 34.137 -3.971 -3.971 328 H ILE 48 HN ILE 48 35.635 -0.516 -0.516 329 HA ILE 48 HA ILE 48 32.827 -0.340 -0.340 330 HB ILE 48 HB ILE 48 34.977 1.216 1.216 331 1HG1 ILE 48 HG12 ILE 48 33.192 2.017 2.017 332 2HG1 ILE 48 HG11 ILE 48 34.777 1.281 1.281 333 1HG2 ILE 48 HG22 ILE 48 32.231 1.176 1.176 334 2HG2 ILE 48 HG21 ILE 48 32.489 2.629 2.629 335 3HG2 ILE 48 HG23 ILE 48 33.422 2.376 2.376 336 1HD1 ILE 48 HD13 ILE 48 35.604 3.160 3.160 337 2HD1 ILE 48 HD12 ILE 48 34.088 3.955 3.955 338 3HD1 ILE 48 HD11 ILE 48 35.266 3.579 3.579 339 H TYR 49 HN TYR 49 35.086 -1.181 -1.181 340 HA TYR 49 HA TYR 49 32.923 -1.460 -1.460 341 1HB TYR 49 HB2 TYR 49 35.019 -0.861 -0.861 342 2HB TYR 49 HB1 TYR 49 35.872 -2.122 -2.122 343 HD1 TYR 49 HD1 TYR 49 33.003 -1.768 -1.768 344 HD2 TYR 49 HD2 TYR 49 36.389 -4.090 -4.090 345 HE1 TYR 49 HE1 TYR 49 32.585 -3.368 -3.368 346 HE2 TYR 49 HE2 TYR 49 35.974 -5.690 -5.690 347 HH TYR 49 HH TYR 49 33.645 -5.039 -5.039 348 H GLN 50 HN GLN 50 34.510 -3.639 -3.639 349 HA GLN 50 HA GLN 50 33.232 -5.910 -5.910 350 1HB GLN 50 HB2 GLN 50 34.292 -7.286 -7.286 351 2HB GLN 50 HB1 GLN 50 35.396 -6.511 -6.511 352 1HG GLN 50 HG2 GLN 50 34.658 -4.814 -4.814 353 2HG GLN 50 HG1 GLN 50 35.518 -6.280 -6.280 354 1HE2 GLN 50 HE22 GLN 50 37.602 -4.248 -4.248 355 2HE2 GLN 50 HE21 GLN 50 36.016 -4.774 -4.774 356 H VAL 51 HN VAL 51 32.343 -3.618 -3.618 357 HA VAL 51 HA VAL 51 30.566 -5.385 -5.385 358 HB VAL 51 HB VAL 51 31.258 -2.447 -2.447 359 1HG1 VAL 51 HG12 VAL 51 28.879 -3.881 -3.881 360 2HG1 VAL 51 HG11 VAL 51 29.703 -2.837 -2.837 361 3HG1 VAL 51 HG13 VAL 51 29.095 -2.167 -2.167 362 1HG2 VAL 51 HG21 VAL 51 32.792 -4.131 -4.131 363 2HG2 VAL 51 HG23 VAL 51 32.076 -3.022 -3.022 364 3HG2 VAL 51 HG22 VAL 51 31.449 -4.662 -4.662 365 H GLN 52 HN GLN 52 30.419 -2.569 -2.569 366 HA GLN 52 HA GLN 52 27.582 -2.443 -2.443 367 1HB GLN 52 HB2 GLN 52 29.875 -1.190 -1.190 368 2HB GLN 52 HB1 GLN 52 28.684 -1.551 -1.551 369 1HG GLN 52 HG2 GLN 52 26.949 -0.393 -0.393 370 2HG GLN 52 HG1 GLN 52 28.065 -0.117 -0.117 371 1HE2 GLN 52 HE22 GLN 52 30.073 2.135 2.135 372 2HE2 GLN 52 HE21 GLN 52 30.389 0.666 0.666 373 H HIS 53 HN HIS 53 29.740 -4.811 -4.811 374 HA HIS 53 HA HIS 53 27.591 -5.924 -5.924 375 1HB HIS 53 HB2 HIS 53 30.131 -5.940 -5.940 376 2HB HIS 53 HB1 HIS 53 28.525 -5.688 -5.688 377 HD1 HIS 53 HD1 HIS 53 28.367 -3.443 -3.443 378 HD2 HIS 53 HD2 HIS 53 30.803 -3.337 -3.337 379 HE1 HIS 53 HE1 HIS 53 29.148 -1.047 -1.047 380 H GLY 54 HN GLY 54 29.404 -6.487 -6.487 381 1HA GLY 54 HA2 GLY 54 30.597 -8.362 -8.362 382 2HA GLY 54 HA1 GLY 54 29.598 -9.269 -9.269 383 H LYS 55 HN LYS 55 30.923 -10.458 -10.458 384 HA LYS 55 HA LYS 55 32.413 -9.982 -9.982 385 1HB LYS 55 HB2 LYS 55 33.872 -8.894 -8.894 386 2HB LYS 55 HB1 LYS 55 34.824 -10.000 -10.000 387 1HG LYS 55 HG2 LYS 55 34.651 -7.378 -7.378 388 2HG LYS 55 HG1 LYS 55 34.848 -8.621 -8.621 389 1HD LYS 55 HD2 LYS 55 32.032 -8.142 -8.142 390 2HD LYS 55 HD1 LYS 55 32.843 -6.707 -6.707 391 1HE LYS 55 HE2 LYS 55 33.116 -7.601 -7.601 392 2HE LYS 55 HE1 LYS 55 33.444 -9.216 -9.216 393 1HZ LYS 55 HZ1 LYS 55 30.737 -8.100 -8.100 394 2HZ LYS 55 HZ3 LYS 55 31.244 -8.734 -8.734 395 3HZ LYS 55 HZ2 LYS 55 31.228 -9.722 -9.722 396 H ASN 56 HN ASN 56 33.375 -11.846 -11.846 397 HA ASN 56 HA ASN 56 33.801 -14.141 -14.141 398 1HB ASN 56 HB2 ASN 56 34.923 -13.313 -13.313 399 2HB ASN 56 HB1 ASN 56 35.032 -14.980 -14.980 400 1HD2 ASN 56 HD22 ASN 56 37.220 -12.054 -12.054 401 2HD2 ASN 56 HD21 ASN 56 35.891 -11.614 -11.614 402 H ALA 57 HN ALA 57 33.339 -14.198 -14.198 403 HA ALA 57 HA ALA 57 30.668 -15.481 -15.481 404 1HB ALA 57 HB2 ALA 57 32.758 -16.969 -16.969 405 2HB ALA 57 HB1 ALA 57 32.461 -16.299 -16.299 406 3HB ALA 57 HB3 ALA 57 31.202 -17.227 -17.227 407 H MET 58 HN MET 58 31.029 -12.747 -12.747 408 HA MET 58 HA MET 58 30.206 -12.564 -12.564 409 1HB MET 58 HB2 MET 58 32.372 -11.460 -11.460 410 2HB MET 58 HB1 MET 58 31.542 -10.439 -10.439 411 1HG MET 58 HG2 MET 58 30.116 -9.531 -9.531 412 2HG MET 58 HG1 MET 58 30.914 -10.581 -10.581 413 1HE MET 58 HE1 MET 58 30.828 -7.916 -7.916 414 2HE MET 58 HE3 MET 58 31.899 -6.664 -6.664 415 3HE MET 58 HE2 MET 58 30.536 -7.246 -7.246 416 HA PRO 59 HA PRO 59 26.382 -11.123 -11.123 417 1HB PRO 59 HB2 PRO 59 25.325 -10.236 -10.236 418 2HB PRO 59 HB1 PRO 59 25.443 -11.943 -11.943 419 1HG PRO 59 HG2 PRO 59 27.054 -10.377 -10.377 420 2HG PRO 59 HG1 PRO 59 26.731 -12.113 -12.113 421 1HD PRO 59 HD2 PRO 59 29.110 -10.807 -10.807 422 2HD PRO 59 HD1 PRO 59 28.697 -12.512 -12.512 423 H ALA 60 HN ALA 60 26.499 -9.259 -9.259 424 HA ALA 60 HA ALA 60 27.533 -6.768 -6.768 425 1HB ALA 60 HB3 ALA 60 24.800 -7.396 -7.396 426 2HB ALA 60 HB2 ALA 60 25.674 -5.884 -5.884 427 3HB ALA 60 HB1 ALA 60 26.320 -7.391 -7.391 428 H PHE 61 HN PHE 61 26.495 -4.719 -4.719 429 HA PHE 61 HA PHE 61 24.331 -5.003 -5.003 430 1HB PHE 61 HB2 PHE 61 27.118 -4.090 -4.090 431 2HB PHE 61 HB1 PHE 61 25.739 -3.541 -3.541 432 HD1 PHE 61 HD1 PHE 61 23.972 -5.874 -5.874 433 HD2 PHE 61 HD2 PHE 61 28.245 -5.665 -5.665 434 HE1 PHE 61 HE1 PHE 61 23.969 -8.023 -8.023 435 HE2 PHE 61 HE2 PHE 61 28.242 -7.810 -7.810 436 HZ PHE 61 HZ PHE 61 26.106 -8.990 -8.990 437 H ALA 62 HN ALA 62 25.189 -3.583 -3.583 438 HA ALA 62 HA ALA 62 25.160 -0.795 -0.795 439 1HB ALA 62 HB3 ALA 62 25.560 -2.182 -2.182 440 2HB ALA 62 HB2 ALA 62 23.817 -2.006 -2.006 441 3HB ALA 62 HB1 ALA 62 24.843 -0.575 -0.575 442 H GLY 63 HN GLY 63 22.695 -3.083 -3.083 443 1HA GLY 63 HA2 GLY 63 20.663 -0.879 -0.879 444 2HA GLY 63 HA1 GLY 63 20.258 -2.540 -2.540 445 H ARG 64 HN ARG 64 22.501 -2.959 -2.959 446 HA ARG 64 HA ARG 64 20.478 -3.237 -3.237 447 1HB ARG 64 HB2 ARG 64 22.051 -5.120 -5.120 448 2HB ARG 64 HB1 ARG 64 23.203 -4.445 -4.445 449 1HG ARG 64 HG2 ARG 64 21.627 -4.811 -4.811 450 2HG ARG 64 HG1 ARG 64 20.411 -5.401 -5.401 451 1HD ARG 64 HD2 ARG 64 22.446 -6.986 -6.986 452 2HD ARG 64 HD1 ARG 64 22.905 -6.711 -6.711 453 HE ARG 64 HE ARG 64 20.210 -7.780 -7.780 454 1HH1 ARG 64 HH11 ARG 64 23.216 -8.695 -8.695 455 2HH1 ARG 64 HH12 ARG 64 22.636 -9.483 -9.483 456 1HH2 ARG 64 HH21 ARG 64 19.377 -8.363 -8.363 457 2HH2 ARG 64 HH22 ARG 64 20.462 -9.295 -9.295 458 H LEU 65 HN LEU 65 23.967 -2.703 -2.703 459 HA LEU 65 HA LEU 65 24.277 -1.324 -1.324 460 1HB LEU 65 HB2 LEU 65 25.924 -1.613 -1.613 461 2HB LEU 65 HB1 LEU 65 26.418 -0.466 -0.466 462 HG LEU 65 HG LEU 65 27.275 -2.984 -2.984 463 1HD1 LEU 65 HD12 LEU 65 26.340 -1.393 -1.393 464 2HD1 LEU 65 HD11 LEU 65 27.430 -2.777 -2.777 465 3HD1 LEU 65 HD13 LEU 65 27.925 -1.322 -1.322 466 1HD2 LEU 65 HD22 LEU 65 24.626 -3.123 -3.123 467 2HD2 LEU 65 HD21 LEU 65 25.051 -4.021 -4.021 468 3HD2 LEU 65 HD23 LEU 65 25.884 -4.355 -4.355 469 H THR 66 HN THR 66 23.057 0.477 0.477 470 HA THR 66 HA THR 66 21.883 2.212 2.212 471 HB THR 66 HB THR 66 23.326 3.103 3.103 472 HG1 THR 66 HG1 THR 66 21.531 2.480 2.480 473 1HG2 THR 66 HG22 THR 66 21.272 4.334 4.334 474 2HG2 THR 66 HG21 THR 66 21.294 4.736 4.736 475 3HG2 THR 66 HG23 THR 66 22.707 5.067 5.067 476 H ASP 67 HN ASP 67 22.579 4.492 4.492 477 HA ASP 67 HA ASP 67 24.843 4.374 4.374 478 1HB ASP 67 HB2 ASP 67 22.828 6.070 6.070 479 2HB ASP 67 HB1 ASP 67 23.912 6.999 6.999 480 H GLU 68 HN GLU 68 24.440 6.202 6.202 481 HA GLU 68 HA GLU 68 27.228 6.818 6.818 482 1HB GLU 68 HB2 GLU 68 25.209 6.587 6.587 483 2HB GLU 68 HB1 GLU 68 26.637 7.621 7.621 484 1HG GLU 68 HG2 GLU 68 24.992 8.163 8.163 485 2HG GLU 68 HG1 GLU 68 23.990 8.245 8.245 486 H GLN 69 HN GLN 69 26.070 3.857 3.857 487 HA GLN 69 HA GLN 69 27.564 2.712 2.712 488 1HB GLN 69 HB2 GLN 69 25.166 1.991 1.991 489 2HB GLN 69 HB1 GLN 69 26.346 0.681 0.681 490 1HG GLN 69 HG2 GLN 69 25.418 0.205 0.205 491 2HG GLN 69 HG1 GLN 69 26.617 1.373 1.373 492 1HE2 GLN 69 HE22 GLN 69 24.202 4.002 4.002 493 2HE2 GLN 69 HE21 GLN 69 25.855 3.700 3.700 494 H ILE 70 HN ILE 70 27.091 2.533 2.533 495 HA ILE 70 HA ILE 70 29.207 0.706 0.706 496 HB ILE 70 HB ILE 70 28.624 3.167 3.167 497 1HG1 ILE 70 HG12 ILE 70 26.449 2.227 2.227 498 2HG1 ILE 70 HG11 ILE 70 26.868 1.744 1.744 499 1HG2 ILE 70 HG23 ILE 70 30.513 1.571 1.571 500 2HG2 ILE 70 HG22 ILE 70 29.291 0.323 0.323 501 3HG2 ILE 70 HG21 ILE 70 29.303 1.755 1.755 502 1HD1 ILE 70 HD12 ILE 70 27.512 -0.008 -0.008 503 2HD1 ILE 70 HD11 ILE 70 25.952 -0.093 -0.093 504 3HD1 ILE 70 HD13 ILE 70 27.432 -0.460 -0.460 505 H GLN 71 HN GLN 71 29.057 3.913 3.913 506 HA GLN 71 HA GLN 71 31.902 4.434 4.434 507 1HB GLN 71 HB2 GLN 71 29.491 5.946 5.946 508 2HB GLN 71 HB1 GLN 71 31.111 6.551 6.551 509 1HG GLN 71 HG2 GLN 71 30.168 7.534 7.534 510 2HG GLN 71 HG1 GLN 71 31.610 6.569 6.569 511 1HE2 GLN 71 HE22 GLN 71 28.074 5.462 5.462 512 2HE2 GLN 71 HE21 GLN 71 28.222 6.882 6.882 513 H ASP 72 HN ASP 72 29.677 4.946 4.946 514 HA ASP 72 HA ASP 72 31.334 4.744 4.744 515 1HB ASP 72 HB2 ASP 72 28.482 3.770 3.770 516 2HB ASP 72 HB1 ASP 72 29.311 3.888 3.888 517 H VAL 73 HN VAL 73 29.369 1.940 1.940 518 HA VAL 73 HA VAL 73 30.585 0.006 0.006 519 HB VAL 73 HB VAL 73 29.214 -0.039 -0.039 520 1HG1 VAL 73 HG11 VAL 73 31.101 -2.109 -2.109 521 2HG1 VAL 73 HG13 VAL 73 29.505 -2.703 -2.703 522 3HG1 VAL 73 HG12 VAL 73 30.476 -1.787 -1.787 523 1HG2 VAL 73 HG23 VAL 73 28.707 -0.705 -0.705 524 2HG2 VAL 73 HG22 VAL 73 27.575 -0.280 -0.280 525 3HG2 VAL 73 HG21 VAL 73 28.143 -1.943 -1.943 526 H ALA 74 HN ALA 74 31.857 1.488 1.488 527 HA ALA 74 HA ALA 74 34.052 -0.466 -0.466 528 1HB ALA 74 HB2 ALA 74 33.200 0.747 0.747 529 2HB ALA 74 HB1 ALA 74 33.760 2.266 2.266 530 3HB ALA 74 HB3 ALA 74 34.924 1.018 1.018 531 H ALA 75 HN ALA 75 34.316 3.110 3.110 532 HA ALA 75 HA ALA 75 36.809 3.135 3.135 533 1HB ALA 75 HB3 ALA 75 34.471 4.912 4.912 534 2HB ALA 75 HB2 ALA 75 35.356 5.067 5.067 535 3HB ALA 75 HB1 ALA 75 36.190 5.322 5.322 536 H TYR 76 HN TYR 76 33.761 2.045 2.045 537 HA TYR 76 HA TYR 76 34.023 2.083 2.083 538 1HB TYR 76 HB2 TYR 76 31.852 1.582 1.582 539 2HB TYR 76 HB1 TYR 76 32.532 0.261 0.261 540 HD1 TYR 76 HD1 TYR 76 31.641 1.340 1.340 541 HD2 TYR 76 HD2 TYR 76 32.935 -1.883 -1.883 542 HE1 TYR 76 HE1 TYR 76 31.239 -0.132 -0.132 543 HE2 TYR 76 HE2 TYR 76 32.484 -3.425 -3.425 544 HH TYR 76 HH TYR 76 31.337 -3.596 -3.596 545 H VAL 77 HN VAL 77 34.661 -0.527 -0.527 546 HA VAL 77 HA VAL 77 35.815 -2.326 -2.326 547 HB VAL 77 HB VAL 77 35.083 -3.188 -3.188 548 1HG1 VAL 77 HG13 VAL 77 36.702 -0.927 -0.927 549 2HG1 VAL 77 HG12 VAL 77 36.385 -2.309 -2.309 550 3HG1 VAL 77 HG11 VAL 77 35.039 -1.381 -1.381 551 1HG2 VAL 77 HG22 VAL 77 37.854 -3.429 -3.429 552 2HG2 VAL 77 HG21 VAL 77 36.831 -4.628 -4.628 553 3HG2 VAL 77 HG23 VAL 77 37.726 -3.461 -3.461 554 H LEU 78 HN LEU 78 37.019 0.435 0.435 555 HA LEU 78 HA LEU 78 39.845 -0.189 -0.189 556 1HB LEU 78 HB2 LEU 78 38.845 2.592 2.592 557 2HB LEU 78 HB1 LEU 78 40.324 1.814 1.814 558 HG LEU 78 HG LEU 78 37.506 1.405 1.405 559 1HD1 LEU 78 HD12 LEU 78 39.947 2.737 2.737 560 2HD1 LEU 78 HD11 LEU 78 39.348 1.591 1.591 561 3HD1 LEU 78 HD13 LEU 78 38.304 2.888 2.888 562 1HD2 LEU 78 HD21 LEU 78 38.827 -0.792 -0.792 563 2HD2 LEU 78 HD23 LEU 78 38.165 -0.524 -0.524 564 3HD2 LEU 78 HD22 LEU 78 39.878 -0.239 -0.239 565 H ASP 79 HN ASP 79 37.306 0.923 0.923 566 HA ASP 79 HA ASP 79 38.956 2.502 2.502 567 1HB ASP 79 HB2 ASP 79 36.446 2.871 2.871 568 2HB ASP 79 HB1 ASP 79 36.104 1.935 1.935 569 H GLN 80 HN GLN 80 36.907 -0.350 -0.350 570 HA GLN 80 HA GLN 80 37.190 -1.148 -1.148 571 1HB GLN 80 HB2 GLN 80 36.664 -3.032 -3.032 572 2HB GLN 80 HB1 GLN 80 36.054 -3.110 -3.110 573 1HG GLN 80 HG2 GLN 80 35.103 -1.489 -1.489 574 2HG GLN 80 HG1 GLN 80 34.173 -2.333 -2.333 575 1HE2 GLN 80 HE22 GLN 80 34.172 1.445 1.445 576 2HE2 GLN 80 HE21 GLN 80 34.047 0.535 0.535 577 H ALA 81 HN ALA 81 38.759 -2.234 -2.234 578 HA ALA 81 HA ALA 81 40.469 -4.147 -4.147 579 1HB ALA 81 HB1 ALA 81 39.847 -3.792 -3.792 580 2HB ALA 81 HB3 ALA 81 41.315 -2.816 -2.816 581 3HB ALA 81 HB2 ALA 81 41.385 -4.519 -4.519 582 H ALA 82 HN ALA 82 40.540 -0.742 -0.742 583 HA ALA 82 HA ALA 82 43.420 -0.554 -0.554 584 1HB ALA 82 HB1 ALA 82 41.335 1.209 1.209 585 2HB ALA 82 HB3 ALA 82 42.185 1.945 1.945 586 3HB ALA 82 HB2 ALA 82 43.081 1.451 1.451 587 H LYS 83 HN LYS 83 41.136 -1.534 -1.534 588 HA LYS 83 HA LYS 83 42.724 -0.757 -0.757 589 1HB LYS 83 HB2 LYS 83 41.013 0.666 0.666 590 2HB LYS 83 HB1 LYS 83 41.704 1.410 1.410 591 1HG LYS 83 HG2 LYS 83 39.620 0.085 0.085 592 2HG LYS 83 HG1 LYS 83 38.950 0.406 0.406 593 1HD LYS 83 HD2 LYS 83 40.274 2.558 2.558 594 2HD LYS 83 HD1 LYS 83 38.547 2.214 2.214 595 1HE LYS 83 HE2 LYS 83 38.912 2.369 2.369 596 2HE LYS 83 HE1 LYS 83 40.082 3.556 3.556 597 1HZ LYS 83 HZ3 LYS 83 38.131 4.323 4.323 598 2HZ LYS 83 HZ2 LYS 83 37.161 3.510 3.510 599 3HZ LYS 83 HZ1 LYS 83 38.164 4.789 4.789 600 H GLY 84 HN GLY 84 41.629 -3.268 -3.268 601 1HA GLY 84 HA2 GLY 84 40.899 -5.078 -5.078 602 2HA GLY 84 HA1 GLY 84 40.221 -3.906 -3.906 603 H TRP 85 HN TRP 85 39.761 -5.293 -5.293 604 HA TRP 85 HA TRP 85 37.320 -4.382 -4.382 605 1HB TRP 85 HB2 TRP 85 38.786 -6.862 -6.862 606 2HB TRP 85 HB1 TRP 85 37.058 -7.174 -7.174 607 HD1 TRP 85 HD1 TRP 85 39.701 -6.396 -6.396 608 HE1 TRP 85 HE1 TRP 85 38.760 -5.404 -5.404 609 HE3 TRP 85 HE3 TRP 85 34.987 -5.266 -5.266 610 HZ2 TRP 85 HZ2 TRP 85 36.316 -4.305 -4.305 611 HZ3 TRP 85 HZ3 TRP 85 33.370 -4.216 -4.216 612 HH2 TRP 85 HH2 TRP 85 34.028 -3.712 -3.712 613 H ALA 86 HN ALA 86 36.108 -3.767 -3.767 614 HA ALA 86 HA ALA 86 34.468 -4.131 -4.131 615 1HB ALA 86 HB3 ALA 86 34.034 -6.352 -6.352 616 2HB ALA 86 HB2 ALA 86 33.081 -6.299 -6.299 617 3HB ALA 86 HB1 ALA 86 33.012 -4.957 -4.957 618 H GLY 87 HN GLY 87 36.976 -4.854 -4.854 619 1HA GLY 87 HA2 GLY 87 37.561 -7.418 -7.418 620 2HA GLY 87 HA1 GLY 87 37.926 -6.005 -6.005 621 HHA HEC 88 HA HEM 88 36.190 -10.121 -10.121 622 HHB HEC 88 HB HEM 88 33.902 -5.690 -5.690 623 HHC HEC 88 HC HEM 88 28.474 -8.970 -8.970 624 HHD HEC 88 HD HEM 88 31.269 -13.843 -13.843 625 1HMA HEC 88 HMA1 HEM 88 35.971 -5.392 -5.392 626 2HMA HEC 88 HMA2 HEM 88 36.548 -4.995 -4.995 627 3HMA HEC 88 HMA3 HEM 88 37.493 -6.131 -6.131 628 1HAA HEC 88 HAA1 HEM 88 37.345 -6.925 -6.925 629 2HAA HEC 88 HAA2 HEM 88 37.392 -8.723 -8.723 630 1HBA HEC 88 HBA1 HEM 88 39.466 -8.240 -8.240 631 2HBA HEC 88 HBA2 HEM 88 38.872 -6.735 -6.735 632 1HMB HEC 88 HMB1 HEM 88 32.085 -5.143 -5.143 633 2HMB HEC 88 HMB2 HEM 88 32.366 -4.357 -4.357 634 3HMB HEC 88 HMB3 HEM 88 30.712 -4.359 -4.359 635 HAB HEC 88 HAB HEM 88 28.182 -7.309 -7.309 636 1HBB HEC 88 HBB1 HEM 88 27.249 -5.617 -5.617 637 2HBB HEC 88 HBB2 HEM 88 28.335 -4.382 -4.382 638 3HBB HEC 88 HBB3 HEM 88 28.893 -5.331 -5.331 639 1HMC HEC 88 HMC1 HEM 88 27.037 -12.414 -12.414 640 2HMC HEC 88 HMC2 HEM 88 27.319 -10.713 -10.713 641 3HMC HEC 88 HMC3 HEM 88 26.623 -11.037 -11.037 642 HAC HEC 88 HAC HEM 88 29.782 -14.525 -14.525 643 1HBC HEC 88 HBC1 HEM 88 27.886 -14.002 -14.002 644 2HBC HEC 88 HBC2 HEM 88 27.475 -15.339 -15.339 645 3HBC HEC 88 HBC3 HEM 88 26.827 -13.679 -13.679 646 1HMD HEC 88 HMD1 HEM 88 32.446 -14.882 -14.882 647 2HMD HEC 88 HMD2 HEM 88 33.778 -14.691 -14.691 648 3HMD HEC 88 HMD3 HEM 88 34.155 -15.223 -15.223 649 1HAD HEC 88 HAD1 HEM 88 36.290 -13.676 -13.676 650 2HAD HEC 88 HAD2 HEM 88 36.748 -11.922 -11.922 651 1HBD HEC 88 HBD1 HEM 88 35.800 -13.610 -13.610 652 2HBD HEC 88 HBD2 HEM 88 34.706 -12.186 -12.186 Start of MODEL 18 1 1H ALA 1 HT3 ALA 1 32.653 8.738 8.738 2 2H ALA 1 HT2 ALA 1 34.178 9.405 9.405 3 3H ALA 1 HT1 ALA 1 33.230 10.040 10.040 4 HA ALA 1 HA ALA 1 32.216 11.434 11.434 5 1HB ALA 1 HB1 ALA 1 34.558 10.523 10.523 6 2HB ALA 1 HB3 ALA 1 33.276 10.755 10.755 7 3HB ALA 1 HB2 ALA 1 33.754 12.086 12.086 8 H ASP 2 HN ASP 2 30.159 10.309 10.309 9 HA ASP 2 HA ASP 2 28.181 9.533 9.533 10 1HB ASP 2 HB2 ASP 2 29.707 9.180 9.180 11 2HB ASP 2 HB1 ASP 2 27.977 9.464 9.464 12 H LEU 3 HN LEU 3 30.888 7.809 7.809 13 HA LEU 3 HA LEU 3 30.181 5.322 5.322 14 1HB LEU 3 HB2 LEU 3 32.499 6.206 6.206 15 2HB LEU 3 HB1 LEU 3 31.894 5.209 5.209 16 HG LEU 3 HG LEU 3 31.832 4.194 4.194 17 1HD1 LEU 3 HD12 LEU 3 34.194 5.006 5.006 18 2HD1 LEU 3 HD11 LEU 3 34.105 3.384 3.384 19 3HD1 LEU 3 HD13 LEU 3 34.038 3.603 3.603 20 1HD2 LEU 3 HD21 LEU 3 31.760 3.031 3.031 21 2HD2 LEU 3 HD23 LEU 3 30.629 2.785 2.785 22 3HD2 LEU 3 HD22 LEU 3 32.219 2.027 2.027 23 H ALA 4 HN ALA 4 28.511 6.902 6.902 24 HA ALA 4 HA ALA 4 28.052 4.784 4.784 25 1HB ALA 4 HB3 ALA 4 27.578 7.253 7.253 26 2HB ALA 4 HB2 ALA 4 26.212 7.100 7.100 27 3HB ALA 4 HB1 ALA 4 26.247 6.166 6.166 28 H ASN 5 HN ASN 5 27.075 5.767 5.767 29 HA ASN 5 HA ASN 5 24.718 4.047 4.047 30 1HB ASN 5 HB2 ASN 5 26.251 5.815 5.815 31 2HB ASN 5 HB1 ASN 5 24.949 4.786 4.786 32 1HD2 ASN 5 HD22 ASN 5 23.295 7.983 7.983 33 2HD2 ASN 5 HD21 ASN 5 24.333 7.363 7.363 34 H GLY 6 HN GLY 6 28.026 3.634 3.634 35 1HA GLY 6 HA2 GLY 6 28.127 1.454 1.454 36 2HA GLY 6 HA1 GLY 6 29.475 2.058 2.058 37 H ALA 7 HN ALA 7 28.961 1.805 1.805 38 HA ALA 7 HA ALA 7 29.121 -0.799 -0.799 39 1HB ALA 7 HB2 ALA 7 28.058 1.667 1.667 40 2HB ALA 7 HB1 ALA 7 27.784 0.124 0.124 41 3HB ALA 7 HB3 ALA 7 29.428 0.657 0.657 42 H LYS 8 HN LYS 8 26.174 0.994 0.994 43 HA LYS 8 HA LYS 8 24.365 -1.019 -1.019 44 1HB LYS 8 HB2 LYS 8 22.890 0.056 0.056 45 2HB LYS 8 HB1 LYS 8 23.161 0.907 0.907 46 1HG LYS 8 HG2 LYS 8 24.480 2.483 2.483 47 2HG LYS 8 HG1 LYS 8 25.262 1.306 1.306 48 1HD LYS 8 HD2 LYS 8 22.396 2.155 2.155 49 2HD LYS 8 HD1 LYS 8 23.741 3.079 3.079 50 1HE LYS 8 HE2 LYS 8 24.067 1.581 1.581 51 2HE LYS 8 HE1 LYS 8 24.121 0.256 0.256 52 1HZ LYS 8 HZ1 LYS 8 21.624 1.493 1.493 53 2HZ LYS 8 HZ3 LYS 8 22.285 0.044 0.044 54 3HZ LYS 8 HZ2 LYS 8 21.741 0.143 0.143 55 H VAL 9 HN VAL 9 25.755 -0.377 -0.377 56 HA VAL 9 HA VAL 9 24.564 -2.608 -2.608 57 HB VAL 9 HB VAL 9 27.161 -1.171 -1.171 58 1HG1 VAL 9 HG12 VAL 9 26.760 -3.540 -3.540 59 2HG1 VAL 9 HG11 VAL 9 25.501 -2.754 -2.754 60 3HG1 VAL 9 HG13 VAL 9 27.176 -2.232 -2.232 61 1HG2 VAL 9 HG22 VAL 9 24.281 -0.716 -0.716 62 2HG2 VAL 9 HG21 VAL 9 25.562 0.460 0.460 63 3HG2 VAL 9 HG23 VAL 9 25.454 -0.349 -0.349 64 H PHE 10 HN PHE 10 27.994 -2.350 -2.350 65 HA PHE 10 HA PHE 10 28.701 -4.982 -4.982 66 1HB PHE 10 HB2 PHE 10 30.207 -3.172 -3.172 67 2HB PHE 10 HB1 PHE 10 29.590 -3.439 -3.439 68 HD1 PHE 10 HD1 PHE 10 29.963 -5.461 -5.461 69 HD2 PHE 10 HD2 PHE 10 31.737 -4.817 -4.817 70 HE1 PHE 10 HE1 PHE 10 31.520 -7.318 -7.318 71 HE2 PHE 10 HE2 PHE 10 33.303 -6.660 -6.660 72 HZ PHE 10 HZ PHE 10 33.210 -7.925 -7.925 73 H SER 11 HN SER 11 27.222 -3.775 -3.775 74 HA SER 11 HA SER 11 27.278 -6.456 -6.456 75 1HB SER 11 HB2 SER 11 26.516 -3.726 -3.726 76 2HB SER 11 HB1 SER 11 25.708 -5.078 -5.078 77 HG SER 11 HG SER 11 27.593 -5.808 -5.808 78 H GLY 12 HN GLY 12 25.577 -5.687 -5.687 79 1HA GLY 12 HA2 GLY 12 23.206 -7.128 -7.128 80 2HA GLY 12 HA1 GLY 12 22.925 -5.555 -5.555 81 H ASN 13 HN ASN 13 25.571 -6.881 -6.881 82 HA ASN 13 HA ASN 13 24.048 -8.622 -8.622 83 1HB ASN 13 HB2 ASN 13 25.368 -6.297 -6.297 84 2HB ASN 13 HB1 ASN 13 23.979 -7.252 -7.252 85 1HD2 ASN 13 HD22 ASN 13 23.386 -3.864 -3.864 86 2HD2 ASN 13 HD21 ASN 13 24.930 -4.340 -4.340 87 H CYS 14 HN CYS 14 27.042 -6.718 -6.718 88 HA CYS 14 HA CYS 14 28.633 -8.557 -8.557 89 1HB CYS 14 HB2 CYS 14 29.785 -6.721 -6.721 90 2HB CYS 14 HB1 CYS 14 30.450 -7.159 -7.159 91 H ALA 15 HN ALA 15 27.963 -8.168 -8.168 92 HA ALA 15 HA ALA 15 29.899 -9.831 -9.831 93 1HB ALA 15 HB1 ALA 15 27.209 -8.906 -8.906 94 2HB ALA 15 HB3 ALA 15 27.643 -10.453 -10.453 95 3HB ALA 15 HB2 ALA 15 28.662 -9.039 -9.039 96 H ALA 16 HN ALA 16 26.872 -10.767 -10.767 97 HA ALA 16 HA ALA 16 26.861 -13.511 -13.511 98 1HB ALA 16 HB3 ALA 16 25.861 -11.918 -11.918 99 2HB ALA 16 HB2 ALA 16 25.906 -13.673 -13.673 100 3HB ALA 16 HB1 ALA 16 24.964 -12.931 -12.931 101 H CYS 17 HN CYS 17 28.648 -11.799 -11.799 102 HA CYS 17 HA CYS 17 30.225 -14.290 -14.290 103 1HB CYS 17 HB2 CYS 17 29.670 -12.029 -12.029 104 2HB CYS 17 HB1 CYS 17 30.645 -13.442 -13.442 105 H HIS 18 HN HIS 18 30.544 -11.851 -11.851 106 HA HIS 18 HA HIS 18 33.427 -11.570 -11.570 107 1HB HIS 18 HB2 HIS 18 31.548 -9.209 -9.209 108 2HB HIS 18 HB1 HIS 18 33.287 -9.062 -9.062 109 HD1 HIS 18 HD1 HIS 18 34.841 -9.902 -9.902 110 HD2 HIS 18 HD2 HIS 18 30.827 -10.018 -10.018 111 HE1 HIS 18 HE1 HIS 18 34.759 -10.364 -10.364 112 H MET 19 HN MET 19 31.304 -12.320 -12.320 113 HA MET 19 HA MET 19 31.292 -10.460 -10.460 114 1HB MET 19 HB2 MET 19 30.472 -13.098 -13.098 115 2HB MET 19 HB1 MET 19 31.610 -13.141 -13.141 116 1HG MET 19 HG2 MET 19 30.199 -12.031 -12.031 117 2HG MET 19 HG1 MET 19 29.769 -10.864 -10.864 118 1HE MET 19 HE3 MET 19 29.407 -14.381 -14.381 119 2HE MET 19 HE2 MET 19 28.028 -15.082 -15.082 120 3HE MET 19 HE1 MET 19 29.535 -14.806 -14.806 121 H GLY 20 HN GLY 20 32.655 -10.279 -10.279 122 1HA GLY 20 HA2 GLY 20 34.819 -9.917 -9.917 123 2HA GLY 20 HA1 GLY 20 34.966 -11.661 -11.661 124 H GLY 21 HN GLY 21 34.509 -9.340 -9.340 125 1HA GLY 21 HA2 GLY 21 35.789 -9.036 -9.036 126 2HA GLY 21 HA1 GLY 21 37.099 -8.763 -8.763 127 H GLY 22 HN GLY 22 35.232 -11.593 -11.593 128 1HA GLY 22 HA2 GLY 22 37.766 -12.879 -12.879 129 2HA GLY 22 HA1 GLY 22 36.806 -13.717 -13.717 130 H ASN 23 HN ASN 23 36.946 -12.752 -12.752 131 HA ASN 23 HA ASN 23 34.438 -13.271 -13.271 132 1HB ASN 23 HB2 ASN 23 37.013 -13.167 -13.167 133 2HB ASN 23 HB1 ASN 23 36.408 -14.758 -14.758 134 1HD2 ASN 23 HD22 ASN 23 35.254 -12.105 -12.105 135 2HD2 ASN 23 HD21 ASN 23 36.792 -12.505 -12.505 136 H VAL 24 HN VAL 24 33.162 -15.085 -15.085 137 HA VAL 24 HA VAL 24 34.054 -17.585 -17.585 138 HB VAL 24 HB VAL 24 31.755 -18.124 -18.124 139 1HG1 VAL 24 HG12 VAL 24 32.717 -15.467 -15.467 140 2HG1 VAL 24 HG11 VAL 24 30.964 -15.471 -15.471 141 3HG1 VAL 24 HG13 VAL 24 31.726 -16.566 -16.566 142 1HG2 VAL 24 HG22 VAL 24 31.226 -15.962 -15.962 143 2HG2 VAL 24 HG21 VAL 24 30.909 -17.689 -17.689 144 3HG2 VAL 24 HG23 VAL 24 29.958 -16.722 -16.722 145 H VAL 25 HN VAL 25 33.966 -16.284 -16.284 146 HA VAL 25 HA VAL 25 33.383 -18.924 -18.924 147 HB VAL 25 HB VAL 25 33.430 -16.170 -16.170 148 1HG1 VAL 25 HG13 VAL 25 33.468 -18.840 -18.840 149 2HG1 VAL 25 HG12 VAL 25 31.929 -18.077 -18.077 150 3HG1 VAL 25 HG11 VAL 25 33.445 -17.306 -17.306 151 1HG2 VAL 25 HG22 VAL 25 31.521 -17.187 -17.187 152 2HG2 VAL 25 HG21 VAL 25 31.228 -15.952 -15.952 153 3HG2 VAL 25 HG23 VAL 25 30.894 -17.646 -17.646 154 H MET 26 HN MET 26 35.404 -16.059 -16.059 155 HA MET 26 HA MET 26 37.372 -17.628 -17.628 156 1HB MET 26 HB2 MET 26 37.100 -14.822 -14.822 157 2HB MET 26 HB1 MET 26 38.758 -15.402 -15.402 158 1HG MET 26 HG2 MET 26 36.705 -15.901 -15.901 159 2HG MET 26 HG1 MET 26 37.557 -14.358 -14.358 160 1HE MET 26 HE3 MET 26 37.227 -17.261 -17.261 161 2HE MET 26 HE2 MET 26 38.777 -17.996 -17.996 162 3HE MET 26 HE1 MET 26 38.032 -18.334 -18.334 163 H ALA 27 HN ALA 27 39.063 -18.794 -18.794 164 HA ALA 27 HA ALA 27 39.374 -18.946 -18.946 165 1HB ALA 27 HB2 ALA 27 40.427 -20.488 -20.488 166 2HB ALA 27 HB1 ALA 27 41.240 -20.628 -20.628 167 3HB ALA 27 HB3 ALA 27 39.540 -21.073 -21.073 168 H ASN 28 HN ASN 28 40.088 -16.415 -16.415 169 HA ASN 28 HA ASN 28 42.652 -16.055 -16.055 170 1HB ASN 28 HB2 ASN 28 43.776 -15.313 -15.313 171 2HB ASN 28 HB1 ASN 28 43.734 -17.035 -17.035 172 1HD2 ASN 28 HD22 ASN 28 41.796 -15.695 -15.695 173 2HD2 ASN 28 HD21 ASN 28 42.766 -14.671 -14.671 174 H LYS 29 HN LYS 29 40.891 -14.698 -14.698 175 HA LYS 29 HA LYS 29 41.408 -11.984 -11.984 176 1HB LYS 29 HB2 LYS 29 39.239 -13.492 -13.492 177 2HB LYS 29 HB1 LYS 29 38.900 -11.811 -11.811 178 1HG LYS 29 HG2 LYS 29 41.322 -11.430 -11.430 179 2HG LYS 29 HG1 LYS 29 40.960 -12.939 -12.939 180 1HD LYS 29 HD2 LYS 29 38.658 -11.735 -11.735 181 2HD LYS 29 HD1 LYS 29 39.602 -10.274 -10.274 182 1HE LYS 29 HE2 LYS 29 40.132 -10.489 -10.489 183 2HE LYS 29 HE1 LYS 29 41.305 -11.663 -11.663 184 1HZ LYS 29 HZ1 LYS 29 38.758 -12.861 -12.861 185 2HZ LYS 29 HZ3 LYS 29 39.206 -12.131 -12.131 186 3HZ LYS 29 HZ2 LYS 29 40.224 -13.286 -13.286 187 H THR 30 HN THR 30 41.242 -11.232 -11.232 188 HA THR 30 HA THR 30 38.640 -11.702 -11.702 189 HB THR 30 HB THR 30 41.186 -10.799 -10.799 190 HG1 THR 30 HG1 THR 30 41.898 -12.792 -12.792 191 1HG2 THR 30 HG21 THR 30 38.501 -11.748 -11.748 192 2HG2 THR 30 HG23 THR 30 39.838 -12.422 -12.422 193 3HG2 THR 30 HG22 THR 30 39.612 -10.674 -10.674 194 H LEU 31 HN LEU 31 38.294 -9.783 -9.783 195 HA LEU 31 HA LEU 31 38.308 -7.290 -7.290 196 1HB LEU 31 HB2 LEU 31 36.830 -8.251 -8.251 197 2HB LEU 31 HB1 LEU 31 36.908 -6.528 -6.528 198 HG LEU 31 HG LEU 31 35.053 -8.361 -8.361 199 1HD1 LEU 31 HD11 LEU 31 35.065 -5.779 -5.779 200 2HD1 LEU 31 HD13 LEU 31 35.716 -5.814 -5.814 201 3HD1 LEU 31 HD12 LEU 31 34.134 -6.522 -6.522 202 1HD2 LEU 31 HD23 LEU 31 36.870 -9.193 -9.193 203 2HD2 LEU 31 HD22 LEU 31 35.453 -8.553 -8.553 204 3HD2 LEU 31 HD21 LEU 31 36.916 -7.582 -7.582 205 H LYS 32 HN LYS 32 39.909 -8.738 -8.738 206 HA LYS 32 HA LYS 32 40.545 -6.452 -6.452 207 1HB LYS 32 HB2 LYS 32 42.365 -8.836 -8.836 208 2HB LYS 32 HB1 LYS 32 42.369 -7.752 -7.752 209 1HG LYS 32 HG2 LYS 32 40.618 -8.823 -8.823 210 2HG LYS 32 HG1 LYS 32 39.738 -8.936 -8.936 211 1HD LYS 32 HD2 LYS 32 40.320 -11.183 -11.183 212 2HD LYS 32 HD1 LYS 32 41.218 -10.817 -10.817 213 1HE LYS 32 HE2 LYS 32 43.222 -10.369 -10.369 214 2HE LYS 32 HE1 LYS 32 42.360 -10.325 -10.325 215 1HZ LYS 32 HZ2 LYS 32 41.824 -12.676 -12.676 216 2HZ LYS 32 HZ1 LYS 32 42.722 -12.705 -12.705 217 3HZ LYS 32 HZ3 LYS 32 43.503 -12.417 -12.417 218 H LYS 33 HN LYS 33 43.600 -7.573 -7.573 219 HA LYS 33 HA LYS 33 43.904 -5.621 -5.621 220 1HB LYS 33 HB2 LYS 33 44.159 -4.078 -4.078 221 2HB LYS 33 HB1 LYS 33 45.066 -5.227 -5.227 222 1HG LYS 33 HG2 LYS 33 47.025 -4.948 -4.948 223 2HG LYS 33 HG1 LYS 33 46.156 -4.367 -4.367 224 1HD LYS 33 HD2 LYS 33 47.425 -2.585 -2.585 225 2HD LYS 33 HD1 LYS 33 45.717 -2.244 -2.244 226 1HE LYS 33 HE2 LYS 33 45.158 -3.008 -3.008 227 2HE LYS 33 HE1 LYS 33 46.824 -3.513 -3.513 228 1HZ LYS 33 HZ3 LYS 33 46.598 -0.784 -0.784 229 2HZ LYS 33 HZ2 LYS 33 45.790 -1.083 -1.083 230 3HZ LYS 33 HZ1 LYS 33 47.444 -1.440 -1.440 231 H GLU 34 HN GLU 34 45.327 -8.096 -8.096 232 HA GLU 34 HA GLU 34 47.882 -8.249 -8.249 233 1HB GLU 34 HB2 GLU 34 48.054 -10.427 -10.427 234 2HB GLU 34 HB1 GLU 34 47.092 -9.435 -9.435 235 1HG GLU 34 HG2 GLU 34 45.037 -10.363 -10.363 236 2HG GLU 34 HG1 GLU 34 46.140 -11.568 -11.568 237 H ALA 35 HN ALA 35 44.812 -9.482 -9.482 238 HA ALA 35 HA ALA 35 46.232 -10.913 -10.913 239 1HB ALA 35 HB1 ALA 35 44.198 -11.813 -11.813 240 2HB ALA 35 HB3 ALA 35 43.268 -11.023 -11.023 241 3HB ALA 35 HB2 ALA 35 44.413 -12.302 -12.302 242 H LEU 36 HN LEU 36 43.570 -8.578 -8.578 243 HA LEU 36 HA LEU 36 43.201 -8.073 -8.073 244 1HB LEU 36 HB2 LEU 36 42.301 -5.817 -5.817 245 2HB LEU 36 HB1 LEU 36 41.504 -7.274 -7.274 246 HG LEU 36 HG LEU 36 43.820 -6.362 -6.362 247 1HD1 LEU 36 HD12 LEU 36 41.932 -4.452 -4.452 248 2HD1 LEU 36 HD11 LEU 36 41.447 -4.913 -4.913 249 3HD1 LEU 36 HD13 LEU 36 43.075 -4.303 -4.303 250 1HD2 LEU 36 HD22 LEU 36 41.595 -8.074 -8.074 251 2HD2 LEU 36 HD21 LEU 36 42.737 -7.655 -7.655 252 3HD2 LEU 36 HD23 LEU 36 41.254 -6.724 -6.724 253 H GLU 37 HN GLU 37 45.490 -6.701 -6.701 254 HA GLU 37 HA GLU 37 46.462 -4.878 -4.878 255 1HB GLU 37 HB2 GLU 37 47.052 -5.194 -5.194 256 2HB GLU 37 HB1 GLU 37 48.082 -4.206 -4.206 257 1HG GLU 37 HG2 GLU 37 45.303 -3.636 -3.636 258 2HG GLU 37 HG1 GLU 37 45.624 -3.455 -3.455 259 H GLN 38 HN GLN 38 46.860 -8.010 -8.010 260 HA GLN 38 HA GLN 38 49.764 -8.177 -8.177 261 1HB GLN 38 HB2 GLN 38 48.775 -9.899 -9.899 262 2HB GLN 38 HB1 GLN 38 47.511 -10.197 -10.197 263 1HG GLN 38 HG2 GLN 38 49.149 -11.948 -11.948 264 2HG GLN 38 HG1 GLN 38 49.327 -10.865 -10.865 265 1HE2 GLN 38 HE22 GLN 38 52.388 -9.400 -9.400 266 2HE2 GLN 38 HE21 GLN 38 50.990 -8.999 -8.999 267 H PHE 39 HN PHE 39 46.818 -9.065 -9.065 268 HA PHE 39 HA PHE 39 48.332 -9.366 -9.366 269 1HB PHE 39 HB2 PHE 39 45.631 -9.455 -9.455 270 2HB PHE 39 HB1 PHE 39 46.709 -10.823 -10.823 271 HD1 PHE 39 HD1 PHE 39 44.065 -8.775 -8.775 272 HD2 PHE 39 HD2 PHE 39 46.695 -12.161 -12.161 273 HE1 PHE 39 HE1 PHE 39 42.721 -9.615 -9.615 274 HE2 PHE 39 HE2 PHE 39 45.347 -12.981 -12.981 275 HZ PHE 39 HZ PHE 39 43.359 -11.708 -11.708 276 H GLY 40 HN GLY 40 45.678 -7.308 -7.308 277 1HA GLY 40 HA2 GLY 40 46.197 -4.825 -4.825 278 2HA GLY 40 HA1 GLY 40 46.322 -5.406 -5.406 279 H MET 41 HN MET 41 44.127 -4.737 -4.737 280 HA MET 41 HA MET 41 41.902 -4.292 -4.292 281 1HB MET 41 HB2 MET 41 40.492 -6.164 -6.164 282 2HB MET 41 HB1 MET 41 41.938 -6.760 -6.760 283 1HG MET 41 HG2 MET 41 42.422 -7.944 -7.944 284 2HG MET 41 HG1 MET 41 42.670 -6.420 -6.420 285 1HE MET 41 HE2 MET 41 41.067 -9.416 -9.416 286 2HE MET 41 HE1 MET 41 40.935 -9.568 -9.568 287 3HE MET 41 HE3 MET 41 39.476 -9.484 -9.484 288 H TYR 42 HN TYR 42 43.354 -3.193 -3.193 289 HA TYR 42 HA TYR 42 41.137 -3.163 -3.163 290 1HB TYR 42 HB2 TYR 42 43.432 -3.832 -3.832 291 2HB TYR 42 HB1 TYR 42 44.003 -2.220 -2.220 292 HD1 TYR 42 HD1 TYR 42 40.631 -2.676 -2.676 293 HD2 TYR 42 HD2 TYR 42 44.718 -1.692 -1.692 294 HE1 TYR 42 HE1 TYR 42 39.948 -1.804 -1.804 295 HE2 TYR 42 HE2 TYR 42 44.031 -0.819 -0.819 296 HH TYR 42 HH TYR 42 41.981 0.095 0.095 297 H SER 43 HN SER 43 41.219 -1.606 -1.606 298 HA SER 43 HA SER 43 41.414 1.175 1.175 299 1HB SER 43 HB2 SER 43 41.718 1.894 1.894 300 2HB SER 43 HB1 SER 43 42.649 0.397 0.397 301 HG SER 43 HG SER 43 41.441 -0.323 -0.323 302 H GLU 44 HN GLU 44 39.614 2.548 2.548 303 HA GLU 44 HA GLU 44 37.014 1.552 1.552 304 1HB GLU 44 HB2 GLU 44 36.330 3.930 3.930 305 2HB GLU 44 HB1 GLU 44 37.327 3.775 3.775 306 1HG GLU 44 HG2 GLU 44 39.145 3.880 3.880 307 2HG GLU 44 HG1 GLU 44 37.931 5.102 5.102 308 H ASP 45 HN ASP 45 38.323 3.173 3.173 309 HA ASP 45 HA ASP 45 36.174 2.681 2.681 310 1HB ASP 45 HB2 ASP 45 38.333 3.966 3.966 311 2HB ASP 45 HB1 ASP 45 38.989 2.403 2.403 312 H ALA 46 HN ALA 46 38.592 0.401 0.401 313 HA ALA 46 HA ALA 46 38.015 -1.643 -1.643 314 1HB ALA 46 HB2 ALA 46 39.630 -1.400 -1.400 315 2HB ALA 46 HB1 ALA 46 38.987 -3.016 -3.016 316 3HB ALA 46 HB3 ALA 46 39.993 -2.238 -2.238 317 H ILE 47 HN ILE 47 37.452 -1.928 -1.928 318 HA ILE 47 HA ILE 47 35.435 -3.910 -3.910 319 HB ILE 47 HB ILE 47 36.724 -3.411 -3.411 320 1HG1 ILE 47 HG12 ILE 47 33.706 -3.284 -3.284 321 2HG1 ILE 47 HG11 ILE 47 34.719 -4.719 -4.719 322 1HG2 ILE 47 HG22 ILE 47 36.060 -0.810 -0.810 323 2HG2 ILE 47 HG21 ILE 47 34.886 -1.241 -1.241 324 3HG2 ILE 47 HG23 ILE 47 36.611 -1.423 -1.423 325 1HD1 ILE 47 HD13 ILE 47 35.735 -3.774 -3.774 326 2HD1 ILE 47 HD12 ILE 47 34.663 -2.383 -2.383 327 3HD1 ILE 47 HD11 ILE 47 33.992 -3.981 -3.981 328 H ILE 48 HN ILE 48 35.308 -0.589 -0.589 329 HA ILE 48 HA ILE 48 32.524 -0.145 -0.145 330 HB ILE 48 HB ILE 48 34.613 1.366 1.366 331 1HG1 ILE 48 HG12 ILE 48 32.897 2.068 2.068 332 2HG1 ILE 48 HG11 ILE 48 34.546 1.475 1.475 333 1HG2 ILE 48 HG22 ILE 48 31.645 1.756 1.756 334 2HG2 ILE 48 HG21 ILE 48 32.700 3.168 3.168 335 3HG2 ILE 48 HG23 ILE 48 32.801 1.982 1.982 336 1HD1 ILE 48 HD11 ILE 48 33.718 3.978 3.978 337 2HD1 ILE 48 HD13 ILE 48 34.362 3.979 3.979 338 3HD1 ILE 48 HD12 ILE 48 35.365 3.429 3.429 339 H TYR 49 HN TYR 49 34.317 -1.139 -1.139 340 HA TYR 49 HA TYR 49 31.817 -1.312 -1.312 341 1HB TYR 49 HB2 TYR 49 33.870 -0.497 -0.497 342 2HB TYR 49 HB1 TYR 49 34.684 -2.013 -2.013 343 HD1 TYR 49 HD1 TYR 49 33.770 -4.186 -4.186 344 HD2 TYR 49 HD2 TYR 49 32.372 -0.347 -0.347 345 HE1 TYR 49 HE1 TYR 49 32.779 -5.239 -5.239 346 HE2 TYR 49 HE2 TYR 49 31.377 -1.399 -1.399 347 HH TYR 49 HH TYR 49 30.580 -4.277 -4.277 348 H GLN 50 HN GLN 50 33.733 -3.197 -3.197 349 HA GLN 50 HA GLN 50 32.875 -5.756 -5.756 350 1HB GLN 50 HB2 GLN 50 34.996 -6.073 -6.073 351 2HB GLN 50 HB1 GLN 50 34.795 -4.863 -4.863 352 1HG GLN 50 HG2 GLN 50 34.803 -6.741 -6.741 353 2HG GLN 50 HG1 GLN 50 33.087 -6.695 -6.695 354 1HE2 GLN 50 HE22 GLN 50 35.248 -9.276 -9.276 355 2HE2 GLN 50 HE21 GLN 50 35.834 -7.706 -7.706 356 H VAL 51 HN VAL 51 31.819 -3.417 -3.417 357 HA VAL 51 HA VAL 51 30.052 -5.283 -5.283 358 HB VAL 51 HB VAL 51 30.530 -2.301 -2.301 359 1HG1 VAL 51 HG12 VAL 51 28.604 -4.132 -4.132 360 2HG1 VAL 51 HG11 VAL 51 29.190 -2.653 -2.653 361 3HG1 VAL 51 HG13 VAL 51 28.286 -2.569 -2.569 362 1HG2 VAL 51 HG23 VAL 51 32.183 -4.219 -4.219 363 2HG2 VAL 51 HG22 VAL 51 31.894 -2.767 -2.767 364 3HG2 VAL 51 HG21 VAL 51 31.043 -4.263 -4.263 365 H GLN 52 HN GLN 52 29.847 -2.465 -2.465 366 HA GLN 52 HA GLN 52 27.018 -2.226 -2.226 367 1HB GLN 52 HB2 GLN 52 29.272 -1.100 -1.100 368 2HB GLN 52 HB1 GLN 52 28.073 -1.548 -1.548 369 1HG GLN 52 HG2 GLN 52 26.368 -0.397 -0.397 370 2HG GLN 52 HG1 GLN 52 27.786 0.395 0.395 371 1HE2 GLN 52 HE22 GLN 52 28.536 1.709 1.709 372 2HE2 GLN 52 HE21 GLN 52 29.324 0.588 0.588 373 H HIS 53 HN HIS 53 29.026 -4.693 -4.693 374 HA HIS 53 HA HIS 53 26.762 -5.856 -5.856 375 1HB HIS 53 HB2 HIS 53 29.112 -5.966 -5.966 376 2HB HIS 53 HB1 HIS 53 27.468 -5.580 -5.580 377 HD1 HIS 53 HD1 HIS 53 27.626 -3.393 -3.393 378 HD2 HIS 53 HD2 HIS 53 29.979 -3.416 -3.416 379 HE1 HIS 53 HE1 HIS 53 28.656 -1.087 -1.087 380 H GLY 54 HN GLY 54 28.530 -6.458 -6.458 381 1HA GLY 54 HA2 GLY 54 29.851 -8.244 -8.244 382 2HA GLY 54 HA1 GLY 54 28.932 -9.198 -9.198 383 H LYS 55 HN LYS 55 30.368 -10.293 -10.293 384 HA LYS 55 HA LYS 55 31.854 -9.699 -9.699 385 1HB LYS 55 HB2 LYS 55 33.166 -8.499 -8.499 386 2HB LYS 55 HB1 LYS 55 34.221 -9.616 -9.616 387 1HG LYS 55 HG2 LYS 55 34.129 -7.115 -7.115 388 2HG LYS 55 HG1 LYS 55 34.161 -8.412 -8.412 389 1HD LYS 55 HD2 LYS 55 31.422 -7.894 -7.894 390 2HD LYS 55 HD1 LYS 55 32.204 -6.364 -6.364 391 1HE LYS 55 HE2 LYS 55 32.927 -7.190 -7.190 392 2HE LYS 55 HE1 LYS 55 32.402 -8.827 -8.827 393 1HZ LYS 55 HZ1 LYS 55 30.453 -6.632 -6.632 394 2HZ LYS 55 HZ3 LYS 55 30.890 -7.271 -7.271 395 3HZ LYS 55 HZ2 LYS 55 30.206 -8.281 -8.281 396 H ASN 56 HN ASN 56 32.358 -11.657 -11.657 397 HA ASN 56 HA ASN 56 33.060 -13.882 -13.882 398 1HB ASN 56 HB2 ASN 56 34.119 -13.394 -13.394 399 2HB ASN 56 HB1 ASN 56 34.563 -14.721 -14.721 400 1HD2 ASN 56 HD22 ASN 56 36.302 -11.076 -11.076 401 2HD2 ASN 56 HD21 ASN 56 35.126 -11.348 -11.348 402 H ALA 57 HN ALA 57 32.493 -13.804 -13.804 403 HA ALA 57 HA ALA 57 29.959 -15.311 -15.311 404 1HB ALA 57 HB2 ALA 57 32.384 -16.153 -16.153 405 2HB ALA 57 HB1 ALA 57 30.942 -16.262 -16.262 406 3HB ALA 57 HB3 ALA 57 31.007 -17.117 -17.117 407 H MET 58 HN MET 58 30.938 -12.463 -12.463 408 HA MET 58 HA MET 58 29.681 -12.311 -12.311 409 1HB MET 58 HB2 MET 58 31.746 -11.031 -11.031 410 2HB MET 58 HB1 MET 58 30.865 -10.113 -10.113 411 1HG MET 58 HG2 MET 58 29.291 -9.333 -9.333 412 2HG MET 58 HG1 MET 58 30.197 -10.246 -10.246 413 1HE MET 58 HE2 MET 58 29.905 -7.913 -7.913 414 2HE MET 58 HE1 MET 58 30.830 -6.471 -6.471 415 3HE MET 58 HE3 MET 58 29.462 -6.970 -6.970 416 HA PRO 59 HA PRO 59 25.739 -11.326 -11.326 417 1HB PRO 59 HB2 PRO 59 24.678 -10.234 -10.234 418 2HB PRO 59 HB1 PRO 59 24.848 -11.969 -11.969 419 1HG PRO 59 HG2 PRO 59 26.445 -10.165 -10.165 420 2HG PRO 59 HG1 PRO 59 26.169 -11.906 -11.906 421 1HD PRO 59 HD2 PRO 59 28.493 -10.677 -10.677 422 2HD PRO 59 HD1 PRO 59 28.085 -12.387 -12.387 423 H ALA 60 HN ALA 60 26.040 -9.672 -9.672 424 HA ALA 60 HA ALA 60 26.660 -6.981 -6.981 425 1HB ALA 60 HB1 ALA 60 24.741 -8.428 -8.428 426 2HB ALA 60 HB3 ALA 60 24.938 -6.679 -6.679 427 3HB ALA 60 HB2 ALA 60 26.315 -7.740 -7.740 428 H PHE 61 HN PHE 61 25.756 -5.500 -5.500 429 HA PHE 61 HA PHE 61 23.048 -5.984 -5.984 430 1HB PHE 61 HB2 PHE 61 25.186 -3.977 -3.977 431 2HB PHE 61 HB1 PHE 61 23.560 -3.913 -3.913 432 HD1 PHE 61 HD1 PHE 61 22.655 -6.240 -6.240 433 HD2 PHE 61 HD2 PHE 61 26.804 -5.244 -5.244 434 HE1 PHE 61 HE1 PHE 61 23.272 -8.018 -8.018 435 HE2 PHE 61 HE2 PHE 61 27.421 -7.022 -7.022 436 HZ PHE 61 HZ PHE 61 25.655 -8.409 -8.409 437 H ALA 62 HN ALA 62 24.840 -3.406 -3.406 438 HA ALA 62 HA ALA 62 23.940 -1.431 -1.431 439 1HB ALA 62 HB3 ALA 62 23.493 -3.925 -3.925 440 2HB ALA 62 HB2 ALA 62 22.357 -2.664 -2.664 441 3HB ALA 62 HB1 ALA 62 24.092 -2.375 -2.375 442 H GLY 63 HN GLY 63 22.353 -1.986 -1.986 443 1HA GLY 63 HA2 GLY 63 20.054 -0.460 -0.460 444 2HA GLY 63 HA1 GLY 63 19.550 -2.130 -2.130 445 H ARG 64 HN ARG 64 21.662 -3.045 -3.045 446 HA ARG 64 HA ARG 64 19.980 -2.620 -2.620 447 1HB ARG 64 HB2 ARG 64 20.743 -4.946 -4.946 448 2HB ARG 64 HB1 ARG 64 22.384 -4.447 -4.447 449 1HG ARG 64 HG2 ARG 64 20.117 -4.149 -4.149 450 2HG ARG 64 HG1 ARG 64 20.972 -5.682 -5.682 451 1HD ARG 64 HD2 ARG 64 22.675 -4.893 -4.893 452 2HD ARG 64 HD1 ARG 64 22.898 -3.553 -3.553 453 HE ARG 64 HE ARG 64 21.979 -2.217 -2.217 454 1HH1 ARG 64 HH11 ARG 64 20.868 -5.460 -5.460 455 2HH1 ARG 64 HH12 ARG 64 19.644 -5.091 -5.091 456 1HH2 ARG 64 HH21 ARG 64 20.263 -1.679 -1.679 457 2HH2 ARG 64 HH22 ARG 64 19.303 -2.951 -2.951 458 H LEU 65 HN LEU 65 23.123 -1.979 -1.979 459 HA LEU 65 HA LEU 65 24.102 -0.761 -0.761 460 1HB LEU 65 HB2 LEU 65 25.265 -1.530 -1.530 461 2HB LEU 65 HB1 LEU 65 26.009 -0.176 -0.176 462 HG LEU 65 HG LEU 65 26.902 -2.581 -2.581 463 1HD1 LEU 65 HD11 LEU 65 27.121 -0.297 -0.297 464 2HD1 LEU 65 HD13 LEU 65 26.160 -1.177 -1.177 465 3HD1 LEU 65 HD12 LEU 65 27.723 -1.810 -1.810 466 1HD2 LEU 65 HD23 LEU 65 24.434 -3.329 -3.329 467 2HD2 LEU 65 HD22 LEU 65 25.710 -3.950 -3.950 468 3HD2 LEU 65 HD21 LEU 65 24.683 -2.627 -2.627 469 H THR 66 HN THR 66 22.764 1.071 1.071 470 HA THR 66 HA THR 66 21.774 2.831 2.831 471 HB THR 66 HB THR 66 23.063 3.492 3.492 472 HG1 THR 66 HG1 THR 66 21.270 2.560 2.560 473 1HG2 THR 66 HG21 THR 66 21.394 5.214 5.214 474 2HG2 THR 66 HG23 THR 66 21.757 5.611 5.611 475 3HG2 THR 66 HG22 THR 66 23.061 5.506 5.506 476 H ASP 67 HN ASP 67 22.715 5.085 5.085 477 HA ASP 67 HA ASP 67 25.061 4.739 4.739 478 1HB ASP 67 HB2 ASP 67 25.104 7.397 7.397 479 2HB ASP 67 HB1 ASP 67 23.882 6.584 6.584 480 H GLU 68 HN GLU 68 24.695 6.706 6.706 481 HA GLU 68 HA GLU 68 27.472 7.062 7.062 482 1HB GLU 68 HB2 GLU 68 25.222 6.908 6.908 483 2HB GLU 68 HB1 GLU 68 26.759 7.761 7.761 484 1HG GLU 68 HG2 GLU 68 25.701 8.752 8.752 485 2HG GLU 68 HG1 GLU 68 24.310 8.639 8.639 486 H GLN 69 HN GLN 69 25.936 4.183 4.183 487 HA GLN 69 HA GLN 69 27.327 2.891 2.891 488 1HB GLN 69 HB2 GLN 69 24.887 2.421 2.421 489 2HB GLN 69 HB1 GLN 69 25.847 0.967 0.967 490 1HG GLN 69 HG2 GLN 69 24.375 1.116 1.116 491 2HG GLN 69 HG1 GLN 69 25.954 1.647 1.647 492 1HE2 GLN 69 HE22 GLN 69 24.884 5.110 5.110 493 2HE2 GLN 69 HE21 GLN 69 26.238 4.181 4.181 494 H ILE 70 HN ILE 70 26.880 2.622 2.622 495 HA ILE 70 HA ILE 70 28.755 0.498 0.498 496 HB ILE 70 HB ILE 70 28.355 2.881 2.881 497 1HG1 ILE 70 HG12 ILE 70 26.228 1.676 1.676 498 2HG1 ILE 70 HG11 ILE 70 26.640 1.563 1.563 499 1HG2 ILE 70 HG23 ILE 70 30.328 1.152 1.152 500 2HG2 ILE 70 HG22 ILE 70 29.069 0.084 0.084 501 3HG2 ILE 70 HG21 ILE 70 29.410 1.612 1.612 502 1HD1 ILE 70 HD11 ILE 70 27.318 -0.545 -0.545 503 2HD1 ILE 70 HD13 ILE 70 25.945 -0.631 -0.631 504 3HD1 ILE 70 HD12 ILE 70 27.589 -0.663 -0.663 505 H GLN 71 HN GLN 71 28.974 3.788 3.788 506 HA GLN 71 HA GLN 71 31.853 3.995 3.995 507 1HB GLN 71 HB2 GLN 71 29.601 5.781 5.781 508 2HB GLN 71 HB1 GLN 71 31.263 6.253 6.253 509 1HG GLN 71 HG2 GLN 71 30.582 7.229 7.229 510 2HG GLN 71 HG1 GLN 71 31.765 5.963 5.963 511 1HE2 GLN 71 HE22 GLN 71 27.948 5.557 5.557 512 2HE2 GLN 71 HE21 GLN 71 28.403 6.899 6.899 513 H ASP 72 HN ASP 72 29.634 4.678 4.678 514 HA ASP 72 HA ASP 72 31.376 4.610 4.610 515 1HB ASP 72 HB2 ASP 72 28.481 3.871 3.871 516 2HB ASP 72 HB1 ASP 72 29.290 3.673 3.673 517 H VAL 73 HN VAL 73 29.310 1.881 1.881 518 HA VAL 73 HA VAL 73 30.336 -0.074 -0.074 519 HB VAL 73 HB VAL 73 28.501 -0.256 -0.256 520 1HG1 VAL 73 HG11 VAL 73 30.486 0.207 0.207 521 2HG1 VAL 73 HG13 VAL 73 30.569 -1.553 -1.553 522 3HG1 VAL 73 HG12 VAL 73 29.067 -0.757 -0.757 523 1HG2 VAL 73 HG21 VAL 73 30.517 -2.416 -2.416 524 2HG2 VAL 73 HG23 VAL 73 28.986 -2.113 -2.113 525 3HG2 VAL 73 HG22 VAL 73 28.996 -2.737 -2.737 526 H ALA 74 HN ALA 74 31.853 1.369 1.369 527 HA ALA 74 HA ALA 74 34.028 -0.610 -0.610 528 1HB ALA 74 HB1 ALA 74 33.639 2.100 2.100 529 2HB ALA 74 HB3 ALA 74 35.035 1.061 1.061 530 3HB ALA 74 HB2 ALA 74 33.421 0.516 0.516 531 H ALA 75 HN ALA 75 34.248 2.953 2.953 532 HA ALA 75 HA ALA 75 36.716 3.027 3.027 533 1HB ALA 75 HB2 ALA 75 34.246 4.689 4.689 534 2HB ALA 75 HB1 ALA 75 35.321 4.894 4.894 535 3HB ALA 75 HB3 ALA 75 35.926 5.180 5.180 536 H TYR 76 HN TYR 76 33.674 1.860 1.860 537 HA TYR 76 HA TYR 76 33.953 1.735 1.735 538 1HB TYR 76 HB2 TYR 76 31.799 1.346 1.346 539 2HB TYR 76 HB1 TYR 76 32.493 -0.105 -0.105 540 HD1 TYR 76 HD1 TYR 76 33.833 -0.771 -0.771 541 HD2 TYR 76 HD2 TYR 76 29.998 -0.056 -0.056 542 HE1 TYR 76 HE1 TYR 76 32.886 -2.124 -2.124 543 HE2 TYR 76 HE2 TYR 76 29.062 -1.426 -1.426 544 HH TYR 76 HH TYR 76 30.888 -3.415 -3.415 545 H VAL 77 HN VAL 77 34.547 -0.783 -0.783 546 HA VAL 77 HA VAL 77 35.880 -2.547 -2.547 547 HB VAL 77 HB VAL 77 35.125 -3.395 -3.395 548 1HG1 VAL 77 HG12 VAL 77 36.753 -1.120 -1.120 549 2HG1 VAL 77 HG11 VAL 77 36.468 -2.513 -2.513 550 3HG1 VAL 77 HG13 VAL 77 35.103 -1.590 -1.590 551 1HG2 VAL 77 HG22 VAL 77 37.929 -3.547 -3.547 552 2HG2 VAL 77 HG21 VAL 77 36.891 -4.814 -4.814 553 3HG2 VAL 77 HG23 VAL 77 37.741 -3.728 -3.728 554 H LEU 78 HN LEU 78 36.901 0.296 0.296 555 HA LEU 78 HA LEU 78 39.760 -0.182 -0.182 556 1HB LEU 78 HB2 LEU 78 38.498 2.527 2.527 557 2HB LEU 78 HB1 LEU 78 40.071 1.961 1.961 558 HG LEU 78 HG LEU 78 37.342 1.286 1.286 559 1HD1 LEU 78 HD11 LEU 78 39.225 3.139 3.139 560 2HD1 LEU 78 HD13 LEU 78 39.682 1.771 1.771 561 3HD1 LEU 78 HD12 LEU 78 38.052 2.437 2.437 562 1HD2 LEU 78 HD21 LEU 78 38.594 -0.839 -0.839 563 2HD2 LEU 78 HD23 LEU 78 38.375 -0.470 -0.470 564 3HD2 LEU 78 HD22 LEU 78 39.934 -0.180 -0.180 565 H ASP 79 HN ASP 79 37.299 0.750 0.750 566 HA ASP 79 HA ASP 79 39.023 2.296 2.296 567 1HB ASP 79 HB2 ASP 79 36.427 2.617 2.617 568 2HB ASP 79 HB1 ASP 79 36.237 1.637 1.637 569 H GLN 80 HN GLN 80 36.996 -0.577 -0.577 570 HA GLN 80 HA GLN 80 37.453 -1.503 -1.503 571 1HB GLN 80 HB2 GLN 80 36.783 -3.131 -3.131 572 2HB GLN 80 HB1 GLN 80 36.411 -3.519 -3.519 573 1HG GLN 80 HG2 GLN 80 35.292 -1.287 -1.287 574 2HG GLN 80 HG1 GLN 80 34.407 -2.629 -2.629 575 1HE2 GLN 80 HE22 GLN 80 34.294 0.578 0.578 576 2HE2 GLN 80 HE21 GLN 80 34.177 0.400 0.400 577 H ALA 81 HN ALA 81 39.033 -2.275 -2.275 578 HA ALA 81 HA ALA 81 40.687 -4.373 -4.373 579 1HB ALA 81 HB3 ALA 81 40.305 -3.609 -3.609 580 2HB ALA 81 HB2 ALA 81 41.581 -2.434 -2.434 581 3HB ALA 81 HB1 ALA 81 41.922 -4.158 -4.158 582 H ALA 82 HN ALA 82 41.304 -0.891 -0.891 583 HA ALA 82 HA ALA 82 43.828 -1.157 -1.157 584 1HB ALA 82 HB3 ALA 82 42.383 1.066 1.066 585 2HB ALA 82 HB2 ALA 82 43.633 1.468 1.468 586 3HB ALA 82 HB1 ALA 82 44.035 0.492 0.492 587 H LYS 83 HN LYS 83 40.797 -1.331 -1.331 588 HA LYS 83 HA LYS 83 41.474 0.189 0.189 589 1HB LYS 83 HB2 LYS 83 39.761 1.443 1.443 590 2HB LYS 83 HB1 LYS 83 38.753 -0.002 -0.002 591 1HG LYS 83 HG2 LYS 83 38.178 0.099 0.099 592 2HG LYS 83 HG1 LYS 83 39.695 0.872 0.872 593 1HD LYS 83 HD2 LYS 83 38.933 2.991 2.991 594 2HD LYS 83 HD1 LYS 83 37.849 2.406 2.406 595 1HE LYS 83 HE2 LYS 83 37.234 1.530 1.530 596 2HE LYS 83 HE1 LYS 83 36.966 3.235 3.235 597 1HZ LYS 83 HZ1 LYS 83 35.942 1.954 1.954 598 2HZ LYS 83 HZ3 LYS 83 35.502 0.935 0.935 599 3HZ LYS 83 HZ2 LYS 83 35.043 2.571 2.571 600 H GLY 84 HN GLY 84 41.316 -2.815 -2.815 601 1HA GLY 84 HA2 GLY 84 41.093 -4.763 -4.763 602 2HA GLY 84 HA1 GLY 84 40.471 -3.754 -3.754 603 H TRP 85 HN TRP 85 39.652 -5.085 -5.085 604 HA TRP 85 HA TRP 85 36.999 -4.544 -4.544 605 1HB TRP 85 HB2 TRP 85 38.619 -7.003 -7.003 606 2HB TRP 85 HB1 TRP 85 36.880 -7.250 -7.250 607 HD1 TRP 85 HD1 TRP 85 39.619 -6.387 -6.387 608 HE1 TRP 85 HE1 TRP 85 38.694 -5.425 -5.425 609 HE3 TRP 85 HE3 TRP 85 34.812 -5.492 -5.492 610 HZ2 TRP 85 HZ2 TRP 85 36.234 -4.434 -4.434 611 HZ3 TRP 85 HZ3 TRP 85 33.206 -4.508 -4.508 612 HH2 TRP 85 HH2 TRP 85 33.891 -3.988 -3.988 613 H ALA 86 HN ALA 86 35.941 -4.037 -4.037 614 HA ALA 86 HA ALA 86 35.748 -5.582 -5.582 615 1HB ALA 86 HB2 ALA 86 34.642 -3.216 -3.216 616 2HB ALA 86 HB1 ALA 86 33.231 -4.267 -4.267 617 3HB ALA 86 HB3 ALA 86 34.256 -4.005 -4.005 618 H GLY 87 HN GLY 87 33.910 -5.785 -5.785 619 1HA GLY 87 HA2 GLY 87 32.264 -7.333 -7.333 620 2HA GLY 87 HA1 GLY 87 33.416 -8.494 -8.494 621 HHA HEC 88 HA HEM 88 35.934 -10.526 -10.526 622 HHB HEC 88 HB HEM 88 33.830 -5.781 -5.781 623 HHC HEC 88 HC HEM 88 28.199 -8.698 -8.698 624 HHD HEC 88 HD HEM 88 30.661 -13.775 -13.775 625 1HMA HEC 88 HMA1 HEM 88 37.402 -6.443 -6.443 626 2HMA HEC 88 HMA2 HEM 88 35.890 -5.617 -5.617 627 3HMA HEC 88 HMA3 HEM 88 36.540 -5.307 -5.307 628 1HAA HEC 88 HAA1 HEM 88 37.640 -9.327 -9.327 629 2HAA HEC 88 HAA2 HEM 88 38.053 -7.687 -7.687 630 1HBA HEC 88 HBA1 HEM 88 36.236 -7.999 -7.999 631 2HBA HEC 88 HBA2 HEM 88 37.253 -6.589 -6.589 632 1HMB HEC 88 HMB1 HEM 88 31.117 -4.061 -4.061 633 2HMB HEC 88 HMB2 HEM 88 32.765 -4.766 -4.766 634 3HMB HEC 88 HMB3 HEM 88 31.468 -5.078 -5.078 635 HAB HEC 88 HAB HEM 88 27.958 -6.846 -6.846 636 1HBB HEC 88 HBB1 HEM 88 27.843 -4.193 -4.193 637 2HBB HEC 88 HBB2 HEM 88 27.961 -5.391 -5.391 638 3HBB HEC 88 HBB3 HEM 88 29.435 -4.511 -4.511 639 1HMC HEC 88 HMC1 HEM 88 26.413 -12.049 -12.049 640 2HMC HEC 88 HMC2 HEM 88 26.350 -10.334 -10.334 641 3HMC HEC 88 HMC3 HEM 88 27.005 -10.721 -10.721 642 HAC HEC 88 HAC HEM 88 29.229 -14.358 -14.358 643 1HBC HEC 88 HBC1 HEM 88 27.219 -13.845 -13.845 644 2HBC HEC 88 HBC2 HEM 88 26.909 -15.150 -15.150 645 3HBC HEC 88 HBC3 HEM 88 26.283 -13.484 -13.484 646 1HMD HEC 88 HMD1 HEM 88 33.599 -15.362 -15.362 647 2HMD HEC 88 HMD2 HEM 88 31.833 -15.017 -15.017 648 3HMD HEC 88 HMD3 HEM 88 32.667 -14.691 -14.691 649 1HAD HEC 88 HAD1 HEM 88 35.528 -14.098 -14.098 650 2HAD HEC 88 HAD2 HEM 88 36.276 -12.469 -12.469 651 1HBD HEC 88 HBD1 HEM 88 34.799 -13.633 -13.633 652 2HBD HEC 88 HBD2 HEM 88 34.336 -11.938 -11.938 Start of MODEL 19 1 1H ALA 1 HT2 ALA 1 32.641 8.685 8.685 2 2H ALA 1 HT1 ALA 1 33.877 9.694 9.694 3 3H ALA 1 HT3 ALA 1 32.663 9.149 9.149 4 HA ALA 1 HA ALA 1 31.535 10.991 10.991 5 1HB ALA 1 HB3 ALA 1 33.711 11.990 11.990 6 2HB ALA 1 HB2 ALA 1 33.420 11.447 11.447 7 3HB ALA 1 HB1 ALA 1 32.360 12.652 12.652 8 H ASP 2 HN ASP 2 32.414 9.565 9.565 9 HA ASP 2 HA ASP 2 29.491 9.607 9.607 10 1HB ASP 2 HB2 ASP 2 31.835 9.799 9.799 11 2HB ASP 2 HB1 ASP 2 30.125 9.811 9.811 12 H LEU 3 HN LEU 3 32.450 7.739 7.739 13 HA LEU 3 HA LEU 3 31.446 5.531 5.531 14 1HB LEU 3 HB2 LEU 3 33.618 5.521 5.521 15 2HB LEU 3 HB1 LEU 3 33.347 4.267 4.267 16 HG LEU 3 HG LEU 3 33.499 6.762 6.762 17 1HD1 LEU 3 HD12 LEU 3 35.234 6.582 6.582 18 2HD1 LEU 3 HD11 LEU 3 36.127 6.839 6.839 19 3HD1 LEU 3 HD13 LEU 3 34.867 7.974 7.974 20 1HD2 LEU 3 HD21 LEU 3 35.201 4.282 4.282 21 2HD2 LEU 3 HD23 LEU 3 34.149 4.773 4.773 22 3HD2 LEU 3 HD22 LEU 3 35.673 5.616 5.616 23 H ALA 4 HN ALA 4 30.437 6.698 6.698 24 HA ALA 4 HA ALA 4 30.020 4.231 4.231 25 1HB ALA 4 HB1 ALA 4 29.624 6.943 6.943 26 2HB ALA 4 HB3 ALA 4 27.995 6.270 6.270 27 3HB ALA 4 HB2 ALA 4 29.195 5.597 5.597 28 H ASN 5 HN ASN 5 28.709 5.721 5.721 29 HA ASN 5 HA ASN 5 26.094 4.402 4.402 30 1HB ASN 5 HB2 ASN 5 27.316 6.579 6.579 31 2HB ASN 5 HB1 ASN 5 26.730 5.425 5.425 32 1HD2 ASN 5 HD22 ASN 5 23.856 6.755 6.755 33 2HD2 ASN 5 HD21 ASN 5 25.381 6.284 6.284 34 H GLY 6 HN GLY 6 29.014 3.181 3.181 35 1HA GLY 6 HA2 GLY 6 28.407 1.468 1.468 36 2HA GLY 6 HA1 GLY 6 30.020 1.752 1.752 37 H ALA 7 HN ALA 7 29.290 1.471 1.471 38 HA ALA 7 HA ALA 7 29.568 -1.319 -1.319 39 1HB ALA 7 HB3 ALA 7 29.361 1.019 1.019 40 2HB ALA 7 HB2 ALA 7 28.379 -0.285 -0.285 41 3HB ALA 7 HB1 ALA 7 30.099 -0.541 -0.541 42 H LYS 8 HN LYS 8 26.787 0.460 0.460 43 HA LYS 8 HA LYS 8 24.959 -1.507 -1.507 44 1HB LYS 8 HB2 LYS 8 23.288 0.003 0.003 45 2HB LYS 8 HB1 LYS 8 24.622 1.135 1.135 46 1HG LYS 8 HG2 LYS 8 24.593 0.256 0.256 47 2HG LYS 8 HG1 LYS 8 22.916 -0.106 -0.106 48 1HD LYS 8 HD2 LYS 8 23.255 2.184 2.184 49 2HD LYS 8 HD1 LYS 8 22.524 2.202 2.202 50 1HE LYS 8 HE2 LYS 8 25.454 2.200 2.200 51 2HE LYS 8 HE1 LYS 8 24.784 3.620 3.620 52 1HZ LYS 8 HZ1 LYS 8 23.265 3.067 3.067 53 2HZ LYS 8 HZ3 LYS 8 24.903 3.110 3.110 54 3HZ LYS 8 HZ2 LYS 8 24.199 4.444 4.444 55 H VAL 9 HN VAL 9 26.486 -0.579 -0.579 56 HA VAL 9 HA VAL 9 25.100 -2.414 -2.414 57 HB VAL 9 HB VAL 9 27.821 -1.180 -1.180 58 1HG1 VAL 9 HG11 VAL 9 25.469 -1.883 -1.883 59 2HG1 VAL 9 HG13 VAL 9 26.936 -1.078 -1.078 60 3HG1 VAL 9 HG12 VAL 9 27.017 -2.724 -2.724 61 1HG2 VAL 9 HG21 VAL 9 25.114 0.154 0.154 62 2HG2 VAL 9 HG23 VAL 9 26.459 0.628 0.628 63 3HG2 VAL 9 HG22 VAL 9 26.591 0.806 0.806 64 H PHE 10 HN PHE 10 27.978 -2.478 -2.478 65 HA PHE 10 HA PHE 10 28.788 -5.080 -5.080 66 1HB PHE 10 HB2 PHE 10 30.522 -3.363 -3.363 67 2HB PHE 10 HB1 PHE 10 30.174 -3.198 -3.198 68 HD1 PHE 10 HD1 PHE 10 30.565 -5.112 -5.112 69 HD2 PHE 10 HD2 PHE 10 31.909 -5.143 -5.143 70 HE1 PHE 10 HE1 PHE 10 32.116 -6.948 -6.948 71 HE2 PHE 10 HE2 PHE 10 33.469 -6.992 -6.992 72 HZ PHE 10 HZ PHE 10 33.582 -7.891 -7.891 73 H SER 11 HN SER 11 27.695 -3.619 -3.619 74 HA SER 11 HA SER 11 27.968 -6.158 -6.158 75 1HB SER 11 HB2 SER 11 28.187 -3.743 -3.743 76 2HB SER 11 HB1 SER 11 26.423 -3.777 -3.777 77 HG SER 11 HG SER 11 26.832 -5.942 -5.942 78 H GLY 12 HN GLY 12 25.989 -5.382 -5.382 79 1HA GLY 12 HA2 GLY 12 23.769 -6.923 -6.923 80 2HA GLY 12 HA1 GLY 12 23.387 -5.382 -5.382 81 H ASN 13 HN ASN 13 25.888 -6.442 -6.442 82 HA ASN 13 HA ASN 13 24.301 -8.353 -8.353 83 1HB ASN 13 HB2 ASN 13 25.499 -5.989 -5.989 84 2HB ASN 13 HB1 ASN 13 24.167 -7.033 -7.033 85 1HD2 ASN 13 HD22 ASN 13 23.361 -4.099 -4.099 86 2HD2 ASN 13 HD21 ASN 13 24.925 -4.775 -4.775 87 H CYS 14 HN CYS 14 27.284 -6.384 -6.384 88 HA CYS 14 HA CYS 14 28.809 -8.236 -8.236 89 1HB CYS 14 HB2 CYS 14 29.992 -6.375 -6.375 90 2HB CYS 14 HB1 CYS 14 30.673 -6.864 -6.864 91 H ALA 15 HN ALA 15 28.103 -8.044 -8.044 92 HA ALA 15 HA ALA 15 30.161 -9.740 -9.740 93 1HB ALA 15 HB3 ALA 15 28.549 -8.405 -8.405 94 2HB ALA 15 HB2 ALA 15 27.314 -9.606 -9.606 95 3HB ALA 15 HB1 ALA 15 28.750 -10.074 -10.074 96 H ALA 16 HN ALA 16 27.140 -10.494 -10.494 97 HA ALA 16 HA ALA 16 26.969 -13.257 -13.257 98 1HB ALA 16 HB1 ALA 16 25.191 -12.030 -12.030 99 2HB ALA 16 HB3 ALA 16 26.246 -11.908 -11.908 100 3HB ALA 16 HB2 ALA 16 25.673 -13.487 -13.487 101 H CYS 17 HN CYS 17 28.886 -11.554 -11.554 102 HA CYS 17 HA CYS 17 30.296 -14.120 -14.120 103 1HB CYS 17 HB2 CYS 17 29.764 -11.762 -11.762 104 2HB CYS 17 HB1 CYS 17 30.838 -13.080 -13.080 105 H HIS 18 HN HIS 18 30.655 -11.654 -11.654 106 HA HIS 18 HA HIS 18 33.573 -11.602 -11.602 107 1HB HIS 18 HB2 HIS 18 31.940 -9.062 -9.062 108 2HB HIS 18 HB1 HIS 18 33.685 -9.139 -9.139 109 HD1 HIS 18 HD1 HIS 18 35.097 -10.002 -10.002 110 HD2 HIS 18 HD2 HIS 18 31.031 -9.840 -9.840 111 HE1 HIS 18 HE1 HIS 18 34.893 -10.266 -10.266 112 H MET 19 HN MET 19 31.382 -12.316 -12.316 113 HA MET 19 HA MET 19 31.112 -10.475 -10.475 114 1HB MET 19 HB2 MET 19 31.137 -12.664 -12.664 115 2HB MET 19 HB1 MET 19 29.841 -12.413 -12.413 116 1HG MET 19 HG2 MET 19 30.678 -13.998 -13.998 117 2HG MET 19 HG1 MET 19 32.345 -13.773 -13.773 118 1HE MET 19 HE1 MET 19 31.521 -16.312 -16.312 119 2HE MET 19 HE3 MET 19 31.152 -17.498 -17.498 120 3HE MET 19 HE2 MET 19 29.859 -16.538 -16.538 121 H GLY 20 HN GLY 20 32.383 -10.016 -10.016 122 1HA GLY 20 HA2 GLY 20 34.464 -9.529 -9.529 123 2HA GLY 20 HA1 GLY 20 34.724 -11.270 -11.270 124 H GLY 21 HN GLY 21 34.251 -9.040 -9.040 125 1HA GLY 21 HA2 GLY 21 35.569 -8.687 -8.687 126 2HA GLY 21 HA1 GLY 21 36.860 -8.423 -8.423 127 H GLY 22 HN GLY 22 35.016 -11.317 -11.317 128 1HA GLY 22 HA2 GLY 22 37.606 -12.581 -12.581 129 2HA GLY 22 HA1 GLY 22 36.516 -13.432 -13.432 130 H ASN 23 HN ASN 23 37.413 -13.322 -13.322 131 HA ASN 23 HA ASN 23 34.929 -13.357 -13.357 132 1HB ASN 23 HB2 ASN 23 37.417 -13.261 -13.261 133 2HB ASN 23 HB1 ASN 23 37.272 -15.021 -15.021 134 1HD2 ASN 23 HD22 ASN 23 34.847 -12.855 -12.855 135 2HD2 ASN 23 HD21 ASN 23 35.389 -12.130 -12.130 136 H VAL 24 HN VAL 24 33.752 -15.239 -15.239 137 HA VAL 24 HA VAL 24 34.184 -17.680 -17.680 138 HB VAL 24 HB VAL 24 31.812 -17.983 -17.983 139 1HG1 VAL 24 HG11 VAL 24 33.088 -15.514 -15.514 140 2HG1 VAL 24 HG13 VAL 24 31.367 -15.252 -15.252 141 3HG1 VAL 24 HG12 VAL 24 31.891 -16.483 -16.483 142 1HG2 VAL 24 HG21 VAL 24 31.321 -17.264 -17.264 143 2HG2 VAL 24 HG23 VAL 24 30.212 -16.561 -16.561 144 3HG2 VAL 24 HG22 VAL 24 31.521 -15.587 -15.587 145 H VAL 25 HN VAL 25 33.626 -16.385 -16.385 146 HA VAL 25 HA VAL 25 33.237 -19.141 -19.141 147 HB VAL 25 HB VAL 25 33.027 -16.534 -16.534 148 1HG1 VAL 25 HG11 VAL 25 32.103 -19.379 -19.379 149 2HG1 VAL 25 HG13 VAL 25 31.569 -18.007 -18.007 150 3HG1 VAL 25 HG12 VAL 25 33.272 -18.462 -18.462 151 1HG2 VAL 25 HG22 VAL 25 30.964 -18.075 -18.075 152 2HG2 VAL 25 HG21 VAL 25 31.391 -16.371 -16.371 153 3HG2 VAL 25 HG23 VAL 25 30.522 -16.940 -16.940 154 H MET 26 HN MET 26 34.935 -16.238 -16.238 155 HA MET 26 HA MET 26 36.792 -17.561 -17.561 156 1HB MET 26 HB2 MET 26 36.577 -14.938 -14.938 157 2HB MET 26 HB1 MET 26 38.259 -15.478 -15.478 158 1HG MET 26 HG2 MET 26 36.389 -15.358 -15.358 159 2HG MET 26 HG1 MET 26 37.782 -14.318 -14.318 160 1HE MET 26 HE2 MET 26 36.308 -16.803 -16.803 161 2HE MET 26 HE1 MET 26 37.533 -17.814 -17.814 162 3HE MET 26 HE3 MET 26 36.843 -18.279 -18.279 163 H ALA 27 HN ALA 27 36.915 -17.054 -17.054 164 HA ALA 27 HA ALA 27 38.156 -18.224 -18.224 165 1HB ALA 27 HB3 ALA 27 37.722 -20.141 -20.141 166 2HB ALA 27 HB2 ALA 27 39.421 -19.899 -19.899 167 3HB ALA 27 HB1 ALA 27 38.967 -20.357 -20.357 168 H ASN 28 HN ASN 28 39.156 -15.838 -15.838 169 HA ASN 28 HA ASN 28 41.815 -15.810 -15.810 170 1HB ASN 28 HB2 ASN 28 43.156 -15.857 -15.857 171 2HB ASN 28 HB1 ASN 28 42.085 -17.253 -17.253 172 1HD2 ASN 28 HD22 ASN 28 40.057 -15.671 -15.671 173 2HD2 ASN 28 HD21 ASN 28 39.904 -16.682 -16.682 174 H LYS 29 HN LYS 29 39.515 -14.494 -14.494 175 HA LYS 29 HA LYS 29 40.662 -11.808 -11.808 176 1HB LYS 29 HB2 LYS 29 38.552 -13.209 -13.209 177 2HB LYS 29 HB1 LYS 29 38.064 -11.586 -11.586 178 1HG LYS 29 HG2 LYS 29 39.138 -11.341 -11.341 179 2HG LYS 29 HG1 LYS 29 40.315 -10.793 -10.793 180 1HD LYS 29 HD2 LYS 29 41.714 -12.566 -12.566 181 2HD LYS 29 HD1 LYS 29 40.380 -13.691 -13.691 182 1HE LYS 29 HE2 LYS 29 40.191 -11.904 -11.904 183 2HE LYS 29 HE1 LYS 29 41.924 -12.173 -12.173 184 1HZ LYS 29 HZ3 LYS 29 39.921 -14.357 -14.357 185 2HZ LYS 29 HZ2 LYS 29 40.779 -13.797 -13.797 186 3HZ LYS 29 HZ1 LYS 29 41.610 -14.509 -14.509 187 H THR 30 HN THR 30 40.596 -11.704 -11.704 188 HA THR 30 HA THR 30 37.960 -11.517 -11.517 189 HB THR 30 HB THR 30 39.919 -12.435 -12.435 190 HG1 THR 30 HG1 THR 30 38.171 -11.193 -11.193 191 1HG2 THR 30 HG21 THR 30 40.973 -9.644 -9.644 192 2HG2 THR 30 HG23 THR 30 41.618 -10.704 -10.704 193 3HG2 THR 30 HG22 THR 30 41.725 -11.176 -11.176 194 H LEU 31 HN LEU 31 37.902 -9.402 -9.402 195 HA LEU 31 HA LEU 31 37.977 -7.103 -7.103 196 1HB LEU 31 HB2 LEU 31 36.381 -7.805 -7.805 197 2HB LEU 31 HB1 LEU 31 36.601 -6.098 -6.098 198 HG LEU 31 HG LEU 31 34.687 -7.889 -7.889 199 1HD1 LEU 31 HD12 LEU 31 35.070 -5.187 -5.187 200 2HD1 LEU 31 HD11 LEU 31 35.181 -5.434 -5.434 201 3HD1 LEU 31 HD13 LEU 31 33.737 -5.951 -5.951 202 1HD2 LEU 31 HD21 LEU 31 36.651 -8.556 -8.556 203 2HD2 LEU 31 HD23 LEU 31 35.123 -8.107 -8.107 204 3HD2 LEU 31 HD22 LEU 31 36.453 -6.951 -6.951 205 H LYS 32 HN LYS 32 39.573 -8.284 -8.284 206 HA LYS 32 HA LYS 32 40.300 -5.778 -5.778 207 1HB LYS 32 HB2 LYS 32 42.431 -7.131 -7.131 208 2HB LYS 32 HB1 LYS 32 40.854 -7.562 -7.562 209 1HG LYS 32 HG2 LYS 32 41.304 -8.916 -8.916 210 2HG LYS 32 HG1 LYS 32 42.620 -9.248 -9.248 211 1HD LYS 32 HD2 LYS 32 39.731 -9.419 -9.419 212 2HD LYS 32 HD1 LYS 32 40.558 -10.794 -10.794 213 1HE LYS 32 HE2 LYS 32 42.108 -9.494 -9.494 214 2HE LYS 32 HE1 LYS 32 40.585 -10.183 -10.183 215 1HZ LYS 32 HZ3 LYS 32 41.353 -12.186 -12.186 216 2HZ LYS 32 HZ2 LYS 32 42.898 -11.519 -11.519 217 3HZ LYS 32 HZ1 LYS 32 41.961 -11.986 -11.986 218 H LYS 33 HN LYS 33 43.130 -7.494 -7.494 219 HA LYS 33 HA LYS 33 43.526 -5.892 -5.892 220 1HB LYS 33 HB2 LYS 33 45.339 -4.486 -4.486 221 2HB LYS 33 HB1 LYS 33 43.840 -4.156 -4.156 222 1HG LYS 33 HG2 LYS 33 44.620 -5.825 -5.825 223 2HG LYS 33 HG1 LYS 33 46.186 -5.826 -5.826 224 1HD LYS 33 HD2 LYS 33 44.807 -3.354 -3.354 225 2HD LYS 33 HD1 LYS 33 46.119 -4.216 -4.216 226 1HE LYS 33 HE2 LYS 33 46.439 -3.244 -3.244 227 2HE LYS 33 HE1 LYS 33 46.718 -2.154 -2.154 228 1HZ LYS 33 HZ1 LYS 33 48.012 -4.808 -4.808 229 2HZ LYS 33 HZ3 LYS 33 48.724 -3.365 -3.365 230 3HZ LYS 33 HZ2 LYS 33 48.387 -3.581 -3.581 231 H GLU 34 HN GLU 34 45.039 -7.730 -7.730 232 HA GLU 34 HA GLU 34 47.515 -8.373 -8.373 233 1HB GLU 34 HB2 GLU 34 45.508 -9.788 -9.788 234 2HB GLU 34 HB1 GLU 34 46.640 -10.862 -10.862 235 1HG GLU 34 HG2 GLU 34 48.217 -8.753 -8.753 236 2HG GLU 34 HG1 GLU 34 47.089 -9.127 -9.127 237 H ALA 35 HN ALA 35 44.463 -9.441 -9.441 238 HA ALA 35 HA ALA 35 45.917 -11.083 -11.083 239 1HB ALA 35 HB1 ALA 35 43.714 -11.676 -11.676 240 2HB ALA 35 HB3 ALA 35 43.012 -11.297 -11.297 241 3HB ALA 35 HB2 ALA 35 44.232 -12.564 -12.564 242 H LEU 36 HN LEU 36 42.994 -9.040 -9.040 243 HA LEU 36 HA LEU 36 42.838 -8.710 -8.710 244 1HB LEU 36 HB2 LEU 36 41.485 -6.638 -6.638 245 2HB LEU 36 HB1 LEU 36 40.923 -8.130 -8.130 246 HG LEU 36 HG LEU 36 42.905 -6.506 -6.506 247 1HD1 LEU 36 HD13 LEU 36 40.950 -5.048 -5.048 248 2HD1 LEU 36 HD12 LEU 36 40.011 -5.773 -5.773 249 3HD1 LEU 36 HD11 LEU 36 41.442 -4.815 -4.815 250 1HD2 LEU 36 HD23 LEU 36 41.216 -8.711 -8.711 251 2HD2 LEU 36 HD22 LEU 36 42.145 -7.835 -7.835 252 3HD2 LEU 36 HD21 LEU 36 40.477 -7.380 -7.380 253 H GLU 37 HN GLU 37 45.255 -7.506 -7.506 254 HA GLU 37 HA GLU 37 45.774 -5.311 -5.311 255 1HB GLU 37 HB2 GLU 37 46.522 -5.746 -5.746 256 2HB GLU 37 HB1 GLU 37 47.501 -4.675 -4.675 257 1HG GLU 37 HG2 GLU 37 44.658 -4.275 -4.275 258 2HG GLU 37 HG1 GLU 37 45.092 -4.009 -4.009 259 H GLN 38 HN GLN 38 46.736 -8.427 -8.427 260 HA GLN 38 HA GLN 38 49.492 -8.171 -8.171 261 1HB GLN 38 HB2 GLN 38 47.781 -10.629 -10.629 262 2HB GLN 38 HB1 GLN 38 49.526 -10.633 -10.633 263 1HG GLN 38 HG2 GLN 38 48.087 -9.233 -9.233 264 2HG GLN 38 HG1 GLN 38 49.023 -10.725 -10.725 265 1HE2 GLN 38 HE22 GLN 38 51.882 -8.366 -8.366 266 2HE2 GLN 38 HE21 GLN 38 50.912 -9.411 -9.411 267 H PHE 39 HN PHE 39 46.350 -9.303 -9.303 268 HA PHE 39 HA PHE 39 47.456 -9.822 -9.822 269 1HB PHE 39 HB2 PHE 39 44.616 -9.735 -9.735 270 2HB PHE 39 HB1 PHE 39 45.679 -11.106 -11.106 271 HD1 PHE 39 HD1 PHE 39 46.340 -12.544 -12.544 272 HD2 PHE 39 HD2 PHE 39 43.405 -9.432 -9.432 273 HE1 PHE 39 HE1 PHE 39 45.472 -13.609 -13.609 274 HE2 PHE 39 HE2 PHE 39 42.543 -10.486 -10.486 275 HZ PHE 39 HZ PHE 39 43.573 -12.583 -12.583 276 H GLY 40 HN GLY 40 45.224 -7.519 -7.519 277 1HA GLY 40 HA2 GLY 40 45.617 -5.118 -5.118 278 2HA GLY 40 HA1 GLY 40 45.670 -5.730 -5.730 279 H MET 41 HN MET 41 43.603 -4.757 -4.757 280 HA MET 41 HA MET 41 41.352 -4.216 -4.216 281 1HB MET 41 HB2 MET 41 39.936 -6.254 -6.254 282 2HB MET 41 HB1 MET 41 40.898 -6.410 -6.410 283 1HG MET 41 HG2 MET 41 42.614 -6.988 -6.988 284 2HG MET 41 HG1 MET 41 41.120 -7.891 -7.891 285 1HE MET 41 HE3 MET 41 39.900 -8.135 -8.135 286 2HE MET 41 HE2 MET 41 40.607 -8.950 -8.950 287 3HE MET 41 HE1 MET 41 40.247 -9.869 -9.869 288 H TYR 42 HN TYR 42 42.712 -3.263 -3.263 289 HA TYR 42 HA TYR 42 40.533 -3.430 -3.430 290 1HB TYR 42 HB2 TYR 42 42.673 -4.390 -4.390 291 2HB TYR 42 HB1 TYR 42 43.502 -2.897 -2.897 292 HD1 TYR 42 HD1 TYR 42 40.120 -2.929 -2.929 293 HD2 TYR 42 HD2 TYR 42 44.311 -2.322 -2.322 294 HE1 TYR 42 HE1 TYR 42 39.607 -1.889 -1.889 295 HE2 TYR 42 HE2 TYR 42 43.801 -1.288 -1.288 296 HH TYR 42 HH TYR 42 42.212 -0.626 -0.626 297 H SER 43 HN SER 43 40.701 -1.671 -1.671 298 HA SER 43 HA SER 43 41.295 0.973 0.973 299 1HB SER 43 HB2 SER 43 41.901 -0.160 -0.160 300 2HB SER 43 HB1 SER 43 40.738 1.133 1.133 301 HG SER 43 HG SER 43 42.865 1.929 1.929 302 H GLU 44 HN GLU 44 39.822 2.763 2.763 303 HA GLU 44 HA GLU 44 37.089 2.201 2.201 304 1HB GLU 44 HB2 GLU 44 38.671 4.523 4.523 305 2HB GLU 44 HB1 GLU 44 37.033 4.531 4.531 306 1HG GLU 44 HG2 GLU 44 36.074 4.353 4.353 307 2HG GLU 44 HG1 GLU 44 37.652 4.039 4.039 308 H ASP 45 HN ASP 45 38.270 3.448 3.448 309 HA ASP 45 HA ASP 45 36.082 2.575 2.575 310 1HB ASP 45 HB2 ASP 45 37.973 4.110 4.110 311 2HB ASP 45 HB1 ASP 45 38.871 2.635 2.635 312 H ALA 46 HN ALA 46 39.002 0.785 0.785 313 HA ALA 46 HA ALA 46 38.567 -1.485 -1.485 314 1HB ALA 46 HB3 ALA 46 39.918 -1.312 -1.312 315 2HB ALA 46 HB2 ALA 46 40.057 -2.671 -2.671 316 3HB ALA 46 HB1 ALA 46 40.708 -1.094 -1.094 317 H ILE 47 HN ILE 47 38.271 -1.556 -1.556 318 HA ILE 47 HA ILE 47 36.564 -3.775 -3.775 319 HB ILE 47 HB ILE 47 36.875 -1.296 -1.296 320 1HG1 ILE 47 HG12 ILE 47 38.103 -4.022 -4.022 321 2HG1 ILE 47 HG11 ILE 47 38.925 -2.527 -2.527 322 1HG2 ILE 47 HG21 ILE 47 35.021 -3.465 -3.465 323 2HG2 ILE 47 HG23 ILE 47 36.071 -3.227 -3.227 324 3HG2 ILE 47 HG22 ILE 47 35.087 -1.896 -1.896 325 1HD1 ILE 47 HD11 ILE 47 37.486 -2.134 -2.134 326 2HD1 ILE 47 HD13 ILE 47 38.460 -3.598 -3.598 327 3HD1 ILE 47 HD12 ILE 47 39.224 -2.065 -2.065 328 H ILE 48 HN ILE 48 35.901 -0.570 -0.570 329 HA ILE 48 HA ILE 48 33.044 -0.586 -0.586 330 HB ILE 48 HB ILE 48 34.910 1.254 1.254 331 1HG1 ILE 48 HG12 ILE 48 32.884 1.819 1.819 332 2HG1 ILE 48 HG11 ILE 48 34.533 1.305 1.305 333 1HG2 ILE 48 HG23 ILE 48 31.944 1.063 1.063 334 2HG2 ILE 48 HG22 ILE 48 32.682 2.662 2.662 335 3HG2 ILE 48 HG21 ILE 48 33.142 1.530 1.530 336 1HD1 ILE 48 HD13 ILE 48 35.176 3.272 3.272 337 2HD1 ILE 48 HD12 ILE 48 33.566 3.867 3.867 338 3HD1 ILE 48 HD11 ILE 48 34.760 3.625 3.625 339 H TYR 49 HN TYR 49 35.119 -1.351 -1.351 340 HA TYR 49 HA TYR 49 32.954 -1.651 -1.651 341 1HB TYR 49 HB2 TYR 49 35.158 -1.271 -1.271 342 2HB TYR 49 HB1 TYR 49 35.823 -2.627 -2.627 343 HD1 TYR 49 HD1 TYR 49 33.296 -1.780 -1.780 344 HD2 TYR 49 HD2 TYR 49 35.840 -4.793 -4.793 345 HE1 TYR 49 HE1 TYR 49 32.709 -3.313 -3.313 346 HE2 TYR 49 HE2 TYR 49 35.252 -6.332 -6.332 347 HH TYR 49 HH TYR 49 33.136 -5.271 -5.271 348 H GLN 50 HN GLN 50 34.367 -3.606 -3.606 349 HA GLN 50 HA GLN 50 33.190 -6.085 -6.085 350 1HB GLN 50 HB2 GLN 50 33.860 -6.766 -6.766 351 2HB GLN 50 HB1 GLN 50 34.945 -6.903 -6.903 352 1HG GLN 50 HG2 GLN 50 34.780 -4.276 -4.276 353 2HG GLN 50 HG1 GLN 50 35.607 -5.536 -5.536 354 1HE2 GLN 50 HE22 GLN 50 37.188 -5.032 -5.032 355 2HE2 GLN 50 HE21 GLN 50 35.530 -5.345 -5.345 356 H VAL 51 HN VAL 51 32.466 -3.687 -3.687 357 HA VAL 51 HA VAL 51 30.226 -5.188 -5.188 358 HB VAL 51 HB VAL 51 30.761 -2.230 -2.230 359 1HG1 VAL 51 HG12 VAL 51 28.607 -3.170 -3.170 360 2HG1 VAL 51 HG11 VAL 51 29.539 -4.236 -4.236 361 3HG1 VAL 51 HG13 VAL 51 29.626 -2.488 -2.488 362 1HG2 VAL 51 HG23 VAL 51 32.633 -4.160 -4.160 363 2HG2 VAL 51 HG22 VAL 51 32.532 -2.598 -2.598 364 3HG2 VAL 51 HG21 VAL 51 31.786 -4.020 -4.020 365 H GLN 52 HN GLN 52 30.621 -2.586 -2.586 366 HA GLN 52 HA GLN 52 27.819 -2.016 -2.016 367 1HB GLN 52 HB2 GLN 52 30.282 -1.140 -1.140 368 2HB GLN 52 HB1 GLN 52 28.929 -1.215 -1.215 369 1HG GLN 52 HG2 GLN 52 28.441 0.853 0.853 370 2HG GLN 52 HG1 GLN 52 27.723 -0.074 -0.074 371 1HE2 GLN 52 HE22 GLN 52 30.741 0.418 0.418 372 2HE2 GLN 52 HE21 GLN 52 29.777 -0.891 -0.891 373 H HIS 53 HN HIS 53 29.786 -4.589 -4.589 374 HA HIS 53 HA HIS 53 27.466 -5.578 -5.578 375 1HB HIS 53 HB2 HIS 53 29.753 -5.756 -5.756 376 2HB HIS 53 HB1 HIS 53 28.111 -5.290 -5.290 377 HD1 HIS 53 HD1 HIS 53 28.281 -3.070 -3.070 378 HD2 HIS 53 HD2 HIS 53 30.768 -3.267 -3.267 379 HE1 HIS 53 HE1 HIS 53 29.348 -0.787 -0.787 380 H GLY 54 HN GLY 54 29.203 -6.376 -6.376 381 1HA GLY 54 HA2 GLY 54 30.441 -8.265 -8.265 382 2HA GLY 54 HA1 GLY 54 29.411 -9.114 -9.114 383 H LYS 55 HN LYS 55 30.793 -10.328 -10.328 384 HA LYS 55 HA LYS 55 32.226 -9.871 -9.871 385 1HB LYS 55 HB2 LYS 55 33.680 -8.655 -8.655 386 2HB LYS 55 HB1 LYS 55 34.650 -9.831 -9.831 387 1HG LYS 55 HG2 LYS 55 34.549 -7.301 -7.301 388 2HG LYS 55 HG1 LYS 55 34.635 -8.633 -8.633 389 1HD LYS 55 HD2 LYS 55 31.875 -8.016 -8.016 390 2HD LYS 55 HD1 LYS 55 32.702 -6.619 -6.619 391 1HE LYS 55 HE2 LYS 55 32.614 -7.514 -7.514 392 2HE LYS 55 HE1 LYS 55 33.361 -9.007 -9.007 393 1HZ LYS 55 HZ3 LYS 55 30.714 -8.866 -8.866 394 2HZ LYS 55 HZ2 LYS 55 30.712 -8.599 -8.599 395 3HZ LYS 55 HZ1 LYS 55 31.408 -10.012 -10.012 396 H ASN 56 HN ASN 56 32.923 -11.810 -11.810 397 HA ASN 56 HA ASN 56 33.432 -14.092 -14.092 398 1HB ASN 56 HB2 ASN 56 34.643 -13.273 -13.273 399 2HB ASN 56 HB1 ASN 56 34.799 -14.900 -14.900 400 1HD2 ASN 56 HD22 ASN 56 36.950 -11.824 -11.824 401 2HD2 ASN 56 HD21 ASN 56 35.754 -11.512 -11.512 402 H ALA 57 HN ALA 57 33.105 -14.028 -14.028 403 HA ALA 57 HA ALA 57 30.431 -15.342 -15.342 404 1HB ALA 57 HB3 ALA 57 32.389 -16.900 -16.900 405 2HB ALA 57 HB2 ALA 57 32.468 -16.051 -16.051 406 3HB ALA 57 HB1 ALA 57 31.010 -16.939 -16.939 407 H MET 58 HN MET 58 30.810 -12.582 -12.582 408 HA MET 58 HA MET 58 30.024 -12.298 -12.298 409 1HB MET 58 HB2 MET 58 32.192 -11.229 -11.229 410 2HB MET 58 HB1 MET 58 31.315 -10.219 -10.219 411 1HG MET 58 HG2 MET 58 29.983 -9.275 -9.275 412 2HG MET 58 HG1 MET 58 30.858 -10.304 -10.304 413 1HE MET 58 HE2 MET 58 30.416 -7.030 -7.030 414 2HE MET 58 HE1 MET 58 30.993 -7.539 -7.539 415 3HE MET 58 HE3 MET 58 31.902 -6.332 -6.332 416 HA PRO 59 HA PRO 59 26.148 -11.010 -11.010 417 1HB PRO 59 HB2 PRO 59 25.218 -9.796 -9.796 418 2HB PRO 59 HB1 PRO 59 25.258 -11.544 -11.544 419 1HG PRO 59 HG2 PRO 59 27.007 -9.840 -9.840 420 2HG PRO 59 HG1 PRO 59 26.627 -11.561 -11.561 421 1HD PRO 59 HD2 PRO 59 29.009 -10.458 -10.458 422 2HD PRO 59 HD1 PRO 59 28.506 -12.155 -12.155 423 H ALA 60 HN ALA 60 26.469 -9.424 -9.424 424 HA ALA 60 HA ALA 60 27.325 -6.761 -6.761 425 1HB ALA 60 HB1 ALA 60 25.553 -8.177 -8.177 426 2HB ALA 60 HB3 ALA 60 25.820 -6.438 -6.438 427 3HB ALA 60 HB2 ALA 60 27.184 -7.551 -7.551 428 H PHE 61 HN PHE 61 26.392 -5.199 -5.199 429 HA PHE 61 HA PHE 61 23.584 -5.429 -5.429 430 1HB PHE 61 HB2 PHE 61 25.736 -3.425 -3.425 431 2HB PHE 61 HB1 PHE 61 24.091 -3.380 -3.380 432 HD1 PHE 61 HD1 PHE 61 26.993 -5.719 -5.719 433 HD2 PHE 61 HD2 PHE 61 23.584 -4.601 -4.601 434 HE1 PHE 61 HE1 PHE 61 27.601 -7.429 -7.429 435 HE2 PHE 61 HE2 PHE 61 24.193 -6.317 -6.317 436 HZ PHE 61 HZ PHE 61 26.204 -7.730 -7.730 437 H ALA 62 HN ALA 62 25.705 -3.050 -3.050 438 HA ALA 62 HA ALA 62 25.112 -1.184 -1.184 439 1HB ALA 62 HB3 ALA 62 23.877 -3.649 -3.649 440 2HB ALA 62 HB2 ALA 62 23.629 -2.080 -2.080 441 3HB ALA 62 HB1 ALA 62 25.262 -2.713 -2.713 442 H GLY 63 HN GLY 63 23.320 -1.670 -1.670 443 1HA GLY 63 HA2 GLY 63 21.551 0.142 0.142 444 2HA GLY 63 HA1 GLY 63 20.784 -0.545 -0.545 445 H ARG 64 HN ARG 64 22.415 -2.437 -2.437 446 HA ARG 64 HA ARG 64 19.827 -3.774 -3.774 447 1HB ARG 64 HB2 ARG 64 21.524 -5.312 -5.312 448 2HB ARG 64 HB1 ARG 64 22.731 -4.575 -4.575 449 1HG ARG 64 HG2 ARG 64 21.383 -5.304 -5.304 450 2HG ARG 64 HG1 ARG 64 20.299 -6.154 -6.154 451 1HD ARG 64 HD2 ARG 64 23.104 -6.717 -6.717 452 2HD ARG 64 HD1 ARG 64 22.656 -7.177 -7.177 453 HE ARG 64 HE ARG 64 21.723 -8.461 -8.461 454 1HH1 ARG 64 HH21 ARG 64 19.117 -7.938 -7.938 455 2HH1 ARG 64 HH22 ARG 64 18.865 -9.144 -9.144 456 1HH2 ARG 64 HH11 ARG 64 22.229 -9.923 -9.923 457 2HH2 ARG 64 HH12 ARG 64 20.625 -10.264 -10.264 458 H LEU 65 HN LEU 65 22.827 -2.598 -2.598 459 HA LEU 65 HA LEU 65 21.514 -2.301 -2.301 460 1HB LEU 65 HB2 LEU 65 24.249 -1.467 -1.467 461 2HB LEU 65 HB1 LEU 65 23.700 -1.256 -1.256 462 HG LEU 65 HG LEU 65 23.413 -3.981 -3.981 463 1HD1 LEU 65 HD12 LEU 65 26.070 -2.690 -2.690 464 2HD1 LEU 65 HD11 LEU 65 25.829 -4.437 -4.437 465 3HD1 LEU 65 HD13 LEU 65 25.621 -3.480 -3.480 466 1HD2 LEU 65 HD21 LEU 65 23.576 -2.612 -2.612 467 2HD2 LEU 65 HD23 LEU 65 22.963 -4.225 -4.225 468 3HD2 LEU 65 HD22 LEU 65 24.685 -3.981 -3.981 469 H THR 66 HN THR 66 22.999 0.318 0.318 470 HA THR 66 HA THR 66 20.845 1.986 1.986 471 HB THR 66 HB THR 66 22.768 3.367 3.367 472 HG1 THR 66 HG1 THR 66 21.725 2.211 2.211 473 1HG2 THR 66 HG23 THR 66 19.917 3.218 3.218 474 2HG2 THR 66 HG22 THR 66 20.233 3.401 3.401 475 3HG2 THR 66 HG21 THR 66 20.873 4.579 4.579 476 H ASP 67 HN ASP 67 22.126 4.444 4.444 477 HA ASP 67 HA ASP 67 23.832 4.017 4.017 478 1HB ASP 67 HB2 ASP 67 22.069 6.120 6.120 479 2HB ASP 67 HB1 ASP 67 23.646 6.771 6.771 480 H GLU 68 HN GLU 68 23.939 6.114 6.114 481 HA GLU 68 HA GLU 68 26.815 6.436 6.436 482 1HB GLU 68 HB2 GLU 68 25.376 8.120 8.120 483 2HB GLU 68 HB1 GLU 68 24.787 6.919 6.919 484 1HG GLU 68 HG2 GLU 68 26.757 6.941 6.941 485 2HG GLU 68 HG1 GLU 68 27.744 7.319 7.319 486 H GLN 69 HN GLN 69 25.051 3.763 3.763 487 HA GLN 69 HA GLN 69 26.772 2.769 2.769 488 1HB GLN 69 HB2 GLN 69 24.088 2.123 2.123 489 2HB GLN 69 HB1 GLN 69 24.975 0.812 0.812 490 1HG GLN 69 HG2 GLN 69 23.461 2.111 2.111 491 2HG GLN 69 HG1 GLN 69 25.153 2.137 2.137 492 1HE2 GLN 69 HE22 GLN 69 25.620 5.539 5.539 493 2HE2 GLN 69 HE21 GLN 69 26.431 4.088 4.088 494 H ILE 70 HN ILE 70 25.830 2.298 2.298 495 HA ILE 70 HA ILE 70 27.401 -0.157 -0.157 496 HB ILE 70 HB ILE 70 26.195 1.843 1.843 497 1HG1 ILE 70 HG12 ILE 70 24.652 0.231 0.231 498 2HG1 ILE 70 HG11 ILE 70 24.897 -0.171 -0.171 499 1HG2 ILE 70 HG23 ILE 70 28.363 -0.101 -0.101 500 2HG2 ILE 70 HG22 ILE 70 27.003 -0.291 -0.291 501 3HG2 ILE 70 HG21 ILE 70 27.847 1.254 1.254 502 1HD1 ILE 70 HD13 ILE 70 26.765 -1.740 -1.740 503 2HD1 ILE 70 HD12 ILE 70 26.103 -1.517 -1.517 504 3HD1 ILE 70 HD11 ILE 70 25.112 -2.242 -2.242 505 H GLN 71 HN GLN 71 27.828 3.208 3.208 506 HA GLN 71 HA GLN 71 30.485 3.318 3.318 507 1HB GLN 71 HB2 GLN 71 28.555 5.245 5.245 508 2HB GLN 71 HB1 GLN 71 30.191 5.731 5.731 509 1HG GLN 71 HG2 GLN 71 28.940 4.338 4.338 510 2HG GLN 71 HG1 GLN 71 27.993 5.742 5.742 511 1HE2 GLN 71 HE22 GLN 71 31.041 7.880 7.880 512 2HE2 GLN 71 HE21 GLN 71 30.047 7.487 7.487 513 H ASP 72 HN ASP 72 29.087 4.459 4.459 514 HA ASP 72 HA ASP 72 31.395 4.721 4.721 515 1HB ASP 72 HB2 ASP 72 29.283 5.663 5.663 516 2HB ASP 72 HB1 ASP 72 28.566 4.054 4.054 517 H VAL 73 HN VAL 73 29.371 1.833 1.833 518 HA VAL 73 HA VAL 73 30.532 0.256 0.256 519 HB VAL 73 HB VAL 73 28.466 -0.312 -0.312 520 1HG1 VAL 73 HG13 VAL 73 30.052 0.019 0.019 521 2HG1 VAL 73 HG12 VAL 73 30.189 -1.726 -1.726 522 3HG1 VAL 73 HG11 VAL 73 28.604 -0.987 -0.987 523 1HG2 VAL 73 HG22 VAL 73 29.645 -1.899 -1.899 524 2HG2 VAL 73 HG21 VAL 73 28.855 -2.701 -2.701 525 3HG2 VAL 73 HG23 VAL 73 30.598 -2.450 -2.450 526 H ALA 74 HN ALA 74 31.726 1.092 1.092 527 HA ALA 74 HA ALA 74 33.824 -0.972 -0.972 528 1HB ALA 74 HB1 ALA 74 32.797 0.875 0.875 529 2HB ALA 74 HB3 ALA 74 34.551 1.016 1.016 530 3HB ALA 74 HB2 ALA 74 33.816 -0.548 -0.548 531 H ALA 75 HN ALA 75 33.774 2.617 2.617 532 HA ALA 75 HA ALA 75 36.420 2.965 2.965 533 1HB ALA 75 HB3 ALA 75 33.904 4.560 4.560 534 2HB ALA 75 HB2 ALA 75 35.072 5.036 5.036 535 3HB ALA 75 HB1 ALA 75 35.544 5.028 5.028 536 H TYR 76 HN TYR 76 33.528 1.801 1.801 537 HA TYR 76 HA TYR 76 33.991 2.241 2.241 538 1HB TYR 76 HB2 TYR 76 31.747 1.681 1.681 539 2HB TYR 76 HB1 TYR 76 32.339 0.254 0.254 540 HD1 TYR 76 HD1 TYR 76 31.693 1.692 1.692 541 HD2 TYR 76 HD2 TYR 76 32.754 -1.789 -1.789 542 HE1 TYR 76 HE1 TYR 76 31.283 0.397 0.397 543 HE2 TYR 76 HE2 TYR 76 32.360 -3.154 -3.154 544 HH TYR 76 HH TYR 76 30.937 -2.894 -2.894 545 H VAL 77 HN VAL 77 34.625 -0.493 -0.493 546 HA VAL 77 HA VAL 77 35.818 -2.115 -2.115 547 HB VAL 77 HB VAL 77 35.051 -3.295 -3.295 548 1HG1 VAL 77 HG11 VAL 77 36.495 -1.265 -1.265 549 2HG1 VAL 77 HG13 VAL 77 35.828 -2.748 -2.748 550 3HG1 VAL 77 HG12 VAL 77 34.756 -1.567 -1.567 551 1HG2 VAL 77 HG22 VAL 77 37.686 -3.534 -3.534 552 2HG2 VAL 77 HG21 VAL 77 36.875 -4.610 -4.610 553 3HG2 VAL 77 HG23 VAL 77 37.817 -3.244 -3.244 554 H LEU 78 HN LEU 78 36.867 0.521 0.521 555 HA LEU 78 HA LEU 78 39.732 -0.029 -0.029 556 1HB LEU 78 HB2 LEU 78 38.560 2.699 2.699 557 2HB LEU 78 HB1 LEU 78 40.098 2.035 2.035 558 HG LEU 78 HG LEU 78 37.325 1.391 1.391 559 1HD1 LEU 78 HD12 LEU 78 38.627 3.278 3.278 560 2HD1 LEU 78 HD11 LEU 78 39.900 2.131 2.131 561 3HD1 LEU 78 HD13 LEU 78 38.301 1.981 1.981 562 1HD2 LEU 78 HD21 LEU 78 38.623 -0.720 -0.720 563 2HD2 LEU 78 HD23 LEU 78 38.233 -0.468 -0.468 564 3HD2 LEU 78 HD22 LEU 78 39.860 -0.132 -0.132 565 H ASP 79 HN ASP 79 37.242 1.101 1.101 566 HA ASP 79 HA ASP 79 38.994 2.690 2.690 567 1HB ASP 79 HB2 ASP 79 36.445 3.097 3.097 568 2HB ASP 79 HB1 ASP 79 36.157 2.188 2.188 569 H GLN 80 HN GLN 80 37.002 -0.203 -0.203 570 HA GLN 80 HA GLN 80 37.422 -0.893 -0.893 571 1HB GLN 80 HB2 GLN 80 36.539 -2.730 -2.730 572 2HB GLN 80 HB1 GLN 80 36.162 -2.844 -2.844 573 1HG GLN 80 HG2 GLN 80 35.366 -0.307 -0.307 574 2HG GLN 80 HG1 GLN 80 34.505 -1.742 -1.742 575 1HE2 GLN 80 HE22 GLN 80 32.955 -0.264 -0.264 576 2HE2 GLN 80 HE21 GLN 80 33.488 0.493 0.493 577 H ALA 81 HN ALA 81 38.902 -1.819 -1.819 578 HA ALA 81 HA ALA 81 40.399 -4.041 -4.041 579 1HB ALA 81 HB2 ALA 81 40.251 -2.524 -2.524 580 2HB ALA 81 HB1 ALA 81 41.948 -2.618 -2.618 581 3HB ALA 81 HB3 ALA 81 41.011 -4.094 -4.094 582 H ALA 82 HN ALA 82 41.263 -0.604 -0.604 583 HA ALA 82 HA ALA 82 43.713 -1.043 -1.043 584 1HB ALA 82 HB2 ALA 82 42.511 1.200 1.200 585 2HB ALA 82 HB1 ALA 82 43.635 1.620 1.620 586 3HB ALA 82 HB3 ALA 82 44.161 0.578 0.578 587 H LYS 83 HN LYS 83 40.725 -1.116 -1.116 588 HA LYS 83 HA LYS 83 41.362 0.507 0.507 589 1HB LYS 83 HB2 LYS 83 39.688 1.737 1.737 590 2HB LYS 83 HB1 LYS 83 38.667 0.300 0.300 591 1HG LYS 83 HG2 LYS 83 38.135 0.402 0.402 592 2HG LYS 83 HG1 LYS 83 39.566 1.354 1.354 593 1HD LYS 83 HD2 LYS 83 37.749 2.672 2.672 594 2HD LYS 83 HD1 LYS 83 37.032 2.383 2.383 595 1HE LYS 83 HE2 LYS 83 39.795 3.386 3.386 596 2HE LYS 83 HE1 LYS 83 38.667 4.514 4.514 597 1HZ LYS 83 HZ1 LYS 83 37.397 3.421 3.421 598 2HZ LYS 83 HZ3 LYS 83 38.952 3.874 3.874 599 3HZ LYS 83 HZ2 LYS 83 37.925 5.022 5.022 600 H GLY 84 HN GLY 84 41.222 -2.530 -2.530 601 1HA GLY 84 HA2 GLY 84 41.009 -4.403 -4.403 602 2HA GLY 84 HA1 GLY 84 40.280 -3.345 -3.345 603 H TRP 85 HN TRP 85 39.645 -4.801 -4.801 604 HA TRP 85 HA TRP 85 36.970 -4.413 -4.413 605 1HB TRP 85 HB2 TRP 85 38.802 -6.674 -6.674 606 2HB TRP 85 HB1 TRP 85 37.104 -7.124 -7.124 607 HD1 TRP 85 HD1 TRP 85 39.606 -6.189 -6.189 608 HE1 TRP 85 HE1 TRP 85 38.580 -5.110 -5.110 609 HE3 TRP 85 HE3 TRP 85 34.947 -5.135 -5.135 610 HZ2 TRP 85 HZ2 TRP 85 36.117 -3.961 -3.961 611 HZ3 TRP 85 HZ3 TRP 85 33.279 -4.032 -4.032 612 HH2 TRP 85 HH2 TRP 85 33.856 -3.436 -3.436 613 H ALA 86 HN ALA 86 35.979 -4.073 -4.073 614 HA ALA 86 HA ALA 86 34.854 -4.753 -4.753 615 1HB ALA 86 HB2 ALA 86 33.760 -5.923 -5.923 616 2HB ALA 86 HB1 ALA 86 33.948 -7.282 -7.282 617 3HB ALA 86 HB3 ALA 86 33.008 -5.871 -5.871 618 H GLY 87 HN GLY 87 37.638 -5.740 -5.740 619 1HA GLY 87 HA2 GLY 87 38.162 -8.361 -8.361 620 2HA GLY 87 HA1 GLY 87 39.056 -7.031 -7.031 621 HHA HEC 88 HA HEM 88 35.978 -9.842 -9.842 622 HHB HEC 88 HB HEM 88 33.999 -5.518 -5.518 623 HHC HEC 88 HC HEM 88 28.458 -8.584 -8.584 624 HHD HEC 88 HD HEM 88 31.004 -13.479 -13.479 625 1HMA HEC 88 HMA1 HEM 88 35.891 -5.129 -5.129 626 2HMA HEC 88 HMA2 HEM 88 36.463 -4.796 -4.796 627 3HMA HEC 88 HMA3 HEM 88 37.423 -5.880 -5.880 628 1HAA HEC 88 HAA1 HEM 88 37.330 -6.679 -6.679 629 2HAA HEC 88 HAA2 HEM 88 37.246 -8.469 -8.469 630 1HBA HEC 88 HBA1 HEM 88 39.330 -8.284 -8.284 631 2HBA HEC 88 HBA2 HEM 88 38.920 -6.741 -6.741 632 1HMB HEC 88 HMB1 HEM 88 31.187 -3.953 -3.953 633 2HMB HEC 88 HMB2 HEM 88 31.867 -5.040 -5.040 634 3HMB HEC 88 HMB3 HEM 88 32.906 -4.501 -4.501 635 HAB HEC 88 HAB HEM 88 28.953 -5.033 -5.033 636 1HBB HEC 88 HBB1 HEM 88 27.687 -7.030 -7.030 637 2HBB HEC 88 HBB2 HEM 88 27.544 -7.434 -7.434 638 3HBB HEC 88 HBB3 HEM 88 26.802 -5.927 -5.927 639 1HMC HEC 88 HMC1 HEM 88 27.221 -11.463 -11.463 640 2HMC HEC 88 HMC2 HEM 88 26.464 -11.273 -11.273 641 3HMC HEC 88 HMC3 HEM 88 27.032 -9.813 -9.813 642 HAC HEC 88 HAC HEM 88 29.551 -14.117 -14.117 643 1HBC HEC 88 HBC1 HEM 88 26.619 -13.180 -13.180 644 2HBC HEC 88 HBC2 HEM 88 27.188 -14.882 -14.882 645 3HBC HEC 88 HBC3 HEM 88 27.620 -13.639 -13.639 646 1HMD HEC 88 HMD1 HEM 88 34.073 -14.857 -14.857 647 2HMD HEC 88 HMD2 HEM 88 32.316 -14.692 -14.692 648 3HMD HEC 88 HMD3 HEM 88 32.912 -14.275 -14.275 649 1HAD HEC 88 HAD1 HEM 88 35.983 -13.445 -13.445 650 2HAD HEC 88 HAD2 HEM 88 36.479 -11.706 -11.706 651 1HBD HEC 88 HBD1 HEM 88 36.050 -13.118 -13.118 652 2HBD HEC 88 HBD2 HEM 88 34.328 -12.660 -12.660 Start of MODEL 20 1 1H ALA 1 HT2 ALA 1 32.473 11.597 11.597 2 2H ALA 1 HT1 ALA 1 33.731 11.427 11.427 3 3H ALA 1 HT3 ALA 1 34.076 11.936 11.936 4 HA ALA 1 HA ALA 1 34.373 9.852 9.852 5 1HB ALA 1 HB2 ALA 1 33.588 9.354 9.354 6 2HB ALA 1 HB1 ALA 1 34.011 8.031 8.031 7 3HB ALA 1 HB3 ALA 1 35.196 9.283 9.283 8 H ASP 2 HN ASP 2 31.508 9.503 9.503 9 HA ASP 2 HA ASP 2 29.304 8.910 8.910 10 1HB ASP 2 HB2 ASP 2 30.012 8.840 8.840 11 2HB ASP 2 HB1 ASP 2 28.506 9.344 9.344 12 H LEU 3 HN LEU 3 32.052 7.132 7.132 13 HA LEU 3 HA LEU 3 30.944 4.866 4.866 14 1HB LEU 3 HB2 LEU 3 33.306 5.006 5.006 15 2HB LEU 3 HB1 LEU 3 32.914 3.629 3.629 16 HG LEU 3 HG LEU 3 33.875 6.374 6.374 17 1HD1 LEU 3 HD12 LEU 3 35.341 4.277 4.277 18 2HD1 LEU 3 HD11 LEU 3 34.607 3.673 3.673 19 3HD1 LEU 3 HD13 LEU 3 35.549 5.163 5.163 20 1HD2 LEU 3 HD21 LEU 3 32.419 4.380 4.380 21 2HD2 LEU 3 HD23 LEU 3 31.848 5.991 5.991 22 3HD2 LEU 3 HD22 LEU 3 33.279 5.807 5.807 23 H ALA 4 HN ALA 4 30.308 6.113 6.113 24 HA ALA 4 HA ALA 4 29.996 3.762 3.762 25 1HB ALA 4 HB1 ALA 4 29.660 6.250 6.250 26 2HB ALA 4 HB3 ALA 4 28.026 6.055 6.055 27 3HB ALA 4 HB2 ALA 4 28.578 5.047 5.047 28 H ASN 5 HN ASN 5 28.292 5.214 5.214 29 HA ASN 5 HA ASN 5 25.860 3.686 3.686 30 1HB ASN 5 HB2 ASN 5 27.154 5.661 5.661 31 2HB ASN 5 HB1 ASN 5 26.544 4.351 4.351 32 1HD2 ASN 5 HD22 ASN 5 23.716 6.720 6.720 33 2HD2 ASN 5 HD21 ASN 5 25.245 6.736 6.736 34 H GLY 6 HN GLY 6 29.008 3.323 3.323 35 1HA GLY 6 HA2 GLY 6 28.556 1.102 1.102 36 2HA GLY 6 HA1 GLY 6 30.077 1.370 1.370 37 H ALA 7 HN ALA 7 29.652 0.923 0.923 38 HA ALA 7 HA ALA 7 29.402 -1.835 -1.835 39 1HB ALA 7 HB1 ALA 7 29.514 0.488 0.488 40 2HB ALA 7 HB3 ALA 7 28.433 -0.740 -0.740 41 3HB ALA 7 HB2 ALA 7 30.108 -1.148 -1.148 42 H LYS 8 HN LYS 8 26.883 0.652 0.652 43 HA LYS 8 HA LYS 8 24.777 -0.990 -0.990 44 1HB LYS 8 HB2 LYS 8 24.117 1.227 1.227 45 2HB LYS 8 HB1 LYS 8 24.941 1.553 1.553 46 1HG LYS 8 HG2 LYS 8 22.655 -0.348 -0.348 47 2HG LYS 8 HG1 LYS 8 22.244 1.331 1.331 48 1HD LYS 8 HD2 LYS 8 23.808 0.280 0.280 49 2HD LYS 8 HD1 LYS 8 22.210 1.021 1.021 50 1HE LYS 8 HE2 LYS 8 23.937 2.834 2.834 51 2HE LYS 8 HE1 LYS 8 24.778 2.294 2.294 52 1HZ LYS 8 HZ1 LYS 8 21.986 3.308 3.308 53 2HZ LYS 8 HZ3 LYS 8 23.333 4.224 4.224 54 3HZ LYS 8 HZ2 LYS 8 22.865 2.876 2.876 55 H VAL 9 HN VAL 9 26.010 -0.424 -0.424 56 HA VAL 9 HA VAL 9 24.043 -2.230 -2.230 57 HB VAL 9 HB VAL 9 26.437 -0.701 -0.701 58 1HG1 VAL 9 HG12 VAL 9 25.908 -3.122 -3.122 59 2HG1 VAL 9 HG11 VAL 9 24.730 -2.144 -2.144 60 3HG1 VAL 9 HG13 VAL 9 26.440 -1.747 -1.747 61 1HG2 VAL 9 HG22 VAL 9 23.513 -0.438 -0.438 62 2HG2 VAL 9 HG21 VAL 9 24.756 0.807 0.807 63 3HG2 VAL 9 HG23 VAL 9 24.249 -0.123 -0.123 64 H PHE 10 HN PHE 10 27.640 -2.337 -2.337 65 HA PHE 10 HA PHE 10 28.010 -4.959 -4.959 66 1HB PHE 10 HB2 PHE 10 29.925 -3.531 -3.531 67 2HB PHE 10 HB1 PHE 10 29.468 -3.429 -3.429 68 HD1 PHE 10 HD1 PHE 10 29.560 -5.379 -5.379 69 HD2 PHE 10 HD2 PHE 10 31.051 -5.549 -5.549 70 HE1 PHE 10 HE1 PHE 10 30.736 -7.474 -7.474 71 HE2 PHE 10 HE2 PHE 10 32.215 -7.669 -7.669 72 HZ PHE 10 HZ PHE 10 32.069 -8.631 -8.631 73 H SER 11 HN SER 11 26.703 -3.804 -3.804 74 HA SER 11 HA SER 11 27.027 -6.322 -6.322 75 1HB SER 11 HB2 SER 11 25.387 -3.842 -3.842 76 2HB SER 11 HB1 SER 11 25.359 -5.245 -5.245 77 HG SER 11 HG SER 11 27.100 -4.450 -4.450 78 H GLY 12 HN GLY 12 24.171 -4.739 -4.739 79 1HA GLY 12 HA2 GLY 12 22.725 -7.273 -7.273 80 2HA GLY 12 HA1 GLY 12 21.968 -5.728 -5.728 81 H ASN 13 HN ASN 13 24.758 -6.920 -6.920 82 HA ASN 13 HA ASN 13 23.034 -7.886 -7.886 83 1HB ASN 13 HB2 ASN 13 24.910 -5.586 -5.586 84 2HB ASN 13 HB1 ASN 13 23.687 -6.277 -6.277 85 1HD2 ASN 13 HD22 ASN 13 22.676 -3.270 -3.270 86 2HD2 ASN 13 HD21 ASN 13 24.276 -3.718 -3.718 87 H CYS 14 HN CYS 14 26.259 -7.278 -7.278 88 HA CYS 14 HA CYS 14 27.254 -9.379 -9.379 89 1HB CYS 14 HB2 CYS 14 28.644 -6.898 -6.898 90 2HB CYS 14 HB1 CYS 14 29.357 -8.169 -8.169 91 H ALA 15 HN ALA 15 26.871 -8.415 -8.415 92 HA ALA 15 HA ALA 15 29.127 -9.422 -9.422 93 1HB ALA 15 HB2 ALA 15 26.224 -9.221 -9.221 94 2HB ALA 15 HB1 ALA 15 27.274 -10.171 -10.171 95 3HB ALA 15 HB3 ALA 15 27.616 -8.463 -8.463 96 H ALA 16 HN ALA 16 26.460 -11.130 -11.130 97 HA ALA 16 HA ALA 16 27.022 -13.727 -13.727 98 1HB ALA 16 HB1 ALA 16 25.114 -12.583 -12.583 99 2HB ALA 16 HB3 ALA 16 25.875 -13.901 -13.901 100 3HB ALA 16 HB2 ALA 16 25.113 -14.216 -14.216 101 H CYS 17 HN CYS 17 28.198 -12.042 -12.042 102 HA CYS 17 HA CYS 17 29.838 -14.438 -14.438 103 1HB CYS 17 HB2 CYS 17 28.537 -12.455 -12.455 104 2HB CYS 17 HB1 CYS 17 30.276 -12.292 -12.292 105 H HIS 18 HN HIS 18 30.205 -12.296 -12.296 106 HA HIS 18 HA HIS 18 33.101 -12.067 -12.067 107 1HB HIS 18 HB2 HIS 18 31.266 -9.662 -9.662 108 2HB HIS 18 HB1 HIS 18 32.982 -9.552 -9.552 109 HD1 HIS 18 HD1 HIS 18 34.609 -10.713 -10.713 110 HD2 HIS 18 HD2 HIS 18 30.868 -9.513 -9.513 111 HE1 HIS 18 HE1 HIS 18 34.782 -10.554 -10.554 112 H MET 19 HN MET 19 30.609 -10.386 -10.386 113 HA MET 19 HA MET 19 30.585 -9.905 -9.905 114 1HB MET 19 HB2 MET 19 30.692 -12.164 -12.164 115 2HB MET 19 HB1 MET 19 29.373 -11.904 -11.904 116 1HG MET 19 HG2 MET 19 30.659 -13.119 -13.119 117 2HG MET 19 HG1 MET 19 31.951 -13.403 -13.403 118 1HE MET 19 HE3 MET 19 30.109 -15.201 -15.201 119 2HE MET 19 HE2 MET 19 31.302 -16.129 -16.129 120 3HE MET 19 HE1 MET 19 29.610 -16.616 -16.616 121 H GLY 20 HN GLY 20 32.472 -8.704 -8.704 122 1HA GLY 20 HA2 GLY 20 34.517 -8.319 -8.319 123 2HA GLY 20 HA1 GLY 20 34.483 -10.006 -10.006 124 H GLY 21 HN GLY 21 34.694 -8.310 -8.310 125 1HA GLY 21 HA2 GLY 21 35.904 -8.942 -8.942 126 2HA GLY 21 HA1 GLY 21 37.252 -8.752 -8.752 127 H GLY 22 HN GLY 22 34.746 -11.221 -11.221 128 1HA GLY 22 HA2 GLY 22 36.933 -13.240 -13.240 129 2HA GLY 22 HA1 GLY 22 35.552 -13.530 -13.530 130 H ASN 23 HN ASN 23 36.700 -13.630 -13.630 131 HA ASN 23 HA ASN 23 34.155 -13.834 -13.834 132 1HB ASN 23 HB2 ASN 23 36.760 -13.651 -13.651 133 2HB ASN 23 HB1 ASN 23 36.405 -15.348 -15.348 134 1HD2 ASN 23 HD22 ASN 23 34.864 -12.498 -12.498 135 2HD2 ASN 23 HD21 ASN 23 36.019 -12.157 -12.157 136 H VAL 24 HN VAL 24 32.862 -15.601 -15.601 137 HA VAL 24 HA VAL 24 33.713 -18.130 -18.130 138 HB VAL 24 HB VAL 24 31.506 -16.591 -16.591 139 1HG1 VAL 24 HG12 VAL 24 30.581 -17.275 -17.275 140 2HG1 VAL 24 HG11 VAL 24 30.495 -18.923 -18.923 141 3HG1 VAL 24 HG13 VAL 24 29.543 -17.645 -17.645 142 1HG2 VAL 24 HG23 VAL 24 31.960 -19.557 -19.557 143 2HG2 VAL 24 HG22 VAL 24 32.335 -18.277 -18.277 144 3HG2 VAL 24 HG21 VAL 24 30.655 -18.684 -18.684 145 H VAL 25 HN VAL 25 33.352 -16.748 -16.748 146 HA VAL 25 HA VAL 25 32.489 -19.303 -19.303 147 HB VAL 25 HB VAL 25 32.926 -16.654 -16.654 148 1HG1 VAL 25 HG12 VAL 25 31.583 -19.273 -19.273 149 2HG1 VAL 25 HG11 VAL 25 31.027 -17.797 -17.797 150 3HG1 VAL 25 HG13 VAL 25 32.694 -18.333 -18.333 151 1HG2 VAL 25 HG23 VAL 25 30.743 -17.535 -17.535 152 2HG2 VAL 25 HG22 VAL 25 31.247 -15.903 -15.903 153 3HG2 VAL 25 HG21 VAL 25 30.225 -16.838 -16.838 154 H MET 26 HN MET 26 35.052 -16.816 -16.816 155 HA MET 26 HA MET 26 36.701 -18.754 -18.754 156 1HB MET 26 HB2 MET 26 36.773 -15.774 -15.774 157 2HB MET 26 HB1 MET 26 38.246 -16.625 -16.625 158 1HG MET 26 HG2 MET 26 36.407 -17.741 -17.741 159 2HG MET 26 HG1 MET 26 35.792 -16.093 -16.093 160 1HE MET 26 HE2 MET 26 38.721 -18.323 -18.323 161 2HE MET 26 HE1 MET 26 38.262 -18.267 -18.267 162 3HE MET 26 HE3 MET 26 39.806 -17.580 -17.580 163 H ALA 27 HN ALA 27 38.949 -19.098 -19.098 164 HA ALA 27 HA ALA 27 39.236 -18.867 -18.867 165 1HB ALA 27 HB1 ALA 27 40.483 -20.820 -20.820 166 2HB ALA 27 HB3 ALA 27 40.849 -20.763 -20.763 167 3HB ALA 27 HB2 ALA 27 39.225 -21.182 -21.182 168 H ASN 28 HN ASN 28 39.915 -16.549 -16.549 169 HA ASN 28 HA ASN 28 42.598 -16.109 -16.109 170 1HB ASN 28 HB2 ASN 28 43.497 -15.709 -15.709 171 2HB ASN 28 HB1 ASN 28 43.322 -17.395 -17.395 172 1HD2 ASN 28 HD22 ASN 28 41.081 -15.962 -15.962 173 2HD2 ASN 28 HD21 ASN 28 42.173 -14.955 -14.955 174 H LYS 29 HN LYS 29 40.248 -15.111 -15.111 175 HA LYS 29 HA LYS 29 40.942 -12.296 -12.296 176 1HB LYS 29 HB2 LYS 29 39.085 -13.896 -13.896 177 2HB LYS 29 HB1 LYS 29 38.542 -12.261 -12.261 178 1HG LYS 29 HG2 LYS 29 40.347 -11.274 -11.274 179 2HG LYS 29 HG1 LYS 29 41.366 -12.703 -12.703 180 1HD LYS 29 HD2 LYS 29 39.987 -13.912 -13.912 181 2HD LYS 29 HD1 LYS 29 38.914 -12.520 -12.520 182 1HE LYS 29 HE2 LYS 29 40.259 -11.863 -11.863 183 2HE LYS 29 HE1 LYS 29 41.417 -11.421 -11.421 184 1HZ LYS 29 HZ3 LYS 29 41.547 -14.195 -14.195 185 2HZ LYS 29 HZ2 LYS 29 41.705 -13.362 -13.362 186 3HZ LYS 29 HZ1 LYS 29 42.762 -13.027 -13.027 187 H THR 30 HN THR 30 40.565 -11.842 -11.842 188 HA THR 30 HA THR 30 37.670 -11.806 -11.806 189 HB THR 30 HB THR 30 40.091 -12.404 -12.404 190 HG1 THR 30 HG1 THR 30 39.179 -14.145 -14.145 191 1HG2 THR 30 HG21 THR 30 37.219 -11.827 -11.827 192 2HG2 THR 30 HG23 THR 30 38.390 -12.580 -12.580 193 3HG2 THR 30 HG22 THR 30 38.657 -10.936 -10.936 194 H LEU 31 HN LEU 31 37.193 -10.042 -10.042 195 HA LEU 31 HA LEU 31 38.642 -7.594 -7.594 196 1HB LEU 31 HB2 LEU 31 36.600 -7.380 -7.380 197 2HB LEU 31 HB1 LEU 31 36.804 -6.434 -6.434 198 HG LEU 31 HG LEU 31 35.486 -9.137 -9.137 199 1HD1 LEU 31 HD13 LEU 31 34.216 -6.939 -6.939 200 2HD1 LEU 31 HD12 LEU 31 34.508 -6.631 -6.631 201 3HD1 LEU 31 HD11 LEU 31 33.561 -8.033 -8.033 202 1HD2 LEU 31 HD21 LEU 31 36.876 -7.925 -7.925 203 2HD2 LEU 31 HD23 LEU 31 36.471 -9.614 -9.614 204 3HD2 LEU 31 HD22 LEU 31 35.249 -8.519 -8.519 205 H LYS 32 HN LYS 32 40.638 -8.428 -8.428 206 HA LYS 32 HA LYS 32 40.283 -7.897 -7.897 207 1HB LYS 32 HB2 LYS 32 42.048 -9.759 -9.759 208 2HB LYS 32 HB1 LYS 32 42.715 -9.043 -9.043 209 1HG LYS 32 HG2 LYS 32 41.585 -10.587 -10.587 210 2HG LYS 32 HG1 LYS 32 40.085 -9.820 -9.820 211 1HD LYS 32 HD2 LYS 32 39.728 -11.939 -11.939 212 2HD LYS 32 HD1 LYS 32 40.593 -11.239 -11.239 213 1HE LYS 32 HE2 LYS 32 42.204 -12.790 -12.790 214 2HE LYS 32 HE1 LYS 32 42.542 -12.167 -12.167 215 1HZ LYS 32 HZ1 LYS 32 40.323 -13.572 -13.572 216 2HZ LYS 32 HZ3 LYS 32 41.003 -14.489 -14.489 217 3HZ LYS 32 HZ2 LYS 32 41.888 -14.210 -14.210 218 H LYS 33 HN LYS 33 43.305 -7.893 -7.893 219 HA LYS 33 HA LYS 33 43.511 -5.061 -5.061 220 1HB LYS 33 HB2 LYS 33 43.567 -4.982 -4.982 221 2HB LYS 33 HB1 LYS 33 44.861 -6.179 -6.179 222 1HG LYS 33 HG2 LYS 33 45.986 -4.104 -4.104 223 2HG LYS 33 HG1 LYS 33 46.173 -4.522 -4.522 224 1HD LYS 33 HD2 LYS 33 43.689 -3.086 -3.086 225 2HD LYS 33 HD1 LYS 33 45.067 -2.157 -2.157 226 1HE LYS 33 HE2 LYS 33 45.096 -3.477 -3.477 227 2HE LYS 33 HE1 LYS 33 44.422 -1.864 -1.864 228 1HZ LYS 33 HZ2 LYS 33 46.850 -1.897 -1.897 229 2HZ LYS 33 HZ1 LYS 33 47.132 -2.644 -2.644 230 3HZ LYS 33 HZ3 LYS 33 46.474 -1.082 -1.082 231 H GLU 34 HN GLU 34 45.461 -7.935 -7.935 232 HA GLU 34 HA GLU 34 47.634 -7.066 -7.066 233 1HB GLU 34 HB2 GLU 34 48.532 -9.404 -9.404 234 2HB GLU 34 HB1 GLU 34 48.342 -8.257 -8.257 235 1HG GLU 34 HG2 GLU 34 46.654 -9.451 -9.451 236 2HG GLU 34 HG1 GLU 34 45.937 -9.870 -9.870 237 H ALA 35 HN ALA 35 44.981 -9.386 -9.386 238 HA ALA 35 HA ALA 35 45.933 -10.703 -10.703 239 1HB ALA 35 HB2 ALA 35 43.599 -10.812 -10.812 240 2HB ALA 35 HB1 ALA 35 43.134 -10.895 -10.895 241 3HB ALA 35 HB3 ALA 35 44.273 -12.069 -12.069 242 H LEU 36 HN LEU 36 43.314 -8.340 -8.340 243 HA LEU 36 HA LEU 36 42.736 -7.868 -7.868 244 1HB LEU 36 HB2 LEU 36 42.122 -5.492 -5.492 245 2HB LEU 36 HB1 LEU 36 41.247 -6.868 -6.868 246 HG LEU 36 HG LEU 36 43.772 -6.158 -6.158 247 1HD1 LEU 36 HD11 LEU 36 41.800 -4.145 -4.145 248 2HD1 LEU 36 HD13 LEU 36 41.789 -4.488 -4.488 249 3HD1 LEU 36 HD12 LEU 36 43.286 -3.993 -3.993 250 1HD2 LEU 36 HD21 LEU 36 41.179 -7.411 -7.411 251 2HD2 LEU 36 HD23 LEU 36 42.699 -7.606 -7.606 252 3HD2 LEU 36 HD22 LEU 36 41.621 -6.270 -6.270 253 H GLU 37 HN GLU 37 45.330 -6.601 -6.601 254 HA GLU 37 HA GLU 37 46.199 -4.811 -4.811 255 1HB GLU 37 HB2 GLU 37 47.412 -5.497 -5.497 256 2HB GLU 37 HB1 GLU 37 48.010 -4.238 -4.238 257 1HG GLU 37 HG2 GLU 37 45.120 -4.067 -4.067 258 2HG GLU 37 HG1 GLU 37 46.027 -3.915 -3.915 259 H GLN 38 HN GLN 38 46.709 -8.025 -8.025 260 HA GLN 38 HA GLN 38 49.352 -8.474 -8.474 261 1HB GLN 38 HB2 GLN 38 48.382 -10.073 -10.073 262 2HB GLN 38 HB1 GLN 38 46.953 -10.260 -10.260 263 1HG GLN 38 HG2 GLN 38 48.377 -12.149 -12.149 264 2HG GLN 38 HG1 GLN 38 48.470 -11.087 -11.087 265 1HE2 GLN 38 HE22 GLN 38 51.799 -9.922 -9.922 266 2HE2 GLN 38 HE21 GLN 38 50.339 -9.406 -9.406 267 H PHE 39 HN PHE 39 46.094 -9.029 -9.029 268 HA PHE 39 HA PHE 39 47.206 -9.517 -9.517 269 1HB PHE 39 HB2 PHE 39 44.373 -9.102 -9.102 270 2HB PHE 39 HB1 PHE 39 45.259 -10.577 -10.577 271 HD1 PHE 39 HD1 PHE 39 45.596 -12.269 -12.269 272 HD2 PHE 39 HD2 PHE 39 43.384 -8.660 -8.660 273 HE1 PHE 39 HE1 PHE 39 44.651 -13.262 -13.262 274 HE2 PHE 39 HE2 PHE 39 42.451 -9.645 -9.645 275 HZ PHE 39 HZ PHE 39 43.078 -11.955 -11.955 276 H GLY 40 HN GLY 40 44.434 -7.511 -7.511 277 1HA GLY 40 HA2 GLY 40 45.377 -4.969 -4.969 278 2HA GLY 40 HA1 GLY 40 45.144 -5.557 -5.557 279 H MET 41 HN MET 41 43.496 -4.809 -4.809 280 HA MET 41 HA MET 41 41.053 -4.122 -4.122 281 1HB MET 41 HB2 MET 41 39.626 -5.850 -5.850 282 2HB MET 41 HB1 MET 41 41.035 -6.671 -6.671 283 1HG MET 41 HG2 MET 41 41.945 -6.338 -6.338 284 2HG MET 41 HG1 MET 41 40.207 -6.353 -6.353 285 1HE MET 41 HE2 MET 41 39.460 -8.077 -8.077 286 2HE MET 41 HE1 MET 41 39.719 -9.798 -9.798 287 3HE MET 41 HE3 MET 41 40.966 -8.829 -8.829 288 H TYR 42 HN TYR 42 43.017 -3.120 -3.120 289 HA TYR 42 HA TYR 42 41.185 -2.736 -2.736 290 1HB TYR 42 HB2 TYR 42 43.368 -3.580 -3.580 291 2HB TYR 42 HB1 TYR 42 44.161 -2.330 -2.330 292 HD1 TYR 42 HD1 TYR 42 41.516 -2.424 -2.424 293 HD2 TYR 42 HD2 TYR 42 45.088 -0.579 -0.579 294 HE1 TYR 42 HE1 TYR 42 41.553 -0.904 -0.904 295 HE2 TYR 42 HE2 TYR 42 45.116 0.954 0.954 296 HH TYR 42 HH TYR 42 42.495 1.407 1.407 297 H SER 43 HN SER 43 41.523 -1.305 -1.305 298 HA SER 43 HA SER 43 41.741 1.470 1.470 299 1HB SER 43 HB2 SER 43 42.505 0.156 0.156 300 2HB SER 43 HB1 SER 43 41.527 1.589 1.589 301 HG SER 43 HG SER 43 43.631 1.639 1.639 302 H GLU 44 HN GLU 44 40.017 2.891 2.891 303 HA GLU 44 HA GLU 44 37.372 2.089 2.089 304 1HB GLU 44 HB2 GLU 44 38.783 4.577 4.577 305 2HB GLU 44 HB1 GLU 44 37.409 4.589 4.589 306 1HG GLU 44 HG2 GLU 44 36.089 3.624 3.624 307 2HG GLU 44 HG1 GLU 44 37.427 4.279 4.279 308 H ASP 45 HN ASP 45 38.864 3.552 3.552 309 HA ASP 45 HA ASP 45 36.814 2.997 2.997 310 1HB ASP 45 HB2 ASP 45 38.884 4.256 4.256 311 2HB ASP 45 HB1 ASP 45 39.722 2.711 2.711 312 H ALA 46 HN ALA 46 39.233 0.751 0.751 313 HA ALA 46 HA ALA 46 38.711 -1.381 -1.381 314 1HB ALA 46 HB3 ALA 46 40.240 -0.985 -0.985 315 2HB ALA 46 HB2 ALA 46 39.444 -2.558 -2.558 316 3HB ALA 46 HB1 ALA 46 40.524 -2.120 -2.120 317 H ILE 47 HN ILE 47 37.902 -1.565 -1.565 318 HA ILE 47 HA ILE 47 35.801 -3.446 -3.446 319 HB ILE 47 HB ILE 47 37.071 -3.180 -3.180 320 1HG1 ILE 47 HG12 ILE 47 34.071 -2.969 -2.969 321 2HG1 ILE 47 HG11 ILE 47 35.068 -4.408 -4.408 322 1HG2 ILE 47 HG21 ILE 47 37.150 -0.717 -0.717 323 2HG2 ILE 47 HG23 ILE 47 35.413 -0.678 -0.678 324 3HG2 ILE 47 HG22 ILE 47 36.510 -1.365 -1.365 325 1HD1 ILE 47 HD11 ILE 47 36.012 -3.383 -3.383 326 2HD1 ILE 47 HD13 ILE 47 34.832 -2.088 -2.088 327 3HD1 ILE 47 HD12 ILE 47 34.291 -3.740 -3.740 328 H ILE 48 HN ILE 48 35.860 -0.188 -0.188 329 HA ILE 48 HA ILE 48 33.079 0.402 0.402 330 HB ILE 48 HB ILE 48 35.247 1.844 1.844 331 1HG1 ILE 48 HG12 ILE 48 33.444 2.710 2.710 332 2HG1 ILE 48 HG11 ILE 48 35.031 1.980 1.980 333 1HG2 ILE 48 HG21 ILE 48 33.081 2.078 2.078 334 2HG2 ILE 48 HG23 ILE 48 32.374 2.772 2.772 335 3HG2 ILE 48 HG22 ILE 48 33.704 3.596 3.596 336 1HD1 ILE 48 HD11 ILE 48 35.793 3.879 3.879 337 2HD1 ILE 48 HD13 ILE 48 34.320 4.669 4.669 338 3HD1 ILE 48 HD12 ILE 48 35.585 4.237 4.237 339 H TYR 49 HN TYR 49 34.958 -0.452 -0.452 340 HA TYR 49 HA TYR 49 32.489 -0.758 -0.758 341 1HB TYR 49 HB2 TYR 49 34.398 0.164 0.164 342 2HB TYR 49 HB1 TYR 49 35.427 -1.167 -1.167 343 HD1 TYR 49 HD1 TYR 49 32.612 -0.213 -0.213 344 HD2 TYR 49 HD2 TYR 49 35.255 -3.375 -3.375 345 HE1 TYR 49 HE1 TYR 49 31.859 -1.569 -1.569 346 HE2 TYR 49 HE2 TYR 49 34.500 -4.735 -4.735 347 HH TYR 49 HH TYR 49 33.448 -4.092 -4.092 348 H GLN 50 HN GLN 50 34.161 -2.542 -2.542 349 HA GLN 50 HA GLN 50 33.534 -5.125 -5.125 350 1HB GLN 50 HB2 GLN 50 35.620 -5.532 -5.532 351 2HB GLN 50 HB1 GLN 50 35.537 -4.202 -4.202 352 1HG GLN 50 HG2 GLN 50 34.134 -6.846 -6.846 353 2HG GLN 50 HG1 GLN 50 35.737 -6.497 -6.497 354 1HE2 GLN 50 HE22 GLN 50 33.468 -5.648 -5.648 355 2HE2 GLN 50 HE21 GLN 50 34.047 -7.046 -7.046 356 H VAL 51 HN VAL 51 32.343 -2.869 -2.869 357 HA VAL 51 HA VAL 51 30.690 -4.831 -4.831 358 HB VAL 51 HB VAL 51 31.016 -1.816 -1.816 359 1HG1 VAL 51 HG12 VAL 51 28.919 -3.605 -3.605 360 2HG1 VAL 51 HG11 VAL 51 29.427 -2.138 -2.138 361 3HG1 VAL 51 HG13 VAL 51 28.720 -2.035 -2.035 362 1HG2 VAL 51 HG21 VAL 51 32.327 -3.948 -3.948 363 2HG2 VAL 51 HG23 VAL 51 32.393 -2.246 -2.246 364 3HG2 VAL 51 HG22 VAL 51 31.205 -3.314 -3.314 365 H GLN 52 HN GLN 52 30.385 -2.037 -2.037 366 HA GLN 52 HA GLN 52 27.583 -2.005 -2.005 367 1HB GLN 52 HB2 GLN 52 29.886 -0.819 -0.819 368 2HB GLN 52 HB1 GLN 52 28.753 -1.317 -1.317 369 1HG GLN 52 HG2 GLN 52 27.296 0.319 0.319 370 2HG GLN 52 HG1 GLN 52 27.387 -0.070 -0.070 371 1HE2 GLN 52 HE22 GLN 52 30.401 2.106 2.106 372 2HE2 GLN 52 HE21 GLN 52 30.029 0.472 0.472 373 H HIS 53 HN HIS 53 29.841 -4.350 -4.350 374 HA HIS 53 HA HIS 53 27.745 -5.684 -5.684 375 1HB HIS 53 HB2 HIS 53 30.331 -5.739 -5.739 376 2HB HIS 53 HB1 HIS 53 28.751 -5.586 -5.586 377 HD1 HIS 53 HD1 HIS 53 28.527 -3.408 -3.408 378 HD2 HIS 53 HD2 HIS 53 30.907 -3.030 -3.030 379 HE1 HIS 53 HE1 HIS 53 29.237 -0.978 -0.978 380 H GLY 54 HN GLY 54 29.470 -5.918 -5.918 381 1HA GLY 54 HA2 GLY 54 30.677 -7.628 -7.628 382 2HA GLY 54 HA1 GLY 54 29.798 -8.703 -8.703 383 H LYS 55 HN LYS 55 31.271 -9.937 -9.937 384 HA LYS 55 HA LYS 55 32.883 -9.466 -9.466 385 1HB LYS 55 HB2 LYS 55 34.095 -8.260 -8.260 386 2HB LYS 55 HB1 LYS 55 35.161 -9.410 -9.410 387 1HG LYS 55 HG2 LYS 55 35.044 -6.837 -6.837 388 2HG LYS 55 HG1 LYS 55 35.390 -8.151 -8.151 389 1HD LYS 55 HD2 LYS 55 32.513 -7.680 -7.680 390 2HD LYS 55 HD1 LYS 55 33.373 -6.249 -6.249 391 1HE LYS 55 HE2 LYS 55 34.164 -7.314 -7.314 392 2HE LYS 55 HE1 LYS 55 33.953 -8.924 -8.924 393 1HZ LYS 55 HZ3 LYS 55 31.450 -7.976 -7.976 394 2HZ LYS 55 HZ2 LYS 55 32.045 -7.229 -7.229 395 3HZ LYS 55 HZ1 LYS 55 32.084 -8.921 -8.921 396 H ASN 56 HN ASN 56 33.615 -11.360 -11.360 397 HA ASN 56 HA ASN 56 34.187 -13.617 -13.617 398 1HB ASN 56 HB2 ASN 56 35.081 -12.913 -12.913 399 2HB ASN 56 HB1 ASN 56 35.348 -14.498 -14.498 400 1HD2 ASN 56 HD22 ASN 56 37.660 -11.336 -11.336 401 2HD2 ASN 56 HD21 ASN 56 36.392 -11.142 -11.142 402 H ALA 57 HN ALA 57 33.405 -13.629 -13.629 403 HA ALA 57 HA ALA 57 30.818 -14.968 -14.968 404 1HB ALA 57 HB1 ALA 57 33.144 -16.034 -16.034 405 2HB ALA 57 HB3 ALA 57 31.631 -16.188 -16.188 406 3HB ALA 57 HB2 ALA 57 31.778 -16.890 -16.890 407 H MET 58 HN MET 58 31.018 -12.249 -12.249 408 HA MET 58 HA MET 58 29.826 -12.297 -12.297 409 1HB MET 58 HB2 MET 58 31.857 -11.275 -11.275 410 2HB MET 58 HB1 MET 58 31.923 -10.465 -10.465 411 1HG MET 58 HG2 MET 58 29.900 -9.094 -9.094 412 2HG MET 58 HG1 MET 58 30.287 -9.738 -9.738 413 1HE MET 58 HE1 MET 58 30.413 -7.470 -7.470 414 2HE MET 58 HE3 MET 58 31.621 -6.237 -6.237 415 3HE MET 58 HE2 MET 58 30.300 -6.563 -6.563 416 HA PRO 59 HA PRO 59 26.340 -10.502 -10.502 417 1HB PRO 59 HB2 PRO 59 25.234 -9.334 -9.334 418 2HB PRO 59 HB1 PRO 59 25.122 -11.056 -11.056 419 1HG PRO 59 HG2 PRO 59 26.849 -9.659 -9.659 420 2HG PRO 59 HG1 PRO 59 26.186 -11.298 -11.298 421 1HD PRO 59 HD2 PRO 59 28.819 -10.674 -10.674 422 2HD PRO 59 HD1 PRO 59 28.012 -12.185 -12.185 423 H ALA 60 HN ALA 60 26.401 -8.765 -8.765 424 HA ALA 60 HA ALA 60 27.622 -6.301 -6.301 425 1HB ALA 60 HB3 ALA 60 24.853 -6.898 -6.898 426 2HB ALA 60 HB2 ALA 60 25.775 -5.436 -5.436 427 3HB ALA 60 HB1 ALA 60 26.360 -7.002 -7.002 428 H PHE 61 HN PHE 61 26.558 -4.161 -4.161 429 HA PHE 61 HA PHE 61 24.520 -4.437 -4.437 430 1HB PHE 61 HB2 PHE 61 27.264 -3.336 -3.336 431 2HB PHE 61 HB1 PHE 61 25.933 -2.655 -2.655 432 HD1 PHE 61 HD1 PHE 61 24.349 -4.359 -4.359 433 HD2 PHE 61 HD2 PHE 61 28.301 -5.317 -5.317 434 HE1 PHE 61 HE1 PHE 61 24.415 -6.279 -6.279 435 HE2 PHE 61 HE2 PHE 61 28.373 -7.237 -7.237 436 HZ PHE 61 HZ PHE 61 26.437 -7.704 -7.704 437 H ALA 62 HN ALA 62 25.203 -3.135 -3.135 438 HA ALA 62 HA ALA 62 24.869 -0.368 -0.368 439 1HB ALA 62 HB1 ALA 62 25.194 -1.882 -1.882 440 2HB ALA 62 HB3 ALA 62 23.433 -1.991 -1.991 441 3HB ALA 62 HB2 ALA 62 24.220 -0.421 -0.421 442 H GLY 63 HN GLY 63 22.617 -2.895 -2.895 443 1HA GLY 63 HA2 GLY 63 20.668 -0.830 -0.830 444 2HA GLY 63 HA1 GLY 63 20.099 -2.006 -2.006 445 H ARG 64 HN ARG 64 22.416 -2.905 -2.905 446 HA ARG 64 HA ARG 64 20.329 -4.655 -4.655 447 1HB ARG 64 HB2 ARG 64 23.250 -4.856 -4.856 448 2HB ARG 64 HB1 ARG 64 22.683 -5.404 -5.404 449 1HG ARG 64 HG2 ARG 64 21.558 -6.321 -6.321 450 2HG ARG 64 HG1 ARG 64 22.706 -7.237 -7.237 451 1HD ARG 64 HD2 ARG 64 21.042 -7.038 -7.038 452 2HD ARG 64 HD1 ARG 64 19.889 -6.430 -6.430 453 HE ARG 64 HE ARG 64 20.040 -8.628 -8.628 454 1HH1 ARG 64 HH21 ARG 64 22.528 -9.780 -9.780 455 2HH1 ARG 64 HH22 ARG 64 22.053 -10.822 -10.822 456 1HH2 ARG 64 HH11 ARG 64 18.954 -9.322 -9.322 457 2HH2 ARG 64 HH12 ARG 64 20.030 -10.559 -10.559 458 H LEU 65 HN LEU 65 23.033 -2.512 -2.512 459 HA LEU 65 HA LEU 65 22.197 -2.094 -2.094 460 1HB LEU 65 HB2 LEU 65 24.204 -0.457 -0.457 461 2HB LEU 65 HB1 LEU 65 24.145 -0.759 -0.759 462 HG LEU 65 HG LEU 65 24.905 -2.684 -2.684 463 1HD1 LEU 65 HD12 LEU 65 26.294 -1.085 -1.085 464 2HD1 LEU 65 HD11 LEU 65 26.624 -2.797 -2.797 465 3HD1 LEU 65 HD13 LEU 65 26.963 -2.069 -2.069 466 1HD2 LEU 65 HD22 LEU 65 23.762 -3.199 -3.199 467 2HD2 LEU 65 HD21 LEU 65 23.712 -4.203 -4.203 468 3HD2 LEU 65 HD23 LEU 65 25.167 -4.164 -4.164 469 H THR 66 HN THR 66 22.875 0.738 0.738 470 HA THR 66 HA THR 66 20.232 1.715 1.715 471 HB THR 66 HB THR 66 22.267 2.768 2.768 472 HG1 THR 66 HG1 THR 66 20.249 1.409 1.409 473 1HG2 THR 66 HG23 THR 66 20.165 4.347 4.347 474 2HG2 THR 66 HG22 THR 66 20.793 4.845 4.845 475 3HG2 THR 66 HG21 THR 66 21.880 4.715 4.715 476 H ASP 67 HN ASP 67 23.353 3.308 3.308 477 HA ASP 67 HA ASP 67 23.941 3.576 3.576 478 1HB ASP 67 HB2 ASP 67 21.847 5.009 5.009 479 2HB ASP 67 HB1 ASP 67 22.718 6.054 6.054 480 H GLU 68 HN GLU 68 23.826 5.580 5.580 481 HA GLU 68 HA GLU 68 26.572 6.461 6.461 482 1HB GLU 68 HB2 GLU 68 24.978 7.802 7.802 483 2HB GLU 68 HB1 GLU 68 24.405 6.413 6.413 484 1HG GLU 68 HG2 GLU 68 26.280 6.438 6.438 485 2HG GLU 68 HG1 GLU 68 27.297 7.227 7.227 486 H GLN 69 HN GLN 69 25.463 3.424 3.424 487 HA GLN 69 HA GLN 69 27.478 2.718 2.718 488 1HB GLN 69 HB2 GLN 69 25.657 0.586 0.586 489 2HB GLN 69 HB1 GLN 69 26.054 1.234 1.234 490 1HG GLN 69 HG2 GLN 69 24.050 2.381 2.381 491 2HG GLN 69 HG1 GLN 69 23.667 1.590 1.590 492 1HE2 GLN 69 HE22 GLN 69 25.688 4.670 4.670 493 2HE2 GLN 69 HE21 GLN 69 26.327 3.141 3.141 494 H ILE 70 HN ILE 70 26.284 2.085 2.085 495 HA ILE 70 HA ILE 70 28.178 -0.040 -0.040 496 HB ILE 70 HB ILE 70 27.362 2.070 2.070 497 1HG1 ILE 70 HG12 ILE 70 25.669 -0.304 -0.304 498 2HG1 ILE 70 HG11 ILE 70 25.566 0.615 0.615 499 1HG2 ILE 70 HG21 ILE 70 28.926 -0.234 -0.234 500 2HG2 ILE 70 HG23 ILE 70 27.366 -0.732 -0.732 501 3HG2 ILE 70 HG22 ILE 70 28.226 0.637 0.637 502 1HD1 ILE 70 HD13 ILE 70 25.451 2.673 2.673 503 2HD1 ILE 70 HD12 ILE 70 24.904 1.476 1.476 504 3HD1 ILE 70 HD11 ILE 70 24.002 1.722 1.722 505 H GLN 71 HN GLN 71 28.298 3.284 3.284 506 HA GLN 71 HA GLN 71 31.019 3.717 3.717 507 1HB GLN 71 HB2 GLN 71 28.853 5.413 5.413 508 2HB GLN 71 HB1 GLN 71 30.465 6.027 6.027 509 1HG GLN 71 HG2 GLN 71 29.463 4.673 4.673 510 2HG GLN 71 HG1 GLN 71 28.304 5.893 5.893 511 1HE2 GLN 71 HE22 GLN 71 30.937 8.502 8.502 512 2HE2 GLN 71 HE21 GLN 71 29.879 7.915 7.915 513 H ASP 72 HN ASP 72 29.320 4.674 4.674 514 HA ASP 72 HA ASP 72 31.353 4.802 4.802 515 1HB ASP 72 HB2 ASP 72 28.490 3.887 3.887 516 2HB ASP 72 HB1 ASP 72 29.565 4.055 4.055 517 H VAL 73 HN VAL 73 29.460 1.920 1.920 518 HA VAL 73 HA VAL 73 30.764 0.130 0.130 519 HB VAL 73 HB VAL 73 29.651 -0.622 -0.622 520 1HG1 VAL 73 HG12 VAL 73 30.906 -2.271 -2.271 521 2HG1 VAL 73 HG11 VAL 73 29.553 -2.100 -2.100 522 3HG1 VAL 73 HG13 VAL 73 29.284 -2.741 -2.741 523 1HG2 VAL 73 HG23 VAL 73 28.321 0.862 0.862 524 2HG2 VAL 73 HG22 VAL 73 27.552 -0.207 -0.207 525 3HG2 VAL 73 HG21 VAL 73 27.905 -0.787 -0.787 526 H ALA 74 HN ALA 74 31.389 1.026 1.026 527 HA ALA 74 HA ALA 74 33.541 -0.776 -0.776 528 1HB ALA 74 HB3 ALA 74 32.386 1.281 1.281 529 2HB ALA 74 HB2 ALA 74 33.993 1.917 1.917 530 3HB ALA 74 HB1 ALA 74 33.819 0.382 0.382 531 H ALA 75 HN ALA 75 33.801 2.657 2.657 532 HA ALA 75 HA ALA 75 36.493 2.584 2.584 533 1HB ALA 75 HB3 ALA 75 34.159 4.392 4.392 534 2HB ALA 75 HB2 ALA 75 35.302 4.524 4.524 535 3HB ALA 75 HB1 ALA 75 35.855 4.778 4.778 536 H TYR 76 HN TYR 76 33.565 1.380 1.380 537 HA TYR 76 HA TYR 76 34.169 1.410 1.410 538 1HB TYR 76 HB2 TYR 76 31.891 0.983 0.983 539 2HB TYR 76 HB1 TYR 76 32.444 -0.495 -0.495 540 HD1 TYR 76 HD1 TYR 76 31.664 1.063 1.063 541 HD2 TYR 76 HD2 TYR 76 32.968 -2.462 -2.462 542 HE1 TYR 76 HE1 TYR 76 31.215 -0.184 -0.184 543 HE2 TYR 76 HE2 TYR 76 32.514 -3.770 -3.770 544 HH TYR 76 HH TYR 76 31.674 -3.703 -3.703 545 H VAL 77 HN VAL 77 34.791 -0.897 -0.897 546 HA VAL 77 HA VAL 77 36.018 -2.798 -2.798 547 HB VAL 77 HB VAL 77 35.929 -2.538 -2.538 548 1HG1 VAL 77 HG12 VAL 77 37.550 -4.402 -4.402 549 2HG1 VAL 77 HG11 VAL 77 37.005 -4.900 -4.900 550 3HG1 VAL 77 HG13 VAL 77 38.064 -3.501 -3.501 551 1HG2 VAL 77 HG22 VAL 77 34.848 -4.576 -4.576 552 2HG2 VAL 77 HG21 VAL 77 33.904 -3.362 -3.362 553 3HG2 VAL 77 HG23 VAL 77 34.680 -4.673 -4.673 554 H LEU 78 HN LEU 78 36.980 0.028 0.028 555 HA LEU 78 HA LEU 78 39.859 -0.572 -0.572 556 1HB LEU 78 HB2 LEU 78 39.008 2.161 2.161 557 2HB LEU 78 HB1 LEU 78 40.260 1.132 1.132 558 HG LEU 78 HG LEU 78 37.274 0.938 0.938 559 1HD1 LEU 78 HD11 LEU 78 39.527 2.144 2.144 560 2HD1 LEU 78 HD13 LEU 78 38.697 0.962 0.962 561 3HD1 LEU 78 HD12 LEU 78 37.800 2.312 2.312 562 1HD2 LEU 78 HD22 LEU 78 39.246 -1.136 -1.136 563 2HD2 LEU 78 HD21 LEU 78 37.543 -1.241 -1.241 564 3HD2 LEU 78 HD23 LEU 78 38.755 -0.823 -0.823 565 H ASP 79 HN ASP 79 37.327 0.662 0.662 566 HA ASP 79 HA ASP 79 39.026 2.489 2.489 567 1HB ASP 79 HB2 ASP 79 36.505 2.810 2.810 568 2HB ASP 79 HB1 ASP 79 36.189 1.877 1.877 569 H GLN 80 HN GLN 80 37.234 -0.501 -0.501 570 HA GLN 80 HA GLN 80 37.778 -0.964 -0.964 571 1HB GLN 80 HB2 GLN 80 36.814 -2.928 -2.928 572 2HB GLN 80 HB1 GLN 80 36.565 -2.995 -2.995 573 1HG GLN 80 HG2 GLN 80 35.615 -0.509 -0.509 574 2HG GLN 80 HG1 GLN 80 34.776 -1.961 -1.961 575 1HE2 GLN 80 HE22 GLN 80 33.822 -0.481 -0.481 576 2HE2 GLN 80 HE21 GLN 80 34.662 0.390 0.390 577 H ALA 81 HN ALA 81 39.058 -2.048 -2.048 578 HA ALA 81 HA ALA 81 40.759 -4.114 -4.114 579 1HB ALA 81 HB1 ALA 81 40.931 -2.393 -2.393 580 2HB ALA 81 HB3 ALA 81 42.033 -3.729 -3.729 581 3HB ALA 81 HB2 ALA 81 40.310 -4.039 -4.039 582 H ALA 82 HN ALA 82 41.347 -0.658 -0.658 583 HA ALA 82 HA ALA 82 44.063 -0.894 -0.894 584 1HB ALA 82 HB2 ALA 82 42.504 1.113 1.113 585 2HB ALA 82 HB1 ALA 82 43.650 1.784 1.784 586 3HB ALA 82 HB3 ALA 82 44.215 0.706 0.706 587 H LYS 83 HN LYS 83 41.330 -1.001 -1.001 588 HA LYS 83 HA LYS 83 42.501 0.654 0.654 589 1HB LYS 83 HB2 LYS 83 40.585 1.893 1.893 590 2HB LYS 83 HB1 LYS 83 40.514 1.767 1.767 591 1HG LYS 83 HG2 LYS 83 39.039 -0.234 -0.234 592 2HG LYS 83 HG1 LYS 83 39.036 0.025 0.025 593 1HD LYS 83 HD2 LYS 83 37.958 1.887 1.887 594 2HD LYS 83 HD1 LYS 83 37.045 1.065 1.065 595 1HE LYS 83 HE2 LYS 83 39.147 3.211 3.211 596 2HE LYS 83 HE1 LYS 83 37.406 3.401 3.401 597 1HZ LYS 83 HZ3 LYS 83 37.481 1.694 1.694 598 2HZ LYS 83 HZ2 LYS 83 39.166 1.570 1.570 599 3HZ LYS 83 HZ1 LYS 83 38.475 3.013 3.013 600 H GLY 84 HN GLY 84 42.046 -2.338 -2.338 601 1HA GLY 84 HA2 GLY 84 41.974 -4.120 -4.120 602 2HA GLY 84 HA1 GLY 84 41.354 -2.988 -2.988 603 H TRP 85 HN TRP 85 40.448 -4.631 -4.631 604 HA TRP 85 HA TRP 85 37.750 -4.234 -4.234 605 1HB TRP 85 HB2 TRP 85 39.494 -6.573 -6.573 606 2HB TRP 85 HB1 TRP 85 37.807 -6.987 -6.987 607 HD1 TRP 85 HD1 TRP 85 40.098 -6.151 -6.151 608 HE1 TRP 85 HE1 TRP 85 38.823 -5.346 -5.346 609 HE3 TRP 85 HE3 TRP 85 35.544 -5.271 -5.271 610 HZ2 TRP 85 HZ2 TRP 85 36.204 -4.478 -4.478 611 HZ3 TRP 85 HZ3 TRP 85 33.667 -4.440 -4.440 612 HH2 TRP 85 HH2 TRP 85 33.983 -4.013 -4.013 613 H ALA 86 HN ALA 86 36.831 -3.689 -3.689 614 HA ALA 86 HA ALA 86 36.800 -5.535 -5.535 615 1HB ALA 86 HB3 ALA 86 36.488 -2.983 -2.983 616 2HB ALA 86 HB2 ALA 86 34.826 -3.295 -3.295 617 3HB ALA 86 HB1 ALA 86 35.426 -3.953 -3.953 618 H GLY 87 HN GLY 87 34.280 -4.482 -4.482 619 1HA GLY 87 HA2 GLY 87 32.209 -5.483 -5.483 620 2HA GLY 87 HA1 GLY 87 33.193 -6.945 -6.945 621 HHA HEC 88 HA HEM 88 36.510 -10.509 -10.509 622 HHB HEC 88 HB HEM 88 34.137 -5.550 -5.550 623 HHC HEC 88 HC HEM 88 28.565 -8.544 -8.544 624 HHD HEC 88 HD HEM 88 31.145 -13.691 -13.691 625 1HMA HEC 88 HMA1 HEM 88 36.753 -5.087 -5.087 626 2HMA HEC 88 HMA2 HEM 88 37.721 -6.010 -6.010 627 3HMA HEC 88 HMA3 HEM 88 36.154 -5.250 -5.250 628 1HAA HEC 88 HAA1 HEM 88 38.225 -9.135 -9.135 629 2HAA HEC 88 HAA2 HEM 88 38.443 -7.360 -7.360 630 1HBA HEC 88 HBA1 HEM 88 36.739 -8.483 -8.483 631 2HBA HEC 88 HBA2 HEM 88 37.458 -6.835 -6.835 632 1HMB HEC 88 HMB1 HEM 88 31.124 -3.824 -3.824 633 2HMB HEC 88 HMB2 HEM 88 31.796 -4.672 -4.672 634 3HMB HEC 88 HMB3 HEM 88 32.868 -4.293 -4.293 635 HAB HEC 88 HAB HEM 88 29.117 -5.366 -5.366 636 1HBB HEC 88 HBB1 HEM 88 27.592 -4.992 -4.992 637 2HBB HEC 88 HBB2 HEM 88 28.742 -3.822 -3.822 638 3HBB HEC 88 HBB3 HEM 88 29.318 -4.964 -4.964 639 1HMC HEC 88 HMC1 HEM 88 27.320 -10.110 -10.110 640 2HMC HEC 88 HMC2 HEM 88 26.642 -10.581 -10.581 641 3HMC HEC 88 HMC3 HEM 88 26.971 -11.850 -11.850 642 HAC HEC 88 HAC HEM 88 27.703 -13.463 -13.463 643 1HBC HEC 88 HBC1 HEM 88 29.786 -15.035 -15.035 644 2HBC HEC 88 HBC2 HEM 88 28.009 -14.917 -14.917 645 3HBC HEC 88 HBC3 HEM 88 29.115 -13.634 -13.634 646 1HMD HEC 88 HMD1 HEM 88 33.531 -14.847 -14.847 647 2HMD HEC 88 HMD2 HEM 88 34.015 -15.376 -15.376 648 3HMD HEC 88 HMD3 HEM 88 32.297 -14.925 -14.925 649 1HAD HEC 88 HAD1 HEM 88 35.988 -14.131 -14.131 650 2HAD HEC 88 HAD2 HEM 88 36.876 -12.623 -12.623 651 1HBD HEC 88 HBD1 HEM 88 36.365 -13.162 -13.162 652 2HBD HEC 88 HBD2 HEM 88 34.716 -12.533 -12.533
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