NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24360 | 2k24 | 15688 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.534 -0.565 -1.974 3 HB2 MET 1 2HB MET 1 3.213 1.489 -2.291 4 HB3 MET 1 3HB MET 1 1.468 1.667 -2.427 5 HG2 MET 1 2HG MET 1 2.437 3.446 -1.090 6 HG3 MET 1 3HG MET 1 1.350 2.446 -0.130 7 HE1 MET 1 3HE MET 1 5.284 0.994 -0.656 8 HE2 MET 1 1HE MET 1 4.795 2.463 -1.500 9 HE3 MET 1 2HE MET 1 5.873 2.565 -0.108 10 H THR 2 H THR 2 3.740 -0.735 -3.021 11 HA THR 2 HA THR 2 5.586 -1.975 -1.099 12 HB THR 2 HB THR 2 5.945 -2.394 -4.021 13 HG1 THR 2 HG1 THR 2 4.210 -3.699 -4.207 14 HG21 THR 2 3HG2 THR 2 7.372 -3.403 -2.196 15 HG22 THR 2 1HG2 THR 2 6.683 -4.551 -3.343 16 HG23 THR 2 2HG2 THR 2 5.967 -4.367 -1.742 17 H LEU 3 H LEU 3 7.568 -1.170 -0.784 18 HA LEU 3 HA LEU 3 8.452 1.019 -2.544 19 HB2 LEU 3 2HB LEU 3 8.106 0.963 0.215 20 HB3 LEU 3 3HB LEU 3 9.849 0.837 -0.015 21 HG LEU 3 HG LEU 3 10.008 2.949 -0.954 22 HD11 LEU 3 1HD1 LEU 3 8.564 3.192 -2.675 23 HD12 LEU 3 2HD1 LEU 3 7.660 4.122 -1.480 24 HD13 LEU 3 3HD1 LEU 3 7.225 2.444 -1.805 25 HD21 LEU 3 3HD2 LEU 3 9.630 3.519 1.223 26 HD22 LEU 3 1HD2 LEU 3 8.014 2.813 1.246 27 HD23 LEU 3 2HD2 LEU 3 8.285 4.369 0.461 28 H CYS 4 H CYS 4 10.308 0.811 -3.630 29 HA CYS 4 HA CYS 4 12.107 -1.401 -2.888 30 HB2 CYS 4 2HB CYS 4 12.375 -2.039 -5.103 31 HB3 CYS 4 3HB CYS 4 10.673 -1.593 -5.063 32 HG CYS 4 HG CYS 4 13.263 0.146 -6.440 33 H ALA 5 H ALA 5 14.357 -1.113 -3.603 34 HA ALA 5 HA ALA 5 15.157 1.674 -4.009 35 HB1 ALA 5 1HB ALA 5 17.005 0.540 -2.180 36 HB2 ALA 5 2HB ALA 5 15.944 1.931 -1.953 37 HB3 ALA 5 3HB ALA 5 15.382 0.314 -1.528 38 H MET 6 H MET 6 17.054 1.944 -5.142 39 HA MET 6 HA MET 6 18.282 -0.528 -6.172 40 HB2 MET 6 2HB MET 6 18.861 0.788 -8.190 41 HB3 MET 6 3HB MET 6 17.126 0.669 -7.928 42 HG2 MET 6 2HG MET 6 17.294 2.939 -6.804 43 HG3 MET 6 3HG MET 6 18.917 3.032 -7.484 44 HE1 MET 6 3HE MET 6 18.665 3.587 -11.036 45 HE2 MET 6 1HE MET 6 19.505 2.729 -9.745 46 HE3 MET 6 2HE MET 6 18.375 1.865 -10.788 47 H TYR 7 H TYR 7 20.341 -0.866 -5.668 48 HA TYR 7 HA TYR 7 21.984 1.444 -4.863 49 HB2 TYR 7 2HB TYR 7 23.008 0.174 -3.163 50 HB3 TYR 7 3HB TYR 7 21.296 -0.212 -3.031 51 HD1 TYR 7 HD1 TYR 7 20.459 -2.398 -3.884 52 HD2 TYR 7 HD2 TYR 7 24.613 -1.502 -3.686 53 HE1 TYR 7 HE1 TYR 7 20.979 -4.794 -4.080 54 HE2 TYR 7 HE2 TYR 7 25.145 -3.895 -3.883 55 HH TYR 7 HH TYR 7 22.963 -6.309 -3.389 56 H ASN 8 H ASN 8 24.054 1.574 -5.634 57 HA ASN 8 HA ASN 8 24.845 -0.482 -7.592 58 HB2 ASN 8 2HB ASN 8 25.770 1.187 -8.994 59 HB3 ASN 8 3HB ASN 8 24.202 1.816 -8.497 60 HD21 ASN 8 1HD2 ASN 8 27.656 2.038 -8.023 61 HD22 ASN 8 2HD2 ASN 8 27.653 3.615 -7.317 62 H ILE 9 H ILE 9 26.846 -1.337 -7.442 63 HA ILE 9 HA ILE 9 28.601 -0.274 -5.326 64 HB ILE 9 HB ILE 9 29.564 -2.672 -5.384 65 HG12 ILE 9 2HG1 ILE 9 28.015 -3.105 -7.474 66 HG13 ILE 9 3HG1 ILE 9 28.322 -4.386 -6.306 67 HG21 ILE 9 1HG2 ILE 9 26.921 -1.891 -4.198 68 HG22 ILE 9 2HG2 ILE 9 27.671 -3.449 -3.854 69 HG23 ILE 9 3HG2 ILE 9 28.504 -1.955 -3.423 70 HD11 ILE 9 3HD1 ILE 9 25.896 -3.826 -7.160 71 HD12 ILE 9 1HD1 ILE 9 26.198 -4.349 -5.504 72 HD13 ILE 9 2HD1 ILE 9 25.972 -2.636 -5.861 73 H SER 10 H SER 10 30.603 0.335 -5.860 74 HA SER 10 HA SER 10 31.527 -0.246 -8.595 75 HB2 SER 10 2HB SER 10 32.736 1.961 -6.991 76 HB3 SER 10 3HB SER 10 32.452 1.859 -8.729 77 HG SER 10 HG SER 10 30.401 2.144 -6.789 78 H MET 11 H MET 11 33.223 -1.537 -8.815 79 HA MET 11 HA MET 11 34.739 -2.329 -6.471 80 HB2 MET 11 2HB MET 11 35.663 -4.067 -7.863 81 HB3 MET 11 3HB MET 11 33.924 -4.007 -8.114 82 HG2 MET 11 2HG MET 11 35.335 -2.314 -9.986 83 HG3 MET 11 3HG MET 11 35.889 -3.986 -10.060 84 HE1 MET 11 3HE MET 11 33.275 -2.223 -12.498 85 HE2 MET 11 1HE MET 11 34.986 -2.577 -12.258 86 HE3 MET 11 2HE MET 11 33.953 -3.742 -13.085 87 H ALA 12 H ALA 12 34.962 0.117 -8.666 88 HA ALA 12 HA ALA 12 37.475 0.996 -7.846 89 HB1 ALA 12 1HB ALA 12 38.993 0.078 -9.191 90 HB2 ALA 12 2HB ALA 12 37.753 -1.093 -9.642 91 HB3 ALA 12 3HB ALA 12 37.999 0.352 -10.622 92 H GLY 13 H GLY 13 38.387 2.376 -10.073 93 HA2 GLY 13 2HA GLY 13 36.336 4.407 -10.284 94 HA3 GLY 13 3HA GLY 13 37.985 4.520 -10.881 95 H SER 14 H SER 14 35.520 2.071 -11.585 96 HA SER 14 HA SER 14 35.433 3.030 -14.361 97 HB2 SER 14 2HB SER 14 37.005 1.031 -14.006 98 HB3 SER 14 3HB SER 14 35.545 0.090 -13.698 99 HG SER 14 HG SER 14 36.178 0.003 -15.897 100 H HIS 15 H HIS 15 33.566 2.239 -15.573 101 HA HIS 15 HA HIS 15 31.153 2.786 -14.633 102 HB2 HIS 15 2HB HIS 15 31.815 0.447 -16.429 103 HB3 HIS 15 3HB HIS 15 30.182 1.057 -16.179 104 HD1 HIS 15 HD1 HIS 15 30.349 3.965 -16.537 105 HD2 HIS 15 HD2 HIS 15 32.677 1.376 -18.804 106 HE1 HIS 15 HE1 HIS 15 30.982 5.260 -18.598 107 HA PRO 16 HA PRO 16 30.856 -0.077 -11.155 108 HB2 PRO 16 2HB PRO 16 28.817 1.255 -9.955 109 HB3 PRO 16 3HB PRO 16 30.507 1.755 -9.814 110 HG2 PRO 16 2HG PRO 16 28.358 2.821 -11.605 111 HG3 PRO 16 3HG PRO 16 29.575 3.707 -10.668 112 HD2 PRO 16 2HD PRO 16 29.833 3.247 -13.324 113 HD3 PRO 16 3HD PRO 16 31.229 3.340 -12.231 114 H THR 17 H THR 17 28.779 -1.052 -10.097 115 HA THR 17 HA THR 17 26.961 -1.847 -12.277 116 HB THR 17 HB THR 17 27.789 -3.468 -9.861 117 HG1 THR 17 HG1 THR 17 28.679 -3.335 -12.514 118 HG21 THR 17 3HG2 THR 17 26.042 -4.183 -12.219 119 HG22 THR 17 1HG2 THR 17 25.507 -3.973 -10.552 120 HG23 THR 17 2HG2 THR 17 26.584 -5.306 -10.972 121 H THR 18 H THR 18 24.889 -1.340 -12.044 122 HA THR 18 HA THR 18 23.941 -0.498 -9.392 123 HB THR 18 HB THR 18 22.620 0.060 -12.050 124 HG1 THR 18 HG1 THR 18 24.150 1.489 -12.312 125 HG21 THR 18 3HG2 THR 18 20.965 0.548 -10.575 126 HG22 THR 18 1HG2 THR 18 21.866 2.055 -10.418 127 HG23 THR 18 2HG2 THR 18 22.081 0.770 -9.229 128 H ILE 19 H ILE 19 22.098 -1.348 -8.491 129 HA ILE 19 HA ILE 19 20.671 -3.438 -9.969 130 HB ILE 19 HB ILE 19 22.381 -3.861 -7.638 131 HG12 ILE 19 2HG1 ILE 19 21.063 -5.570 -9.743 132 HG13 ILE 19 3HG1 ILE 19 22.767 -5.160 -9.584 133 HG21 ILE 19 1HG2 ILE 19 20.856 -5.469 -6.543 134 HG22 ILE 19 2HG2 ILE 19 20.301 -3.801 -6.421 135 HG23 ILE 19 3HG2 ILE 19 19.551 -4.896 -7.581 136 HD11 ILE 19 3HD1 ILE 19 22.834 -6.504 -7.502 137 HD12 ILE 19 1HD1 ILE 19 21.173 -7.002 -7.822 138 HD13 ILE 19 2HD1 ILE 19 22.458 -7.439 -8.949 139 H CYS 20 H CYS 20 18.529 -3.678 -9.424 140 HA CYS 20 HA CYS 20 17.490 -1.804 -7.401 141 HB2 CYS 20 2HB CYS 20 15.413 -1.723 -8.854 142 HB3 CYS 20 3HB CYS 20 16.840 -0.932 -9.515 143 HG CYS 20 HG CYS 20 16.399 -2.054 -11.789 144 H VAL 21 H VAL 21 16.616 -2.817 -5.732 145 HA VAL 21 HA VAL 21 14.998 -5.214 -6.196 146 HB VAL 21 HB VAL 21 15.990 -6.314 -4.203 147 HG11 VAL 21 1HG1 VAL 21 16.758 -7.208 -6.202 148 HG12 VAL 21 2HG1 VAL 21 17.644 -5.743 -6.633 149 HG13 VAL 21 3HG1 VAL 21 18.251 -6.799 -5.357 150 HG21 VAL 21 3HG2 VAL 21 18.256 -4.355 -4.432 151 HG22 VAL 21 1HG2 VAL 21 16.919 -4.113 -3.309 152 HG23 VAL 21 2HG2 VAL 21 17.948 -5.538 -3.161 153 H VAL 22 H VAL 22 13.353 -5.548 -4.697 154 HA VAL 22 HA VAL 22 12.301 -3.231 -3.465 155 HB VAL 22 HB VAL 22 10.634 -4.807 -2.448 156 HG11 VAL 22 1HG1 VAL 22 9.572 -5.373 -4.564 157 HG12 VAL 22 2HG1 VAL 22 10.281 -3.759 -4.637 158 HG13 VAL 22 3HG1 VAL 22 11.096 -5.117 -5.413 159 HG21 VAL 22 3HG2 VAL 22 11.493 -7.048 -4.117 160 HG22 VAL 22 1HG2 VAL 22 12.588 -6.692 -2.780 161 HG23 VAL 22 2HG2 VAL 22 10.887 -7.034 -2.461 162 H MET 23 H MET 23 11.842 -2.891 -1.213 163 HA MET 23 HA MET 23 14.035 -3.067 0.464 164 HB2 MET 23 2HB MET 23 12.168 -1.510 0.818 165 HB3 MET 23 3HB MET 23 11.124 -2.856 1.256 166 HG2 MET 23 2HG MET 23 13.379 -3.047 2.912 167 HG3 MET 23 3HG MET 23 12.923 -1.345 2.887 168 HE1 MET 23 3HE MET 23 10.117 -4.783 4.129 169 HE2 MET 23 1HE MET 23 10.260 -4.314 2.435 170 HE3 MET 23 2HE MET 23 11.659 -4.962 3.291 171 H ASP 24 H ASP 24 11.290 -5.260 0.144 172 HA ASP 24 HA ASP 24 11.790 -6.891 2.359 173 HB2 ASP 24 2HB ASP 24 10.634 -7.745 -0.303 174 HB3 ASP 24 3HB ASP 24 10.425 -8.565 1.242 175 H ARG 25 H ARG 25 13.120 -6.952 -0.903 176 HA ARG 25 HA ARG 25 14.756 -9.282 -0.227 177 HB2 ARG 25 2HB ARG 25 14.394 -7.825 -2.852 178 HB3 ARG 25 3HB ARG 25 15.368 -9.271 -2.622 179 HG2 ARG 25 2HG ARG 25 12.533 -9.401 -1.780 180 HG3 ARG 25 3HG ARG 25 12.868 -9.351 -3.512 181 HD2 ARG 25 2HD ARG 25 14.503 -11.239 -3.116 182 HD3 ARG 25 3HD ARG 25 13.821 -11.370 -1.495 183 HE ARG 25 HE ARG 25 11.764 -11.447 -3.430 184 HH11 ARG 25 1HH1 ARG 25 14.348 -13.371 -2.111 185 HH12 ARG 25 2HH1 ARG 25 13.579 -14.883 -2.466 186 HH21 ARG 25 1HH2 ARG 25 10.741 -13.431 -3.902 187 HH22 ARG 25 2HH2 ARG 25 11.528 -14.915 -3.486 188 H PHE 26 H PHE 26 14.931 -5.911 -0.267 189 HA PHE 26 HA PHE 26 17.601 -5.480 -1.041 190 HB2 PHE 26 2HB PHE 26 15.921 -3.677 -0.815 191 HB3 PHE 26 3HB PHE 26 15.948 -3.890 0.932 192 HD1 PHE 26 HD1 PHE 26 18.705 -3.766 -1.569 193 HD2 PHE 26 HD2 PHE 26 16.883 -1.994 1.845 194 HE1 PHE 26 HE1 PHE 26 20.569 -2.168 -1.408 195 HE2 PHE 26 HE2 PHE 26 18.743 -0.393 2.011 196 HZ PHE 26 HZ PHE 26 20.589 -0.478 0.383 197 H LEU 27 H LEU 27 16.146 -6.119 2.126 198 HA LEU 27 HA LEU 27 18.430 -5.814 3.697 199 HB2 LEU 27 2HB LEU 27 17.272 -7.391 5.272 200 HB3 LEU 27 3HB LEU 27 16.342 -5.978 4.780 201 HG LEU 27 HG LEU 27 15.541 -7.864 2.961 202 HD11 LEU 27 1HD1 LEU 27 16.828 -9.332 4.931 203 HD12 LEU 27 2HD1 LEU 27 15.686 -9.942 3.734 204 HD13 LEU 27 3HD1 LEU 27 15.115 -9.462 5.332 205 HD21 LEU 27 3HD2 LEU 27 13.469 -7.629 3.941 206 HD22 LEU 27 1HD2 LEU 27 14.306 -6.197 4.541 207 HD23 LEU 27 2HD2 LEU 27 14.126 -7.611 5.579 208 H GLU 28 H GLU 28 17.124 -8.748 2.163 209 HA GLU 28 HA GLU 28 19.235 -10.433 3.037 210 HB2 GLU 28 2HB GLU 28 16.832 -10.988 2.102 211 HB3 GLU 28 3HB GLU 28 17.675 -11.035 0.560 212 HG2 GLU 28 2HG GLU 28 17.887 -13.210 1.123 213 HG3 GLU 28 3HG GLU 28 19.318 -12.592 1.945 214 H SER 29 H SER 29 18.578 -8.755 -0.019 215 HA SER 29 HA SER 29 20.721 -9.726 -1.503 216 HB2 SER 29 2HB SER 29 19.348 -7.032 -1.603 217 HB3 SER 29 3HB SER 29 20.508 -7.586 -2.810 218 HG SER 29 HG SER 29 17.927 -8.072 -2.734 219 H PHE 30 H PHE 30 20.570 -7.024 0.766 220 HA PHE 30 HA PHE 30 23.190 -6.063 0.276 221 HB2 PHE 30 2HB PHE 30 22.299 -4.402 1.485 222 HB3 PHE 30 3HB PHE 30 20.997 -5.444 2.050 223 HD1 PHE 30 HD2 PHE 30 24.567 -4.626 2.689 224 HD2 PHE 30 HD1 PHE 30 20.883 -6.042 4.281 225 HE1 PHE 30 HE2 PHE 30 25.540 -4.605 4.949 226 HE2 PHE 30 HE1 PHE 30 21.849 -6.023 6.544 227 HZ PHE 30 HZ PHE 30 24.181 -5.306 6.880 228 H SER 31 H SER 31 21.847 -8.253 2.720 229 HA SER 31 HA SER 31 24.129 -8.644 4.254 230 HB2 SER 31 2HB SER 31 22.292 -9.616 5.239 231 HB3 SER 31 3HB SER 31 21.669 -10.239 3.711 232 HG SER 31 HG SER 31 22.762 -11.698 5.419 233 H GLU 32 H GLU 32 23.034 -10.428 1.383 234 HA GLU 32 HA GLU 32 25.313 -12.155 1.346 235 HB2 GLU 32 2HB GLU 32 22.981 -12.574 0.335 236 HB3 GLU 32 3HB GLU 32 23.535 -11.595 -1.015 237 HG2 GLU 32 2HG GLU 32 23.960 -13.764 -1.703 238 HG3 GLU 32 3HG GLU 32 25.525 -13.205 -1.115 239 H LEU 33 H LEU 33 24.362 -9.234 -0.410 240 HA LEU 33 HA LEU 33 26.437 -9.135 -2.259 241 HB2 LEU 33 2HB LEU 33 24.531 -7.663 -2.394 242 HB3 LEU 33 3HB LEU 33 24.980 -6.889 -0.876 243 HG LEU 33 HG LEU 33 25.455 -5.677 -3.112 244 HD11 LEU 33 1HD1 LEU 33 27.117 -4.446 -2.080 245 HD12 LEU 33 2HD1 LEU 33 27.833 -5.861 -1.310 246 HD13 LEU 33 3HD1 LEU 33 26.307 -5.210 -0.712 247 HD21 LEU 33 3HD2 LEU 33 28.078 -7.036 -3.088 248 HD22 LEU 33 1HD2 LEU 33 27.164 -6.348 -4.431 249 HD23 LEU 33 2HD2 LEU 33 26.732 -7.934 -3.791 250 H TYR 34 H TYR 34 26.327 -8.040 1.093 251 HA TYR 34 HA TYR 34 28.838 -6.734 1.090 252 HB2 TYR 34 2HB TYR 34 27.316 -6.190 2.837 253 HB3 TYR 34 3HB TYR 34 27.133 -7.877 3.302 254 HD1 TYR 34 HD2 TYR 34 29.336 -4.940 3.447 255 HD2 TYR 34 HD1 TYR 34 28.758 -8.961 4.713 256 HE1 TYR 34 HE2 TYR 34 31.120 -4.664 5.118 257 HE2 TYR 34 HE1 TYR 34 30.539 -8.696 6.388 258 HH TYR 34 HH TYR 34 31.630 -6.844 7.638 259 H ASP 35 H ASP 35 27.851 -10.053 1.585 260 HA ASP 35 HA ASP 35 30.345 -10.954 2.646 261 HB2 ASP 35 2HB ASP 35 27.765 -12.060 2.179 262 HB3 ASP 35 3HB ASP 35 28.943 -13.090 1.370 263 H ILE 36 H ILE 36 29.035 -10.515 -0.549 264 HA ILE 36 HA ILE 36 31.253 -11.962 -1.777 265 HB ILE 36 HB ILE 36 29.103 -12.370 -2.775 266 HG12 ILE 36 2HG1 ILE 36 31.339 -11.659 -4.169 267 HG13 ILE 36 3HG1 ILE 36 29.885 -12.334 -4.896 268 HG21 ILE 36 1HG2 ILE 36 27.879 -10.430 -2.127 269 HG22 ILE 36 2HG2 ILE 36 28.940 -9.378 -3.061 270 HG23 ILE 36 3HG2 ILE 36 27.862 -10.502 -3.889 271 HD11 ILE 36 3HD1 ILE 36 30.314 -9.383 -4.567 272 HD12 ILE 36 1HD1 ILE 36 30.839 -10.279 -5.992 273 HD13 ILE 36 2HD1 ILE 36 29.126 -10.211 -5.574 274 H ILE 37 H ILE 37 30.278 -8.758 -1.004 275 HA ILE 37 HA ILE 37 31.619 -7.277 -2.959 276 HB ILE 37 HB ILE 37 30.019 -6.444 -1.130 277 HG12 ILE 37 2HG1 ILE 37 31.305 -4.198 -1.040 278 HG13 ILE 37 3HG1 ILE 37 32.502 -5.012 -2.041 279 HG21 ILE 37 1HG2 ILE 37 30.710 -6.163 0.986 280 HG22 ILE 37 2HG2 ILE 37 31.945 -7.348 0.563 281 HG23 ILE 37 3HG2 ILE 37 32.316 -5.626 0.495 282 HD11 ILE 37 3HD1 ILE 37 30.354 -5.586 -3.478 283 HD12 ILE 37 1HD1 ILE 37 29.762 -4.117 -2.703 284 HD13 ILE 37 2HD1 ILE 37 31.239 -4.072 -3.667 285 H ASP 38 H ASP 38 32.847 -9.203 -0.421 286 HA ASP 38 HA ASP 38 35.283 -7.887 0.103 287 HB2 ASP 38 2HB ASP 38 34.188 -9.824 1.391 288 HB3 ASP 38 3HB ASP 38 34.935 -10.877 0.193 289 H GLU 39 H GLU 39 34.216 -9.844 -2.540 290 HA GLU 39 HA GLU 39 36.880 -10.417 -3.503 291 HB2 GLU 39 2HB GLU 39 34.154 -10.848 -4.730 292 HB3 GLU 39 3HB GLU 39 35.662 -11.346 -5.484 293 HG2 GLU 39 2HG GLU 39 34.849 -12.277 -2.750 294 HG3 GLU 39 3HG GLU 39 34.365 -13.116 -4.223 295 H ASN 40 H ASN 40 36.916 -10.004 -6.119 296 HA ASN 40 HA ASN 40 36.089 -7.293 -6.744 297 HB2 ASN 40 2HB ASN 40 38.323 -7.154 -5.540 298 HB3 ASN 40 3HB ASN 40 39.019 -8.004 -6.917 299 HD21 ASN 40 1HD2 ASN 40 37.288 -5.104 -5.946 300 HD22 ASN 40 2HD2 ASN 40 37.849 -4.112 -7.245 301 H ASP 41 H ASP 41 35.837 -10.182 -7.675 302 HA ASP 41 HA ASP 41 36.980 -10.066 -10.345 303 HB2 ASP 41 2HB ASP 41 36.718 -12.166 -8.791 304 HB3 ASP 41 3HB ASP 41 35.086 -12.208 -9.451 305 H THR 42 H THR 42 35.890 -9.646 -12.186 306 HA THR 42 HA THR 42 33.397 -8.299 -12.039 307 HB THR 42 HB THR 42 33.527 -8.047 -14.412 308 HG1 THR 42 HG1 THR 42 34.813 -9.332 -15.688 309 HG21 THR 42 3HG2 THR 42 36.426 -8.084 -13.666 310 HG22 THR 42 1HG2 THR 42 35.320 -6.976 -12.855 311 HG23 THR 42 2HG2 THR 42 35.528 -6.890 -14.604 312 H ASP 43 H ASP 43 34.353 -11.557 -12.967 313 HA ASP 43 HA ASP 43 31.875 -12.358 -14.062 314 HB2 ASP 43 2HB ASP 43 34.254 -13.490 -14.118 315 HB3 ASP 43 3HB ASP 43 33.663 -14.318 -12.681 316 H VAL 44 H VAL 44 33.237 -12.617 -10.801 317 HA VAL 44 HA VAL 44 31.048 -14.042 -9.693 318 HB VAL 44 HB VAL 44 33.102 -12.311 -8.309 319 HG11 VAL 44 1HG1 VAL 44 31.747 -12.551 -6.543 320 HG12 VAL 44 2HG1 VAL 44 30.794 -13.812 -7.329 321 HG13 VAL 44 3HG1 VAL 44 32.307 -14.223 -6.519 322 HG21 VAL 44 3HG2 VAL 44 33.520 -14.636 -9.699 323 HG22 VAL 44 1HG2 VAL 44 34.544 -14.019 -8.402 324 HG23 VAL 44 2HG2 VAL 44 33.295 -15.213 -8.048 325 H MET 45 H MET 45 31.870 -10.607 -9.877 326 HA MET 45 HA MET 45 29.693 -9.719 -8.278 327 HB2 MET 45 2HB MET 45 31.613 -8.387 -10.156 328 HB3 MET 45 3HB MET 45 30.225 -7.497 -9.543 329 HG2 MET 45 2HG MET 45 32.115 -8.908 -7.699 330 HG3 MET 45 3HG MET 45 32.447 -7.286 -8.301 331 HE1 MET 45 3HE MET 45 30.447 -5.755 -8.579 332 HE2 MET 45 1HE MET 45 28.987 -5.768 -7.588 333 HE3 MET 45 2HE MET 45 30.436 -4.944 -7.012 334 H MET 46 H MET 46 30.209 -9.979 -11.777 335 HA MET 46 HA MET 46 27.702 -8.876 -12.510 336 HB2 MET 46 2HB MET 46 28.227 -9.503 -14.718 337 HB3 MET 46 3HB MET 46 29.779 -9.150 -13.970 338 HG2 MET 46 2HG MET 46 30.170 -11.533 -13.638 339 HG3 MET 46 3HG MET 46 28.608 -11.893 -14.370 340 HE1 MET 46 3HE MET 46 29.043 -11.339 -18.067 341 HE2 MET 46 1HE MET 46 27.999 -11.743 -16.703 342 HE3 MET 46 2HE MET 46 28.413 -10.060 -17.028 343 H ASP 47 H ASP 47 28.820 -12.150 -11.860 344 HA ASP 47 HA ASP 47 26.465 -13.463 -12.757 345 HB2 ASP 47 2HB ASP 47 28.417 -14.795 -12.616 346 HB3 ASP 47 3HB ASP 47 28.736 -14.293 -10.958 347 H PHE 48 H PHE 48 27.558 -12.287 -9.608 348 HA PHE 48 HA PHE 48 25.336 -13.325 -8.159 349 HB2 PHE 48 2HB PHE 48 27.290 -12.889 -6.895 350 HB3 PHE 48 3HB PHE 48 27.433 -11.254 -7.532 351 HD1 PHE 48 HD1 PHE 48 25.664 -13.417 -5.163 352 HD2 PHE 48 HD2 PHE 48 26.149 -9.445 -6.615 353 HE1 PHE 48 HE1 PHE 48 24.435 -12.557 -3.212 354 HE2 PHE 48 HE2 PHE 48 24.922 -8.579 -4.666 355 HZ PHE 48 HZ PHE 48 24.064 -10.136 -2.961 356 H ILE 49 H ILE 49 26.135 -10.119 -9.453 357 HA ILE 49 HA ILE 49 23.848 -8.787 -8.507 358 HB ILE 49 HB ILE 49 25.930 -8.236 -10.523 359 HG12 ILE 49 2HG1 ILE 49 25.477 -5.900 -9.346 360 HG13 ILE 49 3HG1 ILE 49 24.664 -6.918 -8.162 361 HG21 ILE 49 1HG2 ILE 49 24.114 -7.810 -11.972 362 HG22 ILE 49 2HG2 ILE 49 23.183 -7.028 -10.695 363 HG23 ILE 49 3HG2 ILE 49 24.616 -6.237 -11.351 364 HD11 ILE 49 3HD1 ILE 49 26.824 -8.269 -8.103 365 HD12 ILE 49 1HD1 ILE 49 27.553 -6.904 -8.948 366 HD13 ILE 49 2HD1 ILE 49 26.835 -6.673 -7.353 367 H SER 50 H SER 50 24.507 -10.310 -11.653 368 HA SER 50 HA SER 50 22.001 -9.732 -12.803 369 HB2 SER 50 2HB SER 50 24.131 -10.508 -13.985 370 HB3 SER 50 3HB SER 50 23.684 -12.141 -13.491 371 HG SER 50 HG SER 50 22.886 -10.957 -15.627 372 H ARG 51 H ARG 51 23.157 -12.434 -10.865 373 HA ARG 51 HA ARG 51 20.813 -14.027 -11.204 374 HB2 ARG 51 2HB ARG 51 23.028 -14.961 -10.585 375 HB3 ARG 51 3HB ARG 51 22.903 -14.162 -9.024 376 HG2 ARG 51 2HG ARG 51 20.667 -15.935 -9.794 377 HG3 ARG 51 3HG ARG 51 22.210 -16.703 -9.417 378 HD2 ARG 51 2HD ARG 51 22.093 -15.052 -7.345 379 HD3 ARG 51 3HD ARG 51 20.364 -15.171 -7.665 380 HE ARG 51 HE ARG 51 22.030 -17.170 -6.503 381 HH11 ARG 51 1HH1 ARG 51 19.228 -16.685 -8.511 382 HH12 ARG 51 2HH1 ARG 51 18.512 -18.210 -8.106 383 HH21 ARG 51 1HH2 ARG 51 21.098 -19.180 -5.962 384 HH22 ARG 51 2HH2 ARG 51 19.576 -19.628 -6.655 385 H PHE 52 H PHE 52 21.791 -11.509 -9.005 386 HA PHE 52 HA PHE 52 19.547 -12.007 -7.220 387 HB2 PHE 52 2HB PHE 52 22.004 -10.353 -7.138 388 HB3 PHE 52 3HB PHE 52 20.603 -9.706 -6.289 389 HD1 PHE 52 HD1 PHE 52 22.120 -13.096 -6.694 390 HD2 PHE 52 HD2 PHE 52 20.678 -10.098 -4.039 391 HE1 PHE 52 HE1 PHE 52 22.612 -14.560 -4.779 392 HE2 PHE 52 HE2 PHE 52 21.168 -11.557 -2.120 393 HZ PHE 52 HZ PHE 52 22.137 -13.792 -2.488 394 H ALA 53 H ALA 53 20.219 -10.226 -10.018 395 HA ALA 53 HA ALA 53 17.948 -8.419 -9.506 396 HB1 ALA 53 1HB ALA 53 18.945 -7.050 -11.385 397 HB2 ALA 53 2HB ALA 53 19.867 -7.096 -9.881 398 HB3 ALA 53 3HB ALA 53 20.371 -8.081 -11.255 399 H ARG 54 H ARG 54 16.684 -7.838 -11.483 400 HA ARG 54 HA ARG 54 16.643 -9.904 -13.545 401 HB2 ARG 54 2HB ARG 54 14.536 -9.467 -11.496 402 HB3 ARG 54 3HB ARG 54 13.999 -9.759 -13.144 403 HG2 ARG 54 2HG ARG 54 15.711 -11.766 -12.962 404 HG3 ARG 54 3HG ARG 54 15.368 -11.573 -11.242 405 HD2 ARG 54 2HD ARG 54 13.692 -13.015 -11.766 406 HD3 ARG 54 3HD ARG 54 12.871 -11.503 -12.149 407 HE ARG 54 HE ARG 54 14.072 -12.211 -14.485 408 HH11 ARG 54 1HH1 ARG 54 11.894 -13.801 -12.283 409 HH12 ARG 54 2HH1 ARG 54 11.136 -14.754 -13.516 410 HH21 ARG 54 1HH2 ARG 54 13.083 -13.461 -16.116 411 HH22 ARG 54 2HH2 ARG 54 11.815 -14.561 -15.696 412 H THR 55 H THR 55 17.022 -6.859 -13.059 413 HA THR 55 HA THR 55 16.506 -4.883 -14.088 414 HB THR 55 HB THR 55 16.380 -4.973 -16.522 415 HG1 THR 55 HG1 THR 55 15.930 -6.824 -17.590 416 HG21 THR 55 3HG2 THR 55 18.497 -5.698 -15.065 417 HG22 THR 55 1HG2 THR 55 18.525 -5.677 -16.827 418 HG23 THR 55 2HG2 THR 55 18.265 -7.195 -15.967 419 H ASP 56 H ASP 56 14.596 -4.420 -12.919 420 HA ASP 56 HA ASP 56 12.194 -4.498 -14.584 421 HB2 ASP 56 2HB ASP 56 12.547 -6.163 -12.328 422 HB3 ASP 56 3HB ASP 56 11.423 -4.896 -11.844 423 H GLU 57 H GLU 57 10.634 -2.882 -14.061 424 HA GLU 57 HA GLU 57 11.839 -0.574 -12.716 425 HB2 GLU 57 2HB GLU 57 10.274 0.790 -13.939 426 HB3 GLU 57 3HB GLU 57 11.053 -0.317 -15.061 427 HG2 GLU 57 2HG GLU 57 9.016 -0.818 -15.776 428 HG3 GLU 57 3HG GLU 57 8.811 -1.701 -14.264 429 H ILE 58 H ILE 58 9.590 0.904 -12.144 430 HA ILE 58 HA ILE 58 8.384 -0.679 -9.975 431 HB ILE 58 HB ILE 58 7.807 1.840 -9.243 432 HG12 ILE 58 2HG1 ILE 58 9.883 3.203 -9.633 433 HG13 ILE 58 3HG1 ILE 58 10.391 1.995 -10.808 434 HG21 ILE 58 1HG2 ILE 58 9.318 1.530 -7.545 435 HG22 ILE 58 2HG2 ILE 58 9.171 -0.117 -8.156 436 HG23 ILE 58 3HG2 ILE 58 10.555 0.874 -8.617 437 HD11 ILE 58 3HD1 ILE 58 8.828 2.634 -12.342 438 HD12 ILE 58 1HD1 ILE 58 7.715 3.248 -11.119 439 HD13 ILE 58 2HD1 ILE 58 9.152 4.176 -11.550 440 H MET 59 H MET 59 6.249 -1.001 -9.941 441 HA MET 59 HA MET 59 4.641 -0.085 -12.132 442 HB2 MET 59 2HB MET 59 4.423 -2.057 -9.992 443 HB3 MET 59 3HB MET 59 2.907 -1.221 -10.298 444 HG2 MET 59 2HG MET 59 3.338 -1.771 -12.767 445 HG3 MET 59 3HG MET 59 4.521 -2.924 -12.153 446 HE1 MET 59 3HE MET 59 1.598 -4.440 -13.746 447 HE2 MET 59 1HE MET 59 0.370 -3.398 -13.026 448 HE3 MET 59 2HE MET 59 1.796 -2.687 -13.783 449 HA PRO 60 HA PRO 60 2.659 3.428 -10.410 450 HB2 PRO 60 2HB PRO 60 0.065 3.093 -11.139 451 HB3 PRO 60 3HB PRO 60 1.340 3.508 -12.290 452 HG2 PRO 60 2HG PRO 60 0.114 0.841 -11.703 453 HG3 PRO 60 3HG PRO 60 0.529 1.561 -13.269 454 HD2 PRO 60 2HD PRO 60 2.094 -0.284 -12.054 455 HD3 PRO 60 3HD PRO 60 2.758 1.008 -13.075 456 H GLU 61 H GLU 61 1.740 0.299 -9.369 457 HA GLU 61 HA GLU 61 -0.105 1.227 -7.337 458 HB2 GLU 61 2HB GLU 61 -0.498 -1.039 -6.838 459 HB3 GLU 61 3HB GLU 61 -0.277 -0.995 -8.582 460 HG2 GLU 61 2HG GLU 61 2.191 -1.553 -8.031 461 HG3 GLU 61 3HG GLU 61 1.544 -2.067 -6.475 462 H ASP 62 H ASP 62 3.255 0.692 -7.660 463 HA ASP 62 HA ASP 62 3.584 0.992 -4.748 464 HB2 ASP 62 2HB ASP 62 5.910 -0.209 -5.923 465 HB3 ASP 62 3HB ASP 62 4.860 -0.840 -4.658 466 H LYS 63 H LYS 63 6.278 1.411 -4.629 467 HA LYS 63 HA LYS 63 7.003 3.502 -6.505 468 HB2 LYS 63 2HB LYS 63 7.525 4.751 -4.078 469 HB3 LYS 63 3HB LYS 63 6.266 5.183 -5.227 470 HG2 LYS 63 2HG LYS 63 4.627 3.981 -4.046 471 HG3 LYS 63 3HG LYS 63 5.835 3.127 -3.083 472 HD2 LYS 63 2HD LYS 63 5.227 4.690 -1.548 473 HD3 LYS 63 3HD LYS 63 6.458 5.629 -2.396 474 HE2 LYS 63 2HE LYS 63 4.762 7.145 -2.439 475 HE3 LYS 63 3HE LYS 63 4.380 6.264 -3.918 476 HZ1 LYS 63 3HZ LYS 63 2.524 6.703 -2.216 477 HZ2 LYS 63 1HZ LYS 63 3.213 5.427 -1.345 478 HZ3 LYS 63 2HZ LYS 63 2.633 5.166 -2.912 479 H THR 64 H THR 64 9.154 4.587 -5.484 480 HA THR 64 HA THR 64 10.862 2.326 -4.669 481 HB THR 64 HB THR 64 11.603 4.685 -6.410 482 HG1 THR 64 HG1 THR 64 11.725 3.136 -8.037 483 HG21 THR 64 3HG2 THR 64 13.787 3.736 -6.589 484 HG22 THR 64 1HG2 THR 64 13.303 2.301 -5.687 485 HG23 THR 64 2HG2 THR 64 13.413 3.859 -4.870 486 H VAL 65 H VAL 65 11.454 2.545 -2.616 487 HA VAL 65 HA VAL 65 11.257 4.777 -1.020 488 HB VAL 65 HB VAL 65 11.609 2.729 0.081 489 HG11 VAL 65 1HG1 VAL 65 13.901 2.444 -1.797 490 HG12 VAL 65 2HG1 VAL 65 13.977 1.624 -0.236 491 HG13 VAL 65 3HG1 VAL 65 12.654 1.279 -1.351 492 HG21 VAL 65 3HG2 VAL 65 12.941 3.493 1.714 493 HG22 VAL 65 1HG2 VAL 65 14.331 3.640 0.638 494 HG23 VAL 65 2HG2 VAL 65 13.122 4.922 0.695 495 H GLY 66 H GLY 66 13.942 3.786 -3.081 496 HA2 GLY 66 2HA GLY 66 14.950 6.174 -3.780 497 HA3 GLY 66 3HA GLY 66 15.617 5.972 -2.167 498 H PHE 67 H PHE 67 17.630 6.156 -3.533 499 HA PHE 67 HA PHE 67 18.467 3.452 -4.334 500 HB2 PHE 67 2HB PHE 67 19.767 4.361 -6.170 501 HB3 PHE 67 3HB PHE 67 18.089 4.865 -6.340 502 HD1 PHE 67 HD1 PHE 67 21.485 5.968 -5.484 503 HD2 PHE 67 HD2 PHE 67 17.463 7.163 -6.199 504 HE1 PHE 67 HE1 PHE 67 22.211 8.315 -5.621 505 HE2 PHE 67 HE2 PHE 67 18.183 9.512 -6.338 506 HZ PHE 67 HZ PHE 67 20.559 10.090 -6.050 507 H VAL 68 H VAL 68 20.638 2.923 -3.937 508 HA VAL 68 HA VAL 68 22.022 4.762 -2.093 509 HB VAL 68 HB VAL 68 22.055 1.741 -2.088 510 HG11 VAL 68 1HG1 VAL 68 23.214 2.555 0.249 511 HG12 VAL 68 2HG1 VAL 68 24.088 2.011 -1.184 512 HG13 VAL 68 3HG1 VAL 68 23.837 3.734 -0.904 513 HG21 VAL 68 3HG2 VAL 68 21.215 2.487 0.370 514 HG22 VAL 68 1HG2 VAL 68 20.520 3.774 -0.615 515 HG23 VAL 68 2HG2 VAL 68 20.132 2.090 -0.964 516 H VAL 69 H VAL 69 24.011 5.392 -2.635 517 HA VAL 69 HA VAL 69 25.299 4.077 -4.929 518 HB VAL 69 HB VAL 69 25.812 6.835 -3.809 519 HG11 VAL 69 1HG1 VAL 69 27.114 7.191 -5.840 520 HG12 VAL 69 2HG1 VAL 69 27.766 5.846 -4.902 521 HG13 VAL 69 3HG1 VAL 69 26.799 5.531 -6.343 522 HG21 VAL 69 3HG2 VAL 69 24.805 7.302 -6.240 523 HG22 VAL 69 1HG2 VAL 69 23.948 5.807 -5.864 524 HG23 VAL 69 2HG2 VAL 69 23.800 7.202 -4.794 525 H VAL 70 H VAL 70 26.956 2.792 -4.501 526 HA VAL 70 HA VAL 70 28.661 3.411 -2.177 527 HB VAL 70 HB VAL 70 28.085 0.619 -3.163 528 HG11 VAL 70 1HG1 VAL 70 30.196 1.334 -1.784 529 HG12 VAL 70 2HG1 VAL 70 29.061 1.316 -0.433 530 HG13 VAL 70 3HG1 VAL 70 29.323 -0.145 -1.386 531 HG21 VAL 70 3HG2 VAL 70 26.877 0.766 -0.734 532 HG22 VAL 70 1HG2 VAL 70 26.533 2.366 -1.389 533 HG23 VAL 70 2HG2 VAL 70 26.041 0.925 -2.278 534 H ASN 71 H ASN 71 30.645 3.929 -2.791 535 HA ASN 71 HA ASN 71 31.748 2.659 -5.212 536 HB2 ASN 71 2HB ASN 71 32.409 5.412 -4.144 537 HB3 ASN 71 3HB ASN 71 33.023 4.689 -5.628 538 HD21 ASN 71 1HD2 ASN 71 30.499 6.436 -4.164 539 HD22 ASN 71 2HD2 ASN 71 29.474 6.572 -5.548 540 H ALA 72 H ALA 72 33.186 1.175 -4.623 541 HA ALA 72 HA ALA 72 34.533 1.175 -2.123 542 HB1 ALA 72 1HB ALA 72 35.245 -0.424 -4.576 543 HB2 ALA 72 2HB ALA 72 35.645 -0.798 -2.899 544 HB3 ALA 72 3HB ALA 72 33.968 -0.863 -3.441 545 H ASP 73 H ASP 73 35.421 2.188 -5.373 546 HA ASP 73 HA ASP 73 38.176 2.502 -4.990 547 HB2 ASP 73 2HB ASP 73 38.199 3.584 -7.032 548 HB3 ASP 73 3HB ASP 73 36.682 2.696 -7.145 549 H LYS 74 H LYS 74 35.472 4.624 -4.249 550 HA LYS 74 HA LYS 74 37.284 6.712 -3.309 551 HB2 LYS 74 2HB LYS 74 34.295 6.596 -3.687 552 HB3 LYS 74 3HB LYS 74 35.091 7.941 -2.881 553 HG2 LYS 74 2HG LYS 74 35.816 7.057 -5.659 554 HG3 LYS 74 3HG LYS 74 34.557 8.249 -5.327 555 HD2 LYS 74 2HD LYS 74 37.347 8.538 -4.247 556 HD3 LYS 74 3HD LYS 74 36.902 9.123 -5.852 557 HE2 LYS 74 2HE LYS 74 35.494 9.913 -3.306 558 HE3 LYS 74 3HE LYS 74 36.786 10.851 -4.055 559 HZ1 LYS 74 3HZ LYS 74 35.353 10.897 -6.097 560 HZ2 LYS 74 1HZ LYS 74 34.763 11.781 -4.781 561 HZ3 LYS 74 2HZ LYS 74 34.096 10.272 -5.153 562 H LYS 75 H LYS 75 35.547 4.054 -2.115 563 HA LYS 75 HA LYS 75 35.252 3.209 -0.023 564 HB2 LYS 75 2HB LYS 75 37.677 4.368 0.091 565 HB3 LYS 75 3HB LYS 75 36.842 5.337 1.298 566 HG2 LYS 75 2HG LYS 75 36.122 3.097 2.315 567 HG3 LYS 75 3HG LYS 75 37.384 2.392 1.303 568 HD2 LYS 75 2HD LYS 75 38.324 2.825 3.460 569 HD3 LYS 75 3HD LYS 75 38.997 4.003 2.330 570 HE2 LYS 75 2HE LYS 75 37.675 5.740 3.184 571 HE3 LYS 75 3HE LYS 75 36.576 4.623 3.993 572 HZ1 LYS 75 3HZ LYS 75 39.364 5.279 4.760 573 HZ2 LYS 75 1HZ LYS 75 38.492 3.997 5.439 574 HZ3 LYS 75 2HZ LYS 75 37.953 5.587 5.640 575 H LEU 76 H LEU 76 33.346 5.018 -1.006 576 HA LEU 76 HA LEU 76 32.289 6.046 1.524 577 HB2 LEU 76 2HB LEU 76 31.362 7.967 -0.046 578 HB3 LEU 76 3HB LEU 76 32.912 8.093 0.784 579 HG LEU 76 HG LEU 76 33.975 7.255 -1.357 580 HD11 LEU 76 1HD1 LEU 76 32.634 7.650 -3.410 581 HD12 LEU 76 2HD1 LEU 76 31.205 7.832 -2.393 582 HD13 LEU 76 3HD1 LEU 76 32.064 6.293 -2.438 583 HD21 LEU 76 3HD2 LEU 76 33.062 9.656 -2.424 584 HD22 LEU 76 1HD2 LEU 76 34.476 9.421 -1.395 585 HD23 LEU 76 2HD2 LEU 76 32.926 9.859 -0.676 586 H MET 77 H MET 77 30.007 6.175 1.619 587 HA MET 77 HA MET 77 28.505 5.103 -0.642 588 HB2 MET 77 2HB MET 77 28.930 3.082 0.502 589 HB3 MET 77 3HB MET 77 28.680 3.824 2.077 590 HG2 MET 77 2HG MET 77 26.389 3.831 0.209 591 HG3 MET 77 3HG MET 77 26.866 2.281 0.896 592 HE1 MET 77 3HE MET 77 26.551 2.967 4.739 593 HE2 MET 77 1HE MET 77 26.966 1.787 3.496 594 HE3 MET 77 2HE MET 77 27.998 3.194 3.756 595 H SER 78 H SER 78 26.663 6.182 -0.920 596 HA SER 78 HA SER 78 25.544 7.647 1.380 597 HB2 SER 78 2HB SER 78 25.352 8.605 -1.474 598 HB3 SER 78 3HB SER 78 25.041 9.513 0.005 599 HG SER 78 HG SER 78 27.338 9.237 -1.335 600 H VAL 79 H VAL 79 23.381 7.520 1.709 601 HA VAL 79 HA VAL 79 21.836 5.897 -0.208 602 HB VAL 79 HB VAL 79 21.471 6.058 2.787 603 HG11 VAL 79 1HG1 VAL 79 20.110 3.866 1.597 604 HG12 VAL 79 2HG1 VAL 79 19.432 5.237 2.478 605 HG13 VAL 79 3HG1 VAL 79 19.657 5.334 0.731 606 HG21 VAL 79 3HG2 VAL 79 23.023 4.471 2.906 607 HG22 VAL 79 1HG2 VAL 79 21.970 3.424 1.954 608 HG23 VAL 79 2HG2 VAL 79 23.175 4.430 1.150 609 H SER 80 H SER 80 20.282 6.977 -1.207 610 HA SER 80 HA SER 80 19.074 9.293 0.160 611 HB2 SER 80 2HB SER 80 20.405 9.895 -1.847 612 HB3 SER 80 3HB SER 80 19.367 8.855 -2.823 613 HG SER 80 HG SER 80 18.897 11.253 -2.613 614 H PHE 81 H PHE 81 17.039 9.000 0.746 615 HA PHE 81 HA PHE 81 15.265 7.428 -0.979 616 HB2 PHE 81 2HB PHE 81 14.238 6.503 1.189 617 HB3 PHE 81 3HB PHE 81 15.767 5.812 0.655 618 HD1 PHE 81 HD2 PHE 81 14.385 8.427 2.910 619 HD2 PHE 81 HD1 PHE 81 17.545 5.687 2.124 620 HE1 PHE 81 HE2 PHE 81 15.381 8.954 5.097 621 HE2 PHE 81 HE1 PHE 81 18.546 6.209 4.310 622 HZ PHE 81 HZ PHE 81 17.464 7.845 5.799 623 H SER 82 H SER 82 13.140 8.097 -1.018 624 HA SER 82 HA SER 82 12.550 10.560 0.491 625 HB2 SER 82 2HB SER 82 12.044 9.815 -2.360 626 HB3 SER 82 3HB SER 82 10.895 10.879 -1.550 627 HG SER 82 HG SER 82 12.406 12.209 -2.412 628 H ASP 83 H ASP 83 10.348 10.906 1.109 629 HA ASP 83 HA ASP 83 8.636 10.053 2.427 630 HB2 ASP 83 2HB ASP 83 8.106 9.396 -0.448 631 HB3 ASP 83 3HB ASP 83 6.948 8.900 0.783 632 H ILE 84 H ILE 84 9.758 8.551 3.743 633 HA ILE 84 HA ILE 84 9.177 5.752 3.046 634 HB ILE 84 HB ILE 84 11.249 4.988 3.945 635 HG12 ILE 84 2HG1 ILE 84 12.253 7.758 4.453 636 HG13 ILE 84 3HG1 ILE 84 11.216 7.001 5.657 637 HG21 ILE 84 1HG2 ILE 84 11.865 7.374 2.210 638 HG22 ILE 84 2HG2 ILE 84 12.836 5.914 2.392 639 HG23 ILE 84 3HG2 ILE 84 11.255 5.831 1.614 640 HD11 ILE 84 3HD1 ILE 84 12.854 5.036 5.540 641 HD12 ILE 84 1HD1 ILE 84 13.935 6.170 4.730 642 HD13 ILE 84 2HD1 ILE 84 13.369 6.506 6.367 643 H ASP 85 H ASP 85 10.047 4.556 5.362 644 HA ASP 85 HA ASP 85 8.599 5.900 7.532 645 HB2 ASP 85 2HB ASP 85 8.213 2.976 6.877 646 HB3 ASP 85 3HB ASP 85 7.350 3.925 8.084 647 H GLU 86 H GLU 86 8.981 4.797 9.664 648 HA GLU 86 HA GLU 86 11.768 4.521 10.092 649 HB2 GLU 86 2HB GLU 86 11.182 4.075 12.415 650 HB3 GLU 86 3HB GLU 86 10.245 5.426 11.795 651 HG2 GLU 86 2HG GLU 86 8.430 3.661 11.320 652 HG3 GLU 86 3HG GLU 86 9.346 2.649 12.434 653 H ASN 87 H ASN 87 9.214 2.262 9.465 654 HA ASN 87 HA ASN 87 10.330 -0.079 10.513 655 HB2 ASN 87 2HB ASN 87 7.988 0.235 9.585 656 HB3 ASN 87 3HB ASN 87 8.693 0.068 7.979 657 HD21 ASN 87 1HD2 ASN 87 7.045 -1.724 8.061 658 HD22 ASN 87 2HD2 ASN 87 7.603 -3.266 8.604 659 H MET 88 H MET 88 10.578 1.273 7.227 660 HA MET 88 HA MET 88 12.500 -0.715 6.425 661 HB2 MET 88 2HB MET 88 12.646 0.711 4.346 662 HB3 MET 88 3HB MET 88 11.048 0.075 4.715 663 HG2 MET 88 2HG MET 88 11.145 2.539 5.998 664 HG3 MET 88 3HG MET 88 11.929 2.803 4.443 665 HE1 MET 88 3HE MET 88 9.057 1.262 2.094 666 HE2 MET 88 1HE MET 88 10.727 1.831 2.114 667 HE3 MET 88 2HE MET 88 10.298 0.329 2.932 668 H LYS 89 H LYS 89 12.556 2.585 7.584 669 HA LYS 89 HA LYS 89 15.086 3.409 6.858 670 HB2 LYS 89 2HB LYS 89 13.301 4.713 8.119 671 HB3 LYS 89 3HB LYS 89 13.892 3.931 9.579 672 HG2 LYS 89 2HG LYS 89 16.142 4.881 9.098 673 HG3 LYS 89 3HG LYS 89 15.420 5.778 7.760 674 HD2 LYS 89 2HD LYS 89 13.737 6.553 9.636 675 HD3 LYS 89 3HD LYS 89 15.084 6.140 10.699 676 HE2 LYS 89 2HE LYS 89 15.261 8.005 8.335 677 HE3 LYS 89 3HE LYS 89 15.064 8.521 10.009 678 HZ1 LYS 89 3HZ LYS 89 17.415 8.407 8.950 679 HZ2 LYS 89 1HZ LYS 89 17.305 6.757 9.306 680 HZ3 LYS 89 2HZ LYS 89 17.188 7.899 10.548 681 H LYS 90 H LYS 90 14.131 1.296 9.514 682 HA LYS 90 HA LYS 90 16.577 1.144 10.852 683 HB2 LYS 90 2HB LYS 90 15.733 -0.800 11.919 684 HB3 LYS 90 3HB LYS 90 14.343 0.236 11.620 685 HG2 LYS 90 2HG LYS 90 13.446 -1.690 10.876 686 HG3 LYS 90 3HG LYS 90 14.275 -1.236 9.385 687 HD2 LYS 90 2HD LYS 90 14.805 -3.514 9.797 688 HD3 LYS 90 3HD LYS 90 16.245 -2.578 10.206 689 HE2 LYS 90 2HE LYS 90 16.120 -3.956 12.030 690 HE3 LYS 90 3HE LYS 90 15.167 -2.590 12.605 691 HZ1 LYS 90 3HZ LYS 90 13.474 -4.348 11.224 692 HZ2 LYS 90 1HZ LYS 90 13.448 -3.935 12.865 693 HZ3 LYS 90 2HZ LYS 90 14.371 -5.251 12.339 694 H VAL 91 H VAL 91 15.373 -0.617 8.046 695 HA VAL 91 HA VAL 91 17.557 -2.445 7.908 696 HB VAL 91 HB VAL 91 16.517 -3.359 6.115 697 HG11 VAL 91 1HG1 VAL 91 14.185 -3.270 6.330 698 HG12 VAL 91 2HG1 VAL 91 14.794 -2.831 7.927 699 HG13 VAL 91 3HG1 VAL 91 14.208 -1.579 6.831 700 HG21 VAL 91 3HG2 VAL 91 15.310 -1.989 4.377 701 HG22 VAL 91 1HG2 VAL 91 15.899 -0.554 5.216 702 HG23 VAL 91 2HG2 VAL 91 17.043 -1.693 4.507 703 H ILE 92 H ILE 92 16.866 0.699 6.487 704 HA ILE 92 HA ILE 92 19.019 0.715 4.645 705 HB ILE 92 HB ILE 92 17.844 3.189 5.887 706 HG12 ILE 92 2HG1 ILE 92 16.631 1.317 3.865 707 HG13 ILE 92 3HG1 ILE 92 15.898 1.983 5.320 708 HG21 ILE 92 1HG2 ILE 92 18.744 2.682 3.061 709 HG22 ILE 92 2HG2 ILE 92 18.389 4.231 3.823 710 HG23 ILE 92 3HG2 ILE 92 19.807 3.308 4.321 711 HD11 ILE 92 3HD1 ILE 92 16.409 3.328 2.696 712 HD12 ILE 92 1HD1 ILE 92 14.888 3.132 3.566 713 HD13 ILE 92 2HD1 ILE 92 16.112 4.250 4.170 714 H LYS 93 H LYS 93 18.650 2.034 7.921 715 HA LYS 93 HA LYS 93 21.227 3.179 8.078 716 HB2 LYS 93 2HB LYS 93 19.121 2.425 10.062 717 HB3 LYS 93 3HB LYS 93 20.728 2.839 10.646 718 HG2 LYS 93 2HG LYS 93 20.447 4.960 9.193 719 HG3 LYS 93 3HG LYS 93 18.729 4.557 9.238 720 HD2 LYS 93 2HD LYS 93 18.861 5.896 11.086 721 HD3 LYS 93 3HD LYS 93 19.216 4.334 11.828 722 HE2 LYS 93 2HE LYS 93 21.660 4.856 11.444 723 HE3 LYS 93 3HE LYS 93 21.155 6.493 11.030 724 HZ1 LYS 93 3HZ LYS 93 21.352 5.231 13.610 725 HZ2 LYS 93 1HZ LYS 93 19.898 6.064 13.376 726 HZ3 LYS 93 2HZ LYS 93 21.374 6.873 13.204 727 H ALA 94 H ALA 94 19.950 0.038 9.116 728 HA ALA 94 HA ALA 94 22.311 -0.910 10.320 729 HB1 ALA 94 1HB ALA 94 21.286 -3.172 9.970 730 HB2 ALA 94 2HB ALA 94 20.256 -2.008 10.804 731 HB3 ALA 94 3HB ALA 94 19.977 -2.370 9.101 732 H THR 95 H THR 95 21.099 -1.127 7.006 733 HA THR 95 HA THR 95 23.141 -2.843 6.045 734 HB THR 95 HB THR 95 21.306 -0.933 4.593 735 HG1 THR 95 HG1 THR 95 20.007 -2.560 4.989 736 HG21 THR 95 3HG2 THR 95 22.661 -1.148 2.828 737 HG22 THR 95 1HG2 THR 95 22.179 -2.844 2.781 738 HG23 THR 95 2HG2 THR 95 23.644 -2.367 3.639 739 H ALA 96 H ALA 96 22.737 0.681 6.013 740 HA ALA 96 HA ALA 96 25.101 1.241 4.563 741 HB1 ALA 96 1HB ALA 96 24.653 3.472 4.944 742 HB2 ALA 96 2HB ALA 96 23.050 2.750 5.090 743 HB3 ALA 96 3HB ALA 96 23.963 3.171 6.539 744 H GLU 97 H GLU 97 24.389 1.266 8.050 745 HA GLU 97 HA GLU 97 26.971 2.024 8.882 746 HB2 GLU 97 2HB GLU 97 26.243 1.633 11.051 747 HB3 GLU 97 3HB GLU 97 24.736 1.950 10.204 748 HG2 GLU 97 2HG GLU 97 24.162 0.103 11.409 749 HG3 GLU 97 3HG GLU 97 24.705 -0.648 9.910 750 H LYS 98 H LYS 98 25.552 -1.075 8.096 751 HA LYS 98 HA LYS 98 27.428 -2.784 9.253 752 HB2 LYS 98 2HB LYS 98 25.318 -3.567 8.282 753 HB3 LYS 98 3HB LYS 98 25.890 -3.142 6.674 754 HG2 LYS 98 2HG LYS 98 26.412 -5.331 6.609 755 HG3 LYS 98 3HG LYS 98 27.875 -4.773 7.423 756 HD2 LYS 98 2HD LYS 98 25.455 -5.569 9.001 757 HD3 LYS 98 3HD LYS 98 26.582 -6.789 8.404 758 HE2 LYS 98 2HE LYS 98 28.381 -5.239 9.491 759 HE3 LYS 98 3HE LYS 98 27.013 -4.623 10.417 760 HZ1 LYS 98 3HZ LYS 98 27.239 -6.353 11.757 761 HZ2 LYS 98 1HZ LYS 98 28.469 -7.006 10.797 762 HZ3 LYS 98 2HZ LYS 98 26.854 -7.394 10.480 763 H PHE 99 H PHE 99 27.481 -1.075 6.167 764 HA PHE 99 HA PHE 99 29.795 -2.322 5.131 765 HB2 PHE 99 2HB PHE 99 28.242 0.144 4.506 766 HB3 PHE 99 3HB PHE 99 29.871 0.013 3.851 767 HD1 PHE 99 HD1 PHE 99 30.355 -2.408 2.784 768 HD2 PHE 99 HD2 PHE 99 26.534 -0.572 3.167 769 HE1 PHE 99 HE1 PHE 99 29.504 -3.804 0.946 770 HE2 PHE 99 HE2 PHE 99 25.677 -1.966 1.330 771 HZ PHE 99 HZ PHE 99 27.162 -3.585 0.217 772 H LYS 100 H LYS 100 29.297 0.399 7.274 773 HA LYS 100 HA LYS 100 31.862 1.534 7.145 774 HB2 LYS 100 2HB LYS 100 29.540 2.143 8.448 775 HB3 LYS 100 3HB LYS 100 30.552 1.601 9.781 776 HG2 LYS 100 2HG LYS 100 31.203 3.798 7.827 777 HG3 LYS 100 3HG LYS 100 30.716 3.997 9.512 778 HD2 LYS 100 2HD LYS 100 33.218 2.613 8.544 779 HD3 LYS 100 3HD LYS 100 33.137 4.230 9.249 780 HE2 LYS 100 2HE LYS 100 32.355 1.664 10.632 781 HE3 LYS 100 3HE LYS 100 33.861 2.546 10.882 782 HZ1 LYS 100 3HZ LYS 100 31.303 3.002 12.033 783 HZ2 LYS 100 1HZ LYS 100 31.862 4.395 11.253 784 HZ3 LYS 100 2HZ LYS 100 32.800 3.666 12.456 785 H ASN 101 H ASN 101 30.627 -1.247 8.849 786 HA ASN 101 HA ASN 101 32.702 -1.549 10.730 787 HB2 ASN 101 2HB ASN 101 30.892 -3.614 9.460 788 HB3 ASN 101 3HB ASN 101 31.948 -3.929 10.834 789 HD21 ASN 101 1HD2 ASN 101 30.164 -4.474 12.108 790 HD22 ASN 101 2HD2 ASN 101 29.104 -3.268 12.748 791 H LYS 102 H LYS 102 32.654 -1.955 7.357 792 HA LYS 102 HA LYS 102 34.941 -3.776 7.356 793 HB2 LYS 102 2HB LYS 102 32.768 -3.526 5.669 794 HB3 LYS 102 3HB LYS 102 34.059 -2.748 4.764 795 HG2 LYS 102 2HG LYS 102 34.442 -5.454 5.989 796 HG3 LYS 102 3HG LYS 102 33.660 -5.256 4.419 797 HD2 LYS 102 2HD LYS 102 35.818 -3.734 4.008 798 HD3 LYS 102 3HD LYS 102 36.488 -4.847 5.204 799 HE2 LYS 102 2HE LYS 102 36.035 -6.727 3.842 800 HE3 LYS 102 3HE LYS 102 35.006 -5.789 2.762 801 HZ1 LYS 102 3HZ LYS 102 37.954 -5.641 3.030 802 HZ2 LYS 102 1HZ LYS 102 37.048 -4.487 2.188 803 HZ3 LYS 102 2HZ LYS 102 37.059 -6.096 1.668 804 H GLY 103 H GLY 103 34.347 -0.490 7.455 805 HA2 GLY 103 2HA GLY 103 36.158 1.059 7.652 806 HA3 GLY 103 3HA GLY 103 37.090 0.057 6.549 807 H PHE 104 H PHE 104 33.997 1.836 6.550 808 HA PHE 104 HA PHE 104 34.836 3.221 4.126 809 HB2 PHE 104 2HB PHE 104 32.375 1.483 4.316 810 HB3 PHE 104 3HB PHE 104 32.569 2.731 3.089 811 HD1 PHE 104 HD2 PHE 104 33.932 -0.451 4.360 812 HD2 PHE 104 HD1 PHE 104 33.911 2.377 1.179 813 HE1 PHE 104 HE2 PHE 104 35.155 -2.045 2.940 814 HE2 PHE 104 HE1 PHE 104 35.133 0.787 -0.246 815 HZ PHE 104 HZ PHE 104 35.758 -1.426 0.634 816 H LYS 105 H LYS 105 32.928 4.778 3.464 817 HA LYS 105 HA LYS 105 32.154 6.177 5.928 818 HB2 LYS 105 2HB LYS 105 33.553 7.455 4.378 819 HB3 LYS 105 3HB LYS 105 32.382 7.199 3.091 820 HG2 LYS 105 2HG LYS 105 31.830 9.310 3.769 821 HG3 LYS 105 3HG LYS 105 30.736 8.349 4.765 822 HD2 LYS 105 2HD LYS 105 33.400 8.867 5.919 823 HD3 LYS 105 3HD LYS 105 32.356 10.279 5.736 824 HE2 LYS 105 2HE LYS 105 31.512 7.717 7.082 825 HE3 LYS 105 3HE LYS 105 32.166 9.111 7.941 826 HZ1 LYS 105 3HZ LYS 105 30.122 10.040 6.302 827 HZ2 LYS 105 1HZ LYS 105 30.134 9.949 7.991 828 HZ3 LYS 105 2HZ LYS 105 29.526 8.661 7.080 829 H VAL 106 H VAL 106 30.065 6.611 6.406 830 HA VAL 106 HA VAL 106 28.032 5.641 4.504 831 HB VAL 106 HB VAL 106 27.772 5.789 7.509 832 HG11 VAL 106 1HG1 VAL 106 25.605 5.857 6.773 833 HG12 VAL 106 2HG1 VAL 106 25.964 4.970 5.290 834 HG13 VAL 106 3HG1 VAL 106 25.861 4.114 6.829 835 HG21 VAL 106 3HG2 VAL 106 27.796 3.234 7.245 836 HG22 VAL 106 1HG2 VAL 106 28.559 3.542 5.685 837 HG23 VAL 106 2HG2 VAL 106 29.337 4.088 7.171 838 H GLU 107 H GLU 107 26.604 7.070 3.763 839 HA GLU 107 HA GLU 107 26.212 9.573 5.265 840 HB2 GLU 107 2HB GLU 107 26.129 9.464 2.262 841 HB3 GLU 107 3HB GLU 107 26.292 10.870 3.305 842 HG2 GLU 107 2HG GLU 107 28.517 9.523 3.985 843 HG3 GLU 107 3HG GLU 107 28.333 9.000 2.311 844 H THR 108 H THR 108 24.151 10.429 5.285 845 HA THR 108 HA THR 108 22.049 8.726 4.110 846 HB THR 108 HB THR 108 20.615 9.203 5.985 847 HG1 THR 108 HG1 THR 108 21.665 10.418 7.798 848 HG21 THR 108 3HG2 THR 108 23.306 8.525 7.156 849 HG22 THR 108 1HG2 THR 108 22.377 7.393 6.175 850 HG23 THR 108 2HG2 THR 108 21.717 7.987 7.699 851 H ASP 109 H ASP 109 20.519 9.691 2.904 852 HA ASP 109 HA ASP 109 20.412 12.634 2.901 853 HB2 ASP 109 2HB ASP 109 21.562 11.355 0.884 854 HB3 ASP 109 3HB ASP 109 19.891 11.133 0.373 855 H MET 110 H MET 110 18.442 13.467 3.160 856 HA MET 110 HA MET 110 16.081 12.113 2.214 857 HB2 MET 110 2HB MET 110 14.987 12.052 4.444 858 HB3 MET 110 3HB MET 110 16.342 10.940 4.305 859 HG2 MET 110 2HG MET 110 17.763 12.548 5.494 860 HG3 MET 110 3HG MET 110 16.378 13.625 5.664 861 HE1 MET 110 3HE MET 110 17.656 13.340 8.108 862 HE2 MET 110 1HE MET 110 17.215 12.059 9.239 863 HE3 MET 110 2HE MET 110 18.421 11.754 7.989 Start of MODEL 2 1 H1 MET 1 H MET 1 1.990 -0.262 1.134 2 HA MET 1 HA MET 1 1.428 -0.643 -1.693 3 HB2 MET 1 2HB MET 1 3.106 1.418 -2.000 4 HB3 MET 1 3HB MET 1 1.359 1.615 -1.965 5 HG2 MET 1 2HG MET 1 2.442 3.279 -0.583 6 HG3 MET 1 3HG MET 1 1.463 2.192 0.399 7 HE1 MET 1 3HE MET 1 5.128 0.991 -0.920 8 HE2 MET 1 1HE MET 1 4.908 2.730 -1.113 9 HE3 MET 1 2HE MET 1 6.043 2.114 0.087 10 H THR 2 H THR 2 3.572 -0.633 -2.954 11 HA THR 2 HA THR 2 5.533 -2.133 -1.360 12 HB THR 2 HB THR 2 5.685 -2.140 -4.329 13 HG1 THR 2 HG1 THR 2 4.054 -3.903 -4.228 14 HG21 THR 2 3HG2 THR 2 7.244 -3.403 -2.846 15 HG22 THR 2 1HG2 THR 2 6.370 -4.422 -3.989 16 HG23 THR 2 2HG2 THR 2 5.872 -4.366 -2.298 17 H LEU 3 H LEU 3 7.561 -1.412 -1.107 18 HA LEU 3 HA LEU 3 8.362 0.979 -2.633 19 HB2 LEU 3 2HB LEU 3 8.128 0.641 0.121 20 HB3 LEU 3 3HB LEU 3 9.860 0.551 -0.196 21 HG LEU 3 HG LEU 3 9.988 2.748 -0.870 22 HD11 LEU 3 1HD1 LEU 3 7.670 3.969 -1.324 23 HD12 LEU 3 2HD1 LEU 3 7.196 2.329 -1.764 24 HD13 LEU 3 3HD1 LEU 3 8.549 3.106 -2.586 25 HD21 LEU 3 3HD2 LEU 3 7.837 3.704 0.696 26 HD22 LEU 3 1HD2 LEU 3 9.537 3.559 1.143 27 HD23 LEU 3 2HD2 LEU 3 8.427 2.224 1.455 28 H CYS 4 H CYS 4 10.174 0.878 -3.805 29 HA CYS 4 HA CYS 4 11.965 -1.424 -3.381 30 HB2 CYS 4 2HB CYS 4 11.429 -0.076 -6.031 31 HB3 CYS 4 3HB CYS 4 12.337 -1.557 -5.752 32 HG CYS 4 HG CYS 4 9.965 -2.308 -6.946 33 H ALA 5 H ALA 5 14.205 -1.092 -3.952 34 HA ALA 5 HA ALA 5 15.061 1.706 -4.114 35 HB1 ALA 5 1HB ALA 5 15.157 0.221 -1.741 36 HB2 ALA 5 2HB ALA 5 16.814 0.276 -2.346 37 HB3 ALA 5 3HB ALA 5 15.925 1.774 -2.071 38 H MET 6 H MET 6 16.962 2.041 -5.210 39 HA MET 6 HA MET 6 18.172 -0.353 -6.429 40 HB2 MET 6 2HB MET 6 17.508 2.343 -7.511 41 HB3 MET 6 3HB MET 6 18.937 1.535 -8.140 42 HG2 MET 6 2HG MET 6 17.741 -0.065 -9.206 43 HG3 MET 6 3HG MET 6 16.444 -0.047 -8.013 44 HE1 MET 6 3HE MET 6 16.788 1.440 -11.978 45 HE2 MET 6 1HE MET 6 17.464 2.869 -11.194 46 HE3 MET 6 2HE MET 6 18.157 1.278 -10.877 47 H TYR 7 H TYR 7 20.189 -0.783 -5.847 48 HA TYR 7 HA TYR 7 21.881 1.434 -4.895 49 HB2 TYR 7 2HB TYR 7 22.776 0.098 -3.200 50 HB3 TYR 7 3HB TYR 7 21.071 -0.338 -3.189 51 HD1 TYR 7 HD1 TYR 7 20.337 -2.515 -4.045 52 HD2 TYR 7 HD2 TYR 7 24.462 -1.483 -3.884 53 HE1 TYR 7 HE1 TYR 7 20.935 -4.882 -4.343 54 HE2 TYR 7 HE2 TYR 7 25.071 -3.847 -4.183 55 HH TYR 7 HH TYR 7 23.174 -6.316 -3.644 56 H ASN 8 H ASN 8 23.977 1.529 -5.601 57 HA ASN 8 HA ASN 8 24.762 -0.468 -7.622 58 HB2 ASN 8 2HB ASN 8 25.855 2.310 -7.718 59 HB3 ASN 8 3HB ASN 8 25.556 1.177 -9.033 60 HD21 ASN 8 1HD2 ASN 8 24.778 4.024 -8.546 61 HD22 ASN 8 2HD2 ASN 8 23.069 4.058 -8.796 62 H ILE 9 H ILE 9 26.773 -1.329 -7.502 63 HA ILE 9 HA ILE 9 28.479 -0.406 -5.282 64 HB ILE 9 HB ILE 9 29.422 -2.800 -5.431 65 HG12 ILE 9 2HG1 ILE 9 27.967 -3.115 -7.604 66 HG13 ILE 9 3HG1 ILE 9 28.213 -4.458 -6.492 67 HG21 ILE 9 1HG2 ILE 9 27.341 -3.634 -4.093 68 HG22 ILE 9 2HG2 ILE 9 28.335 -2.323 -3.461 69 HG23 ILE 9 3HG2 ILE 9 26.808 -1.962 -4.265 70 HD11 ILE 9 3HD1 ILE 9 25.829 -3.815 -7.429 71 HD12 ILE 9 1HD1 ILE 9 26.053 -4.458 -5.803 72 HD13 ILE 9 2HD1 ILE 9 25.857 -2.722 -6.046 73 H SER 10 H SER 10 30.489 0.232 -5.741 74 HA SER 10 HA SER 10 31.494 -0.250 -8.468 75 HB2 SER 10 2HB SER 10 31.010 2.162 -7.465 76 HB3 SER 10 3HB SER 10 32.614 1.935 -6.769 77 HG SER 10 HG SER 10 33.368 1.519 -8.909 78 H MET 11 H MET 11 33.227 -1.496 -8.672 79 HA MET 11 HA MET 11 34.709 -2.273 -6.287 80 HB2 MET 11 2HB MET 11 35.654 -4.034 -7.661 81 HB3 MET 11 3HB MET 11 33.906 -4.009 -7.852 82 HG2 MET 11 2HG MET 11 35.400 -2.403 -9.803 83 HG3 MET 11 3HG MET 11 35.669 -4.142 -9.889 84 HE1 MET 11 3HE MET 11 33.065 -1.968 -12.174 85 HE2 MET 11 1HE MET 11 34.783 -2.279 -11.922 86 HE3 MET 11 2HE MET 11 33.795 -3.449 -12.797 87 H ALA 12 H ALA 12 34.927 0.153 -8.471 88 HA ALA 12 HA ALA 12 37.475 0.989 -7.705 89 HB1 ALA 12 1HB ALA 12 38.944 0.124 -9.146 90 HB2 ALA 12 2HB ALA 12 37.703 -1.077 -9.503 91 HB3 ALA 12 3HB ALA 12 37.864 0.355 -10.520 92 H GLY 13 H GLY 13 38.337 2.402 -9.929 93 HA2 GLY 13 2HA GLY 13 36.292 4.452 -10.049 94 HA3 GLY 13 3HA GLY 13 37.933 4.574 -10.667 95 H SER 14 H SER 14 35.438 2.160 -11.391 96 HA SER 14 HA SER 14 35.328 3.179 -14.145 97 HB2 SER 14 2HB SER 14 35.643 0.270 -13.362 98 HB3 SER 14 3HB SER 14 35.395 0.865 -15.003 99 HG SER 14 HG SER 14 37.662 0.448 -14.078 100 H HIS 15 H HIS 15 33.434 2.447 -15.348 101 HA HIS 15 HA HIS 15 31.041 2.990 -14.313 102 HB2 HIS 15 2HB HIS 15 31.805 0.978 -16.398 103 HB3 HIS 15 3HB HIS 15 30.117 1.138 -15.920 104 HD1 HIS 15 HD1 HIS 15 29.118 3.651 -16.209 105 HD2 HIS 15 HD2 HIS 15 32.615 2.771 -18.272 106 HE1 HIS 15 HE1 HIS 15 29.314 5.420 -17.986 107 HA PRO 16 HA PRO 16 30.738 -0.100 -11.048 108 HB2 PRO 16 2HB PRO 16 28.678 1.127 -9.775 109 HB3 PRO 16 3HB PRO 16 30.360 1.639 -9.594 110 HG2 PRO 16 2HG PRO 16 28.206 2.790 -11.325 111 HG3 PRO 16 3HG PRO 16 29.407 3.629 -10.327 112 HD2 PRO 16 2HD PRO 16 29.682 3.342 -13.006 113 HD3 PRO 16 3HD PRO 16 31.072 3.382 -11.902 114 H THR 17 H THR 17 28.596 -1.080 -10.029 115 HA THR 17 HA THR 17 26.852 -1.822 -12.287 116 HB THR 17 HB THR 17 27.638 -3.500 -9.896 117 HG1 THR 17 HG1 THR 17 28.644 -4.774 -11.580 118 HG21 THR 17 3HG2 THR 17 25.885 -4.171 -12.262 119 HG22 THR 17 1HG2 THR 17 25.343 -3.960 -10.598 120 HG23 THR 17 2HG2 THR 17 26.406 -5.305 -11.016 121 H THR 18 H THR 18 24.732 -1.469 -12.088 122 HA THR 18 HA THR 18 23.725 -0.580 -9.473 123 HB THR 18 HB THR 18 22.725 -0.031 -12.268 124 HG1 THR 18 HG1 THR 18 24.228 1.463 -11.828 125 HG21 THR 18 3HG2 THR 18 21.151 1.532 -10.822 126 HG22 THR 18 1HG2 THR 18 21.383 0.257 -9.627 127 HG23 THR 18 2HG2 THR 18 20.698 -0.128 -11.206 128 H ILE 19 H ILE 19 21.897 -1.466 -8.573 129 HA ILE 19 HA ILE 19 20.569 -3.649 -10.008 130 HB ILE 19 HB ILE 19 22.297 -3.965 -7.700 131 HG12 ILE 19 2HG1 ILE 19 20.859 -5.818 -9.601 132 HG13 ILE 19 3HG1 ILE 19 22.558 -5.359 -9.624 133 HG21 ILE 19 1HG2 ILE 19 20.242 -3.804 -6.425 134 HG22 ILE 19 2HG2 ILE 19 19.475 -5.000 -7.469 135 HG23 ILE 19 3HG2 ILE 19 20.821 -5.470 -6.431 136 HD11 ILE 19 3HD1 ILE 19 21.190 -7.075 -7.567 137 HD12 ILE 19 1HD1 ILE 19 22.325 -7.607 -8.807 138 HD13 ILE 19 2HD1 ILE 19 22.876 -6.560 -7.499 139 H CYS 20 H CYS 20 18.434 -3.999 -9.435 140 HA CYS 20 HA CYS 20 17.285 -2.021 -7.577 141 HB2 CYS 20 2HB CYS 20 15.235 -2.108 -8.965 142 HB3 CYS 20 3HB CYS 20 16.632 -1.525 -9.862 143 HG CYS 20 HG CYS 20 16.377 -3.181 -11.796 144 H VAL 21 H VAL 21 16.481 -2.891 -5.796 145 HA VAL 21 HA VAL 21 15.045 -5.436 -5.959 146 HB VAL 21 HB VAL 21 16.141 -6.175 -3.818 147 HG11 VAL 21 1HG1 VAL 21 17.527 -6.013 -6.449 148 HG12 VAL 21 2HG1 VAL 21 18.387 -6.704 -5.072 149 HG13 VAL 21 3HG1 VAL 21 16.864 -7.413 -5.609 150 HG21 VAL 21 3HG2 VAL 21 18.176 -4.066 -4.533 151 HG22 VAL 21 1HG2 VAL 21 17.038 -3.964 -3.189 152 HG23 VAL 21 2HG2 VAL 21 18.277 -5.219 -3.202 153 H VAL 22 H VAL 22 13.409 -5.684 -4.456 154 HA VAL 22 HA VAL 22 12.289 -3.298 -3.399 155 HB VAL 22 HB VAL 22 10.579 -4.768 -2.396 156 HG11 VAL 22 1HG1 VAL 22 10.550 -6.073 -4.926 157 HG12 VAL 22 2HG1 VAL 22 9.607 -4.681 -4.389 158 HG13 VAL 22 3HG1 VAL 22 11.184 -4.442 -5.142 159 HG21 VAL 22 3HG2 VAL 22 11.011 -7.269 -3.390 160 HG22 VAL 22 1HG2 VAL 22 12.638 -6.788 -2.910 161 HG23 VAL 22 2HG2 VAL 22 11.330 -6.776 -1.727 162 H MET 23 H MET 23 11.780 -2.854 -1.172 163 HA MET 23 HA MET 23 13.954 -2.913 0.544 164 HB2 MET 23 2HB MET 23 12.151 -1.327 0.844 165 HB3 MET 23 3HB MET 23 11.015 -2.624 1.189 166 HG2 MET 23 2HG MET 23 13.194 -2.842 2.997 167 HG3 MET 23 3HG MET 23 12.638 -1.170 2.988 168 HE1 MET 23 3HE MET 23 12.164 -4.059 5.321 169 HE2 MET 23 1HE MET 23 10.680 -4.822 4.749 170 HE3 MET 23 2HE MET 23 12.093 -4.745 3.697 171 H ASP 24 H ASP 24 11.197 -5.116 0.348 172 HA ASP 24 HA ASP 24 11.718 -6.626 2.645 173 HB2 ASP 24 2HB ASP 24 9.609 -6.851 1.501 174 HB3 ASP 24 3HB ASP 24 10.410 -7.409 0.035 175 H ARG 25 H ARG 25 12.983 -6.884 -0.635 176 HA ARG 25 HA ARG 25 14.607 -9.191 0.135 177 HB2 ARG 25 2HB ARG 25 14.288 -7.866 -2.564 178 HB3 ARG 25 3HB ARG 25 15.150 -9.365 -2.245 179 HG2 ARG 25 2HG ARG 25 12.329 -9.264 -1.381 180 HG3 ARG 25 3HG ARG 25 12.628 -9.275 -3.121 181 HD2 ARG 25 2HD ARG 25 14.085 -11.223 -1.403 182 HD3 ARG 25 3HD ARG 25 12.382 -11.516 -1.756 183 HE ARG 25 HE ARG 25 13.528 -10.992 -4.187 184 HH11 ARG 25 1HH1 ARG 25 14.067 -13.288 -1.626 185 HH12 ARG 25 2HH1 ARG 25 14.660 -14.526 -2.683 186 HH21 ARG 25 1HH2 ARG 25 14.307 -12.614 -5.589 187 HH22 ARG 25 2HH2 ARG 25 14.797 -14.141 -4.938 188 H PHE 26 H PHE 26 14.821 -5.840 -0.017 189 HA PHE 26 HA PHE 26 17.472 -5.457 -0.882 190 HB2 PHE 26 2HB PHE 26 15.812 -3.633 -0.660 191 HB3 PHE 26 3HB PHE 26 15.893 -3.794 1.091 192 HD1 PHE 26 HD1 PHE 26 18.615 -3.827 -1.443 193 HD2 PHE 26 HD2 PHE 26 16.827 -1.824 1.860 194 HE1 PHE 26 HE1 PHE 26 20.496 -2.242 -1.390 195 HE2 PHE 26 HE2 PHE 26 18.705 -0.235 1.917 196 HZ PHE 26 HZ PHE 26 20.544 -0.444 0.292 197 H LEU 27 H LEU 27 16.101 -5.981 2.344 198 HA LEU 27 HA LEU 27 18.425 -5.654 3.845 199 HB2 LEU 27 2HB LEU 27 17.306 -7.167 5.497 200 HB3 LEU 27 3HB LEU 27 16.351 -5.782 4.972 201 HG LEU 27 HG LEU 27 15.510 -7.722 3.245 202 HD11 LEU 27 1HD1 LEU 27 15.677 -9.786 4.061 203 HD12 LEU 27 2HD1 LEU 27 15.238 -9.267 5.687 204 HD13 LEU 27 3HD1 LEU 27 16.911 -9.147 5.146 205 HD21 LEU 27 3HD2 LEU 27 13.483 -7.431 4.252 206 HD22 LEU 27 1HD2 LEU 27 14.345 -6.048 4.925 207 HD23 LEU 27 2HD2 LEU 27 14.153 -7.517 5.882 208 H GLU 28 H GLU 28 17.066 -8.626 2.435 209 HA GLU 28 HA GLU 28 19.204 -10.289 3.292 210 HB2 GLU 28 2HB GLU 28 16.812 -10.946 2.553 211 HB3 GLU 28 3HB GLU 28 17.459 -10.889 0.920 212 HG2 GLU 28 2HG GLU 28 17.452 -13.153 1.861 213 HG3 GLU 28 3HG GLU 28 19.071 -12.595 1.445 214 H SER 29 H SER 29 18.435 -8.726 0.199 215 HA SER 29 HA SER 29 20.507 -9.742 -1.336 216 HB2 SER 29 2HB SER 29 20.131 -7.931 -2.839 217 HB3 SER 29 3HB SER 29 18.568 -8.287 -2.103 218 HG SER 29 HG SER 29 20.006 -6.006 -2.032 219 H PHE 30 H PHE 30 20.480 -6.853 0.726 220 HA PHE 30 HA PHE 30 23.106 -6.019 0.159 221 HB2 PHE 30 2HB PHE 30 22.325 -4.286 1.338 222 HB3 PHE 30 3HB PHE 30 20.983 -5.252 1.942 223 HD1 PHE 30 HD2 PHE 30 24.577 -4.531 2.544 224 HD2 PHE 30 HD1 PHE 30 20.866 -5.811 4.188 225 HE1 PHE 30 HE2 PHE 30 25.563 -4.480 4.798 226 HE2 PHE 30 HE1 PHE 30 21.845 -5.761 6.445 227 HZ PHE 30 HZ PHE 30 24.196 -5.095 6.752 228 H SER 31 H SER 31 21.798 -8.097 2.713 229 HA SER 31 HA SER 31 24.095 -8.462 4.222 230 HB2 SER 31 2HB SER 31 21.670 -9.316 4.612 231 HB3 SER 31 3HB SER 31 22.198 -10.739 3.713 232 HG SER 31 HG SER 31 22.823 -9.935 6.264 233 H GLU 32 H GLU 32 22.979 -10.294 1.393 234 HA GLU 32 HA GLU 32 25.249 -12.035 1.379 235 HB2 GLU 32 2HB GLU 32 22.907 -12.457 0.386 236 HB3 GLU 32 3HB GLU 32 23.467 -11.513 -0.987 237 HG2 GLU 32 2HG GLU 32 23.883 -13.690 -1.637 238 HG3 GLU 32 3HG GLU 32 25.449 -13.146 -1.038 239 H LEU 33 H LEU 33 24.299 -9.149 -0.436 240 HA LEU 33 HA LEU 33 26.373 -9.095 -2.290 241 HB2 LEU 33 2HB LEU 33 24.469 -7.625 -2.462 242 HB3 LEU 33 3HB LEU 33 24.913 -6.819 -0.959 243 HG LEU 33 HG LEU 33 25.393 -5.657 -3.223 244 HD11 LEU 33 1HD1 LEU 33 27.042 -4.394 -2.208 245 HD12 LEU 33 2HD1 LEU 33 27.763 -5.788 -1.405 246 HD13 LEU 33 3HD1 LEU 33 26.231 -5.134 -0.828 247 HD21 LEU 33 3HD2 LEU 33 28.024 -6.995 -3.155 248 HD22 LEU 33 1HD2 LEU 33 27.105 -6.359 -4.519 249 HD23 LEU 33 2HD2 LEU 33 26.688 -7.929 -3.831 250 H TYR 34 H TYR 34 26.265 -7.920 1.035 251 HA TYR 34 HA TYR 34 28.773 -6.613 1.003 252 HB2 TYR 34 2HB TYR 34 27.213 -6.061 2.734 253 HB3 TYR 34 3HB TYR 34 27.113 -7.738 3.261 254 HD1 TYR 34 HD2 TYR 34 29.203 -4.711 3.249 255 HD2 TYR 34 HD1 TYR 34 28.786 -8.689 4.700 256 HE1 TYR 34 HE2 TYR 34 30.997 -4.298 4.880 257 HE2 TYR 34 HE1 TYR 34 30.579 -8.287 6.335 258 HH TYR 34 HH TYR 34 31.594 -6.282 7.497 259 H ASP 35 H ASP 35 27.795 -9.923 1.573 260 HA ASP 35 HA ASP 35 30.292 -10.796 2.644 261 HB2 ASP 35 2HB ASP 35 27.718 -11.914 2.221 262 HB3 ASP 35 3HB ASP 35 28.879 -12.952 1.399 263 H ILE 36 H ILE 36 28.953 -10.479 -0.563 264 HA ILE 36 HA ILE 36 31.189 -11.920 -1.759 265 HB ILE 36 HB ILE 36 29.033 -12.366 -2.737 266 HG12 ILE 36 2HG1 ILE 36 31.265 -11.706 -4.153 267 HG13 ILE 36 3HG1 ILE 36 29.805 -12.383 -4.865 268 HG21 ILE 36 1HG2 ILE 36 27.793 -10.530 -3.910 269 HG22 ILE 36 2HG2 ILE 36 27.800 -10.417 -2.151 270 HG23 ILE 36 3HG2 ILE 36 28.863 -9.383 -3.105 271 HD11 ILE 36 3HD1 ILE 36 30.793 -10.355 -5.997 272 HD12 ILE 36 1HD1 ILE 36 29.074 -10.282 -5.612 273 HD13 ILE 36 2HD1 ILE 36 30.241 -9.429 -4.602 274 H ILE 37 H ILE 37 30.242 -8.720 -1.003 275 HA ILE 37 HA ILE 37 31.536 -7.260 -3.014 276 HB ILE 37 HB ILE 37 29.964 -6.410 -1.164 277 HG12 ILE 37 2HG1 ILE 37 31.203 -4.152 -1.154 278 HG13 ILE 37 3HG1 ILE 37 32.426 -4.964 -2.125 279 HG21 ILE 37 1HG2 ILE 37 32.281 -5.538 0.397 280 HG22 ILE 37 2HG2 ILE 37 30.698 -6.100 0.931 281 HG23 ILE 37 3HG2 ILE 37 31.947 -7.266 0.496 282 HD11 ILE 37 3HD1 ILE 37 31.141 -4.057 -3.765 283 HD12 ILE 37 1HD1 ILE 37 30.339 -5.617 -3.586 284 HD13 ILE 37 2HD1 ILE 37 29.654 -4.181 -2.826 285 H ASP 38 H ASP 38 32.812 -9.160 -0.485 286 HA ASP 38 HA ASP 38 35.260 -7.819 -0.040 287 HB2 ASP 38 2HB ASP 38 34.300 -9.592 1.441 288 HB3 ASP 38 3HB ASP 38 34.721 -10.783 0.214 289 H GLU 39 H GLU 39 34.169 -10.050 -2.491 290 HA GLU 39 HA GLU 39 36.753 -10.712 -3.497 291 HB2 GLU 39 2HB GLU 39 33.997 -10.918 -4.713 292 HB3 GLU 39 3HB GLU 39 35.453 -11.503 -5.506 293 HG2 GLU 39 2HG GLU 39 34.595 -12.431 -2.783 294 HG3 GLU 39 3HG GLU 39 34.085 -13.219 -4.274 295 H ASN 40 H ASN 40 36.868 -10.309 -6.106 296 HA ASN 40 HA ASN 40 36.279 -7.542 -6.754 297 HB2 ASN 40 2HB ASN 40 38.504 -7.608 -5.507 298 HB3 ASN 40 3HB ASN 40 39.143 -8.480 -6.898 299 HD21 ASN 40 1HD2 ASN 40 40.412 -7.103 -7.924 300 HD22 ASN 40 2HD2 ASN 40 39.982 -5.499 -8.402 301 H ASP 41 H ASP 41 35.759 -10.373 -7.691 302 HA ASP 41 HA ASP 41 36.940 -10.317 -10.362 303 HB2 ASP 41 2HB ASP 41 35.541 -12.372 -8.711 304 HB3 ASP 41 3HB ASP 41 35.464 -12.523 -10.465 305 H THR 42 H THR 42 35.842 -9.844 -12.181 306 HA THR 42 HA THR 42 33.368 -8.463 -11.991 307 HB THR 42 HB THR 42 33.465 -8.244 -14.399 308 HG1 THR 42 HG1 THR 42 35.614 -10.117 -14.301 309 HG21 THR 42 3HG2 THR 42 36.344 -8.096 -13.602 310 HG22 THR 42 1HG2 THR 42 35.160 -7.066 -12.799 311 HG23 THR 42 2HG2 THR 42 35.383 -6.957 -14.545 312 H ASP 43 H ASP 43 34.272 -11.726 -12.926 313 HA ASP 43 HA ASP 43 31.793 -12.482 -14.053 314 HB2 ASP 43 2HB ASP 43 34.115 -13.662 -14.150 315 HB3 ASP 43 3HB ASP 43 33.596 -14.433 -12.654 316 H VAL 44 H VAL 44 33.118 -12.780 -10.779 317 HA VAL 44 HA VAL 44 30.891 -14.164 -9.697 318 HB VAL 44 HB VAL 44 32.981 -12.486 -8.303 319 HG11 VAL 44 1HG1 VAL 44 30.568 -13.668 -7.317 320 HG12 VAL 44 2HG1 VAL 44 31.962 -14.477 -6.597 321 HG13 VAL 44 3HG1 VAL 44 31.783 -12.728 -6.450 322 HG21 VAL 44 3HG2 VAL 44 32.796 -15.417 -8.950 323 HG22 VAL 44 1HG2 VAL 44 34.075 -14.279 -9.376 324 HG23 VAL 44 2HG2 VAL 44 33.868 -14.786 -7.700 325 H MET 45 H MET 45 31.779 -10.745 -9.864 326 HA MET 45 HA MET 45 29.603 -9.820 -8.283 327 HB2 MET 45 2HB MET 45 31.586 -8.532 -10.118 328 HB3 MET 45 3HB MET 45 30.193 -7.610 -9.569 329 HG2 MET 45 2HG MET 45 31.976 -9.028 -7.630 330 HG3 MET 45 3HG MET 45 32.381 -7.430 -8.252 331 HE1 MET 45 3HE MET 45 30.450 -5.844 -8.639 332 HE2 MET 45 1HE MET 45 28.918 -5.855 -7.766 333 HE3 MET 45 2HE MET 45 30.309 -5.007 -7.093 334 H MET 46 H MET 46 30.147 -10.084 -11.778 335 HA MET 46 HA MET 46 27.667 -8.934 -12.530 336 HB2 MET 46 2HB MET 46 28.203 -9.559 -14.736 337 HB3 MET 46 3HB MET 46 29.753 -9.235 -13.971 338 HG2 MET 46 2HG MET 46 30.099 -11.627 -13.646 339 HG3 MET 46 3HG MET 46 28.540 -11.956 -14.398 340 HE1 MET 46 3HE MET 46 28.665 -9.918 -17.207 341 HE2 MET 46 1HE MET 46 28.927 -11.459 -18.024 342 HE3 MET 46 2HE MET 46 27.875 -11.379 -16.611 343 H ASP 47 H ASP 47 28.726 -12.231 -11.895 344 HA ASP 47 HA ASP 47 26.335 -13.482 -12.804 345 HB2 ASP 47 2HB ASP 47 28.389 -14.758 -12.680 346 HB3 ASP 47 3HB ASP 47 28.514 -14.458 -10.949 347 H PHE 48 H PHE 48 27.503 -12.402 -9.648 348 HA PHE 48 HA PHE 48 25.310 -13.438 -8.169 349 HB2 PHE 48 2HB PHE 48 27.273 -13.006 -6.929 350 HB3 PHE 48 3HB PHE 48 27.423 -11.376 -7.576 351 HD1 PHE 48 HD1 PHE 48 25.656 -13.509 -5.176 352 HD2 PHE 48 HD2 PHE 48 26.187 -9.548 -6.641 353 HE1 PHE 48 HE1 PHE 48 24.468 -12.626 -3.210 354 HE2 PHE 48 HE2 PHE 48 25.001 -8.659 -4.678 355 HZ PHE 48 HZ PHE 48 24.138 -10.198 -2.960 356 H ILE 49 H ILE 49 26.066 -10.219 -9.457 357 HA ILE 49 HA ILE 49 23.751 -8.942 -8.463 358 HB ILE 49 HB ILE 49 25.852 -8.279 -10.435 359 HG12 ILE 49 2HG1 ILE 49 25.220 -6.006 -9.074 360 HG13 ILE 49 3HG1 ILE 49 24.694 -7.235 -7.929 361 HG21 ILE 49 1HG2 ILE 49 24.061 -7.759 -11.864 362 HG22 ILE 49 2HG2 ILE 49 23.091 -7.104 -10.546 363 HG23 ILE 49 3HG2 ILE 49 24.510 -6.227 -11.116 364 HD11 ILE 49 3HD1 ILE 49 26.944 -6.609 -7.427 365 HD12 ILE 49 1HD1 ILE 49 26.946 -8.252 -8.069 366 HD13 ILE 49 2HD1 ILE 49 27.446 -6.904 -9.092 367 H SER 50 H SER 50 24.499 -10.328 -11.652 368 HA SER 50 HA SER 50 22.044 -9.723 -12.867 369 HB2 SER 50 2HB SER 50 24.156 -10.489 -14.027 370 HB3 SER 50 3HB SER 50 23.769 -12.125 -13.497 371 HG SER 50 HG SER 50 22.174 -12.222 -14.903 372 H ARG 51 H ARG 51 23.079 -12.470 -10.922 373 HA ARG 51 HA ARG 51 20.696 -13.992 -11.356 374 HB2 ARG 51 2HB ARG 51 22.842 -15.045 -10.749 375 HB3 ARG 51 3HB ARG 51 22.784 -14.245 -9.184 376 HG2 ARG 51 2HG ARG 51 22.074 -16.479 -8.858 377 HG3 ARG 51 3HG ARG 51 20.638 -15.459 -8.745 378 HD2 ARG 51 2HD ARG 51 19.757 -16.247 -10.698 379 HD3 ARG 51 3HD ARG 51 21.338 -16.577 -11.404 380 HE ARG 51 HE ARG 51 19.719 -18.381 -9.885 381 HH11 ARG 51 1HH1 ARG 51 22.989 -17.561 -10.753 382 HH12 ARG 51 2HH1 ARG 51 23.598 -19.162 -10.494 383 HH21 ARG 51 1HH2 ARG 51 20.508 -20.493 -9.541 384 HH22 ARG 51 2HH2 ARG 51 22.186 -20.830 -9.806 385 H PHE 52 H PHE 52 21.725 -11.571 -9.072 386 HA PHE 52 HA PHE 52 19.532 -12.067 -7.253 387 HB2 PHE 52 2HB PHE 52 21.931 -10.356 -7.301 388 HB3 PHE 52 3HB PHE 52 20.532 -9.641 -6.505 389 HD1 PHE 52 HD1 PHE 52 21.401 -13.233 -6.586 390 HD2 PHE 52 HD2 PHE 52 21.260 -9.663 -4.274 391 HE1 PHE 52 HE1 PHE 52 21.896 -14.533 -4.557 392 HE2 PHE 52 HE2 PHE 52 21.756 -10.956 -2.240 393 HZ PHE 52 HZ PHE 52 22.073 -13.395 -2.380 394 H ALA 53 H ALA 53 20.270 -9.950 -9.920 395 HA ALA 53 HA ALA 53 17.820 -8.408 -9.453 396 HB1 ALA 53 1HB ALA 53 19.121 -6.718 -10.078 397 HB2 ALA 53 2HB ALA 53 20.391 -7.813 -10.626 398 HB3 ALA 53 3HB ALA 53 19.071 -7.380 -11.712 399 H ARG 54 H ARG 54 16.506 -7.883 -11.415 400 HA ARG 54 HA ARG 54 16.548 -9.927 -13.494 401 HB2 ARG 54 2HB ARG 54 14.365 -9.568 -11.474 402 HB3 ARG 54 3HB ARG 54 13.958 -10.079 -13.107 403 HG2 ARG 54 2HG ARG 54 15.954 -11.500 -11.362 404 HG3 ARG 54 3HG ARG 54 14.246 -11.932 -11.463 405 HD2 ARG 54 2HD ARG 54 14.987 -13.332 -13.073 406 HD3 ARG 54 3HD ARG 54 14.861 -11.888 -14.077 407 HE ARG 54 HE ARG 54 17.414 -12.050 -12.853 408 HH11 ARG 54 1HH1 ARG 54 15.492 -13.415 -15.415 409 HH12 ARG 54 2HH1 ARG 54 16.858 -13.838 -16.391 410 HH21 ARG 54 1HH2 ARG 54 19.221 -12.602 -14.130 411 HH22 ARG 54 2HH2 ARG 54 18.980 -13.376 -15.659 412 H THR 55 H THR 55 16.830 -6.909 -13.071 413 HA THR 55 HA THR 55 16.218 -4.958 -14.089 414 HB THR 55 HB THR 55 15.875 -5.079 -16.498 415 HG1 THR 55 HG1 THR 55 14.992 -6.790 -17.370 416 HG21 THR 55 3HG2 THR 55 18.149 -5.419 -15.609 417 HG22 THR 55 1HG2 THR 55 17.892 -6.287 -17.122 418 HG23 THR 55 2HG2 THR 55 17.867 -7.160 -15.589 419 H ASP 56 H ASP 56 14.439 -4.358 -12.853 420 HA ASP 56 HA ASP 56 11.882 -4.564 -14.247 421 HB2 ASP 56 2HB ASP 56 10.704 -5.081 -12.110 422 HB3 ASP 56 3HB ASP 56 11.747 -6.386 -12.667 423 H GLU 57 H GLU 57 10.370 -2.923 -13.668 424 HA GLU 57 HA GLU 57 11.663 -0.577 -12.455 425 HB2 GLU 57 2HB GLU 57 9.241 -0.606 -14.258 426 HB3 GLU 57 3HB GLU 57 10.176 0.795 -13.756 427 HG2 GLU 57 2HG GLU 57 12.138 -0.232 -14.958 428 HG3 GLU 57 3HG GLU 57 11.001 -1.397 -15.634 429 H ILE 58 H ILE 58 9.453 0.984 -11.972 430 HA ILE 58 HA ILE 58 8.146 -0.501 -9.792 431 HB ILE 58 HB ILE 58 7.644 2.041 -9.116 432 HG12 ILE 58 2HG1 ILE 58 9.740 3.358 -9.520 433 HG13 ILE 58 3HG1 ILE 58 10.249 2.110 -10.653 434 HG21 ILE 58 1HG2 ILE 58 8.858 0.142 -7.894 435 HG22 ILE 58 2HG2 ILE 58 10.340 0.883 -8.498 436 HG23 ILE 58 3HG2 ILE 58 9.260 1.800 -7.447 437 HD11 ILE 58 3HD1 ILE 58 7.601 3.407 -11.037 438 HD12 ILE 58 1HD1 ILE 58 9.065 4.283 -11.485 439 HD13 ILE 58 2HD1 ILE 58 8.708 2.722 -12.226 440 H MET 59 H MET 59 5.993 -0.713 -9.766 441 HA MET 59 HA MET 59 4.469 0.194 -12.026 442 HB2 MET 59 2HB MET 59 3.076 -0.959 -9.678 443 HB3 MET 59 3HB MET 59 2.893 -1.326 -11.388 444 HG2 MET 59 2HG MET 59 5.160 -2.463 -11.222 445 HG3 MET 59 3HG MET 59 4.965 -2.340 -9.475 446 HE1 MET 59 3HE MET 59 5.175 -5.239 -9.478 447 HE2 MET 59 1HE MET 59 4.288 -6.112 -10.728 448 HE3 MET 59 2HE MET 59 5.476 -4.889 -11.181 449 HA PRO 60 HA PRO 60 2.597 3.827 -10.434 450 HB2 PRO 60 2HB PRO 60 0.012 3.583 -11.228 451 HB3 PRO 60 3HB PRO 60 1.335 3.919 -12.352 452 HG2 PRO 60 2HG PRO 60 -0.018 1.319 -11.743 453 HG3 PRO 60 3HG PRO 60 0.469 1.987 -13.312 454 HD2 PRO 60 2HD PRO 60 1.922 0.106 -12.014 455 HD3 PRO 60 3HD PRO 60 2.667 1.346 -13.044 456 H GLU 61 H GLU 61 1.531 0.763 -9.347 457 HA GLU 61 HA GLU 61 -0.321 1.821 -7.381 458 HB2 GLU 61 2HB GLU 61 -0.879 -0.399 -6.886 459 HB3 GLU 61 3HB GLU 61 -0.554 -0.420 -8.614 460 HG2 GLU 61 2HG GLU 61 1.848 -1.092 -7.880 461 HG3 GLU 61 3HG GLU 61 1.056 -1.545 -6.372 462 H ASP 62 H ASP 62 3.010 1.084 -7.618 463 HA ASP 62 HA ASP 62 3.287 1.375 -4.698 464 HB2 ASP 62 2HB ASP 62 5.583 0.109 -5.916 465 HB3 ASP 62 3HB ASP 62 4.570 -0.456 -4.590 466 H LYS 63 H LYS 63 6.033 1.664 -4.587 467 HA LYS 63 HA LYS 63 6.811 3.799 -6.388 468 HB2 LYS 63 2HB LYS 63 7.422 4.995 -3.994 469 HB3 LYS 63 3HB LYS 63 6.063 5.421 -5.025 470 HG2 LYS 63 2HG LYS 63 4.542 4.243 -3.715 471 HG3 LYS 63 3HG LYS 63 5.808 3.291 -2.936 472 HD2 LYS 63 2HD LYS 63 5.394 4.770 -1.255 473 HD3 LYS 63 3HD LYS 63 6.594 5.707 -2.148 474 HE2 LYS 63 2HE LYS 63 4.625 6.721 -3.405 475 HE3 LYS 63 3HE LYS 63 3.602 6.003 -2.162 476 HZ1 LYS 63 3HZ LYS 63 4.050 7.710 -0.851 477 HZ2 LYS 63 1HZ LYS 63 5.016 8.408 -2.052 478 HZ3 LYS 63 2HZ LYS 63 5.706 7.368 -0.911 479 H THR 64 H THR 64 9.013 4.765 -5.353 480 HA THR 64 HA THR 64 10.645 2.412 -4.651 481 HB THR 64 HB THR 64 11.081 4.574 -6.633 482 HG1 THR 64 HG1 THR 64 12.323 2.705 -7.523 483 HG21 THR 64 3HG2 THR 64 13.586 4.121 -6.460 484 HG22 THR 64 1HG2 THR 64 13.250 3.502 -4.843 485 HG23 THR 64 2HG2 THR 64 12.883 5.181 -5.238 486 H VAL 65 H VAL 65 11.377 2.508 -2.639 487 HA VAL 65 HA VAL 65 11.229 4.641 -0.903 488 HB VAL 65 HB VAL 65 11.630 2.574 0.103 489 HG11 VAL 65 1HG1 VAL 65 13.847 2.305 -1.890 490 HG12 VAL 65 2HG1 VAL 65 13.838 1.330 -0.419 491 HG13 VAL 65 3HG1 VAL 65 12.501 1.215 -1.564 492 HG21 VAL 65 3HG2 VAL 65 14.422 3.385 0.468 493 HG22 VAL 65 1HG2 VAL 65 13.250 4.682 0.699 494 HG23 VAL 65 2HG2 VAL 65 13.128 3.203 1.653 495 H GLY 66 H GLY 66 13.879 3.751 -3.067 496 HA2 GLY 66 2HA GLY 66 14.850 6.167 -3.714 497 HA3 GLY 66 3HA GLY 66 15.539 5.934 -2.114 498 H PHE 67 H PHE 67 17.537 6.175 -3.484 499 HA PHE 67 HA PHE 67 18.388 3.509 -4.393 500 HB2 PHE 67 2HB PHE 67 19.731 4.547 -6.157 501 HB3 PHE 67 3HB PHE 67 18.030 4.959 -6.348 502 HD1 PHE 67 HD2 PHE 67 17.236 7.224 -5.770 503 HD2 PHE 67 HD1 PHE 67 21.370 6.209 -5.745 504 HE1 PHE 67 HE2 PHE 67 17.820 9.614 -5.808 505 HE2 PHE 67 HE1 PHE 67 21.960 8.598 -5.782 506 HZ PHE 67 HZ PHE 67 20.184 10.304 -5.815 507 H VAL 68 H VAL 68 20.523 2.935 -3.958 508 HA VAL 68 HA VAL 68 21.922 4.711 -2.065 509 HB VAL 68 HB VAL 68 21.935 1.690 -2.139 510 HG11 VAL 68 1HG1 VAL 68 23.850 1.793 -1.022 511 HG12 VAL 68 2HG1 VAL 68 23.808 3.557 -1.046 512 HG13 VAL 68 3HG1 VAL 68 23.023 2.673 0.263 513 HG21 VAL 68 3HG2 VAL 68 20.050 1.908 -0.960 514 HG22 VAL 68 1HG2 VAL 68 21.069 2.517 0.345 515 HG23 VAL 68 2HG2 VAL 68 20.280 3.644 -0.758 516 H VAL 69 H VAL 69 23.937 5.309 -2.556 517 HA VAL 69 HA VAL 69 25.225 4.030 -4.872 518 HB VAL 69 HB VAL 69 25.835 6.752 -3.717 519 HG11 VAL 69 1HG1 VAL 69 27.478 5.319 -5.213 520 HG12 VAL 69 2HG1 VAL 69 26.462 5.953 -6.510 521 HG13 VAL 69 3HG1 VAL 69 27.311 7.061 -5.431 522 HG21 VAL 69 3HG2 VAL 69 23.750 7.183 -4.534 523 HG22 VAL 69 1HG2 VAL 69 24.674 7.360 -6.026 524 HG23 VAL 69 2HG2 VAL 69 23.810 5.858 -5.696 525 H VAL 70 H VAL 70 26.882 2.741 -4.456 526 HA VAL 70 HA VAL 70 28.553 3.304 -2.092 527 HB VAL 70 HB VAL 70 28.013 0.540 -3.172 528 HG11 VAL 70 1HG1 VAL 70 29.978 0.412 -1.967 529 HG12 VAL 70 2HG1 VAL 70 29.482 1.661 -0.824 530 HG13 VAL 70 3HG1 VAL 70 28.774 0.048 -0.731 531 HG21 VAL 70 3HG2 VAL 70 25.991 0.645 -2.243 532 HG22 VAL 70 1HG2 VAL 70 26.797 0.763 -0.679 533 HG23 VAL 70 2HG2 VAL 70 26.326 2.228 -1.541 534 H ASN 71 H ASN 71 30.534 3.870 -2.672 535 HA ASN 71 HA ASN 71 31.692 2.661 -5.098 536 HB2 ASN 71 2HB ASN 71 32.370 5.387 -3.981 537 HB3 ASN 71 3HB ASN 71 32.894 4.703 -5.517 538 HD21 ASN 71 1HD2 ASN 71 30.288 6.166 -3.767 539 HD22 ASN 71 2HD2 ASN 71 29.266 6.460 -5.128 540 H ALA 72 H ALA 72 33.131 1.179 -4.500 541 HA ALA 72 HA ALA 72 34.459 1.193 -1.983 542 HB1 ALA 72 1HB ALA 72 35.227 -0.438 -4.393 543 HB2 ALA 72 2HB ALA 72 35.515 -0.809 -2.693 544 HB3 ALA 72 3HB ALA 72 33.874 -0.845 -3.337 545 H ASP 73 H ASP 73 35.274 2.319 -5.187 546 HA ASP 73 HA ASP 73 38.048 2.541 -4.934 547 HB2 ASP 73 2HB ASP 73 37.726 4.475 -6.616 548 HB3 ASP 73 3HB ASP 73 37.212 2.861 -7.098 549 H LYS 74 H LYS 74 35.461 4.734 -3.957 550 HA LYS 74 HA LYS 74 37.419 6.613 -2.866 551 HB2 LYS 74 2HB LYS 74 35.402 7.351 -4.239 552 HB3 LYS 74 3HB LYS 74 34.418 6.911 -2.849 553 HG2 LYS 74 2HG LYS 74 34.894 9.299 -2.894 554 HG3 LYS 74 3HG LYS 74 35.604 8.528 -1.474 555 HD2 LYS 74 2HD LYS 74 37.742 8.848 -2.200 556 HD3 LYS 74 3HD LYS 74 37.294 8.744 -3.904 557 HE2 LYS 74 2HE LYS 74 37.932 10.993 -3.494 558 HE3 LYS 74 3HE LYS 74 36.175 10.979 -3.637 559 HZ1 LYS 74 3HZ LYS 74 36.940 10.576 -0.944 560 HZ2 LYS 74 1HZ LYS 74 35.996 11.814 -1.609 561 HZ3 LYS 74 2HZ LYS 74 37.678 11.976 -1.542 562 H LYS 75 H LYS 75 35.412 4.043 -1.893 563 HA LYS 75 HA LYS 75 35.082 3.048 0.130 564 HB2 LYS 75 2HB LYS 75 36.833 5.139 1.405 565 HB3 LYS 75 3HB LYS 75 36.557 3.481 1.923 566 HG2 LYS 75 2HG LYS 75 37.638 2.955 -0.437 567 HG3 LYS 75 3HG LYS 75 38.365 4.542 -0.172 568 HD2 LYS 75 2HD LYS 75 39.253 3.790 1.971 569 HD3 LYS 75 3HD LYS 75 38.494 2.212 1.744 570 HE2 LYS 75 2HE LYS 75 39.870 2.281 -0.513 571 HE3 LYS 75 3HE LYS 75 40.878 3.392 0.412 572 HZ1 LYS 75 3HZ LYS 75 40.164 0.624 1.220 573 HZ2 LYS 75 1HZ LYS 75 41.129 1.691 2.111 574 HZ3 LYS 75 2HZ LYS 75 41.663 1.120 0.611 575 H LEU 76 H LEU 76 33.178 4.809 -0.744 576 HA LEU 76 HA LEU 76 32.119 5.796 1.796 577 HB2 LEU 76 2HB LEU 76 31.217 7.786 0.356 578 HB3 LEU 76 3HB LEU 76 32.822 7.847 1.083 579 HG LEU 76 HG LEU 76 33.825 7.260 -1.065 580 HD11 LEU 76 1HD1 LEU 76 30.964 7.159 -1.980 581 HD12 LEU 76 2HD1 LEU 76 32.197 5.904 -2.099 582 HD13 LEU 76 3HD1 LEU 76 32.318 7.356 -3.093 583 HD21 LEU 76 3HD2 LEU 76 32.092 9.643 -0.738 584 HD22 LEU 76 1HD2 LEU 76 32.781 9.350 -2.335 585 HD23 LEU 76 2HD2 LEU 76 33.841 9.528 -0.937 586 H MET 77 H MET 77 29.822 5.997 1.841 587 HA MET 77 HA MET 77 28.359 4.931 -0.450 588 HB2 MET 77 2HB MET 77 28.708 2.915 0.721 589 HB3 MET 77 3HB MET 77 28.451 3.679 2.284 590 HG2 MET 77 2HG MET 77 26.087 3.961 1.767 591 HG3 MET 77 3HG MET 77 26.340 3.214 0.191 592 HE1 MET 77 3HE MET 77 24.307 1.061 0.952 593 HE2 MET 77 1HE MET 77 24.258 0.896 2.707 594 HE3 MET 77 2HE MET 77 24.190 2.497 1.970 595 H SER 78 H SER 78 26.557 6.055 -0.794 596 HA SER 78 HA SER 78 25.405 7.568 1.459 597 HB2 SER 78 2HB SER 78 25.505 8.427 -1.443 598 HB3 SER 78 3HB SER 78 24.815 9.349 -0.108 599 HG SER 78 HG SER 78 27.415 9.097 -0.890 600 H VAL 79 H VAL 79 23.244 7.447 1.763 601 HA VAL 79 HA VAL 79 21.701 5.858 -0.184 602 HB VAL 79 HB VAL 79 21.210 6.003 2.793 603 HG11 VAL 79 1HG1 VAL 79 19.638 5.082 0.590 604 HG12 VAL 79 2HG1 VAL 79 20.072 3.711 1.612 605 HG13 VAL 79 3HG1 VAL 79 19.240 5.102 2.308 606 HG21 VAL 79 3HG2 VAL 79 23.072 4.401 1.249 607 HG22 VAL 79 1HG2 VAL 79 22.925 4.593 2.996 608 HG23 VAL 79 2HG2 VAL 79 21.929 3.407 2.152 609 H SER 80 H SER 80 20.147 6.952 -1.168 610 HA SER 80 HA SER 80 18.962 9.270 0.216 611 HB2 SER 80 2HB SER 80 18.414 9.956 -2.253 612 HB3 SER 80 3HB SER 80 20.031 10.236 -1.609 613 HG SER 80 HG SER 80 20.742 8.396 -2.669 614 H PHE 81 H PHE 81 16.928 8.973 0.804 615 HA PHE 81 HA PHE 81 15.143 7.444 -0.950 616 HB2 PHE 81 2HB PHE 81 14.100 6.534 1.236 617 HB3 PHE 81 3HB PHE 81 15.587 5.795 0.651 618 HD1 PHE 81 HD2 PHE 81 14.419 8.497 2.935 619 HD2 PHE 81 HD1 PHE 81 17.341 5.513 2.113 620 HE1 PHE 81 HE2 PHE 81 15.491 8.954 5.102 621 HE2 PHE 81 HE1 PHE 81 18.418 5.965 4.279 622 HZ PHE 81 HZ PHE 81 17.493 7.687 5.777 623 H SER 82 H SER 82 12.983 8.075 -0.910 624 HA SER 82 HA SER 82 12.459 10.597 0.522 625 HB2 SER 82 2HB SER 82 12.398 11.224 -1.717 626 HB3 SER 82 3HB SER 82 11.726 9.678 -2.237 627 HG SER 82 HG SER 82 10.253 11.549 -2.197 628 H ASP 83 H ASP 83 10.319 10.961 1.291 629 HA ASP 83 HA ASP 83 8.745 10.119 2.799 630 HB2 ASP 83 2HB ASP 83 7.906 9.481 -0.015 631 HB3 ASP 83 3HB ASP 83 6.848 9.105 1.342 632 H ILE 84 H ILE 84 9.932 8.552 3.973 633 HA ILE 84 HA ILE 84 9.189 5.791 3.284 634 HB ILE 84 HB ILE 84 11.321 4.949 4.015 635 HG12 ILE 84 2HG1 ILE 84 12.640 7.578 4.225 636 HG13 ILE 84 3HG1 ILE 84 11.510 7.213 5.524 637 HG21 ILE 84 1HG2 ILE 84 11.022 5.796 1.660 638 HG22 ILE 84 2HG2 ILE 84 11.901 7.242 2.156 639 HG23 ILE 84 3HG2 ILE 84 12.690 5.666 2.218 640 HD11 ILE 84 3HD1 ILE 84 12.827 4.930 5.547 641 HD12 ILE 84 1HD1 ILE 84 14.090 5.932 4.832 642 HD13 ILE 84 2HD1 ILE 84 13.415 6.353 6.406 643 H ASP 85 H ASP 85 9.207 4.315 5.141 644 HA ASP 85 HA ASP 85 8.245 5.692 7.537 645 HB2 ASP 85 2HB ASP 85 7.023 3.751 6.242 646 HB3 ASP 85 3HB ASP 85 8.097 2.724 7.188 647 H GLU 86 H GLU 86 8.855 4.870 9.660 648 HA GLU 86 HA GLU 86 11.658 4.679 9.950 649 HB2 GLU 86 2HB GLU 86 11.207 4.376 12.333 650 HB3 GLU 86 3HB GLU 86 10.222 5.671 11.668 651 HG2 GLU 86 2HG GLU 86 8.357 3.997 11.461 652 HG3 GLU 86 3HG GLU 86 9.357 2.891 12.401 653 H ASN 87 H ASN 87 9.162 2.311 9.595 654 HA ASN 87 HA ASN 87 10.386 0.084 10.766 655 HB2 ASN 87 2HB ASN 87 7.997 0.321 9.849 656 HB3 ASN 87 3HB ASN 87 8.693 -0.073 8.279 657 HD21 ASN 87 1HD2 ASN 87 7.405 -1.289 11.120 658 HD22 ASN 87 2HD2 ASN 87 7.837 -2.949 10.910 659 H MET 88 H MET 88 10.504 1.245 7.405 660 HA MET 88 HA MET 88 12.423 -0.761 6.643 661 HB2 MET 88 2HB MET 88 12.432 0.380 4.472 662 HB3 MET 88 3HB MET 88 10.792 0.062 5.020 663 HG2 MET 88 2HG MET 88 10.806 2.449 5.907 664 HG3 MET 88 3HG MET 88 12.258 2.672 4.935 665 HE1 MET 88 3HE MET 88 12.145 1.593 2.296 666 HE2 MET 88 1HE MET 88 11.001 0.314 2.705 667 HE3 MET 88 2HE MET 88 10.618 1.461 1.421 668 H LYS 89 H LYS 89 12.479 2.607 7.604 669 HA LYS 89 HA LYS 89 14.980 3.406 6.773 670 HB2 LYS 89 2HB LYS 89 13.325 4.853 7.924 671 HB3 LYS 89 3HB LYS 89 13.703 4.044 9.439 672 HG2 LYS 89 2HG LYS 89 15.982 4.863 9.341 673 HG3 LYS 89 3HG LYS 89 15.662 5.618 7.778 674 HD2 LYS 89 2HD LYS 89 13.909 7.003 8.876 675 HD3 LYS 89 3HD LYS 89 14.399 6.319 10.428 676 HE2 LYS 89 2HE LYS 89 15.521 8.384 10.260 677 HE3 LYS 89 3HE LYS 89 16.733 7.156 9.898 678 HZ1 LYS 89 3HZ LYS 89 15.689 9.244 8.224 679 HZ2 LYS 89 1HZ LYS 89 15.694 7.732 7.466 680 HZ3 LYS 89 2HZ LYS 89 17.131 8.370 8.089 681 H LYS 90 H LYS 90 14.120 1.442 9.576 682 HA LYS 90 HA LYS 90 16.605 1.378 10.845 683 HB2 LYS 90 2HB LYS 90 15.807 -0.506 12.043 684 HB3 LYS 90 3HB LYS 90 14.397 0.493 11.718 685 HG2 LYS 90 2HG LYS 90 13.508 -1.483 11.108 686 HG3 LYS 90 3HG LYS 90 14.297 -1.107 9.575 687 HD2 LYS 90 2HD LYS 90 14.854 -3.357 10.123 688 HD3 LYS 90 3HD LYS 90 16.297 -2.380 10.403 689 HE2 LYS 90 2HE LYS 90 15.046 -2.282 12.834 690 HE3 LYS 90 3HE LYS 90 14.662 -3.913 12.285 691 HZ1 LYS 90 3HZ LYS 90 16.747 -4.573 12.612 692 HZ2 LYS 90 1HZ LYS 90 16.976 -3.141 13.484 693 HZ3 LYS 90 2HZ LYS 90 17.406 -3.213 11.850 694 H VAL 91 H VAL 91 15.339 -0.545 8.176 695 HA VAL 91 HA VAL 91 17.547 -2.350 8.074 696 HB VAL 91 HB VAL 91 16.459 -3.391 6.382 697 HG11 VAL 91 1HG1 VAL 91 14.150 -1.599 7.073 698 HG12 VAL 91 2HG1 VAL 91 14.131 -3.317 6.670 699 HG13 VAL 91 3HG1 VAL 91 14.791 -2.779 8.215 700 HG21 VAL 91 3HG2 VAL 91 15.182 -2.163 4.598 701 HG22 VAL 91 1HG2 VAL 91 15.747 -0.661 5.330 702 HG23 VAL 91 2HG2 VAL 91 16.909 -1.808 4.663 703 H ILE 92 H ILE 92 16.738 0.679 6.472 704 HA ILE 92 HA ILE 92 18.836 0.616 4.568 705 HB ILE 92 HB ILE 92 17.636 3.142 5.673 706 HG12 ILE 92 2HG1 ILE 92 16.419 1.125 3.793 707 HG13 ILE 92 3HG1 ILE 92 15.713 1.826 5.246 708 HG21 ILE 92 1HG2 ILE 92 19.544 3.227 4.058 709 HG22 ILE 92 2HG2 ILE 92 18.497 2.449 2.873 710 HG23 ILE 92 3HG2 ILE 92 18.079 4.040 3.508 711 HD11 ILE 92 3HD1 ILE 92 14.616 2.828 3.428 712 HD12 ILE 92 1HD1 ILE 92 15.746 4.038 4.035 713 HD13 ILE 92 2HD1 ILE 92 16.131 3.125 2.576 714 H LYS 93 H LYS 93 18.526 2.181 7.743 715 HA LYS 93 HA LYS 93 21.085 3.374 7.740 716 HB2 LYS 93 2HB LYS 93 19.028 3.811 9.270 717 HB3 LYS 93 3HB LYS 93 19.689 2.513 10.256 718 HG2 LYS 93 2HG LYS 93 21.611 3.728 10.778 719 HG3 LYS 93 3HG LYS 93 21.362 4.865 9.451 720 HD2 LYS 93 2HD LYS 93 19.477 5.846 10.572 721 HD3 LYS 93 3HD LYS 93 19.531 4.614 11.835 722 HE2 LYS 93 2HE LYS 93 22.009 5.538 12.086 723 HE3 LYS 93 3HE LYS 93 21.268 6.985 11.404 724 HZ1 LYS 93 3HZ LYS 93 19.492 6.498 13.241 725 HZ2 LYS 93 1HZ LYS 93 20.917 7.330 13.615 726 HZ3 LYS 93 2HZ LYS 93 20.776 5.685 13.984 727 H ALA 94 H ALA 94 19.897 0.281 8.988 728 HA ALA 94 HA ALA 94 22.297 -0.528 10.228 729 HB1 ALA 94 1HB ALA 94 20.349 -1.672 10.870 730 HB2 ALA 94 2HB ALA 94 19.919 -2.050 9.201 731 HB3 ALA 94 3HB ALA 94 21.294 -2.852 9.961 732 H THR 95 H THR 95 21.085 -0.864 6.941 733 HA THR 95 HA THR 95 23.078 -2.671 6.041 734 HB THR 95 HB THR 95 21.281 -0.766 4.540 735 HG1 THR 95 HG1 THR 95 19.949 -2.376 4.817 736 HG21 THR 95 3HG2 THR 95 22.124 -2.686 2.744 737 HG22 THR 95 1HG2 THR 95 23.600 -2.265 3.612 738 HG23 THR 95 2HG2 THR 95 22.667 -1.009 2.797 739 H ALA 96 H ALA 96 22.767 0.861 5.872 740 HA ALA 96 HA ALA 96 25.160 1.299 4.427 741 HB1 ALA 96 1HB ALA 96 24.709 3.527 4.630 742 HB2 ALA 96 2HB ALA 96 23.106 2.870 4.964 743 HB3 ALA 96 3HB ALA 96 24.146 3.377 6.295 744 H GLU 97 H GLU 97 24.414 1.494 7.901 745 HA GLU 97 HA GLU 97 27.005 2.218 8.732 746 HB2 GLU 97 2HB GLU 97 26.256 1.891 10.917 747 HB3 GLU 97 3HB GLU 97 24.782 2.282 10.042 748 HG2 GLU 97 2HG GLU 97 24.078 0.498 11.270 749 HG3 GLU 97 3HG GLU 97 24.601 -0.317 9.797 750 H LYS 98 H LYS 98 25.510 -0.881 8.078 751 HA LYS 98 HA LYS 98 27.357 -2.573 9.313 752 HB2 LYS 98 2HB LYS 98 25.226 -3.367 8.414 753 HB3 LYS 98 3HB LYS 98 25.769 -3.020 6.778 754 HG2 LYS 98 2HG LYS 98 26.186 -5.251 6.849 755 HG3 LYS 98 3HG LYS 98 27.730 -4.651 7.460 756 HD2 LYS 98 2HD LYS 98 27.215 -6.288 9.005 757 HD3 LYS 98 3HD LYS 98 26.569 -4.843 9.786 758 HE2 LYS 98 2HE LYS 98 24.343 -5.378 9.041 759 HE3 LYS 98 3HE LYS 98 24.946 -6.734 8.089 760 HZ1 LYS 98 3HZ LYS 98 25.200 -6.547 11.040 761 HZ2 LYS 98 1HZ LYS 98 25.546 -7.887 10.067 762 HZ3 LYS 98 2HZ LYS 98 23.948 -7.368 10.253 763 H PHE 99 H PHE 99 27.422 -1.008 6.155 764 HA PHE 99 HA PHE 99 29.674 -2.366 5.133 765 HB2 PHE 99 2HB PHE 99 28.186 0.115 4.450 766 HB3 PHE 99 3HB PHE 99 29.818 -0.039 3.810 767 HD1 PHE 99 HD1 PHE 99 30.379 -2.109 2.457 768 HD2 PHE 99 HD2 PHE 99 26.395 -0.981 3.441 769 HE1 PHE 99 HE1 PHE 99 29.530 -3.528 0.635 770 HE2 PHE 99 HE2 PHE 99 25.539 -2.399 1.621 771 HZ PHE 99 HZ PHE 99 27.108 -3.674 0.214 772 H LYS 100 H LYS 100 29.318 0.407 7.229 773 HA LYS 100 HA LYS 100 31.909 1.463 7.029 774 HB2 LYS 100 2HB LYS 100 29.699 2.261 8.300 775 HB3 LYS 100 3HB LYS 100 30.529 1.525 9.665 776 HG2 LYS 100 2HG LYS 100 32.108 3.376 7.986 777 HG3 LYS 100 3HG LYS 100 30.835 4.082 8.985 778 HD2 LYS 100 2HD LYS 100 31.955 3.693 10.897 779 HD3 LYS 100 3HD LYS 100 32.509 2.104 10.363 780 HE2 LYS 100 2HE LYS 100 34.528 3.020 10.137 781 HE3 LYS 100 3HE LYS 100 33.881 3.868 8.733 782 HZ1 LYS 100 3HZ LYS 100 33.079 5.512 10.614 783 HZ2 LYS 100 1HZ LYS 100 34.621 5.629 9.926 784 HZ3 LYS 100 2HZ LYS 100 34.419 4.868 11.423 785 H ASN 101 H ASN 101 30.655 -1.290 8.753 786 HA ASN 101 HA ASN 101 32.734 -1.642 10.612 787 HB2 ASN 101 2HB ASN 101 31.088 -3.822 9.316 788 HB3 ASN 101 3HB ASN 101 31.913 -3.899 10.870 789 HD21 ASN 101 1HD2 ASN 101 29.174 -4.410 10.450 790 HD22 ASN 101 2HD2 ASN 101 28.272 -3.217 11.315 791 H LYS 102 H LYS 102 32.683 -1.992 7.234 792 HA LYS 102 HA LYS 102 35.026 -3.759 7.243 793 HB2 LYS 102 2HB LYS 102 32.942 -4.123 5.743 794 HB3 LYS 102 3HB LYS 102 33.600 -2.812 4.774 795 HG2 LYS 102 2HG LYS 102 34.382 -4.751 3.746 796 HG3 LYS 102 3HG LYS 102 35.753 -4.177 4.698 797 HD2 LYS 102 2HD LYS 102 34.698 -5.757 6.530 798 HD3 LYS 102 3HD LYS 102 34.005 -6.552 5.114 799 HE2 LYS 102 2HE LYS 102 36.937 -5.929 5.347 800 HE3 LYS 102 3HE LYS 102 36.239 -7.431 5.950 801 HZ1 LYS 102 3HZ LYS 102 35.322 -7.723 3.635 802 HZ2 LYS 102 1HZ LYS 102 36.997 -7.891 3.795 803 HZ3 LYS 102 2HZ LYS 102 36.348 -6.467 3.154 804 H GLY 103 H GLY 103 34.251 -0.510 7.181 805 HA2 GLY 103 2HA GLY 103 35.996 1.132 7.232 806 HA3 GLY 103 3HA GLY 103 36.920 0.131 6.123 807 H PHE 104 H PHE 104 33.685 1.638 6.167 808 HA PHE 104 HA PHE 104 34.341 3.045 3.699 809 HB2 PHE 104 2HB PHE 104 31.960 1.196 3.955 810 HB3 PHE 104 3HB PHE 104 32.245 2.296 2.611 811 HD1 PHE 104 HD2 PHE 104 33.456 -0.734 4.314 812 HD2 PHE 104 HD1 PHE 104 33.770 1.756 0.876 813 HE1 PHE 104 HE2 PHE 104 34.775 -2.474 3.178 814 HE2 PHE 104 HE1 PHE 104 35.088 0.020 -0.265 815 HZ PHE 104 HZ PHE 104 35.591 -2.099 0.885 816 H LYS 105 H LYS 105 33.592 5.062 3.741 817 HA LYS 105 HA LYS 105 32.303 6.156 5.957 818 HB2 LYS 105 2HB LYS 105 33.614 7.530 4.455 819 HB3 LYS 105 3HB LYS 105 32.510 7.198 3.128 820 HG2 LYS 105 2HG LYS 105 32.077 9.397 3.958 821 HG3 LYS 105 3HG LYS 105 30.719 8.355 4.391 822 HD2 LYS 105 2HD LYS 105 31.110 9.532 6.354 823 HD3 LYS 105 3HD LYS 105 31.993 8.027 6.621 824 HE2 LYS 105 2HE LYS 105 34.062 9.148 5.881 825 HE3 LYS 105 3HE LYS 105 33.161 10.652 5.699 826 HZ1 LYS 105 3HZ LYS 105 33.930 10.953 7.789 827 HZ2 LYS 105 1HZ LYS 105 34.048 9.299 8.124 828 HZ3 LYS 105 2HZ LYS 105 32.544 10.071 8.193 829 H VAL 106 H VAL 106 30.198 6.836 6.347 830 HA VAL 106 HA VAL 106 28.146 5.741 4.535 831 HB VAL 106 HB VAL 106 27.793 5.942 7.518 832 HG11 VAL 106 1HG1 VAL 106 25.708 5.775 6.477 833 HG12 VAL 106 2HG1 VAL 106 26.299 4.631 5.270 834 HG13 VAL 106 3HG1 VAL 106 26.087 4.118 6.945 835 HG21 VAL 106 3HG2 VAL 106 29.331 3.995 5.991 836 HG22 VAL 106 1HG2 VAL 106 29.275 4.283 7.730 837 HG23 VAL 106 2HG2 VAL 106 28.059 3.260 6.965 838 H GLU 107 H GLU 107 26.729 7.178 3.798 839 HA GLU 107 HA GLU 107 26.274 9.638 5.346 840 HB2 GLU 107 2HB GLU 107 27.736 10.274 3.556 841 HB3 GLU 107 3HB GLU 107 26.773 9.391 2.380 842 HG2 GLU 107 2HG GLU 107 26.394 11.771 2.184 843 HG3 GLU 107 3HG GLU 107 24.926 10.950 2.712 844 H THR 108 H THR 108 24.201 10.402 5.392 845 HA THR 108 HA THR 108 22.178 8.783 3.984 846 HB THR 108 HB THR 108 20.678 9.014 5.830 847 HG1 THR 108 HG1 THR 108 20.925 10.906 6.801 848 HG21 THR 108 3HG2 THR 108 23.362 8.417 7.065 849 HG22 THR 108 1HG2 THR 108 22.524 7.299 5.990 850 HG23 THR 108 2HG2 THR 108 21.789 7.765 7.524 851 H ASP 109 H ASP 109 20.719 9.833 2.773 852 HA ASP 109 HA ASP 109 20.439 12.740 3.109 853 HB2 ASP 109 2HB ASP 109 21.894 11.726 1.070 854 HB3 ASP 109 3HB ASP 109 20.292 11.706 0.338 855 H MET 110 H MET 110 18.428 13.609 2.517 856 HA MET 110 HA MET 110 16.328 11.726 1.741 857 HB2 MET 110 2HB MET 110 16.429 11.903 4.259 858 HB3 MET 110 3HB MET 110 15.994 13.598 4.087 859 HG2 MET 110 2HG MET 110 13.969 12.723 2.766 860 HG3 MET 110 3HG MET 110 14.358 11.167 3.494 861 HE1 MET 110 3HE MET 110 14.144 14.928 4.433 862 HE2 MET 110 1HE MET 110 12.482 14.529 3.998 863 HE3 MET 110 2HE MET 110 12.883 14.934 5.667 Start of MODEL 3 1 H1 MET 1 H MET 1 0.522 0.219 0.095 2 HA MET 1 HA MET 1 1.452 -0.388 -2.116 3 HB2 MET 1 2HB MET 1 3.192 1.641 -2.134 4 HB3 MET 1 3HB MET 1 1.451 1.890 -2.124 5 HG2 MET 1 2HG MET 1 2.570 3.345 -0.531 6 HG3 MET 1 3HG MET 1 1.488 2.214 0.278 7 HE1 MET 1 3HE MET 1 5.337 0.720 -0.702 8 HE2 MET 1 1HE MET 1 4.834 2.304 -1.293 9 HE3 MET 1 2HE MET 1 5.994 2.184 0.031 10 H THR 2 H THR 2 3.614 -0.354 -3.306 11 HA THR 2 HA THR 2 5.496 -2.040 -1.802 12 HB THR 2 HB THR 2 5.485 -1.766 -4.797 13 HG1 THR 2 HG1 THR 2 3.716 -3.202 -3.144 14 HG21 THR 2 3HG2 THR 2 7.337 -2.995 -4.293 15 HG22 THR 2 1HG2 THR 2 6.152 -4.301 -4.304 16 HG23 THR 2 2HG2 THR 2 6.666 -3.588 -2.774 17 H LEU 3 H LEU 3 7.501 -1.353 -1.394 18 HA LEU 3 HA LEU 3 8.450 1.061 -2.794 19 HB2 LEU 3 2HB LEU 3 7.995 0.696 -0.070 20 HB3 LEU 3 3HB LEU 3 9.744 0.574 -0.254 21 HG LEU 3 HG LEU 3 9.905 2.778 -1.094 22 HD11 LEU 3 1HD1 LEU 3 7.378 3.904 -1.070 23 HD12 LEU 3 2HD1 LEU 3 7.143 2.338 -1.846 24 HD13 LEU 3 3HD1 LEU 3 8.325 3.474 -2.495 25 HD21 LEU 3 3HD2 LEU 3 8.656 2.228 1.406 26 HD22 LEU 3 1HD2 LEU 3 8.007 3.739 0.768 27 HD23 LEU 3 2HD2 LEU 3 9.747 3.547 0.980 28 H CYS 4 H CYS 4 10.229 0.813 -3.964 29 HA CYS 4 HA CYS 4 12.042 -1.414 -3.306 30 HB2 CYS 4 2HB CYS 4 10.920 -1.990 -5.341 31 HB3 CYS 4 3HB CYS 4 11.181 -0.384 -6.010 32 HG CYS 4 HG CYS 4 13.941 -0.697 -6.298 33 H ALA 5 H ALA 5 14.272 -1.083 -3.671 34 HA ALA 5 HA ALA 5 15.080 1.712 -4.107 35 HB1 ALA 5 1HB ALA 5 16.712 0.192 -2.188 36 HB2 ALA 5 2HB ALA 5 16.201 1.880 -2.162 37 HB3 ALA 5 3HB ALA 5 15.090 0.615 -1.638 38 H MET 6 H MET 6 16.944 2.020 -5.257 39 HA MET 6 HA MET 6 18.219 -0.412 -6.322 40 HB2 MET 6 2HB MET 6 17.032 0.872 -8.029 41 HB3 MET 6 3HB MET 6 17.935 2.316 -7.594 42 HG2 MET 6 2HG MET 6 20.022 0.994 -8.202 43 HG3 MET 6 3HG MET 6 18.926 -0.167 -8.946 44 HE1 MET 6 3HE MET 6 20.443 3.765 -10.008 45 HE2 MET 6 1HE MET 6 18.764 4.203 -9.688 46 HE3 MET 6 2HE MET 6 19.710 3.378 -8.450 47 H TYR 7 H TYR 7 20.271 -0.746 -5.794 48 HA TYR 7 HA TYR 7 21.896 1.563 -4.947 49 HB2 TYR 7 2HB TYR 7 22.996 0.170 -3.314 50 HB3 TYR 7 3HB TYR 7 21.257 0.050 -3.067 51 HD1 TYR 7 HD1 TYR 7 20.050 -2.001 -3.844 52 HD2 TYR 7 HD2 TYR 7 24.297 -1.742 -3.838 53 HE1 TYR 7 HE1 TYR 7 20.193 -4.451 -3.996 54 HE2 TYR 7 HE2 TYR 7 24.452 -4.192 -3.991 55 HH TYR 7 HH TYR 7 22.794 -6.189 -3.279 56 H ASN 8 H ASN 8 24.066 1.591 -5.546 57 HA ASN 8 HA ASN 8 24.854 -0.424 -7.547 58 HB2 ASN 8 2HB ASN 8 25.821 1.241 -8.922 59 HB3 ASN 8 3HB ASN 8 24.251 1.887 -8.454 60 HD21 ASN 8 1HD2 ASN 8 24.193 3.852 -7.623 61 HD22 ASN 8 2HD2 ASN 8 25.551 4.735 -7.022 62 H ILE 9 H ILE 9 26.866 -1.268 -7.383 63 HA ILE 9 HA ILE 9 28.563 -0.246 -5.200 64 HB ILE 9 HB ILE 9 29.529 -2.665 -5.329 65 HG12 ILE 9 2HG1 ILE 9 27.909 -3.026 -7.382 66 HG13 ILE 9 3HG1 ILE 9 28.232 -4.335 -6.250 67 HG21 ILE 9 1HG2 ILE 9 27.561 -3.412 -3.806 68 HG22 ILE 9 2HG2 ILE 9 28.578 -2.058 -3.314 69 HG23 ILE 9 3HG2 ILE 9 26.995 -1.757 -4.032 70 HD11 ILE 9 3HD1 ILE 9 25.918 -2.542 -5.738 71 HD12 ILE 9 1HD1 ILE 9 25.794 -3.764 -7.004 72 HD13 ILE 9 2HD1 ILE 9 26.140 -4.246 -5.342 73 H SER 10 H SER 10 30.595 0.340 -5.658 74 HA SER 10 HA SER 10 31.583 -0.182 -8.383 75 HB2 SER 10 2HB SER 10 31.138 2.243 -7.433 76 HB3 SER 10 3HB SER 10 32.715 2.003 -6.681 77 HG SER 10 HG SER 10 33.360 2.712 -8.573 78 H MET 11 H MET 11 33.252 -1.511 -8.563 79 HA MET 11 HA MET 11 34.727 -2.308 -6.194 80 HB2 MET 11 2HB MET 11 35.681 -4.044 -7.600 81 HB3 MET 11 3HB MET 11 33.934 -4.007 -7.798 82 HG2 MET 11 2HG MET 11 35.402 -2.350 -9.711 83 HG3 MET 11 3HG MET 11 35.740 -4.076 -9.823 84 HE1 MET 11 3HE MET 11 33.128 -2.126 -12.242 85 HE2 MET 11 1HE MET 11 34.844 -2.336 -11.895 86 HE3 MET 11 2HE MET 11 33.951 -3.610 -12.724 87 H ALA 12 H ALA 12 35.005 0.133 -8.382 88 HA ALA 12 HA ALA 12 37.540 0.952 -7.541 89 HB1 ALA 12 1HB ALA 12 39.036 0.093 -8.959 90 HB2 ALA 12 2HB ALA 12 37.800 -1.107 -9.338 91 HB3 ALA 12 3HB ALA 12 37.980 0.324 -10.353 92 H GLY 13 H GLY 13 38.453 2.349 -9.773 93 HA2 GLY 13 2HA GLY 13 36.439 4.430 -9.907 94 HA3 GLY 13 3HA GLY 13 38.087 4.530 -10.509 95 H SER 14 H SER 14 35.593 2.129 -11.265 96 HA SER 14 HA SER 14 35.505 3.163 -14.015 97 HB2 SER 14 2HB SER 14 37.053 1.158 -13.767 98 HB3 SER 14 3HB SER 14 35.615 0.210 -13.387 99 HG SER 14 HG SER 14 36.068 1.686 -15.771 100 H HIS 15 H HIS 15 33.621 2.433 -15.238 101 HA HIS 15 HA HIS 15 31.220 2.978 -14.222 102 HB2 HIS 15 2HB HIS 15 30.235 1.299 -15.867 103 HB3 HIS 15 3HB HIS 15 31.334 2.500 -16.538 104 HD1 HIS 15 HD1 HIS 15 33.741 1.643 -17.200 105 HD2 HIS 15 HD2 HIS 15 31.023 -1.325 -16.168 106 HE1 HIS 15 HE1 HIS 15 34.749 -0.509 -18.025 107 HA PRO 16 HA PRO 16 30.890 -0.123 -10.968 108 HB2 PRO 16 2HB PRO 16 28.829 1.109 -9.701 109 HB3 PRO 16 3HB PRO 16 30.513 1.611 -9.509 110 HG2 PRO 16 2HG PRO 16 28.373 2.780 -11.246 111 HG3 PRO 16 3HG PRO 16 29.573 3.610 -10.239 112 HD2 PRO 16 2HD PRO 16 29.860 3.332 -12.917 113 HD3 PRO 16 3HD PRO 16 31.245 3.361 -11.806 114 H THR 17 H THR 17 28.695 -1.045 -9.947 115 HA THR 17 HA THR 17 26.998 -1.818 -12.229 116 HB THR 17 HB THR 17 27.637 -3.448 -9.762 117 HG1 THR 17 HG1 THR 17 29.394 -3.741 -10.959 118 HG21 THR 17 3HG2 THR 17 25.476 -4.078 -10.473 119 HG22 THR 17 1HG2 THR 17 26.562 -5.277 -11.175 120 HG23 THR 17 2HG2 THR 17 25.919 -3.976 -12.177 121 H THR 18 H THR 18 24.865 -1.481 -12.090 122 HA THR 18 HA THR 18 23.811 -0.450 -9.546 123 HB THR 18 HB THR 18 22.131 -0.177 -11.950 124 HG1 THR 18 HG1 THR 18 23.977 0.324 -13.022 125 HG21 THR 18 3HG2 THR 18 23.102 1.945 -10.051 126 HG22 THR 18 1HG2 THR 18 21.781 0.850 -9.645 127 HG23 THR 18 2HG2 THR 18 21.633 1.938 -11.026 128 H ILE 19 H ILE 19 21.963 -1.283 -8.632 129 HA ILE 19 HA ILE 19 20.599 -3.491 -9.970 130 HB ILE 19 HB ILE 19 22.376 -3.797 -7.668 131 HG12 ILE 19 2HG1 ILE 19 21.092 -5.572 -9.732 132 HG13 ILE 19 3HG1 ILE 19 22.792 -5.153 -9.549 133 HG21 ILE 19 1HG2 ILE 19 19.591 -4.943 -7.529 134 HG22 ILE 19 2HG2 ILE 19 20.934 -5.402 -6.484 135 HG23 ILE 19 3HG2 ILE 19 20.296 -3.759 -6.428 136 HD11 ILE 19 3HD1 ILE 19 21.173 -6.973 -7.788 137 HD12 ILE 19 1HD1 ILE 19 22.475 -7.425 -8.887 138 HD13 ILE 19 2HD1 ILE 19 22.828 -6.467 -7.449 139 H CYS 20 H CYS 20 18.470 -3.684 -9.437 140 HA CYS 20 HA CYS 20 17.449 -1.833 -7.384 141 HB2 CYS 20 2HB CYS 20 15.356 -1.749 -8.817 142 HB3 CYS 20 3HB CYS 20 16.773 -0.942 -9.479 143 HG CYS 20 HG CYS 20 15.524 -2.131 -11.619 144 H VAL 21 H VAL 21 16.530 -2.828 -5.728 145 HA VAL 21 HA VAL 21 14.958 -5.253 -6.196 146 HB VAL 21 HB VAL 21 15.936 -6.308 -4.161 147 HG11 VAL 21 1HG1 VAL 21 16.698 -7.220 -6.169 148 HG12 VAL 21 2HG1 VAL 21 17.624 -5.776 -6.582 149 HG13 VAL 21 3HG1 VAL 21 18.180 -6.842 -5.292 150 HG21 VAL 21 3HG2 VAL 21 16.858 -4.074 -3.326 151 HG22 VAL 21 1HG2 VAL 21 17.878 -5.499 -3.128 152 HG23 VAL 21 2HG2 VAL 21 18.203 -4.356 -4.431 153 H VAL 22 H VAL 22 13.305 -5.612 -4.703 154 HA VAL 22 HA VAL 22 12.194 -3.298 -3.513 155 HB VAL 22 HB VAL 22 10.491 -4.813 -2.577 156 HG11 VAL 22 1HG1 VAL 22 10.234 -6.034 -5.036 157 HG12 VAL 22 2HG1 VAL 22 9.646 -4.427 -4.607 158 HG13 VAL 22 3HG1 VAL 22 11.217 -4.613 -5.386 159 HG21 VAL 22 3HG2 VAL 22 10.907 -7.275 -3.630 160 HG22 VAL 22 1HG2 VAL 22 12.553 -6.814 -3.197 161 HG23 VAL 22 2HG2 VAL 22 11.289 -6.829 -1.967 162 H MET 23 H MET 23 11.708 -2.934 -1.274 163 HA MET 23 HA MET 23 13.883 -3.065 0.432 164 HB2 MET 23 2HB MET 23 12.262 -2.523 2.249 165 HB3 MET 23 3HB MET 23 12.110 -1.491 0.833 166 HG2 MET 23 2HG MET 23 9.933 -1.924 0.986 167 HG3 MET 23 3HG MET 23 10.341 -3.477 0.260 168 HE1 MET 23 3HE MET 23 8.001 -2.355 1.993 169 HE2 MET 23 1HE MET 23 7.656 -3.397 3.373 170 HE3 MET 23 2HE MET 23 8.618 -1.936 3.592 171 H ASP 24 H ASP 24 11.154 -5.282 0.118 172 HA ASP 24 HA ASP 24 11.645 -6.879 2.359 173 HB2 ASP 24 2HB ASP 24 10.538 -7.816 -0.295 174 HB3 ASP 24 3HB ASP 24 10.282 -8.561 1.280 175 H ARG 25 H ARG 25 13.017 -6.967 -0.884 176 HA ARG 25 HA ARG 25 14.662 -9.277 -0.159 177 HB2 ARG 25 2HB ARG 25 14.230 -7.873 -2.801 178 HB3 ARG 25 3HB ARG 25 15.324 -9.231 -2.571 179 HG2 ARG 25 2HG ARG 25 12.364 -9.322 -2.035 180 HG3 ARG 25 3HG ARG 25 13.133 -9.862 -3.528 181 HD2 ARG 25 2HD ARG 25 14.597 -11.285 -1.869 182 HD3 ARG 25 3HD ARG 25 13.212 -11.062 -0.802 183 HE ARG 25 HE ARG 25 12.248 -11.921 -3.270 184 HH11 ARG 25 1HH1 ARG 25 14.232 -13.118 -0.672 185 HH12 ARG 25 2HH1 ARG 25 13.805 -14.776 -0.936 186 HH21 ARG 25 1HH2 ARG 25 11.678 -14.100 -3.627 187 HH22 ARG 25 2HH2 ARG 25 12.353 -15.334 -2.618 188 H PHE 26 H PHE 26 14.807 -5.909 -0.235 189 HA PHE 26 HA PHE 26 17.477 -5.460 -1.003 190 HB2 PHE 26 2HB PHE 26 15.812 -3.658 -0.826 191 HB3 PHE 26 3HB PHE 26 15.763 -3.873 0.920 192 HD1 PHE 26 HD1 PHE 26 18.557 -3.638 -1.542 193 HD2 PHE 26 HD2 PHE 26 16.717 -2.067 1.960 194 HE1 PHE 26 HE1 PHE 26 20.403 -2.030 -1.297 195 HE2 PHE 26 HE2 PHE 26 18.559 -0.455 2.210 196 HZ PHE 26 HZ PHE 26 20.407 -0.436 0.581 197 H LEU 27 H LEU 27 16.011 -6.077 2.163 198 HA LEU 27 HA LEU 27 18.285 -5.733 3.741 199 HB2 LEU 27 2HB LEU 27 17.137 -7.278 5.340 200 HB3 LEU 27 3HB LEU 27 16.176 -5.903 4.799 201 HG LEU 27 HG LEU 27 15.432 -7.850 3.027 202 HD11 LEU 27 1HD1 LEU 27 15.520 -9.917 3.873 203 HD12 LEU 27 2HD1 LEU 27 15.132 -9.370 5.504 204 HD13 LEU 27 3HD1 LEU 27 16.792 -9.278 4.915 205 HD21 LEU 27 3HD2 LEU 27 13.969 -6.286 4.209 206 HD22 LEU 27 1HD2 LEU 27 14.176 -7.214 5.695 207 HD23 LEU 27 2HD2 LEU 27 13.361 -7.939 4.309 208 H GLU 28 H GLU 28 17.011 -8.695 2.237 209 HA GLU 28 HA GLU 28 19.140 -10.348 3.139 210 HB2 GLU 28 2HB GLU 28 16.755 -10.971 2.255 211 HB3 GLU 28 3HB GLU 28 17.543 -10.976 0.684 212 HG2 GLU 28 2HG GLU 28 17.418 -13.207 1.711 213 HG3 GLU 28 3HG GLU 28 19.071 -12.685 1.393 214 H SER 29 H SER 29 18.480 -8.665 0.094 215 HA SER 29 HA SER 29 20.614 -9.655 -1.402 216 HB2 SER 29 2HB SER 29 18.985 -8.432 -2.590 217 HB3 SER 29 3HB SER 29 19.098 -7.053 -1.497 218 HG SER 29 HG SER 29 20.914 -7.881 -3.494 219 H PHE 30 H PHE 30 20.460 -6.887 0.797 220 HA PHE 30 HA PHE 30 23.085 -5.956 0.310 221 HB2 PHE 30 2HB PHE 30 22.234 -4.268 1.507 222 HB3 PHE 30 3HB PHE 30 20.884 -5.271 2.027 223 HD1 PHE 30 HD2 PHE 30 24.448 -4.544 2.794 224 HD2 PHE 30 HD1 PHE 30 20.674 -5.863 4.255 225 HE1 PHE 30 HE2 PHE 30 25.339 -4.541 5.088 226 HE2 PHE 30 HE1 PHE 30 21.558 -5.862 6.551 227 HZ PHE 30 HZ PHE 30 23.893 -5.199 6.970 228 H SER 31 H SER 31 21.729 -8.094 2.793 229 HA SER 31 HA SER 31 24.005 -8.461 4.342 230 HB2 SER 31 2HB SER 31 21.532 -9.344 4.607 231 HB3 SER 31 3HB SER 31 22.188 -10.785 3.831 232 HG SER 31 HG SER 31 23.267 -9.559 6.153 233 H GLU 32 H GLU 32 22.929 -10.270 1.482 234 HA GLU 32 HA GLU 32 25.188 -12.022 1.490 235 HB2 GLU 32 2HB GLU 32 22.863 -12.412 0.444 236 HB3 GLU 32 3HB GLU 32 23.462 -11.460 -0.908 237 HG2 GLU 32 2HG GLU 32 23.853 -13.653 -1.551 238 HG3 GLU 32 3HG GLU 32 25.420 -13.104 -0.957 239 H LEU 33 H LEU 33 24.303 -9.095 -0.286 240 HA LEU 33 HA LEU 33 26.387 -9.026 -2.121 241 HB2 LEU 33 2HB LEU 33 24.499 -7.510 -2.223 242 HB3 LEU 33 3HB LEU 33 25.007 -6.740 -0.722 243 HG LEU 33 HG LEU 33 25.468 -5.561 -2.979 244 HD11 LEU 33 1HD1 LEU 33 27.893 -5.791 -1.253 245 HD12 LEU 33 2HD1 LEU 33 26.400 -5.125 -0.590 246 HD13 LEU 33 3HD1 LEU 33 27.164 -4.361 -1.984 247 HD21 LEU 33 3HD2 LEU 33 28.041 -7.019 -2.993 248 HD22 LEU 33 1HD2 LEU 33 27.143 -6.284 -4.321 249 HD23 LEU 33 2HD2 LEU 33 26.647 -7.852 -3.683 250 H TYR 34 H TYR 34 26.300 -7.978 1.244 251 HA TYR 34 HA TYR 34 28.838 -6.721 1.257 252 HB2 TYR 34 2HB TYR 34 27.336 -6.157 3.010 253 HB3 TYR 34 3HB TYR 34 27.099 -7.845 3.450 254 HD1 TYR 34 HD2 TYR 34 29.388 -4.978 3.649 255 HD2 TYR 34 HD1 TYR 34 28.688 -9.001 4.846 256 HE1 TYR 34 HE2 TYR 34 31.172 -4.783 5.330 257 HE2 TYR 34 HE1 TYR 34 30.470 -8.816 6.531 258 HH TYR 34 HH TYR 34 32.187 -7.558 7.265 259 H ASP 35 H ASP 35 27.776 -10.022 1.724 260 HA ASP 35 HA ASP 35 30.257 -10.984 2.765 261 HB2 ASP 35 2HB ASP 35 27.648 -12.027 2.322 262 HB3 ASP 35 3HB ASP 35 28.790 -13.081 1.492 263 H ILE 36 H ILE 36 28.955 -10.455 -0.409 264 HA ILE 36 HA ILE 36 31.148 -11.942 -1.655 265 HB ILE 36 HB ILE 36 28.979 -12.376 -2.614 266 HG12 ILE 36 2HG1 ILE 36 31.192 -11.757 -4.043 267 HG13 ILE 36 3HG1 ILE 36 29.700 -12.347 -4.767 268 HG21 ILE 36 1HG2 ILE 36 27.731 -10.530 -3.758 269 HG22 ILE 36 2HG2 ILE 36 27.759 -10.426 -1.998 270 HG23 ILE 36 3HG2 ILE 36 28.814 -9.390 -2.959 271 HD11 ILE 36 3HD1 ILE 36 30.796 -10.316 -5.822 272 HD12 ILE 36 1HD1 ILE 36 29.071 -10.210 -5.473 273 HD13 ILE 36 2HD1 ILE 36 30.236 -9.422 -4.409 274 H ILE 37 H ILE 37 30.270 -8.776 -0.777 275 HA ILE 37 HA ILE 37 31.467 -7.244 -2.789 276 HB ILE 37 HB ILE 37 30.019 -6.429 -0.852 277 HG12 ILE 37 2HG1 ILE 37 31.287 -4.220 -0.750 278 HG13 ILE 37 3HG1 ILE 37 32.535 -5.002 -1.715 279 HG21 ILE 37 1HG2 ILE 37 32.032 -7.460 0.690 280 HG22 ILE 37 2HG2 ILE 37 32.380 -5.732 0.715 281 HG23 ILE 37 3HG2 ILE 37 30.803 -6.322 1.240 282 HD11 ILE 37 3HD1 ILE 37 29.732 -4.297 -2.476 283 HD12 ILE 37 1HD1 ILE 37 31.246 -3.876 -3.275 284 HD13 ILE 37 2HD1 ILE 37 30.635 -5.529 -3.358 285 H ASP 38 H ASP 38 32.869 -9.284 -0.450 286 HA ASP 38 HA ASP 38 35.441 -7.939 -0.443 287 HB2 ASP 38 2HB ASP 38 34.493 -9.128 1.573 288 HB3 ASP 38 3HB ASP 38 34.766 -10.644 0.719 289 H GLU 39 H GLU 39 35.217 -8.267 -2.946 290 HA GLU 39 HA GLU 39 37.010 -10.458 -3.611 291 HB2 GLU 39 2HB GLU 39 35.630 -11.183 -5.523 292 HB3 GLU 39 3HB GLU 39 34.833 -11.465 -3.982 293 HG2 GLU 39 2HG GLU 39 33.069 -10.526 -4.976 294 HG3 GLU 39 3HG GLU 39 33.885 -9.008 -4.607 295 H ASN 40 H ASN 40 37.165 -10.278 -6.276 296 HA ASN 40 HA ASN 40 37.286 -7.509 -7.112 297 HB2 ASN 40 2HB ASN 40 39.417 -7.950 -5.826 298 HB3 ASN 40 3HB ASN 40 39.838 -9.125 -7.068 299 HD21 ASN 40 1HD2 ASN 40 41.625 -8.035 -7.783 300 HD22 ASN 40 2HD2 ASN 40 41.536 -6.534 -8.635 301 H ASP 41 H ASP 41 36.055 -10.128 -7.886 302 HA ASP 41 HA ASP 41 37.162 -10.374 -10.603 303 HB2 ASP 41 2HB ASP 41 35.291 -12.338 -9.285 304 HB3 ASP 41 3HB ASP 41 36.310 -12.587 -10.700 305 H THR 42 H THR 42 35.944 -9.872 -12.328 306 HA THR 42 HA THR 42 33.513 -8.434 -11.948 307 HB THR 42 HB THR 42 33.428 -8.400 -14.459 308 HG1 THR 42 HG1 THR 42 34.483 -10.194 -15.120 309 HG21 THR 42 3HG2 THR 42 36.200 -7.612 -13.756 310 HG22 THR 42 1HG2 THR 42 34.895 -6.899 -12.807 311 HG23 THR 42 2HG2 THR 42 34.930 -6.689 -14.558 312 H ASP 43 H ASP 43 34.318 -11.679 -13.045 313 HA ASP 43 HA ASP 43 31.788 -12.405 -14.032 314 HB2 ASP 43 2HB ASP 43 34.124 -13.616 -14.147 315 HB3 ASP 43 3HB ASP 43 33.545 -14.422 -12.692 316 H VAL 44 H VAL 44 33.217 -12.691 -10.804 317 HA VAL 44 HA VAL 44 31.033 -14.061 -9.630 318 HB VAL 44 HB VAL 44 33.204 -12.376 -8.381 319 HG11 VAL 44 1HG1 VAL 44 31.064 -14.060 -7.097 320 HG12 VAL 44 2HG1 VAL 44 32.534 -13.553 -6.263 321 HG13 VAL 44 3HG1 VAL 44 31.388 -12.345 -6.846 322 HG21 VAL 44 3HG2 VAL 44 34.385 -14.186 -9.025 323 HG22 VAL 44 1HG2 VAL 44 33.653 -14.923 -7.600 324 HG23 VAL 44 2HG2 VAL 44 32.948 -15.195 -9.194 325 H MET 45 H MET 45 31.878 -10.639 -9.897 326 HA MET 45 HA MET 45 29.757 -9.695 -8.258 327 HB2 MET 45 2HB MET 45 31.770 -8.502 -10.069 328 HB3 MET 45 3HB MET 45 30.304 -7.562 -9.825 329 HG2 MET 45 2HG MET 45 30.866 -8.181 -7.280 330 HG3 MET 45 3HG MET 45 32.493 -8.186 -7.956 331 HE1 MET 45 3HE MET 45 29.648 -4.587 -7.672 332 HE2 MET 45 1HE MET 45 29.286 -5.898 -8.796 333 HE3 MET 45 2HE MET 45 29.348 -6.215 -7.062 334 H MET 46 H MET 46 30.156 -10.034 -11.768 335 HA MET 46 HA MET 46 27.617 -8.951 -12.429 336 HB2 MET 46 2HB MET 46 28.064 -9.629 -14.650 337 HB3 MET 46 3HB MET 46 29.625 -9.196 -13.965 338 HG2 MET 46 2HG MET 46 30.126 -11.550 -13.592 339 HG3 MET 46 3HG MET 46 28.554 -11.993 -14.254 340 HE1 MET 46 3HE MET 46 30.723 -9.044 -15.627 341 HE2 MET 46 1HE MET 46 31.957 -10.171 -15.064 342 HE3 MET 46 2HE MET 46 31.766 -9.864 -16.790 343 H ASP 47 H ASP 47 28.786 -12.207 -11.780 344 HA ASP 47 HA ASP 47 26.446 -13.573 -12.602 345 HB2 ASP 47 2HB ASP 47 28.430 -14.861 -12.415 346 HB3 ASP 47 3HB ASP 47 28.718 -14.315 -10.765 347 H PHE 48 H PHE 48 27.529 -12.306 -9.482 348 HA PHE 48 HA PHE 48 25.297 -13.312 -8.021 349 HB2 PHE 48 2HB PHE 48 27.259 -12.869 -6.764 350 HB3 PHE 48 3HB PHE 48 27.400 -11.240 -7.415 351 HD1 PHE 48 HD1 PHE 48 25.621 -13.385 -5.036 352 HD2 PHE 48 HD2 PHE 48 26.125 -9.424 -6.508 353 HE1 PHE 48 HE1 PHE 48 24.390 -12.510 -3.094 354 HE2 PHE 48 HE2 PHE 48 24.896 -8.542 -4.568 355 HZ PHE 48 HZ PHE 48 24.027 -10.086 -2.857 356 H ILE 49 H ILE 49 26.129 -10.131 -9.357 357 HA ILE 49 HA ILE 49 23.850 -8.765 -8.443 358 HB ILE 49 HB ILE 49 25.940 -8.266 -10.467 359 HG12 ILE 49 2HG1 ILE 49 25.589 -5.924 -9.335 360 HG13 ILE 49 3HG1 ILE 49 24.656 -6.846 -8.160 361 HG21 ILE 49 1HG2 ILE 49 23.203 -7.038 -10.654 362 HG22 ILE 49 2HG2 ILE 49 24.642 -6.260 -11.312 363 HG23 ILE 49 3HG2 ILE 49 24.134 -7.835 -11.922 364 HD11 ILE 49 3HD1 ILE 49 26.742 -6.803 -7.203 365 HD12 ILE 49 1HD1 ILE 49 26.771 -8.345 -8.058 366 HD13 ILE 49 2HD1 ILE 49 27.574 -6.936 -8.752 367 H SER 50 H SER 50 24.505 -10.341 -11.565 368 HA SER 50 HA SER 50 22.011 -9.760 -12.734 369 HB2 SER 50 2HB SER 50 24.077 -10.537 -13.950 370 HB3 SER 50 3HB SER 50 23.750 -12.159 -13.341 371 HG SER 50 HG SER 50 22.444 -10.696 -15.303 372 H ARG 51 H ARG 51 23.132 -12.456 -10.761 373 HA ARG 51 HA ARG 51 20.764 -14.016 -11.073 374 HB2 ARG 51 2HB ARG 51 23.128 -14.114 -9.227 375 HB3 ARG 51 3HB ARG 51 21.729 -15.138 -8.929 376 HG2 ARG 51 2HG ARG 51 21.988 -16.193 -11.082 377 HG3 ARG 51 3HG ARG 51 23.312 -15.099 -11.489 378 HD2 ARG 51 2HD ARG 51 24.159 -17.272 -10.784 379 HD3 ARG 51 3HD ARG 51 24.634 -16.010 -9.648 380 HE ARG 51 HE ARG 51 22.218 -17.314 -8.866 381 HH11 ARG 51 1HH1 ARG 51 25.689 -17.590 -8.866 382 HH12 ARG 51 2HH1 ARG 51 25.738 -18.619 -7.473 383 HH21 ARG 51 1HH2 ARG 51 22.269 -18.668 -7.030 384 HH22 ARG 51 2HH2 ARG 51 23.792 -19.232 -6.430 385 H PHE 52 H PHE 52 21.775 -11.476 -8.916 386 HA PHE 52 HA PHE 52 19.529 -11.920 -7.118 387 HB2 PHE 52 2HB PHE 52 22.012 -10.310 -7.064 388 HB3 PHE 52 3HB PHE 52 20.622 -9.607 -6.242 389 HD1 PHE 52 HD1 PHE 52 21.463 -13.201 -6.522 390 HD2 PHE 52 HD2 PHE 52 21.273 -9.776 -4.002 391 HE1 PHE 52 HE1 PHE 52 21.908 -14.622 -4.564 392 HE2 PHE 52 HE2 PHE 52 21.718 -11.192 -2.039 393 HZ PHE 52 HZ PHE 52 22.035 -13.618 -2.318 394 H ALA 53 H ALA 53 20.200 -10.212 -9.955 395 HA ALA 53 HA ALA 53 17.952 -8.369 -9.467 396 HB1 ALA 53 1HB ALA 53 20.390 -8.076 -11.200 397 HB2 ALA 53 2HB ALA 53 18.969 -7.046 -11.379 398 HB3 ALA 53 3HB ALA 53 19.866 -7.055 -9.860 399 H ARG 54 H ARG 54 16.767 -7.763 -11.526 400 HA ARG 54 HA ARG 54 16.744 -9.716 -13.641 401 HB2 ARG 54 2HB ARG 54 14.567 -10.607 -13.288 402 HB3 ARG 54 3HB ARG 54 15.434 -10.785 -11.769 403 HG2 ARG 54 2HG ARG 54 14.320 -8.669 -11.003 404 HG3 ARG 54 3HG ARG 54 13.317 -8.765 -12.452 405 HD2 ARG 54 2HD ARG 54 13.508 -10.822 -10.255 406 HD3 ARG 54 3HD ARG 54 12.154 -9.734 -10.558 407 HE ARG 54 HE ARG 54 12.794 -11.388 -12.810 408 HH11 ARG 54 1HH1 ARG 54 11.063 -11.239 -9.793 409 HH12 ARG 54 2HH1 ARG 54 9.911 -12.453 -10.244 410 HH21 ARG 54 1HH2 ARG 54 11.284 -12.986 -13.415 411 HH22 ARG 54 2HH2 ARG 54 10.038 -13.446 -12.305 412 H THR 55 H THR 55 16.990 -6.792 -13.200 413 HA THR 55 HA THR 55 16.241 -4.807 -14.053 414 HB THR 55 HB THR 55 15.544 -4.860 -16.397 415 HG1 THR 55 HG1 THR 55 15.458 -7.113 -17.314 416 HG21 THR 55 3HG2 THR 55 17.677 -5.195 -16.943 417 HG22 THR 55 1HG2 THR 55 17.498 -6.935 -16.719 418 HG23 THR 55 2HG2 THR 55 17.939 -5.911 -15.352 419 H ASP 56 H ASP 56 14.649 -4.307 -12.527 420 HA ASP 56 HA ASP 56 11.907 -4.573 -13.542 421 HB2 ASP 56 2HB ASP 56 12.971 -5.494 -10.929 422 HB3 ASP 56 3HB ASP 56 11.412 -4.675 -10.899 423 H GLU 57 H GLU 57 10.462 -2.916 -12.861 424 HA GLU 57 HA GLU 57 11.816 -0.520 -11.806 425 HB2 GLU 57 2HB GLU 57 10.458 0.856 -13.251 426 HB3 GLU 57 3HB GLU 57 11.283 -0.353 -14.225 427 HG2 GLU 57 2HG GLU 57 9.090 -1.707 -13.935 428 HG3 GLU 57 3HG GLU 57 8.392 -0.142 -13.525 429 H ILE 58 H ILE 58 9.662 1.134 -11.507 430 HA ILE 58 HA ILE 58 8.112 -0.254 -9.423 431 HB ILE 58 HB ILE 58 7.701 2.326 -8.815 432 HG12 ILE 58 2HG1 ILE 58 9.909 3.500 -9.042 433 HG13 ILE 58 3HG1 ILE 58 10.425 2.211 -10.124 434 HG21 ILE 58 1HG2 ILE 58 10.198 0.858 -7.989 435 HG22 ILE 58 2HG2 ILE 58 9.302 2.060 -7.062 436 HG23 ILE 58 3HG2 ILE 58 8.586 0.481 -7.383 437 HD11 ILE 58 3HD1 ILE 58 7.902 3.646 -10.745 438 HD12 ILE 58 1HD1 ILE 58 9.436 4.466 -11.036 439 HD13 ILE 58 2HD1 ILE 58 9.094 2.927 -11.828 440 H MET 59 H MET 59 5.954 -0.342 -9.560 441 HA MET 59 HA MET 59 4.659 0.582 -11.945 442 HB2 MET 59 2HB MET 59 4.038 -1.202 -9.724 443 HB3 MET 59 3HB MET 59 2.655 -0.232 -10.212 444 HG2 MET 59 2HG MET 59 3.329 -0.997 -12.611 445 HG3 MET 59 3HG MET 59 4.168 -2.285 -11.749 446 HE1 MET 59 3HE MET 59 1.161 -4.394 -12.800 447 HE2 MET 59 1HE MET 59 2.281 -3.368 -13.697 448 HE3 MET 59 2HE MET 59 2.882 -4.414 -12.411 449 HA PRO 60 HA PRO 60 2.906 4.388 -10.650 450 HB2 PRO 60 2HB PRO 60 0.352 4.246 -11.559 451 HB3 PRO 60 3HB PRO 60 1.743 4.443 -12.631 452 HG2 PRO 60 2HG PRO 60 0.211 1.962 -11.952 453 HG3 PRO 60 3HG PRO 60 0.810 2.511 -13.528 454 HD2 PRO 60 2HD PRO 60 2.087 0.628 -12.059 455 HD3 PRO 60 3HD PRO 60 2.951 1.764 -13.115 456 H GLU 61 H GLU 61 1.425 1.452 -9.568 457 HA GLU 61 HA GLU 61 -0.322 2.781 -7.673 458 HB2 GLU 61 2HB GLU 61 -1.187 0.651 -7.167 459 HB3 GLU 61 3HB GLU 61 -0.863 0.605 -8.894 460 HG2 GLU 61 2HG GLU 61 1.348 -0.478 -8.311 461 HG3 GLU 61 3HG GLU 61 0.711 -0.665 -6.678 462 H ASP 62 H ASP 62 2.880 1.606 -7.783 463 HA ASP 62 HA ASP 62 3.063 1.729 -4.844 464 HB2 ASP 62 2HB ASP 62 5.163 0.378 -6.489 465 HB3 ASP 62 3HB ASP 62 4.657 0.052 -4.833 466 H LYS 63 H LYS 63 5.838 1.850 -4.654 467 HA LYS 63 HA LYS 63 6.716 4.159 -6.189 468 HB2 LYS 63 2HB LYS 63 7.404 4.864 -3.572 469 HB3 LYS 63 3HB LYS 63 6.215 5.650 -4.603 470 HG2 LYS 63 2HG LYS 63 4.444 4.347 -3.681 471 HG3 LYS 63 3HG LYS 63 5.583 3.326 -2.800 472 HD2 LYS 63 2HD LYS 63 5.538 4.727 -1.075 473 HD3 LYS 63 3HD LYS 63 6.068 6.053 -2.113 474 HE2 LYS 63 2HE LYS 63 3.775 6.526 -2.730 475 HE3 LYS 63 3HE LYS 63 3.210 5.139 -1.800 476 HZ1 LYS 63 3HZ LYS 63 2.872 7.104 -0.519 477 HZ2 LYS 63 1HZ LYS 63 4.473 7.604 -0.735 478 HZ3 LYS 63 2HZ LYS 63 4.134 6.237 0.201 479 H THR 64 H THR 64 8.987 4.852 -5.116 480 HA THR 64 HA THR 64 10.497 2.348 -4.739 481 HB THR 64 HB THR 64 10.906 4.557 -6.615 482 HG1 THR 64 HG1 THR 64 11.702 1.853 -6.336 483 HG21 THR 64 3HG2 THR 64 12.643 5.265 -5.140 484 HG22 THR 64 1HG2 THR 64 13.412 4.381 -6.458 485 HG23 THR 64 2HG2 THR 64 13.190 3.607 -4.889 486 H VAL 65 H VAL 65 11.604 2.189 -2.904 487 HA VAL 65 HA VAL 65 11.515 3.998 -0.830 488 HB VAL 65 HB VAL 65 13.914 2.230 -1.168 489 HG11 VAL 65 1HG1 VAL 65 13.357 1.843 1.295 490 HG12 VAL 65 2HG1 VAL 65 13.975 3.433 0.844 491 HG13 VAL 65 3HG1 VAL 65 12.249 3.205 1.133 492 HG21 VAL 65 3HG2 VAL 65 12.637 0.439 -1.504 493 HG22 VAL 65 1HG2 VAL 65 11.935 0.709 0.091 494 HG23 VAL 65 2HG2 VAL 65 11.163 1.394 -1.339 495 H GLY 66 H GLY 66 14.100 3.582 -3.236 496 HA2 GLY 66 2HA GLY 66 14.800 6.133 -3.706 497 HA3 GLY 66 3HA GLY 66 15.577 5.834 -2.158 498 H PHE 67 H PHE 67 17.506 6.363 -3.508 499 HA PHE 67 HA PHE 67 18.526 3.907 -4.772 500 HB2 PHE 67 2HB PHE 67 19.307 6.692 -5.631 501 HB3 PHE 67 3HB PHE 67 19.665 5.172 -6.444 502 HD1 PHE 67 HD2 PHE 67 17.109 3.820 -6.515 503 HD2 PHE 67 HD1 PHE 67 18.008 7.944 -7.062 504 HE1 PHE 67 HE2 PHE 67 15.083 4.076 -7.888 505 HE2 PHE 67 HE1 PHE 67 15.984 8.207 -8.435 506 HZ PHE 67 HZ PHE 67 14.517 6.272 -8.849 507 H VAL 68 H VAL 68 20.546 3.262 -4.203 508 HA VAL 68 HA VAL 68 21.973 4.951 -2.251 509 HB VAL 68 HB VAL 68 21.820 1.938 -2.388 510 HG11 VAL 68 1HG1 VAL 68 23.787 3.721 -1.169 511 HG12 VAL 68 2HG1 VAL 68 23.088 2.555 -0.043 512 HG13 VAL 68 3HG1 VAL 68 23.881 1.995 -1.516 513 HG21 VAL 68 3HG2 VAL 68 20.471 4.011 -0.800 514 HG22 VAL 68 1HG2 VAL 68 19.963 2.368 -1.193 515 HG23 VAL 68 2HG2 VAL 68 21.099 2.648 0.127 516 H VAL 69 H VAL 69 24.034 5.462 -2.669 517 HA VAL 69 HA VAL 69 25.324 4.164 -4.980 518 HB VAL 69 HB VAL 69 25.771 6.945 -3.887 519 HG11 VAL 69 1HG1 VAL 69 27.827 6.494 -4.765 520 HG12 VAL 69 2HG1 VAL 69 27.201 5.306 -5.911 521 HG13 VAL 69 3HG1 VAL 69 27.000 7.030 -6.227 522 HG21 VAL 69 3HG2 VAL 69 23.943 7.410 -5.093 523 HG22 VAL 69 1HG2 VAL 69 24.977 7.175 -6.502 524 HG23 VAL 69 2HG2 VAL 69 23.976 5.848 -5.911 525 H VAL 70 H VAL 70 26.990 2.900 -4.521 526 HA VAL 70 HA VAL 70 28.619 3.516 -2.143 527 HB VAL 70 HB VAL 70 28.105 0.723 -3.155 528 HG11 VAL 70 1HG1 VAL 70 30.137 1.475 -1.668 529 HG12 VAL 70 2HG1 VAL 70 28.934 1.415 -0.379 530 HG13 VAL 70 3HG1 VAL 70 29.278 -0.028 -1.333 531 HG21 VAL 70 3HG2 VAL 70 25.982 1.256 -2.438 532 HG22 VAL 70 1HG2 VAL 70 26.707 0.658 -0.946 533 HG23 VAL 70 2HG2 VAL 70 26.561 2.394 -1.222 534 H ASN 71 H ASN 71 30.609 4.068 -2.711 535 HA ASN 71 HA ASN 71 31.796 2.798 -5.092 536 HB2 ASN 71 2HB ASN 71 32.452 5.548 -4.018 537 HB3 ASN 71 3HB ASN 71 33.028 4.830 -5.519 538 HD21 ASN 71 1HD2 ASN 71 30.764 6.833 -4.144 539 HD22 ASN 71 2HD2 ASN 71 29.631 6.896 -5.446 540 H ALA 72 H ALA 72 33.215 1.320 -4.441 541 HA ALA 72 HA ALA 72 34.507 1.374 -1.907 542 HB1 ALA 72 1HB ALA 72 35.617 -0.628 -2.604 543 HB2 ALA 72 2HB ALA 72 33.950 -0.696 -3.179 544 HB3 ALA 72 3HB ALA 72 35.254 -0.299 -4.299 545 H ASP 73 H ASP 73 35.435 2.335 -5.154 546 HA ASP 73 HA ASP 73 38.190 2.607 -4.789 547 HB2 ASP 73 2HB ASP 73 37.561 2.813 -7.004 548 HB3 ASP 73 3HB ASP 73 36.188 3.851 -6.627 549 H LYS 74 H LYS 74 35.542 4.811 -4.043 550 HA LYS 74 HA LYS 74 37.425 6.801 -3.025 551 HB2 LYS 74 2HB LYS 74 34.459 6.834 -3.545 552 HB3 LYS 74 3HB LYS 74 35.255 8.113 -2.637 553 HG2 LYS 74 2HG LYS 74 35.975 7.303 -5.446 554 HG3 LYS 74 3HG LYS 74 34.926 8.657 -5.021 555 HD2 LYS 74 2HD LYS 74 36.907 9.463 -3.586 556 HD3 LYS 74 3HD LYS 74 37.868 8.325 -4.533 557 HE2 LYS 74 2HE LYS 74 37.567 9.504 -6.497 558 HE3 LYS 74 3HE LYS 74 36.087 10.275 -5.928 559 HZ1 LYS 74 3HZ LYS 74 37.344 11.700 -4.516 560 HZ2 LYS 74 1HZ LYS 74 38.036 11.778 -6.058 561 HZ3 LYS 74 2HZ LYS 74 38.782 10.871 -4.840 562 H LYS 75 H LYS 75 35.614 4.183 -1.921 563 HA LYS 75 HA LYS 75 35.218 3.327 0.149 564 HB2 LYS 75 2HB LYS 75 36.979 5.539 1.208 565 HB3 LYS 75 3HB LYS 75 36.616 4.003 1.983 566 HG2 LYS 75 2HG LYS 75 37.766 2.879 0.049 567 HG3 LYS 75 3HG LYS 75 38.304 4.482 -0.458 568 HD2 LYS 75 2HD LYS 75 39.338 4.768 1.794 569 HD3 LYS 75 3HD LYS 75 38.923 3.089 2.145 570 HE2 LYS 75 2HE LYS 75 41.090 2.869 1.404 571 HE3 LYS 75 3HE LYS 75 40.191 2.617 -0.091 572 HZ1 LYS 75 3HZ LYS 75 41.223 5.275 0.703 573 HZ2 LYS 75 1HZ LYS 75 40.684 4.776 -0.821 574 HZ3 LYS 75 2HZ LYS 75 42.143 4.184 -0.204 575 H LEU 76 H LEU 76 33.415 5.240 -0.931 576 HA LEU 76 HA LEU 76 32.195 6.174 1.560 577 HB2 LEU 76 2HB LEU 76 31.451 8.212 0.061 578 HB3 LEU 76 3HB LEU 76 32.958 8.230 0.975 579 HG LEU 76 HG LEU 76 34.127 7.511 -1.131 580 HD11 LEU 76 1HD1 LEU 76 32.847 8.073 -3.240 581 HD12 LEU 76 2HD1 LEU 76 31.385 8.012 -2.256 582 HD13 LEU 76 3HD1 LEU 76 32.394 6.576 -2.425 583 HD21 LEU 76 3HD2 LEU 76 34.388 9.759 -0.552 584 HD22 LEU 76 1HD2 LEU 76 32.700 10.140 -0.895 585 HD23 LEU 76 2HD2 LEU 76 33.817 9.811 -2.220 586 H MET 77 H MET 77 29.945 6.226 1.549 587 HA MET 77 HA MET 77 28.548 5.479 -0.898 588 HB2 MET 77 2HB MET 77 27.426 3.590 0.102 589 HB3 MET 77 3HB MET 77 29.164 3.350 0.223 590 HG2 MET 77 2HG MET 77 29.013 4.237 2.569 591 HG3 MET 77 3HG MET 77 27.261 4.156 2.401 592 HE1 MET 77 3HE MET 77 29.949 0.586 1.663 593 HE2 MET 77 1HE MET 77 30.321 2.295 1.431 594 HE3 MET 77 2HE MET 77 30.526 1.556 3.019 595 H SER 78 H SER 78 26.632 6.474 -1.068 596 HA SER 78 HA SER 78 25.502 7.703 1.361 597 HB2 SER 78 2HB SER 78 25.767 9.683 0.341 598 HB3 SER 78 3HB SER 78 26.289 8.901 -1.151 599 HG SER 78 HG SER 78 23.720 9.704 -0.358 600 H VAL 79 H VAL 79 23.360 7.455 1.743 601 HA VAL 79 HA VAL 79 21.831 5.886 -0.230 602 HB VAL 79 HB VAL 79 21.558 5.880 2.779 603 HG11 VAL 79 1HG1 VAL 79 19.679 5.221 0.744 604 HG12 VAL 79 2HG1 VAL 79 20.168 3.736 1.563 605 HG13 VAL 79 3HG1 VAL 79 19.508 5.082 2.494 606 HG21 VAL 79 3HG2 VAL 79 22.052 3.303 1.811 607 HG22 VAL 79 1HG2 VAL 79 23.188 4.354 0.964 608 HG23 VAL 79 2HG2 VAL 79 23.154 4.331 2.727 609 H SER 80 H SER 80 20.235 6.972 -1.155 610 HA SER 80 HA SER 80 18.964 9.164 0.350 611 HB2 SER 80 2HB SER 80 20.293 9.744 -1.760 612 HB3 SER 80 3HB SER 80 19.008 8.937 -2.658 613 HG SER 80 HG SER 80 17.759 10.597 -2.334 614 H PHE 81 H PHE 81 16.932 8.817 0.924 615 HA PHE 81 HA PHE 81 15.232 7.148 -0.795 616 HB2 PHE 81 2HB PHE 81 14.183 6.431 1.517 617 HB3 PHE 81 3HB PHE 81 15.589 5.592 0.869 618 HD1 PHE 81 HD2 PHE 81 14.757 8.505 3.044 619 HD2 PHE 81 HD1 PHE 81 17.388 5.253 2.255 620 HE1 PHE 81 HE2 PHE 81 16.004 9.019 5.102 621 HE2 PHE 81 HE1 PHE 81 18.638 5.761 4.312 622 HZ PHE 81 HZ PHE 81 17.946 7.645 5.739 623 H SER 82 H SER 82 13.067 7.716 -0.881 624 HA SER 82 HA SER 82 12.386 10.269 0.427 625 HB2 SER 82 2HB SER 82 10.902 10.700 -1.522 626 HB3 SER 82 3HB SER 82 12.601 10.568 -1.977 627 HG SER 82 HG SER 82 10.711 8.456 -2.148 628 H ASP 83 H ASP 83 10.225 10.569 1.115 629 HA ASP 83 HA ASP 83 8.673 9.610 2.620 630 HB2 ASP 83 2HB ASP 83 7.745 10.389 0.289 631 HB3 ASP 83 3HB ASP 83 7.442 8.670 0.058 632 H ILE 84 H ILE 84 9.980 7.891 3.530 633 HA ILE 84 HA ILE 84 9.187 5.230 2.538 634 HB ILE 84 HB ILE 84 11.244 4.322 3.468 635 HG12 ILE 84 2HG1 ILE 84 12.636 6.841 3.886 636 HG13 ILE 84 3HG1 ILE 84 11.276 6.658 4.988 637 HG21 ILE 84 1HG2 ILE 84 11.100 5.348 1.133 638 HG22 ILE 84 2HG2 ILE 84 12.034 6.687 1.799 639 HG23 ILE 84 3HG2 ILE 84 12.708 5.058 1.794 640 HD11 ILE 84 3HD1 ILE 84 13.821 5.193 4.855 641 HD12 ILE 84 1HD1 ILE 84 12.813 5.607 6.242 642 HD13 ILE 84 2HD1 ILE 84 12.390 4.230 5.224 643 H ASP 85 H ASP 85 9.433 3.540 4.378 644 HA ASP 85 HA ASP 85 7.890 4.557 6.648 645 HB2 ASP 85 2HB ASP 85 8.299 1.812 5.482 646 HB3 ASP 85 3HB ASP 85 7.611 2.031 7.089 647 H GLU 86 H GLU 86 8.465 4.158 8.791 648 HA GLU 86 HA GLU 86 11.215 4.283 9.378 649 HB2 GLU 86 2HB GLU 86 10.584 4.292 11.675 650 HB3 GLU 86 3HB GLU 86 9.340 5.174 10.801 651 HG2 GLU 86 2HG GLU 86 7.921 3.170 10.835 652 HG3 GLU 86 3HG GLU 86 9.160 2.329 11.765 653 H ASN 87 H ASN 87 8.992 1.620 9.107 654 HA ASN 87 HA ASN 87 10.422 -0.326 10.541 655 HB2 ASN 87 2HB ASN 87 8.622 -0.690 8.135 656 HB3 ASN 87 3HB ASN 87 9.124 -1.966 9.239 657 HD21 ASN 87 1HD2 ASN 87 6.536 -0.398 8.471 658 HD22 ASN 87 2HD2 ASN 87 5.786 -0.151 10.008 659 H MET 88 H MET 88 10.509 0.561 7.103 660 HA MET 88 HA MET 88 12.573 -1.342 6.499 661 HB2 MET 88 2HB MET 88 12.589 -0.280 4.276 662 HB3 MET 88 3HB MET 88 10.963 -0.717 4.786 663 HG2 MET 88 2HG MET 88 10.482 1.573 5.363 664 HG3 MET 88 3HG MET 88 12.139 2.044 4.993 665 HE1 MET 88 3HE MET 88 9.309 0.375 1.763 666 HE2 MET 88 1HE MET 88 10.457 -0.645 2.630 667 HE3 MET 88 2HE MET 88 9.125 0.118 3.499 668 H LYS 89 H LYS 89 12.409 2.056 7.319 669 HA LYS 89 HA LYS 89 14.865 2.986 6.504 670 HB2 LYS 89 2HB LYS 89 12.960 4.203 7.748 671 HB3 LYS 89 3HB LYS 89 13.759 3.665 9.219 672 HG2 LYS 89 2HG LYS 89 15.861 4.764 8.243 673 HG3 LYS 89 3HG LYS 89 14.750 5.571 7.134 674 HD2 LYS 89 2HD LYS 89 14.054 5.640 10.011 675 HD3 LYS 89 3HD LYS 89 15.446 6.600 9.504 676 HE2 LYS 89 2HE LYS 89 13.997 7.612 7.736 677 HE3 LYS 89 3HE LYS 89 12.625 6.768 8.453 678 HZ1 LYS 89 3HZ LYS 89 13.538 9.240 9.155 679 HZ2 LYS 89 1HZ LYS 89 14.122 8.242 10.390 680 HZ3 LYS 89 2HZ LYS 89 12.466 8.285 10.050 681 H LYS 90 H LYS 90 14.099 1.020 9.328 682 HA LYS 90 HA LYS 90 16.567 1.155 10.633 683 HB2 LYS 90 2HB LYS 90 15.877 -0.748 11.868 684 HB3 LYS 90 3HB LYS 90 14.410 0.152 11.505 685 HG2 LYS 90 2HG LYS 90 13.656 -1.891 10.936 686 HG3 LYS 90 3HG LYS 90 14.435 -1.500 9.401 687 HD2 LYS 90 2HD LYS 90 15.119 -3.703 10.021 688 HD3 LYS 90 3HD LYS 90 16.499 -2.629 10.260 689 HE2 LYS 90 2HE LYS 90 14.771 -2.909 12.607 690 HE3 LYS 90 3HE LYS 90 15.545 -4.410 12.100 691 HZ1 LYS 90 3HZ LYS 90 17.611 -2.770 11.977 692 HZ2 LYS 90 1HZ LYS 90 17.191 -3.600 13.390 693 HZ3 LYS 90 2HZ LYS 90 16.732 -1.985 13.190 694 H VAL 91 H VAL 91 15.462 -0.895 7.990 695 HA VAL 91 HA VAL 91 17.777 -2.566 7.958 696 HB VAL 91 HB VAL 91 16.788 -3.699 6.260 697 HG11 VAL 91 1HG1 VAL 91 15.073 -3.211 8.074 698 HG12 VAL 91 2HG1 VAL 91 14.359 -2.065 6.937 699 HG13 VAL 91 3HG1 VAL 91 14.453 -3.777 6.523 700 HG21 VAL 91 3HG2 VAL 91 15.896 -1.035 5.175 701 HG22 VAL 91 1HG2 VAL 91 17.130 -2.113 4.523 702 HG23 VAL 91 2HG2 VAL 91 15.430 -2.579 4.460 703 H ILE 92 H ILE 92 16.809 0.374 6.279 704 HA ILE 92 HA ILE 92 18.933 0.401 4.405 705 HB ILE 92 HB ILE 92 17.578 2.877 5.441 706 HG12 ILE 92 2HG1 ILE 92 16.490 0.767 3.580 707 HG13 ILE 92 3HG1 ILE 92 15.746 1.413 5.039 708 HG21 ILE 92 1HG2 ILE 92 19.529 2.598 3.606 709 HG22 ILE 92 2HG2 ILE 92 18.107 2.447 2.575 710 HG23 ILE 92 3HG2 ILE 92 18.327 3.888 3.568 711 HD11 ILE 92 3HD1 ILE 92 16.074 2.757 2.377 712 HD12 ILE 92 1HD1 ILE 92 14.580 2.341 3.218 713 HD13 ILE 92 2HD1 ILE 92 15.617 3.625 3.843 714 H LYS 93 H LYS 93 18.483 2.033 7.531 715 HA LYS 93 HA LYS 93 20.975 3.359 7.536 716 HB2 LYS 93 2HB LYS 93 18.877 3.745 9.013 717 HB3 LYS 93 3HB LYS 93 19.565 2.499 10.046 718 HG2 LYS 93 2HG LYS 93 21.544 3.816 10.404 719 HG3 LYS 93 3HG LYS 93 20.991 5.027 9.246 720 HD2 LYS 93 2HD LYS 93 19.176 5.658 10.665 721 HD3 LYS 93 3HD LYS 93 19.481 4.301 11.752 722 HE2 LYS 93 2HE LYS 93 21.571 6.392 11.248 723 HE3 LYS 93 3HE LYS 93 20.300 6.645 12.442 724 HZ1 LYS 93 3HZ LYS 93 21.006 4.555 13.510 725 HZ2 LYS 93 1HZ LYS 93 22.219 5.734 13.513 726 HZ3 LYS 93 2HZ LYS 93 22.294 4.447 12.419 727 H ALA 94 H ALA 94 19.929 0.243 8.850 728 HA ALA 94 HA ALA 94 22.376 -0.387 10.128 729 HB1 ALA 94 1HB ALA 94 20.366 -1.515 10.790 730 HB2 ALA 94 2HB ALA 94 20.138 -2.159 9.164 731 HB3 ALA 94 3HB ALA 94 21.493 -2.711 10.148 732 H THR 95 H THR 95 21.188 -0.801 6.864 733 HA THR 95 HA THR 95 23.167 -2.651 6.007 734 HB THR 95 HB THR 95 21.364 -0.774 4.482 735 HG1 THR 95 HG1 THR 95 20.058 -2.416 4.692 736 HG21 THR 95 3HG2 THR 95 22.780 -0.985 2.757 737 HG22 THR 95 1HG2 THR 95 22.236 -2.660 2.676 738 HG23 THR 95 2HG2 THR 95 23.706 -2.252 3.561 739 H ALA 96 H ALA 96 22.862 0.877 5.711 740 HA ALA 96 HA ALA 96 25.293 1.251 4.308 741 HB1 ALA 96 1HB ALA 96 24.854 3.497 4.416 742 HB2 ALA 96 2HB ALA 96 23.236 2.842 4.672 743 HB3 ALA 96 3HB ALA 96 24.189 3.401 6.047 744 H GLU 97 H GLU 97 24.445 1.536 7.747 745 HA GLU 97 HA GLU 97 27.019 2.326 8.611 746 HB2 GLU 97 2HB GLU 97 26.219 2.049 10.809 747 HB3 GLU 97 3HB GLU 97 24.812 2.533 9.873 748 HG2 GLU 97 2HG GLU 97 23.926 0.827 11.091 749 HG3 GLU 97 3HG GLU 97 24.453 -0.053 9.658 750 H LYS 98 H LYS 98 25.524 -0.787 8.055 751 HA LYS 98 HA LYS 98 27.275 -2.447 9.445 752 HB2 LYS 98 2HB LYS 98 25.294 -3.396 8.536 753 HB3 LYS 98 3HB LYS 98 25.703 -2.872 6.908 754 HG2 LYS 98 2HG LYS 98 26.024 -5.266 7.172 755 HG3 LYS 98 3HG LYS 98 27.557 -4.452 6.852 756 HD2 LYS 98 2HD LYS 98 28.095 -4.517 9.234 757 HD3 LYS 98 3HD LYS 98 26.552 -5.306 9.568 758 HE2 LYS 98 2HE LYS 98 28.774 -6.416 7.855 759 HE3 LYS 98 3HE LYS 98 28.395 -6.916 9.503 760 HZ1 LYS 98 3HZ LYS 98 26.876 -7.398 7.027 761 HZ2 LYS 98 1HZ LYS 98 26.076 -7.393 8.518 762 HZ3 LYS 98 2HZ LYS 98 27.328 -8.494 8.233 763 H PHE 99 H PHE 99 27.570 -0.988 6.250 764 HA PHE 99 HA PHE 99 29.845 -2.396 5.390 765 HB2 PHE 99 2HB PHE 99 28.520 0.161 4.630 766 HB3 PHE 99 3HB PHE 99 30.166 -0.105 4.067 767 HD1 PHE 99 HD1 PHE 99 30.565 -2.499 3.001 768 HD2 PHE 99 HD2 PHE 99 26.796 -0.542 3.294 769 HE1 PHE 99 HE1 PHE 99 29.710 -3.875 1.149 770 HE2 PHE 99 HE2 PHE 99 25.936 -1.915 1.443 771 HZ PHE 99 HZ PHE 99 27.392 -3.585 0.368 772 H LYS 100 H LYS 100 29.457 0.407 7.447 773 HA LYS 100 HA LYS 100 32.098 1.350 7.423 774 HB2 LYS 100 2HB LYS 100 29.752 2.101 8.648 775 HB3 LYS 100 3HB LYS 100 30.733 1.572 10.008 776 HG2 LYS 100 2HG LYS 100 31.501 3.655 7.973 777 HG3 LYS 100 3HG LYS 100 30.979 3.955 9.632 778 HD2 LYS 100 2HD LYS 100 33.419 2.355 8.867 779 HD3 LYS 100 3HD LYS 100 33.443 4.059 9.329 780 HE2 LYS 100 2HE LYS 100 32.038 2.928 11.381 781 HE3 LYS 100 3HE LYS 100 33.191 1.655 10.984 782 HZ1 LYS 100 3HZ LYS 100 34.919 2.873 11.712 783 HZ2 LYS 100 1HZ LYS 100 33.739 3.676 12.620 784 HZ3 LYS 100 2HZ LYS 100 34.281 4.340 11.163 785 H ASN 101 H ASN 101 30.614 -1.338 9.059 786 HA ASN 101 HA ASN 101 32.530 -1.757 11.074 787 HB2 ASN 101 2HB ASN 101 30.769 -3.760 9.643 788 HB3 ASN 101 3HB ASN 101 31.659 -4.080 11.128 789 HD21 ASN 101 1HD2 ASN 101 29.274 -4.605 11.594 790 HD22 ASN 101 2HD2 ASN 101 28.367 -3.334 12.333 791 H LYS 102 H LYS 102 32.724 -2.125 7.702 792 HA LYS 102 HA LYS 102 34.952 -4.018 7.871 793 HB2 LYS 102 2HB LYS 102 32.890 -3.709 6.030 794 HB3 LYS 102 3HB LYS 102 34.298 -3.054 5.204 795 HG2 LYS 102 2HG LYS 102 35.500 -5.181 5.774 796 HG3 LYS 102 3HG LYS 102 33.952 -5.818 6.334 797 HD2 LYS 102 2HD LYS 102 33.542 -6.443 4.236 798 HD3 LYS 102 3HD LYS 102 33.433 -4.733 3.812 799 HE2 LYS 102 2HE LYS 102 35.683 -4.653 3.127 800 HE3 LYS 102 3HE LYS 102 36.061 -6.186 3.913 801 HZ1 LYS 102 3HZ LYS 102 34.148 -6.918 2.187 802 HZ2 LYS 102 1HZ LYS 102 35.806 -7.004 1.859 803 HZ3 LYS 102 2HZ LYS 102 34.903 -5.682 1.313 804 H GLY 103 H GLY 103 34.418 -0.720 7.872 805 HA2 GLY 103 2HA GLY 103 36.223 0.814 8.142 806 HA3 GLY 103 3HA GLY 103 37.226 -0.241 7.156 807 H PHE 104 H PHE 104 34.292 1.764 6.935 808 HA PHE 104 HA PHE 104 35.312 2.989 4.518 809 HB2 PHE 104 2HB PHE 104 32.786 1.331 4.526 810 HB3 PHE 104 3HB PHE 104 33.174 2.502 3.270 811 HD1 PHE 104 HD1 PHE 104 34.983 2.092 1.700 812 HD2 PHE 104 HD2 PHE 104 33.953 -0.764 4.683 813 HE1 PHE 104 HE1 PHE 104 36.278 0.379 0.501 814 HE2 PHE 104 HE2 PHE 104 35.247 -2.483 3.488 815 HZ PHE 104 HZ PHE 104 36.411 -1.912 1.394 816 H LYS 105 H LYS 105 33.423 4.512 3.640 817 HA LYS 105 HA LYS 105 32.416 5.956 6.001 818 HB2 LYS 105 2HB LYS 105 34.073 7.211 4.715 819 HB3 LYS 105 3HB LYS 105 33.118 7.004 3.253 820 HG2 LYS 105 2HG LYS 105 32.675 9.183 3.987 821 HG3 LYS 105 3HG LYS 105 31.262 8.237 4.460 822 HD2 LYS 105 2HD LYS 105 31.957 8.165 6.724 823 HD3 LYS 105 3HD LYS 105 33.567 8.766 6.323 824 HE2 LYS 105 2HE LYS 105 32.222 10.520 7.339 825 HE3 LYS 105 3HE LYS 105 32.594 10.914 5.662 826 HZ1 LYS 105 3HZ LYS 105 30.120 10.928 6.792 827 HZ2 LYS 105 1HZ LYS 105 30.138 9.468 5.936 828 HZ3 LYS 105 2HZ LYS 105 30.448 10.923 5.132 829 H VAL 106 H VAL 106 30.293 5.967 6.292 830 HA VAL 106 HA VAL 106 28.549 5.583 3.946 831 HB VAL 106 HB VAL 106 27.883 3.713 4.986 832 HG11 VAL 106 1HG1 VAL 106 29.771 3.660 6.477 833 HG12 VAL 106 2HG1 VAL 106 29.009 4.840 7.546 834 HG13 VAL 106 3HG1 VAL 106 28.318 3.225 7.378 835 HG21 VAL 106 3HG2 VAL 106 26.066 3.978 6.529 836 HG22 VAL 106 1HG2 VAL 106 26.639 5.577 7.002 837 HG23 VAL 106 2HG2 VAL 106 26.009 5.312 5.377 838 H GLU 107 H GLU 107 26.971 7.037 3.617 839 HA GLU 107 HA GLU 107 26.352 8.934 5.780 840 HB2 GLU 107 2HB GLU 107 27.813 10.114 4.286 841 HB3 GLU 107 3HB GLU 107 26.913 9.560 2.881 842 HG2 GLU 107 2HG GLU 107 26.399 11.866 3.328 843 HG3 GLU 107 3HG GLU 107 24.975 10.869 3.622 844 H THR 108 H THR 108 24.241 9.617 5.927 845 HA THR 108 HA THR 108 22.335 8.309 4.097 846 HB THR 108 HB THR 108 20.749 8.130 5.923 847 HG1 THR 108 HG1 THR 108 21.498 8.711 8.072 848 HG21 THR 108 3HG2 THR 108 21.768 6.389 7.148 849 HG22 THR 108 1HG2 THR 108 23.371 7.106 6.988 850 HG23 THR 108 2HG2 THR 108 22.581 6.391 5.583 851 H ASP 109 H ASP 109 20.857 9.556 3.118 852 HA ASP 109 HA ASP 109 20.242 12.201 4.183 853 HB2 ASP 109 2HB ASP 109 22.167 11.997 2.253 854 HB3 ASP 109 3HB ASP 109 20.718 12.227 1.278 855 H MET 110 H MET 110 18.605 13.271 2.491 856 HA MET 110 HA MET 110 16.544 11.225 2.036 857 HB2 MET 110 2HB MET 110 16.162 14.213 2.257 858 HB3 MET 110 3HB MET 110 14.907 12.982 2.250 859 HG2 MET 110 2HG MET 110 15.995 12.090 4.368 860 HG3 MET 110 3HG MET 110 16.896 13.603 4.403 861 HE1 MET 110 3HE MET 110 14.470 12.635 6.857 862 HE2 MET 110 1HE MET 110 12.905 12.738 6.050 863 HE3 MET 110 2HE MET 110 14.153 11.665 5.417 Start of MODEL 4 1 H1 MET 1 H MET 1 0.427 -0.440 0.201 2 HA MET 1 HA MET 1 1.738 -0.192 -2.031 3 HB2 MET 1 2HB MET 1 2.988 1.750 -1.189 4 HB3 MET 1 3HB MET 1 1.337 1.730 -0.584 5 HG2 MET 1 2HG MET 1 1.999 1.617 1.535 6 HG3 MET 1 3HG MET 1 3.199 0.375 1.186 7 HE1 MET 1 3HE MET 1 5.479 2.781 -0.888 8 HE2 MET 1 1HE MET 1 6.218 1.709 0.303 9 HE3 MET 1 2HE MET 1 4.878 1.134 -0.689 10 H THR 2 H THR 2 3.696 -0.525 -2.995 11 HA THR 2 HA THR 2 5.621 -2.142 -1.464 12 HB THR 2 HB THR 2 5.674 -1.995 -4.452 13 HG1 THR 2 HG1 THR 2 4.015 -3.814 -3.027 14 HG21 THR 2 3HG2 THR 2 6.005 -4.550 -3.055 15 HG22 THR 2 1HG2 THR 2 7.185 -3.322 -2.599 16 HG23 THR 2 2HG2 THR 2 7.013 -3.795 -4.290 17 H LEU 3 H LEU 3 7.619 -1.400 -1.118 18 HA LEU 3 HA LEU 3 8.490 0.981 -2.621 19 HB2 LEU 3 2HB LEU 3 8.069 0.722 0.120 20 HB3 LEU 3 3HB LEU 3 9.819 0.635 -0.076 21 HG LEU 3 HG LEU 3 9.944 2.807 -0.941 22 HD11 LEU 3 1HD1 LEU 3 7.215 2.271 -1.800 23 HD12 LEU 3 2HD1 LEU 3 8.434 3.342 -2.491 24 HD13 LEU 3 3HD1 LEU 3 7.432 3.897 -1.150 25 HD21 LEU 3 3HD2 LEU 3 7.829 2.743 1.206 26 HD22 LEU 3 1HD2 LEU 3 8.688 4.197 0.696 27 HD23 LEU 3 2HD2 LEU 3 9.576 2.860 1.428 28 H CYS 4 H CYS 4 10.257 0.717 -3.805 29 HA CYS 4 HA CYS 4 12.128 -1.439 -3.074 30 HB2 CYS 4 2HB CYS 4 11.609 -0.467 -5.885 31 HB3 CYS 4 3HB CYS 4 12.522 -1.888 -5.391 32 HG CYS 4 HG CYS 4 9.407 -2.025 -4.271 33 H ALA 5 H ALA 5 14.361 -1.094 -3.652 34 HA ALA 5 HA ALA 5 15.108 1.696 -4.159 35 HB1 ALA 5 1HB ALA 5 16.053 2.039 -2.172 36 HB2 ALA 5 2HB ALA 5 15.196 0.599 -1.623 37 HB3 ALA 5 3HB ALA 5 16.857 0.469 -2.199 38 H MET 6 H MET 6 17.030 1.978 -5.250 39 HA MET 6 HA MET 6 18.327 -0.495 -6.191 40 HB2 MET 6 2HB MET 6 18.801 0.605 -8.271 41 HB3 MET 6 3HB MET 6 17.090 0.811 -7.924 42 HG2 MET 6 2HG MET 6 17.904 3.063 -6.856 43 HG3 MET 6 3HG MET 6 19.282 2.817 -7.926 44 HE1 MET 6 3HE MET 6 19.061 2.110 -10.246 45 HE2 MET 6 1HE MET 6 17.484 1.545 -10.797 46 HE3 MET 6 2HE MET 6 18.116 3.089 -11.369 47 H TYR 7 H TYR 7 20.405 -0.770 -5.709 48 HA TYR 7 HA TYR 7 21.969 1.588 -4.882 49 HB2 TYR 7 2HB TYR 7 23.077 0.279 -3.216 50 HB3 TYR 7 3HB TYR 7 21.349 0.014 -3.014 51 HD1 TYR 7 HD1 TYR 7 20.366 -2.098 -4.158 52 HD2 TYR 7 HD2 TYR 7 24.513 -1.542 -3.389 53 HE1 TYR 7 HE1 TYR 7 20.715 -4.527 -4.319 54 HE2 TYR 7 HE2 TYR 7 24.874 -3.970 -3.549 55 HH TYR 7 HH TYR 7 22.179 -6.187 -4.222 56 H ASN 8 H ASN 8 23.999 1.815 -5.692 57 HA ASN 8 HA ASN 8 24.850 -0.197 -7.667 58 HB2 ASN 8 2HB ASN 8 26.009 1.609 -8.835 59 HB3 ASN 8 3HB ASN 8 24.306 2.007 -8.631 60 HD21 ASN 8 1HD2 ASN 8 27.552 2.654 -7.512 61 HD22 ASN 8 2HD2 ASN 8 27.203 4.183 -6.785 62 H ILE 9 H ILE 9 26.785 -1.152 -7.453 63 HA ILE 9 HA ILE 9 28.552 -0.176 -5.305 64 HB ILE 9 HB ILE 9 29.400 -2.663 -5.462 65 HG12 ILE 9 2HG1 ILE 9 26.554 -2.837 -6.474 66 HG13 ILE 9 3HG1 ILE 9 28.007 -3.333 -7.335 67 HG21 ILE 9 1HG2 ILE 9 26.766 -2.259 -4.096 68 HG22 ILE 9 2HG2 ILE 9 28.189 -3.137 -3.536 69 HG23 ILE 9 3HG2 ILE 9 28.201 -1.374 -3.577 70 HD11 ILE 9 3HD1 ILE 9 26.800 -4.600 -4.895 71 HD12 ILE 9 1HD1 ILE 9 26.948 -5.287 -6.512 72 HD13 ILE 9 2HD1 ILE 9 28.390 -5.019 -5.532 73 H SER 10 H SER 10 30.595 0.326 -5.802 74 HA SER 10 HA SER 10 31.535 -0.308 -8.521 75 HB2 SER 10 2HB SER 10 32.347 1.796 -8.726 76 HB3 SER 10 3HB SER 10 31.232 2.171 -7.413 77 HG SER 10 HG SER 10 33.942 2.178 -7.425 78 H MET 11 H MET 11 33.176 -1.675 -8.685 79 HA MET 11 HA MET 11 34.618 -2.493 -6.308 80 HB2 MET 11 2HB MET 11 35.426 -4.312 -7.589 81 HB3 MET 11 3HB MET 11 33.755 -4.085 -8.087 82 HG2 MET 11 2HG MET 11 35.283 -2.494 -9.806 83 HG3 MET 11 3HG MET 11 36.151 -4.020 -9.656 84 HE1 MET 11 3HE MET 11 33.137 -2.440 -11.869 85 HE2 MET 11 1HE MET 11 34.896 -2.505 -11.985 86 HE3 MET 11 2HE MET 11 33.908 -3.590 -12.963 87 H ALA 12 H ALA 12 34.972 -0.041 -8.464 88 HA ALA 12 HA ALA 12 37.521 0.707 -7.595 89 HB1 ALA 12 1HB ALA 12 37.770 -1.334 -9.386 90 HB2 ALA 12 2HB ALA 12 37.924 0.083 -10.426 91 HB3 ALA 12 3HB ALA 12 39.008 -0.123 -9.050 92 H GLY 13 H GLY 13 38.451 2.060 -9.900 93 HA2 GLY 13 2HA GLY 13 36.536 4.237 -9.945 94 HA3 GLY 13 3HA GLY 13 38.159 4.259 -10.617 95 H SER 14 H SER 14 36.191 1.587 -11.478 96 HA SER 14 HA SER 14 35.874 2.727 -14.171 97 HB2 SER 14 2HB SER 14 37.226 0.582 -13.805 98 HB3 SER 14 3HB SER 14 35.682 -0.201 -13.467 99 HG SER 14 HG SER 14 35.565 -0.406 -15.551 100 H HIS 15 H HIS 15 33.933 2.122 -15.377 101 HA HIS 15 HA HIS 15 31.590 2.927 -14.414 102 HB2 HIS 15 2HB HIS 15 31.986 0.557 -16.249 103 HB3 HIS 15 3HB HIS 15 30.439 1.360 -15.995 104 HD1 HIS 15 HD1 HIS 15 30.805 4.182 -16.403 105 HD2 HIS 15 HD2 HIS 15 33.124 1.456 -18.515 106 HE1 HIS 15 HE1 HIS 15 31.641 5.430 -18.420 107 HA PRO 16 HA PRO 16 30.905 0.102 -10.987 108 HB2 PRO 16 2HB PRO 16 28.853 1.525 -9.924 109 HB3 PRO 16 3HB PRO 16 30.549 1.963 -9.689 110 HG2 PRO 16 2HG PRO 16 28.552 3.086 -11.616 111 HG3 PRO 16 3HG PRO 16 29.745 3.938 -10.618 112 HD2 PRO 16 2HD PRO 16 30.140 3.433 -13.249 113 HD3 PRO 16 3HD PRO 16 31.472 3.487 -12.077 114 H THR 17 H THR 17 28.817 -0.884 -10.079 115 HA THR 17 HA THR 17 27.026 -1.542 -12.327 116 HB THR 17 HB THR 17 27.774 -3.300 -9.982 117 HG1 THR 17 HG1 THR 17 28.586 -3.261 -12.707 118 HG21 THR 17 3HG2 THR 17 25.832 -4.310 -10.483 119 HG22 THR 17 1HG2 THR 17 26.669 -4.897 -11.919 120 HG23 THR 17 2HG2 THR 17 25.672 -3.446 -12.012 121 H THR 18 H THR 18 24.923 -1.137 -12.088 122 HA THR 18 HA THR 18 23.968 -0.313 -9.433 123 HB THR 18 HB THR 18 22.531 0.202 -12.029 124 HG1 THR 18 HG1 THR 18 24.617 1.696 -10.801 125 HG21 THR 18 3HG2 THR 18 21.018 0.932 -10.540 126 HG22 THR 18 1HG2 THR 18 22.100 2.307 -10.324 127 HG23 THR 18 2HG2 THR 18 22.186 0.935 -9.219 128 H ILE 19 H ILE 19 22.195 -1.239 -8.499 129 HA ILE 19 HA ILE 19 20.790 -3.345 -9.982 130 HB ILE 19 HB ILE 19 22.506 -3.720 -7.649 131 HG12 ILE 19 2HG1 ILE 19 21.227 -5.466 -9.746 132 HG13 ILE 19 3HG1 ILE 19 22.923 -5.022 -9.583 133 HG21 ILE 19 1HG2 ILE 19 20.410 -3.690 -6.443 134 HG22 ILE 19 2HG2 ILE 19 19.705 -4.830 -7.587 135 HG23 ILE 19 3HG2 ILE 19 21.022 -5.342 -6.533 136 HD11 ILE 19 3HD1 ILE 19 21.363 -6.870 -7.796 137 HD12 ILE 19 1HD1 ILE 19 22.625 -7.314 -8.945 138 HD13 ILE 19 2HD1 ILE 19 23.028 -6.364 -7.514 139 H CYS 20 H CYS 20 18.650 -3.600 -9.469 140 HA CYS 20 HA CYS 20 17.569 -1.763 -7.434 141 HB2 CYS 20 2HB CYS 20 17.009 -0.960 -9.660 142 HB3 CYS 20 3HB CYS 20 16.367 -2.538 -10.099 143 HG CYS 20 HG CYS 20 14.019 -1.469 -9.729 144 H VAL 21 H VAL 21 16.661 -2.788 -5.791 145 HA VAL 21 HA VAL 21 15.107 -5.219 -6.295 146 HB VAL 21 HB VAL 21 16.075 -6.289 -4.265 147 HG11 VAL 21 1HG1 VAL 21 16.891 -7.200 -6.233 148 HG12 VAL 21 2HG1 VAL 21 17.741 -5.721 -6.686 149 HG13 VAL 21 3HG1 VAL 21 18.367 -6.737 -5.387 150 HG21 VAL 21 3HG2 VAL 21 16.967 -4.041 -3.406 151 HG22 VAL 21 1HG2 VAL 21 17.978 -5.469 -3.183 152 HG23 VAL 21 2HG2 VAL 21 18.337 -4.327 -4.478 153 H VAL 22 H VAL 22 13.428 -5.584 -4.844 154 HA VAL 22 HA VAL 22 12.330 -3.280 -3.608 155 HB VAL 22 HB VAL 22 10.991 -5.173 -4.559 156 HG11 VAL 22 1HG1 VAL 22 11.332 -6.620 -1.975 157 HG12 VAL 22 2HG1 VAL 22 10.820 -7.230 -3.549 158 HG13 VAL 22 3HG1 VAL 22 12.519 -6.857 -3.256 159 HG21 VAL 22 3HG2 VAL 22 10.307 -3.418 -2.691 160 HG22 VAL 22 1HG2 VAL 22 9.203 -4.682 -3.232 161 HG23 VAL 22 2HG2 VAL 22 10.113 -4.887 -1.736 162 H MET 23 H MET 23 11.779 -3.011 -1.363 163 HA MET 23 HA MET 23 13.905 -3.234 0.390 164 HB2 MET 23 2HB MET 23 12.364 -2.616 2.150 165 HB3 MET 23 3HB MET 23 11.971 -1.715 0.692 166 HG2 MET 23 2HG MET 23 10.329 -3.783 0.349 167 HG3 MET 23 3HG MET 23 10.437 -3.805 2.108 168 HE1 MET 23 3HE MET 23 8.744 -2.541 3.508 169 HE2 MET 23 1HE MET 23 7.387 -1.792 2.665 170 HE3 MET 23 2HE MET 23 7.867 -3.443 2.271 171 H ASP 24 H ASP 24 11.202 -5.439 -0.122 172 HA ASP 24 HA ASP 24 11.617 -7.137 2.060 173 HB2 ASP 24 2HB ASP 24 10.662 -8.082 -0.639 174 HB3 ASP 24 3HB ASP 24 10.220 -8.699 0.951 175 H ARG 25 H ARG 25 13.096 -7.079 -1.138 176 HA ARG 25 HA ARG 25 14.745 -9.397 -0.440 177 HB2 ARG 25 2HB ARG 25 14.411 -7.934 -3.065 178 HB3 ARG 25 3HB ARG 25 15.430 -9.346 -2.820 179 HG2 ARG 25 2HG ARG 25 12.558 -9.540 -2.087 180 HG3 ARG 25 3HG ARG 25 12.997 -9.552 -3.796 181 HD2 ARG 25 2HD ARG 25 14.434 -11.333 -1.875 182 HD3 ARG 25 3HD ARG 25 12.837 -11.791 -2.466 183 HE ARG 25 HE ARG 25 14.630 -11.065 -4.575 184 HH11 ARG 25 1HH1 ARG 25 13.665 -13.644 -2.444 185 HH12 ARG 25 2HH1 ARG 25 14.203 -14.900 -3.509 186 HH21 ARG 25 1HH2 ARG 25 15.342 -12.710 -5.985 187 HH22 ARG 25 2HH2 ARG 25 15.157 -14.368 -5.523 188 H PHE 26 H PHE 26 14.847 -6.038 -0.393 189 HA PHE 26 HA PHE 26 17.527 -5.534 -1.111 190 HB2 PHE 26 2HB PHE 26 15.743 -3.795 -0.876 191 HB3 PHE 26 3HB PHE 26 15.845 -3.989 0.871 192 HD1 PHE 26 HD1 PHE 26 18.570 -3.892 -1.654 193 HD2 PHE 26 HD2 PHE 26 16.683 -1.971 1.643 194 HE1 PHE 26 HE1 PHE 26 20.388 -2.236 -1.582 195 HE2 PHE 26 HE2 PHE 26 18.498 -0.312 1.719 196 HZ PHE 26 HZ PHE 26 20.353 -0.442 0.105 197 H LEU 27 H LEU 27 16.002 -6.194 2.023 198 HA LEU 27 HA LEU 27 18.259 -5.885 3.635 199 HB2 LEU 27 2HB LEU 27 17.069 -7.436 5.203 200 HB3 LEU 27 3HB LEU 27 16.142 -6.035 4.672 201 HG LEU 27 HG LEU 27 15.375 -7.934 2.864 202 HD11 LEU 27 1HD1 LEU 27 15.024 -9.502 5.301 203 HD12 LEU 27 2HD1 LEU 27 16.694 -9.422 4.740 204 HD13 LEU 27 3HD1 LEU 27 15.430 -10.019 3.664 205 HD21 LEU 27 3HD2 LEU 27 14.214 -7.016 5.472 206 HD22 LEU 27 1HD2 LEU 27 13.354 -8.149 4.429 207 HD23 LEU 27 2HD2 LEU 27 13.770 -6.543 3.831 208 H GLU 28 H GLU 28 16.967 -8.822 2.097 209 HA GLU 28 HA GLU 28 19.058 -10.510 3.015 210 HB2 GLU 28 2HB GLU 28 16.900 -11.425 2.357 211 HB3 GLU 28 3HB GLU 28 17.127 -10.843 0.714 212 HG2 GLU 28 2HG GLU 28 19.208 -12.640 1.796 213 HG3 GLU 28 3HG GLU 28 17.632 -13.349 1.451 214 H SER 29 H SER 29 18.455 -8.852 -0.064 215 HA SER 29 HA SER 29 20.617 -9.840 -1.506 216 HB2 SER 29 2HB SER 29 18.933 -8.581 -2.651 217 HB3 SER 29 3HB SER 29 19.216 -7.165 -1.640 218 HG SER 29 HG SER 29 20.229 -7.408 -3.898 219 H PHE 30 H PHE 30 20.439 -7.106 0.726 220 HA PHE 30 HA PHE 30 23.073 -6.168 0.276 221 HB2 PHE 30 2HB PHE 30 22.154 -4.489 1.440 222 HB3 PHE 30 3HB PHE 30 20.854 -5.526 2.015 223 HD1 PHE 30 HD2 PHE 30 24.419 -4.689 2.660 224 HD2 PHE 30 HD1 PHE 30 20.727 -6.080 4.257 225 HE1 PHE 30 HE2 PHE 30 25.379 -4.625 4.925 226 HE2 PHE 30 HE1 PHE 30 21.681 -6.018 6.524 227 HZ PHE 30 HZ PHE 30 24.009 -5.289 6.861 228 H SER 31 H SER 31 21.674 -8.315 2.727 229 HA SER 31 HA SER 31 23.925 -8.702 4.304 230 HB2 SER 31 2HB SER 31 22.838 -10.614 5.187 231 HB3 SER 31 3HB SER 31 21.535 -9.528 4.704 232 HG SER 31 HG SER 31 22.458 -11.863 3.411 233 H GLU 32 H GLU 32 22.877 -10.509 1.431 234 HA GLU 32 HA GLU 32 25.152 -12.246 1.459 235 HB2 GLU 32 2HB GLU 32 22.855 -12.713 0.429 236 HB3 GLU 32 3HB GLU 32 23.377 -11.707 -0.915 237 HG2 GLU 32 2HG GLU 32 23.853 -13.855 -1.629 238 HG3 GLU 32 3HG GLU 32 25.406 -13.269 -1.038 239 H LEU 33 H LEU 33 24.231 -9.350 -0.354 240 HA LEU 33 HA LEU 33 26.334 -9.281 -2.173 241 HB2 LEU 33 2HB LEU 33 24.401 -7.813 -2.316 242 HB3 LEU 33 3HB LEU 33 24.903 -6.984 -0.844 243 HG LEU 33 HG LEU 33 25.332 -5.849 -3.113 244 HD11 LEU 33 1HD1 LEU 33 27.812 -6.057 -1.466 245 HD12 LEU 33 2HD1 LEU 33 26.342 -5.393 -0.755 246 HD13 LEU 33 3HD1 LEU 33 27.051 -4.636 -2.181 247 HD21 LEU 33 3HD2 LEU 33 27.563 -6.472 -4.066 248 HD22 LEU 33 1HD2 LEU 33 26.286 -7.658 -4.337 249 HD23 LEU 33 2HD2 LEU 33 27.501 -7.940 -3.090 250 H TYR 34 H TYR 34 26.173 -8.131 1.159 251 HA TYR 34 HA TYR 34 28.670 -6.814 1.187 252 HB2 TYR 34 2HB TYR 34 27.148 -6.281 2.925 253 HB3 TYR 34 3HB TYR 34 26.942 -7.971 3.369 254 HD1 TYR 34 HD2 TYR 34 29.212 -5.077 3.541 255 HD2 TYR 34 HD1 TYR 34 28.490 -9.066 4.834 256 HE1 TYR 34 HE2 TYR 34 30.971 -4.838 5.243 257 HE2 TYR 34 HE1 TYR 34 30.246 -8.837 6.541 258 HH TYR 34 HH TYR 34 31.338 -6.910 7.812 259 H ASP 35 H ASP 35 27.725 -10.147 1.645 260 HA ASP 35 HA ASP 35 30.222 -11.017 2.731 261 HB2 ASP 35 2HB ASP 35 27.659 -12.155 2.243 262 HB3 ASP 35 3HB ASP 35 28.857 -13.170 1.443 263 H ILE 36 H ILE 36 28.899 -10.650 -0.479 264 HA ILE 36 HA ILE 36 31.156 -12.044 -1.690 265 HB ILE 36 HB ILE 36 29.028 -12.494 -2.706 266 HG12 ILE 36 2HG1 ILE 36 31.243 -11.744 -4.090 267 HG13 ILE 36 3HG1 ILE 36 29.792 -12.403 -4.837 268 HG21 ILE 36 1HG2 ILE 36 27.750 -10.641 -3.816 269 HG22 ILE 36 2HG2 ILE 36 27.742 -10.604 -2.054 270 HG23 ILE 36 3HG2 ILE 36 28.787 -9.504 -2.954 271 HD11 ILE 36 3HD1 ILE 36 30.765 -10.315 -5.871 272 HD12 ILE 36 1HD1 ILE 36 29.043 -10.278 -5.493 273 HD13 ILE 36 2HD1 ILE 36 30.197 -9.459 -4.438 274 H ILE 37 H ILE 37 30.140 -8.856 -0.917 275 HA ILE 37 HA ILE 37 31.449 -7.349 -2.870 276 HB ILE 37 HB ILE 37 29.860 -6.547 -1.017 277 HG12 ILE 37 2HG1 ILE 37 31.017 -4.279 -0.967 278 HG13 ILE 37 3HG1 ILE 37 32.339 -5.038 -1.847 279 HG21 ILE 37 1HG2 ILE 37 31.810 -7.441 0.650 280 HG22 ILE 37 2HG2 ILE 37 32.173 -5.718 0.583 281 HG23 ILE 37 3HG2 ILE 37 30.575 -6.263 1.093 282 HD11 ILE 37 3HD1 ILE 37 31.084 -4.066 -3.519 283 HD12 ILE 37 1HD1 ILE 37 30.511 -5.733 -3.527 284 HD13 ILE 37 2HD1 ILE 37 29.551 -4.474 -2.749 285 H ASP 38 H ASP 38 32.723 -9.269 -0.345 286 HA ASP 38 HA ASP 38 35.171 -7.911 0.092 287 HB2 ASP 38 2HB ASP 38 33.991 -10.500 0.813 288 HB3 ASP 38 3HB ASP 38 35.740 -10.548 0.613 289 H GLU 39 H GLU 39 34.028 -9.961 -2.432 290 HA GLU 39 HA GLU 39 36.563 -10.840 -3.390 291 HB2 GLU 39 2HB GLU 39 33.962 -10.601 -4.910 292 HB3 GLU 39 3HB GLU 39 35.356 -11.568 -5.370 293 HG2 GLU 39 2HG GLU 39 33.702 -11.994 -2.893 294 HG3 GLU 39 3HG GLU 39 33.536 -12.901 -4.395 295 H ASN 40 H ASN 40 36.774 -10.309 -5.990 296 HA ASN 40 HA ASN 40 36.498 -7.483 -6.523 297 HB2 ASN 40 2HB ASN 40 38.599 -7.705 -5.137 298 HB3 ASN 40 3HB ASN 40 39.280 -8.661 -6.450 299 HD21 ASN 40 1HD2 ASN 40 37.827 -5.527 -5.723 300 HD22 ASN 40 2HD2 ASN 40 38.725 -4.639 -6.903 301 H ASP 41 H ASP 41 35.827 -10.216 -7.622 302 HA ASP 41 HA ASP 41 37.135 -10.029 -10.244 303 HB2 ASP 41 2HB ASP 41 35.955 -12.237 -8.668 304 HB3 ASP 41 3HB ASP 41 35.671 -12.301 -10.406 305 H THR 42 H THR 42 36.012 -9.630 -12.087 306 HA THR 42 HA THR 42 33.480 -8.345 -11.858 307 HB THR 42 HB THR 42 33.588 -7.997 -14.235 308 HG1 THR 42 HG1 THR 42 35.327 -10.188 -14.117 309 HG21 THR 42 3HG2 THR 42 36.483 -7.833 -13.601 310 HG22 THR 42 1HG2 THR 42 35.372 -6.977 -12.533 311 HG23 THR 42 2HG2 THR 42 35.397 -6.609 -14.258 312 H ASP 43 H ASP 43 34.530 -11.553 -12.742 313 HA ASP 43 HA ASP 43 32.148 -12.407 -14.009 314 HB2 ASP 43 2HB ASP 43 34.406 -13.541 -14.126 315 HB3 ASP 43 3HB ASP 43 34.096 -14.160 -12.507 316 H VAL 44 H VAL 44 33.322 -12.727 -10.671 317 HA VAL 44 HA VAL 44 31.032 -14.117 -9.726 318 HB VAL 44 HB VAL 44 33.150 -14.240 -8.529 319 HG11 VAL 44 1HG1 VAL 44 32.719 -11.346 -7.800 320 HG12 VAL 44 2HG1 VAL 44 34.066 -12.376 -7.310 321 HG13 VAL 44 3HG1 VAL 44 33.875 -11.917 -9.003 322 HG21 VAL 44 3HG2 VAL 44 31.653 -12.882 -6.436 323 HG22 VAL 44 1HG2 VAL 44 30.650 -13.963 -7.403 324 HG23 VAL 44 2HG2 VAL 44 32.088 -14.584 -6.592 325 H MET 45 H MET 45 31.954 -10.712 -9.823 326 HA MET 45 HA MET 45 29.760 -9.777 -8.274 327 HB2 MET 45 2HB MET 45 31.917 -8.577 -9.896 328 HB3 MET 45 3HB MET 45 30.453 -7.613 -9.758 329 HG2 MET 45 2HG MET 45 31.983 -8.728 -7.421 330 HG3 MET 45 3HG MET 45 32.169 -7.094 -8.054 331 HE1 MET 45 3HE MET 45 30.147 -4.986 -6.836 332 HE2 MET 45 1HE MET 45 30.398 -5.599 -8.471 333 HE3 MET 45 2HE MET 45 28.778 -5.589 -7.772 334 H MET 46 H MET 46 30.360 -10.031 -11.761 335 HA MET 46 HA MET 46 27.908 -8.851 -12.553 336 HB2 MET 46 2HB MET 46 28.470 -9.489 -14.750 337 HB3 MET 46 3HB MET 46 30.011 -9.181 -13.961 338 HG2 MET 46 2HG MET 46 30.358 -11.557 -13.649 339 HG3 MET 46 3HG MET 46 28.782 -11.898 -14.358 340 HE1 MET 46 3HE MET 46 29.238 -10.994 -18.081 341 HE2 MET 46 1HE MET 46 28.309 -11.983 -16.954 342 HE3 MET 46 2HE MET 46 28.370 -10.232 -16.747 343 H ASP 47 H ASP 47 28.902 -12.154 -11.867 344 HA ASP 47 HA ASP 47 26.519 -13.382 -12.830 345 HB2 ASP 47 2HB ASP 47 28.511 -14.716 -12.658 346 HB3 ASP 47 3HB ASP 47 28.672 -14.349 -10.943 347 H PHE 48 H PHE 48 27.619 -12.290 -9.653 348 HA PHE 48 HA PHE 48 25.355 -13.274 -8.237 349 HB2 PHE 48 2HB PHE 48 27.369 -12.881 -7.003 350 HB3 PHE 48 3HB PHE 48 27.446 -11.208 -7.546 351 HD1 PHE 48 HD2 PHE 48 25.934 -9.528 -6.616 352 HD2 PHE 48 HD1 PHE 48 25.959 -13.538 -5.189 353 HE1 PHE 48 HE2 PHE 48 24.698 -8.819 -4.610 354 HE2 PHE 48 HE1 PHE 48 24.723 -12.835 -3.181 355 HZ PHE 48 HZ PHE 48 24.090 -10.473 -2.890 356 H ILE 49 H ILE 49 26.244 -10.089 -9.517 357 HA ILE 49 HA ILE 49 23.984 -8.704 -8.572 358 HB ILE 49 HB ILE 49 26.080 -8.188 -10.597 359 HG12 ILE 49 2HG1 ILE 49 26.025 -5.957 -9.374 360 HG13 ILE 49 3HG1 ILE 49 24.825 -6.675 -8.305 361 HG21 ILE 49 1HG2 ILE 49 24.277 -7.622 -11.996 362 HG22 ILE 49 2HG2 ILE 49 23.375 -6.885 -10.673 363 HG23 ILE 49 3HG2 ILE 49 24.820 -6.095 -11.302 364 HD11 ILE 49 3HD1 ILE 49 26.739 -8.544 -8.156 365 HD12 ILE 49 1HD1 ILE 49 27.729 -7.117 -8.465 366 HD13 ILE 49 2HD1 ILE 49 26.643 -7.153 -7.076 367 H SER 50 H SER 50 24.644 -10.200 -11.732 368 HA SER 50 HA SER 50 22.165 -9.549 -12.900 369 HB2 SER 50 2HB SER 50 24.344 -10.412 -14.012 370 HB3 SER 50 3HB SER 50 23.718 -12.018 -13.639 371 HG SER 50 HG SER 50 22.407 -11.825 -15.258 372 H ARG 51 H ARG 51 23.243 -12.318 -11.005 373 HA ARG 51 HA ARG 51 20.873 -13.854 -11.390 374 HB2 ARG 51 2HB ARG 51 23.201 -14.007 -9.502 375 HB3 ARG 51 3HB ARG 51 21.795 -15.034 -9.260 376 HG2 ARG 51 2HG ARG 51 22.100 -16.062 -11.403 377 HG3 ARG 51 3HG ARG 51 23.391 -14.929 -11.809 378 HD2 ARG 51 2HD ARG 51 24.404 -16.991 -11.157 379 HD3 ARG 51 3HD ARG 51 24.679 -15.822 -9.866 380 HE ARG 51 HE ARG 51 22.344 -17.272 -9.301 381 HH11 ARG 51 1HH1 ARG 51 25.792 -17.715 -9.485 382 HH12 ARG 51 2HH1 ARG 51 25.823 -18.985 -8.307 383 HH21 ARG 51 1HH2 ARG 51 22.372 -18.943 -7.749 384 HH22 ARG 51 2HH2 ARG 51 23.877 -19.684 -7.321 385 H PHE 52 H PHE 52 21.865 -11.385 -9.138 386 HA PHE 52 HA PHE 52 19.589 -11.862 -7.391 387 HB2 PHE 52 2HB PHE 52 22.053 -10.211 -7.280 388 HB3 PHE 52 3HB PHE 52 20.647 -9.586 -6.425 389 HD1 PHE 52 HD1 PHE 52 21.801 -13.091 -6.885 390 HD2 PHE 52 HD2 PHE 52 21.097 -9.884 -4.177 391 HE1 PHE 52 HE1 PHE 52 22.294 -14.585 -4.993 392 HE2 PHE 52 HE2 PHE 52 21.589 -11.372 -2.280 393 HZ PHE 52 HZ PHE 52 22.189 -13.726 -2.687 394 H ALA 53 H ALA 53 20.338 -10.039 -10.156 395 HA ALA 53 HA ALA 53 18.065 -8.229 -9.668 396 HB1 ALA 53 1HB ALA 53 19.934 -6.871 -10.013 397 HB2 ALA 53 2HB ALA 53 20.556 -7.898 -11.306 398 HB3 ALA 53 3HB ALA 53 19.129 -6.899 -11.582 399 H ARG 54 H ARG 54 16.904 -7.578 -11.724 400 HA ARG 54 HA ARG 54 16.920 -9.438 -13.910 401 HB2 ARG 54 2HB ARG 54 15.593 -10.493 -11.915 402 HB3 ARG 54 3HB ARG 54 14.335 -9.362 -12.397 403 HG2 ARG 54 2HG ARG 54 13.677 -11.073 -13.693 404 HG3 ARG 54 3HG ARG 54 14.916 -10.449 -14.784 405 HD2 ARG 54 2HD ARG 54 15.428 -12.704 -14.686 406 HD3 ARG 54 3HD ARG 54 16.508 -12.016 -13.475 407 HE ARG 54 HE ARG 54 14.104 -12.783 -12.240 408 HH11 ARG 54 1HH1 ARG 54 16.922 -14.177 -13.735 409 HH12 ARG 54 2HH1 ARG 54 16.859 -15.634 -12.800 410 HH21 ARG 54 1HH2 ARG 54 14.011 -14.697 -11.002 411 HH22 ARG 54 2HH2 ARG 54 15.202 -15.929 -11.246 412 H THR 55 H THR 55 17.025 -6.520 -13.271 413 HA THR 55 HA THR 55 16.173 -4.525 -13.999 414 HB THR 55 HB THR 55 15.563 -4.455 -16.369 415 HG1 THR 55 HG1 THR 55 15.288 -6.362 -17.525 416 HG21 THR 55 3HG2 THR 55 17.858 -6.316 -15.748 417 HG22 THR 55 1HG2 THR 55 17.923 -4.557 -15.850 418 HG23 THR 55 2HG2 THR 55 17.606 -5.513 -17.298 419 H ASP 56 H ASP 56 14.496 -4.315 -12.464 420 HA ASP 56 HA ASP 56 11.808 -4.808 -13.567 421 HB2 ASP 56 2HB ASP 56 12.695 -4.976 -10.680 422 HB3 ASP 56 3HB ASP 56 11.019 -5.062 -11.217 423 H GLU 57 H GLU 57 10.205 -3.248 -13.113 424 HA GLU 57 HA GLU 57 11.300 -0.625 -12.339 425 HB2 GLU 57 2HB GLU 57 9.747 0.415 -13.819 426 HB3 GLU 57 3HB GLU 57 10.519 -0.885 -14.715 427 HG2 GLU 57 2HG GLU 57 8.504 -2.301 -14.096 428 HG3 GLU 57 3HG GLU 57 7.741 -0.794 -13.592 429 H ILE 58 H ILE 58 9.285 0.887 -11.752 430 HA ILE 58 HA ILE 58 7.860 -0.528 -9.600 431 HB ILE 58 HB ILE 58 7.547 1.903 -8.736 432 HG12 ILE 58 2HG1 ILE 58 8.655 2.680 -11.007 433 HG13 ILE 58 3HG1 ILE 58 8.944 3.563 -9.512 434 HG21 ILE 58 1HG2 ILE 58 8.823 0.271 -7.532 435 HG22 ILE 58 2HG2 ILE 58 10.179 0.440 -8.645 436 HG23 ILE 58 3HG2 ILE 58 9.746 1.772 -7.575 437 HD11 ILE 58 3HD1 ILE 58 10.918 2.942 -11.087 438 HD12 ILE 58 1HD1 ILE 58 11.106 2.827 -9.338 439 HD13 ILE 58 2HD1 ILE 58 10.803 1.373 -10.290 440 H MET 59 H MET 59 5.704 -0.620 -9.627 441 HA MET 59 HA MET 59 4.261 0.435 -11.868 442 HB2 MET 59 2HB MET 59 3.774 -1.463 -9.707 443 HB3 MET 59 3HB MET 59 2.368 -0.467 -10.058 444 HG2 MET 59 2HG MET 59 2.695 -1.099 -12.485 445 HG3 MET 59 3HG MET 59 3.849 -2.301 -11.913 446 HE1 MET 59 3HE MET 59 2.306 -4.311 -13.092 447 HE2 MET 59 1HE MET 59 0.550 -4.266 -12.937 448 HE3 MET 59 2HE MET 59 1.402 -2.922 -13.696 449 HA PRO 60 HA PRO 60 2.621 4.171 -10.255 450 HB2 PRO 60 2HB PRO 60 0.014 4.087 -11.005 451 HB3 PRO 60 3HB PRO 60 1.335 4.339 -12.151 452 HG2 PRO 60 2HG PRO 60 -0.167 1.830 -11.514 453 HG3 PRO 60 3HG PRO 60 0.334 2.463 -13.092 454 HD2 PRO 60 2HD PRO 60 1.689 0.497 -11.815 455 HD3 PRO 60 3HD PRO 60 2.492 1.687 -12.859 456 H GLU 61 H GLU 61 1.310 1.179 -9.183 457 HA GLU 61 HA GLU 61 -0.390 2.374 -7.160 458 HB2 GLU 61 2HB GLU 61 -1.103 0.185 -6.648 459 HB3 GLU 61 3HB GLU 61 -0.903 0.207 -8.394 460 HG2 GLU 61 2HG GLU 61 1.445 -0.730 -7.922 461 HG3 GLU 61 3HG GLU 61 0.807 -1.106 -6.322 462 H ASP 62 H ASP 62 2.853 1.337 -7.479 463 HA ASP 62 HA ASP 62 3.205 1.468 -4.555 464 HB2 ASP 62 2HB ASP 62 5.307 0.167 -6.191 465 HB3 ASP 62 3HB ASP 62 4.692 -0.260 -4.596 466 H LYS 63 H LYS 63 5.982 1.631 -4.527 467 HA LYS 63 HA LYS 63 6.791 3.875 -6.167 468 HB2 LYS 63 2HB LYS 63 7.441 4.714 -3.550 469 HB3 LYS 63 3HB LYS 63 6.348 5.487 -4.690 470 HG2 LYS 63 2HG LYS 63 4.474 4.302 -3.808 471 HG3 LYS 63 3HG LYS 63 5.519 3.297 -2.801 472 HD2 LYS 63 2HD LYS 63 5.693 4.871 -1.209 473 HD3 LYS 63 3HD LYS 63 5.866 6.176 -2.386 474 HE2 LYS 63 2HE LYS 63 3.206 4.874 -2.061 475 HE3 LYS 63 3HE LYS 63 3.749 6.010 -0.827 476 HZ1 LYS 63 3HZ LYS 63 3.328 7.717 -2.160 477 HZ2 LYS 63 1HZ LYS 63 2.536 6.640 -3.197 478 HZ3 LYS 63 2HZ LYS 63 4.162 7.026 -3.459 479 H THR 64 H THR 64 9.045 4.689 -5.098 480 HA THR 64 HA THR 64 10.600 2.240 -4.570 481 HB THR 64 HB THR 64 10.979 4.332 -6.585 482 HG1 THR 64 HG1 THR 64 12.420 1.915 -6.387 483 HG21 THR 64 3HG2 THR 64 13.268 3.522 -4.799 484 HG22 THR 64 1HG2 THR 64 12.706 5.154 -5.160 485 HG23 THR 64 2HG2 THR 64 13.488 4.192 -6.415 486 H VAL 65 H VAL 65 11.647 2.223 -2.698 487 HA VAL 65 HA VAL 65 11.539 4.186 -0.772 488 HB VAL 65 HB VAL 65 13.974 2.459 -0.879 489 HG11 VAL 65 1HG1 VAL 65 12.061 2.831 1.399 490 HG12 VAL 65 2HG1 VAL 65 13.776 2.414 1.443 491 HG13 VAL 65 3HG1 VAL 65 13.276 4.052 1.018 492 HG21 VAL 65 3HG2 VAL 65 12.748 0.652 -1.370 493 HG22 VAL 65 1HG2 VAL 65 12.089 0.819 0.257 494 HG23 VAL 65 2HG2 VAL 65 11.226 1.506 -1.119 495 H GLY 66 H GLY 66 14.118 3.607 -3.145 496 HA2 GLY 66 2HA GLY 66 14.839 6.111 -3.774 497 HA3 GLY 66 3HA GLY 66 15.610 5.916 -2.207 498 H PHE 67 H PHE 67 17.554 6.335 -3.558 499 HA PHE 67 HA PHE 67 18.561 3.800 -4.667 500 HB2 PHE 67 2HB PHE 67 19.822 5.037 -6.340 501 HB3 PHE 67 3HB PHE 67 18.112 5.435 -6.470 502 HD1 PHE 67 HD1 PHE 67 21.416 6.661 -5.457 503 HD2 PHE 67 HD2 PHE 67 17.309 7.639 -5.995 504 HE1 PHE 67 HE1 PHE 67 21.964 9.052 -5.268 505 HE2 PHE 67 HE2 PHE 67 17.851 10.032 -5.807 506 HZ PHE 67 HZ PHE 67 20.181 10.741 -5.442 507 H VAL 68 H VAL 68 20.610 3.202 -4.100 508 HA VAL 68 HA VAL 68 21.999 4.961 -2.184 509 HB VAL 68 HB VAL 68 21.935 1.942 -2.261 510 HG11 VAL 68 1HG1 VAL 68 23.264 2.109 -0.162 511 HG12 VAL 68 2HG1 VAL 68 24.133 2.642 -1.602 512 HG13 VAL 68 3HG1 VAL 68 23.468 3.831 -0.481 513 HG21 VAL 68 3HG2 VAL 68 20.607 4.010 -0.571 514 HG22 VAL 68 1HG2 VAL 68 19.954 2.516 -1.244 515 HG23 VAL 68 2HG2 VAL 68 21.039 2.458 0.145 516 H VAL 69 H VAL 69 24.041 5.518 -2.618 517 HA VAL 69 HA VAL 69 25.336 4.266 -4.944 518 HB VAL 69 HB VAL 69 25.982 6.933 -3.682 519 HG11 VAL 69 1HG1 VAL 69 27.450 7.309 -5.444 520 HG12 VAL 69 2HG1 VAL 69 27.730 5.612 -5.048 521 HG13 VAL 69 3HG1 VAL 69 26.735 6.042 -6.440 522 HG21 VAL 69 3HG2 VAL 69 23.884 6.146 -5.534 523 HG22 VAL 69 1HG2 VAL 69 24.105 7.656 -4.650 524 HG23 VAL 69 2HG2 VAL 69 24.928 7.407 -6.189 525 H VAL 70 H VAL 70 26.930 2.897 -4.536 526 HA VAL 70 HA VAL 70 28.594 3.339 -2.143 527 HB VAL 70 HB VAL 70 27.761 0.667 -3.283 528 HG11 VAL 70 1HG1 VAL 70 28.831 -0.036 -0.999 529 HG12 VAL 70 2HG1 VAL 70 29.846 0.224 -2.419 530 HG13 VAL 70 3HG1 VAL 70 29.719 1.477 -1.183 531 HG21 VAL 70 3HG2 VAL 70 26.700 0.464 -0.967 532 HG22 VAL 70 1HG2 VAL 70 26.882 2.215 -0.864 533 HG23 VAL 70 2HG2 VAL 70 25.891 1.504 -2.139 534 H ASN 71 H ASN 71 30.591 3.860 -2.715 535 HA ASN 71 HA ASN 71 31.735 2.611 -5.128 536 HB2 ASN 71 2HB ASN 71 32.406 5.346 -4.021 537 HB3 ASN 71 3HB ASN 71 33.031 4.631 -5.504 538 HD21 ASN 71 1HD2 ASN 71 30.566 6.463 -4.089 539 HD22 ASN 71 2HD2 ASN 71 29.541 6.602 -5.473 540 H ALA 72 H ALA 72 33.142 1.108 -4.516 541 HA ALA 72 HA ALA 72 34.435 1.084 -1.985 542 HB1 ALA 72 1HB ALA 72 35.282 -0.526 -4.377 543 HB2 ALA 72 2HB ALA 72 35.437 -0.934 -2.668 544 HB3 ALA 72 3HB ALA 72 33.847 -0.918 -3.431 545 H ASP 73 H ASP 73 35.388 2.106 -5.210 546 HA ASP 73 HA ASP 73 38.143 2.363 -4.798 547 HB2 ASP 73 2HB ASP 73 37.557 2.569 -7.024 548 HB3 ASP 73 3HB ASP 73 36.177 3.606 -6.674 549 H LYS 74 H LYS 74 35.477 4.536 -4.056 550 HA LYS 74 HA LYS 74 37.323 6.567 -3.060 551 HB2 LYS 74 2HB LYS 74 34.340 6.513 -3.488 552 HB3 LYS 74 3HB LYS 74 35.135 7.818 -2.618 553 HG2 LYS 74 2HG LYS 74 36.437 8.382 -4.569 554 HG3 LYS 74 3HG LYS 74 35.767 7.005 -5.448 555 HD2 LYS 74 2HD LYS 74 33.585 7.974 -5.447 556 HD3 LYS 74 3HD LYS 74 34.088 9.247 -4.333 557 HE2 LYS 74 2HE LYS 74 35.754 9.932 -6.139 558 HE3 LYS 74 3HE LYS 74 34.843 8.877 -7.219 559 HZ1 LYS 74 3HZ LYS 74 34.128 11.464 -6.121 560 HZ2 LYS 74 1HZ LYS 74 32.879 10.322 -6.148 561 HZ3 LYS 74 2HZ LYS 74 33.672 10.742 -7.582 562 H LYS 75 H LYS 75 35.531 3.922 -1.924 563 HA LYS 75 HA LYS 75 35.213 3.045 0.151 564 HB2 LYS 75 2HB LYS 75 37.638 4.261 0.309 565 HB3 LYS 75 3HB LYS 75 36.767 5.108 1.581 566 HG2 LYS 75 2HG LYS 75 36.455 3.176 2.829 567 HG3 LYS 75 3HG LYS 75 36.742 2.119 1.445 568 HD2 LYS 75 2HD LYS 75 38.941 3.912 2.353 569 HD3 LYS 75 3HD LYS 75 38.578 2.471 3.305 570 HE2 LYS 75 2HE LYS 75 38.937 2.296 0.337 571 HE3 LYS 75 3HE LYS 75 40.336 2.326 1.409 572 HZ1 LYS 75 3HZ LYS 75 38.398 0.469 2.329 573 HZ2 LYS 75 1HZ LYS 75 40.018 0.207 1.917 574 HZ3 LYS 75 2HZ LYS 75 38.819 0.132 0.726 575 H LEU 76 H LEU 76 33.319 4.858 -0.820 576 HA LEU 76 HA LEU 76 32.249 5.874 1.709 577 HB2 LEU 76 2HB LEU 76 31.330 7.800 0.134 578 HB3 LEU 76 3HB LEU 76 32.867 7.926 0.987 579 HG LEU 76 HG LEU 76 33.963 7.098 -1.142 580 HD11 LEU 76 1HD1 LEU 76 31.207 7.672 -2.211 581 HD12 LEU 76 2HD1 LEU 76 32.078 6.140 -2.262 582 HD13 LEU 76 3HD1 LEU 76 32.650 7.511 -3.212 583 HD21 LEU 76 3HD2 LEU 76 32.562 9.740 -0.910 584 HD22 LEU 76 1HD2 LEU 76 33.608 9.368 -2.281 585 HD23 LEU 76 2HD2 LEU 76 34.264 9.358 -0.643 586 H MET 77 H MET 77 29.967 6.004 1.793 587 HA MET 77 HA MET 77 28.478 4.935 -0.481 588 HB2 MET 77 2HB MET 77 28.692 2.891 0.545 589 HB3 MET 77 3HB MET 77 28.833 3.590 2.153 590 HG2 MET 77 2HG MET 77 26.463 4.013 2.225 591 HG3 MET 77 3HG MET 77 26.283 3.455 0.563 592 HE1 MET 77 3HE MET 77 24.694 1.071 0.752 593 HE2 MET 77 1HE MET 77 24.431 0.710 2.459 594 HE3 MET 77 2HE MET 77 24.332 2.375 1.884 595 H SER 78 H SER 78 26.650 6.028 -0.780 596 HA SER 78 HA SER 78 25.516 7.504 1.506 597 HB2 SER 78 2HB SER 78 25.542 8.397 -1.387 598 HB3 SER 78 3HB SER 78 24.881 9.297 -0.023 599 HG SER 78 HG SER 78 27.601 8.565 -0.386 600 H VAL 79 H VAL 79 23.359 7.359 1.839 601 HA VAL 79 HA VAL 79 21.816 5.742 -0.084 602 HB VAL 79 HB VAL 79 21.494 5.886 2.917 603 HG11 VAL 79 1HG1 VAL 79 19.638 5.163 0.853 604 HG12 VAL 79 2HG1 VAL 79 20.014 3.754 1.847 605 HG13 VAL 79 3HG1 VAL 79 19.397 5.226 2.598 606 HG21 VAL 79 3HG2 VAL 79 23.278 4.391 1.429 607 HG22 VAL 79 1HG2 VAL 79 22.754 4.051 3.078 608 HG23 VAL 79 2HG2 VAL 79 21.942 3.277 1.717 609 H SER 80 H SER 80 20.284 6.844 -1.093 610 HA SER 80 HA SER 80 19.063 9.147 0.284 611 HB2 SER 80 2HB SER 80 20.150 10.089 -1.556 612 HB3 SER 80 3HB SER 80 19.802 8.707 -2.594 613 HG SER 80 HG SER 80 17.787 10.421 -1.583 614 H PHE 81 H PHE 81 17.035 8.827 0.878 615 HA PHE 81 HA PHE 81 15.263 7.275 -0.870 616 HB2 PHE 81 2HB PHE 81 14.233 6.319 1.274 617 HB3 PHE 81 3HB PHE 81 15.778 5.651 0.760 618 HD1 PHE 81 HD2 PHE 81 14.431 8.367 2.933 619 HD2 PHE 81 HD1 PHE 81 17.431 5.408 2.332 620 HE1 PHE 81 HE2 PHE 81 15.387 8.893 5.138 621 HE2 PHE 81 HE1 PHE 81 18.391 5.928 4.537 622 HZ PHE 81 HZ PHE 81 17.370 7.674 5.942 623 H SER 82 H SER 82 13.027 7.773 -0.658 624 HA SER 82 HA SER 82 12.582 10.517 0.214 625 HB2 SER 82 2HB SER 82 10.707 8.666 -1.277 626 HB3 SER 82 3HB SER 82 10.522 10.407 -1.066 627 HG SER 82 HG SER 82 12.778 10.344 -2.127 628 H ASP 83 H ASP 83 10.292 10.925 1.133 629 HA ASP 83 HA ASP 83 10.061 10.204 3.691 630 HB2 ASP 83 2HB ASP 83 8.254 11.238 1.729 631 HB3 ASP 83 3HB ASP 83 7.388 10.084 2.739 632 H ILE 84 H ILE 84 10.576 8.173 4.343 633 HA ILE 84 HA ILE 84 8.740 6.024 3.509 634 HB ILE 84 HB ILE 84 10.650 4.434 3.954 635 HG12 ILE 84 2HG1 ILE 84 12.534 6.687 3.448 636 HG13 ILE 84 3HG1 ILE 84 11.924 6.483 5.087 637 HG21 ILE 84 1HG2 ILE 84 10.835 4.366 1.742 638 HG22 ILE 84 2HG2 ILE 84 9.974 5.902 1.674 639 HG23 ILE 84 3HG2 ILE 84 11.736 5.882 1.721 640 HD11 ILE 84 3HD1 ILE 84 13.833 4.861 3.562 641 HD12 ILE 84 1HD1 ILE 84 13.707 5.146 5.297 642 HD13 ILE 84 2HD1 ILE 84 12.663 3.955 4.521 643 H ASP 85 H ASP 85 8.161 4.502 5.088 644 HA ASP 85 HA ASP 85 7.730 5.478 7.660 645 HB2 ASP 85 2HB ASP 85 6.820 3.339 6.257 646 HB3 ASP 85 3HB ASP 85 7.888 2.539 7.407 647 H GLU 86 H GLU 86 8.529 4.606 9.716 648 HA GLU 86 HA GLU 86 11.377 4.680 9.809 649 HB2 GLU 86 2HB GLU 86 11.126 4.462 12.210 650 HB3 GLU 86 3HB GLU 86 9.947 5.611 11.595 651 HG2 GLU 86 2HG GLU 86 8.233 3.840 11.658 652 HG3 GLU 86 3HG GLU 86 9.424 2.750 12.366 653 H ASN 87 H ASN 87 8.998 2.153 9.744 654 HA ASN 87 HA ASN 87 10.462 0.042 10.843 655 HB2 ASN 87 2HB ASN 87 8.181 0.248 8.928 656 HB3 ASN 87 3HB ASN 87 8.988 -1.308 9.099 657 HD21 ASN 87 1HD2 ASN 87 8.905 -2.386 11.078 658 HD22 ASN 87 2HD2 ASN 87 7.728 -1.992 12.280 659 H MET 88 H MET 88 10.182 1.077 7.448 660 HA MET 88 HA MET 88 12.087 -0.841 6.518 661 HB2 MET 88 2HB MET 88 11.989 0.543 4.402 662 HB3 MET 88 3HB MET 88 10.457 -0.124 4.949 663 HG2 MET 88 2HG MET 88 10.675 2.394 6.155 664 HG3 MET 88 3HG MET 88 11.193 2.602 4.484 665 HE1 MET 88 3HE MET 88 9.944 1.199 2.633 666 HE2 MET 88 1HE MET 88 8.966 -0.058 3.392 667 HE3 MET 88 2HE MET 88 8.186 1.235 2.480 668 H LYS 89 H LYS 89 12.187 2.587 7.351 669 HA LYS 89 HA LYS 89 14.688 3.279 6.410 670 HB2 LYS 89 2HB LYS 89 12.995 4.787 7.521 671 HB3 LYS 89 3HB LYS 89 13.565 4.172 9.067 672 HG2 LYS 89 2HG LYS 89 15.758 5.071 8.678 673 HG3 LYS 89 3HG LYS 89 15.309 5.559 7.042 674 HD2 LYS 89 2HD LYS 89 13.985 6.593 9.547 675 HD3 LYS 89 3HD LYS 89 15.296 7.420 8.702 676 HE2 LYS 89 2HE LYS 89 13.757 7.215 6.629 677 HE3 LYS 89 3HE LYS 89 12.479 6.927 7.809 678 HZ1 LYS 89 3HZ LYS 89 12.852 9.305 7.062 679 HZ2 LYS 89 1HZ LYS 89 14.264 9.278 7.992 680 HZ3 LYS 89 2HZ LYS 89 12.761 9.040 8.730 681 H LYS 90 H LYS 90 13.834 1.522 9.340 682 HA LYS 90 HA LYS 90 16.305 1.543 10.629 683 HB2 LYS 90 2HB LYS 90 13.892 0.501 11.217 684 HB3 LYS 90 3HB LYS 90 14.736 -0.970 10.750 685 HG2 LYS 90 2HG LYS 90 15.897 0.939 12.749 686 HG3 LYS 90 3HG LYS 90 14.748 -0.318 13.216 687 HD2 LYS 90 2HD LYS 90 16.333 -1.927 11.980 688 HD3 LYS 90 3HD LYS 90 17.509 -0.615 12.078 689 HE2 LYS 90 2HE LYS 90 16.844 -0.600 14.604 690 HE3 LYS 90 3HE LYS 90 16.279 -2.235 14.266 691 HZ1 LYS 90 3HZ LYS 90 18.844 -1.491 14.869 692 HZ2 LYS 90 1HZ LYS 90 18.883 -1.778 13.202 693 HZ3 LYS 90 2HZ LYS 90 18.353 -2.989 14.256 694 H VAL 91 H VAL 91 15.045 -0.667 8.163 695 HA VAL 91 HA VAL 91 17.279 -2.408 8.150 696 HB VAL 91 HB VAL 91 16.233 -3.541 6.484 697 HG11 VAL 91 1HG1 VAL 91 13.867 -1.790 7.043 698 HG12 VAL 91 2HG1 VAL 91 13.929 -3.539 6.811 699 HG13 VAL 91 3HG1 VAL 91 14.550 -2.823 8.299 700 HG21 VAL 91 3HG2 VAL 91 16.654 -2.025 4.699 701 HG22 VAL 91 1HG2 VAL 91 14.934 -2.411 4.652 702 HG23 VAL 91 2HG2 VAL 91 15.473 -0.870 5.317 703 H ILE 92 H ILE 92 16.490 0.525 6.371 704 HA ILE 92 HA ILE 92 18.581 0.370 4.478 705 HB ILE 92 HB ILE 92 17.421 2.945 5.518 706 HG12 ILE 92 2HG1 ILE 92 16.200 0.902 3.669 707 HG13 ILE 92 3HG1 ILE 92 15.486 1.647 5.095 708 HG21 ILE 92 1HG2 ILE 92 18.106 3.893 3.544 709 HG22 ILE 92 2HG2 ILE 92 19.379 2.700 3.794 710 HG23 ILE 92 3HG2 ILE 92 18.065 2.363 2.668 711 HD11 ILE 92 3HD1 ILE 92 14.407 2.675 3.320 712 HD12 ILE 92 1HD1 ILE 92 15.648 3.840 3.782 713 HD13 ILE 92 2HD1 ILE 92 15.887 2.809 2.371 714 H LYS 93 H LYS 93 18.333 2.040 7.605 715 HA LYS 93 HA LYS 93 20.903 3.195 7.549 716 HB2 LYS 93 2HB LYS 93 18.991 3.827 9.074 717 HB3 LYS 93 3HB LYS 93 19.363 2.392 10.019 718 HG2 LYS 93 2HG LYS 93 20.357 4.320 11.053 719 HG3 LYS 93 3HG LYS 93 21.630 3.275 10.417 720 HD2 LYS 93 2HD LYS 93 22.123 4.731 8.672 721 HD3 LYS 93 3HD LYS 93 20.557 5.539 8.774 722 HE2 LYS 93 2HE LYS 93 22.350 6.964 9.624 723 HE3 LYS 93 3HE LYS 93 21.206 6.546 10.898 724 HZ1 LYS 93 3HZ LYS 93 22.777 5.491 12.049 725 HZ2 LYS 93 1HZ LYS 93 23.895 6.278 11.053 726 HZ3 LYS 93 2HZ LYS 93 23.399 4.703 10.688 727 H ALA 94 H ALA 94 19.708 0.131 8.855 728 HA ALA 94 HA ALA 94 22.094 -0.687 10.099 729 HB1 ALA 94 1HB ALA 94 20.250 -1.902 10.768 730 HB2 ALA 94 2HB ALA 94 19.660 -2.116 9.119 731 HB3 ALA 94 3HB ALA 94 21.056 -3.035 9.682 732 H THR 95 H THR 95 20.915 -1.036 6.799 733 HA THR 95 HA THR 95 22.924 -2.833 5.920 734 HB THR 95 HB THR 95 21.158 -0.922 4.386 735 HG1 THR 95 HG1 THR 95 19.845 -2.617 4.229 736 HG21 THR 95 3HG2 THR 95 22.514 -1.227 2.637 737 HG22 THR 95 1HG2 THR 95 22.019 -2.919 2.652 738 HG23 THR 95 2HG2 THR 95 23.478 -2.420 3.506 739 H ALA 96 H ALA 96 22.607 0.698 5.745 740 HA ALA 96 HA ALA 96 25.022 1.136 4.333 741 HB1 ALA 96 1HB ALA 96 24.605 3.388 4.579 742 HB2 ALA 96 2HB ALA 96 22.985 2.711 4.741 743 HB3 ALA 96 3HB ALA 96 23.888 3.191 6.178 744 H GLU 97 H GLU 97 24.212 1.325 7.791 745 HA GLU 97 HA GLU 97 26.783 2.077 8.666 746 HB2 GLU 97 2HB GLU 97 25.992 1.774 10.833 747 HB3 GLU 97 3HB GLU 97 24.523 2.118 9.929 748 HG2 GLU 97 2HG GLU 97 23.843 0.335 11.175 749 HG3 GLU 97 3HG GLU 97 24.403 -0.486 9.719 750 H LYS 98 H LYS 98 25.319 -1.033 7.996 751 HA LYS 98 HA LYS 98 27.148 -2.711 9.272 752 HB2 LYS 98 2HB LYS 98 25.052 -3.534 8.337 753 HB3 LYS 98 3HB LYS 98 25.606 -3.162 6.710 754 HG2 LYS 98 2HG LYS 98 26.019 -5.404 6.793 755 HG3 LYS 98 3HG LYS 98 27.572 -4.775 7.347 756 HD2 LYS 98 2HD LYS 98 25.432 -5.384 9.340 757 HD3 LYS 98 3HD LYS 98 26.385 -6.703 8.657 758 HE2 LYS 98 2HE LYS 98 28.419 -5.229 9.295 759 HE3 LYS 98 3HE LYS 98 27.276 -4.400 10.351 760 HZ1 LYS 98 3HZ LYS 98 27.095 -7.232 10.616 761 HZ2 LYS 98 1HZ LYS 98 27.361 -6.057 11.804 762 HZ3 LYS 98 2HZ LYS 98 28.665 -6.687 10.931 763 H PHE 99 H PHE 99 27.271 -1.166 6.104 764 HA PHE 99 HA PHE 99 29.550 -2.507 5.133 765 HB2 PHE 99 2HB PHE 99 28.083 -0.017 4.431 766 HB3 PHE 99 3HB PHE 99 29.724 -0.184 3.818 767 HD1 PHE 99 HD1 PHE 99 30.278 -2.344 2.544 768 HD2 PHE 99 HD2 PHE 99 26.312 -1.009 3.318 769 HE1 PHE 99 HE1 PHE 99 29.449 -3.754 0.706 770 HE2 PHE 99 HE2 PHE 99 25.476 -2.418 1.482 771 HZ PHE 99 HZ PHE 99 27.045 -3.792 0.173 772 H LYS 100 H LYS 100 29.148 0.257 7.233 773 HA LYS 100 HA LYS 100 31.735 1.323 7.094 774 HB2 LYS 100 2HB LYS 100 29.426 1.936 8.457 775 HB3 LYS 100 3HB LYS 100 30.502 1.429 9.752 776 HG2 LYS 100 2HG LYS 100 31.224 3.505 7.699 777 HG3 LYS 100 3HG LYS 100 30.512 3.876 9.271 778 HD2 LYS 100 2HD LYS 100 33.106 2.393 8.844 779 HD3 LYS 100 3HD LYS 100 32.971 4.103 9.259 780 HE2 LYS 100 2HE LYS 100 31.412 2.875 11.164 781 HE3 LYS 100 3HE LYS 100 32.741 1.737 10.949 782 HZ1 LYS 100 3HZ LYS 100 32.968 3.651 12.646 783 HZ2 LYS 100 1HZ LYS 100 33.310 4.604 11.290 784 HZ3 LYS 100 2HZ LYS 100 34.285 3.271 11.654 785 H ASN 101 H ASN 101 30.465 -1.452 8.774 786 HA ASN 101 HA ASN 101 32.529 -1.811 10.654 787 HB2 ASN 101 2HB ASN 101 30.659 -3.791 9.343 788 HB3 ASN 101 3HB ASN 101 31.762 -4.215 10.649 789 HD21 ASN 101 1HD2 ASN 101 29.895 -4.815 11.854 790 HD22 ASN 101 2HD2 ASN 101 28.946 -3.612 12.651 791 H LYS 102 H LYS 102 32.499 -2.150 7.274 792 HA LYS 102 HA LYS 102 34.720 -4.036 7.218 793 HB2 LYS 102 2HB LYS 102 32.646 -3.282 5.405 794 HB3 LYS 102 3HB LYS 102 34.196 -2.961 4.638 795 HG2 LYS 102 2HG LYS 102 33.394 -5.592 5.863 796 HG3 LYS 102 3HG LYS 102 33.320 -5.206 4.142 797 HD2 LYS 102 2HD LYS 102 35.915 -4.664 5.394 798 HD3 LYS 102 3HD LYS 102 35.446 -6.366 5.398 799 HE2 LYS 102 2HE LYS 102 36.209 -6.456 3.306 800 HE3 LYS 102 3HE LYS 102 34.799 -5.501 2.850 801 HZ1 LYS 102 3HZ LYS 102 36.829 -3.814 3.859 802 HZ2 LYS 102 1HZ LYS 102 36.106 -3.810 2.329 803 HZ3 LYS 102 2HZ LYS 102 37.460 -4.780 2.622 804 H GLY 103 H GLY 103 34.290 -0.735 7.526 805 HA2 GLY 103 2HA GLY 103 36.163 0.704 7.887 806 HA3 GLY 103 3HA GLY 103 37.091 -0.277 6.761 807 H PHE 104 H PHE 104 33.929 1.350 6.533 808 HA PHE 104 HA PHE 104 34.991 2.944 4.307 809 HB2 PHE 104 2HB PHE 104 32.436 1.332 4.301 810 HB3 PHE 104 3HB PHE 104 32.797 2.586 3.118 811 HD1 PHE 104 HD2 PHE 104 34.245 -0.533 4.551 812 HD2 PHE 104 HD1 PHE 104 33.851 2.003 1.155 813 HE1 PHE 104 HE2 PHE 104 35.455 -2.182 3.183 814 HE2 PHE 104 HE1 PHE 104 35.060 0.359 -0.218 815 HZ PHE 104 HZ PHE 104 35.863 -1.737 0.795 816 H LYS 105 H LYS 105 32.979 4.488 3.619 817 HA LYS 105 HA LYS 105 32.228 5.851 6.116 818 HB2 LYS 105 2HB LYS 105 33.696 7.130 4.598 819 HB3 LYS 105 3HB LYS 105 32.491 6.986 3.325 820 HG2 LYS 105 2HG LYS 105 32.295 9.154 4.283 821 HG3 LYS 105 3HG LYS 105 30.894 8.210 4.795 822 HD2 LYS 105 2HD LYS 105 31.602 9.324 6.734 823 HD3 LYS 105 3HD LYS 105 32.238 7.686 6.904 824 HE2 LYS 105 2HE LYS 105 33.989 9.153 7.526 825 HE3 LYS 105 3HE LYS 105 34.393 8.546 5.921 826 HZ1 LYS 105 3HZ LYS 105 33.856 11.232 6.776 827 HZ2 LYS 105 1HZ LYS 105 32.968 10.794 5.404 828 HZ3 LYS 105 2HZ LYS 105 34.655 10.679 5.391 829 H VAL 106 H VAL 106 30.136 6.295 6.564 830 HA VAL 106 HA VAL 106 28.133 5.450 4.572 831 HB VAL 106 HB VAL 106 27.808 5.425 7.575 832 HG11 VAL 106 1HG1 VAL 106 25.663 5.585 6.756 833 HG12 VAL 106 2HG1 VAL 106 26.049 4.713 5.271 834 HG13 VAL 106 3HG1 VAL 106 25.886 3.836 6.793 835 HG21 VAL 106 3HG2 VAL 106 28.236 3.076 5.733 836 HG22 VAL 106 1HG2 VAL 106 29.486 3.784 6.756 837 HG23 VAL 106 2HG2 VAL 106 28.066 3.036 7.487 838 H GLU 107 H GLU 107 26.735 6.938 3.891 839 HA GLU 107 HA GLU 107 26.312 9.336 5.544 840 HB2 GLU 107 2HB GLU 107 27.797 10.016 3.789 841 HB3 GLU 107 3HB GLU 107 26.822 9.204 2.572 842 HG2 GLU 107 2HG GLU 107 26.507 11.609 2.492 843 HG3 GLU 107 3HG GLU 107 25.014 10.787 2.941 844 H THR 108 H THR 108 24.256 10.164 5.582 845 HA THR 108 HA THR 108 22.209 8.624 4.122 846 HB THR 108 HB THR 108 20.680 9.307 6.063 847 HG1 THR 108 HG1 THR 108 21.681 9.901 7.953 848 HG21 THR 108 3HG2 THR 108 21.801 7.480 7.568 849 HG22 THR 108 1HG2 THR 108 22.867 7.272 6.179 850 HG23 THR 108 2HG2 THR 108 21.127 7.041 5.999 851 H ASP 109 H ASP 109 20.725 9.728 2.973 852 HA ASP 109 HA ASP 109 20.502 12.627 3.367 853 HB2 ASP 109 2HB ASP 109 22.042 11.749 1.371 854 HB3 ASP 109 3HB ASP 109 20.481 11.624 0.563 855 H MET 110 H MET 110 18.634 13.484 1.925 856 HA MET 110 HA MET 110 16.462 11.521 1.754 857 HB2 MET 110 2HB MET 110 14.941 13.317 2.743 858 HB3 MET 110 3HB MET 110 16.007 12.475 3.858 859 HG2 MET 110 2HG MET 110 17.345 14.311 4.184 860 HG3 MET 110 3HG MET 110 16.908 15.036 2.639 861 HE1 MET 110 3HE MET 110 16.356 17.004 2.794 862 HE2 MET 110 1HE MET 110 14.718 17.526 3.186 863 HE3 MET 110 2HE MET 110 16.026 17.788 4.339 Start of MODEL 5 1 H1 MET 1 H MET 1 0.636 0.075 0.354 2 HA MET 1 HA MET 1 1.409 -0.393 -1.960 3 HB2 MET 1 2HB MET 1 3.197 1.588 -1.928 4 HB3 MET 1 3HB MET 1 1.469 1.878 -1.782 5 HG2 MET 1 2HG MET 1 2.727 3.171 -0.156 6 HG3 MET 1 3HG MET 1 1.672 2.001 0.633 7 HE1 MET 1 3HE MET 1 5.398 0.537 -0.746 8 HE2 MET 1 1HE MET 1 4.923 2.192 -1.130 9 HE3 MET 1 2HE MET 1 6.157 1.891 0.093 10 H THR 2 H THR 2 3.511 -0.299 -3.263 11 HA THR 2 HA THR 2 5.412 -2.166 -2.022 12 HB THR 2 HB THR 2 5.417 -1.630 -4.960 13 HG1 THR 2 HG1 THR 2 3.402 -2.968 -3.507 14 HG21 THR 2 3HG2 THR 2 5.928 -4.034 -3.212 15 HG22 THR 2 1HG2 THR 2 7.112 -3.102 -4.127 16 HG23 THR 2 2HG2 THR 2 5.919 -4.087 -4.974 17 H LEU 3 H LEU 3 7.383 -1.482 -1.518 18 HA LEU 3 HA LEU 3 8.396 0.958 -2.824 19 HB2 LEU 3 2HB LEU 3 7.903 0.523 -0.126 20 HB3 LEU 3 3HB LEU 3 9.647 0.332 -0.286 21 HG LEU 3 HG LEU 3 9.921 2.554 -1.033 22 HD11 LEU 3 1HD1 LEU 3 7.149 2.267 -1.854 23 HD12 LEU 3 2HD1 LEU 3 8.411 3.330 -2.474 24 HD13 LEU 3 3HD1 LEU 3 7.471 3.809 -1.061 25 HD21 LEU 3 3HD2 LEU 3 8.401 2.020 1.377 26 HD22 LEU 3 1HD2 LEU 3 8.135 3.655 0.770 27 HD23 LEU 3 2HD2 LEU 3 9.772 3.100 1.120 28 H CYS 4 H CYS 4 10.208 0.744 -3.956 29 HA CYS 4 HA CYS 4 11.921 -1.594 -3.421 30 HB2 CYS 4 2HB CYS 4 11.649 -0.254 -6.108 31 HB3 CYS 4 3HB CYS 4 12.363 -1.820 -5.743 32 HG CYS 4 HG CYS 4 9.051 -1.302 -5.163 33 H ALA 5 H ALA 5 14.200 -1.320 -3.947 34 HA ALA 5 HA ALA 5 15.130 1.456 -4.030 35 HB1 ALA 5 1HB ALA 5 16.765 -0.064 -2.210 36 HB2 ALA 5 2HB ALA 5 15.947 1.479 -1.964 37 HB3 ALA 5 3HB ALA 5 15.086 -0.031 -1.669 38 H MET 6 H MET 6 17.048 1.757 -5.088 39 HA MET 6 HA MET 6 18.350 -0.662 -6.155 40 HB2 MET 6 2HB MET 6 18.814 0.558 -8.211 41 HB3 MET 6 3HB MET 6 17.085 0.538 -7.890 42 HG2 MET 6 2HG MET 6 17.526 2.838 -6.776 43 HG3 MET 6 3HG MET 6 19.012 2.808 -7.722 44 HE1 MET 6 3HE MET 6 18.846 3.647 -10.582 45 HE2 MET 6 1HE MET 6 18.978 1.957 -10.095 46 HE3 MET 6 2HE MET 6 17.790 2.434 -11.307 47 H TYR 7 H TYR 7 20.451 -0.867 -5.731 48 HA TYR 7 HA TYR 7 21.938 1.528 -4.872 49 HB2 TYR 7 2HB TYR 7 23.094 0.259 -3.238 50 HB3 TYR 7 3HB TYR 7 21.398 -0.177 -3.062 51 HD1 TYR 7 HD1 TYR 7 20.660 -2.299 -4.457 52 HD2 TYR 7 HD2 TYR 7 24.665 -1.434 -3.312 53 HE1 TYR 7 HE1 TYR 7 21.240 -4.675 -4.712 54 HE2 TYR 7 HE2 TYR 7 25.257 -3.807 -3.565 55 HH TYR 7 HH TYR 7 23.090 -6.239 -3.686 56 H ASN 8 H ASN 8 24.064 1.743 -5.550 57 HA ASN 8 HA ASN 8 24.894 -0.118 -7.680 58 HB2 ASN 8 2HB ASN 8 24.385 2.018 -8.655 59 HB3 ASN 8 3HB ASN 8 25.328 2.863 -7.430 60 HD21 ASN 8 1HD2 ASN 8 25.339 1.609 -10.512 61 HD22 ASN 8 2HD2 ASN 8 27.042 1.625 -10.802 62 H ILE 9 H ILE 9 26.827 -1.077 -7.503 63 HA ILE 9 HA ILE 9 28.597 -0.187 -5.320 64 HB ILE 9 HB ILE 9 29.480 -2.619 -5.528 65 HG12 ILE 9 2HG1 ILE 9 26.732 -2.866 -6.769 66 HG13 ILE 9 3HG1 ILE 9 28.268 -3.236 -7.544 67 HG21 ILE 9 1HG2 ILE 9 28.448 -2.908 -3.574 68 HG22 ILE 9 2HG2 ILE 9 27.650 -1.366 -3.878 69 HG23 ILE 9 3HG2 ILE 9 26.853 -2.874 -4.326 70 HD11 ILE 9 3HD1 ILE 9 28.080 -5.321 -6.848 71 HD12 ILE 9 1HD1 ILE 9 28.154 -4.759 -5.179 72 HD13 ILE 9 2HD1 ILE 9 26.594 -4.924 -5.986 73 H SER 10 H SER 10 30.612 0.405 -5.812 74 HA SER 10 HA SER 10 31.567 -0.110 -8.551 75 HB2 SER 10 2HB SER 10 31.131 2.311 -7.701 76 HB3 SER 10 3HB SER 10 32.635 2.093 -6.808 77 HG SER 10 HG SER 10 33.406 2.806 -8.662 78 H MET 11 H MET 11 33.239 -1.432 -8.750 79 HA MET 11 HA MET 11 34.721 -2.254 -6.397 80 HB2 MET 11 2HB MET 11 35.794 -3.869 -7.985 81 HB3 MET 11 3HB MET 11 34.046 -4.015 -7.870 82 HG2 MET 11 2HG MET 11 34.236 -4.102 -10.115 83 HG3 MET 11 3HG MET 11 34.162 -2.351 -9.934 84 HE1 MET 11 3HE MET 11 35.377 -3.336 -12.679 85 HE2 MET 11 1HE MET 11 35.175 -1.698 -12.057 86 HE3 MET 11 2HE MET 11 36.735 -2.210 -12.700 87 H ALA 12 H ALA 12 34.993 0.222 -8.549 88 HA ALA 12 HA ALA 12 37.497 1.074 -7.685 89 HB1 ALA 12 1HB ALA 12 38.019 0.408 -10.474 90 HB2 ALA 12 2HB ALA 12 39.041 0.213 -9.050 91 HB3 ALA 12 3HB ALA 12 37.831 -1.009 -9.441 92 H GLY 13 H GLY 13 38.440 2.413 -9.970 93 HA2 GLY 13 2HA GLY 13 36.449 4.507 -10.142 94 HA3 GLY 13 3HA GLY 13 38.084 4.562 -10.785 95 H SER 14 H SER 14 36.327 1.769 -11.628 96 HA SER 14 HA SER 14 35.950 2.843 -14.339 97 HB2 SER 14 2HB SER 14 37.462 0.829 -13.959 98 HB3 SER 14 3HB SER 14 36.001 -0.076 -13.563 99 HG SER 14 HG SER 14 36.815 -0.059 -15.850 100 H HIS 15 H HIS 15 34.078 2.056 -15.560 101 HA HIS 15 HA HIS 15 31.669 2.706 -14.672 102 HB2 HIS 15 2HB HIS 15 30.674 0.940 -16.173 103 HB3 HIS 15 3HB HIS 15 31.896 1.958 -16.931 104 HD1 HIS 15 HD1 HIS 15 31.072 -1.535 -16.188 105 HD2 HIS 15 HD2 HIS 15 34.444 0.632 -17.282 106 HE1 HIS 15 HE1 HIS 15 32.738 -3.242 -16.985 107 HA PRO 16 HA PRO 16 31.173 -0.004 -11.114 108 HB2 PRO 16 2HB PRO 16 29.053 1.352 -10.095 109 HB3 PRO 16 3HB PRO 16 30.725 1.887 -9.888 110 HG2 PRO 16 2HG PRO 16 28.664 2.826 -11.845 111 HG3 PRO 16 3HG PRO 16 29.815 3.778 -10.889 112 HD2 PRO 16 2HD PRO 16 30.225 3.191 -13.500 113 HD3 PRO 16 3HD PRO 16 31.557 3.361 -12.339 114 H THR 17 H THR 17 28.816 -0.663 -10.078 115 HA THR 17 HA THR 17 27.183 -1.659 -12.318 116 HB THR 17 HB THR 17 27.590 -3.308 -9.843 117 HG1 THR 17 HG1 THR 17 29.653 -3.277 -10.498 118 HG21 THR 17 3HG2 THR 17 27.003 -5.140 -11.340 119 HG22 THR 17 1HG2 THR 17 26.937 -4.025 -12.704 120 HG23 THR 17 2HG2 THR 17 25.767 -3.883 -11.393 121 H THR 18 H THR 18 25.073 -1.270 -12.134 122 HA THR 18 HA THR 18 24.065 -0.308 -9.544 123 HB THR 18 HB THR 18 22.529 0.043 -12.088 124 HG1 THR 18 HG1 THR 18 23.741 1.865 -12.586 125 HG21 THR 18 3HG2 THR 18 22.575 1.154 -9.376 126 HG22 THR 18 1HG2 THR 18 21.250 1.048 -10.534 127 HG23 THR 18 2HG2 THR 18 22.417 2.365 -10.648 128 H ILE 19 H ILE 19 22.238 -1.168 -8.623 129 HA ILE 19 HA ILE 19 20.906 -3.382 -10.009 130 HB ILE 19 HB ILE 19 22.454 -3.555 -7.495 131 HG12 ILE 19 2HG1 ILE 19 21.708 -5.359 -9.783 132 HG13 ILE 19 3HG1 ILE 19 23.307 -4.816 -9.284 133 HG21 ILE 19 1HG2 ILE 19 19.809 -4.964 -7.829 134 HG22 ILE 19 2HG2 ILE 19 21.004 -5.322 -6.584 135 HG23 ILE 19 3HG2 ILE 19 20.205 -3.751 -6.612 136 HD11 ILE 19 3HD1 ILE 19 21.559 -6.790 -7.834 137 HD12 ILE 19 1HD1 ILE 19 23.009 -7.153 -8.770 138 HD13 ILE 19 2HD1 ILE 19 23.133 -6.219 -7.279 139 H CYS 20 H CYS 20 18.752 -3.577 -9.594 140 HA CYS 20 HA CYS 20 17.600 -1.769 -7.577 141 HB2 CYS 20 2HB CYS 20 15.664 -1.476 -9.181 142 HB3 CYS 20 3HB CYS 20 17.169 -0.705 -9.664 143 HG CYS 20 HG CYS 20 16.126 -3.726 -10.883 144 H VAL 21 H VAL 21 16.581 -2.900 -6.074 145 HA VAL 21 HA VAL 21 14.906 -5.164 -6.875 146 HB VAL 21 HB VAL 21 15.717 -6.554 -5.036 147 HG11 VAL 21 1HG1 VAL 21 16.729 -7.026 -7.115 148 HG12 VAL 21 2HG1 VAL 21 17.771 -5.605 -7.018 149 HG13 VAL 21 3HG1 VAL 21 18.045 -6.976 -5.943 150 HG21 VAL 21 3HG2 VAL 21 17.839 -4.447 -4.635 151 HG22 VAL 21 1HG2 VAL 21 16.457 -4.706 -3.571 152 HG23 VAL 21 2HG2 VAL 21 17.679 -5.965 -3.751 153 H VAL 22 H VAL 22 13.189 -5.617 -5.459 154 HA VAL 22 HA VAL 22 12.083 -3.385 -4.140 155 HB VAL 22 HB VAL 22 10.284 -4.820 -3.465 156 HG11 VAL 22 1HG1 VAL 22 11.126 -4.525 -6.089 157 HG12 VAL 22 2HG1 VAL 22 10.713 -6.236 -5.957 158 HG13 VAL 22 3HG1 VAL 22 9.517 -5.005 -5.549 159 HG21 VAL 22 3HG2 VAL 22 12.270 -7.014 -3.925 160 HG22 VAL 22 1HG2 VAL 22 11.250 -6.708 -2.519 161 HG23 VAL 22 2HG2 VAL 22 10.539 -7.337 -4.005 162 H MET 23 H MET 23 11.542 -3.150 -1.894 163 HA MET 23 HA MET 23 13.671 -3.392 -0.146 164 HB2 MET 23 2HB MET 23 11.865 -1.846 0.282 165 HB3 MET 23 3HB MET 23 10.719 -3.168 0.457 166 HG2 MET 23 2HG MET 23 12.828 -3.610 2.290 167 HG3 MET 23 3HG MET 23 12.325 -1.928 2.437 168 HE1 MET 23 3HE MET 23 11.599 -4.664 4.836 169 HE2 MET 23 1HE MET 23 10.424 -5.634 3.948 170 HE3 MET 23 2HE MET 23 12.015 -5.323 3.253 171 H ASP 24 H ASP 24 11.026 -5.622 -0.760 172 HA ASP 24 HA ASP 24 11.340 -7.339 1.412 173 HB2 ASP 24 2HB ASP 24 10.611 -8.244 -1.373 174 HB3 ASP 24 3HB ASP 24 10.108 -8.951 0.160 175 H ARG 25 H ARG 25 13.062 -7.200 -1.659 176 HA ARG 25 HA ARG 25 14.776 -9.419 -0.777 177 HB2 ARG 25 2HB ARG 25 13.865 -8.441 -3.406 178 HB3 ARG 25 3HB ARG 25 15.555 -8.924 -3.336 179 HG2 ARG 25 2HG ARG 25 14.294 -10.807 -4.041 180 HG3 ARG 25 3HG ARG 25 14.809 -11.106 -2.380 181 HD2 ARG 25 2HD ARG 25 12.469 -9.984 -1.848 182 HD3 ARG 25 3HD ARG 25 12.096 -10.570 -3.468 183 HE ARG 25 HE ARG 25 12.322 -12.131 -1.104 184 HH11 ARG 25 1HH1 ARG 25 12.911 -12.187 -4.535 185 HH12 ARG 25 2HH1 ARG 25 12.759 -13.908 -4.665 186 HH21 ARG 25 1HH2 ARG 25 12.120 -14.398 -1.263 187 HH22 ARG 25 2HH2 ARG 25 12.308 -15.164 -2.804 188 H PHE 26 H PHE 26 14.675 -6.076 -0.946 189 HA PHE 26 HA PHE 26 17.327 -5.446 -1.669 190 HB2 PHE 26 2HB PHE 26 15.397 -3.831 -1.533 191 HB3 PHE 26 3HB PHE 26 15.564 -3.879 0.219 192 HD1 PHE 26 HD1 PHE 26 18.230 -3.824 -2.363 193 HD2 PHE 26 HD2 PHE 26 16.252 -1.730 0.771 194 HE1 PHE 26 HE1 PHE 26 19.930 -2.049 -2.481 195 HE2 PHE 26 HE2 PHE 26 17.948 0.048 0.658 196 HZ PHE 26 HZ PHE 26 19.791 -0.110 -0.968 197 H LEU 27 H LEU 27 15.805 -6.043 1.475 198 HA LEU 27 HA LEU 27 18.011 -5.482 3.094 199 HB2 LEU 27 2HB LEU 27 15.651 -5.855 3.839 200 HB3 LEU 27 3HB LEU 27 15.916 -7.583 3.613 201 HG LEU 27 HG LEU 27 17.717 -6.046 5.435 202 HD11 LEU 27 1HD1 LEU 27 14.962 -5.993 5.764 203 HD12 LEU 27 2HD1 LEU 27 16.181 -5.671 6.996 204 HD13 LEU 27 3HD1 LEU 27 15.509 -7.292 6.825 205 HD21 LEU 27 3HD2 LEU 27 18.518 -8.153 5.426 206 HD22 LEU 27 1HD2 LEU 27 16.989 -8.848 4.885 207 HD23 LEU 27 2HD2 LEU 27 17.217 -8.433 6.585 208 H GLU 28 H GLU 28 16.939 -8.585 1.721 209 HA GLU 28 HA GLU 28 19.142 -10.060 2.751 210 HB2 GLU 28 2HB GLU 28 18.391 -11.796 1.078 211 HB3 GLU 28 3HB GLU 28 17.171 -11.279 2.234 212 HG2 GLU 28 2HG GLU 28 16.135 -9.868 0.580 213 HG3 GLU 28 3HG GLU 28 17.411 -10.238 -0.579 214 H SER 29 H SER 29 18.433 -8.598 -0.396 215 HA SER 29 HA SER 29 20.622 -9.548 -1.822 216 HB2 SER 29 2HB SER 29 18.927 -8.432 -3.047 217 HB3 SER 29 3HB SER 29 19.040 -6.988 -2.042 218 HG SER 29 HG SER 29 20.086 -6.894 -4.169 219 H PHE 30 H PHE 30 20.331 -6.443 -0.093 220 HA PHE 30 HA PHE 30 22.974 -5.609 -0.487 221 HB2 PHE 30 2HB PHE 30 20.701 -4.608 0.804 222 HB3 PHE 30 3HB PHE 30 21.927 -4.717 2.063 223 HD1 PHE 30 HD1 PHE 30 24.318 -4.225 0.229 224 HD2 PHE 30 HD2 PHE 30 20.574 -2.250 0.671 225 HE1 PHE 30 HE1 PHE 30 25.330 -2.133 -0.578 226 HE2 PHE 30 HE2 PHE 30 21.580 -0.154 -0.136 227 HZ PHE 30 HZ PHE 30 23.961 -0.094 -0.760 228 H SER 31 H SER 31 21.501 -7.334 2.249 229 HA SER 31 HA SER 31 23.725 -7.494 3.899 230 HB2 SER 31 2HB SER 31 21.291 -8.231 4.344 231 HB3 SER 31 3HB SER 31 21.773 -9.772 3.634 232 HG SER 31 HG SER 31 22.037 -9.764 5.903 233 H GLU 32 H GLU 32 22.707 -9.686 1.303 234 HA GLU 32 HA GLU 32 24.877 -11.497 1.658 235 HB2 GLU 32 2HB GLU 32 22.675 -12.032 0.552 236 HB3 GLU 32 3HB GLU 32 23.223 -11.103 -0.836 237 HG2 GLU 32 2HG GLU 32 23.594 -13.422 -1.265 238 HG3 GLU 32 3HG GLU 32 25.155 -12.632 -1.045 239 H LEU 33 H LEU 33 24.282 -8.747 -0.476 240 HA LEU 33 HA LEU 33 26.483 -9.004 -2.162 241 HB2 LEU 33 2HB LEU 33 24.653 -7.426 -2.535 242 HB3 LEU 33 3HB LEU 33 25.185 -6.478 -1.147 243 HG LEU 33 HG LEU 33 25.770 -5.696 -3.555 244 HD11 LEU 33 1HD1 LEU 33 27.503 -4.442 -2.692 245 HD12 LEU 33 2HD1 LEU 33 28.109 -5.767 -1.699 246 HD13 LEU 33 3HD1 LEU 33 26.635 -4.920 -1.233 247 HD21 LEU 33 3HD2 LEU 33 27.488 -6.687 -4.672 248 HD22 LEU 33 1HD2 LEU 33 26.824 -8.111 -3.871 249 HD23 LEU 33 2HD2 LEU 33 28.240 -7.302 -3.199 250 H TYR 34 H TYR 34 26.232 -7.647 1.069 251 HA TYR 34 HA TYR 34 28.780 -6.427 1.146 252 HB2 TYR 34 2HB TYR 34 27.194 -5.748 2.780 253 HB3 TYR 34 3HB TYR 34 26.915 -7.404 3.306 254 HD1 TYR 34 HD1 TYR 34 28.491 -8.523 4.785 255 HD2 TYR 34 HD2 TYR 34 29.148 -4.513 3.524 256 HE1 TYR 34 HE1 TYR 34 30.182 -8.251 6.550 257 HE2 TYR 34 HE2 TYR 34 30.842 -4.230 5.284 258 HH TYR 34 HH TYR 34 31.127 -5.996 7.862 259 H ASP 35 H ASP 35 27.675 -9.692 1.696 260 HA ASP 35 HA ASP 35 30.095 -10.600 2.936 261 HB2 ASP 35 2HB ASP 35 27.496 -11.652 2.445 262 HB3 ASP 35 3HB ASP 35 28.667 -12.767 1.745 263 H ILE 36 H ILE 36 28.842 -10.445 -0.330 264 HA ILE 36 HA ILE 36 31.091 -11.972 -1.378 265 HB ILE 36 HB ILE 36 28.972 -12.447 -2.404 266 HG12 ILE 36 2HG1 ILE 36 31.225 -11.924 -3.789 267 HG13 ILE 36 3HG1 ILE 36 29.746 -12.509 -4.543 268 HG21 ILE 36 1HG2 ILE 36 27.777 -10.650 -3.692 269 HG22 ILE 36 2HG2 ILE 36 27.719 -10.486 -1.938 270 HG23 ILE 36 3HG2 ILE 36 28.818 -9.480 -2.881 271 HD11 ILE 36 3HD1 ILE 36 30.311 -9.582 -4.271 272 HD12 ILE 36 1HD1 ILE 36 30.940 -10.531 -5.617 273 HD13 ILE 36 2HD1 ILE 36 29.199 -10.400 -5.368 274 H ILE 37 H ILE 37 30.234 -8.735 -0.766 275 HA ILE 37 HA ILE 37 31.460 -7.314 -2.801 276 HB ILE 37 HB ILE 37 30.135 -6.395 -0.829 277 HG12 ILE 37 2HG1 ILE 37 31.486 -4.243 -0.821 278 HG13 ILE 37 3HG1 ILE 37 32.685 -5.094 -1.789 279 HG21 ILE 37 1HG2 ILE 37 32.043 -7.521 0.700 280 HG22 ILE 37 2HG2 ILE 37 32.656 -5.871 0.601 281 HG23 ILE 37 3HG2 ILE 37 31.036 -6.173 1.227 282 HD11 ILE 37 3HD1 ILE 37 30.002 -4.103 -2.527 283 HD12 ILE 37 1HD1 ILE 37 31.500 -4.134 -3.456 284 HD13 ILE 37 2HD1 ILE 37 30.545 -5.605 -3.273 285 H ASP 38 H ASP 38 32.884 -9.240 -0.325 286 HA ASP 38 HA ASP 38 35.514 -8.048 -0.607 287 HB2 ASP 38 2HB ASP 38 34.541 -10.434 0.976 288 HB3 ASP 38 3HB ASP 38 36.201 -9.845 0.991 289 H GLU 39 H GLU 39 35.029 -8.686 -3.053 290 HA GLU 39 HA GLU 39 36.626 -11.095 -3.530 291 HB2 GLU 39 2HB GLU 39 33.947 -10.473 -4.759 292 HB3 GLU 39 3HB GLU 39 35.094 -11.563 -5.525 293 HG2 GLU 39 2HG GLU 39 34.993 -12.548 -2.985 294 HG3 GLU 39 3HG GLU 39 33.341 -11.985 -3.229 295 H ASN 40 H ASN 40 35.116 -8.236 -5.005 296 HA ASN 40 HA ASN 40 35.900 -6.705 -6.495 297 HB2 ASN 40 2HB ASN 40 37.934 -6.916 -4.887 298 HB3 ASN 40 3HB ASN 40 38.675 -7.819 -6.205 299 HD21 ASN 40 1HD2 ASN 40 36.717 -4.871 -5.893 300 HD22 ASN 40 2HD2 ASN 40 37.750 -3.882 -6.863 301 H ASP 41 H ASP 41 35.453 -9.717 -7.120 302 HA ASP 41 HA ASP 41 36.923 -9.947 -9.627 303 HB2 ASP 41 2HB ASP 41 35.195 -11.810 -8.026 304 HB3 ASP 41 3HB ASP 41 35.563 -12.164 -9.711 305 H THR 42 H THR 42 36.071 -9.643 -11.601 306 HA THR 42 HA THR 42 33.600 -8.271 -11.867 307 HB THR 42 HB THR 42 34.025 -8.200 -14.215 308 HG1 THR 42 HG1 THR 42 35.189 -9.688 -15.250 309 HG21 THR 42 3HG2 THR 42 35.685 -7.099 -12.482 310 HG22 THR 42 1HG2 THR 42 36.001 -7.029 -14.215 311 HG23 THR 42 2HG2 THR 42 36.833 -8.219 -13.214 312 H ASP 43 H ASP 43 34.637 -11.577 -12.583 313 HA ASP 43 HA ASP 43 32.228 -12.412 -13.802 314 HB2 ASP 43 2HB ASP 43 34.605 -13.787 -12.630 315 HB3 ASP 43 3HB ASP 43 33.157 -14.742 -12.940 316 H VAL 44 H VAL 44 33.407 -12.594 -10.466 317 HA VAL 44 HA VAL 44 31.139 -13.994 -9.465 318 HB VAL 44 HB VAL 44 33.191 -12.322 -8.009 319 HG11 VAL 44 1HG1 VAL 44 30.724 -13.454 -7.099 320 HG12 VAL 44 2HG1 VAL 44 32.078 -14.267 -6.311 321 HG13 VAL 44 3HG1 VAL 44 31.916 -12.514 -6.202 322 HG21 VAL 44 3HG2 VAL 44 33.551 -14.700 -9.318 323 HG22 VAL 44 1HG2 VAL 44 34.537 -14.111 -7.979 324 HG23 VAL 44 2HG2 VAL 44 33.205 -15.225 -7.670 325 H MET 45 H MET 45 32.032 -10.584 -9.669 326 HA MET 45 HA MET 45 29.814 -9.630 -8.160 327 HB2 MET 45 2HB MET 45 31.849 -8.370 -9.960 328 HB3 MET 45 3HB MET 45 30.446 -7.440 -9.453 329 HG2 MET 45 2HG MET 45 31.155 -8.239 -7.067 330 HG3 MET 45 3HG MET 45 32.721 -8.473 -7.839 331 HE1 MET 45 3HE MET 45 29.780 -6.224 -7.389 332 HE2 MET 45 1HE MET 45 30.435 -4.605 -7.144 333 HE3 MET 45 2HE MET 45 30.227 -5.234 -8.779 334 H MET 46 H MET 46 30.476 -9.889 -11.640 335 HA MET 46 HA MET 46 28.018 -8.768 -12.480 336 HB2 MET 46 2HB MET 46 28.608 -9.466 -14.666 337 HB3 MET 46 3HB MET 46 30.122 -9.059 -13.867 338 HG2 MET 46 2HG MET 46 30.756 -11.017 -14.784 339 HG3 MET 46 3HG MET 46 30.057 -11.653 -13.297 340 HE1 MET 46 3HE MET 46 28.217 -11.814 -17.499 341 HE2 MET 46 1HE MET 46 29.066 -10.428 -16.814 342 HE3 MET 46 2HE MET 46 29.952 -11.905 -17.191 343 H ASP 47 H ASP 47 29.044 -12.052 -11.746 344 HA ASP 47 HA ASP 47 26.678 -13.311 -12.721 345 HB2 ASP 47 2HB ASP 47 28.631 -14.663 -12.562 346 HB3 ASP 47 3HB ASP 47 28.882 -14.226 -10.874 347 H PHE 48 H PHE 48 27.769 -12.228 -9.534 348 HA PHE 48 HA PHE 48 25.479 -13.210 -8.147 349 HB2 PHE 48 2HB PHE 48 27.497 -12.885 -6.895 350 HB3 PHE 48 3HB PHE 48 27.607 -11.202 -7.398 351 HD1 PHE 48 HD2 PHE 48 26.029 -9.535 -6.483 352 HD2 PHE 48 HD1 PHE 48 26.153 -13.544 -5.058 353 HE1 PHE 48 HE2 PHE 48 24.794 -8.854 -4.467 354 HE2 PHE 48 HE1 PHE 48 24.917 -12.869 -3.040 355 HZ PHE 48 HZ PHE 48 24.238 -10.521 -2.742 356 H ILE 49 H ILE 49 26.444 -10.023 -9.366 357 HA ILE 49 HA ILE 49 24.239 -8.583 -8.397 358 HB ILE 49 HB ILE 49 26.315 -8.130 -10.451 359 HG12 ILE 49 2HG1 ILE 49 26.336 -5.893 -9.260 360 HG13 ILE 49 3HG1 ILE 49 25.096 -6.539 -8.190 361 HG21 ILE 49 1HG2 ILE 49 25.093 -6.021 -11.177 362 HG22 ILE 49 2HG2 ILE 49 24.518 -7.546 -11.849 363 HG23 ILE 49 3HG2 ILE 49 23.635 -6.775 -10.532 364 HD11 ILE 49 3HD1 ILE 49 27.983 -7.137 -8.336 365 HD12 ILE 49 1HD1 ILE 49 26.912 -7.021 -6.939 366 HD13 ILE 49 2HD1 ILE 49 26.905 -8.474 -7.938 367 H SER 50 H SER 50 24.786 -10.096 -11.571 368 HA SER 50 HA SER 50 22.303 -9.379 -12.686 369 HB2 SER 50 2HB SER 50 24.434 -10.320 -13.836 370 HB3 SER 50 3HB SER 50 23.754 -11.901 -13.450 371 HG SER 50 HG SER 50 22.204 -11.602 -14.879 372 H ARG 51 H ARG 51 23.330 -12.157 -10.783 373 HA ARG 51 HA ARG 51 20.887 -13.605 -11.109 374 HB2 ARG 51 2HB ARG 51 22.969 -14.765 -10.590 375 HB3 ARG 51 3HB ARG 51 23.097 -13.895 -9.068 376 HG2 ARG 51 2HG ARG 51 21.152 -15.005 -8.205 377 HG3 ARG 51 3HG ARG 51 20.850 -15.772 -9.765 378 HD2 ARG 51 2HD ARG 51 23.029 -16.932 -9.564 379 HD3 ARG 51 3HD ARG 51 23.220 -16.230 -7.958 380 HE ARG 51 HE ARG 51 20.806 -17.508 -7.874 381 HH11 ARG 51 1HH1 ARG 51 24.074 -18.443 -8.625 382 HH12 ARG 51 2HH1 ARG 51 23.874 -20.073 -8.073 383 HH21 ARG 51 1HH2 ARG 51 20.529 -19.651 -7.144 384 HH22 ARG 51 2HH2 ARG 51 21.856 -20.759 -7.232 385 H PHE 52 H PHE 52 22.054 -11.174 -8.915 386 HA PHE 52 HA PHE 52 19.777 -11.559 -7.123 387 HB2 PHE 52 2HB PHE 52 22.382 -10.122 -6.942 388 HB3 PHE 52 3HB PHE 52 21.035 -9.508 -5.988 389 HD1 PHE 52 HD1 PHE 52 22.293 -12.923 -6.824 390 HD2 PHE 52 HD2 PHE 52 21.201 -10.139 -3.796 391 HE1 PHE 52 HE1 PHE 52 22.743 -14.623 -5.104 392 HE2 PHE 52 HE2 PHE 52 21.650 -11.834 -2.070 393 HZ PHE 52 HZ PHE 52 22.421 -14.080 -2.723 394 H ALA 53 H ALA 53 20.490 -9.887 -9.899 395 HA ALA 53 HA ALA 53 18.913 -7.524 -9.233 396 HB1 ALA 53 1HB ALA 53 20.722 -8.284 -11.467 397 HB2 ALA 53 2HB ALA 53 19.473 -7.075 -11.769 398 HB3 ALA 53 3HB ALA 53 20.672 -6.807 -10.504 399 H ARG 54 H ARG 54 17.065 -6.900 -10.457 400 HA ARG 54 HA ARG 54 15.776 -9.028 -12.010 401 HB2 ARG 54 2HB ARG 54 14.487 -7.510 -9.735 402 HB3 ARG 54 3HB ARG 54 13.630 -8.568 -10.847 403 HG2 ARG 54 2HG ARG 54 13.999 -10.191 -9.378 404 HG3 ARG 54 3HG ARG 54 15.682 -10.152 -9.908 405 HD2 ARG 54 2HD ARG 54 16.311 -9.489 -7.886 406 HD3 ARG 54 3HD ARG 54 15.298 -8.053 -8.036 407 HE ARG 54 HE ARG 54 14.735 -10.417 -6.511 408 HH11 ARG 54 1HH1 ARG 54 13.332 -7.710 -8.192 409 HH12 ARG 54 2HH1 ARG 54 11.866 -7.730 -7.270 410 HH21 ARG 54 1HH2 ARG 54 12.809 -10.453 -5.290 411 HH22 ARG 54 2HH2 ARG 54 11.570 -9.290 -5.618 412 H THR 55 H THR 55 14.966 -8.295 -13.860 413 HA THR 55 HA THR 55 15.070 -5.499 -14.485 414 HB THR 55 HB THR 55 14.332 -6.125 -16.708 415 HG1 THR 55 HG1 THR 55 13.350 -7.993 -17.114 416 HG21 THR 55 3HG2 THR 55 16.005 -8.390 -16.629 417 HG22 THR 55 1HG2 THR 55 16.590 -7.293 -15.379 418 HG23 THR 55 2HG2 THR 55 16.448 -6.735 -17.047 419 H ASP 56 H ASP 56 13.490 -5.096 -12.613 420 HA ASP 56 HA ASP 56 10.767 -5.024 -13.730 421 HB2 ASP 56 2HB ASP 56 11.386 -5.356 -10.792 422 HB3 ASP 56 3HB ASP 56 9.811 -5.459 -11.575 423 H GLU 57 H GLU 57 9.410 -3.292 -12.804 424 HA GLU 57 HA GLU 57 11.016 -0.978 -11.940 425 HB2 GLU 57 2HB GLU 57 8.631 -0.842 -13.788 426 HB3 GLU 57 3HB GLU 57 9.696 0.479 -13.330 427 HG2 GLU 57 2HG GLU 57 11.553 -0.643 -14.485 428 HG3 GLU 57 3HG GLU 57 10.445 -1.918 -14.988 429 H ILE 58 H ILE 58 9.018 0.841 -11.541 430 HA ILE 58 HA ILE 58 7.497 -0.395 -9.344 431 HB ILE 58 HB ILE 58 7.314 2.198 -8.735 432 HG12 ILE 58 2HG1 ILE 58 9.536 3.262 -9.165 433 HG13 ILE 58 3HG1 ILE 58 9.921 1.928 -10.247 434 HG21 ILE 58 1HG2 ILE 58 8.831 1.790 -7.033 435 HG22 ILE 58 2HG2 ILE 58 8.333 0.165 -7.500 436 HG23 ILE 58 3HG2 ILE 58 9.876 0.809 -8.061 437 HD11 ILE 58 3HD1 ILE 58 8.435 2.628 -11.853 438 HD12 ILE 58 1HD1 ILE 58 7.448 3.528 -10.701 439 HD13 ILE 58 2HD1 ILE 58 9.016 4.161 -11.202 440 H MET 59 H MET 59 5.335 -0.330 -9.358 441 HA MET 59 HA MET 59 3.969 0.655 -11.676 442 HB2 MET 59 2HB MET 59 3.345 -1.027 -9.371 443 HB3 MET 59 3HB MET 59 2.012 0.025 -9.828 444 HG2 MET 59 2HG MET 59 2.411 -0.839 -12.209 445 HG3 MET 59 3HG MET 59 3.354 -2.111 -11.435 446 HE1 MET 59 3HE MET 59 0.392 -4.358 -12.018 447 HE2 MET 59 1HE MET 59 0.838 -3.123 -13.196 448 HE3 MET 59 2HE MET 59 2.092 -3.980 -12.300 449 HA PRO 60 HA PRO 60 2.568 4.598 -10.360 450 HB2 PRO 60 2HB PRO 60 -0.053 4.615 -11.068 451 HB3 PRO 60 3HB PRO 60 1.261 4.689 -12.248 452 HG2 PRO 60 2HG PRO 60 -0.379 2.339 -11.384 453 HG3 PRO 60 3HG PRO 60 0.131 2.808 -13.017 454 HD2 PRO 60 2HD PRO 60 1.386 0.873 -11.597 455 HD3 PRO 60 3HD PRO 60 2.242 1.921 -12.747 456 H GLU 61 H GLU 61 0.941 1.802 -9.106 457 HA GLU 61 HA GLU 61 -0.519 3.309 -7.100 458 HB2 GLU 61 2HB GLU 61 -1.548 1.280 -6.502 459 HB3 GLU 61 3HB GLU 61 -1.365 1.191 -8.248 460 HG2 GLU 61 2HG GLU 61 0.899 -0.003 -7.581 461 HG3 GLU 61 3HG GLU 61 -0.012 -0.357 -6.114 462 H ASP 62 H ASP 62 2.541 1.855 -7.452 463 HA ASP 62 HA ASP 62 2.949 1.845 -4.536 464 HB2 ASP 62 2HB ASP 62 4.856 0.571 -6.470 465 HB3 ASP 62 3HB ASP 62 4.567 0.183 -4.777 466 H LYS 63 H LYS 63 5.768 1.873 -4.624 467 HA LYS 63 HA LYS 63 6.611 4.237 -6.051 468 HB2 LYS 63 2HB LYS 63 7.383 4.905 -3.461 469 HB3 LYS 63 3HB LYS 63 6.146 5.700 -4.426 470 HG2 LYS 63 2HG LYS 63 4.420 4.412 -3.431 471 HG3 LYS 63 3HG LYS 63 5.585 3.336 -2.655 472 HD2 LYS 63 2HD LYS 63 5.056 4.702 -0.893 473 HD3 LYS 63 3HD LYS 63 6.429 5.582 -1.567 474 HE2 LYS 63 2HE LYS 63 4.809 6.963 -2.869 475 HE3 LYS 63 3HE LYS 63 3.502 6.158 -2.002 476 HZ1 LYS 63 3HZ LYS 63 5.201 8.290 -1.147 477 HZ2 LYS 63 1HZ LYS 63 5.187 7.015 -0.035 478 HZ3 LYS 63 2HZ LYS 63 3.736 7.753 -0.493 479 H THR 64 H THR 64 8.920 4.871 -5.017 480 HA THR 64 HA THR 64 10.391 2.336 -4.696 481 HB THR 64 HB THR 64 11.315 4.814 -6.164 482 HG1 THR 64 HG1 THR 64 11.216 3.368 -7.981 483 HG21 THR 64 3HG2 THR 64 12.701 2.145 -5.961 484 HG22 THR 64 1HG2 THR 64 13.089 3.519 -4.926 485 HG23 THR 64 2HG2 THR 64 13.323 3.634 -6.671 486 H VAL 65 H VAL 65 11.443 2.167 -2.836 487 HA VAL 65 HA VAL 65 11.491 3.986 -0.796 488 HB VAL 65 HB VAL 65 13.736 2.037 -1.320 489 HG11 VAL 65 1HG1 VAL 65 14.129 3.618 0.505 490 HG12 VAL 65 2HG1 VAL 65 12.602 3.140 1.249 491 HG13 VAL 65 3HG1 VAL 65 13.920 1.975 1.111 492 HG21 VAL 65 3HG2 VAL 65 12.447 0.335 -0.264 493 HG22 VAL 65 1HG2 VAL 65 11.167 1.475 0.149 494 HG23 VAL 65 2HG2 VAL 65 11.443 1.031 -1.536 495 H GLY 66 H GLY 66 14.108 3.444 -3.159 496 HA2 GLY 66 2HA GLY 66 14.816 5.979 -3.745 497 HA3 GLY 66 3HA GLY 66 15.572 5.741 -2.177 498 H PHE 67 H PHE 67 17.508 6.213 -3.561 499 HA PHE 67 HA PHE 67 18.537 3.690 -4.678 500 HB2 PHE 67 2HB PHE 67 19.718 4.892 -6.393 501 HB3 PHE 67 3HB PHE 67 18.032 5.396 -6.444 502 HD1 PHE 67 HD1 PHE 67 21.451 6.403 -5.617 503 HD2 PHE 67 HD2 PHE 67 17.382 7.634 -5.842 504 HE1 PHE 67 HE1 PHE 67 22.154 8.753 -5.418 505 HE2 PHE 67 HE2 PHE 67 18.079 9.985 -5.644 506 HZ PHE 67 HZ PHE 67 20.467 10.547 -5.432 507 H VAL 68 H VAL 68 20.593 3.112 -4.120 508 HA VAL 68 HA VAL 68 21.976 4.885 -2.213 509 HB VAL 68 HB VAL 68 22.028 1.865 -2.291 510 HG11 VAL 68 1HG1 VAL 68 23.378 3.875 -0.506 511 HG12 VAL 68 2HG1 VAL 68 23.177 2.180 -0.061 512 HG13 VAL 68 3HG1 VAL 68 24.124 2.613 -1.485 513 HG21 VAL 68 3HG2 VAL 68 19.990 2.214 -1.340 514 HG22 VAL 68 1HG2 VAL 68 20.991 2.416 0.098 515 HG23 VAL 68 2HG2 VAL 68 20.406 3.832 -0.776 516 H VAL 69 H VAL 69 24.016 5.453 -2.651 517 HA VAL 69 HA VAL 69 25.320 4.188 -4.967 518 HB VAL 69 HB VAL 69 25.874 6.912 -3.786 519 HG11 VAL 69 1HG1 VAL 69 27.759 5.771 -4.973 520 HG12 VAL 69 2HG1 VAL 69 26.762 5.771 -6.429 521 HG13 VAL 69 3HG1 VAL 69 27.253 7.298 -5.695 522 HG21 VAL 69 3HG2 VAL 69 24.229 6.090 -6.174 523 HG22 VAL 69 1HG2 VAL 69 23.685 6.959 -4.738 524 HG23 VAL 69 2HG2 VAL 69 24.778 7.740 -5.880 525 H VAL 70 H VAL 70 26.956 2.879 -4.530 526 HA VAL 70 HA VAL 70 28.609 3.427 -2.152 527 HB VAL 70 HB VAL 70 28.078 0.662 -3.225 528 HG11 VAL 70 1HG1 VAL 70 28.770 1.048 -0.410 529 HG12 VAL 70 2HG1 VAL 70 29.422 -0.084 -1.595 530 HG13 VAL 70 3HG1 VAL 70 30.021 1.574 -1.536 531 HG21 VAL 70 3HG2 VAL 70 26.739 0.769 -0.852 532 HG22 VAL 70 1HG2 VAL 70 26.403 2.363 -1.528 533 HG23 VAL 70 2HG2 VAL 70 25.989 0.912 -2.442 534 H ASN 71 H ASN 71 30.606 3.962 -2.709 535 HA ASN 71 HA ASN 71 31.767 2.742 -5.128 536 HB2 ASN 71 2HB ASN 71 32.453 5.459 -3.989 537 HB3 ASN 71 3HB ASN 71 33.023 4.771 -5.507 538 HD21 ASN 71 1HD2 ASN 71 30.497 6.434 -3.903 539 HD22 ASN 71 2HD2 ASN 71 29.474 6.664 -5.275 540 H ALA 72 H ALA 72 33.185 1.241 -4.531 541 HA ALA 72 HA ALA 72 34.475 1.198 -1.999 542 HB1 ALA 72 1HB ALA 72 35.594 -0.772 -2.780 543 HB2 ALA 72 2HB ALA 72 33.924 -0.822 -3.346 544 HB3 ALA 72 3HB ALA 72 35.219 -0.378 -4.458 545 H ASP 73 H ASP 73 35.430 2.255 -5.214 546 HA ASP 73 HA ASP 73 38.182 2.538 -4.778 547 HB2 ASP 73 2HB ASP 73 38.250 3.676 -6.795 548 HB3 ASP 73 3HB ASP 73 36.749 2.768 -6.959 549 H LYS 74 H LYS 74 35.481 4.663 -4.039 550 HA LYS 74 HA LYS 74 37.289 6.729 -3.046 551 HB2 LYS 74 2HB LYS 74 34.303 6.624 -3.449 552 HB3 LYS 74 3HB LYS 74 35.095 7.953 -2.612 553 HG2 LYS 74 2HG LYS 74 36.240 8.630 -4.551 554 HG3 LYS 74 3HG LYS 74 35.868 7.123 -5.391 555 HD2 LYS 74 2HD LYS 74 33.529 7.712 -5.501 556 HD3 LYS 74 3HD LYS 74 33.815 9.161 -4.534 557 HE2 LYS 74 2HE LYS 74 35.079 8.639 -7.220 558 HE3 LYS 74 3HE LYS 74 33.605 9.577 -6.988 559 HZ1 LYS 74 3HZ LYS 74 35.063 10.920 -5.358 560 HZ2 LYS 74 1HZ LYS 74 35.232 11.187 -7.020 561 HZ3 LYS 74 2HZ LYS 74 36.363 10.236 -6.197 562 H LYS 75 H LYS 75 35.715 4.001 -1.902 563 HA LYS 75 HA LYS 75 35.364 3.133 0.171 564 HB2 LYS 75 2HB LYS 75 37.411 5.254 0.725 565 HB3 LYS 75 3HB LYS 75 36.695 4.357 2.057 566 HG2 LYS 75 2HG LYS 75 37.436 2.254 0.986 567 HG3 LYS 75 3HG LYS 75 38.243 3.212 -0.258 568 HD2 LYS 75 2HD LYS 75 39.459 4.361 1.683 569 HD3 LYS 75 3HD LYS 75 38.878 3.020 2.673 570 HE2 LYS 75 2HE LYS 75 40.501 2.722 0.148 571 HE3 LYS 75 3HE LYS 75 41.167 2.676 1.780 572 HZ1 LYS 75 3HZ LYS 75 40.237 0.650 2.204 573 HZ2 LYS 75 1HZ LYS 75 40.514 0.490 0.543 574 HZ3 LYS 75 2HZ LYS 75 38.964 0.860 1.110 575 H LEU 76 H LEU 76 33.424 4.910 -0.785 576 HA LEU 76 HA LEU 76 32.335 5.872 1.755 577 HB2 LEU 76 2HB LEU 76 31.396 7.825 0.247 578 HB3 LEU 76 3HB LEU 76 32.955 7.942 1.062 579 HG LEU 76 HG LEU 76 34.003 7.177 -1.110 580 HD11 LEU 76 1HD1 LEU 76 31.201 7.699 -2.080 581 HD12 LEU 76 2HD1 LEU 76 32.132 6.208 -2.221 582 HD13 LEU 76 3HD1 LEU 76 32.612 7.637 -3.136 583 HD21 LEU 76 3HD2 LEU 76 32.738 9.776 -0.525 584 HD22 LEU 76 1HD2 LEU 76 33.273 9.530 -2.188 585 HD23 LEU 76 2HD2 LEU 76 34.425 9.379 -0.860 586 H MET 77 H MET 77 30.046 5.988 1.820 587 HA MET 77 HA MET 77 28.588 4.930 -0.478 588 HB2 MET 77 2HB MET 77 29.144 2.935 0.779 589 HB3 MET 77 3HB MET 77 28.557 3.666 2.267 590 HG2 MET 77 2HG MET 77 26.608 3.538 0.073 591 HG3 MET 77 3HG MET 77 27.126 1.984 0.723 592 HE1 MET 77 3HE MET 77 23.936 1.968 2.669 593 HE2 MET 77 1HE MET 77 24.681 1.620 1.109 594 HE3 MET 77 2HE MET 77 25.373 0.948 2.585 595 H SER 78 H SER 78 26.763 6.024 -0.781 596 HA SER 78 HA SER 78 25.583 7.439 1.520 597 HB2 SER 78 2HB SER 78 25.309 8.477 -1.282 598 HB3 SER 78 3HB SER 78 25.207 9.353 0.245 599 HG SER 78 HG SER 78 27.432 8.633 -1.253 600 H VAL 79 H VAL 79 23.427 7.258 1.824 601 HA VAL 79 HA VAL 79 21.921 5.683 -0.163 602 HB VAL 79 HB VAL 79 21.534 5.735 2.834 603 HG11 VAL 79 1HG1 VAL 79 19.503 4.911 2.493 604 HG12 VAL 79 2HG1 VAL 79 19.726 5.086 0.751 605 HG13 VAL 79 3HG1 VAL 79 20.185 3.584 1.554 606 HG21 VAL 79 3HG2 VAL 79 23.445 4.371 1.428 607 HG22 VAL 79 1HG2 VAL 79 22.802 3.896 2.999 608 HG23 VAL 79 2HG2 VAL 79 22.138 3.191 1.525 609 H SER 80 H SER 80 20.365 6.780 -1.140 610 HA SER 80 HA SER 80 19.124 9.041 0.287 611 HB2 SER 80 2HB SER 80 19.449 8.679 -2.702 612 HB3 SER 80 3HB SER 80 18.722 10.071 -1.899 613 HG SER 80 HG SER 80 21.002 10.267 -2.530 614 H PHE 81 H PHE 81 17.095 8.703 0.869 615 HA PHE 81 HA PHE 81 15.345 7.143 -0.896 616 HB2 PHE 81 2HB PHE 81 14.308 6.247 1.315 617 HB3 PHE 81 3HB PHE 81 15.779 5.500 0.698 618 HD1 PHE 81 HD2 PHE 81 14.681 8.215 3.002 619 HD2 PHE 81 HD1 PHE 81 17.556 5.201 2.127 620 HE1 PHE 81 HE2 PHE 81 15.803 8.667 5.145 621 HE2 PHE 81 HE1 PHE 81 18.682 5.648 4.269 622 HZ PHE 81 HZ PHE 81 17.805 7.382 5.782 623 H SER 82 H SER 82 13.173 7.733 -0.870 624 HA SER 82 HA SER 82 12.587 10.240 0.566 625 HB2 SER 82 2HB SER 82 12.758 10.465 -1.921 626 HB3 SER 82 3HB SER 82 11.406 9.343 -2.073 627 HG SER 82 HG SER 82 11.436 11.956 -1.020 628 H ASP 83 H ASP 83 10.448 10.552 1.331 629 HA ASP 83 HA ASP 83 8.936 9.564 2.858 630 HB2 ASP 83 2HB ASP 83 7.893 9.123 0.054 631 HB3 ASP 83 3HB ASP 83 6.900 9.016 1.505 632 H ILE 84 H ILE 84 10.185 7.800 3.707 633 HA ILE 84 HA ILE 84 9.355 5.184 2.629 634 HB ILE 84 HB ILE 84 11.415 4.222 3.516 635 HG12 ILE 84 2HG1 ILE 84 12.796 6.764 3.950 636 HG13 ILE 84 3HG1 ILE 84 11.505 6.475 5.111 637 HG21 ILE 84 1HG2 ILE 84 11.254 5.245 1.200 638 HG22 ILE 84 2HG2 ILE 84 12.161 6.609 1.852 639 HG23 ILE 84 3HG2 ILE 84 12.878 4.999 1.841 640 HD11 ILE 84 3HD1 ILE 84 13.162 5.435 6.221 641 HD12 ILE 84 1HD1 ILE 84 12.699 4.086 5.184 642 HD13 ILE 84 2HD1 ILE 84 14.081 5.094 4.755 643 H ASP 85 H ASP 85 9.744 3.444 4.469 644 HA ASP 85 HA ASP 85 8.213 4.404 6.783 645 HB2 ASP 85 2HB ASP 85 8.624 1.602 5.716 646 HB3 ASP 85 3HB ASP 85 7.683 2.003 7.150 647 H GLU 86 H GLU 86 8.835 3.921 8.894 648 HA GLU 86 HA GLU 86 11.600 3.961 9.414 649 HB2 GLU 86 2HB GLU 86 11.020 3.861 11.737 650 HB3 GLU 86 3HB GLU 86 9.823 4.860 10.925 651 HG2 GLU 86 2HG GLU 86 8.502 2.601 10.772 652 HG3 GLU 86 3HG GLU 86 9.537 2.157 12.129 653 H ASN 87 H ASN 87 9.324 1.361 9.070 654 HA ASN 87 HA ASN 87 10.701 -0.674 10.418 655 HB2 ASN 87 2HB ASN 87 8.325 -0.715 9.459 656 HB3 ASN 87 3HB ASN 87 9.077 -1.115 7.917 657 HD21 ASN 87 1HD2 ASN 87 7.450 -2.942 8.583 658 HD22 ASN 87 2HD2 ASN 87 8.195 -4.319 9.315 659 H MET 88 H MET 88 10.842 0.353 7.020 660 HA MET 88 HA MET 88 12.879 -1.562 6.360 661 HB2 MET 88 2HB MET 88 12.961 -0.336 4.191 662 HB3 MET 88 3HB MET 88 11.350 -0.889 4.629 663 HG2 MET 88 2HG MET 88 10.748 1.337 5.357 664 HG3 MET 88 3HG MET 88 12.381 1.910 5.026 665 HE1 MET 88 3HE MET 88 9.403 0.382 1.926 666 HE2 MET 88 1HE MET 88 10.857 -0.596 2.123 667 HE3 MET 88 2HE MET 88 9.791 -0.315 3.499 668 H LYS 89 H LYS 89 12.768 1.801 7.319 669 HA LYS 89 HA LYS 89 15.261 2.704 6.569 670 HB2 LYS 89 2HB LYS 89 13.336 3.905 7.832 671 HB3 LYS 89 3HB LYS 89 14.151 3.343 9.286 672 HG2 LYS 89 2HG LYS 89 16.242 4.455 8.327 673 HG3 LYS 89 3HG LYS 89 15.141 5.261 7.208 674 HD2 LYS 89 2HD LYS 89 14.698 5.320 10.178 675 HD3 LYS 89 3HD LYS 89 15.750 6.487 9.374 676 HE2 LYS 89 2HE LYS 89 13.812 7.018 7.857 677 HE3 LYS 89 3HE LYS 89 12.807 6.032 8.919 678 HZ1 LYS 89 3HZ LYS 89 12.522 7.859 10.121 679 HZ2 LYS 89 1HZ LYS 89 13.711 8.709 9.269 680 HZ3 LYS 89 2HZ LYS 89 14.143 7.747 10.591 681 H LYS 90 H LYS 90 14.390 0.698 9.337 682 HA LYS 90 HA LYS 90 16.826 0.735 10.694 683 HB2 LYS 90 2HB LYS 90 16.062 -1.164 11.871 684 HB3 LYS 90 3HB LYS 90 14.610 -0.263 11.455 685 HG2 LYS 90 2HG LYS 90 13.913 -2.331 10.861 686 HG3 LYS 90 3HG LYS 90 14.687 -1.871 9.342 687 HD2 LYS 90 2HD LYS 90 16.401 -3.329 9.621 688 HD3 LYS 90 3HD LYS 90 16.426 -3.130 11.375 689 HE2 LYS 90 2HE LYS 90 14.320 -4.662 9.855 690 HE3 LYS 90 3HE LYS 90 15.725 -5.396 10.626 691 HZ1 LYS 90 3HZ LYS 90 13.288 -4.871 11.790 692 HZ2 LYS 90 1HZ LYS 90 14.335 -3.710 12.439 693 HZ3 LYS 90 2HZ LYS 90 14.705 -5.355 12.578 694 H VAL 91 H VAL 91 15.748 -1.224 7.970 695 HA VAL 91 HA VAL 91 18.033 -2.932 7.941 696 HB VAL 91 HB VAL 91 17.062 -3.998 6.193 697 HG11 VAL 91 1HG1 VAL 91 14.730 -4.043 6.403 698 HG12 VAL 91 2HG1 VAL 91 15.301 -3.477 7.974 699 HG13 VAL 91 3HG1 VAL 91 14.644 -2.329 6.807 700 HG21 VAL 91 3HG2 VAL 91 16.283 -1.284 5.149 701 HG22 VAL 91 1HG2 VAL 91 17.494 -2.392 4.502 702 HG23 VAL 91 2HG2 VAL 91 15.780 -2.792 4.386 703 H ILE 92 H ILE 92 17.175 0.089 6.359 704 HA ILE 92 HA ILE 92 19.334 0.131 4.523 705 HB ILE 92 HB ILE 92 18.004 2.591 5.634 706 HG12 ILE 92 2HG1 ILE 92 16.945 0.598 3.631 707 HG13 ILE 92 3HG1 ILE 92 16.164 1.177 5.099 708 HG21 ILE 92 1HG2 ILE 92 19.036 1.976 2.870 709 HG22 ILE 92 2HG2 ILE 92 18.475 3.533 3.478 710 HG23 ILE 92 3HG2 ILE 92 19.958 2.821 4.114 711 HD11 ILE 92 3HD1 ILE 92 16.177 3.470 3.986 712 HD12 ILE 92 1HD1 ILE 92 16.549 2.603 2.496 713 HD13 ILE 92 2HD1 ILE 92 15.053 2.262 3.365 714 H LYS 93 H LYS 93 18.868 1.611 7.719 715 HA LYS 93 HA LYS 93 21.383 2.895 7.822 716 HB2 LYS 93 2HB LYS 93 20.950 3.119 10.229 717 HB3 LYS 93 3HB LYS 93 19.536 3.551 9.278 718 HG2 LYS 93 2HG LYS 93 18.611 1.294 9.718 719 HG3 LYS 93 3HG LYS 93 19.988 0.980 10.777 720 HD2 LYS 93 2HD LYS 93 18.090 1.676 12.101 721 HD3 LYS 93 3HD LYS 93 19.332 2.929 12.149 722 HE2 LYS 93 2HE LYS 93 17.338 3.195 9.999 723 HE3 LYS 93 3HE LYS 93 16.717 3.394 11.637 724 HZ1 LYS 93 3HZ LYS 93 18.046 5.276 10.118 725 HZ2 LYS 93 1HZ LYS 93 19.149 4.811 11.314 726 HZ3 LYS 93 2HZ LYS 93 17.625 5.397 11.752 727 H ALA 94 H ALA 94 20.262 -0.263 8.960 728 HA ALA 94 HA ALA 94 22.626 -1.022 10.286 729 HB1 ALA 94 1HB ALA 94 20.420 -2.651 9.044 730 HB2 ALA 94 2HB ALA 94 21.749 -3.357 9.965 731 HB3 ALA 94 3HB ALA 94 20.636 -2.232 10.744 732 H THR 95 H THR 95 21.572 -1.387 6.936 733 HA THR 95 HA THR 95 23.737 -3.026 6.111 734 HB THR 95 HB THR 95 22.005 -1.205 4.428 735 HG1 THR 95 HG1 THR 95 20.581 -2.812 4.404 736 HG21 THR 95 3HG2 THR 95 23.072 -3.647 3.231 737 HG22 THR 95 1HG2 THR 95 24.320 -2.488 3.686 738 HG23 THR 95 2HG2 THR 95 23.022 -2.004 2.594 739 H ALA 96 H ALA 96 23.147 0.468 5.955 740 HA ALA 96 HA ALA 96 25.519 1.128 4.572 741 HB1 ALA 96 1HB ALA 96 24.979 3.356 4.965 742 HB2 ALA 96 2HB ALA 96 23.409 2.550 4.974 743 HB3 ALA 96 3HB ALA 96 24.182 2.994 6.496 744 H GLU 97 H GLU 97 24.724 1.152 8.040 745 HA GLU 97 HA GLU 97 27.257 2.043 8.911 746 HB2 GLU 97 2HB GLU 97 26.498 1.665 11.076 747 HB3 GLU 97 3HB GLU 97 25.004 1.931 10.188 748 HG2 GLU 97 2HG GLU 97 24.440 0.091 11.405 749 HG3 GLU 97 3HG GLU 97 25.051 -0.676 9.940 750 H LYS 98 H LYS 98 25.969 -1.124 8.169 751 HA LYS 98 HA LYS 98 27.898 -2.723 9.408 752 HB2 LYS 98 2HB LYS 98 25.899 -3.054 7.275 753 HB3 LYS 98 3HB LYS 98 27.271 -4.148 7.159 754 HG2 LYS 98 2HG LYS 98 25.531 -3.808 9.593 755 HG3 LYS 98 3HG LYS 98 25.387 -5.108 8.408 756 HD2 LYS 98 2HD LYS 98 27.866 -5.571 8.933 757 HD3 LYS 98 3HD LYS 98 27.597 -4.578 10.368 758 HE2 LYS 98 2HE LYS 98 25.848 -6.063 11.116 759 HE3 LYS 98 3HE LYS 98 25.962 -7.003 9.630 760 HZ1 LYS 98 3HZ LYS 98 27.117 -7.960 11.624 761 HZ2 LYS 98 1HZ LYS 98 28.233 -6.694 11.507 762 HZ3 LYS 98 2HZ LYS 98 28.077 -7.803 10.240 763 H PHE 99 H PHE 99 27.902 -1.108 6.274 764 HA PHE 99 HA PHE 99 30.218 -2.305 5.227 765 HB2 PHE 99 2HB PHE 99 28.648 0.153 4.653 766 HB3 PHE 99 3HB PHE 99 30.289 0.084 4.017 767 HD1 PHE 99 HD1 PHE 99 30.860 -2.256 2.854 768 HD2 PHE 99 HD2 PHE 99 26.966 -0.597 3.298 769 HE1 PHE 99 HE1 PHE 99 30.069 -3.615 0.962 770 HE2 PHE 99 HE2 PHE 99 26.168 -1.954 1.406 771 HZ PHE 99 HZ PHE 99 27.721 -3.464 0.235 772 H LYS 100 H LYS 100 29.749 0.386 7.417 773 HA LYS 100 HA LYS 100 32.328 1.494 7.295 774 HB2 LYS 100 2HB LYS 100 30.241 2.466 8.395 775 HB3 LYS 100 3HB LYS 100 30.602 1.427 9.767 776 HG2 LYS 100 2HG LYS 100 32.439 2.638 10.382 777 HG3 LYS 100 3HG LYS 100 32.744 3.216 8.742 778 HD2 LYS 100 2HD LYS 100 30.194 4.166 9.646 779 HD3 LYS 100 3HD LYS 100 31.434 4.567 10.836 780 HE2 LYS 100 2HE LYS 100 32.732 5.236 8.583 781 HE3 LYS 100 3HE LYS 100 31.072 5.525 8.062 782 HZ1 LYS 100 3HZ LYS 100 31.644 7.538 8.966 783 HZ2 LYS 100 1HZ LYS 100 32.612 6.862 10.179 784 HZ3 LYS 100 2HZ LYS 100 30.927 6.792 10.304 785 H ASN 101 H ASN 101 31.058 -1.289 8.970 786 HA ASN 101 HA ASN 101 33.122 -1.637 10.853 787 HB2 ASN 101 2HB ASN 101 31.362 -3.722 9.543 788 HB3 ASN 101 3HB ASN 101 32.332 -3.971 10.992 789 HD21 ASN 101 1HD2 ASN 101 29.862 -4.561 11.380 790 HD22 ASN 101 2HD2 ASN 101 28.986 -3.325 12.212 791 H LYS 102 H LYS 102 33.084 -2.002 7.474 792 HA LYS 102 HA LYS 102 35.433 -3.762 7.506 793 HB2 LYS 102 2HB LYS 102 33.337 -4.138 6.007 794 HB3 LYS 102 3HB LYS 102 34.025 -2.859 5.014 795 HG2 LYS 102 2HG LYS 102 34.717 -4.933 4.094 796 HG3 LYS 102 3HG LYS 102 36.124 -4.207 4.873 797 HD2 LYS 102 2HD LYS 102 35.768 -5.630 6.835 798 HD3 LYS 102 3HD LYS 102 34.360 -6.355 6.054 799 HE2 LYS 102 2HE LYS 102 35.645 -7.492 4.503 800 HE3 LYS 102 3HE LYS 102 37.010 -6.390 4.673 801 HZ1 LYS 102 3HZ LYS 102 37.890 -7.887 6.030 802 HZ2 LYS 102 1HZ LYS 102 36.470 -8.807 6.067 803 HZ3 LYS 102 2HZ LYS 102 36.677 -7.527 7.153 804 H GLY 103 H GLY 103 34.731 -0.543 7.552 805 HA2 GLY 103 2HA GLY 103 36.457 1.099 7.541 806 HA3 GLY 103 3HA GLY 103 37.355 0.104 6.404 807 H PHE 104 H PHE 104 34.256 1.851 6.625 808 HA PHE 104 HA PHE 104 34.829 3.168 4.105 809 HB2 PHE 104 2HB PHE 104 32.484 1.300 4.468 810 HB3 PHE 104 3HB PHE 104 32.552 2.521 3.201 811 HD1 PHE 104 HD2 PHE 104 33.965 -0.630 4.421 812 HD2 PHE 104 HD1 PHE 104 33.991 2.261 1.298 813 HE1 PHE 104 HE2 PHE 104 35.199 -2.200 2.984 814 HE2 PHE 104 HE1 PHE 104 35.225 0.696 -0.145 815 HZ PHE 104 HZ PHE 104 35.831 -1.537 0.697 816 H LYS 105 H LYS 105 33.174 4.832 3.588 817 HA LYS 105 HA LYS 105 32.299 6.116 6.060 818 HB2 LYS 105 2HB LYS 105 33.644 7.412 4.446 819 HB3 LYS 105 3HB LYS 105 32.391 7.188 3.233 820 HG2 LYS 105 2HG LYS 105 32.212 9.385 4.197 821 HG3 LYS 105 3HG LYS 105 30.813 8.416 4.666 822 HD2 LYS 105 2HD LYS 105 31.548 8.191 6.861 823 HD3 LYS 105 3HD LYS 105 33.220 8.571 6.442 824 HE2 LYS 105 2HE LYS 105 32.401 10.895 5.859 825 HE3 LYS 105 3HE LYS 105 30.876 10.450 6.622 826 HZ1 LYS 105 3HZ LYS 105 33.489 10.276 8.011 827 HZ2 LYS 105 1HZ LYS 105 31.945 10.170 8.695 828 HZ3 LYS 105 2HZ LYS 105 32.497 11.645 8.079 829 H VAL 106 H VAL 106 30.204 6.601 6.542 830 HA VAL 106 HA VAL 106 28.157 5.533 4.709 831 HB VAL 106 HB VAL 106 27.889 5.783 7.704 832 HG11 VAL 106 1HG1 VAL 106 26.138 3.881 6.925 833 HG12 VAL 106 2HG1 VAL 106 25.730 5.590 7.083 834 HG13 VAL 106 3HG1 VAL 106 26.135 4.921 5.502 835 HG21 VAL 106 3HG2 VAL 106 29.506 4.146 7.570 836 HG22 VAL 106 1HG2 VAL 106 28.030 3.186 7.473 837 HG23 VAL 106 2HG2 VAL 106 28.936 3.560 6.007 838 H GLU 107 H GLU 107 26.727 6.936 3.931 839 HA GLU 107 HA GLU 107 26.251 9.436 5.408 840 HB2 GLU 107 2HB GLU 107 27.727 9.968 3.562 841 HB3 GLU 107 3HB GLU 107 26.674 9.129 2.432 842 HG2 GLU 107 2HG GLU 107 24.894 10.784 2.967 843 HG3 GLU 107 3HG GLU 107 26.076 11.666 3.932 844 H THR 108 H THR 108 24.174 10.235 5.369 845 HA THR 108 HA THR 108 22.160 8.512 4.075 846 HB THR 108 HB THR 108 20.644 8.906 5.895 847 HG1 THR 108 HG1 THR 108 20.973 10.879 6.699 848 HG21 THR 108 3HG2 THR 108 21.598 7.493 7.409 849 HG22 THR 108 1HG2 THR 108 23.114 8.392 7.458 850 HG23 THR 108 2HG2 THR 108 22.773 7.312 6.106 851 H ASP 109 H ASP 109 20.579 9.468 2.900 852 HA ASP 109 HA ASP 109 20.411 12.403 2.936 853 HB2 ASP 109 2HB ASP 109 21.715 11.202 0.945 854 HB3 ASP 109 3HB ASP 109 20.077 11.005 0.327 855 H MET 110 H MET 110 18.392 13.215 2.907 856 HA MET 110 HA MET 110 16.174 11.395 2.263 857 HB2 MET 110 2HB MET 110 14.892 12.296 4.146 858 HB3 MET 110 3HB MET 110 16.374 11.526 4.697 859 HG2 MET 110 2HG MET 110 17.351 13.522 5.293 860 HG3 MET 110 3HG MET 110 16.336 14.465 4.204 861 HE1 MET 110 3HE MET 110 15.780 16.177 5.447 862 HE2 MET 110 1HE MET 110 14.037 15.902 5.459 863 HE3 MET 110 2HE MET 110 14.884 16.257 6.965 Start of MODEL 6 1 H1 MET 1 H MET 1 2.090 -0.223 0.970 2 HA MET 1 HA MET 1 1.526 -0.454 -1.882 3 HB2 MET 1 2HB MET 1 3.274 1.592 -2.007 4 HB3 MET 1 3HB MET 1 1.529 1.807 -2.040 5 HG2 MET 1 2HG MET 1 2.547 3.369 -0.507 6 HG3 MET 1 3HG MET 1 1.534 2.221 0.366 7 HE1 MET 1 3HE MET 1 5.243 2.956 -0.760 8 HE2 MET 1 1HE MET 1 6.119 1.747 0.179 9 HE3 MET 1 2HE MET 1 5.017 1.240 -1.102 10 H THR 2 H THR 2 3.676 -0.395 -3.139 11 HA THR 2 HA THR 2 5.598 -2.050 -1.654 12 HB THR 2 HB THR 2 5.605 -1.808 -4.643 13 HG1 THR 2 HG1 THR 2 4.178 -3.755 -4.497 14 HG21 THR 2 3HG2 THR 2 6.021 -4.373 -3.246 15 HG22 THR 2 1HG2 THR 2 7.232 -3.129 -2.939 16 HG23 THR 2 2HG2 THR 2 6.910 -3.657 -4.590 17 H LEU 3 H LEU 3 7.610 -1.353 -1.294 18 HA LEU 3 HA LEU 3 8.512 1.064 -2.720 19 HB2 LEU 3 2HB LEU 3 8.120 0.700 0.015 20 HB3 LEU 3 3HB LEU 3 9.865 0.598 -0.209 21 HG LEU 3 HG LEU 3 9.969 2.802 -1.082 22 HD11 LEU 3 1HD1 LEU 3 8.325 3.587 -2.343 23 HD12 LEU 3 2HD1 LEU 3 7.356 3.814 -0.887 24 HD13 LEU 3 3HD1 LEU 3 7.242 2.307 -1.795 25 HD21 LEU 3 3HD2 LEU 3 8.929 4.132 0.748 26 HD22 LEU 3 1HD2 LEU 3 9.875 2.754 1.311 27 HD23 LEU 3 2HD2 LEU 3 8.113 2.664 1.289 28 H CYS 4 H CYS 4 10.271 0.828 -3.923 29 HA CYS 4 HA CYS 4 12.108 -1.390 -3.302 30 HB2 CYS 4 2HB CYS 4 11.558 -0.302 -6.066 31 HB3 CYS 4 3HB CYS 4 12.476 -1.743 -5.646 32 HG CYS 4 HG CYS 4 9.106 -1.392 -5.159 33 H ALA 5 H ALA 5 14.335 -1.054 -3.775 34 HA ALA 5 HA ALA 5 15.127 1.738 -4.226 35 HB1 ALA 5 1HB ALA 5 15.428 0.240 -1.777 36 HB2 ALA 5 2HB ALA 5 16.993 0.753 -2.410 37 HB3 ALA 5 3HB ALA 5 15.734 1.948 -2.098 38 H MET 6 H MET 6 17.033 2.028 -5.334 39 HA MET 6 HA MET 6 18.291 -0.427 -6.367 40 HB2 MET 6 2HB MET 6 17.137 0.824 -8.109 41 HB3 MET 6 3HB MET 6 18.013 2.285 -7.673 42 HG2 MET 6 2HG MET 6 20.128 0.956 -8.224 43 HG3 MET 6 3HG MET 6 19.042 -0.186 -9.011 44 HE1 MET 6 3HE MET 6 20.151 3.355 -8.610 45 HE2 MET 6 1HE MET 6 20.046 4.086 -10.212 46 HE3 MET 6 2HE MET 6 18.607 3.972 -9.199 47 H TYR 7 H TYR 7 20.346 -0.765 -5.847 48 HA TYR 7 HA TYR 7 21.973 1.540 -4.995 49 HB2 TYR 7 2HB TYR 7 23.081 0.118 -3.373 50 HB3 TYR 7 3HB TYR 7 21.343 0.062 -3.104 51 HD1 TYR 7 HD1 TYR 7 20.055 -1.953 -3.783 52 HD2 TYR 7 HD2 TYR 7 24.304 -1.839 -3.967 53 HE1 TYR 7 HE1 TYR 7 20.109 -4.408 -3.919 54 HE2 TYR 7 HE2 TYR 7 24.370 -4.294 -4.105 55 HH TYR 7 HH TYR 7 21.384 -6.209 -4.211 56 H ASN 8 H ASN 8 24.121 1.593 -5.627 57 HA ASN 8 HA ASN 8 24.927 -0.446 -7.596 58 HB2 ASN 8 2HB ASN 8 25.775 1.175 -9.043 59 HB3 ASN 8 3HB ASN 8 24.300 1.931 -8.448 60 HD21 ASN 8 1HD2 ASN 8 24.442 3.874 -7.558 61 HD22 ASN 8 2HD2 ASN 8 25.910 4.665 -7.106 62 H ILE 9 H ILE 9 26.899 -1.328 -7.355 63 HA ILE 9 HA ILE 9 28.627 -0.217 -5.241 64 HB ILE 9 HB ILE 9 29.559 -2.639 -5.226 65 HG12 ILE 9 2HG1 ILE 9 27.969 -3.094 -7.289 66 HG13 ILE 9 3HG1 ILE 9 28.284 -4.349 -6.096 67 HG21 ILE 9 1HG2 ILE 9 28.480 -1.733 -3.312 68 HG22 ILE 9 2HG2 ILE 9 26.895 -1.848 -4.073 69 HG23 ILE 9 3HG2 ILE 9 27.758 -3.314 -3.610 70 HD11 ILE 9 3HD1 ILE 9 25.855 -3.836 -6.901 71 HD12 ILE 9 1HD1 ILE 9 26.180 -4.223 -5.212 72 HD13 ILE 9 2HD1 ILE 9 25.953 -2.545 -5.705 73 H SER 10 H SER 10 30.669 0.307 -5.734 74 HA SER 10 HA SER 10 31.628 -0.357 -8.439 75 HB2 SER 10 2HB SER 10 31.230 2.111 -7.652 76 HB3 SER 10 3HB SER 10 32.768 1.894 -6.816 77 HG SER 10 HG SER 10 33.785 1.630 -8.728 78 H MET 11 H MET 11 33.297 -1.693 -8.584 79 HA MET 11 HA MET 11 34.742 -2.463 -6.193 80 HB2 MET 11 2HB MET 11 35.627 -4.260 -7.484 81 HB3 MET 11 3HB MET 11 33.929 -4.109 -7.917 82 HG2 MET 11 2HG MET 11 35.433 -2.479 -9.682 83 HG3 MET 11 3HG MET 11 36.202 -4.062 -9.603 84 HE1 MET 11 3HE MET 11 34.326 -3.802 -12.874 85 HE2 MET 11 1HE MET 11 33.441 -2.485 -12.104 86 HE3 MET 11 2HE MET 11 35.188 -2.614 -11.895 87 H ALA 12 H ALA 12 35.068 -0.048 -8.416 88 HA ALA 12 HA ALA 12 37.584 0.783 -7.525 89 HB1 ALA 12 1HB ALA 12 38.088 0.121 -10.317 90 HB2 ALA 12 2HB ALA 12 39.110 -0.099 -8.896 91 HB3 ALA 12 3HB ALA 12 37.879 -1.299 -9.291 92 H GLY 13 H GLY 13 38.547 2.147 -9.760 93 HA2 GLY 13 2HA GLY 13 36.537 4.227 -9.967 94 HA3 GLY 13 3HA GLY 13 38.199 4.320 -10.529 95 H SER 14 H SER 14 35.735 1.900 -11.316 96 HA SER 14 HA SER 14 35.705 2.902 -14.079 97 HB2 SER 14 2HB SER 14 37.258 0.908 -13.770 98 HB3 SER 14 3HB SER 14 35.816 -0.043 -13.415 99 HG SER 14 HG SER 14 36.480 -0.089 -15.649 100 H HIS 15 H HIS 15 33.856 2.138 -15.339 101 HA HIS 15 HA HIS 15 31.430 2.699 -14.450 102 HB2 HIS 15 2HB HIS 15 32.105 0.354 -16.234 103 HB3 HIS 15 3HB HIS 15 30.475 0.986 -16.020 104 HD1 HIS 15 HD1 HIS 15 32.305 0.967 -18.692 105 HD2 HIS 15 HD2 HIS 15 31.405 4.212 -16.258 106 HE1 HIS 15 HE1 HIS 15 32.588 2.999 -20.147 107 HA PRO 16 HA PRO 16 31.010 -0.155 -10.984 108 HB2 PRO 16 2HB PRO 16 28.924 1.171 -9.862 109 HB3 PRO 16 3HB PRO 16 30.605 1.681 -9.664 110 HG2 PRO 16 2HG PRO 16 28.515 2.727 -11.535 111 HG3 PRO 16 3HG PRO 16 29.694 3.624 -10.560 112 HD2 PRO 16 2HD PRO 16 30.047 3.153 -13.203 113 HD3 PRO 16 3HD PRO 16 31.403 3.258 -12.062 114 H THR 17 H THR 17 28.846 -1.068 -9.973 115 HA THR 17 HA THR 17 27.155 -1.938 -12.225 116 HB THR 17 HB THR 17 27.805 -3.474 -9.701 117 HG1 THR 17 HG1 THR 17 28.563 -4.222 -12.318 118 HG21 THR 17 3HG2 THR 17 26.694 -5.350 -10.857 119 HG22 THR 17 1HG2 THR 17 26.238 -4.256 -12.162 120 HG23 THR 17 2HG2 THR 17 25.589 -4.013 -10.541 121 H THR 18 H THR 18 25.039 -1.541 -12.112 122 HA THR 18 HA THR 18 23.965 -0.493 -9.584 123 HB THR 18 HB THR 18 22.326 -0.214 -12.021 124 HG1 THR 18 HG1 THR 18 24.316 0.215 -12.963 125 HG21 THR 18 3HG2 THR 18 21.780 1.873 -11.091 126 HG22 THR 18 1HG2 THR 18 23.252 1.926 -10.123 127 HG23 THR 18 2HG2 THR 18 21.957 0.807 -9.699 128 H ILE 19 H ILE 19 22.109 -1.313 -8.682 129 HA ILE 19 HA ILE 19 20.732 -3.506 -10.032 130 HB ILE 19 HB ILE 19 22.489 -3.830 -7.717 131 HG12 ILE 19 2HG1 ILE 19 21.199 -5.591 -9.788 132 HG13 ILE 19 3HG1 ILE 19 22.903 -5.194 -9.592 133 HG21 ILE 19 1HG2 ILE 19 19.687 -4.936 -7.594 134 HG22 ILE 19 2HG2 ILE 19 21.018 -5.422 -6.545 135 HG23 ILE 19 3HG2 ILE 19 20.407 -3.769 -6.486 136 HD11 ILE 19 3HD1 ILE 19 22.551 -7.461 -8.932 137 HD12 ILE 19 1HD1 ILE 19 22.908 -6.508 -7.492 138 HD13 ILE 19 2HD1 ILE 19 21.247 -6.991 -7.841 139 H CYS 20 H CYS 20 18.596 -3.660 -9.534 140 HA CYS 20 HA CYS 20 17.577 -1.810 -7.479 141 HB2 CYS 20 2HB CYS 20 15.510 -1.665 -8.926 142 HB3 CYS 20 3HB CYS 20 16.952 -0.911 -9.595 143 HG CYS 20 HG CYS 20 17.226 -2.431 -11.698 144 H VAL 21 H VAL 21 16.655 -2.817 -5.832 145 HA VAL 21 HA VAL 21 15.039 -5.208 -6.334 146 HB VAL 21 HB VAL 21 15.992 -6.278 -4.279 147 HG11 VAL 21 1HG1 VAL 21 18.252 -6.812 -5.467 148 HG12 VAL 21 2HG1 VAL 21 16.728 -7.291 -6.217 149 HG13 VAL 21 3HG1 VAL 21 17.573 -5.846 -6.776 150 HG21 VAL 21 3HG2 VAL 21 18.244 -4.304 -4.612 151 HG22 VAL 21 1HG2 VAL 21 16.978 -4.147 -3.394 152 HG23 VAL 21 2HG2 VAL 21 18.064 -5.536 -3.363 153 H VAL 22 H VAL 22 13.375 -5.556 -4.850 154 HA VAL 22 HA VAL 22 12.305 -3.232 -3.634 155 HB VAL 22 HB VAL 22 10.948 -5.141 -4.524 156 HG11 VAL 22 1HG1 VAL 22 11.075 -6.606 -1.992 157 HG12 VAL 22 2HG1 VAL 22 10.999 -7.206 -3.650 158 HG13 VAL 22 3HG1 VAL 22 12.544 -6.705 -2.962 159 HG21 VAL 22 3HG2 VAL 22 10.092 -3.366 -2.958 160 HG22 VAL 22 1HG2 VAL 22 9.188 -4.880 -2.950 161 HG23 VAL 22 2HG2 VAL 22 10.318 -4.522 -1.645 162 H MET 23 H MET 23 11.815 -2.892 -1.395 163 HA MET 23 HA MET 23 13.966 -3.108 0.327 164 HB2 MET 23 2HB MET 23 11.838 -1.648 0.491 165 HB3 MET 23 3HB MET 23 11.140 -3.016 1.348 166 HG2 MET 23 2HG MET 23 13.762 -1.903 2.229 167 HG3 MET 23 3HG MET 23 12.266 -1.077 2.660 168 HE1 MET 23 3HE MET 23 10.268 -2.428 3.223 169 HE2 MET 23 1HE MET 23 10.259 -4.076 3.852 170 HE3 MET 23 2HE MET 23 10.458 -2.714 4.954 171 H ASP 24 H ASP 24 11.207 -5.268 -0.069 172 HA ASP 24 HA ASP 24 11.627 -6.915 2.148 173 HB2 ASP 24 2HB ASP 24 9.648 -6.872 0.504 174 HB3 ASP 24 3HB ASP 24 10.621 -7.946 -0.497 175 H ARG 25 H ARG 25 13.068 -6.959 -1.065 176 HA ARG 25 HA ARG 25 14.675 -9.298 -0.336 177 HB2 ARG 25 2HB ARG 25 14.377 -7.882 -2.992 178 HB3 ARG 25 3HB ARG 25 15.319 -9.341 -2.715 179 HG2 ARG 25 2HG ARG 25 12.458 -9.391 -1.945 180 HG3 ARG 25 3HG ARG 25 12.851 -9.408 -3.666 181 HD2 ARG 25 2HD ARG 25 14.330 -11.260 -1.873 182 HD3 ARG 25 3HD ARG 25 12.649 -11.637 -2.247 183 HE ARG 25 HE ARG 25 14.075 -11.039 -4.615 184 HH11 ARG 25 1HH1 ARG 25 13.687 -13.519 -2.202 185 HH12 ARG 25 2HH1 ARG 25 14.118 -14.811 -3.273 186 HH21 ARG 25 1HH2 ARG 25 14.645 -12.731 -6.034 187 HH22 ARG 25 2HH2 ARG 25 14.664 -14.361 -5.452 188 H PHE 26 H PHE 26 14.848 -5.934 -0.394 189 HA PHE 26 HA PHE 26 17.528 -5.505 -1.142 190 HB2 PHE 26 2HB PHE 26 15.867 -3.693 -0.973 191 HB3 PHE 26 3HB PHE 26 15.820 -3.904 0.774 192 HD1 PHE 26 HD1 PHE 26 18.741 -3.871 -1.523 193 HD2 PHE 26 HD2 PHE 26 16.657 -1.924 1.637 194 HE1 PHE 26 HE1 PHE 26 20.599 -2.275 -1.286 195 HE2 PHE 26 HE2 PHE 26 18.511 -0.324 1.878 196 HZ PHE 26 HZ PHE 26 20.486 -0.499 0.417 197 H LEU 27 H LEU 27 16.028 -6.108 2.011 198 HA LEU 27 HA LEU 27 18.287 -5.786 3.612 199 HB2 LEU 27 2HB LEU 27 16.005 -5.998 4.477 200 HB3 LEU 27 3HB LEU 27 15.982 -7.692 3.993 201 HG LEU 27 HG LEU 27 18.078 -6.763 5.902 202 HD11 LEU 27 1HD1 LEU 27 16.251 -5.820 7.002 203 HD12 LEU 27 2HD1 LEU 27 16.403 -7.420 7.726 204 HD13 LEU 27 3HD1 LEU 27 15.163 -7.117 6.509 205 HD21 LEU 27 3HD2 LEU 27 17.339 -9.194 4.784 206 HD22 LEU 27 1HD2 LEU 27 16.704 -9.254 6.429 207 HD23 LEU 27 2HD2 LEU 27 18.419 -8.947 6.157 208 H GLU 28 H GLU 28 17.007 -8.739 2.095 209 HA GLU 28 HA GLU 28 19.114 -10.408 3.015 210 HB2 GLU 28 2HB GLU 28 16.732 -11.005 2.093 211 HB3 GLU 28 3HB GLU 28 17.550 -11.024 0.537 212 HG2 GLU 28 2HG GLU 28 17.383 -13.249 1.566 213 HG3 GLU 28 3HG GLU 28 19.049 -12.745 1.285 214 H SER 29 H SER 29 18.478 -8.784 -0.077 215 HA SER 29 HA SER 29 20.640 -9.766 -1.522 216 HB2 SER 29 2HB SER 29 20.313 -7.931 -3.024 217 HB3 SER 29 3HB SER 29 18.721 -8.366 -2.400 218 HG SER 29 HG SER 29 20.149 -6.050 -2.100 219 H PHE 30 H PHE 30 20.456 -7.021 0.694 220 HA PHE 30 HA PHE 30 23.076 -6.058 0.217 221 HB2 PHE 30 2HB PHE 30 22.128 -4.388 1.375 222 HB3 PHE 30 3HB PHE 30 20.871 -5.450 1.999 223 HD1 PHE 30 HD2 PHE 30 24.447 -4.563 2.527 224 HD2 PHE 30 HD1 PHE 30 20.807 -5.935 4.254 225 HE1 PHE 30 HE2 PHE 30 25.469 -4.450 4.762 226 HE2 PHE 30 HE1 PHE 30 21.823 -5.823 6.492 227 HZ PHE 30 HZ PHE 30 24.157 -5.081 6.748 228 H SER 31 H SER 31 21.724 -8.203 2.700 229 HA SER 31 HA SER 31 23.996 -8.566 4.250 230 HB2 SER 31 2HB SER 31 21.939 -9.431 5.070 231 HB3 SER 31 3HB SER 31 21.694 -10.419 3.630 232 HG SER 31 HG SER 31 22.480 -11.839 5.054 233 H GLU 32 H GLU 32 22.937 -10.387 1.390 234 HA GLU 32 HA GLU 32 25.215 -12.115 1.400 235 HB2 GLU 32 2HB GLU 32 22.895 -12.537 0.359 236 HB3 GLU 32 3HB GLU 32 23.475 -11.576 -0.994 237 HG2 GLU 32 2HG GLU 32 23.909 -13.748 -1.655 238 HG3 GLU 32 3HG GLU 32 25.463 -13.197 -1.032 239 H LEU 33 H LEU 33 24.292 -9.208 -0.394 240 HA LEU 33 HA LEU 33 26.386 -9.125 -2.220 241 HB2 LEU 33 2HB LEU 33 24.496 -7.642 -2.387 242 HB3 LEU 33 3HB LEU 33 24.919 -6.872 -0.860 243 HG LEU 33 HG LEU 33 25.435 -5.647 -3.073 244 HD11 LEU 33 1HD1 LEU 33 27.829 -5.841 -1.307 245 HD12 LEU 33 2HD1 LEU 33 26.303 -5.266 -0.635 246 HD13 LEU 33 3HD1 LEU 33 27.043 -4.418 -1.992 247 HD21 LEU 33 3HD2 LEU 33 26.712 -7.922 -3.738 248 HD22 LEU 33 1HD2 LEU 33 28.053 -7.003 -3.054 249 HD23 LEU 33 2HD2 LEU 33 27.124 -6.339 -4.399 250 H TYR 34 H TYR 34 26.263 -8.075 1.139 251 HA TYR 34 HA TYR 34 28.779 -6.763 1.151 252 HB2 TYR 34 2HB TYR 34 27.203 -6.228 2.874 253 HB3 TYR 34 3HB TYR 34 27.084 -7.912 3.372 254 HD1 TYR 34 HD1 TYR 34 28.921 -8.968 4.627 255 HD2 TYR 34 HD2 TYR 34 29.012 -4.836 3.618 256 HE1 TYR 34 HE1 TYR 34 30.700 -8.608 6.287 257 HE2 TYR 34 HE2 TYR 34 30.792 -4.464 5.274 258 HH TYR 34 HH TYR 34 32.229 -7.154 7.062 259 H ASP 35 H ASP 35 27.760 -10.073 1.663 260 HA ASP 35 HA ASP 35 30.243 -10.986 2.737 261 HB2 ASP 35 2HB ASP 35 27.656 -12.073 2.274 262 HB3 ASP 35 3HB ASP 35 28.824 -13.118 1.469 263 H ILE 36 H ILE 36 28.990 -10.480 -0.454 264 HA ILE 36 HA ILE 36 31.202 -11.968 -1.664 265 HB ILE 36 HB ILE 36 29.052 -12.408 -2.658 266 HG12 ILE 36 2HG1 ILE 36 31.288 -11.744 -4.053 267 HG13 ILE 36 3HG1 ILE 36 29.825 -12.392 -4.787 268 HG21 ILE 36 1HG2 ILE 36 27.809 -10.568 -3.812 269 HG22 ILE 36 2HG2 ILE 36 27.819 -10.460 -2.053 270 HG23 ILE 36 3HG2 ILE 36 28.879 -9.422 -3.006 271 HD11 ILE 36 3HD1 ILE 36 30.300 -9.448 -4.468 272 HD12 ILE 36 1HD1 ILE 36 30.841 -10.357 -5.879 273 HD13 ILE 36 2HD1 ILE 36 29.122 -10.265 -5.495 274 H ILE 37 H ILE 37 30.223 -8.774 -0.896 275 HA ILE 37 HA ILE 37 31.498 -7.272 -2.868 276 HB ILE 37 HB ILE 37 29.975 -6.442 -0.993 277 HG12 ILE 37 2HG1 ILE 37 31.299 -4.225 -0.862 278 HG13 ILE 37 3HG1 ILE 37 32.476 -5.031 -1.893 279 HG21 ILE 37 1HG2 ILE 37 31.933 -7.423 0.636 280 HG22 ILE 37 2HG2 ILE 37 32.292 -5.697 0.626 281 HG23 ILE 37 3HG2 ILE 37 30.696 -6.263 1.120 282 HD11 ILE 37 3HD1 ILE 37 30.342 -5.530 -3.350 283 HD12 ILE 37 1HD1 ILE 37 29.727 -4.108 -2.509 284 HD13 ILE 37 2HD1 ILE 37 31.205 -3.996 -3.466 285 H ASP 38 H ASP 38 32.826 -9.210 -0.379 286 HA ASP 38 HA ASP 38 35.294 -7.895 0.010 287 HB2 ASP 38 2HB ASP 38 34.337 -9.704 1.474 288 HB3 ASP 38 3HB ASP 38 34.779 -10.866 0.226 289 H GLU 39 H GLU 39 34.162 -10.188 -2.390 290 HA GLU 39 HA GLU 39 36.650 -10.908 -3.482 291 HB2 GLU 39 2HB GLU 39 33.842 -10.884 -4.540 292 HB3 GLU 39 3HB GLU 39 35.185 -11.280 -5.604 293 HG2 GLU 39 2HG GLU 39 34.619 -13.365 -4.911 294 HG3 GLU 39 3HG GLU 39 35.791 -12.950 -3.661 295 H ASN 40 H ASN 40 36.983 -10.363 -5.984 296 HA ASN 40 HA ASN 40 36.593 -7.531 -6.525 297 HB2 ASN 40 2HB ASN 40 38.746 -7.811 -5.196 298 HB3 ASN 40 3HB ASN 40 39.383 -8.683 -6.588 299 HD21 ASN 40 1HD2 ASN 40 40.795 -7.383 -7.518 300 HD22 ASN 40 2HD2 ASN 40 40.518 -5.733 -7.949 301 H ASP 41 H ASP 41 35.946 -10.295 -7.622 302 HA ASP 41 HA ASP 41 37.158 -10.057 -10.283 303 HB2 ASP 41 2HB ASP 41 36.000 -12.292 -8.712 304 HB3 ASP 41 3HB ASP 41 35.746 -12.340 -10.454 305 H THR 42 H THR 42 35.981 -9.641 -12.086 306 HA THR 42 HA THR 42 33.444 -8.385 -11.772 307 HB THR 42 HB THR 42 33.479 -8.023 -14.154 308 HG1 THR 42 HG1 THR 42 35.504 -9.047 -15.204 309 HG21 THR 42 3HG2 THR 42 35.341 -6.661 -14.281 310 HG22 THR 42 1HG2 THR 42 36.380 -7.823 -13.457 311 HG23 THR 42 2HG2 THR 42 35.199 -6.890 -12.539 312 H ASP 43 H ASP 43 34.496 -11.577 -12.701 313 HA ASP 43 HA ASP 43 32.101 -12.446 -13.928 314 HB2 ASP 43 2HB ASP 43 34.473 -13.825 -12.723 315 HB3 ASP 43 3HB ASP 43 33.053 -14.768 -13.166 316 H VAL 44 H VAL 44 33.321 -12.756 -10.605 317 HA VAL 44 HA VAL 44 31.055 -14.160 -9.627 318 HB VAL 44 HB VAL 44 33.179 -14.268 -8.451 319 HG11 VAL 44 1HG1 VAL 44 32.755 -11.349 -7.821 320 HG12 VAL 44 2HG1 VAL 44 34.064 -12.365 -7.216 321 HG13 VAL 44 3HG1 VAL 44 33.957 -11.995 -8.937 322 HG21 VAL 44 3HG2 VAL 44 31.847 -12.956 -6.281 323 HG22 VAL 44 1HG2 VAL 44 30.666 -13.813 -7.272 324 HG23 VAL 44 2HG2 VAL 44 32.040 -14.682 -6.588 325 H MET 45 H MET 45 31.942 -10.747 -9.753 326 HA MET 45 HA MET 45 29.756 -9.829 -8.180 327 HB2 MET 45 2HB MET 45 31.854 -8.593 -9.873 328 HB3 MET 45 3HB MET 45 30.396 -7.645 -9.613 329 HG2 MET 45 2HG MET 45 32.014 -8.844 -7.383 330 HG3 MET 45 3HG MET 45 32.262 -7.215 -8.007 331 HE1 MET 45 3HE MET 45 30.631 -5.599 -8.290 332 HE2 MET 45 1HE MET 45 28.928 -5.712 -7.845 333 HE3 MET 45 2HE MET 45 30.089 -5.015 -6.715 334 H MET 46 H MET 46 30.325 -10.093 -11.670 335 HA MET 46 HA MET 46 27.854 -8.933 -12.440 336 HB2 MET 46 2HB MET 46 28.406 -9.556 -14.642 337 HB3 MET 46 3HB MET 46 29.952 -9.242 -13.865 338 HG2 MET 46 2HG MET 46 30.315 -11.618 -13.564 339 HG3 MET 46 3HG MET 46 28.736 -11.964 -14.265 340 HE1 MET 46 3HE MET 46 28.083 -11.634 -16.682 341 HE2 MET 46 1HE MET 46 28.583 -9.946 -16.789 342 HE3 MET 46 2HE MET 46 29.149 -11.110 -17.987 343 H ASP 47 H ASP 47 28.896 -12.228 -11.778 344 HA ASP 47 HA ASP 47 26.526 -13.488 -12.723 345 HB2 ASP 47 2HB ASP 47 28.529 -14.800 -12.549 346 HB3 ASP 47 3HB ASP 47 28.697 -14.415 -10.838 347 H PHE 48 H PHE 48 27.609 -12.357 -9.555 348 HA PHE 48 HA PHE 48 25.363 -13.370 -8.129 349 HB2 PHE 48 2HB PHE 48 27.304 -12.959 -6.842 350 HB3 PHE 48 3HB PHE 48 27.480 -11.328 -7.481 351 HD1 PHE 48 HD1 PHE 48 25.677 -13.453 -5.111 352 HD2 PHE 48 HD2 PHE 48 26.193 -9.498 -6.597 353 HE1 PHE 48 HE1 PHE 48 24.442 -12.568 -3.176 354 HE2 PHE 48 HE2 PHE 48 24.960 -8.607 -4.664 355 HZ PHE 48 HZ PHE 48 24.083 -10.142 -2.949 356 H ILE 49 H ILE 49 26.201 -10.174 -9.420 357 HA ILE 49 HA ILE 49 23.914 -8.826 -8.488 358 HB ILE 49 HB ILE 49 26.032 -8.276 -10.465 359 HG12 ILE 49 2HG1 ILE 49 25.564 -5.943 -9.275 360 HG13 ILE 49 3HG1 ILE 49 24.743 -6.975 -8.110 361 HG21 ILE 49 1HG2 ILE 49 24.249 -7.823 -11.943 362 HG22 ILE 49 2HG2 ILE 49 23.296 -7.050 -10.677 363 HG23 ILE 49 3HG2 ILE 49 24.745 -6.259 -11.296 364 HD11 ILE 49 3HD1 ILE 49 26.893 -6.755 -7.266 365 HD12 ILE 49 1HD1 ILE 49 26.916 -8.324 -8.070 366 HD13 ILE 49 2HD1 ILE 49 27.638 -6.919 -8.856 367 H SER 50 H SER 50 24.610 -10.331 -11.635 368 HA SER 50 HA SER 50 22.140 -9.719 -12.832 369 HB2 SER 50 2HB SER 50 24.304 -10.565 -13.940 370 HB3 SER 50 3HB SER 50 23.751 -12.179 -13.494 371 HG SER 50 HG SER 50 23.141 -11.199 -15.658 372 H ARG 51 H ARG 51 23.204 -12.445 -10.872 373 HA ARG 51 HA ARG 51 20.827 -13.982 -11.250 374 HB2 ARG 51 2HB ARG 51 23.165 -14.139 -9.377 375 HB3 ARG 51 3HB ARG 51 21.754 -15.155 -9.119 376 HG2 ARG 51 2HG ARG 51 23.361 -15.079 -11.663 377 HG3 ARG 51 3HG ARG 51 23.563 -16.270 -10.377 378 HD2 ARG 51 2HD ARG 51 20.886 -16.409 -10.817 379 HD3 ARG 51 3HD ARG 51 21.480 -16.037 -12.435 380 HE ARG 51 HE ARG 51 22.334 -18.152 -12.557 381 HH11 ARG 51 1HH1 ARG 51 21.701 -17.385 -9.221 382 HH12 ARG 51 2HH1 ARG 51 22.053 -18.983 -8.651 383 HH21 ARG 51 1HH2 ARG 51 22.800 -20.259 -11.820 384 HH22 ARG 51 2HH2 ARG 51 22.679 -20.617 -10.130 385 H PHE 52 H PHE 52 21.844 -11.501 -9.025 386 HA PHE 52 HA PHE 52 19.586 -11.957 -7.252 387 HB2 PHE 52 2HB PHE 52 22.060 -10.332 -7.180 388 HB3 PHE 52 3HB PHE 52 20.665 -9.647 -6.352 389 HD1 PHE 52 HD1 PHE 52 21.544 -13.230 -6.671 390 HD2 PHE 52 HD2 PHE 52 21.303 -9.838 -4.111 391 HE1 PHE 52 HE1 PHE 52 21.997 -14.669 -4.728 392 HE2 PHE 52 HE2 PHE 52 21.757 -11.272 -2.164 393 HZ PHE 52 HZ PHE 52 22.106 -13.690 -2.470 394 H ALA 53 H ALA 53 20.281 -10.191 -10.059 395 HA ALA 53 HA ALA 53 18.034 -8.353 -9.559 396 HB1 ALA 53 1HB ALA 53 20.478 -8.092 -11.278 397 HB2 ALA 53 2HB ALA 53 19.052 -7.087 -11.540 398 HB3 ALA 53 3HB ALA 53 19.904 -7.024 -9.997 399 H ARG 54 H ARG 54 16.662 -7.852 -11.429 400 HA ARG 54 HA ARG 54 16.628 -9.809 -13.578 401 HB2 ARG 54 2HB ARG 54 14.499 -9.605 -11.467 402 HB3 ARG 54 3HB ARG 54 14.108 -10.156 -13.090 403 HG2 ARG 54 2HG ARG 54 15.888 -11.908 -12.812 404 HG3 ARG 54 3HG ARG 54 15.978 -11.432 -11.115 405 HD2 ARG 54 2HD ARG 54 14.518 -13.322 -11.288 406 HD3 ARG 54 3HD ARG 54 13.541 -11.900 -10.921 407 HE ARG 54 HE ARG 54 12.493 -12.143 -12.941 408 HH11 ARG 54 1HH1 ARG 54 15.405 -14.051 -12.930 409 HH12 ARG 54 2HH1 ARG 54 15.054 -14.832 -14.437 410 HH21 ARG 54 1HH2 ARG 54 12.020 -13.165 -14.925 411 HH22 ARG 54 2HH2 ARG 54 13.129 -14.326 -15.571 412 H THR 55 H THR 55 16.857 -6.824 -13.056 413 HA THR 55 HA THR 55 16.123 -4.847 -13.935 414 HB THR 55 HB THR 55 15.127 -5.261 -16.378 415 HG1 THR 55 HG1 THR 55 16.304 -7.246 -17.114 416 HG21 THR 55 3HG2 THR 55 18.029 -5.774 -15.730 417 HG22 THR 55 1HG2 THR 55 17.286 -4.176 -15.757 418 HG23 THR 55 2HG2 THR 55 17.372 -5.134 -17.236 419 H ASP 56 H ASP 56 14.433 -4.421 -12.482 420 HA ASP 56 HA ASP 56 11.750 -4.821 -13.623 421 HB2 ASP 56 2HB ASP 56 12.761 -5.753 -11.089 422 HB3 ASP 56 3HB ASP 56 11.446 -4.610 -10.831 423 H GLU 57 H GLU 57 10.144 -3.238 -12.832 424 HA GLU 57 HA GLU 57 11.399 -0.659 -12.156 425 HB2 GLU 57 2HB GLU 57 9.724 0.448 -13.582 426 HB3 GLU 57 3HB GLU 57 10.749 -0.646 -14.500 427 HG2 GLU 57 2HG GLU 57 8.828 -2.352 -14.083 428 HG3 GLU 57 3HG GLU 57 7.868 -0.904 -13.783 429 H ILE 58 H ILE 58 9.331 0.930 -11.702 430 HA ILE 58 HA ILE 58 7.891 -0.402 -9.507 431 HB ILE 58 HB ILE 58 7.546 2.086 -8.783 432 HG12 ILE 58 2HG1 ILE 58 8.745 2.733 -11.043 433 HG13 ILE 58 3HG1 ILE 58 9.007 3.682 -9.584 434 HG21 ILE 58 1HG2 ILE 58 8.750 0.499 -7.447 435 HG22 ILE 58 2HG2 ILE 58 10.154 0.604 -8.508 436 HG23 ILE 58 3HG2 ILE 58 9.688 1.991 -7.523 437 HD11 ILE 58 3HD1 ILE 58 10.841 1.418 -10.182 438 HD12 ILE 58 1HD1 ILE 58 11.012 2.931 -11.072 439 HD13 ILE 58 2HD1 ILE 58 11.147 2.922 -9.313 440 H MET 59 H MET 59 5.734 -0.499 -9.541 441 HA MET 59 HA MET 59 4.309 0.425 -11.848 442 HB2 MET 59 2HB MET 59 3.800 -1.338 -9.576 443 HB3 MET 59 3HB MET 59 2.396 -0.376 -10.018 444 HG2 MET 59 2HG MET 59 2.043 -1.533 -11.891 445 HG3 MET 59 3HG MET 59 3.756 -1.576 -12.301 446 HE1 MET 59 3HE MET 59 1.957 -4.815 -12.595 447 HE2 MET 59 1HE MET 59 1.040 -4.638 -11.099 448 HE3 MET 59 2HE MET 59 1.093 -3.313 -12.262 449 HA PRO 60 HA PRO 60 2.646 4.243 -10.470 450 HB2 PRO 60 2HB PRO 60 0.044 4.108 -11.233 451 HB3 PRO 60 3HB PRO 60 1.374 4.296 -12.382 452 HG2 PRO 60 2HG PRO 60 -0.127 1.824 -11.610 453 HG3 PRO 60 3HG PRO 60 0.385 2.365 -13.219 454 HD2 PRO 60 2HD PRO 60 1.734 0.481 -11.818 455 HD3 PRO 60 3HD PRO 60 2.542 1.610 -12.925 456 H GLU 61 H GLU 61 1.239 1.315 -9.285 457 HA GLU 61 HA GLU 61 -0.412 2.649 -7.309 458 HB2 GLU 61 2HB GLU 61 -1.223 0.515 -6.730 459 HB3 GLU 61 3HB GLU 61 -1.003 0.459 -8.473 460 HG2 GLU 61 2HG GLU 61 1.315 -0.539 -7.902 461 HG3 GLU 61 3HG GLU 61 0.595 -0.862 -6.326 462 H ASP 62 H ASP 62 2.787 1.477 -7.581 463 HA ASP 62 HA ASP 62 3.134 1.667 -4.660 464 HB2 ASP 62 2HB ASP 62 5.147 0.261 -6.358 465 HB3 ASP 62 3HB ASP 62 4.684 -0.040 -4.685 466 H LYS 63 H LYS 63 5.841 1.856 -4.491 467 HA LYS 63 HA LYS 63 6.716 4.047 -6.199 468 HB2 LYS 63 2HB LYS 63 7.398 4.842 -3.567 469 HB3 LYS 63 3HB LYS 63 6.341 5.663 -4.708 470 HG2 LYS 63 2HG LYS 63 4.481 4.185 -3.874 471 HG3 LYS 63 3HG LYS 63 5.579 3.674 -2.589 472 HD2 LYS 63 2HD LYS 63 5.217 6.590 -3.037 473 HD3 LYS 63 3HD LYS 63 3.896 5.701 -2.276 474 HE2 LYS 63 2HE LYS 63 5.374 4.920 -0.534 475 HE3 LYS 63 3HE LYS 63 6.759 5.665 -1.329 476 HZ1 LYS 63 3HZ LYS 63 6.207 7.198 0.281 477 HZ2 LYS 63 1HZ LYS 63 4.541 6.955 0.115 478 HZ3 LYS 63 2HZ LYS 63 5.392 7.817 -1.065 479 H THR 64 H THR 64 8.992 4.815 -5.122 480 HA THR 64 HA THR 64 10.510 2.330 -4.657 481 HB THR 64 HB THR 64 10.881 4.412 -6.651 482 HG1 THR 64 HG1 THR 64 12.432 2.067 -6.372 483 HG21 THR 64 3HG2 THR 64 13.206 3.727 -4.853 484 HG22 THR 64 1HG2 THR 64 12.533 5.327 -5.163 485 HG23 THR 64 2HG2 THR 64 13.371 4.458 -6.449 486 H VAL 65 H VAL 65 11.698 2.247 -2.861 487 HA VAL 65 HA VAL 65 11.573 4.136 -0.838 488 HB VAL 65 HB VAL 65 13.996 2.397 -1.058 489 HG11 VAL 65 1HG1 VAL 65 13.265 3.968 0.905 490 HG12 VAL 65 2HG1 VAL 65 12.198 2.623 1.312 491 HG13 VAL 65 3HG1 VAL 65 13.943 2.375 1.240 492 HG21 VAL 65 3HG2 VAL 65 11.253 1.479 -1.295 493 HG22 VAL 65 1HG2 VAL 65 12.763 0.594 -1.511 494 HG23 VAL 65 2HG2 VAL 65 12.071 0.779 0.101 495 H GLY 66 H GLY 66 14.142 3.626 -3.242 496 HA2 GLY 66 2HA GLY 66 14.854 6.150 -3.806 497 HA3 GLY 66 3HA GLY 66 15.633 5.911 -2.250 498 H PHE 67 H PHE 67 17.571 6.369 -3.595 499 HA PHE 67 HA PHE 67 18.571 3.871 -4.790 500 HB2 PHE 67 2HB PHE 67 19.370 6.633 -5.711 501 HB3 PHE 67 3HB PHE 67 19.748 5.093 -6.476 502 HD1 PHE 67 HD2 PHE 67 17.193 3.729 -6.538 503 HD2 PHE 67 HD1 PHE 67 18.096 7.834 -7.208 504 HE1 PHE 67 HE2 PHE 67 15.188 3.936 -7.949 505 HE2 PHE 67 HE1 PHE 67 16.092 8.048 -8.619 506 HZ PHE 67 HZ PHE 67 14.634 6.098 -8.990 507 H VAL 68 H VAL 68 20.595 3.230 -4.216 508 HA VAL 68 HA VAL 68 22.010 4.931 -2.268 509 HB VAL 68 HB VAL 68 21.804 1.924 -2.396 510 HG11 VAL 68 1HG1 VAL 68 23.205 2.479 -0.117 511 HG12 VAL 68 2HG1 VAL 68 23.911 1.909 -1.631 512 HG13 VAL 68 3HG1 VAL 68 23.889 3.634 -1.261 513 HG21 VAL 68 3HG2 VAL 68 20.587 4.041 -0.776 514 HG22 VAL 68 1HG2 VAL 68 20.039 2.395 -1.093 515 HG23 VAL 68 2HG2 VAL 68 21.246 2.698 0.157 516 H VAL 69 H VAL 69 24.066 5.461 -2.683 517 HA VAL 69 HA VAL 69 25.353 4.214 -5.019 518 HB VAL 69 HB VAL 69 25.894 6.917 -3.781 519 HG11 VAL 69 1HG1 VAL 69 27.795 6.948 -4.924 520 HG12 VAL 69 2HG1 VAL 69 27.500 5.292 -5.457 521 HG13 VAL 69 3HG1 VAL 69 26.914 6.648 -6.422 522 HG21 VAL 69 3HG2 VAL 69 25.051 7.375 -6.328 523 HG22 VAL 69 1HG2 VAL 69 24.052 5.996 -5.868 524 HG23 VAL 69 2HG2 VAL 69 24.024 7.469 -4.898 525 H VAL 70 H VAL 70 26.973 2.874 -4.611 526 HA VAL 70 HA VAL 70 28.612 3.328 -2.204 527 HB VAL 70 HB VAL 70 27.659 0.703 -3.342 528 HG11 VAL 70 1HG1 VAL 70 30.047 1.339 -1.756 529 HG12 VAL 70 2HG1 VAL 70 29.058 0.024 -1.120 530 HG13 VAL 70 3HG1 VAL 70 29.692 -0.064 -2.764 531 HG21 VAL 70 3HG2 VAL 70 27.430 1.723 -0.523 532 HG22 VAL 70 1HG2 VAL 70 26.207 2.045 -1.751 533 HG23 VAL 70 2HG2 VAL 70 26.564 0.384 -1.277 534 H ASN 71 H ASN 71 30.599 3.900 -2.767 535 HA ASN 71 HA ASN 71 31.793 2.659 -5.159 536 HB2 ASN 71 2HB ASN 71 32.368 5.431 -4.089 537 HB3 ASN 71 3HB ASN 71 33.035 4.712 -5.552 538 HD21 ASN 71 1HD2 ASN 71 30.647 6.660 -4.308 539 HD22 ASN 71 2HD2 ASN 71 29.577 6.676 -5.665 540 H ALA 72 H ALA 72 33.228 1.200 -4.500 541 HA ALA 72 HA ALA 72 34.511 1.273 -1.963 542 HB1 ALA 72 1HB ALA 72 35.617 -0.724 -2.629 543 HB2 ALA 72 2HB ALA 72 33.978 -0.796 -3.278 544 HB3 ALA 72 3HB ALA 72 35.329 -0.390 -4.336 545 H ASP 73 H ASP 73 35.449 2.225 -5.214 546 HA ASP 73 HA ASP 73 38.199 2.553 -4.799 547 HB2 ASP 73 2HB ASP 73 37.615 2.668 -7.034 548 HB3 ASP 73 3HB ASP 73 36.216 3.692 -6.724 549 H LYS 74 H LYS 74 35.481 4.695 -4.155 550 HA LYS 74 HA LYS 74 37.278 6.792 -3.208 551 HB2 LYS 74 2HB LYS 74 34.295 6.679 -3.642 552 HB3 LYS 74 3HB LYS 74 35.085 8.038 -2.854 553 HG2 LYS 74 2HG LYS 74 35.814 7.080 -5.608 554 HG3 LYS 74 3HG LYS 74 34.605 8.327 -5.297 555 HD2 LYS 74 2HD LYS 74 37.330 8.588 -4.102 556 HD3 LYS 74 3HD LYS 74 37.086 8.987 -5.805 557 HE2 LYS 74 2HE LYS 74 35.456 10.645 -5.251 558 HE3 LYS 74 3HE LYS 74 35.437 10.141 -3.562 559 HZ1 LYS 74 3HZ LYS 74 37.569 11.578 -5.021 560 HZ2 LYS 74 1HZ LYS 74 37.879 10.777 -3.563 561 HZ3 LYS 74 2HZ LYS 74 36.760 12.044 -3.610 562 H LYS 75 H LYS 75 35.631 4.121 -1.997 563 HA LYS 75 HA LYS 75 35.250 3.325 0.099 564 HB2 LYS 75 2HB LYS 75 37.340 5.413 0.588 565 HB3 LYS 75 3HB LYS 75 36.575 4.620 1.958 566 HG2 LYS 75 2HG LYS 75 37.457 2.545 1.413 567 HG3 LYS 75 3HG LYS 75 37.770 3.009 -0.261 568 HD2 LYS 75 2HD LYS 75 39.172 4.463 1.935 569 HD3 LYS 75 3HD LYS 75 39.730 2.851 1.481 570 HE2 LYS 75 2HE LYS 75 39.341 5.100 -0.485 571 HE3 LYS 75 3HE LYS 75 40.877 4.756 0.311 572 HZ1 LYS 75 3HZ LYS 75 41.285 3.153 -1.142 573 HZ2 LYS 75 1HZ LYS 75 39.904 3.612 -2.005 574 HZ3 LYS 75 2HZ LYS 75 39.803 2.398 -0.832 575 H LEU 76 H LEU 76 33.347 5.092 -0.937 576 HA LEU 76 HA LEU 76 32.250 6.167 1.555 577 HB2 LEU 76 2HB LEU 76 31.343 8.060 -0.057 578 HB3 LEU 76 3HB LEU 76 32.883 8.202 0.788 579 HG LEU 76 HG LEU 76 33.968 7.326 -1.330 580 HD11 LEU 76 1HD1 LEU 76 32.090 6.355 -2.435 581 HD12 LEU 76 2HD1 LEU 76 32.636 7.725 -3.401 582 HD13 LEU 76 3HD1 LEU 76 31.202 7.878 -2.385 583 HD21 LEU 76 3HD2 LEU 76 33.764 9.545 -2.475 584 HD22 LEU 76 1HD2 LEU 76 34.183 9.629 -0.763 585 HD23 LEU 76 2HD2 LEU 76 32.533 9.974 -1.285 586 H MET 77 H MET 77 29.988 6.210 1.655 587 HA MET 77 HA MET 77 28.507 5.146 -0.627 588 HB2 MET 77 2HB MET 77 28.318 3.928 2.132 589 HB3 MET 77 3HB MET 77 27.416 3.433 0.706 590 HG2 MET 77 2HG MET 77 29.278 2.473 -0.294 591 HG3 MET 77 3HG MET 77 30.404 3.369 0.723 592 HE1 MET 77 3HE MET 77 29.194 2.506 3.949 593 HE2 MET 77 1HE MET 77 30.723 1.626 3.898 594 HE3 MET 77 2HE MET 77 30.578 3.190 3.095 595 H SER 78 H SER 78 26.658 6.209 -0.910 596 HA SER 78 HA SER 78 25.504 7.640 1.393 597 HB2 SER 78 2HB SER 78 25.232 8.646 -1.427 598 HB3 SER 78 3HB SER 78 25.065 9.535 0.087 599 HG SER 78 HG SER 78 27.203 9.692 0.256 600 H VAL 79 H VAL 79 23.354 7.443 1.728 601 HA VAL 79 HA VAL 79 21.832 5.852 -0.234 602 HB VAL 79 HB VAL 79 21.521 5.905 2.771 603 HG11 VAL 79 1HG1 VAL 79 19.413 5.295 2.392 604 HG12 VAL 79 2HG1 VAL 79 19.698 5.138 0.658 605 HG13 VAL 79 3HG1 VAL 79 20.054 3.788 1.737 606 HG21 VAL 79 3HG2 VAL 79 21.949 3.310 2.022 607 HG22 VAL 79 1HG2 VAL 79 23.000 4.195 0.916 608 HG23 VAL 79 2HG2 VAL 79 23.180 4.400 2.659 609 H SER 80 H SER 80 20.277 6.954 -1.206 610 HA SER 80 HA SER 80 19.031 9.205 0.233 611 HB2 SER 80 2HB SER 80 20.420 9.546 -1.982 612 HB3 SER 80 3HB SER 80 18.933 8.992 -2.752 613 HG SER 80 HG SER 80 19.500 11.394 -1.641 614 H PHE 81 H PHE 81 17.006 8.864 0.828 615 HA PHE 81 HA PHE 81 15.248 7.297 -0.921 616 HB2 PHE 81 2HB PHE 81 14.239 6.333 1.240 617 HB3 PHE 81 3HB PHE 81 15.773 5.668 0.690 618 HD1 PHE 81 HD2 PHE 81 14.514 8.419 2.876 619 HD2 PHE 81 HD1 PHE 81 17.415 5.366 2.259 620 HE1 PHE 81 HE2 PHE 81 15.514 8.931 5.064 621 HE2 PHE 81 HE1 PHE 81 18.419 5.872 4.447 622 HZ PHE 81 HZ PHE 81 17.470 7.658 5.852 623 H SER 82 H SER 82 12.979 7.713 -0.610 624 HA SER 82 HA SER 82 12.508 10.453 0.309 625 HB2 SER 82 2HB SER 82 11.860 9.628 -2.035 626 HB3 SER 82 3HB SER 82 10.558 8.747 -1.235 627 HG SER 82 HG SER 82 10.739 11.384 -1.831 628 H ASP 83 H ASP 83 10.192 10.799 1.177 629 HA ASP 83 HA ASP 83 9.850 10.016 3.676 630 HB2 ASP 83 2HB ASP 83 7.519 10.006 1.749 631 HB3 ASP 83 3HB ASP 83 7.457 10.317 3.482 632 H ILE 84 H ILE 84 10.457 8.024 4.357 633 HA ILE 84 HA ILE 84 8.833 5.755 3.410 634 HB ILE 84 HB ILE 84 10.830 4.312 4.015 635 HG12 ILE 84 2HG1 ILE 84 12.552 6.699 3.545 636 HG13 ILE 84 3HG1 ILE 84 11.876 6.482 5.155 637 HG21 ILE 84 1HG2 ILE 84 11.107 4.208 1.816 638 HG22 ILE 84 2HG2 ILE 84 10.172 5.694 1.666 639 HG23 ILE 84 3HG2 ILE 84 11.928 5.769 1.804 640 HD11 ILE 84 3HD1 ILE 84 13.716 5.273 5.514 641 HD12 ILE 84 1HD1 ILE 84 12.849 4.003 4.651 642 HD13 ILE 84 2HD1 ILE 84 14.008 5.020 3.794 643 H ASP 85 H ASP 85 8.416 4.090 4.964 644 HA ASP 85 HA ASP 85 7.741 5.078 7.523 645 HB2 ASP 85 2HB ASP 85 7.888 2.233 6.506 646 HB3 ASP 85 3HB ASP 85 7.153 2.716 8.032 647 H GLU 86 H GLU 86 8.497 4.316 9.594 648 HA GLU 86 HA GLU 86 11.327 4.382 9.804 649 HB2 GLU 86 2HB GLU 86 10.923 4.003 12.225 650 HB3 GLU 86 3HB GLU 86 9.973 5.325 11.563 651 HG2 GLU 86 2HG GLU 86 8.007 3.937 11.489 652 HG3 GLU 86 3HG GLU 86 8.939 2.536 12.016 653 H ASN 87 H ASN 87 8.983 1.826 9.640 654 HA ASN 87 HA ASN 87 10.443 -0.267 10.789 655 HB2 ASN 87 2HB ASN 87 8.220 -0.102 8.797 656 HB3 ASN 87 3HB ASN 87 9.032 -1.647 9.030 657 HD21 ASN 87 1HD2 ASN 87 6.290 -0.735 9.660 658 HD22 ASN 87 2HD2 ASN 87 6.071 -1.079 11.339 659 H MET 88 H MET 88 10.248 0.782 7.393 660 HA MET 88 HA MET 88 12.232 -1.109 6.540 661 HB2 MET 88 2HB MET 88 12.089 0.121 4.373 662 HB3 MET 88 3HB MET 88 10.539 -0.461 4.963 663 HG2 MET 88 2HG MET 88 10.511 1.992 6.024 664 HG3 MET 88 3HG MET 88 11.527 2.295 4.616 665 HE1 MET 88 3HE MET 88 10.688 0.883 2.252 666 HE2 MET 88 1HE MET 88 9.846 -0.413 3.102 667 HE3 MET 88 2HE MET 88 8.979 0.581 1.931 668 H LYS 89 H LYS 89 12.174 2.281 7.439 669 HA LYS 89 HA LYS 89 14.617 3.139 6.464 670 HB2 LYS 89 2HB LYS 89 12.826 4.488 7.680 671 HB3 LYS 89 3HB LYS 89 13.549 3.914 9.177 672 HG2 LYS 89 2HG LYS 89 15.376 5.150 7.210 673 HG3 LYS 89 3HG LYS 89 14.226 6.218 8.019 674 HD2 LYS 89 2HD LYS 89 15.056 4.987 10.174 675 HD3 LYS 89 3HD LYS 89 16.458 4.603 9.173 676 HE2 LYS 89 2HE LYS 89 17.111 6.583 10.159 677 HE3 LYS 89 3HE LYS 89 16.429 7.149 8.635 678 HZ1 LYS 89 3HZ LYS 89 14.562 6.945 10.845 679 HZ2 LYS 89 1HZ LYS 89 14.725 8.153 9.671 680 HZ3 LYS 89 2HZ LYS 89 15.754 8.134 11.014 681 H LYS 90 H LYS 90 13.903 1.285 9.376 682 HA LYS 90 HA LYS 90 16.413 1.399 10.595 683 HB2 LYS 90 2HB LYS 90 15.697 -0.367 11.954 684 HB3 LYS 90 3HB LYS 90 14.201 0.431 11.488 685 HG2 LYS 90 2HG LYS 90 13.586 -1.714 11.108 686 HG3 LYS 90 3HG LYS 90 14.301 -1.360 9.533 687 HD2 LYS 90 2HD LYS 90 15.414 -3.290 9.965 688 HD3 LYS 90 3HD LYS 90 16.496 -2.186 10.816 689 HE2 LYS 90 2HE LYS 90 16.067 -4.011 12.277 690 HE3 LYS 90 3HE LYS 90 15.159 -2.631 12.892 691 HZ1 LYS 90 3HZ LYS 90 14.173 -5.082 11.615 692 HZ2 LYS 90 1HZ LYS 90 13.278 -3.658 11.435 693 HZ3 LYS 90 2HZ LYS 90 13.590 -4.271 12.980 694 H VAL 91 H VAL 91 15.191 -0.672 8.026 695 HA VAL 91 HA VAL 91 17.446 -2.419 7.975 696 HB VAL 91 HB VAL 91 16.390 -3.539 6.310 697 HG11 VAL 91 1HG1 VAL 91 14.072 -3.550 6.633 698 HG12 VAL 91 2HG1 VAL 91 14.719 -2.922 8.150 699 HG13 VAL 91 3HG1 VAL 91 14.019 -1.819 6.965 700 HG21 VAL 91 3HG2 VAL 91 16.758 -2.003 4.539 701 HG22 VAL 91 1HG2 VAL 91 15.037 -2.385 4.521 702 HG23 VAL 91 2HG2 VAL 91 15.594 -0.855 5.200 703 H ILE 92 H ILE 92 16.558 0.535 6.279 704 HA ILE 92 HA ILE 92 18.653 0.462 4.370 705 HB ILE 92 HB ILE 92 17.427 3.011 5.379 706 HG12 ILE 92 2HG1 ILE 92 16.165 0.888 3.649 707 HG13 ILE 92 3HG1 ILE 92 15.510 1.640 5.100 708 HG21 ILE 92 1HG2 ILE 92 18.167 3.928 3.462 709 HG22 ILE 92 2HG2 ILE 92 19.280 2.561 3.464 710 HG23 ILE 92 3HG2 ILE 92 17.798 2.491 2.510 711 HD11 ILE 92 3HD1 ILE 92 15.579 3.816 3.714 712 HD12 ILE 92 1HD1 ILE 92 15.700 2.732 2.329 713 HD13 ILE 92 2HD1 ILE 92 14.305 2.636 3.405 714 H LYS 93 H LYS 93 18.302 2.164 7.473 715 HA LYS 93 HA LYS 93 20.842 3.394 7.422 716 HB2 LYS 93 2HB LYS 93 18.782 3.894 8.914 717 HB3 LYS 93 3HB LYS 93 19.426 2.638 9.963 718 HG2 LYS 93 2HG LYS 93 21.448 3.872 10.306 719 HG3 LYS 93 3HG LYS 93 20.974 5.071 9.100 720 HD2 LYS 93 2HD LYS 93 19.041 5.679 10.510 721 HD3 LYS 93 3HD LYS 93 19.594 4.528 11.729 722 HE2 LYS 93 2HE LYS 93 21.724 5.790 11.880 723 HE3 LYS 93 3HE LYS 93 21.062 6.977 10.758 724 HZ1 LYS 93 3HZ LYS 93 19.177 6.697 12.746 725 HZ2 LYS 93 1HZ LYS 93 20.224 8.006 12.516 726 HZ3 LYS 93 2HZ LYS 93 20.661 6.746 13.556 727 H ALA 94 H ALA 94 19.697 0.335 8.775 728 HA ALA 94 HA ALA 94 22.104 -0.370 10.079 729 HB1 ALA 94 1HB ALA 94 19.797 -2.031 9.089 730 HB2 ALA 94 2HB ALA 94 21.151 -2.694 10.005 731 HB3 ALA 94 3HB ALA 94 20.107 -1.475 10.734 732 H THR 95 H THR 95 20.935 -0.814 6.800 733 HA THR 95 HA THR 95 22.917 -2.675 5.983 734 HB THR 95 HB THR 95 21.155 -0.800 4.405 735 HG1 THR 95 HG1 THR 95 19.808 -2.400 4.667 736 HG21 THR 95 3HG2 THR 95 22.536 -1.105 2.672 737 HG22 THR 95 1HG2 THR 95 22.027 -2.793 2.686 738 HG23 THR 95 2HG2 THR 95 23.486 -2.305 3.547 739 H ALA 96 H ALA 96 22.636 0.852 5.656 740 HA ALA 96 HA ALA 96 25.079 1.197 4.264 741 HB1 ALA 96 1HB ALA 96 23.886 3.336 5.982 742 HB2 ALA 96 2HB ALA 96 24.697 3.476 4.422 743 HB3 ALA 96 3HB ALA 96 23.067 2.809 4.511 744 H GLU 97 H GLU 97 24.205 1.510 7.693 745 HA GLU 97 HA GLU 97 26.777 2.299 8.570 746 HB2 GLU 97 2HB GLU 97 25.950 2.097 10.750 747 HB3 GLU 97 3HB GLU 97 24.527 2.496 9.798 748 HG2 GLU 97 2HG GLU 97 23.710 0.803 11.087 749 HG3 GLU 97 3HG GLU 97 24.252 -0.101 9.674 750 H LYS 98 H LYS 98 25.261 -0.814 8.051 751 HA LYS 98 HA LYS 98 27.002 -2.464 9.464 752 HB2 LYS 98 2HB LYS 98 25.111 -2.784 7.228 753 HB3 LYS 98 3HB LYS 98 26.391 -3.989 7.284 754 HG2 LYS 98 2HG LYS 98 25.212 -3.549 9.891 755 HG3 LYS 98 3HG LYS 98 24.012 -4.034 8.691 756 HD2 LYS 98 2HD LYS 98 24.834 -6.037 9.642 757 HD3 LYS 98 3HD LYS 98 25.597 -5.903 8.056 758 HE2 LYS 98 2HE LYS 98 27.657 -5.262 8.984 759 HE3 LYS 98 3HE LYS 98 26.933 -4.892 10.548 760 HZ1 LYS 98 3HZ LYS 98 28.114 -6.953 10.693 761 HZ2 LYS 98 1HZ LYS 98 27.295 -7.587 9.355 762 HZ3 LYS 98 2HZ LYS 98 26.459 -7.285 10.794 763 H PHE 99 H PHE 99 27.311 -1.042 6.255 764 HA PHE 99 HA PHE 99 29.568 -2.479 5.403 765 HB2 PHE 99 2HB PHE 99 28.262 0.081 4.629 766 HB3 PHE 99 3HB PHE 99 29.915 -0.180 4.083 767 HD1 PHE 99 HD1 PHE 99 30.356 -2.512 2.962 768 HD2 PHE 99 HD2 PHE 99 26.528 -0.689 3.335 769 HE1 PHE 99 HE1 PHE 99 29.523 -3.889 1.101 770 HE2 PHE 99 HE2 PHE 99 25.689 -2.064 1.475 771 HZ PHE 99 HZ PHE 99 27.187 -3.665 0.355 772 H LYS 100 H LYS 100 29.215 0.312 7.474 773 HA LYS 100 HA LYS 100 31.858 1.246 7.441 774 HB2 LYS 100 2HB LYS 100 29.822 2.379 8.449 775 HB3 LYS 100 3HB LYS 100 30.023 1.315 9.836 776 HG2 LYS 100 2HG LYS 100 31.882 2.398 10.575 777 HG3 LYS 100 3HG LYS 100 32.376 2.892 8.954 778 HD2 LYS 100 2HD LYS 100 29.850 4.088 9.699 779 HD3 LYS 100 3HD LYS 100 31.110 4.463 10.876 780 HE2 LYS 100 2HE LYS 100 32.504 4.920 8.665 781 HE3 LYS 100 3HE LYS 100 30.894 5.209 8.008 782 HZ1 LYS 100 3HZ LYS 100 32.464 6.899 9.625 783 HZ2 LYS 100 1HZ LYS 100 31.029 6.534 10.444 784 HZ3 LYS 100 2HZ LYS 100 30.970 7.218 8.899 785 H ASN 101 H ASN 101 30.380 -1.455 9.063 786 HA ASN 101 HA ASN 101 32.316 -1.904 11.051 787 HB2 ASN 101 2HB ASN 101 30.595 -3.943 9.622 788 HB3 ASN 101 3HB ASN 101 31.414 -4.178 11.164 789 HD21 ASN 101 1HD2 ASN 101 30.115 -4.033 12.828 790 HD22 ASN 101 2HD2 ASN 101 28.727 -3.013 12.959 791 H LYS 102 H LYS 102 32.466 -2.244 7.672 792 HA LYS 102 HA LYS 102 34.681 -4.153 7.791 793 HB2 LYS 102 2HB LYS 102 32.647 -4.064 6.056 794 HB3 LYS 102 3HB LYS 102 33.764 -3.006 5.205 795 HG2 LYS 102 2HG LYS 102 35.477 -4.886 5.510 796 HG3 LYS 102 3HG LYS 102 34.087 -5.899 5.908 797 HD2 LYS 102 2HD LYS 102 33.433 -6.025 3.768 798 HD3 LYS 102 3HD LYS 102 33.700 -4.301 3.496 799 HE2 LYS 102 2HE LYS 102 35.991 -4.631 3.031 800 HE3 LYS 102 3HE LYS 102 35.961 -6.276 3.664 801 HZ1 LYS 102 3HZ LYS 102 34.392 -6.805 1.807 802 HZ2 LYS 102 1HZ LYS 102 35.970 -6.433 1.322 803 HZ3 LYS 102 2HZ LYS 102 34.740 -5.284 1.152 804 H GLY 103 H GLY 103 34.192 -0.856 7.878 805 HA2 GLY 103 2HA GLY 103 36.026 0.644 8.161 806 HA3 GLY 103 3HA GLY 103 36.993 -0.392 7.122 807 H PHE 104 H PHE 104 34.009 1.554 6.970 808 HA PHE 104 HA PHE 104 35.018 2.928 4.628 809 HB2 PHE 104 2HB PHE 104 32.560 1.175 4.518 810 HB3 PHE 104 3HB PHE 104 32.924 2.414 3.321 811 HD1 PHE 104 HD1 PHE 104 34.803 2.152 1.790 812 HD2 PHE 104 HD2 PHE 104 33.774 -0.889 4.585 813 HE1 PHE 104 HE1 PHE 104 36.184 0.542 0.543 814 HE2 PHE 104 HE2 PHE 104 35.154 -2.503 3.342 815 HZ PHE 104 HZ PHE 104 36.360 -1.789 1.318 816 H LYS 105 H LYS 105 33.383 4.600 3.869 817 HA LYS 105 HA LYS 105 32.160 5.812 6.245 818 HB2 LYS 105 2HB LYS 105 33.830 7.189 5.137 819 HB3 LYS 105 3HB LYS 105 32.985 7.029 3.603 820 HG2 LYS 105 2HG LYS 105 32.492 9.179 4.489 821 HG3 LYS 105 3HG LYS 105 31.036 8.192 4.637 822 HD2 LYS 105 2HD LYS 105 31.243 9.340 6.689 823 HD3 LYS 105 3HD LYS 105 31.789 7.692 7.008 824 HE2 LYS 105 2HE LYS 105 34.060 8.343 7.007 825 HE3 LYS 105 3HE LYS 105 33.687 9.913 6.298 826 HZ1 LYS 105 3HZ LYS 105 32.538 10.515 8.343 827 HZ2 LYS 105 1HZ LYS 105 34.152 10.113 8.652 828 HZ3 LYS 105 2HZ LYS 105 32.921 9.014 9.023 829 H VAL 106 H VAL 106 30.021 6.001 6.424 830 HA VAL 106 HA VAL 106 28.377 5.650 4.003 831 HB VAL 106 HB VAL 106 27.624 3.755 4.916 832 HG11 VAL 106 1HG1 VAL 106 28.742 4.680 7.560 833 HG12 VAL 106 2HG1 VAL 106 28.050 3.086 7.256 834 HG13 VAL 106 3HG1 VAL 106 29.515 3.589 6.411 835 HG21 VAL 106 3HG2 VAL 106 26.410 5.534 7.028 836 HG22 VAL 106 1HG2 VAL 106 25.774 5.336 5.395 837 HG23 VAL 106 2HG2 VAL 106 25.817 3.960 6.498 838 H GLU 107 H GLU 107 26.810 7.117 3.676 839 HA GLU 107 HA GLU 107 26.109 8.921 5.892 840 HB2 GLU 107 2HB GLU 107 27.617 10.168 4.511 841 HB3 GLU 107 3HB GLU 107 26.786 9.663 3.047 842 HG2 GLU 107 2HG GLU 107 24.852 10.971 3.639 843 HG3 GLU 107 3HG GLU 107 25.578 11.398 5.188 844 H THR 108 H THR 108 24.001 9.733 5.892 845 HA THR 108 HA THR 108 22.158 8.397 4.019 846 HB THR 108 HB THR 108 20.464 8.690 5.948 847 HG1 THR 108 HG1 THR 108 22.863 8.678 7.481 848 HG21 THR 108 3HG2 THR 108 22.531 6.659 5.510 849 HG22 THR 108 1HG2 THR 108 20.788 6.477 5.703 850 HG23 THR 108 2HG2 THR 108 21.822 6.628 7.124 851 H ASP 109 H ASP 109 20.759 9.639 2.925 852 HA ASP 109 HA ASP 109 20.365 12.418 3.805 853 HB2 ASP 109 2HB ASP 109 21.899 11.714 1.615 854 HB3 ASP 109 3HB ASP 109 20.332 12.087 0.901 855 H MET 110 H MET 110 18.540 13.422 2.333 856 HA MET 110 HA MET 110 16.405 11.434 1.970 857 HB2 MET 110 2HB MET 110 14.796 12.946 3.011 858 HB3 MET 110 3HB MET 110 16.081 12.537 4.139 859 HG2 MET 110 2HG MET 110 17.129 14.669 3.806 860 HG3 MET 110 3HG MET 110 15.983 15.075 2.530 861 HE1 MET 110 3HE MET 110 16.852 16.747 4.933 862 HE2 MET 110 1HE MET 110 15.592 17.077 6.122 863 HE3 MET 110 2HE MET 110 16.668 15.696 6.338 Start of MODEL 7 1 H1 MET 1 H MET 1 2.090 -0.188 1.131 2 HA MET 1 HA MET 1 1.535 -0.650 -1.665 3 HB2 MET 1 2HB MET 1 3.186 1.409 -2.100 4 HB3 MET 1 3HB MET 1 1.437 1.586 -2.075 5 HG2 MET 1 2HG MET 1 2.516 3.344 -0.800 6 HG3 MET 1 3HG MET 1 1.528 2.320 0.239 7 HE1 MET 1 3HE MET 1 5.383 0.880 -0.681 8 HE2 MET 1 1HE MET 1 4.832 2.370 -1.447 9 HE3 MET 1 2HE MET 1 6.037 2.434 -0.161 10 H THR 2 H THR 2 3.672 -0.706 -2.926 11 HA THR 2 HA THR 2 5.652 -2.077 -1.243 12 HB THR 2 HB THR 2 5.800 -2.259 -4.208 13 HG1 THR 2 HG1 THR 2 3.984 -3.921 -2.817 14 HG21 THR 2 3HG2 THR 2 6.363 -4.002 -1.841 15 HG22 THR 2 1HG2 THR 2 7.430 -3.538 -3.165 16 HG23 THR 2 2HG2 THR 2 6.152 -4.722 -3.436 17 H LEU 3 H LEU 3 7.672 -1.321 -1.034 18 HA LEU 3 HA LEU 3 8.448 0.983 -2.700 19 HB2 LEU 3 2HB LEU 3 8.260 0.749 0.096 20 HB3 LEU 3 3HB LEU 3 9.981 0.784 -0.284 21 HG LEU 3 HG LEU 3 9.929 2.957 -0.960 22 HD11 LEU 3 1HD1 LEU 3 7.196 2.304 -1.943 23 HD12 LEU 3 2HD1 LEU 3 8.561 3.023 -2.795 24 HD13 LEU 3 3HD1 LEU 3 7.622 3.991 -1.659 25 HD21 LEU 3 3HD2 LEU 3 7.944 2.453 1.153 26 HD22 LEU 3 1HD2 LEU 3 7.852 4.040 0.388 27 HD23 LEU 3 2HD2 LEU 3 9.355 3.513 1.144 28 H CYS 4 H CYS 4 10.292 0.861 -3.830 29 HA CYS 4 HA CYS 4 12.087 -1.413 -3.287 30 HB2 CYS 4 2HB CYS 4 11.836 -2.102 -5.397 31 HB3 CYS 4 3HB CYS 4 10.623 -0.850 -5.636 32 HG CYS 4 HG CYS 4 12.760 -0.996 -7.641 33 H ALA 5 H ALA 5 14.331 -1.095 -3.804 34 HA ALA 5 HA ALA 5 15.178 1.697 -4.092 35 HB1 ALA 5 1HB ALA 5 16.957 0.486 -2.255 36 HB2 ALA 5 2HB ALA 5 15.873 1.853 -1.992 37 HB3 ALA 5 3HB ALA 5 15.316 0.212 -1.668 38 H MET 6 H MET 6 17.100 1.990 -5.165 39 HA MET 6 HA MET 6 18.378 -0.455 -6.203 40 HB2 MET 6 2HB MET 6 18.931 0.828 -8.225 41 HB3 MET 6 3HB MET 6 17.195 0.757 -7.958 42 HG2 MET 6 2HG MET 6 17.438 3.032 -6.845 43 HG3 MET 6 3HG MET 6 19.049 3.075 -7.556 44 HE1 MET 6 3HE MET 6 18.405 3.206 -11.343 45 HE2 MET 6 1HE MET 6 19.581 3.329 -10.034 46 HE3 MET 6 2HE MET 6 18.803 1.784 -10.378 47 H TYR 7 H TYR 7 20.431 -0.747 -5.654 48 HA TYR 7 HA TYR 7 22.008 1.603 -4.827 49 HB2 TYR 7 2HB TYR 7 23.064 0.325 -3.132 50 HB3 TYR 7 3HB TYR 7 21.345 -0.027 -2.989 51 HD1 TYR 7 HD1 TYR 7 20.532 -2.153 -4.310 52 HD2 TYR 7 HD2 TYR 7 24.565 -1.435 -3.159 53 HE1 TYR 7 HE1 TYR 7 21.006 -4.560 -4.491 54 HE2 TYR 7 HE2 TYR 7 25.050 -3.840 -3.338 55 HH TYR 7 HH TYR 7 23.398 -6.069 -3.145 56 H ASN 8 H ASN 8 24.072 1.795 -5.584 57 HA ASN 8 HA ASN 8 24.919 -0.213 -7.566 58 HB2 ASN 8 2HB ASN 8 26.071 1.580 -8.750 59 HB3 ASN 8 3HB ASN 8 24.373 1.995 -8.536 60 HD21 ASN 8 1HD2 ASN 8 27.628 2.598 -7.404 61 HD22 ASN 8 2HD2 ASN 8 27.301 4.140 -6.697 62 H ILE 9 H ILE 9 26.886 -1.126 -7.380 63 HA ILE 9 HA ILE 9 28.610 -0.173 -5.187 64 HB ILE 9 HB ILE 9 29.517 -2.600 -5.321 65 HG12 ILE 9 2HG1 ILE 9 26.798 -2.898 -6.611 66 HG13 ILE 9 3HG1 ILE 9 28.353 -3.285 -7.338 67 HG21 ILE 9 1HG2 ILE 9 26.815 -2.724 -4.183 68 HG22 ILE 9 2HG2 ILE 9 28.383 -2.972 -3.418 69 HG23 ILE 9 3HG2 ILE 9 27.775 -1.337 -3.670 70 HD11 ILE 9 3HD1 ILE 9 26.679 -4.849 -5.543 71 HD12 ILE 9 1HD1 ILE 9 27.924 -5.367 -6.679 72 HD13 ILE 9 2HD1 ILE 9 28.377 -4.805 -5.070 73 H SER 10 H SER 10 30.642 0.397 -5.648 74 HA SER 10 HA SER 10 31.644 -0.173 -8.360 75 HB2 SER 10 2HB SER 10 31.162 2.266 -7.609 76 HB3 SER 10 3HB SER 10 32.641 2.101 -6.664 77 HG SER 10 HG SER 10 33.350 2.844 -8.569 78 H MET 11 H MET 11 33.341 -1.473 -8.490 79 HA MET 11 HA MET 11 34.793 -2.193 -6.083 80 HB2 MET 11 2HB MET 11 35.751 -3.973 -7.389 81 HB3 MET 11 3HB MET 11 34.024 -3.913 -7.715 82 HG2 MET 11 2HG MET 11 35.506 -2.274 -9.573 83 HG3 MET 11 3HG MET 11 36.081 -3.939 -9.572 84 HE1 MET 11 3HE MET 11 34.076 -3.401 -12.684 85 HE2 MET 11 1HE MET 11 33.322 -2.028 -11.873 86 HE3 MET 11 2HE MET 11 35.061 -2.286 -11.735 87 H ALA 12 H ALA 12 35.056 0.254 -8.217 88 HA ALA 12 HA ALA 12 37.599 1.067 -7.397 89 HB1 ALA 12 1HB ALA 12 39.081 0.259 -8.861 90 HB2 ALA 12 2HB ALA 12 37.853 -0.952 -9.232 91 HB3 ALA 12 3HB ALA 12 37.994 0.495 -10.230 92 H GLY 13 H GLY 13 38.468 2.502 -9.637 93 HA2 GLY 13 2HA GLY 13 36.445 4.582 -9.686 94 HA3 GLY 13 3HA GLY 13 38.083 4.701 -10.313 95 H SER 14 H SER 14 36.270 1.952 -11.277 96 HA SER 14 HA SER 14 35.971 3.129 -13.956 97 HB2 SER 14 2HB SER 14 37.427 1.071 -13.645 98 HB3 SER 14 3HB SER 14 35.948 0.186 -13.272 99 HG SER 14 HG SER 14 36.925 1.009 -15.682 100 H HIS 15 H HIS 15 34.095 2.460 -15.226 101 HA HIS 15 HA HIS 15 31.693 3.135 -14.354 102 HB2 HIS 15 2HB HIS 15 32.123 2.353 -16.651 103 HB3 HIS 15 3HB HIS 15 32.151 0.689 -16.076 104 HD1 HIS 15 HD1 HIS 15 29.604 3.363 -15.207 105 HD2 HIS 15 HD2 HIS 15 29.860 -0.286 -17.177 106 HE1 HIS 15 HE1 HIS 15 27.237 2.746 -15.791 107 HA PRO 16 HA PRO 16 31.076 0.329 -10.889 108 HB2 PRO 16 2HB PRO 16 28.987 1.716 -9.849 109 HB3 PRO 16 3HB PRO 16 30.672 2.192 -9.607 110 HG2 PRO 16 2HG PRO 16 28.664 3.258 -11.554 111 HG3 PRO 16 3HG PRO 16 29.832 4.142 -10.555 112 HD2 PRO 16 2HD PRO 16 30.255 3.627 -13.180 113 HD3 PRO 16 3HD PRO 16 31.578 3.718 -11.999 114 H THR 17 H THR 17 28.980 -0.667 -9.976 115 HA THR 17 HA THR 17 27.237 -1.402 -12.238 116 HB THR 17 HB THR 17 27.822 -3.125 -9.827 117 HG1 THR 17 HG1 THR 17 29.688 -3.414 -10.793 118 HG21 THR 17 3HG2 THR 17 26.835 -4.899 -11.120 119 HG22 THR 17 1HG2 THR 17 26.682 -3.849 -12.528 120 HG23 THR 17 2HG2 THR 17 25.710 -3.542 -11.088 121 H THR 18 H THR 18 25.122 -1.033 -12.042 122 HA THR 18 HA THR 18 24.112 -0.159 -9.423 123 HB THR 18 HB THR 18 22.647 0.253 -12.014 124 HG1 THR 18 HG1 THR 18 24.758 1.835 -10.936 125 HG21 THR 18 3HG2 THR 18 21.211 1.035 -10.457 126 HG22 THR 18 1HG2 THR 18 22.258 2.453 -10.472 127 HG23 THR 18 2HG2 THR 18 22.471 1.213 -9.237 128 H ILE 19 H ILE 19 22.307 -1.067 -8.511 129 HA ILE 19 HA ILE 19 20.988 -3.254 -9.953 130 HB ILE 19 HB ILE 19 22.563 -3.478 -7.469 131 HG12 ILE 19 2HG1 ILE 19 21.734 -5.249 -9.753 132 HG13 ILE 19 3HG1 ILE 19 23.352 -4.736 -9.288 133 HG21 ILE 19 1HG2 ILE 19 21.112 -5.241 -6.542 134 HG22 ILE 19 2HG2 ILE 19 20.346 -3.653 -6.520 135 HG23 ILE 19 3HG2 ILE 19 19.886 -4.836 -7.743 136 HD11 ILE 19 3HD1 ILE 19 21.608 -6.708 -7.834 137 HD12 ILE 19 1HD1 ILE 19 23.050 -7.067 -8.784 138 HD13 ILE 19 2HD1 ILE 19 23.188 -6.152 -7.282 139 H CYS 20 H CYS 20 18.834 -3.449 -9.571 140 HA CYS 20 HA CYS 20 17.667 -1.636 -7.563 141 HB2 CYS 20 2HB CYS 20 15.676 -1.529 -9.137 142 HB3 CYS 20 3HB CYS 20 17.132 -0.701 -9.678 143 HG CYS 20 HG CYS 20 16.580 -1.728 -12.015 144 H VAL 21 H VAL 21 16.725 -2.715 -5.973 145 HA VAL 21 HA VAL 21 15.106 -5.069 -6.597 146 HB VAL 21 HB VAL 21 16.031 -6.286 -4.636 147 HG11 VAL 21 1HG1 VAL 21 17.842 -5.614 -6.939 148 HG12 VAL 21 2HG1 VAL 21 18.238 -6.857 -5.751 149 HG13 VAL 21 3HG1 VAL 21 16.790 -7.016 -6.745 150 HG21 VAL 21 3HG2 VAL 21 16.959 -4.407 -3.412 151 HG22 VAL 21 1HG2 VAL 21 18.221 -5.593 -3.750 152 HG23 VAL 21 2HG2 VAL 21 18.124 -4.112 -4.703 153 H VAL 22 H VAL 22 13.434 -5.474 -5.133 154 HA VAL 22 HA VAL 22 12.379 -3.202 -3.816 155 HB VAL 22 HB VAL 22 11.020 -5.077 -4.785 156 HG11 VAL 22 1HG1 VAL 22 10.895 -7.153 -3.849 157 HG12 VAL 22 2HG1 VAL 22 12.571 -6.764 -3.454 158 HG13 VAL 22 3HG1 VAL 22 11.309 -6.573 -2.236 159 HG21 VAL 22 3HG2 VAL 22 10.183 -3.343 -3.145 160 HG22 VAL 22 1HG2 VAL 22 9.248 -4.835 -3.237 161 HG23 VAL 22 2HG2 VAL 22 10.359 -4.573 -1.893 162 H MET 23 H MET 23 11.883 -2.960 -1.562 163 HA MET 23 HA MET 23 14.038 -3.257 0.148 164 HB2 MET 23 2HB MET 23 12.614 -2.520 1.901 165 HB3 MET 23 3HB MET 23 12.045 -1.731 0.436 166 HG2 MET 23 2HG MET 23 10.237 -3.332 0.244 167 HG3 MET 23 3HG MET 23 10.827 -4.193 1.663 168 HE1 MET 23 3HE MET 23 8.471 -3.718 3.504 169 HE2 MET 23 1HE MET 23 10.203 -3.999 3.684 170 HE3 MET 23 2HE MET 23 9.430 -2.672 4.552 171 H ASP 24 H ASP 24 11.321 -5.413 -0.416 172 HA ASP 24 HA ASP 24 11.672 -7.143 1.755 173 HB2 ASP 24 2HB ASP 24 10.760 -8.045 -0.974 174 HB3 ASP 24 3HB ASP 24 10.277 -8.671 0.600 175 H ARG 25 H ARG 25 13.219 -7.051 -1.409 176 HA ARG 25 HA ARG 25 14.834 -9.393 -0.702 177 HB2 ARG 25 2HB ARG 25 14.178 -8.011 -3.275 178 HB3 ARG 25 3HB ARG 25 15.640 -8.982 -3.165 179 HG2 ARG 25 2HG ARG 25 14.219 -10.579 -3.904 180 HG3 ARG 25 3HG ARG 25 13.928 -10.750 -2.172 181 HD2 ARG 25 2HD ARG 25 11.995 -9.238 -2.372 182 HD3 ARG 25 3HD ARG 25 12.276 -9.133 -4.110 183 HE ARG 25 HE ARG 25 11.275 -11.174 -4.354 184 HH11 ARG 25 1HH1 ARG 25 12.135 -10.726 -1.010 185 HH12 ARG 25 2HH1 ARG 25 11.316 -12.155 -0.473 186 HH21 ARG 25 1HH2 ARG 25 10.193 -13.058 -3.659 187 HH22 ARG 25 2HH2 ARG 25 10.212 -13.481 -1.980 188 H PHE 26 H PHE 26 14.959 -6.020 -0.705 189 HA PHE 26 HA PHE 26 17.658 -5.551 -1.360 190 HB2 PHE 26 2HB PHE 26 15.977 -3.758 -1.234 191 HB3 PHE 26 3HB PHE 26 15.860 -3.991 0.507 192 HD1 PHE 26 HD1 PHE 26 18.787 -3.774 -1.790 193 HD2 PHE 26 HD2 PHE 26 16.723 -2.137 1.553 194 HE1 PHE 26 HE1 PHE 26 20.615 -2.161 -1.456 195 HE2 PHE 26 HE2 PHE 26 18.547 -0.521 1.892 196 HZ PHE 26 HZ PHE 26 20.497 -0.532 0.387 197 H LEU 27 H LEU 27 16.060 -6.193 1.738 198 HA LEU 27 HA LEU 27 18.274 -5.869 3.407 199 HB2 LEU 27 2HB LEU 27 15.806 -6.210 4.002 200 HB3 LEU 27 3HB LEU 27 16.145 -7.934 3.868 201 HG LEU 27 HG LEU 27 17.779 -6.218 5.697 202 HD11 LEU 27 1HD1 LEU 27 14.985 -7.198 6.127 203 HD12 LEU 27 2HD1 LEU 27 15.692 -5.631 6.518 204 HD13 LEU 27 3HD1 LEU 27 16.108 -7.050 7.479 205 HD21 LEU 27 3HD2 LEU 27 18.743 -8.243 5.835 206 HD22 LEU 27 1HD2 LEU 27 17.330 -9.075 5.186 207 HD23 LEU 27 2HD2 LEU 27 17.381 -8.621 6.890 208 H GLU 28 H GLU 28 17.034 -8.817 1.847 209 HA GLU 28 HA GLU 28 19.104 -10.495 2.825 210 HB2 GLU 28 2HB GLU 28 16.760 -11.093 1.832 211 HB3 GLU 28 3HB GLU 28 17.610 -11.078 0.293 212 HG2 GLU 28 2HG GLU 28 18.957 -12.883 0.878 213 HG3 GLU 28 3HG GLU 28 18.622 -12.695 2.598 214 H SER 29 H SER 29 18.585 -8.843 -0.272 215 HA SER 29 HA SER 29 20.798 -9.826 -1.643 216 HB2 SER 29 2HB SER 29 19.167 -8.602 -2.874 217 HB3 SER 29 3HB SER 29 19.345 -7.186 -1.838 218 HG SER 29 HG SER 29 20.754 -7.891 -4.039 219 H PHE 30 H PHE 30 20.529 -7.106 0.590 220 HA PHE 30 HA PHE 30 23.159 -6.125 0.206 221 HB2 PHE 30 2HB PHE 30 22.192 -4.465 1.358 222 HB3 PHE 30 3HB PHE 30 20.888 -5.522 1.890 223 HD1 PHE 30 HD2 PHE 30 24.427 -4.658 2.639 224 HD2 PHE 30 HD1 PHE 30 20.702 -6.082 4.125 225 HE1 PHE 30 HE2 PHE 30 25.322 -4.599 4.930 226 HE2 PHE 30 HE1 PHE 30 21.590 -6.024 6.418 227 HZ PHE 30 HZ PHE 30 23.903 -5.281 6.823 228 H SER 31 H SER 31 21.731 -8.297 2.621 229 HA SER 31 HA SER 31 23.959 -8.662 4.240 230 HB2 SER 31 2HB SER 31 21.805 -9.502 4.928 231 HB3 SER 31 3HB SER 31 21.734 -10.590 3.542 232 HG SER 31 HG SER 31 22.808 -11.028 5.942 233 H GLU 32 H GLU 32 22.969 -10.485 1.356 234 HA GLU 32 HA GLU 32 25.247 -12.211 1.422 235 HB2 GLU 32 2HB GLU 32 22.954 -12.641 0.330 236 HB3 GLU 32 3HB GLU 32 23.559 -11.677 -1.010 237 HG2 GLU 32 2HG GLU 32 23.934 -13.933 -1.576 238 HG3 GLU 32 3HG GLU 32 25.502 -13.258 -1.141 239 H LEU 33 H LEU 33 24.369 -9.300 -0.383 240 HA LEU 33 HA LEU 33 26.495 -9.218 -2.171 241 HB2 LEU 33 2HB LEU 33 24.576 -7.730 -2.310 242 HB3 LEU 33 3HB LEU 33 25.072 -6.927 -0.821 243 HG LEU 33 HG LEU 33 25.533 -5.758 -3.062 244 HD11 LEU 33 1HD1 LEU 33 28.043 -5.991 -1.494 245 HD12 LEU 33 2HD1 LEU 33 26.589 -5.445 -0.658 246 HD13 LEU 33 3HD1 LEU 33 27.187 -4.557 -2.060 247 HD21 LEU 33 3HD2 LEU 33 26.460 -7.572 -4.310 248 HD22 LEU 33 1HD2 LEU 33 27.682 -7.870 -3.073 249 HD23 LEU 33 2HD2 LEU 33 27.744 -6.393 -4.036 250 H TYR 34 H TYR 34 26.322 -8.205 1.194 251 HA TYR 34 HA TYR 34 28.830 -6.884 1.266 252 HB2 TYR 34 2HB TYR 34 27.277 -6.368 2.991 253 HB3 TYR 34 3HB TYR 34 27.073 -8.063 3.416 254 HD1 TYR 34 HD2 TYR 34 29.270 -5.136 3.695 255 HD2 TYR 34 HD1 TYR 34 28.678 -9.197 4.820 256 HE1 TYR 34 HE2 TYR 34 31.016 -4.909 5.412 257 HE2 TYR 34 HE1 TYR 34 30.422 -8.980 6.541 258 HH TYR 34 HH TYR 34 31.686 -7.493 7.705 259 H ASP 35 H ASP 35 27.836 -10.211 1.637 260 HA ASP 35 HA ASP 35 30.318 -11.127 2.735 261 HB2 ASP 35 2HB ASP 35 27.739 -12.222 2.245 262 HB3 ASP 35 3HB ASP 35 28.916 -13.246 1.428 263 H ILE 36 H ILE 36 29.049 -10.611 -0.456 264 HA ILE 36 HA ILE 36 31.281 -12.050 -1.683 265 HB ILE 36 HB ILE 36 29.145 -12.497 -2.693 266 HG12 ILE 36 2HG1 ILE 36 31.364 -11.785 -4.077 267 HG13 ILE 36 3HG1 ILE 36 29.899 -12.405 -4.831 268 HG21 ILE 36 1HG2 ILE 36 27.868 -10.598 -2.050 269 HG22 ILE 36 2HG2 ILE 36 28.921 -9.507 -2.948 270 HG23 ILE 36 3HG2 ILE 36 27.881 -10.639 -3.813 271 HD11 ILE 36 3HD1 ILE 36 30.936 -10.327 -5.839 272 HD12 ILE 36 1HD1 ILE 36 29.208 -10.268 -5.490 273 HD13 ILE 36 2HD1 ILE 36 30.354 -9.473 -4.410 274 H ILE 37 H ILE 37 30.286 -8.878 -0.860 275 HA ILE 37 HA ILE 37 31.534 -7.327 -2.807 276 HB ILE 37 HB ILE 37 30.033 -6.532 -0.914 277 HG12 ILE 37 2HG1 ILE 37 31.287 -4.321 -0.738 278 HG13 ILE 37 3HG1 ILE 37 32.577 -5.087 -1.659 279 HG21 ILE 37 1HG2 ILE 37 30.746 -6.422 1.208 280 HG22 ILE 37 2HG2 ILE 37 31.962 -7.590 0.695 281 HG23 ILE 37 3HG2 ILE 37 32.355 -5.872 0.740 282 HD11 ILE 37 3HD1 ILE 37 30.848 -5.570 -3.430 283 HD12 ILE 37 1HD1 ILE 37 29.773 -4.491 -2.541 284 HD13 ILE 37 2HD1 ILE 37 31.287 -3.877 -3.205 285 H ASP 38 H ASP 38 32.900 -9.299 -0.357 286 HA ASP 38 HA ASP 38 35.384 -7.975 -0.033 287 HB2 ASP 38 2HB ASP 38 36.061 -9.838 1.200 288 HB3 ASP 38 3HB ASP 38 34.311 -9.847 1.406 289 H GLU 39 H GLU 39 34.087 -9.948 -2.528 290 HA GLU 39 HA GLU 39 36.568 -10.873 -3.601 291 HB2 GLU 39 2HB GLU 39 33.775 -10.712 -4.724 292 HB3 GLU 39 3HB GLU 39 35.131 -11.333 -5.653 293 HG2 GLU 39 2HG GLU 39 34.063 -12.452 -3.073 294 HG3 GLU 39 3HG GLU 39 33.890 -13.153 -4.681 295 H ASN 40 H ASN 40 37.092 -10.324 -5.974 296 HA ASN 40 HA ASN 40 36.681 -7.489 -6.565 297 HB2 ASN 40 2HB ASN 40 38.829 -7.803 -5.254 298 HB3 ASN 40 3HB ASN 40 39.436 -8.725 -6.627 299 HD21 ASN 40 1HD2 ASN 40 41.059 -7.304 -7.120 300 HD22 ASN 40 2HD2 ASN 40 40.768 -5.728 -7.767 301 H ASP 41 H ASP 41 36.163 -10.389 -7.620 302 HA ASP 41 HA ASP 41 37.305 -10.144 -10.292 303 HB2 ASP 41 2HB ASP 41 36.293 -12.320 -8.646 304 HB3 ASP 41 3HB ASP 41 35.628 -12.365 -10.277 305 H THR 42 H THR 42 36.169 -9.664 -12.099 306 HA THR 42 HA THR 42 33.663 -8.338 -11.809 307 HB THR 42 HB THR 42 33.737 -8.010 -14.222 308 HG1 THR 42 HG1 THR 42 36.124 -9.533 -14.320 309 HG21 THR 42 3HG2 THR 42 35.533 -6.568 -14.256 310 HG22 THR 42 1HG2 THR 42 36.593 -7.695 -13.409 311 HG23 THR 42 2HG2 THR 42 35.346 -6.819 -12.520 312 H ASP 43 H ASP 43 34.649 -11.540 -12.789 313 HA ASP 43 HA ASP 43 32.241 -12.321 -14.051 314 HB2 ASP 43 2HB ASP 43 34.529 -13.474 -14.144 315 HB3 ASP 43 3HB ASP 43 34.098 -14.197 -12.597 316 H VAL 44 H VAL 44 33.439 -12.758 -10.734 317 HA VAL 44 HA VAL 44 31.125 -14.119 -9.805 318 HB VAL 44 HB VAL 44 33.249 -14.329 -8.633 319 HG11 VAL 44 1HG1 VAL 44 34.262 -12.542 -7.416 320 HG12 VAL 44 2HG1 VAL 44 33.986 -11.977 -9.065 321 HG13 VAL 44 3HG1 VAL 44 32.911 -11.464 -7.764 322 HG21 VAL 44 3HG2 VAL 44 30.739 -13.733 -7.414 323 HG22 VAL 44 1HG2 VAL 44 32.004 -14.832 -6.864 324 HG23 VAL 44 2HG2 VAL 44 32.035 -13.137 -6.377 325 H MET 45 H MET 45 32.128 -10.735 -9.819 326 HA MET 45 HA MET 45 29.977 -9.790 -8.218 327 HB2 MET 45 2HB MET 45 32.201 -8.641 -9.723 328 HB3 MET 45 3HB MET 45 30.753 -7.645 -9.780 329 HG2 MET 45 2HG MET 45 30.737 -8.039 -7.199 330 HG3 MET 45 3HG MET 45 32.443 -8.402 -7.450 331 HE1 MET 45 3HE MET 45 29.852 -5.926 -6.766 332 HE2 MET 45 1HE MET 45 30.417 -4.363 -7.360 333 HE3 MET 45 2HE MET 45 29.735 -5.539 -8.483 334 H MET 46 H MET 46 30.524 -9.957 -11.719 335 HA MET 46 HA MET 46 28.082 -8.709 -12.439 336 HB2 MET 46 2HB MET 46 28.604 -9.281 -14.662 337 HB3 MET 46 3HB MET 46 30.162 -9.033 -13.884 338 HG2 MET 46 2HG MET 46 30.452 -11.431 -13.652 339 HG3 MET 46 3HG MET 46 28.866 -11.705 -14.369 340 HE1 MET 46 3HE MET 46 28.214 -10.435 -16.398 341 HE2 MET 46 1HE MET 46 29.273 -9.925 -17.713 342 HE3 MET 46 2HE MET 46 28.783 -11.614 -17.581 343 H ASP 47 H ASP 47 29.035 -12.057 -11.905 344 HA ASP 47 HA ASP 47 26.628 -13.218 -12.868 345 HB2 ASP 47 2HB ASP 47 28.496 -14.659 -12.770 346 HB3 ASP 47 3HB ASP 47 28.853 -14.219 -11.102 347 H PHE 48 H PHE 48 27.749 -12.223 -9.667 348 HA PHE 48 HA PHE 48 25.453 -13.199 -8.285 349 HB2 PHE 48 2HB PHE 48 27.467 -12.931 -7.027 350 HB3 PHE 48 3HB PHE 48 27.625 -11.248 -7.518 351 HD1 PHE 48 HD2 PHE 48 26.156 -9.533 -6.559 352 HD2 PHE 48 HD1 PHE 48 26.049 -13.572 -5.222 353 HE1 PHE 48 HE2 PHE 48 24.944 -8.828 -4.537 354 HE2 PHE 48 HE1 PHE 48 24.837 -12.874 -3.198 355 HZ PHE 48 HZ PHE 48 24.282 -10.499 -2.854 356 H ILE 49 H ILE 49 26.457 -10.003 -9.447 357 HA ILE 49 HA ILE 49 24.277 -8.551 -8.442 358 HB ILE 49 HB ILE 49 26.355 -8.088 -10.488 359 HG12 ILE 49 2HG1 ILE 49 26.397 -5.869 -9.273 360 HG13 ILE 49 3HG1 ILE 49 25.139 -6.505 -8.220 361 HG21 ILE 49 1HG2 ILE 49 23.694 -6.693 -10.558 362 HG22 ILE 49 2HG2 ILE 49 25.163 -5.970 -11.209 363 HG23 ILE 49 3HG2 ILE 49 24.553 -7.481 -11.881 364 HD11 ILE 49 3HD1 ILE 49 26.878 -7.095 -6.940 365 HD12 ILE 49 1HD1 ILE 49 26.971 -8.472 -8.037 366 HD13 ILE 49 2HD1 ILE 49 28.015 -7.073 -8.288 367 H SER 50 H SER 50 24.786 -10.011 -11.647 368 HA SER 50 HA SER 50 22.295 -9.244 -12.721 369 HB2 SER 50 2HB SER 50 24.438 -10.188 -13.891 370 HB3 SER 50 3HB SER 50 23.686 -11.756 -13.595 371 HG SER 50 HG SER 50 23.216 -10.279 -15.617 372 H ARG 51 H ARG 51 23.339 -12.096 -10.935 373 HA ARG 51 HA ARG 51 20.905 -13.540 -11.279 374 HB2 ARG 51 2HB ARG 51 23.303 -13.828 -9.503 375 HB3 ARG 51 3HB ARG 51 21.867 -14.796 -9.199 376 HG2 ARG 51 2HG ARG 51 22.003 -15.748 -11.425 377 HG3 ARG 51 3HG ARG 51 23.400 -14.733 -11.789 378 HD2 ARG 51 2HD ARG 51 24.756 -15.871 -10.225 379 HD3 ARG 51 3HD ARG 51 23.366 -16.669 -9.491 380 HE ARG 51 HE ARG 51 24.841 -17.557 -11.754 381 HH11 ARG 51 1HH1 ARG 51 21.645 -17.473 -10.375 382 HH12 ARG 51 2HH1 ARG 51 21.112 -18.902 -11.197 383 HH21 ARG 51 1HH2 ARG 51 24.151 -19.440 -12.840 384 HH22 ARG 51 2HH2 ARG 51 22.538 -20.021 -12.598 385 H PHE 52 H PHE 52 22.054 -11.163 -9.007 386 HA PHE 52 HA PHE 52 19.773 -11.597 -7.238 387 HB2 PHE 52 2HB PHE 52 22.357 -10.132 -7.040 388 HB3 PHE 52 3HB PHE 52 21.002 -9.515 -6.100 389 HD1 PHE 52 HD1 PHE 52 21.997 -13.009 -6.909 390 HD2 PHE 52 HD2 PHE 52 21.429 -10.055 -3.898 391 HE1 PHE 52 HE1 PHE 52 22.438 -14.697 -5.174 392 HE2 PHE 52 HE2 PHE 52 21.870 -11.738 -2.158 393 HZ PHE 52 HZ PHE 52 22.374 -14.063 -2.795 394 H ALA 53 H ALA 53 20.524 -9.813 -9.965 395 HA ALA 53 HA ALA 53 18.776 -7.572 -9.270 396 HB1 ALA 53 1HB ALA 53 20.644 -6.718 -10.320 397 HB2 ALA 53 2HB ALA 53 20.757 -8.068 -11.449 398 HB3 ALA 53 3HB ALA 53 19.504 -6.846 -11.660 399 H ARG 54 H ARG 54 17.030 -6.953 -10.671 400 HA ARG 54 HA ARG 54 15.961 -9.140 -12.323 401 HB2 ARG 54 2HB ARG 54 14.253 -7.423 -10.523 402 HB3 ARG 54 3HB ARG 54 13.766 -8.852 -11.424 403 HG2 ARG 54 2HG ARG 54 15.213 -10.230 -10.004 404 HG3 ARG 54 3HG ARG 54 15.663 -8.790 -9.087 405 HD2 ARG 54 2HD ARG 54 13.979 -9.718 -7.792 406 HD3 ARG 54 3HD ARG 54 13.120 -8.504 -8.738 407 HE ARG 54 HE ARG 54 13.030 -10.944 -10.113 408 HH11 ARG 54 1HH1 ARG 54 11.792 -9.472 -7.211 409 HH12 ARG 54 2HH1 ARG 54 10.357 -10.441 -7.175 410 HH21 ARG 54 1HH2 ARG 54 11.144 -12.227 -10.076 411 HH22 ARG 54 2HH2 ARG 54 9.990 -12.009 -8.804 412 H THR 55 H THR 55 15.407 -8.517 -14.303 413 HA THR 55 HA THR 55 15.624 -5.770 -15.081 414 HB THR 55 HB THR 55 15.139 -6.531 -17.335 415 HG1 THR 55 HG1 THR 55 13.840 -8.181 -17.539 416 HG21 THR 55 3HG2 THR 55 17.221 -7.592 -15.686 417 HG22 THR 55 1HG2 THR 55 17.268 -7.182 -17.400 418 HG23 THR 55 2HG2 THR 55 16.769 -8.796 -16.892 419 H ASP 56 H ASP 56 13.823 -5.288 -13.409 420 HA ASP 56 HA ASP 56 11.307 -5.091 -14.908 421 HB2 ASP 56 2HB ASP 56 11.586 -5.936 -12.018 422 HB3 ASP 56 3HB ASP 56 10.060 -5.474 -12.768 423 H GLU 57 H GLU 57 9.777 -3.519 -13.641 424 HA GLU 57 HA GLU 57 11.381 -1.256 -12.651 425 HB2 GLU 57 2HB GLU 57 10.084 0.292 -13.892 426 HB3 GLU 57 3HB GLU 57 10.529 -0.982 -15.019 427 HG2 GLU 57 2HG GLU 57 8.254 -2.009 -14.468 428 HG3 GLU 57 3HG GLU 57 7.866 -0.441 -13.763 429 H ILE 58 H ILE 58 9.251 0.460 -12.109 430 HA ILE 58 HA ILE 58 7.971 -0.954 -9.868 431 HB ILE 58 HB ILE 58 7.570 1.622 -9.230 432 HG12 ILE 58 2HG1 ILE 58 9.709 2.843 -9.718 433 HG13 ILE 58 3HG1 ILE 58 10.125 1.558 -10.846 434 HG21 ILE 58 1HG2 ILE 58 9.011 -0.451 -8.235 435 HG22 ILE 58 2HG2 ILE 58 10.279 0.737 -8.535 436 HG23 ILE 58 3HG2 ILE 58 8.915 1.147 -7.495 437 HD11 ILE 58 3HD1 ILE 58 7.523 2.962 -11.163 438 HD12 ILE 58 1HD1 ILE 58 9.006 3.768 -11.674 439 HD13 ILE 58 2HD1 ILE 58 8.560 2.213 -12.377 440 H MET 59 H MET 59 5.824 -1.148 -9.801 441 HA MET 59 HA MET 59 4.239 -0.219 -12.002 442 HB2 MET 59 2HB MET 59 3.931 -2.078 -9.772 443 HB3 MET 59 3HB MET 59 2.466 -1.162 -10.099 444 HG2 MET 59 2HG MET 59 2.673 -1.858 -12.493 445 HG3 MET 59 3HG MET 59 3.983 -2.928 -11.998 446 HE1 MET 59 3HE MET 59 3.069 -5.757 -11.392 447 HE2 MET 59 1HE MET 59 3.907 -4.584 -10.376 448 HE3 MET 59 2HE MET 59 2.506 -5.453 -9.748 449 HA PRO 60 HA PRO 60 2.492 3.475 -10.406 450 HB2 PRO 60 2HB PRO 60 -0.140 3.250 -11.035 451 HB3 PRO 60 3HB PRO 60 1.117 3.533 -12.245 452 HG2 PRO 60 2HG PRO 60 -0.233 0.973 -11.481 453 HG3 PRO 60 3HG PRO 60 0.167 1.588 -13.095 454 HD2 PRO 60 2HD PRO 60 1.670 -0.278 -11.834 455 HD3 PRO 60 3HD PRO 60 2.368 0.921 -12.942 456 H GLU 61 H GLU 61 1.415 0.457 -9.185 457 HA GLU 61 HA GLU 61 -0.293 1.595 -7.141 458 HB2 GLU 61 2HB GLU 61 -0.816 -0.613 -6.526 459 HB3 GLU 61 3HB GLU 61 -0.637 -0.671 -8.274 460 HG2 GLU 61 2HG GLU 61 1.706 -1.471 -7.920 461 HG3 GLU 61 3HG GLU 61 1.331 -1.600 -6.202 462 H ASP 62 H ASP 62 3.014 0.880 -7.549 463 HA ASP 62 HA ASP 62 3.458 1.227 -4.657 464 HB2 ASP 62 2HB ASP 62 5.710 -0.044 -5.892 465 HB3 ASP 62 3HB ASP 62 4.680 -0.643 -4.596 466 H LYS 63 H LYS 63 6.193 1.541 -4.691 467 HA LYS 63 HA LYS 63 6.918 3.576 -6.609 468 HB2 LYS 63 2HB LYS 63 7.490 4.897 -4.226 469 HB3 LYS 63 3HB LYS 63 6.243 5.325 -5.391 470 HG2 LYS 63 2HG LYS 63 4.580 4.152 -4.175 471 HG3 LYS 63 3HG LYS 63 5.787 3.393 -3.133 472 HD2 LYS 63 2HD LYS 63 6.115 5.298 -1.896 473 HD3 LYS 63 3HD LYS 63 5.649 6.367 -3.221 474 HE2 LYS 63 2HE LYS 63 3.424 6.203 -2.751 475 HE3 LYS 63 3HE LYS 63 3.568 4.565 -2.116 476 HZ1 LYS 63 3HZ LYS 63 4.834 5.706 -0.211 477 HZ2 LYS 63 1HZ LYS 63 3.146 5.821 -0.243 478 HZ3 LYS 63 2HZ LYS 63 4.093 7.125 -0.757 479 H THR 64 H THR 64 9.095 4.666 -5.599 480 HA THR 64 HA THR 64 10.775 2.378 -4.803 481 HB THR 64 HB THR 64 11.219 4.568 -6.769 482 HG1 THR 64 HG1 THR 64 10.865 2.127 -7.061 483 HG21 THR 64 3HG2 THR 64 13.373 3.389 -5.025 484 HG22 THR 64 1HG2 THR 64 13.009 5.092 -5.298 485 HG23 THR 64 2HG2 THR 64 13.704 4.120 -6.595 486 H VAL 65 H VAL 65 11.451 2.519 -2.774 487 HA VAL 65 HA VAL 65 11.221 4.693 -1.087 488 HB VAL 65 HB VAL 65 11.588 2.616 -0.055 489 HG11 VAL 65 1HG1 VAL 65 13.937 1.506 -0.431 490 HG12 VAL 65 2HG1 VAL 65 12.615 1.223 -1.565 491 HG13 VAL 65 3HG1 VAL 65 13.876 2.394 -1.953 492 HG21 VAL 65 3HG2 VAL 65 12.993 3.270 1.580 493 HG22 VAL 65 1HG2 VAL 65 14.323 3.567 0.461 494 HG23 VAL 65 2HG2 VAL 65 13.054 4.774 0.662 495 H GLY 66 H GLY 66 13.888 3.805 -3.211 496 HA2 GLY 66 2HA GLY 66 14.893 6.191 -3.852 497 HA3 GLY 66 3HA GLY 66 15.535 5.995 -2.228 498 H PHE 67 H PHE 67 17.563 6.223 -3.577 499 HA PHE 67 HA PHE 67 18.461 3.535 -4.365 500 HB2 PHE 67 2HB PHE 67 19.791 4.487 -6.167 501 HB3 PHE 67 3HB PHE 67 18.100 4.930 -6.377 502 HD1 PHE 67 HD2 PHE 67 17.362 7.238 -5.711 503 HD2 PHE 67 HD1 PHE 67 21.460 6.120 -5.982 504 HE1 PHE 67 HE2 PHE 67 17.999 9.612 -5.833 505 HE2 PHE 67 HE1 PHE 67 22.103 8.491 -6.104 506 HZ PHE 67 HZ PHE 67 20.372 10.241 -6.029 507 H VAL 68 H VAL 68 20.618 3.027 -3.909 508 HA VAL 68 HA VAL 68 21.953 4.893 -2.056 509 HB VAL 68 HB VAL 68 22.077 1.874 -2.019 510 HG11 VAL 68 1HG1 VAL 68 24.058 2.342 -1.042 511 HG12 VAL 68 2HG1 VAL 68 23.594 3.997 -0.641 512 HG13 VAL 68 3HG1 VAL 68 23.044 2.657 0.366 513 HG21 VAL 68 3HG2 VAL 68 20.325 3.827 -0.687 514 HG22 VAL 68 1HG2 VAL 68 20.067 2.117 -1.034 515 HG23 VAL 68 2HG2 VAL 68 21.024 2.598 0.367 516 H VAL 69 H VAL 69 23.970 5.502 -2.533 517 HA VAL 69 HA VAL 69 25.284 4.221 -4.828 518 HB VAL 69 HB VAL 69 25.935 6.903 -3.606 519 HG11 VAL 69 1HG1 VAL 69 27.585 5.510 -5.092 520 HG12 VAL 69 2HG1 VAL 69 26.566 6.100 -6.407 521 HG13 VAL 69 3HG1 VAL 69 27.392 7.244 -5.348 522 HG21 VAL 69 3HG2 VAL 69 24.045 6.154 -5.817 523 HG22 VAL 69 1HG2 VAL 69 23.748 7.171 -4.406 524 HG23 VAL 69 2HG2 VAL 69 24.773 7.758 -5.716 525 H VAL 70 H VAL 70 26.929 2.908 -4.435 526 HA VAL 70 HA VAL 70 28.564 3.372 -2.026 527 HB VAL 70 HB VAL 70 27.748 0.717 -3.215 528 HG11 VAL 70 1HG1 VAL 70 29.929 0.323 -2.530 529 HG12 VAL 70 2HG1 VAL 70 29.812 1.441 -1.170 530 HG13 VAL 70 3HG1 VAL 70 28.990 -0.119 -1.105 531 HG21 VAL 70 3HG2 VAL 70 25.957 1.385 -1.909 532 HG22 VAL 70 1HG2 VAL 70 26.931 0.467 -0.760 533 HG23 VAL 70 2HG2 VAL 70 26.983 2.230 -0.750 534 H ASN 71 H ASN 71 30.542 3.984 -2.575 535 HA ASN 71 HA ASN 71 31.757 2.810 -4.990 536 HB2 ASN 71 2HB ASN 71 32.307 5.561 -3.858 537 HB3 ASN 71 3HB ASN 71 32.963 4.886 -5.346 538 HD21 ASN 71 1HD2 ASN 71 30.435 6.618 -3.928 539 HD22 ASN 71 2HD2 ASN 71 29.403 6.721 -5.310 540 H ALA 72 H ALA 72 33.198 1.346 -4.351 541 HA ALA 72 HA ALA 72 34.483 1.382 -1.817 542 HB1 ALA 72 1HB ALA 72 35.361 -0.214 -4.211 543 HB2 ALA 72 2HB ALA 72 35.583 -0.597 -2.503 544 HB3 ALA 72 3HB ALA 72 33.972 -0.655 -3.218 545 H ASP 73 H ASP 73 35.418 2.409 -5.046 546 HA ASP 73 HA ASP 73 38.160 2.766 -4.617 547 HB2 ASP 73 2HB ASP 73 37.624 2.943 -6.848 548 HB3 ASP 73 3HB ASP 73 36.163 3.874 -6.534 549 H LYS 74 H LYS 74 35.413 4.859 -3.934 550 HA LYS 74 HA LYS 74 37.183 6.957 -2.935 551 HB2 LYS 74 2HB LYS 74 34.202 6.823 -3.382 552 HB3 LYS 74 3HB LYS 74 34.980 8.176 -2.570 553 HG2 LYS 74 2HG LYS 74 34.979 9.025 -4.658 554 HG3 LYS 74 3HG LYS 74 36.475 8.097 -4.782 555 HD2 LYS 74 2HD LYS 74 35.346 6.296 -5.879 556 HD3 LYS 74 3HD LYS 74 33.769 7.024 -5.568 557 HE2 LYS 74 2HE LYS 74 34.319 8.887 -7.028 558 HE3 LYS 74 3HE LYS 74 35.931 8.227 -7.295 559 HZ1 LYS 74 3HZ LYS 74 34.367 7.739 -9.112 560 HZ2 LYS 74 1HZ LYS 74 33.408 6.850 -8.039 561 HZ3 LYS 74 2HZ LYS 74 34.980 6.336 -8.393 562 H LYS 75 H LYS 75 35.561 4.242 -1.791 563 HA LYS 75 HA LYS 75 35.170 3.400 0.285 564 HB2 LYS 75 2HB LYS 75 37.237 5.498 0.842 565 HB3 LYS 75 3HB LYS 75 36.481 4.642 2.179 566 HG2 LYS 75 2HG LYS 75 37.462 2.644 1.639 567 HG3 LYS 75 3HG LYS 75 37.626 3.062 -0.068 568 HD2 LYS 75 2HD LYS 75 39.258 4.898 0.889 569 HD3 LYS 75 3HD LYS 75 39.366 3.773 2.245 570 HE2 LYS 75 2HE LYS 75 39.903 1.975 0.574 571 HE3 LYS 75 3HE LYS 75 40.021 3.241 -0.647 572 HZ1 LYS 75 3HZ LYS 75 41.692 2.967 1.791 573 HZ2 LYS 75 1HZ LYS 75 41.748 4.293 0.742 574 HZ3 LYS 75 2HZ LYS 75 42.192 2.759 0.188 575 H LEU 76 H LEU 76 33.258 5.172 -0.716 576 HA LEU 76 HA LEU 76 32.147 6.189 1.793 577 HB2 LEU 76 2HB LEU 76 31.234 8.113 0.231 578 HB3 LEU 76 3HB LEU 76 32.781 8.241 1.065 579 HG LEU 76 HG LEU 76 33.857 7.428 -1.075 580 HD11 LEU 76 1HD1 LEU 76 31.976 6.441 -2.173 581 HD12 LEU 76 2HD1 LEU 76 32.512 7.820 -3.132 582 HD13 LEU 76 3HD1 LEU 76 31.080 7.959 -2.112 583 HD21 LEU 76 3HD2 LEU 76 33.382 9.705 -2.227 584 HD22 LEU 76 1HD2 LEU 76 34.179 9.677 -0.654 585 HD23 LEU 76 2HD2 LEU 76 32.459 10.052 -0.764 586 H MET 77 H MET 77 29.858 6.320 1.832 587 HA MET 77 HA MET 77 28.414 5.231 -0.458 588 HB2 MET 77 2HB MET 77 28.012 4.046 2.283 589 HB3 MET 77 3HB MET 77 27.378 3.466 0.749 590 HG2 MET 77 2HG MET 77 29.749 3.018 0.057 591 HG3 MET 77 3HG MET 77 30.219 3.368 1.719 592 HE1 MET 77 3HE MET 77 30.513 -0.180 0.409 593 HE2 MET 77 1HE MET 77 31.356 1.258 0.985 594 HE3 MET 77 2HE MET 77 30.934 -0.028 2.116 595 H SER 78 H SER 78 26.575 6.302 -0.777 596 HA SER 78 HA SER 78 25.394 7.758 1.497 597 HB2 SER 78 2HB SER 78 25.173 8.738 -1.337 598 HB3 SER 78 3HB SER 78 24.980 9.642 0.165 599 HG SER 78 HG SER 78 27.344 8.990 0.426 600 H VAL 79 H VAL 79 23.231 7.600 1.789 601 HA VAL 79 HA VAL 79 21.737 5.972 -0.164 602 HB VAL 79 HB VAL 79 21.258 6.138 2.814 603 HG11 VAL 79 1HG1 VAL 79 19.271 5.244 2.395 604 HG12 VAL 79 2HG1 VAL 79 19.604 5.283 0.662 605 HG13 VAL 79 3HG1 VAL 79 20.058 3.871 1.617 606 HG21 VAL 79 3HG2 VAL 79 23.215 4.689 1.416 607 HG22 VAL 79 1HG2 VAL 79 22.735 4.504 3.103 608 HG23 VAL 79 2HG2 VAL 79 21.962 3.527 1.854 609 H SER 80 H SER 80 20.199 7.044 -1.195 610 HA SER 80 HA SER 80 18.949 9.353 0.145 611 HB2 SER 80 2HB SER 80 19.978 10.342 -1.673 612 HB3 SER 80 3HB SER 80 19.807 8.908 -2.685 613 HG SER 80 HG SER 80 18.397 10.769 -3.169 614 H PHE 81 H PHE 81 16.916 9.026 0.719 615 HA PHE 81 HA PHE 81 15.168 7.462 -1.038 616 HB2 PHE 81 2HB PHE 81 14.134 6.501 1.114 617 HB3 PHE 81 3HB PHE 81 15.666 5.824 0.571 618 HD1 PHE 81 HD2 PHE 81 14.375 8.532 2.787 619 HD2 PHE 81 HD1 PHE 81 17.338 5.550 2.118 620 HE1 PHE 81 HE2 PHE 81 15.366 9.029 4.983 621 HE2 PHE 81 HE1 PHE 81 18.333 6.042 4.314 622 HZ PHE 81 HZ PHE 81 17.347 7.783 5.750 623 H SER 82 H SER 82 12.948 7.978 -0.890 624 HA SER 82 HA SER 82 12.475 10.693 0.060 625 HB2 SER 82 2HB SER 82 10.701 10.799 -1.443 626 HB3 SER 82 3HB SER 82 11.810 9.708 -2.273 627 HG SER 82 HG SER 82 9.444 9.094 -0.865 628 H ASP 83 H ASP 83 10.170 11.079 0.928 629 HA ASP 83 HA ASP 83 9.822 10.326 3.437 630 HB2 ASP 83 2HB ASP 83 7.496 10.352 1.504 631 HB3 ASP 83 3HB ASP 83 7.427 10.654 3.238 632 H ILE 84 H ILE 84 10.381 8.332 4.148 633 HA ILE 84 HA ILE 84 8.727 6.081 3.210 634 HB ILE 84 HB ILE 84 10.701 4.617 3.866 635 HG12 ILE 84 2HG1 ILE 84 12.427 7.003 3.360 636 HG13 ILE 84 3HG1 ILE 84 11.780 6.763 4.979 637 HG21 ILE 84 1HG2 ILE 84 10.054 5.931 1.482 638 HG22 ILE 84 2HG2 ILE 84 11.809 6.026 1.620 639 HG23 ILE 84 3HG2 ILE 84 11.004 4.457 1.672 640 HD11 ILE 84 3HD1 ILE 84 13.636 5.562 5.288 641 HD12 ILE 84 1HD1 ILE 84 12.758 4.296 4.430 642 HD13 ILE 84 2HD1 ILE 84 13.894 5.327 3.560 643 H ASP 85 H ASP 85 8.603 4.284 4.827 644 HA ASP 85 HA ASP 85 7.837 5.370 7.376 645 HB2 ASP 85 2HB ASP 85 7.884 2.497 6.426 646 HB3 ASP 85 3HB ASP 85 7.092 3.087 7.884 647 H GLU 86 H GLU 86 8.591 4.574 9.434 648 HA GLU 86 HA GLU 86 11.425 4.515 9.600 649 HB2 GLU 86 2HB GLU 86 11.133 4.404 11.969 650 HB3 GLU 86 3HB GLU 86 9.888 5.471 11.336 651 HG2 GLU 86 2HG GLU 86 8.398 3.369 11.341 652 HG3 GLU 86 3HG GLU 86 9.617 2.700 12.423 653 H ASN 87 H ASN 87 8.986 2.074 9.396 654 HA ASN 87 HA ASN 87 10.289 -0.094 10.575 655 HB2 ASN 87 2HB ASN 87 8.479 -0.186 8.153 656 HB3 ASN 87 3HB ASN 87 8.806 -1.505 9.273 657 HD21 ASN 87 1HD2 ASN 87 6.931 1.263 8.621 658 HD22 ASN 87 2HD2 ASN 87 5.972 1.236 10.058 659 H MET 88 H MET 88 10.326 0.985 7.184 660 HA MET 88 HA MET 88 12.273 -0.984 6.425 661 HB2 MET 88 2HB MET 88 12.283 0.217 4.256 662 HB3 MET 88 3HB MET 88 10.666 -0.234 4.782 663 HG2 MET 88 2HG MET 88 10.777 2.225 5.814 664 HG3 MET 88 3HG MET 88 11.887 2.434 4.462 665 HE1 MET 88 3HE MET 88 11.168 0.645 2.510 666 HE2 MET 88 1HE MET 88 9.537 0.581 1.839 667 HE3 MET 88 2HE MET 88 10.567 1.978 1.522 668 H LYS 89 H LYS 89 12.307 2.381 7.388 669 HA LYS 89 HA LYS 89 14.792 3.206 6.532 670 HB2 LYS 89 2HB LYS 89 12.927 4.419 7.929 671 HB3 LYS 89 3HB LYS 89 13.895 3.900 9.303 672 HG2 LYS 89 2HG LYS 89 15.701 5.222 8.693 673 HG3 LYS 89 3HG LYS 89 15.154 5.370 7.021 674 HD2 LYS 89 2HD LYS 89 13.490 6.918 7.582 675 HD3 LYS 89 3HD LYS 89 13.547 6.494 9.294 676 HE2 LYS 89 2HE LYS 89 15.852 7.766 7.836 677 HE3 LYS 89 3HE LYS 89 14.603 8.700 8.658 678 HZ1 LYS 89 3HZ LYS 89 15.212 7.220 10.658 679 HZ2 LYS 89 1HZ LYS 89 16.235 8.505 10.254 680 HZ3 LYS 89 2HZ LYS 89 16.649 6.925 9.815 681 H LYS 90 H LYS 90 13.977 1.212 9.322 682 HA LYS 90 HA LYS 90 16.468 1.178 10.582 683 HB2 LYS 90 2HB LYS 90 15.693 -0.688 11.796 684 HB3 LYS 90 3HB LYS 90 14.249 0.245 11.428 685 HG2 LYS 90 2HG LYS 90 13.487 -1.814 10.878 686 HG3 LYS 90 3HG LYS 90 14.201 -1.371 9.325 687 HD2 LYS 90 2HD LYS 90 15.876 -2.878 9.519 688 HD3 LYS 90 3HD LYS 90 16.022 -2.649 11.263 689 HE2 LYS 90 2HE LYS 90 13.737 -3.869 11.359 690 HE3 LYS 90 3HE LYS 90 14.145 -4.411 9.732 691 HZ1 LYS 90 3HZ LYS 90 15.078 -5.393 12.208 692 HZ2 LYS 90 1HZ LYS 90 16.391 -4.830 11.301 693 HZ3 LYS 90 2HZ LYS 90 15.356 -6.000 10.653 694 H VAL 91 H VAL 91 15.218 -0.734 7.899 695 HA VAL 91 HA VAL 91 17.440 -2.520 7.776 696 HB VAL 91 HB VAL 91 16.369 -3.542 6.058 697 HG11 VAL 91 1HG1 VAL 91 14.701 -2.981 7.915 698 HG12 VAL 91 2HG1 VAL 91 14.030 -1.805 6.784 699 HG13 VAL 91 3HG1 VAL 91 14.048 -3.519 6.369 700 HG21 VAL 91 3HG2 VAL 91 15.622 -0.798 5.067 701 HG22 VAL 91 1HG2 VAL 91 16.782 -1.927 4.366 702 HG23 VAL 91 2HG2 VAL 91 15.056 -2.288 4.312 703 H ILE 92 H ILE 92 16.619 0.530 6.224 704 HA ILE 92 HA ILE 92 18.714 0.505 4.315 705 HB ILE 92 HB ILE 92 17.518 3.014 5.463 706 HG12 ILE 92 2HG1 ILE 92 16.282 1.041 3.544 707 HG13 ILE 92 3HG1 ILE 92 15.600 1.669 5.040 708 HG21 ILE 92 1HG2 ILE 92 19.433 2.991 3.770 709 HG22 ILE 92 2HG2 ILE 92 18.234 2.423 2.609 710 HG23 ILE 92 3HG2 ILE 92 18.028 3.988 3.395 711 HD11 ILE 92 3HD1 ILE 92 14.455 2.741 3.294 712 HD12 ILE 92 1HD1 ILE 92 15.590 3.934 3.926 713 HD13 ILE 92 2HD1 ILE 92 15.948 3.086 2.421 714 H LYS 93 H LYS 93 18.403 2.035 7.509 715 HA LYS 93 HA LYS 93 20.969 3.215 7.519 716 HB2 LYS 93 2HB LYS 93 19.036 3.823 9.018 717 HB3 LYS 93 3HB LYS 93 19.370 2.360 9.935 718 HG2 LYS 93 2HG LYS 93 21.620 4.236 9.498 719 HG3 LYS 93 3HG LYS 93 20.347 4.728 10.619 720 HD2 LYS 93 2HD LYS 93 20.692 2.298 11.564 721 HD3 LYS 93 3HD LYS 93 22.276 2.460 10.802 722 HE2 LYS 93 2HE LYS 93 22.948 4.106 12.237 723 HE3 LYS 93 3HE LYS 93 21.309 4.701 12.495 724 HZ1 LYS 93 3HZ LYS 93 22.775 3.025 14.145 725 HZ2 LYS 93 1HZ LYS 93 21.540 2.071 13.491 726 HZ3 LYS 93 2HZ LYS 93 21.159 3.491 14.327 727 H ALA 94 H ALA 94 19.755 0.126 8.749 728 HA ALA 94 HA ALA 94 22.128 -0.710 10.010 729 HB1 ALA 94 1HB ALA 94 19.836 -2.287 8.857 730 HB2 ALA 94 2HB ALA 94 21.149 -3.003 9.793 731 HB3 ALA 94 3HB ALA 94 20.082 -1.813 10.539 732 H THR 95 H THR 95 20.988 -0.990 6.693 733 HA THR 95 HA THR 95 22.996 -2.788 5.807 734 HB THR 95 HB THR 95 21.279 -0.836 4.266 735 HG1 THR 95 HG1 THR 95 20.298 -2.704 5.368 736 HG21 THR 95 3HG2 THR 95 22.114 -2.891 2.569 737 HG22 THR 95 1HG2 THR 95 23.571 -2.377 3.418 738 HG23 THR 95 2HG2 THR 95 22.615 -1.201 2.516 739 H ALA 96 H ALA 96 22.682 0.747 5.634 740 HA ALA 96 HA ALA 96 25.139 1.175 4.287 741 HB1 ALA 96 1HB ALA 96 24.722 3.435 4.514 742 HB2 ALA 96 2HB ALA 96 23.097 2.751 4.587 743 HB3 ALA 96 3HB ALA 96 23.916 3.238 6.071 744 H GLU 97 H GLU 97 24.216 1.417 7.715 745 HA GLU 97 HA GLU 97 26.754 2.183 8.664 746 HB2 GLU 97 2HB GLU 97 25.916 1.788 10.836 747 HB3 GLU 97 3HB GLU 97 24.532 2.316 9.890 748 HG2 GLU 97 2HG GLU 97 23.632 0.552 11.022 749 HG3 GLU 97 3HG GLU 97 24.163 -0.245 9.542 750 H LYS 98 H LYS 98 25.315 -0.945 8.008 751 HA LYS 98 HA LYS 98 27.112 -2.597 9.356 752 HB2 LYS 98 2HB LYS 98 25.125 -3.555 8.452 753 HB3 LYS 98 3HB LYS 98 25.525 -3.017 6.826 754 HG2 LYS 98 2HG LYS 98 25.893 -5.385 7.009 755 HG3 LYS 98 3HG LYS 98 27.443 -4.563 6.814 756 HD2 LYS 98 2HD LYS 98 27.918 -6.042 8.518 757 HD3 LYS 98 3HD LYS 98 27.463 -4.598 9.426 758 HE2 LYS 98 2HE LYS 98 25.089 -5.592 9.400 759 HE3 LYS 98 3HE LYS 98 25.880 -7.100 8.943 760 HZ1 LYS 98 3HZ LYS 98 25.478 -6.320 11.468 761 HZ2 LYS 98 1HZ LYS 98 27.049 -5.744 11.217 762 HZ3 LYS 98 2HZ LYS 98 26.704 -7.385 10.994 763 H PHE 99 H PHE 99 27.325 -1.103 6.168 764 HA PHE 99 HA PHE 99 29.637 -2.449 5.289 765 HB2 PHE 99 2HB PHE 99 28.187 0.029 4.504 766 HB3 PHE 99 3HB PHE 99 29.845 -0.152 3.938 767 HD1 PHE 99 HD1 PHE 99 30.354 -2.576 2.938 768 HD2 PHE 99 HD2 PHE 99 26.519 -0.741 3.142 769 HE1 PHE 99 HE1 PHE 99 29.571 -4.017 1.105 770 HE2 PHE 99 HE2 PHE 99 25.729 -2.181 1.310 771 HZ PHE 99 HZ PHE 99 27.256 -3.821 0.288 772 H LYS 100 H LYS 100 29.162 0.371 7.306 773 HA LYS 100 HA LYS 100 31.766 1.413 7.235 774 HB2 LYS 100 2HB LYS 100 29.837 2.624 8.171 775 HB3 LYS 100 3HB LYS 100 29.768 1.480 9.505 776 HG2 LYS 100 2HG LYS 100 31.733 2.285 10.459 777 HG3 LYS 100 3HG LYS 100 32.245 3.074 8.965 778 HD2 LYS 100 2HD LYS 100 29.690 3.969 10.180 779 HD3 LYS 100 3HD LYS 100 31.184 4.422 11.003 780 HE2 LYS 100 2HE LYS 100 32.010 5.302 8.802 781 HE3 LYS 100 3HE LYS 100 30.392 5.029 8.159 782 HZ1 LYS 100 3HZ LYS 100 31.178 7.317 9.276 783 HZ2 LYS 100 1HZ LYS 100 30.515 6.545 10.628 784 HZ3 LYS 100 2HZ LYS 100 29.569 6.796 9.248 785 H ASN 101 H ASN 101 30.395 -1.290 8.949 786 HA ASN 101 HA ASN 101 32.359 -1.597 10.939 787 HB2 ASN 101 2HB ASN 101 30.018 -2.864 10.332 788 HB3 ASN 101 3HB ASN 101 31.200 -4.084 9.868 789 HD21 ASN 101 1HD2 ASN 101 29.223 -3.599 12.184 790 HD22 ASN 101 2HD2 ASN 101 30.157 -4.001 13.581 791 H LYS 102 H LYS 102 32.499 -2.048 7.575 792 HA LYS 102 HA LYS 102 34.801 -3.853 7.757 793 HB2 LYS 102 2HB LYS 102 32.840 -4.204 6.123 794 HB3 LYS 102 3HB LYS 102 33.537 -2.874 5.207 795 HG2 LYS 102 2HG LYS 102 34.580 -4.570 4.149 796 HG3 LYS 102 3HG LYS 102 35.723 -4.378 5.480 797 HD2 LYS 102 2HD LYS 102 34.349 -6.111 6.722 798 HD3 LYS 102 3HD LYS 102 33.530 -6.420 5.189 799 HE2 LYS 102 2HE LYS 102 36.515 -6.465 5.320 800 HE3 LYS 102 3HE LYS 102 35.593 -7.857 5.887 801 HZ1 LYS 102 3HZ LYS 102 36.153 -7.033 3.220 802 HZ2 LYS 102 1HZ LYS 102 34.488 -7.208 3.463 803 HZ3 LYS 102 2HZ LYS 102 35.528 -8.503 3.780 804 H GLY 103 H GLY 103 34.122 -0.583 7.629 805 HA2 GLY 103 2HA GLY 103 35.940 0.985 7.815 806 HA3 GLY 103 3HA GLY 103 36.866 -0.024 6.714 807 H PHE 104 H PHE 104 33.837 1.849 6.806 808 HA PHE 104 HA PHE 104 34.584 3.182 4.347 809 HB2 PHE 104 2HB PHE 104 32.157 1.392 4.518 810 HB3 PHE 104 3HB PHE 104 32.380 2.609 3.265 811 HD1 PHE 104 HD1 PHE 104 34.057 2.324 1.536 812 HD2 PHE 104 HD2 PHE 104 33.450 -0.638 4.532 813 HE1 PHE 104 HE1 PHE 104 35.334 0.707 0.192 814 HE2 PHE 104 HE2 PHE 104 34.727 -2.259 3.193 815 HZ PHE 104 HZ PHE 104 35.671 -1.588 1.020 816 H LYS 105 H LYS 105 33.023 4.908 3.770 817 HA LYS 105 HA LYS 105 32.009 6.150 6.209 818 HB2 LYS 105 2HB LYS 105 33.505 7.442 4.724 819 HB3 LYS 105 3HB LYS 105 32.322 7.300 3.430 820 HG2 LYS 105 2HG LYS 105 32.119 9.465 4.417 821 HG3 LYS 105 3HG LYS 105 30.695 8.517 4.851 822 HD2 LYS 105 2HD LYS 105 31.422 9.690 6.805 823 HD3 LYS 105 3HD LYS 105 31.810 7.982 7.024 824 HE2 LYS 105 2HE LYS 105 33.643 9.450 7.745 825 HE3 LYS 105 3HE LYS 105 34.118 8.401 6.411 826 HZ1 LYS 105 3HZ LYS 105 34.510 11.056 6.480 827 HZ2 LYS 105 1HZ LYS 105 33.068 10.964 5.600 828 HZ3 LYS 105 2HZ LYS 105 34.442 10.137 5.061 829 H VAL 106 H VAL 106 29.900 6.597 6.592 830 HA VAL 106 HA VAL 106 27.960 5.726 4.548 831 HB VAL 106 HB VAL 106 27.584 5.673 7.545 832 HG11 VAL 106 1HG1 VAL 106 25.841 4.951 5.220 833 HG12 VAL 106 2HG1 VAL 106 25.631 4.160 6.783 834 HG13 VAL 106 3HG1 VAL 106 25.455 5.910 6.649 835 HG21 VAL 106 3HG2 VAL 106 27.954 3.328 5.689 836 HG22 VAL 106 1HG2 VAL 106 29.251 4.026 6.660 837 HG23 VAL 106 2HG2 VAL 106 27.849 3.303 7.449 838 H GLU 107 H GLU 107 26.481 7.158 3.888 839 HA GLU 107 HA GLU 107 26.067 9.587 5.497 840 HB2 GLU 107 2HB GLU 107 26.044 9.661 2.495 841 HB3 GLU 107 3HB GLU 107 26.222 10.993 3.629 842 HG2 GLU 107 2HG GLU 107 28.430 9.805 4.286 843 HG3 GLU 107 3HG GLU 107 28.246 8.992 2.732 844 H THR 108 H THR 108 24.002 10.408 5.549 845 HA THR 108 HA THR 108 21.938 8.795 4.195 846 HB THR 108 HB THR 108 20.519 9.760 6.231 847 HG1 THR 108 HG1 THR 108 21.700 10.362 7.891 848 HG21 THR 108 3HG2 THR 108 22.323 7.434 6.805 849 HG22 THR 108 1HG2 THR 108 21.109 7.341 5.530 850 HG23 THR 108 2HG2 THR 108 20.616 7.640 7.196 851 H ASP 109 H ASP 109 20.470 9.845 2.995 852 HA ASP 109 HA ASP 109 20.063 12.712 3.377 853 HB2 ASP 109 2HB ASP 109 21.849 11.965 1.503 854 HB3 ASP 109 3HB ASP 109 20.370 11.863 0.552 855 H MET 110 H MET 110 18.338 13.440 1.625 856 HA MET 110 HA MET 110 16.325 11.336 1.286 857 HB2 MET 110 2HB MET 110 15.703 14.059 2.441 858 HB3 MET 110 3HB MET 110 14.564 12.747 2.173 859 HG2 MET 110 2HG MET 110 15.515 11.440 3.894 860 HG3 MET 110 3HG MET 110 16.918 12.500 4.017 861 HE1 MET 110 3HE MET 110 15.384 13.156 7.442 862 HE2 MET 110 1HE MET 110 16.248 11.941 6.499 863 HE3 MET 110 2HE MET 110 16.867 13.590 6.590 Start of MODEL 8 1 H1 MET 1 H MET 1 1.834 -0.418 0.994 2 HA MET 1 HA MET 1 1.428 -0.695 -1.882 3 HB2 MET 1 2HB MET 1 3.135 1.360 -1.982 4 HB3 MET 1 3HB MET 1 1.391 1.577 -2.022 5 HG2 MET 1 2HG MET 1 2.440 3.141 -0.492 6 HG3 MET 1 3HG MET 1 1.374 2.029 0.364 7 HE1 MET 1 3HE MET 1 4.855 1.054 -1.061 8 HE2 MET 1 1HE MET 1 5.165 2.726 -0.595 9 HE3 MET 1 2HE MET 1 5.944 1.408 0.281 10 H THR 2 H THR 2 3.599 -0.712 -3.039 11 HA THR 2 HA THR 2 5.488 -2.264 -1.406 12 HB THR 2 HB THR 2 5.578 -2.185 -4.404 13 HG1 THR 2 HG1 THR 2 3.931 -3.936 -2.870 14 HG21 THR 2 3HG2 THR 2 6.670 -4.253 -4.210 15 HG22 THR 2 1HG2 THR 2 6.090 -4.507 -2.565 16 HG23 THR 2 2HG2 THR 2 7.328 -3.292 -2.886 17 H LEU 3 H LEU 3 7.476 -1.520 -1.016 18 HA LEU 3 HA LEU 3 8.400 0.825 -2.544 19 HB2 LEU 3 2HB LEU 3 7.934 0.596 0.194 20 HB3 LEU 3 3HB LEU 3 9.686 0.502 0.024 21 HG LEU 3 HG LEU 3 9.814 2.663 -0.907 22 HD11 LEU 3 1HD1 LEU 3 7.074 2.124 -1.699 23 HD12 LEU 3 2HD1 LEU 3 8.260 3.225 -2.399 24 HD13 LEU 3 3HD1 LEU 3 7.278 3.743 -1.029 25 HD21 LEU 3 3HD2 LEU 3 8.224 2.280 1.521 26 HD22 LEU 3 1HD2 LEU 3 8.044 3.871 0.780 27 HD23 LEU 3 2HD2 LEU 3 9.645 3.288 1.237 28 H CYS 4 H CYS 4 10.176 0.524 -3.704 29 HA CYS 4 HA CYS 4 12.033 -1.619 -2.902 30 HB2 CYS 4 2HB CYS 4 11.488 -0.732 -5.739 31 HB3 CYS 4 3HB CYS 4 12.462 -2.103 -5.222 32 HG CYS 4 HG CYS 4 9.378 -2.348 -4.051 33 H ALA 5 H ALA 5 14.270 -1.297 -3.495 34 HA ALA 5 HA ALA 5 15.017 1.488 -4.043 35 HB1 ALA 5 1HB ALA 5 15.735 1.820 -1.972 36 HB2 ALA 5 2HB ALA 5 15.292 0.173 -1.523 37 HB3 ALA 5 3HB ALA 5 16.893 0.506 -2.183 38 H MET 6 H MET 6 16.909 1.759 -5.180 39 HA MET 6 HA MET 6 18.201 -0.720 -6.112 40 HB2 MET 6 2HB MET 6 18.627 0.352 -8.217 41 HB3 MET 6 3HB MET 6 16.921 0.553 -7.839 42 HG2 MET 6 2HG MET 6 17.843 2.820 -6.788 43 HG3 MET 6 3HG MET 6 19.079 2.562 -8.018 44 HE1 MET 6 3HE MET 6 18.357 2.797 -10.892 45 HE2 MET 6 1HE MET 6 17.978 1.223 -10.191 46 HE3 MET 6 2HE MET 6 16.776 2.066 -11.168 47 H TYR 7 H TYR 7 20.290 -0.973 -5.668 48 HA TYR 7 HA TYR 7 21.860 1.408 -4.925 49 HB2 TYR 7 2HB TYR 7 22.954 0.199 -3.205 50 HB3 TYR 7 3HB TYR 7 21.242 -0.164 -3.019 51 HD1 TYR 7 HD1 TYR 7 20.372 -2.368 -3.909 52 HD2 TYR 7 HD2 TYR 7 24.526 -1.521 -3.542 53 HE1 TYR 7 HE1 TYR 7 20.866 -4.775 -4.015 54 HE2 TYR 7 HE2 TYR 7 25.031 -3.926 -3.648 55 HH TYR 7 HH TYR 7 23.231 -6.135 -4.810 56 H ASN 8 H ASN 8 23.958 1.538 -5.657 57 HA ASN 8 HA ASN 8 24.767 -0.527 -7.597 58 HB2 ASN 8 2HB ASN 8 25.886 1.231 -8.876 59 HB3 ASN 8 3HB ASN 8 24.179 1.612 -8.673 60 HD21 ASN 8 1HD2 ASN 8 27.421 2.345 -7.571 61 HD22 ASN 8 2HD2 ASN 8 27.058 3.914 -6.946 62 H ILE 9 H ILE 9 26.769 -1.381 -7.435 63 HA ILE 9 HA ILE 9 28.511 -0.315 -5.310 64 HB ILE 9 HB ILE 9 29.457 -2.741 -5.380 65 HG12 ILE 9 2HG1 ILE 9 27.808 -3.150 -7.403 66 HG13 ILE 9 3HG1 ILE 9 28.145 -4.429 -6.242 67 HG21 ILE 9 1HG2 ILE 9 28.446 -1.884 -3.411 68 HG22 ILE 9 2HG2 ILE 9 26.836 -1.958 -4.126 69 HG23 ILE 9 3HG2 ILE 9 27.693 -3.447 -3.728 70 HD11 ILE 9 3HD1 ILE 9 26.067 -4.312 -5.304 71 HD12 ILE 9 1HD1 ILE 9 25.840 -2.620 -5.746 72 HD13 ILE 9 2HD1 ILE 9 25.698 -3.879 -6.973 73 H SER 10 H SER 10 30.541 0.237 -5.820 74 HA SER 10 HA SER 10 31.482 -0.392 -8.540 75 HB2 SER 10 2HB SER 10 31.033 2.073 -7.704 76 HB3 SER 10 3HB SER 10 32.622 1.881 -6.964 77 HG SER 10 HG SER 10 32.334 1.124 -9.633 78 H MET 11 H MET 11 33.195 -1.670 -8.703 79 HA MET 11 HA MET 11 34.674 -2.404 -6.321 80 HB2 MET 11 2HB MET 11 35.628 -4.161 -7.645 81 HB3 MET 11 3HB MET 11 33.907 -4.093 -8.000 82 HG2 MET 11 2HG MET 11 35.324 -2.405 -9.820 83 HG3 MET 11 3HG MET 11 36.054 -4.009 -9.803 84 HE1 MET 11 3HE MET 11 34.978 -2.502 -12.008 85 HE2 MET 11 1HE MET 11 34.217 -3.775 -12.961 86 HE3 MET 11 2HE MET 11 33.238 -2.467 -12.298 87 H ALA 12 H ALA 12 34.920 0.009 -8.561 88 HA ALA 12 HA ALA 12 37.398 0.938 -7.683 89 HB1 ALA 12 1HB ALA 12 37.770 -1.176 -9.409 90 HB2 ALA 12 2HB ALA 12 37.975 0.237 -10.445 91 HB3 ALA 12 3HB ALA 12 38.967 0.053 -8.998 92 H GLY 13 H GLY 13 38.348 2.298 -9.908 93 HA2 GLY 13 2HA GLY 13 36.285 4.306 -10.190 94 HA3 GLY 13 3HA GLY 13 37.941 4.419 -10.767 95 H SER 14 H SER 14 35.455 1.980 -11.454 96 HA SER 14 HA SER 14 35.436 2.868 -14.254 97 HB2 SER 14 2HB SER 14 36.977 0.881 -13.884 98 HB3 SER 14 3HB SER 14 35.536 -0.048 -13.471 99 HG SER 14 HG SER 14 36.429 0.142 -15.810 100 H HIS 15 H HIS 15 33.577 2.078 -15.480 101 HA HIS 15 HA HIS 15 31.157 2.683 -14.582 102 HB2 HIS 15 2HB HIS 15 31.896 0.391 -16.395 103 HB3 HIS 15 3HB HIS 15 30.219 0.835 -16.090 104 HD1 HIS 15 HD1 HIS 15 29.907 3.644 -16.506 105 HD2 HIS 15 HD2 HIS 15 32.788 1.555 -18.650 106 HE1 HIS 15 HE1 HIS 15 30.403 5.062 -18.523 107 HA PRO 16 HA PRO 16 30.751 -0.129 -11.078 108 HB2 PRO 16 2HB PRO 16 28.696 1.236 -9.943 109 HB3 PRO 16 3HB PRO 16 30.386 1.725 -9.771 110 HG2 PRO 16 2HG PRO 16 28.287 2.782 -11.626 111 HG3 PRO 16 3HG PRO 16 29.490 3.672 -10.675 112 HD2 PRO 16 2HD PRO 16 29.804 3.170 -13.317 113 HD3 PRO 16 3HD PRO 16 31.176 3.268 -12.194 114 H THR 17 H THR 17 28.678 -1.115 -10.068 115 HA THR 17 HA THR 17 26.872 -1.888 -12.266 116 HB THR 17 HB THR 17 27.699 -3.536 -9.868 117 HG1 THR 17 HG1 THR 17 28.637 -4.837 -11.638 118 HG21 THR 17 3HG2 THR 17 25.964 -4.255 -12.233 119 HG22 THR 17 1HG2 THR 17 25.402 -4.006 -10.581 120 HG23 THR 17 2HG2 THR 17 26.474 -5.355 -10.953 121 H THR 18 H THR 18 24.781 -1.443 -12.028 122 HA THR 18 HA THR 18 23.832 -0.590 -9.380 123 HB THR 18 HB THR 18 22.428 -0.087 -12.001 124 HG1 THR 18 HG1 THR 18 24.614 0.822 -11.917 125 HG21 THR 18 3HG2 THR 18 21.807 1.984 -10.418 126 HG22 THR 18 1HG2 THR 18 22.086 0.757 -9.183 127 HG23 THR 18 2HG2 THR 18 20.878 0.485 -10.440 128 H ILE 19 H ILE 19 21.989 -1.447 -8.475 129 HA ILE 19 HA ILE 19 20.592 -3.571 -9.928 130 HB ILE 19 HB ILE 19 22.338 -3.969 -7.632 131 HG12 ILE 19 2HG1 ILE 19 20.929 -5.730 -9.635 132 HG13 ILE 19 3HG1 ILE 19 22.633 -5.295 -9.588 133 HG21 ILE 19 1HG2 ILE 19 20.843 -5.539 -6.452 134 HG22 ILE 19 2HG2 ILE 19 20.292 -3.867 -6.355 135 HG23 ILE 19 3HG2 ILE 19 19.507 -4.991 -7.464 136 HD11 ILE 19 3HD1 ILE 19 22.830 -6.575 -7.467 137 HD12 ILE 19 1HD1 ILE 19 21.168 -7.115 -7.699 138 HD13 ILE 19 2HD1 ILE 19 22.409 -7.554 -8.873 139 H CYS 20 H CYS 20 18.456 -3.842 -9.367 140 HA CYS 20 HA CYS 20 17.401 -1.972 -7.348 141 HB2 CYS 20 2HB CYS 20 15.318 -1.920 -8.797 142 HB3 CYS 20 3HB CYS 20 16.732 -1.107 -9.457 143 HG CYS 20 HG CYS 20 16.497 -4.297 -10.409 144 H VAL 21 H VAL 21 16.529 -2.986 -5.679 145 HA VAL 21 HA VAL 21 14.947 -5.408 -6.138 146 HB VAL 21 HB VAL 21 15.949 -6.480 -4.129 147 HG11 VAL 21 1HG1 VAL 21 16.727 -7.398 -6.108 148 HG12 VAL 21 2HG1 VAL 21 17.572 -5.923 -6.580 149 HG13 VAL 21 3HG1 VAL 21 18.220 -6.938 -5.291 150 HG21 VAL 21 3HG2 VAL 21 16.843 -4.420 -3.108 151 HG22 VAL 21 1HG2 VAL 21 18.063 -5.684 -3.256 152 HG23 VAL 21 2HG2 VAL 21 18.053 -4.332 -4.388 153 H VAL 22 H VAL 22 13.304 -5.761 -4.638 154 HA VAL 22 HA VAL 22 12.220 -3.451 -3.416 155 HB VAL 22 HB VAL 22 10.878 -5.385 -4.266 156 HG11 VAL 22 1HG1 VAL 22 11.180 -6.811 -1.699 157 HG12 VAL 22 2HG1 VAL 22 10.899 -7.440 -3.323 158 HG13 VAL 22 3HG1 VAL 22 12.522 -6.954 -2.833 159 HG21 VAL 22 3HG2 VAL 22 10.189 -3.595 -2.479 160 HG22 VAL 22 1HG2 VAL 22 9.128 -4.958 -2.836 161 HG23 VAL 22 2HG2 VAL 22 10.150 -4.989 -1.400 162 H MET 23 H MET 23 11.771 -3.092 -1.174 163 HA MET 23 HA MET 23 13.957 -3.270 0.512 164 HB2 MET 23 2HB MET 23 12.064 -1.711 0.824 165 HB3 MET 23 3HB MET 23 11.054 -3.058 1.330 166 HG2 MET 23 2HG MET 23 13.264 -3.241 2.974 167 HG3 MET 23 3HG MET 23 12.978 -1.508 2.836 168 HE1 MET 23 3HE MET 23 12.859 -3.979 4.924 169 HE2 MET 23 1HE MET 23 11.489 -3.739 6.009 170 HE3 MET 23 2HE MET 23 11.359 -4.872 4.664 171 H ASP 24 H ASP 24 11.202 -5.450 0.192 172 HA ASP 24 HA ASP 24 11.669 -7.067 2.421 173 HB2 ASP 24 2HB ASP 24 9.696 -7.031 0.698 174 HB3 ASP 24 3HB ASP 24 10.660 -8.240 -0.147 175 H ARG 25 H ARG 25 13.063 -7.139 -0.812 176 HA ARG 25 HA ARG 25 14.694 -9.460 -0.080 177 HB2 ARG 25 2HB ARG 25 14.270 -8.085 -2.738 178 HB3 ARG 25 3HB ARG 25 15.332 -9.464 -2.490 179 HG2 ARG 25 2HG ARG 25 13.306 -10.713 -1.646 180 HG3 ARG 25 3HG ARG 25 12.340 -9.366 -2.253 181 HD2 ARG 25 2HD ARG 25 14.266 -10.970 -3.928 182 HD3 ARG 25 3HD ARG 25 12.534 -11.285 -3.834 183 HE ARG 25 HE ARG 25 12.750 -8.639 -4.522 184 HH11 ARG 25 1HH1 ARG 25 13.834 -11.667 -5.853 185 HH12 ARG 25 2HH1 ARG 25 13.788 -11.112 -7.494 186 HH21 ARG 25 1HH2 ARG 25 12.685 -7.896 -6.678 187 HH22 ARG 25 2HH2 ARG 25 13.135 -8.966 -7.962 188 H PHE 26 H PHE 26 14.844 -6.094 -0.191 189 HA PHE 26 HA PHE 26 17.506 -5.655 -0.987 190 HB2 PHE 26 2HB PHE 26 15.814 -3.862 -0.788 191 HB3 PHE 26 3HB PHE 26 15.847 -4.044 0.963 192 HD1 PHE 26 HD1 PHE 26 18.615 -3.963 -1.524 193 HD2 PHE 26 HD2 PHE 26 16.749 -2.101 1.818 194 HE1 PHE 26 HE1 PHE 26 20.465 -2.347 -1.396 195 HE2 PHE 26 HE2 PHE 26 18.596 -0.481 1.951 196 HZ PHE 26 HZ PHE 26 20.457 -0.602 0.342 197 H LEU 27 H LEU 27 16.073 -6.240 2.201 198 HA LEU 27 HA LEU 27 18.362 -5.889 3.753 199 HB2 LEU 27 2HB LEU 27 16.009 -6.167 4.566 200 HB3 LEU 27 3HB LEU 27 16.174 -7.896 4.263 201 HG LEU 27 HG LEU 27 18.157 -6.582 6.054 202 HD11 LEU 27 1HD1 LEU 27 15.633 -7.557 7.274 203 HD12 LEU 27 2HD1 LEU 27 15.645 -5.939 6.574 204 HD13 LEU 27 3HD1 LEU 27 16.784 -6.354 7.855 205 HD21 LEU 27 3HD2 LEU 27 16.945 -9.280 5.662 206 HD22 LEU 27 1HD2 LEU 27 17.630 -8.853 7.231 207 HD23 LEU 27 2HD2 LEU 27 18.642 -8.814 5.787 208 H GLU 28 H GLU 28 17.079 -8.855 2.266 209 HA GLU 28 HA GLU 28 19.205 -10.510 3.167 210 HB2 GLU 28 2HB GLU 28 16.830 -11.152 2.310 211 HB3 GLU 28 3HB GLU 28 17.579 -11.114 0.720 212 HG2 GLU 28 2HG GLU 28 19.328 -12.699 1.740 213 HG3 GLU 28 3HG GLU 28 18.138 -12.943 3.018 214 H SER 29 H SER 29 18.530 -8.879 0.090 215 HA SER 29 HA SER 29 20.684 -9.860 -1.377 216 HB2 SER 29 2HB SER 29 20.273 -8.115 -2.919 217 HB3 SER 29 3HB SER 29 18.704 -8.437 -2.180 218 HG SER 29 HG SER 29 19.330 -6.670 -0.679 219 H PHE 30 H PHE 30 20.492 -7.122 0.840 220 HA PHE 30 HA PHE 30 23.094 -6.123 0.324 221 HB2 PHE 30 2HB PHE 30 22.188 -4.453 1.507 222 HB3 PHE 30 3HB PHE 30 20.891 -5.499 2.078 223 HD1 PHE 30 HD2 PHE 30 24.458 -4.665 2.730 224 HD2 PHE 30 HD1 PHE 30 20.755 -6.035 4.320 225 HE1 PHE 30 HE2 PHE 30 25.411 -4.600 4.997 226 HE2 PHE 30 HE1 PHE 30 21.702 -5.971 6.590 227 HZ PHE 30 HZ PHE 30 24.033 -5.255 6.931 228 H SER 31 H SER 31 21.791 -8.281 2.819 229 HA SER 31 HA SER 31 24.089 -8.605 4.348 230 HB2 SER 31 2HB SER 31 21.992 -9.458 5.156 231 HB3 SER 31 3HB SER 31 21.837 -10.540 3.772 232 HG SER 31 HG SER 31 22.684 -11.383 5.900 233 H GLU 32 H GLU 32 22.999 -10.453 1.519 234 HA GLU 32 HA GLU 32 25.283 -12.172 1.511 235 HB2 GLU 32 2HB GLU 32 22.964 -12.635 0.512 236 HB3 GLU 32 3HB GLU 32 23.487 -11.651 -0.848 237 HG2 GLU 32 2HG GLU 32 23.906 -13.854 -1.494 238 HG3 GLU 32 3HG GLU 32 25.479 -13.212 -1.022 239 H LEU 33 H LEU 33 24.326 -9.282 -0.290 240 HA LEU 33 HA LEU 33 26.392 -9.204 -2.146 241 HB2 LEU 33 2HB LEU 33 24.484 -7.729 -2.278 242 HB3 LEU 33 3HB LEU 33 24.956 -6.935 -0.777 243 HG LEU 33 HG LEU 33 25.408 -5.754 -3.032 244 HD11 LEU 33 1HD1 LEU 33 26.312 -5.281 -0.646 245 HD12 LEU 33 2HD1 LEU 33 27.082 -4.518 -2.036 246 HD13 LEU 33 3HD1 LEU 33 27.824 -5.929 -1.283 247 HD21 LEU 33 3HD2 LEU 33 27.087 -6.456 -4.373 248 HD22 LEU 33 1HD2 LEU 33 26.657 -8.030 -3.703 249 HD23 LEU 33 2HD2 LEU 33 28.021 -7.131 -3.037 250 H TYR 34 H TYR 34 26.313 -8.119 1.204 251 HA TYR 34 HA TYR 34 28.821 -6.800 1.176 252 HB2 TYR 34 2HB TYR 34 27.288 -6.267 2.929 253 HB3 TYR 34 3HB TYR 34 27.158 -7.953 3.416 254 HD1 TYR 34 HD1 TYR 34 28.938 -9.018 4.705 255 HD2 TYR 34 HD2 TYR 34 29.179 -4.917 3.600 256 HE1 TYR 34 HE1 TYR 34 30.739 -8.688 6.347 257 HE2 TYR 34 HE2 TYR 34 30.982 -4.575 5.238 258 HH TYR 34 HH TYR 34 32.387 -7.267 7.012 259 H ASP 35 H ASP 35 27.840 -10.118 1.693 260 HA ASP 35 HA ASP 35 30.349 -11.011 2.727 261 HB2 ASP 35 2HB ASP 35 27.763 -12.120 2.304 262 HB3 ASP 35 3HB ASP 35 28.930 -13.157 1.488 263 H ILE 36 H ILE 36 29.023 -10.535 -0.444 264 HA ILE 36 HA ILE 36 31.241 -11.986 -1.688 265 HB ILE 36 HB ILE 36 29.081 -12.482 -2.633 266 HG12 ILE 36 2HG1 ILE 36 31.267 -11.816 -4.080 267 HG13 ILE 36 3HG1 ILE 36 29.785 -12.446 -4.792 268 HG21 ILE 36 1HG2 ILE 36 28.836 -9.502 -2.982 269 HG22 ILE 36 2HG2 ILE 36 27.786 -10.667 -3.788 270 HG23 ILE 36 3HG2 ILE 36 27.806 -10.569 -2.028 271 HD11 ILE 36 3HD1 ILE 36 30.824 -10.395 -5.865 272 HD12 ILE 36 1HD1 ILE 36 29.100 -10.328 -5.504 273 HD13 ILE 36 2HD1 ILE 36 30.254 -9.507 -4.453 274 H ILE 37 H ILE 37 30.276 -8.828 -0.853 275 HA ILE 37 HA ILE 37 31.437 -7.293 -2.882 276 HB ILE 37 HB ILE 37 29.971 -6.489 -0.956 277 HG12 ILE 37 2HG1 ILE 37 31.188 -4.250 -0.877 278 HG13 ILE 37 3HG1 ILE 37 32.455 -5.014 -1.831 279 HG21 ILE 37 1HG2 ILE 37 32.006 -7.455 0.600 280 HG22 ILE 37 2HG2 ILE 37 32.312 -5.719 0.607 281 HG23 ILE 37 3HG2 ILE 37 30.749 -6.341 1.136 282 HD11 ILE 37 3HD1 ILE 37 31.175 -3.977 -3.435 283 HD12 ILE 37 1HD1 ILE 37 30.522 -5.615 -3.445 284 HD13 ILE 37 2HD1 ILE 37 29.659 -4.327 -2.604 285 H ASP 38 H ASP 38 32.890 -9.254 -0.497 286 HA ASP 38 HA ASP 38 35.456 -7.867 -0.667 287 HB2 ASP 38 2HB ASP 38 34.614 -10.266 0.973 288 HB3 ASP 38 3HB ASP 38 36.193 -9.489 1.051 289 H GLU 39 H GLU 39 34.234 -9.320 -2.945 290 HA GLU 39 HA GLU 39 36.115 -11.539 -3.296 291 HB2 GLU 39 2HB GLU 39 33.586 -10.724 -4.699 292 HB3 GLU 39 3HB GLU 39 34.711 -11.846 -5.452 293 HG2 GLU 39 2HG GLU 39 33.366 -12.228 -2.786 294 HG3 GLU 39 3HG GLU 39 32.908 -13.008 -4.299 295 H ASN 40 H ASN 40 35.059 -8.541 -4.868 296 HA ASN 40 HA ASN 40 36.114 -7.123 -6.300 297 HB2 ASN 40 2HB ASN 40 37.995 -7.568 -4.562 298 HB3 ASN 40 3HB ASN 40 38.709 -8.563 -5.828 299 HD21 ASN 40 1HD2 ASN 40 38.064 -5.383 -4.719 300 HD22 ASN 40 2HD2 ASN 40 38.901 -4.537 -5.972 301 H ASP 41 H ASP 41 35.131 -9.832 -7.111 302 HA ASP 41 HA ASP 41 36.747 -10.203 -9.543 303 HB2 ASP 41 2HB ASP 41 36.156 -12.117 -7.781 304 HB3 ASP 41 3HB ASP 41 34.689 -12.204 -8.752 305 H THR 42 H THR 42 35.864 -9.892 -11.506 306 HA THR 42 HA THR 42 33.395 -8.495 -11.713 307 HB THR 42 HB THR 42 33.779 -8.432 -14.087 308 HG1 THR 42 HG1 THR 42 35.601 -9.692 -14.931 309 HG21 THR 42 3HG2 THR 42 35.715 -7.191 -14.096 310 HG22 THR 42 1HG2 THR 42 36.580 -8.331 -13.066 311 HG23 THR 42 2HG2 THR 42 35.380 -7.245 -12.365 312 H ASP 43 H ASP 43 34.413 -11.794 -12.478 313 HA ASP 43 HA ASP 43 32.006 -12.614 -13.701 314 HB2 ASP 43 2HB ASP 43 34.387 -13.749 -13.572 315 HB3 ASP 43 3HB ASP 43 33.686 -14.559 -12.174 316 H VAL 44 H VAL 44 33.165 -12.832 -10.357 317 HA VAL 44 HA VAL 44 30.886 -14.212 -9.372 318 HB VAL 44 HB VAL 44 32.874 -12.508 -7.863 319 HG11 VAL 44 1HG1 VAL 44 32.123 -14.089 -5.974 320 HG12 VAL 44 2HG1 VAL 44 31.063 -12.750 -6.418 321 HG13 VAL 44 3HG1 VAL 44 30.707 -14.383 -6.983 322 HG21 VAL 44 3HG2 VAL 44 32.852 -15.400 -8.660 323 HG22 VAL 44 1HG2 VAL 44 34.136 -14.205 -8.849 324 HG23 VAL 44 2HG2 VAL 44 33.755 -14.845 -7.251 325 H MET 45 H MET 45 31.786 -10.800 -9.554 326 HA MET 45 HA MET 45 29.553 -9.844 -8.074 327 HB2 MET 45 2HB MET 45 31.624 -8.603 -9.837 328 HB3 MET 45 3HB MET 45 30.201 -7.664 -9.405 329 HG2 MET 45 2HG MET 45 31.886 -9.010 -7.327 330 HG3 MET 45 3HG MET 45 32.286 -7.415 -7.961 331 HE1 MET 45 3HE MET 45 30.271 -5.007 -6.941 332 HE2 MET 45 1HE MET 45 30.349 -5.873 -8.476 333 HE3 MET 45 2HE MET 45 28.826 -5.784 -7.591 334 H MET 46 H MET 46 30.229 -10.170 -11.541 335 HA MET 46 HA MET 46 27.786 -9.029 -12.412 336 HB2 MET 46 2HB MET 46 28.394 -9.728 -14.581 337 HB3 MET 46 3HB MET 46 29.914 -9.373 -13.771 338 HG2 MET 46 2HG MET 46 30.258 -11.750 -13.358 339 HG3 MET 46 3HG MET 46 28.728 -12.112 -14.153 340 HE1 MET 46 3HE MET 46 28.729 -10.298 -16.882 341 HE2 MET 46 1HE MET 46 29.331 -11.657 -17.833 342 HE3 MET 46 2HE MET 46 28.210 -11.941 -16.501 343 H ASP 47 H ASP 47 28.794 -12.322 -11.668 344 HA ASP 47 HA ASP 47 26.415 -13.565 -12.624 345 HB2 ASP 47 2HB ASP 47 28.394 -14.904 -12.454 346 HB3 ASP 47 3HB ASP 47 28.588 -14.505 -10.749 347 H PHE 48 H PHE 48 27.510 -12.429 -9.463 348 HA PHE 48 HA PHE 48 25.271 -13.424 -8.021 349 HB2 PHE 48 2HB PHE 48 27.214 -12.989 -6.745 350 HB3 PHE 48 3HB PHE 48 27.382 -11.366 -7.407 351 HD1 PHE 48 HD2 PHE 48 26.022 -9.538 -6.584 352 HD2 PHE 48 HD1 PHE 48 25.663 -13.456 -4.961 353 HE1 PHE 48 HE2 PHE 48 24.792 -8.624 -4.658 354 HE2 PHE 48 HE1 PHE 48 24.433 -12.550 -3.034 355 HZ PHE 48 HZ PHE 48 23.995 -10.131 -2.881 356 H ILE 49 H ILE 49 26.094 -10.233 -9.339 357 HA ILE 49 HA ILE 49 23.793 -8.896 -8.422 358 HB ILE 49 HB ILE 49 25.913 -8.340 -10.399 359 HG12 ILE 49 2HG1 ILE 49 25.405 -6.006 -9.196 360 HG13 ILE 49 3HG1 ILE 49 24.647 -7.074 -8.021 361 HG21 ILE 49 1HG2 ILE 49 23.174 -7.120 -10.601 362 HG22 ILE 49 2HG2 ILE 49 24.619 -6.326 -11.223 363 HG23 ILE 49 3HG2 ILE 49 24.125 -7.890 -11.871 364 HD11 ILE 49 3HD1 ILE 49 27.518 -6.980 -8.872 365 HD12 ILE 49 1HD1 ILE 49 26.837 -6.747 -7.263 366 HD13 ILE 49 2HD1 ILE 49 26.836 -8.350 -7.997 367 H SER 50 H SER 50 24.516 -10.418 -11.553 368 HA SER 50 HA SER 50 22.056 -9.823 -12.778 369 HB2 SER 50 2HB SER 50 24.234 -10.690 -13.850 370 HB3 SER 50 3HB SER 50 23.662 -12.296 -13.398 371 HG SER 50 HG SER 50 22.176 -10.443 -14.951 372 H ARG 51 H ARG 51 23.094 -12.511 -10.757 373 HA ARG 51 HA ARG 51 20.702 -14.038 -11.140 374 HB2 ARG 51 2HB ARG 51 23.054 -14.222 -9.286 375 HB3 ARG 51 3HB ARG 51 21.632 -15.219 -9.011 376 HG2 ARG 51 2HG ARG 51 23.066 -15.170 -11.647 377 HG3 ARG 51 3HG ARG 51 23.529 -16.254 -10.333 378 HD2 ARG 51 2HD ARG 51 21.413 -17.333 -10.367 379 HD3 ARG 51 3HD ARG 51 20.733 -16.107 -11.436 380 HE ARG 51 HE ARG 51 22.204 -18.415 -12.209 381 HH11 ARG 51 1HH1 ARG 51 21.598 -15.092 -13.051 382 HH12 ARG 51 2HH1 ARG 51 21.953 -15.317 -14.732 383 HH21 ARG 51 1HH2 ARG 51 22.674 -18.724 -14.419 384 HH22 ARG 51 2HH2 ARG 51 22.564 -17.383 -15.509 385 H PHE 52 H PHE 52 21.767 -11.573 -8.918 386 HA PHE 52 HA PHE 52 19.509 -11.998 -7.137 387 HB2 PHE 52 2HB PHE 52 21.999 -10.383 -7.074 388 HB3 PHE 52 3HB PHE 52 20.615 -9.736 -6.198 389 HD1 PHE 52 HD1 PHE 52 22.141 -13.114 -6.661 390 HD2 PHE 52 HD2 PHE 52 20.674 -10.173 -3.957 391 HE1 PHE 52 HE1 PHE 52 22.646 -14.605 -4.771 392 HE2 PHE 52 HE2 PHE 52 21.177 -11.659 -2.062 393 HZ PHE 52 HZ PHE 52 22.164 -13.879 -2.467 394 H ALA 53 H ALA 53 20.186 -10.280 -9.959 395 HA ALA 53 HA ALA 53 17.943 -8.433 -9.453 396 HB1 ALA 53 1HB ALA 53 20.452 -7.660 -10.015 397 HB2 ALA 53 2HB ALA 53 19.810 -7.810 -11.652 398 HB3 ALA 53 3HB ALA 53 19.023 -6.742 -10.490 399 H ARG 54 H ARG 54 16.781 -7.780 -11.495 400 HA ARG 54 HA ARG 54 16.814 -9.713 -13.649 401 HB2 ARG 54 2HB ARG 54 14.793 -9.748 -11.509 402 HB3 ARG 54 3HB ARG 54 14.134 -9.751 -13.139 403 HG2 ARG 54 2HG ARG 54 16.282 -11.675 -12.335 404 HG3 ARG 54 3HG ARG 54 14.581 -12.000 -11.998 405 HD2 ARG 54 2HD ARG 54 14.659 -12.969 -14.037 406 HD3 ARG 54 3HD ARG 54 14.405 -11.313 -14.586 407 HE ARG 54 HE ARG 54 16.473 -11.388 -15.533 408 HH11 ARG 54 1HH1 ARG 54 16.336 -13.775 -13.003 409 HH12 ARG 54 2HH1 ARG 54 17.916 -14.405 -13.333 410 HH21 ARG 54 1HH2 ARG 54 18.554 -12.209 -15.978 411 HH22 ARG 54 2HH2 ARG 54 19.177 -13.513 -15.025 412 H THR 55 H THR 55 17.072 -6.752 -13.067 413 HA THR 55 HA THR 55 16.414 -4.741 -13.933 414 HB THR 55 HB THR 55 15.657 -4.982 -16.430 415 HG1 THR 55 HG1 THR 55 16.477 -7.035 -17.259 416 HG21 THR 55 3HG2 THR 55 18.158 -4.904 -15.114 417 HG22 THR 55 1HG2 THR 55 17.773 -4.366 -16.748 418 HG23 THR 55 2HG2 THR 55 18.319 -6.019 -16.471 419 H ASP 56 H ASP 56 14.633 -4.362 -12.563 420 HA ASP 56 HA ASP 56 12.044 -4.570 -13.935 421 HB2 ASP 56 2HB ASP 56 12.753 -5.523 -11.195 422 HB3 ASP 56 3HB ASP 56 11.151 -4.838 -11.456 423 H GLU 57 H GLU 57 10.420 -3.043 -13.087 424 HA GLU 57 HA GLU 57 11.696 -0.611 -12.018 425 HB2 GLU 57 2HB GLU 57 10.288 0.736 -13.390 426 HB3 GLU 57 3HB GLU 57 10.993 -0.493 -14.431 427 HG2 GLU 57 2HG GLU 57 8.857 -1.810 -14.077 428 HG3 GLU 57 3HG GLU 57 8.190 -0.337 -13.377 429 H ILE 58 H ILE 58 9.482 0.924 -11.572 430 HA ILE 58 HA ILE 58 8.105 -0.589 -9.455 431 HB ILE 58 HB ILE 58 7.599 1.950 -8.757 432 HG12 ILE 58 2HG1 ILE 58 9.730 3.242 -9.061 433 HG13 ILE 58 3HG1 ILE 58 10.255 2.009 -10.202 434 HG21 ILE 58 1HG2 ILE 58 9.148 1.664 -7.034 435 HG22 ILE 58 2HG2 ILE 58 8.746 0.018 -7.522 436 HG23 ILE 58 3HG2 ILE 58 10.257 0.751 -8.057 437 HD11 ILE 58 3HD1 ILE 58 8.805 2.692 -11.818 438 HD12 ILE 58 1HD1 ILE 58 7.635 3.326 -10.660 439 HD13 ILE 58 2HD1 ILE 58 9.111 4.228 -11.007 440 H MET 59 H MET 59 5.945 -0.764 -9.476 441 HA MET 59 HA MET 59 4.490 0.114 -11.779 442 HB2 MET 59 2HB MET 59 3.777 -1.400 -9.287 443 HB3 MET 59 3HB MET 59 2.519 -0.840 -10.380 444 HG2 MET 59 2HG MET 59 4.823 -2.594 -11.194 445 HG3 MET 59 3HG MET 59 3.220 -3.181 -10.760 446 HE1 MET 59 3HE MET 59 1.215 -3.142 -13.630 447 HE2 MET 59 1HE MET 59 2.572 -4.269 -13.617 448 HE3 MET 59 2HE MET 59 1.779 -3.827 -12.105 449 HA PRO 60 HA PRO 60 2.723 3.885 -10.402 450 HB2 PRO 60 2HB PRO 60 0.161 3.705 -11.282 451 HB3 PRO 60 3HB PRO 60 1.535 3.946 -12.368 452 HG2 PRO 60 2HG PRO 60 0.061 1.425 -11.707 453 HG3 PRO 60 3HG PRO 60 0.629 2.009 -13.282 454 HD2 PRO 60 2HD PRO 60 1.961 0.130 -11.858 455 HD3 PRO 60 3HD PRO 60 2.789 1.298 -12.907 456 H GLU 61 H GLU 61 1.352 0.903 -9.324 457 HA GLU 61 HA GLU 61 -0.425 2.158 -7.406 458 HB2 GLU 61 2HB GLU 61 -1.246 0.023 -6.946 459 HB3 GLU 61 3HB GLU 61 -0.834 -0.064 -8.653 460 HG2 GLU 61 2HG GLU 61 1.475 -0.913 -7.624 461 HG3 GLU 61 3HG GLU 61 0.389 -1.419 -6.332 462 H ASP 62 H ASP 62 2.825 1.171 -7.557 463 HA ASP 62 HA ASP 62 3.035 1.314 -4.620 464 HB2 ASP 62 2HB ASP 62 5.121 -0.064 -6.265 465 HB3 ASP 62 3HB ASP 62 4.661 -0.337 -4.587 466 H LYS 63 H LYS 63 5.811 1.469 -4.469 467 HA LYS 63 HA LYS 63 6.665 3.724 -6.085 468 HB2 LYS 63 2HB LYS 63 7.317 4.544 -3.484 469 HB3 LYS 63 3HB LYS 63 6.157 5.290 -4.576 470 HG2 LYS 63 2HG LYS 63 4.364 3.993 -3.649 471 HG3 LYS 63 3HG LYS 63 5.493 3.067 -2.658 472 HD2 LYS 63 2HD LYS 63 4.720 4.601 -1.128 473 HD3 LYS 63 3HD LYS 63 6.153 5.431 -1.741 474 HE2 LYS 63 2HE LYS 63 3.671 5.925 -3.241 475 HE3 LYS 63 3HE LYS 63 3.686 6.541 -1.589 476 HZ1 LYS 63 3HZ LYS 63 6.130 7.212 -2.698 477 HZ2 LYS 63 1HZ LYS 63 4.848 8.254 -2.334 478 HZ3 LYS 63 2HZ LYS 63 4.976 7.578 -3.879 479 H THR 64 H THR 64 8.918 4.496 -5.016 480 HA THR 64 HA THR 64 10.451 2.034 -4.485 481 HB THR 64 HB THR 64 10.845 4.106 -6.517 482 HG1 THR 64 HG1 THR 64 11.865 2.378 -7.520 483 HG21 THR 64 3HG2 THR 64 12.584 4.916 -5.095 484 HG22 THR 64 1HG2 THR 64 13.351 3.949 -6.355 485 HG23 THR 64 2HG2 THR 64 13.136 3.280 -4.737 486 H VAL 65 H VAL 65 11.529 2.020 -2.629 487 HA VAL 65 HA VAL 65 11.436 3.983 -0.704 488 HB VAL 65 HB VAL 65 13.864 2.242 -0.862 489 HG11 VAL 65 1HG1 VAL 65 13.847 3.483 1.098 490 HG12 VAL 65 2HG1 VAL 65 12.097 3.352 1.284 491 HG13 VAL 65 3HG1 VAL 65 13.125 1.954 1.600 492 HG21 VAL 65 3HG2 VAL 65 11.108 1.324 -1.011 493 HG22 VAL 65 1HG2 VAL 65 12.612 0.435 -1.251 494 HG23 VAL 65 2HG2 VAL 65 11.973 0.664 0.377 495 H GLY 66 H GLY 66 14.013 3.403 -3.083 496 HA2 GLY 66 2HA GLY 66 14.706 5.921 -3.721 497 HA3 GLY 66 3HA GLY 66 15.502 5.717 -2.168 498 H PHE 67 H PHE 67 17.415 6.156 -3.570 499 HA PHE 67 HA PHE 67 18.422 3.622 -4.679 500 HB2 PHE 67 2HB PHE 67 19.632 4.864 -6.396 501 HB3 PHE 67 3HB PHE 67 17.909 5.206 -6.501 502 HD1 PHE 67 HD1 PHE 67 21.191 6.552 -5.573 503 HD2 PHE 67 HD2 PHE 67 17.045 7.392 -6.049 504 HE1 PHE 67 HE1 PHE 67 21.667 8.962 -5.437 505 HE2 PHE 67 HE2 PHE 67 17.515 9.803 -5.914 506 HZ PHE 67 HZ PHE 67 19.828 10.591 -5.607 507 H VAL 68 H VAL 68 20.478 3.048 -4.135 508 HA VAL 68 HA VAL 68 21.906 4.864 -2.303 509 HB VAL 68 HB VAL 68 21.939 1.842 -2.304 510 HG11 VAL 68 1HG1 VAL 68 24.004 2.330 -1.456 511 HG12 VAL 68 2HG1 VAL 68 23.504 3.909 -0.846 512 HG13 VAL 68 3HG1 VAL 68 23.043 2.442 0.018 513 HG21 VAL 68 3HG2 VAL 68 20.974 2.505 0.106 514 HG22 VAL 68 1HG2 VAL 68 20.344 3.855 -0.839 515 HG23 VAL 68 2HG2 VAL 68 19.942 2.198 -1.291 516 H VAL 69 H VAL 69 23.927 5.428 -2.814 517 HA VAL 69 HA VAL 69 25.179 4.102 -5.123 518 HB VAL 69 HB VAL 69 25.828 6.828 -3.999 519 HG11 VAL 69 1HG1 VAL 69 27.563 5.529 -5.344 520 HG12 VAL 69 2HG1 VAL 69 26.491 5.761 -6.727 521 HG13 VAL 69 3HG1 VAL 69 27.172 7.158 -5.893 522 HG21 VAL 69 3HG2 VAL 69 24.678 7.316 -6.399 523 HG22 VAL 69 1HG2 VAL 69 23.733 5.929 -5.858 524 HG23 VAL 69 2HG2 VAL 69 23.820 7.381 -4.860 525 H VAL 70 H VAL 70 26.826 2.797 -4.713 526 HA VAL 70 HA VAL 70 28.520 3.353 -2.366 527 HB VAL 70 HB VAL 70 27.637 0.660 -3.408 528 HG11 VAL 70 1HG1 VAL 70 29.011 0.249 -1.049 529 HG12 VAL 70 2HG1 VAL 70 29.603 -0.099 -2.675 530 HG13 VAL 70 3HG1 VAL 70 29.996 1.437 -1.902 531 HG21 VAL 70 3HG2 VAL 70 26.141 2.104 -1.874 532 HG22 VAL 70 1HG2 VAL 70 26.415 0.415 -1.446 533 HG23 VAL 70 2HG2 VAL 70 27.304 1.691 -0.614 534 H ASN 71 H ASN 71 30.479 3.942 -3.005 535 HA ASN 71 HA ASN 71 31.637 2.629 -5.376 536 HB2 ASN 71 2HB ASN 71 32.244 5.441 -4.447 537 HB3 ASN 71 3HB ASN 71 32.782 4.672 -5.938 538 HD21 ASN 71 1HD2 ASN 71 30.418 6.563 -4.472 539 HD22 ASN 71 2HD2 ASN 71 29.274 6.584 -5.767 540 H ALA 72 H ALA 72 33.085 1.205 -4.656 541 HA ALA 72 HA ALA 72 34.466 1.479 -2.176 542 HB1 ALA 72 1HB ALA 72 33.860 -0.697 -3.235 543 HB2 ALA 72 2HB ALA 72 35.121 -0.406 -4.434 544 HB3 ALA 72 3HB ALA 72 35.547 -0.580 -2.731 545 H ASP 73 H ASP 73 35.144 2.371 -5.463 546 HA ASP 73 HA ASP 73 37.934 2.559 -5.373 547 HB2 ASP 73 2HB ASP 73 37.586 3.158 -7.497 548 HB3 ASP 73 3HB ASP 73 35.859 3.283 -7.173 549 H LYS 74 H LYS 74 35.430 4.864 -4.425 550 HA LYS 74 HA LYS 74 37.473 6.754 -3.524 551 HB2 LYS 74 2HB LYS 74 35.391 7.424 -4.875 552 HB3 LYS 74 3HB LYS 74 34.494 7.168 -3.384 553 HG2 LYS 74 2HG LYS 74 35.436 8.981 -2.341 554 HG3 LYS 74 3HG LYS 74 36.886 8.941 -3.346 555 HD2 LYS 74 2HD LYS 74 35.840 10.004 -5.122 556 HD3 LYS 74 3HD LYS 74 34.225 9.549 -4.573 557 HE2 LYS 74 2HE LYS 74 35.109 11.060 -2.487 558 HE3 LYS 74 3HE LYS 74 35.890 11.856 -3.853 559 HZ1 LYS 74 3HZ LYS 74 33.913 12.514 -4.720 560 HZ2 LYS 74 1HZ LYS 74 33.464 12.478 -3.089 561 HZ3 LYS 74 2HZ LYS 74 33.054 11.191 -4.108 562 H LYS 75 H LYS 75 35.436 4.307 -2.325 563 HA LYS 75 HA LYS 75 35.200 3.435 -0.230 564 HB2 LYS 75 2HB LYS 75 36.911 5.646 0.880 565 HB3 LYS 75 3HB LYS 75 36.700 4.011 1.492 566 HG2 LYS 75 2HG LYS 75 37.778 3.331 -0.788 567 HG3 LYS 75 3HG LYS 75 38.383 4.989 -0.762 568 HD2 LYS 75 2HD LYS 75 40.081 3.776 0.273 569 HD3 LYS 75 3HD LYS 75 39.165 4.437 1.630 570 HE2 LYS 75 2HE LYS 75 39.411 2.244 2.280 571 HE3 LYS 75 3HE LYS 75 37.851 2.185 1.459 572 HZ1 LYS 75 3HZ LYS 75 38.895 1.308 -0.489 573 HZ2 LYS 75 1HZ LYS 75 39.371 0.364 0.832 574 HZ3 LYS 75 2HZ LYS 75 40.439 1.500 0.176 575 H LEU 76 H LEU 76 33.253 5.107 -1.205 576 HA LEU 76 HA LEU 76 32.198 6.231 1.278 577 HB2 LEU 76 2HB LEU 76 31.251 8.108 -0.300 578 HB3 LEU 76 3HB LEU 76 32.838 8.252 0.454 579 HG LEU 76 HG LEU 76 33.892 7.537 -1.640 580 HD11 LEU 76 1HD1 LEU 76 32.419 7.522 -3.694 581 HD12 LEU 76 2HD1 LEU 76 31.047 7.380 -2.596 582 HD13 LEU 76 3HD1 LEU 76 32.284 6.124 -2.627 583 HD21 LEU 76 3HD2 LEU 76 33.854 9.831 -1.541 584 HD22 LEU 76 1HD2 LEU 76 32.092 9.912 -1.552 585 HD23 LEU 76 2HD2 LEU 76 32.967 9.549 -3.040 586 H MET 77 H MET 77 29.933 6.267 1.406 587 HA MET 77 HA MET 77 28.427 5.162 -0.838 588 HB2 MET 77 2HB MET 77 28.143 3.975 1.917 589 HB3 MET 77 3HB MET 77 27.459 3.385 0.409 590 HG2 MET 77 2HG MET 77 29.535 2.606 -0.355 591 HG3 MET 77 3HG MET 77 30.417 3.521 0.865 592 HE1 MET 77 3HE MET 77 29.503 3.383 3.243 593 HE2 MET 77 1HE MET 77 28.826 1.945 4.007 594 HE3 MET 77 2HE MET 77 30.571 2.095 3.802 595 H SER 78 H SER 78 26.556 6.196 -1.094 596 HA SER 78 HA SER 78 25.433 7.641 1.217 597 HB2 SER 78 2HB SER 78 25.480 8.533 -1.676 598 HB3 SER 78 3HB SER 78 24.665 9.384 -0.364 599 HG SER 78 HG SER 78 26.611 9.861 0.541 600 H VAL 79 H VAL 79 23.297 7.414 1.604 601 HA VAL 79 HA VAL 79 21.753 5.780 -0.305 602 HB VAL 79 HB VAL 79 21.457 5.887 2.701 603 HG11 VAL 79 1HG1 VAL 79 19.669 5.030 0.613 604 HG12 VAL 79 2HG1 VAL 79 20.104 3.677 1.659 605 HG13 VAL 79 3HG1 VAL 79 19.394 5.136 2.351 606 HG21 VAL 79 3HG2 VAL 79 22.888 4.188 2.841 607 HG22 VAL 79 1HG2 VAL 79 22.039 3.298 1.578 608 HG23 VAL 79 2HG2 VAL 79 23.290 4.463 1.146 609 H SER 80 H SER 80 20.149 6.832 -1.252 610 HA SER 80 HA SER 80 18.917 9.101 0.169 611 HB2 SER 80 2HB SER 80 20.238 9.465 -2.053 612 HB3 SER 80 3HB SER 80 18.800 8.788 -2.816 613 HG SER 80 HG SER 80 19.143 11.257 -2.122 614 H PHE 81 H PHE 81 16.896 8.790 0.795 615 HA PHE 81 HA PHE 81 15.148 7.077 -0.830 616 HB2 PHE 81 2HB PHE 81 14.139 6.436 1.515 617 HB3 PHE 81 3HB PHE 81 15.538 5.576 0.881 618 HD1 PHE 81 HD2 PHE 81 14.730 8.561 2.966 619 HD2 PHE 81 HD1 PHE 81 17.351 5.283 2.257 620 HE1 PHE 81 HE2 PHE 81 16.000 9.143 4.990 621 HE2 PHE 81 HE1 PHE 81 18.625 5.859 4.281 622 HZ PHE 81 HZ PHE 81 17.951 7.792 5.650 623 H SER 82 H SER 82 12.978 7.649 -0.869 624 HA SER 82 HA SER 82 12.359 10.267 0.334 625 HB2 SER 82 2HB SER 82 11.601 9.082 -2.327 626 HB3 SER 82 3HB SER 82 10.658 10.388 -1.610 627 HG SER 82 HG SER 82 13.437 10.451 -2.193 628 H ASP 83 H ASP 83 10.249 10.616 1.123 629 HA ASP 83 HA ASP 83 8.693 9.828 2.678 630 HB2 ASP 83 2HB ASP 83 7.757 8.835 -0.021 631 HB3 ASP 83 3HB ASP 83 6.730 8.941 1.406 632 H ILE 84 H ILE 84 10.040 8.314 3.831 633 HA ILE 84 HA ILE 84 9.232 5.528 3.333 634 HB ILE 84 HB ILE 84 11.409 4.722 4.009 635 HG12 ILE 84 2HG1 ILE 84 12.928 7.164 3.890 636 HG13 ILE 84 3HG1 ILE 84 11.682 7.301 5.126 637 HG21 ILE 84 1HG2 ILE 84 10.884 5.525 1.611 638 HG22 ILE 84 2HG2 ILE 84 12.006 6.834 1.974 639 HG23 ILE 84 3HG2 ILE 84 12.555 5.160 2.038 640 HD11 ILE 84 3HD1 ILE 84 12.688 4.830 5.637 641 HD12 ILE 84 1HD1 ILE 84 14.120 5.694 5.076 642 HD13 ILE 84 2HD1 ILE 84 13.191 6.317 6.440 643 H ASP 85 H ASP 85 8.900 4.244 5.150 644 HA ASP 85 HA ASP 85 8.201 5.697 7.542 645 HB2 ASP 85 2HB ASP 85 7.906 2.833 6.664 646 HB3 ASP 85 3HB ASP 85 7.562 3.320 8.321 647 H GLU 86 H GLU 86 8.880 4.974 9.696 648 HA GLU 86 HA GLU 86 11.703 4.883 9.904 649 HB2 GLU 86 2HB GLU 86 11.340 4.737 12.309 650 HB3 GLU 86 3HB GLU 86 10.277 5.944 11.601 651 HG2 GLU 86 2HG GLU 86 8.616 3.884 11.509 652 HG3 GLU 86 3HG GLU 86 9.629 3.336 12.843 653 H ASN 87 H ASN 87 9.239 2.444 9.821 654 HA ASN 87 HA ASN 87 10.582 0.326 11.064 655 HB2 ASN 87 2HB ASN 87 8.497 0.385 8.883 656 HB3 ASN 87 3HB ASN 87 9.103 -1.119 9.569 657 HD21 ASN 87 1HD2 ASN 87 6.419 -0.039 9.625 658 HD22 ASN 87 2HD2 ASN 87 5.992 0.123 11.291 659 H MET 88 H MET 88 10.484 1.270 7.635 660 HA MET 88 HA MET 88 12.367 -0.756 6.866 661 HB2 MET 88 2HB MET 88 12.300 0.355 4.658 662 HB3 MET 88 3HB MET 88 10.696 -0.021 5.272 663 HG2 MET 88 2HG MET 88 10.636 2.378 6.116 664 HG3 MET 88 3HG MET 88 12.047 2.647 5.096 665 HE1 MET 88 3HE MET 88 10.689 1.545 1.628 666 HE2 MET 88 1HE MET 88 11.867 1.048 2.843 667 HE3 MET 88 2HE MET 88 10.330 0.195 2.706 668 H LYS 89 H LYS 89 12.494 2.644 7.700 669 HA LYS 89 HA LYS 89 14.963 3.381 6.718 670 HB2 LYS 89 2HB LYS 89 13.253 4.794 7.987 671 HB3 LYS 89 3HB LYS 89 13.993 4.179 9.459 672 HG2 LYS 89 2HG LYS 89 16.199 5.047 8.439 673 HG3 LYS 89 3HG LYS 89 15.149 5.993 7.382 674 HD2 LYS 89 2HD LYS 89 14.661 6.038 10.324 675 HD3 LYS 89 3HD LYS 89 16.004 6.975 9.666 676 HE2 LYS 89 2HE LYS 89 13.218 7.170 8.555 677 HE3 LYS 89 3HE LYS 89 13.755 8.157 9.913 678 HZ1 LYS 89 3HZ LYS 89 14.892 9.490 8.564 679 HZ2 LYS 89 1HZ LYS 89 14.057 8.768 7.282 680 HZ3 LYS 89 2HZ LYS 89 15.591 8.204 7.715 681 H LYS 90 H LYS 90 14.204 1.533 9.623 682 HA LYS 90 HA LYS 90 16.739 1.507 10.797 683 HB2 LYS 90 2HB LYS 90 15.966 -0.265 12.137 684 HB3 LYS 90 3HB LYS 90 14.523 0.664 11.755 685 HG2 LYS 90 2HG LYS 90 13.707 -1.396 11.324 686 HG3 LYS 90 3HG LYS 90 14.426 -1.081 9.744 687 HD2 LYS 90 2HD LYS 90 15.229 -3.196 10.242 688 HD3 LYS 90 3HD LYS 90 16.550 -2.156 10.780 689 HE2 LYS 90 2HE LYS 90 16.043 -2.462 13.025 690 HE3 LYS 90 3HE LYS 90 14.386 -2.958 12.685 691 HZ1 LYS 90 3HZ LYS 90 16.758 -4.572 11.935 692 HZ2 LYS 90 1HZ LYS 90 15.135 -5.050 11.899 693 HZ3 LYS 90 2HZ LYS 90 15.906 -4.785 13.381 694 H VAL 91 H VAL 91 15.357 -0.493 8.250 695 HA VAL 91 HA VAL 91 17.530 -2.339 8.141 696 HB VAL 91 HB VAL 91 16.376 -3.415 6.513 697 HG11 VAL 91 1HG1 VAL 91 14.784 -2.734 8.388 698 HG12 VAL 91 2HG1 VAL 91 14.113 -1.577 7.236 699 HG13 VAL 91 3HG1 VAL 91 14.062 -3.305 6.884 700 HG21 VAL 91 3HG2 VAL 91 15.042 -2.215 4.747 701 HG22 VAL 91 1HG2 VAL 91 15.666 -0.705 5.411 702 HG23 VAL 91 2HG2 VAL 91 16.776 -1.894 4.730 703 H ILE 92 H ILE 92 16.720 0.646 6.459 704 HA ILE 92 HA ILE 92 18.760 0.479 4.497 705 HB ILE 92 HB ILE 92 17.651 3.075 5.526 706 HG12 ILE 92 2HG1 ILE 92 16.290 0.989 3.831 707 HG13 ILE 92 3HG1 ILE 92 15.677 1.794 5.271 708 HG21 ILE 92 1HG2 ILE 92 18.013 2.485 2.652 709 HG22 ILE 92 2HG2 ILE 92 18.325 3.966 3.556 710 HG23 ILE 92 3HG2 ILE 92 19.476 2.631 3.625 711 HD11 ILE 92 3HD1 ILE 92 16.002 2.930 2.513 712 HD12 ILE 92 1HD1 ILE 92 14.517 2.707 3.437 713 HD13 ILE 92 2HD1 ILE 92 15.690 3.927 3.935 714 H LYS 93 H LYS 93 18.560 2.170 7.616 715 HA LYS 93 HA LYS 93 21.135 3.323 7.495 716 HB2 LYS 93 2HB LYS 93 19.111 2.849 9.632 717 HB3 LYS 93 3HB LYS 93 20.753 3.242 10.127 718 HG2 LYS 93 2HG LYS 93 19.380 4.944 8.099 719 HG3 LYS 93 3HG LYS 93 18.992 5.128 9.811 720 HD2 LYS 93 2HD LYS 93 21.576 5.238 10.107 721 HD3 LYS 93 3HD LYS 93 21.576 5.627 8.385 722 HE2 LYS 93 2HE LYS 93 20.340 7.591 8.717 723 HE3 LYS 93 3HE LYS 93 19.830 7.102 10.332 724 HZ1 LYS 93 3HZ LYS 93 21.613 8.846 10.222 725 HZ2 LYS 93 1HZ LYS 93 22.660 7.648 9.646 726 HZ3 LYS 93 2HZ LYS 93 21.974 7.502 11.184 727 H ALA 94 H ALA 94 19.935 0.300 8.888 728 HA ALA 94 HA ALA 94 22.339 -0.500 10.118 729 HB1 ALA 94 1HB ALA 94 21.327 -2.803 9.994 730 HB2 ALA 94 2HB ALA 94 20.335 -1.576 10.782 731 HB3 ALA 94 3HB ALA 94 19.973 -2.074 9.130 732 H THR 95 H THR 95 21.098 -0.904 6.852 733 HA THR 95 HA THR 95 23.064 -2.763 5.988 734 HB THR 95 HB THR 95 21.248 -0.900 4.459 735 HG1 THR 95 HG1 THR 95 20.586 -2.965 5.658 736 HG21 THR 95 3HG2 THR 95 22.087 -2.852 2.694 737 HG22 THR 95 1HG2 THR 95 23.569 -2.398 3.534 738 HG23 THR 95 2HG2 THR 95 22.613 -1.169 2.704 739 H ALA 96 H ALA 96 22.757 0.761 5.645 740 HA ALA 96 HA ALA 96 25.177 1.104 4.210 741 HB1 ALA 96 1HB ALA 96 23.176 2.707 4.422 742 HB2 ALA 96 2HB ALA 96 23.951 3.243 5.913 743 HB3 ALA 96 3HB ALA 96 24.799 3.395 4.375 744 H GLU 97 H GLU 97 24.345 1.440 7.646 745 HA GLU 97 HA GLU 97 26.913 2.277 8.485 746 HB2 GLU 97 2HB GLU 97 26.125 2.037 10.686 747 HB3 GLU 97 3HB GLU 97 24.698 2.459 9.751 748 HG2 GLU 97 2HG GLU 97 23.872 0.757 11.016 749 HG3 GLU 97 3HG GLU 97 24.410 -0.139 9.596 750 H LYS 98 H LYS 98 25.449 -0.867 8.004 751 HA LYS 98 HA LYS 98 27.249 -2.473 9.397 752 HB2 LYS 98 2HB LYS 98 25.245 -3.445 8.536 753 HB3 LYS 98 3HB LYS 98 25.656 -2.989 6.887 754 HG2 LYS 98 2HG LYS 98 26.009 -5.340 7.155 755 HG3 LYS 98 3HG LYS 98 27.577 -4.547 6.982 756 HD2 LYS 98 2HD LYS 98 28.050 -5.883 8.765 757 HD3 LYS 98 3HD LYS 98 27.405 -4.488 9.633 758 HE2 LYS 98 2HE LYS 98 26.343 -6.369 10.575 759 HE3 LYS 98 3HE LYS 98 25.147 -5.634 9.508 760 HZ1 LYS 98 3HZ LYS 98 26.779 -8.054 8.987 761 HZ2 LYS 98 1HZ LYS 98 25.865 -7.277 7.793 762 HZ3 LYS 98 2HZ LYS 98 25.097 -7.957 9.138 763 H PHE 99 H PHE 99 27.467 -1.062 6.178 764 HA PHE 99 HA PHE 99 29.725 -2.465 5.277 765 HB2 PHE 99 2HB PHE 99 28.372 0.080 4.537 766 HB3 PHE 99 3HB PHE 99 30.016 -0.159 3.955 767 HD1 PHE 99 HD1 PHE 99 30.436 -2.550 2.884 768 HD2 PHE 99 HD2 PHE 99 26.647 -0.640 3.213 769 HE1 PHE 99 HE1 PHE 99 29.582 -3.934 1.037 770 HE2 PHE 99 HE2 PHE 99 25.786 -2.021 1.368 771 HZ PHE 99 HZ PHE 99 27.254 -3.672 0.278 772 H LYS 100 H LYS 100 29.383 0.333 7.346 773 HA LYS 100 HA LYS 100 32.020 1.283 7.263 774 HB2 LYS 100 2HB LYS 100 29.962 2.382 8.308 775 HB3 LYS 100 3HB LYS 100 30.261 1.363 9.709 776 HG2 LYS 100 2HG LYS 100 32.187 2.478 10.282 777 HG3 LYS 100 3HG LYS 100 32.465 3.061 8.639 778 HD2 LYS 100 2HD LYS 100 29.966 4.069 9.642 779 HD3 LYS 100 3HD LYS 100 31.270 4.442 10.771 780 HE2 LYS 100 2HE LYS 100 32.519 5.134 8.550 781 HE3 LYS 100 3HE LYS 100 30.870 5.329 7.957 782 HZ1 LYS 100 3HZ LYS 100 32.363 7.029 9.661 783 HZ2 LYS 100 1HZ LYS 100 30.939 6.543 10.434 784 HZ3 LYS 100 2HZ LYS 100 30.865 7.306 8.927 785 H ASN 101 H ASN 101 30.579 -1.407 8.940 786 HA ASN 101 HA ASN 101 32.557 -1.830 10.893 787 HB2 ASN 101 2HB ASN 101 30.729 -3.813 9.521 788 HB3 ASN 101 3HB ASN 101 31.686 -4.161 10.958 789 HD21 ASN 101 1HD2 ASN 101 29.218 -4.644 11.378 790 HD22 ASN 101 2HD2 ASN 101 28.398 -3.387 12.235 791 H LYS 102 H LYS 102 32.640 -2.205 7.517 792 HA LYS 102 HA LYS 102 34.880 -4.091 7.624 793 HB2 LYS 102 2HB LYS 102 32.887 -4.313 6.000 794 HB3 LYS 102 3HB LYS 102 33.639 -2.993 5.113 795 HG2 LYS 102 2HG LYS 102 34.319 -5.027 4.096 796 HG3 LYS 102 3HG LYS 102 35.711 -4.377 4.963 797 HD2 LYS 102 2HD LYS 102 34.614 -5.926 6.886 798 HD3 LYS 102 3HD LYS 102 34.151 -6.832 5.443 799 HE2 LYS 102 2HE LYS 102 36.398 -7.108 4.777 800 HE3 LYS 102 3HE LYS 102 36.966 -5.889 5.917 801 HZ1 LYS 102 3HZ LYS 102 36.594 -8.673 6.316 802 HZ2 LYS 102 1HZ LYS 102 35.682 -7.793 7.437 803 HZ3 LYS 102 2HZ LYS 102 37.350 -7.542 7.321 804 H GLY 103 H GLY 103 34.335 -0.803 7.629 805 HA2 GLY 103 2HA GLY 103 36.149 0.737 7.806 806 HA3 GLY 103 3HA GLY 103 37.101 -0.314 6.767 807 H PHE 104 H PHE 104 34.096 1.602 6.669 808 HA PHE 104 HA PHE 104 34.998 2.903 4.245 809 HB2 PHE 104 2HB PHE 104 32.553 1.128 4.289 810 HB3 PHE 104 3HB PHE 104 32.856 2.333 3.041 811 HD1 PHE 104 HD1 PHE 104 34.632 2.024 1.417 812 HD2 PHE 104 HD2 PHE 104 33.832 -0.907 4.397 813 HE1 PHE 104 HE1 PHE 104 35.976 0.388 0.164 814 HE2 PHE 104 HE2 PHE 104 35.176 -2.548 3.150 815 HZ PHE 104 HZ PHE 104 36.250 -1.902 1.030 816 H LYS 105 H LYS 105 33.389 4.579 3.521 817 HA LYS 105 HA LYS 105 32.230 5.845 5.897 818 HB2 LYS 105 2HB LYS 105 33.865 7.163 4.631 819 HB3 LYS 105 3HB LYS 105 32.885 7.000 3.180 820 HG2 LYS 105 2HG LYS 105 32.405 9.136 3.984 821 HG3 LYS 105 3HG LYS 105 31.035 8.151 4.501 822 HD2 LYS 105 2HD LYS 105 31.552 9.377 6.408 823 HD3 LYS 105 3HD LYS 105 32.377 7.841 6.687 824 HE2 LYS 105 2HE LYS 105 34.052 9.310 7.216 825 HE3 LYS 105 3HE LYS 105 34.372 9.074 5.499 826 HZ1 LYS 105 3HZ LYS 105 32.854 11.336 6.682 827 HZ2 LYS 105 1HZ LYS 105 33.151 11.108 5.032 828 HZ3 LYS 105 2HZ LYS 105 34.436 11.410 6.089 829 H VAL 106 H VAL 106 30.101 5.987 6.170 830 HA VAL 106 HA VAL 106 28.357 5.578 3.829 831 HB VAL 106 HB VAL 106 27.697 3.682 4.822 832 HG11 VAL 106 1HG1 VAL 106 28.838 4.735 7.408 833 HG12 VAL 106 2HG1 VAL 106 28.169 3.117 7.184 834 HG13 VAL 106 3HG1 VAL 106 29.609 3.608 6.292 835 HG21 VAL 106 3HG2 VAL 106 25.819 5.248 5.276 836 HG22 VAL 106 1HG2 VAL 106 25.905 3.899 6.409 837 HG23 VAL 106 2HG2 VAL 106 26.471 5.497 6.896 838 H GLU 107 H GLU 107 26.828 7.072 3.511 839 HA GLU 107 HA GLU 107 26.144 8.874 5.735 840 HB2 GLU 107 2HB GLU 107 27.647 10.125 4.355 841 HB3 GLU 107 3HB GLU 107 26.817 9.620 2.890 842 HG2 GLU 107 2HG GLU 107 26.263 11.903 3.395 843 HG3 GLU 107 3HG GLU 107 24.836 10.889 3.596 844 H THR 108 H THR 108 24.038 9.674 5.762 845 HA THR 108 HA THR 108 22.184 8.370 3.876 846 HB THR 108 HB THR 108 20.544 8.769 5.930 847 HG1 THR 108 HG1 THR 108 21.749 9.486 7.546 848 HG21 THR 108 3HG2 THR 108 21.403 6.606 4.743 849 HG22 THR 108 1HG2 THR 108 20.641 6.492 6.329 850 HG23 THR 108 2HG2 THR 108 22.399 6.437 6.188 851 H ASP 109 H ASP 109 20.765 9.631 2.828 852 HA ASP 109 HA ASP 109 20.396 12.397 3.761 853 HB2 ASP 109 2HB ASP 109 21.920 11.802 1.589 854 HB3 ASP 109 3HB ASP 109 20.339 11.994 0.838 855 H MET 110 H MET 110 18.369 13.271 3.484 856 HA MET 110 HA MET 110 16.321 11.478 2.356 857 HB2 MET 110 2HB MET 110 14.786 12.124 4.093 858 HB3 MET 110 3HB MET 110 16.271 11.558 4.847 859 HG2 MET 110 2HG MET 110 16.972 13.923 5.111 860 HG3 MET 110 3HG MET 110 15.396 14.413 4.494 861 HE1 MET 110 3HE MET 110 16.667 13.191 8.571 862 HE2 MET 110 1HE MET 110 16.479 11.709 7.632 863 HE3 MET 110 2HE MET 110 17.537 12.994 7.048 Start of MODEL 9 1 H1 MET 1 H MET 1 1.002 0.003 0.872 2 HA MET 1 HA MET 1 1.597 -0.364 -1.741 3 HB2 MET 1 2HB MET 1 1.609 1.788 -0.199 4 HB3 MET 1 3HB MET 1 3.349 1.535 -0.247 5 HG2 MET 1 2HG MET 1 2.992 1.406 -2.816 6 HG3 MET 1 3HG MET 1 1.476 2.231 -2.460 7 HE1 MET 1 3HE MET 1 4.763 2.852 -0.284 8 HE2 MET 1 1HE MET 1 5.298 2.257 -1.856 9 HE3 MET 1 2HE MET 1 5.627 3.925 -1.386 10 H THR 2 H THR 2 3.607 -0.420 -2.955 11 HA THR 2 HA THR 2 5.591 -2.152 -1.648 12 HB THR 2 HB THR 2 4.940 -1.792 -4.578 13 HG1 THR 2 HG1 THR 2 3.505 -3.119 -3.302 14 HG21 THR 2 3HG2 THR 2 7.339 -2.766 -3.288 15 HG22 THR 2 1HG2 THR 2 7.022 -2.483 -4.998 16 HG23 THR 2 2HG2 THR 2 6.579 -4.023 -4.262 17 H LEU 3 H LEU 3 7.642 -1.503 -1.400 18 HA LEU 3 HA LEU 3 8.461 1.000 -2.723 19 HB2 LEU 3 2HB LEU 3 8.310 0.380 0.022 20 HB3 LEU 3 3HB LEU 3 10.022 0.439 -0.389 21 HG LEU 3 HG LEU 3 10.000 2.685 -0.755 22 HD11 LEU 3 1HD1 LEU 3 8.601 3.046 -2.525 23 HD12 LEU 3 2HD1 LEU 3 7.686 3.837 -1.242 24 HD13 LEU 3 3HD1 LEU 3 7.243 2.214 -1.768 25 HD21 LEU 3 3HD2 LEU 3 9.316 3.435 1.223 26 HD22 LEU 3 1HD2 LEU 3 8.566 1.860 1.483 27 HD23 LEU 3 2HD2 LEU 3 7.621 3.186 0.803 28 H CYS 4 H CYS 4 10.246 0.942 -3.935 29 HA CYS 4 HA CYS 4 11.992 -1.420 -3.709 30 HB2 CYS 4 2HB CYS 4 11.226 -1.822 -5.806 31 HB3 CYS 4 3HB CYS 4 10.714 -0.156 -6.047 32 HG CYS 4 HG CYS 4 13.596 -1.653 -6.892 33 H ALA 5 H ALA 5 14.224 -1.118 -4.063 34 HA ALA 5 HA ALA 5 15.160 1.665 -4.123 35 HB1 ALA 5 1HB ALA 5 15.778 1.580 -1.994 36 HB2 ALA 5 2HB ALA 5 15.292 -0.111 -1.874 37 HB3 ALA 5 3HB ALA 5 16.918 0.302 -2.418 38 H MET 6 H MET 6 17.054 2.005 -5.209 39 HA MET 6 HA MET 6 18.282 -0.367 -6.454 40 HB2 MET 6 2HB MET 6 17.045 1.176 -8.000 41 HB3 MET 6 3HB MET 6 18.205 2.432 -7.587 42 HG2 MET 6 2HG MET 6 20.006 0.865 -8.396 43 HG3 MET 6 3HG MET 6 18.713 -0.147 -9.035 44 HE1 MET 6 3HE MET 6 16.788 0.991 -10.768 45 HE2 MET 6 1HE MET 6 17.677 1.417 -12.231 46 HE3 MET 6 2HE MET 6 18.081 -0.058 -11.352 47 H TYR 7 H TYR 7 20.317 -0.759 -5.906 48 HA TYR 7 HA TYR 7 21.973 1.484 -4.951 49 HB2 TYR 7 2HB TYR 7 22.876 0.181 -3.238 50 HB3 TYR 7 3HB TYR 7 21.179 -0.286 -3.230 51 HD1 TYR 7 HD1 TYR 7 20.495 -2.472 -4.177 52 HD2 TYR 7 HD2 TYR 7 24.591 -1.387 -3.794 53 HE1 TYR 7 HE1 TYR 7 21.139 -4.830 -4.448 54 HE2 TYR 7 HE2 TYR 7 25.247 -3.742 -4.065 55 HH TYR 7 HH TYR 7 24.164 -5.835 -5.194 56 H ASN 8 H ASN 8 24.146 1.495 -5.530 57 HA ASN 8 HA ASN 8 24.936 -0.486 -7.562 58 HB2 ASN 8 2HB ASN 8 25.869 1.178 -8.938 59 HB3 ASN 8 3HB ASN 8 24.332 1.863 -8.418 60 HD21 ASN 8 1HD2 ASN 8 27.796 1.948 -7.995 61 HD22 ASN 8 2HD2 ASN 8 27.862 3.506 -7.252 62 H ILE 9 H ILE 9 26.950 -1.327 -7.399 63 HA ILE 9 HA ILE 9 28.631 -0.330 -5.193 64 HB ILE 9 HB ILE 9 29.607 -2.708 -5.272 65 HG12 ILE 9 2HG1 ILE 9 28.183 -3.084 -7.465 66 HG13 ILE 9 3HG1 ILE 9 28.464 -4.404 -6.336 67 HG21 ILE 9 1HG2 ILE 9 26.872 -2.035 -4.231 68 HG22 ILE 9 2HG2 ILE 9 27.663 -3.569 -3.875 69 HG23 ILE 9 3HG2 ILE 9 28.406 -2.055 -3.361 70 HD11 ILE 9 3HD1 ILE 9 26.044 -2.720 -5.977 71 HD12 ILE 9 1HD1 ILE 9 26.075 -3.902 -7.285 72 HD13 ILE 9 2HD1 ILE 9 26.300 -4.427 -5.616 73 H SER 10 H SER 10 30.655 0.289 -5.635 74 HA SER 10 HA SER 10 31.687 -0.240 -8.344 75 HB2 SER 10 2HB SER 10 31.133 2.188 -7.533 76 HB3 SER 10 3HB SER 10 32.657 2.046 -6.659 77 HG SER 10 HG SER 10 33.350 2.765 -8.548 78 H MET 11 H MET 11 33.453 -1.447 -8.487 79 HA MET 11 HA MET 11 34.903 -2.147 -6.066 80 HB2 MET 11 2HB MET 11 35.950 -3.875 -7.405 81 HB3 MET 11 3HB MET 11 34.210 -3.909 -7.655 82 HG2 MET 11 2HG MET 11 35.686 -2.244 -9.559 83 HG3 MET 11 3HG MET 11 36.065 -3.963 -9.627 84 HE1 MET 11 3HE MET 11 34.186 -3.314 -12.609 85 HE2 MET 11 1HE MET 11 33.405 -1.882 -11.937 86 HE3 MET 11 2HE MET 11 35.131 -2.144 -11.686 87 H ALA 12 H ALA 12 35.114 0.254 -8.306 88 HA ALA 12 HA ALA 12 37.583 1.219 -7.439 89 HB1 ALA 12 1HB ALA 12 39.158 0.365 -8.767 90 HB2 ALA 12 2HB ALA 12 37.982 -0.888 -9.165 91 HB3 ALA 12 3HB ALA 12 38.152 0.526 -10.206 92 H GLY 13 H GLY 13 38.498 2.585 -9.682 93 HA2 GLY 13 2HA GLY 13 36.395 4.559 -9.954 94 HA3 GLY 13 3HA GLY 13 38.052 4.711 -10.521 95 H SER 14 H SER 14 35.632 2.214 -11.232 96 HA SER 14 HA SER 14 35.610 3.112 -14.030 97 HB2 SER 14 2HB SER 14 36.052 0.286 -13.048 98 HB3 SER 14 3HB SER 14 35.653 0.690 -14.717 99 HG SER 14 HG SER 14 37.735 0.904 -14.915 100 H HIS 15 H HIS 15 33.775 2.287 -15.270 101 HA HIS 15 HA HIS 15 31.336 2.837 -14.343 102 HB2 HIS 15 2HB HIS 15 32.148 0.676 -16.275 103 HB3 HIS 15 3HB HIS 15 30.453 1.006 -15.929 104 HD1 HIS 15 HD1 HIS 15 30.332 1.648 -18.518 105 HD2 HIS 15 HD2 HIS 15 32.587 4.186 -16.123 106 HE1 HIS 15 HE1 HIS 15 30.630 3.753 -19.862 107 HA PRO 16 HA PRO 16 30.996 -0.146 -10.974 108 HB2 PRO 16 2HB PRO 16 28.925 1.129 -9.767 109 HB3 PRO 16 3HB PRO 16 30.608 1.636 -9.577 110 HG2 PRO 16 2HG PRO 16 28.484 2.748 -11.371 111 HG3 PRO 16 3HG PRO 16 29.677 3.610 -10.381 112 HD2 PRO 16 2HD PRO 16 29.987 3.243 -13.046 113 HD3 PRO 16 3HD PRO 16 31.362 3.308 -11.925 114 H THR 17 H THR 17 28.828 -1.077 -9.955 115 HA THR 17 HA THR 17 27.119 -1.885 -12.217 116 HB THR 17 HB THR 17 27.828 -3.482 -9.747 117 HG1 THR 17 HG1 THR 17 29.214 -4.540 -11.027 118 HG21 THR 17 3HG2 THR 17 26.663 -5.330 -10.957 119 HG22 THR 17 1HG2 THR 17 26.087 -4.140 -12.124 120 HG23 THR 17 2HG2 THR 17 25.592 -4.031 -10.435 121 H THR 18 H THR 18 25.012 -1.463 -12.081 122 HA THR 18 HA THR 18 23.956 -0.499 -9.512 123 HB THR 18 HB THR 18 22.454 -0.135 -12.068 124 HG1 THR 18 HG1 THR 18 24.132 0.882 -12.873 125 HG21 THR 18 3HG2 THR 18 21.623 1.814 -11.005 126 HG22 THR 18 1HG2 THR 18 22.891 1.777 -9.781 127 HG23 THR 18 2HG2 THR 18 21.622 0.552 -9.774 128 H ILE 19 H ILE 19 22.080 -1.323 -8.643 129 HA ILE 19 HA ILE 19 20.721 -3.492 -10.058 130 HB ILE 19 HB ILE 19 22.398 -3.824 -7.681 131 HG12 ILE 19 2HG1 ILE 19 21.177 -5.620 -9.775 132 HG13 ILE 19 3HG1 ILE 19 22.861 -5.134 -9.613 133 HG21 ILE 19 1HG2 ILE 19 20.282 -3.800 -6.525 134 HG22 ILE 19 2HG2 ILE 19 19.596 -4.933 -7.688 135 HG23 ILE 19 3HG2 ILE 19 20.884 -5.456 -6.604 136 HD11 ILE 19 3HD1 ILE 19 21.335 -6.984 -7.799 137 HD12 ILE 19 1HD1 ILE 19 22.615 -7.419 -8.932 138 HD13 ILE 19 2HD1 ILE 19 22.986 -6.433 -7.517 139 H CYS 20 H CYS 20 18.573 -3.686 -9.584 140 HA CYS 20 HA CYS 20 17.497 -1.850 -7.547 141 HB2 CYS 20 2HB CYS 20 15.470 -1.686 -9.078 142 HB3 CYS 20 3HB CYS 20 16.929 -0.870 -9.629 143 HG CYS 20 HG CYS 20 15.243 -3.397 -11.019 144 H VAL 21 H VAL 21 16.491 -2.881 -5.966 145 HA VAL 21 HA VAL 21 14.880 -5.247 -6.586 146 HB VAL 21 HB VAL 21 15.755 -6.344 -4.485 147 HG11 VAL 21 1HG1 VAL 21 18.042 -6.886 -5.700 148 HG12 VAL 21 2HG1 VAL 21 16.496 -7.445 -6.342 149 HG13 VAL 21 3HG1 VAL 21 17.267 -6.011 -7.021 150 HG21 VAL 21 3HG2 VAL 21 16.827 -4.182 -3.678 151 HG22 VAL 21 1HG2 VAL 21 17.784 -5.654 -3.513 152 HG23 VAL 21 2HG2 VAL 21 18.123 -4.524 -4.823 153 H VAL 22 H VAL 22 13.180 -5.640 -5.140 154 HA VAL 22 HA VAL 22 12.045 -3.345 -3.943 155 HB VAL 22 HB VAL 22 10.312 -4.863 -3.079 156 HG11 VAL 22 1HG1 VAL 22 11.116 -5.435 -5.930 157 HG12 VAL 22 2HG1 VAL 22 9.512 -5.692 -5.240 158 HG13 VAL 22 3HG1 VAL 22 10.165 -4.058 -5.375 159 HG21 VAL 22 3HG2 VAL 22 11.197 -6.854 -2.428 160 HG22 VAL 22 1HG2 VAL 22 10.674 -7.319 -4.047 161 HG23 VAL 22 2HG2 VAL 22 12.361 -6.896 -3.751 162 H MET 23 H MET 23 11.504 -3.004 -1.714 163 HA MET 23 HA MET 23 13.630 -3.164 0.048 164 HB2 MET 23 2HB MET 23 11.989 -2.608 1.821 165 HB3 MET 23 3HB MET 23 11.822 -1.595 0.393 166 HG2 MET 23 2HG MET 23 9.648 -2.061 0.609 167 HG3 MET 23 3HG MET 23 10.079 -3.568 -0.195 168 HE1 MET 23 3HE MET 23 7.456 -2.990 2.109 169 HE2 MET 23 1HE MET 23 7.713 -4.109 0.770 170 HE3 MET 23 2HE MET 23 7.446 -4.730 2.399 171 H ASP 24 H ASP 24 10.934 -5.387 -0.404 172 HA ASP 24 HA ASP 24 11.292 -7.004 1.835 173 HB2 ASP 24 2HB ASP 24 9.388 -7.074 0.156 174 HB3 ASP 24 3HB ASP 24 10.453 -8.018 -0.882 175 H ARG 25 H ARG 25 12.903 -7.057 -1.300 176 HA ARG 25 HA ARG 25 14.599 -9.270 -0.380 177 HB2 ARG 25 2HB ARG 25 13.914 -8.190 -3.096 178 HB3 ARG 25 3HB ARG 25 15.359 -9.164 -2.863 179 HG2 ARG 25 2HG ARG 25 13.906 -10.807 -3.429 180 HG3 ARG 25 3HG ARG 25 13.627 -10.785 -1.687 181 HD2 ARG 25 2HD ARG 25 11.733 -9.215 -2.079 182 HD3 ARG 25 3HD ARG 25 11.973 -9.431 -3.812 183 HE ARG 25 HE ARG 25 10.849 -11.405 -3.655 184 HH11 ARG 25 1HH1 ARG 25 12.065 -10.574 -0.501 185 HH12 ARG 25 2HH1 ARG 25 11.289 -11.904 0.292 186 HH21 ARG 25 1HH2 ARG 25 9.823 -13.161 -2.622 187 HH22 ARG 25 2HH2 ARG 25 10.015 -13.376 -0.915 188 H PHE 26 H PHE 26 14.573 -5.937 -0.620 189 HA PHE 26 HA PHE 26 17.216 -5.381 -1.433 190 HB2 PHE 26 2HB PHE 26 15.350 -3.710 -1.290 191 HB3 PHE 26 3HB PHE 26 15.519 -3.749 0.462 192 HD1 PHE 26 HD1 PHE 26 18.212 -3.808 -2.085 193 HD2 PHE 26 HD2 PHE 26 16.230 -1.584 0.955 194 HE1 PHE 26 HE1 PHE 26 19.955 -2.077 -2.220 195 HE2 PHE 26 HE2 PHE 26 17.969 0.151 0.824 196 HZ PHE 26 HZ PHE 26 19.835 -0.094 -0.765 197 H LEU 27 H LEU 27 15.775 -5.843 1.776 198 HA LEU 27 HA LEU 27 18.057 -5.323 3.302 199 HB2 LEU 27 2HB LEU 27 16.950 -6.738 5.035 200 HB3 LEU 27 3HB LEU 27 15.950 -5.442 4.381 201 HG LEU 27 HG LEU 27 15.239 -7.549 2.796 202 HD11 LEU 27 1HD1 LEU 27 14.963 -8.907 5.345 203 HD12 LEU 27 2HD1 LEU 27 16.646 -8.752 4.843 204 HD13 LEU 27 3HD1 LEU 27 15.477 -9.532 3.778 205 HD21 LEU 27 3HD2 LEU 27 13.176 -7.259 3.722 206 HD22 LEU 27 1HD2 LEU 27 13.964 -5.799 4.319 207 HD23 LEU 27 2HD2 LEU 27 13.799 -7.204 5.371 208 H GLU 28 H GLU 28 16.822 -8.411 2.039 209 HA GLU 28 HA GLU 28 18.968 -9.966 3.059 210 HB2 GLU 28 2HB GLU 28 16.835 -10.992 2.510 211 HB3 GLU 28 3HB GLU 28 17.013 -10.527 0.824 212 HG2 GLU 28 2HG GLU 28 18.885 -12.016 0.561 213 HG3 GLU 28 3HG GLU 28 18.853 -12.411 2.279 214 H SER 29 H SER 29 18.278 -8.606 -0.147 215 HA SER 29 HA SER 29 20.449 -9.642 -1.531 216 HB2 SER 29 2HB SER 29 20.138 -7.811 -3.111 217 HB3 SER 29 3HB SER 29 18.568 -8.414 -2.582 218 HG SER 29 HG SER 29 19.694 -5.948 -2.249 219 H PHE 30 H PHE 30 20.226 -6.459 0.063 220 HA PHE 30 HA PHE 30 22.852 -5.651 -0.369 221 HB2 PHE 30 2HB PHE 30 20.633 -4.622 0.950 222 HB3 PHE 30 3HB PHE 30 21.839 -4.790 2.222 223 HD1 PHE 30 HD1 PHE 30 24.272 -4.311 0.457 224 HD2 PHE 30 HD2 PHE 30 20.560 -2.265 0.844 225 HE1 PHE 30 HE1 PHE 30 25.346 -2.227 -0.289 226 HE2 PHE 30 HE2 PHE 30 21.628 -0.178 0.098 227 HZ PHE 30 HZ PHE 30 24.025 -0.156 -0.468 228 H SER 31 H SER 31 21.468 -7.430 2.373 229 HA SER 31 HA SER 31 23.720 -7.575 3.984 230 HB2 SER 31 2HB SER 31 21.609 -8.314 4.847 231 HB3 SER 31 3HB SER 31 21.463 -9.549 3.596 232 HG SER 31 HG SER 31 22.265 -10.134 5.834 233 H GLU 32 H GLU 32 22.712 -9.740 1.361 234 HA GLU 32 HA GLU 32 24.932 -11.503 1.646 235 HB2 GLU 32 2HB GLU 32 22.698 -12.031 0.555 236 HB3 GLU 32 3HB GLU 32 23.265 -11.121 -0.838 237 HG2 GLU 32 2HG GLU 32 23.725 -13.335 -1.371 238 HG3 GLU 32 3HG GLU 32 25.273 -12.692 -0.829 239 H LEU 33 H LEU 33 24.227 -8.734 -0.432 240 HA LEU 33 HA LEU 33 26.390 -8.900 -2.168 241 HB2 LEU 33 2HB LEU 33 24.557 -7.345 -2.493 242 HB3 LEU 33 3HB LEU 33 25.032 -6.451 -1.051 243 HG LEU 33 HG LEU 33 25.622 -5.507 -3.386 244 HD11 LEU 33 1HD1 LEU 33 26.825 -4.139 -2.128 245 HD12 LEU 33 2HD1 LEU 33 28.122 -5.330 -2.035 246 HD13 LEU 33 3HD1 LEU 33 26.828 -5.339 -0.836 247 HD21 LEU 33 3HD2 LEU 33 27.322 -6.408 -4.585 248 HD22 LEU 33 1HD2 LEU 33 26.742 -7.891 -3.826 249 HD23 LEU 33 2HD2 LEU 33 28.139 -7.047 -3.158 250 H TYR 34 H TYR 34 26.197 -7.594 1.094 251 HA TYR 34 HA TYR 34 28.751 -6.374 1.123 252 HB2 TYR 34 2HB TYR 34 27.275 -5.644 2.798 253 HB3 TYR 34 3HB TYR 34 26.853 -7.286 3.270 254 HD1 TYR 34 HD1 TYR 34 28.308 -8.573 4.736 255 HD2 TYR 34 HD2 TYR 34 29.313 -4.597 3.603 256 HE1 TYR 34 HE1 TYR 34 29.988 -8.493 6.530 257 HE2 TYR 34 HE2 TYR 34 30.997 -4.506 5.393 258 HH TYR 34 HH TYR 34 31.348 -5.705 7.652 259 H ASP 35 H ASP 35 27.627 -9.626 1.759 260 HA ASP 35 HA ASP 35 30.052 -10.549 2.954 261 HB2 ASP 35 2HB ASP 35 27.451 -11.586 2.483 262 HB3 ASP 35 3HB ASP 35 28.600 -12.699 1.746 263 H ILE 36 H ILE 36 28.821 -10.325 -0.307 264 HA ILE 36 HA ILE 36 31.045 -11.884 -1.370 265 HB ILE 36 HB ILE 36 28.916 -12.309 -2.403 266 HG12 ILE 36 2HG1 ILE 36 31.191 -11.803 -3.774 267 HG13 ILE 36 3HG1 ILE 36 29.711 -12.384 -4.530 268 HG21 ILE 36 1HG2 ILE 36 28.828 -9.336 -2.868 269 HG22 ILE 36 2HG2 ILE 36 27.761 -10.481 -3.679 270 HG23 ILE 36 3HG2 ILE 36 27.708 -10.318 -1.924 271 HD11 ILE 36 3HD1 ILE 36 29.167 -10.266 -5.348 272 HD12 ILE 36 1HD1 ILE 36 30.303 -9.460 -4.267 273 HD13 ILE 36 2HD1 ILE 36 30.902 -10.422 -5.618 274 H ILE 37 H ILE 37 30.223 -8.638 -0.731 275 HA ILE 37 HA ILE 37 31.549 -7.259 -2.761 276 HB ILE 37 HB ILE 37 30.083 -6.320 -0.872 277 HG12 ILE 37 2HG1 ILE 37 31.383 -4.127 -0.915 278 HG13 ILE 37 3HG1 ILE 37 32.615 -4.986 -1.832 279 HG21 ILE 37 1HG2 ILE 37 32.512 -5.612 0.620 280 HG22 ILE 37 2HG2 ILE 37 30.897 -6.014 1.201 281 HG23 ILE 37 3HG2 ILE 37 32.018 -7.300 0.752 282 HD11 ILE 37 3HD1 ILE 37 30.617 -5.606 -3.385 283 HD12 ILE 37 1HD1 ILE 37 29.858 -4.203 -2.632 284 HD13 ILE 37 2HD1 ILE 37 31.382 -4.021 -3.501 285 H ASP 38 H ASP 38 32.803 -9.175 -0.216 286 HA ASP 38 HA ASP 38 35.312 -7.990 0.184 287 HB2 ASP 38 2HB ASP 38 34.678 -9.655 1.730 288 HB3 ASP 38 3HB ASP 38 34.318 -10.819 0.458 289 H GLU 39 H GLU 39 34.104 -10.072 -2.349 290 HA GLU 39 HA GLU 39 36.671 -10.694 -3.450 291 HB2 GLU 39 2HB GLU 39 33.939 -10.861 -4.735 292 HB3 GLU 39 3HB GLU 39 35.411 -11.609 -5.339 293 HG2 GLU 39 2HG GLU 39 34.398 -12.252 -2.603 294 HG3 GLU 39 3HG GLU 39 33.712 -13.036 -4.025 295 H ASN 40 H ASN 40 37.178 -10.119 -5.771 296 HA ASN 40 HA ASN 40 36.349 -7.380 -6.432 297 HB2 ASN 40 2HB ASN 40 38.569 -7.405 -5.229 298 HB3 ASN 40 3HB ASN 40 39.217 -8.318 -6.588 299 HD21 ASN 40 1HD2 ASN 40 40.609 -6.854 -7.390 300 HD22 ASN 40 2HD2 ASN 40 40.150 -5.310 -8.014 301 H ASP 41 H ASP 41 36.217 -10.390 -7.408 302 HA ASP 41 HA ASP 41 37.222 -10.140 -10.107 303 HB2 ASP 41 2HB ASP 41 37.031 -12.289 -8.611 304 HB3 ASP 41 3HB ASP 41 35.385 -12.339 -9.237 305 H THR 42 H THR 42 36.085 -9.677 -11.908 306 HA THR 42 HA THR 42 33.573 -8.381 -11.663 307 HB THR 42 HB THR 42 33.626 -8.125 -14.069 308 HG1 THR 42 HG1 THR 42 34.771 -9.419 -15.340 309 HG21 THR 42 3HG2 THR 42 36.515 -7.900 -13.349 310 HG22 THR 42 1HG2 THR 42 35.331 -6.942 -12.460 311 HG23 THR 42 2HG2 THR 42 35.479 -6.760 -14.208 312 H ASP 43 H ASP 43 34.553 -11.619 -12.546 313 HA ASP 43 HA ASP 43 32.110 -12.449 -13.710 314 HB2 ASP 43 2HB ASP 43 34.519 -13.561 -13.651 315 HB3 ASP 43 3HB ASP 43 33.838 -14.405 -12.264 316 H VAL 44 H VAL 44 33.394 -12.660 -10.413 317 HA VAL 44 HA VAL 44 31.188 -14.086 -9.341 318 HB VAL 44 HB VAL 44 33.223 -12.337 -7.953 319 HG11 VAL 44 1HG1 VAL 44 32.215 -14.296 -6.209 320 HG12 VAL 44 2HG1 VAL 44 31.996 -12.548 -6.114 321 HG13 VAL 44 3HG1 VAL 44 30.816 -13.541 -6.970 322 HG21 VAL 44 3HG2 VAL 44 34.545 -14.196 -7.682 323 HG22 VAL 44 1HG2 VAL 44 33.190 -15.315 -7.831 324 HG23 VAL 44 2HG2 VAL 44 33.845 -14.526 -9.266 325 H MET 45 H MET 45 31.991 -10.647 -9.545 326 HA MET 45 HA MET 45 29.762 -9.760 -8.015 327 HB2 MET 45 2HB MET 45 31.762 -8.449 -9.811 328 HB3 MET 45 3HB MET 45 30.328 -7.552 -9.331 329 HG2 MET 45 2HG MET 45 31.004 -8.261 -6.930 330 HG3 MET 45 3HG MET 45 32.585 -8.546 -7.655 331 HE1 MET 45 3HE MET 45 29.720 -6.134 -7.078 332 HE2 MET 45 1HE MET 45 30.410 -4.524 -7.283 333 HE3 MET 45 2HE MET 45 30.042 -5.511 -8.697 334 H MET 46 H MET 46 30.387 -10.037 -11.497 335 HA MET 46 HA MET 46 27.901 -8.956 -12.317 336 HB2 MET 46 2HB MET 46 28.498 -9.595 -14.499 337 HB3 MET 46 3HB MET 46 30.029 -9.251 -13.705 338 HG2 MET 46 2HG MET 46 30.390 -11.633 -13.349 339 HG3 MET 46 3HG MET 46 28.848 -11.986 -14.124 340 HE1 MET 46 3HE MET 46 29.214 -9.920 -17.112 341 HE2 MET 46 1HE MET 46 29.163 -11.597 -17.657 342 HE3 MET 46 2HE MET 46 28.205 -11.094 -16.265 343 H ASP 47 H ASP 47 29.005 -12.221 -11.599 344 HA ASP 47 HA ASP 47 26.681 -13.549 -12.552 345 HB2 ASP 47 2HB ASP 47 28.696 -14.821 -12.315 346 HB3 ASP 47 3HB ASP 47 28.843 -14.382 -10.615 347 H PHE 48 H PHE 48 27.674 -12.331 -9.386 348 HA PHE 48 HA PHE 48 25.406 -13.358 -7.997 349 HB2 PHE 48 2HB PHE 48 27.317 -12.921 -6.672 350 HB3 PHE 48 3HB PHE 48 27.494 -11.294 -7.320 351 HD1 PHE 48 HD1 PHE 48 25.670 -13.414 -4.964 352 HD2 PHE 48 HD2 PHE 48 26.158 -9.470 -6.489 353 HE1 PHE 48 HE1 PHE 48 24.385 -12.524 -3.064 354 HE2 PHE 48 HE2 PHE 48 24.875 -8.573 -4.590 355 HZ PHE 48 HZ PHE 48 23.986 -10.101 -2.875 356 H ILE 49 H ILE 49 26.255 -10.168 -9.299 357 HA ILE 49 HA ILE 49 23.956 -8.811 -8.430 358 HB ILE 49 HB ILE 49 26.090 -8.303 -10.397 359 HG12 ILE 49 2HG1 ILE 49 25.511 -5.930 -9.266 360 HG13 ILE 49 3HG1 ILE 49 24.804 -7.000 -8.061 361 HG21 ILE 49 1HG2 ILE 49 24.324 -7.906 -11.912 362 HG22 ILE 49 2HG2 ILE 49 23.351 -7.098 -10.683 363 HG23 ILE 49 3HG2 ILE 49 24.806 -6.320 -11.308 364 HD11 ILE 49 3HD1 ILE 49 26.917 -8.096 -7.730 365 HD12 ILE 49 1HD1 ILE 49 27.645 -7.158 -9.033 366 HD13 ILE 49 2HD1 ILE 49 27.122 -6.354 -7.553 367 H SER 50 H SER 50 24.672 -10.392 -11.534 368 HA SER 50 HA SER 50 22.188 -9.817 -12.740 369 HB2 SER 50 2HB SER 50 24.414 -10.676 -13.795 370 HB3 SER 50 3HB SER 50 23.771 -12.276 -13.426 371 HG SER 50 HG SER 50 23.265 -10.990 -15.551 372 H ARG 51 H ARG 51 23.319 -12.519 -10.780 373 HA ARG 51 HA ARG 51 20.993 -14.122 -11.144 374 HB2 ARG 51 2HB ARG 51 23.311 -14.167 -9.241 375 HB3 ARG 51 3HB ARG 51 21.926 -15.214 -8.966 376 HG2 ARG 51 2HG ARG 51 23.436 -15.166 -11.562 377 HG3 ARG 51 3HG ARG 51 23.864 -16.226 -10.217 378 HD2 ARG 51 2HD ARG 51 21.654 -17.238 -10.286 379 HD3 ARG 51 3HD ARG 51 21.176 -16.143 -11.582 380 HE ARG 51 HE ARG 51 22.259 -17.498 -13.069 381 HH11 ARG 51 1HH1 ARG 51 23.375 -18.231 -9.854 382 HH12 ARG 51 2HH1 ARG 51 24.305 -19.606 -10.350 383 HH21 ARG 51 1HH2 ARG 51 23.480 -19.306 -13.734 384 HH22 ARG 51 2HH2 ARG 51 24.365 -20.216 -12.557 385 H PHE 52 H PHE 52 21.893 -11.568 -8.950 386 HA PHE 52 HA PHE 52 19.609 -12.060 -7.217 387 HB2 PHE 52 2HB PHE 52 22.046 -10.383 -7.103 388 HB3 PHE 52 3HB PHE 52 20.618 -9.721 -6.315 389 HD1 PHE 52 HD1 PHE 52 22.062 -13.152 -6.590 390 HD2 PHE 52 HD2 PHE 52 20.723 -10.014 -4.046 391 HE1 PHE 52 HE1 PHE 52 22.501 -14.564 -4.623 392 HE2 PHE 52 HE2 PHE 52 21.160 -11.419 -2.075 393 HZ PHE 52 HZ PHE 52 22.051 -13.698 -2.362 394 H ALA 53 H ALA 53 20.373 -10.259 -10.001 395 HA ALA 53 HA ALA 53 18.083 -8.460 -9.575 396 HB1 ALA 53 1HB ALA 53 19.977 -7.150 -10.024 397 HB2 ALA 53 2HB ALA 53 20.520 -8.224 -11.314 398 HB3 ALA 53 3HB ALA 53 19.096 -7.211 -11.551 399 H ARG 54 H ARG 54 16.728 -8.004 -11.473 400 HA ARG 54 HA ARG 54 16.736 -9.924 -13.631 401 HB2 ARG 54 2HB ARG 54 14.561 -10.862 -13.195 402 HB3 ARG 54 3HB ARG 54 15.576 -11.122 -11.784 403 HG2 ARG 54 2HG ARG 54 14.507 -9.226 -10.667 404 HG3 ARG 54 3HG ARG 54 13.480 -8.981 -12.082 405 HD2 ARG 54 2HD ARG 54 12.038 -10.291 -10.957 406 HD3 ARG 54 3HD ARG 54 13.035 -11.601 -11.587 407 HE ARG 54 HE ARG 54 14.262 -10.963 -9.267 408 HH11 ARG 54 1HH1 ARG 54 10.964 -11.712 -10.092 409 HH12 ARG 54 2HH1 ARG 54 10.598 -12.407 -8.548 410 HH21 ARG 54 1HH2 ARG 54 13.793 -11.876 -7.230 411 HH22 ARG 54 2HH2 ARG 54 12.208 -12.499 -6.920 412 H THR 55 H THR 55 16.780 -6.963 -13.058 413 HA THR 55 HA THR 55 15.866 -5.018 -13.838 414 HB THR 55 HB THR 55 15.207 -5.036 -16.195 415 HG1 THR 55 HG1 THR 55 15.072 -7.051 -17.286 416 HG21 THR 55 3HG2 THR 55 17.260 -5.903 -17.136 417 HG22 THR 55 1HG2 THR 55 17.529 -6.905 -15.711 418 HG23 THR 55 2HG2 THR 55 17.607 -5.148 -15.581 419 H ASP 56 H ASP 56 14.214 -4.760 -12.301 420 HA ASP 56 HA ASP 56 11.527 -5.554 -13.210 421 HB2 ASP 56 2HB ASP 56 12.722 -5.257 -10.478 422 HB3 ASP 56 3HB ASP 56 10.989 -5.031 -10.697 423 H GLU 57 H GLU 57 9.776 -4.019 -12.420 424 HA GLU 57 HA GLU 57 10.705 -1.230 -12.570 425 HB2 GLU 57 2HB GLU 57 8.835 -0.670 -14.008 426 HB3 GLU 57 3HB GLU 57 9.783 -1.954 -14.745 427 HG2 GLU 57 2HG GLU 57 8.145 -3.599 -13.956 428 HG3 GLU 57 3HG GLU 57 7.185 -2.293 -13.264 429 H ILE 58 H ILE 58 8.837 0.305 -11.955 430 HA ILE 58 HA ILE 58 7.553 -0.783 -9.539 431 HB ILE 58 HB ILE 58 7.382 1.864 -9.132 432 HG12 ILE 58 2HG1 ILE 58 9.600 2.850 -9.783 433 HG13 ILE 58 3HG1 ILE 58 9.866 1.441 -10.803 434 HG21 ILE 58 1HG2 ILE 58 8.269 0.503 -7.457 435 HG22 ILE 58 2HG2 ILE 58 9.588 -0.059 -8.483 436 HG23 ILE 58 3HG2 ILE 58 9.595 1.592 -7.864 437 HD11 ILE 58 3HD1 ILE 58 7.367 2.992 -11.184 438 HD12 ILE 58 1HD1 ILE 58 8.883 3.683 -11.761 439 HD13 ILE 58 2HD1 ILE 58 8.347 2.111 -12.357 440 H MET 59 H MET 59 5.397 -0.723 -9.345 441 HA MET 59 HA MET 59 3.809 0.063 -11.598 442 HB2 MET 59 2HB MET 59 3.439 -1.465 -9.150 443 HB3 MET 59 3HB MET 59 2.061 -0.428 -9.493 444 HG2 MET 59 2HG MET 59 2.258 -1.433 -11.887 445 HG3 MET 59 3HG MET 59 3.154 -2.709 -11.066 446 HE1 MET 59 3HE MET 59 1.648 -4.759 -11.354 447 HE2 MET 59 1HE MET 59 -0.113 -4.662 -11.399 448 HE3 MET 59 2HE MET 59 0.849 -3.769 -12.577 449 HA PRO 60 HA PRO 60 2.543 4.110 -10.474 450 HB2 PRO 60 2HB PRO 60 -0.104 4.106 -11.077 451 HB3 PRO 60 3HB PRO 60 1.161 4.096 -12.310 452 HG2 PRO 60 2HG PRO 60 -0.457 1.817 -11.239 453 HG3 PRO 60 3HG PRO 60 -0.010 2.181 -12.916 454 HD2 PRO 60 2HD PRO 60 1.290 0.327 -11.431 455 HD3 PRO 60 3HD PRO 60 2.104 1.294 -12.677 456 H GLU 61 H GLU 61 1.004 1.406 -8.961 457 HA GLU 61 HA GLU 61 -0.448 3.005 -7.036 458 HB2 GLU 61 2HB GLU 61 -1.353 1.003 -6.240 459 HB3 GLU 61 3HB GLU 61 -1.141 0.703 -7.959 460 HG2 GLU 61 2HG GLU 61 1.160 -0.275 -7.205 461 HG3 GLU 61 3HG GLU 61 0.357 -0.413 -5.642 462 H ASP 62 H ASP 62 2.711 1.884 -7.390 463 HA ASP 62 HA ASP 62 3.235 2.363 -4.532 464 HB2 ASP 62 2HB ASP 62 5.133 0.580 -5.907 465 HB3 ASP 62 3HB ASP 62 4.438 0.460 -4.293 466 H LYS 63 H LYS 63 5.989 2.249 -4.603 467 HA LYS 63 HA LYS 63 7.005 3.940 -6.702 468 HB2 LYS 63 2HB LYS 63 7.790 5.589 -4.765 469 HB3 LYS 63 3HB LYS 63 6.275 5.818 -5.628 470 HG2 LYS 63 2HG LYS 63 5.022 4.865 -3.846 471 HG3 LYS 63 3HG LYS 63 6.489 4.323 -3.027 472 HD2 LYS 63 2HD LYS 63 6.352 7.209 -3.592 473 HD3 LYS 63 3HD LYS 63 5.166 6.609 -2.430 474 HE2 LYS 63 2HE LYS 63 7.260 7.371 -1.364 475 HE3 LYS 63 3HE LYS 63 6.917 5.668 -1.064 476 HZ1 LYS 63 3HZ LYS 63 9.238 6.001 -1.606 477 HZ2 LYS 63 1HZ LYS 63 8.826 6.726 -3.078 478 HZ3 LYS 63 2HZ LYS 63 8.486 5.090 -2.817 479 H THR 64 H THR 64 9.304 4.836 -5.735 480 HA THR 64 HA THR 64 10.654 2.401 -4.780 481 HB THR 64 HB THR 64 11.325 4.369 -6.834 482 HG1 THR 64 HG1 THR 64 12.816 2.456 -7.260 483 HG21 THR 64 3HG2 THR 64 13.393 3.601 -4.777 484 HG22 THR 64 1HG2 THR 64 12.905 5.226 -5.257 485 HG23 THR 64 2HG2 THR 64 13.792 4.201 -6.386 486 H VAL 65 H VAL 65 11.467 2.423 -2.797 487 HA VAL 65 HA VAL 65 11.262 4.493 -0.989 488 HB VAL 65 HB VAL 65 11.668 2.429 -0.012 489 HG11 VAL 65 1HG1 VAL 65 13.864 2.154 -2.031 490 HG12 VAL 65 2HG1 VAL 65 13.824 1.137 -0.589 491 HG13 VAL 65 3HG1 VAL 65 12.484 1.097 -1.735 492 HG21 VAL 65 3HG2 VAL 65 13.257 4.470 0.686 493 HG22 VAL 65 1HG2 VAL 65 13.284 2.907 1.501 494 HG23 VAL 65 2HG2 VAL 65 14.486 3.278 0.266 495 H GLY 66 H GLY 66 13.997 3.672 -3.086 496 HA2 GLY 66 2HA GLY 66 14.944 6.135 -3.638 497 HA3 GLY 66 3HA GLY 66 15.609 5.837 -2.039 498 H PHE 67 H PHE 67 17.608 6.169 -3.430 499 HA PHE 67 HA PHE 67 18.496 3.540 -4.412 500 HB2 PHE 67 2HB PHE 67 19.733 5.980 -5.577 501 HB3 PHE 67 3HB PHE 67 19.426 4.412 -6.316 502 HD1 PHE 67 HD2 PHE 67 16.992 3.833 -6.867 503 HD2 PHE 67 HD1 PHE 67 18.340 7.780 -6.020 504 HE1 PHE 67 HE2 PHE 67 15.004 4.749 -7.991 505 HE2 PHE 67 HE1 PHE 67 16.354 8.703 -7.141 506 HZ PHE 67 HZ PHE 67 14.682 7.187 -8.127 507 H VAL 68 H VAL 68 20.599 2.939 -3.929 508 HA VAL 68 HA VAL 68 21.992 4.676 -1.996 509 HB VAL 68 HB VAL 68 22.021 1.656 -2.108 510 HG11 VAL 68 1HG1 VAL 68 23.614 3.656 -0.640 511 HG12 VAL 68 2HG1 VAL 68 23.019 2.293 0.310 512 HG13 VAL 68 3HG1 VAL 68 24.018 2.007 -1.115 513 HG21 VAL 68 3HG2 VAL 68 20.052 1.861 -1.057 514 HG22 VAL 68 1HG2 VAL 68 21.012 2.371 0.331 515 HG23 VAL 68 2HG2 VAL 68 20.295 3.578 -0.737 516 H VAL 69 H VAL 69 24.007 5.276 -2.473 517 HA VAL 69 HA VAL 69 25.314 4.010 -4.784 518 HB VAL 69 HB VAL 69 25.945 6.703 -3.575 519 HG11 VAL 69 1HG1 VAL 69 26.586 6.034 -6.381 520 HG12 VAL 69 2HG1 VAL 69 27.493 6.985 -5.204 521 HG13 VAL 69 3HG1 VAL 69 27.539 5.222 -5.139 522 HG21 VAL 69 3HG2 VAL 69 23.875 7.175 -4.405 523 HG22 VAL 69 1HG2 VAL 69 24.817 7.369 -5.883 524 HG23 VAL 69 2HG2 VAL 69 23.931 5.872 -5.591 525 H VAL 70 H VAL 70 27.005 2.749 -4.417 526 HA VAL 70 HA VAL 70 28.607 3.206 -1.985 527 HB VAL 70 HB VAL 70 27.843 0.556 -3.214 528 HG11 VAL 70 1HG1 VAL 70 29.095 -0.153 -0.969 529 HG12 VAL 70 2HG1 VAL 70 29.934 0.011 -2.514 530 HG13 VAL 70 3HG1 VAL 70 29.998 1.318 -1.331 531 HG21 VAL 70 3HG2 VAL 70 26.863 2.138 -0.948 532 HG22 VAL 70 1HG2 VAL 70 26.072 0.858 -1.868 533 HG23 VAL 70 2HG2 VAL 70 27.195 0.448 -0.572 534 H ASN 71 H ASN 71 30.586 3.845 -2.497 535 HA ASN 71 HA ASN 71 31.831 2.753 -4.935 536 HB2 ASN 71 2HB ASN 71 32.544 5.424 -3.737 537 HB3 ASN 71 3HB ASN 71 32.898 4.820 -5.353 538 HD21 ASN 71 1HD2 ASN 71 30.354 5.960 -3.228 539 HD22 ASN 71 2HD2 ASN 71 29.270 6.452 -4.480 540 H ALA 72 H ALA 72 33.261 1.265 -4.321 541 HA ALA 72 HA ALA 72 34.538 1.245 -1.781 542 HB1 ALA 72 1HB ALA 72 35.317 -0.316 -4.238 543 HB2 ALA 72 2HB ALA 72 35.703 -0.701 -2.561 544 HB3 ALA 72 3HB ALA 72 34.034 -0.787 -3.123 545 H ASP 73 H ASP 73 35.500 2.291 -5.001 546 HA ASP 73 HA ASP 73 38.240 2.649 -4.522 547 HB2 ASP 73 2HB ASP 73 36.649 2.907 -6.701 548 HB3 ASP 73 3HB ASP 73 36.934 4.603 -6.317 549 H LYS 74 H LYS 74 35.470 4.726 -3.905 550 HA LYS 74 HA LYS 74 37.203 6.861 -2.925 551 HB2 LYS 74 2HB LYS 74 34.223 6.678 -3.365 552 HB3 LYS 74 3HB LYS 74 34.991 8.059 -2.592 553 HG2 LYS 74 2HG LYS 74 35.710 7.089 -5.346 554 HG3 LYS 74 3HG LYS 74 34.498 8.333 -5.028 555 HD2 LYS 74 2HD LYS 74 37.386 8.474 -4.163 556 HD3 LYS 74 3HD LYS 74 36.723 9.261 -5.597 557 HE2 LYS 74 2HE LYS 74 36.486 11.007 -4.187 558 HE3 LYS 74 3HE LYS 74 35.005 10.164 -3.736 559 HZ1 LYS 74 3HZ LYS 74 37.187 9.155 -2.251 560 HZ2 LYS 74 1HZ LYS 74 35.774 9.899 -1.692 561 HZ3 LYS 74 2HZ LYS 74 37.124 10.837 -2.089 562 H LYS 75 H LYS 75 35.590 4.146 -1.750 563 HA LYS 75 HA LYS 75 35.205 3.327 0.336 564 HB2 LYS 75 2HB LYS 75 37.263 5.440 0.866 565 HB3 LYS 75 3HB LYS 75 36.508 4.603 2.216 566 HG2 LYS 75 2HG LYS 75 37.418 2.549 1.611 567 HG3 LYS 75 3HG LYS 75 37.757 3.078 -0.038 568 HD2 LYS 75 2HD LYS 75 39.826 2.962 1.188 569 HD3 LYS 75 3HD LYS 75 39.445 4.656 0.871 570 HE2 LYS 75 2HE LYS 75 39.028 5.115 3.067 571 HE3 LYS 75 3HE LYS 75 38.478 3.477 3.418 572 HZ1 LYS 75 3HZ LYS 75 40.734 2.712 3.420 573 HZ2 LYS 75 1HZ LYS 75 40.619 4.037 4.466 574 HZ3 LYS 75 2HZ LYS 75 41.309 4.227 2.933 575 H LEU 76 H LEU 76 33.292 5.089 -0.694 576 HA LEU 76 HA LEU 76 32.161 6.114 1.802 577 HB2 LEU 76 2HB LEU 76 31.268 8.042 0.231 578 HB3 LEU 76 3HB LEU 76 32.805 8.166 1.084 579 HG LEU 76 HG LEU 76 33.899 7.342 -1.049 580 HD11 LEU 76 1HD1 LEU 76 32.584 7.763 -3.116 581 HD12 LEU 76 2HD1 LEU 76 31.142 7.928 -2.114 582 HD13 LEU 76 3HD1 LEU 76 32.006 6.392 -2.168 583 HD21 LEU 76 3HD2 LEU 76 32.463 9.985 -0.925 584 HD22 LEU 76 1HD2 LEU 76 33.666 9.590 -2.153 585 HD23 LEU 76 2HD2 LEU 76 34.124 9.627 -0.450 586 H MET 77 H MET 77 29.880 6.213 1.837 587 HA MET 77 HA MET 77 28.446 5.164 -0.478 588 HB2 MET 77 2HB MET 77 27.917 3.926 2.203 589 HB3 MET 77 3HB MET 77 27.505 3.320 0.605 590 HG2 MET 77 2HG MET 77 29.976 3.028 0.209 591 HG3 MET 77 3HG MET 77 30.200 3.359 1.925 592 HE1 MET 77 3HE MET 77 31.273 0.221 2.037 593 HE2 MET 77 1HE MET 77 30.567 -0.402 0.545 594 HE3 MET 77 2HE MET 77 31.335 1.186 0.561 595 H SER 78 H SER 78 26.602 6.231 -0.779 596 HA SER 78 HA SER 78 25.410 7.634 1.522 597 HB2 SER 78 2HB SER 78 25.406 8.617 -1.339 598 HB3 SER 78 3HB SER 78 24.821 9.482 0.082 599 HG SER 78 HG SER 78 27.029 9.977 -0.753 600 H VAL 79 H VAL 79 23.255 7.435 1.820 601 HA VAL 79 HA VAL 79 21.757 5.887 -0.195 602 HB VAL 79 HB VAL 79 21.337 5.858 2.797 603 HG11 VAL 79 1HG1 VAL 79 19.321 5.059 2.314 604 HG12 VAL 79 2HG1 VAL 79 19.682 5.056 0.587 605 HG13 VAL 79 3HG1 VAL 79 20.104 3.661 1.579 606 HG21 VAL 79 3HG2 VAL 79 23.206 4.447 1.174 607 HG22 VAL 79 1HG2 VAL 79 22.920 4.307 2.908 608 HG23 VAL 79 2HG2 VAL 79 22.007 3.304 1.781 609 H SER 80 H SER 80 20.192 7.004 -1.134 610 HA SER 80 HA SER 80 18.926 9.197 0.374 611 HB2 SER 80 2HB SER 80 19.251 8.967 -2.628 612 HB3 SER 80 3HB SER 80 18.535 10.324 -1.758 613 HG SER 80 HG SER 80 20.651 10.844 -2.190 614 H PHE 81 H PHE 81 16.891 8.829 0.919 615 HA PHE 81 HA PHE 81 15.162 7.342 -0.922 616 HB2 PHE 81 2HB PHE 81 14.142 6.255 1.180 617 HB3 PHE 81 3HB PHE 81 15.674 5.621 0.589 618 HD1 PHE 81 HD2 PHE 81 14.327 8.121 3.000 619 HD2 PHE 81 HD1 PHE 81 17.414 5.342 2.071 620 HE1 PHE 81 HE2 PHE 81 15.330 8.501 5.214 621 HE2 PHE 81 HE1 PHE 81 18.422 5.717 4.284 622 HZ PHE 81 HZ PHE 81 17.379 7.297 5.859 623 H SER 82 H SER 82 13.001 7.932 -0.887 624 HA SER 82 HA SER 82 12.379 10.315 0.733 625 HB2 SER 82 2HB SER 82 11.815 9.648 -2.125 626 HB3 SER 82 3HB SER 82 10.648 10.637 -1.248 627 HG SER 82 HG SER 82 12.054 12.236 -1.141 628 H ASP 83 H ASP 83 10.193 10.571 1.439 629 HA ASP 83 HA ASP 83 8.570 9.602 2.798 630 HB2 ASP 83 2HB ASP 83 7.944 9.268 -0.088 631 HB3 ASP 83 3HB ASP 83 6.896 8.434 1.056 632 H ILE 84 H ILE 84 9.785 8.040 3.959 633 HA ILE 84 HA ILE 84 9.216 5.280 3.112 634 HB ILE 84 HB ILE 84 11.338 4.510 3.933 635 HG12 ILE 84 2HG1 ILE 84 12.366 7.266 4.410 636 HG13 ILE 84 3HG1 ILE 84 11.339 6.552 5.648 637 HG21 ILE 84 1HG2 ILE 84 11.848 6.932 2.215 638 HG22 ILE 84 2HG2 ILE 84 12.814 5.460 2.303 639 HG23 ILE 84 3HG2 ILE 84 11.191 5.410 1.615 640 HD11 ILE 84 3HD1 ILE 84 13.442 5.965 6.357 641 HD12 ILE 84 1HD1 ILE 84 12.955 4.534 5.449 642 HD13 ILE 84 2HD1 ILE 84 14.042 5.716 4.718 643 H ASP 85 H ASP 85 10.120 3.914 5.276 644 HA ASP 85 HA ASP 85 8.718 5.092 7.578 645 HB2 ASP 85 2HB ASP 85 8.475 2.202 6.721 646 HB3 ASP 85 3HB ASP 85 7.645 2.978 8.067 647 H GLU 86 H GLU 86 9.262 4.016 9.647 648 HA GLU 86 HA GLU 86 12.064 3.830 9.966 649 HB2 GLU 86 2HB GLU 86 11.554 3.227 12.300 650 HB3 GLU 86 3HB GLU 86 10.642 4.631 11.765 651 HG2 GLU 86 2HG GLU 86 8.766 2.948 11.249 652 HG3 GLU 86 3HG GLU 86 9.679 1.848 12.281 653 H ASN 87 H ASN 87 9.602 1.485 9.326 654 HA ASN 87 HA ASN 87 10.825 -0.838 10.285 655 HB2 ASN 87 2HB ASN 87 8.840 -0.277 8.108 656 HB3 ASN 87 3HB ASN 87 9.497 -1.901 8.291 657 HD21 ASN 87 1HD2 ASN 87 6.958 -0.054 9.044 658 HD22 ASN 87 2HD2 ASN 87 6.448 -0.803 10.515 659 H MET 88 H MET 88 10.988 0.630 7.044 660 HA MET 88 HA MET 88 12.988 -1.251 6.170 661 HB2 MET 88 2HB MET 88 13.009 0.109 4.098 662 HB3 MET 88 3HB MET 88 11.395 -0.423 4.550 663 HG2 MET 88 2HG MET 88 11.360 1.935 5.752 664 HG3 MET 88 3HG MET 88 12.559 2.300 4.514 665 HE1 MET 88 3HE MET 88 10.507 -0.122 2.332 666 HE2 MET 88 1HE MET 88 10.687 1.289 1.290 667 HE3 MET 88 2HE MET 88 12.040 0.749 2.283 668 H LYS 89 H LYS 89 12.892 2.057 7.335 669 HA LYS 89 HA LYS 89 15.417 2.944 6.622 670 HB2 LYS 89 2HB LYS 89 13.581 4.265 7.753 671 HB3 LYS 89 3HB LYS 89 14.085 3.529 9.268 672 HG2 LYS 89 2HG LYS 89 16.215 4.579 9.164 673 HG3 LYS 89 3HG LYS 89 15.930 5.126 7.510 674 HD2 LYS 89 2HD LYS 89 15.582 7.007 8.909 675 HD3 LYS 89 3HD LYS 89 13.981 6.453 8.413 676 HE2 LYS 89 2HE LYS 89 13.576 5.451 10.519 677 HE3 LYS 89 3HE LYS 89 15.265 5.610 10.999 678 HZ1 LYS 89 3HZ LYS 89 13.659 8.006 10.395 679 HZ2 LYS 89 1HZ LYS 89 15.037 7.864 11.366 680 HZ3 LYS 89 2HZ LYS 89 13.552 7.270 11.914 681 H LYS 90 H LYS 90 14.441 0.926 9.349 682 HA LYS 90 HA LYS 90 16.851 0.898 10.755 683 HB2 LYS 90 2HB LYS 90 16.011 -0.965 11.920 684 HB3 LYS 90 3HB LYS 90 14.581 -0.057 11.446 685 HG2 LYS 90 2HG LYS 90 13.898 -2.136 10.859 686 HG3 LYS 90 3HG LYS 90 14.701 -1.679 9.354 687 HD2 LYS 90 2HD LYS 90 16.355 -3.183 9.636 688 HD3 LYS 90 3HD LYS 90 16.456 -2.895 11.375 689 HE2 LYS 90 2HE LYS 90 14.391 -4.228 11.670 690 HE3 LYS 90 3HE LYS 90 14.400 -4.576 9.942 691 HZ1 LYS 90 3HZ LYS 90 15.598 -6.350 10.517 692 HZ2 LYS 90 1HZ LYS 90 15.964 -5.743 12.053 693 HZ3 LYS 90 2HZ LYS 90 16.893 -5.280 10.718 694 H VAL 91 H VAL 91 15.777 -1.019 8.000 695 HA VAL 91 HA VAL 91 18.020 -2.782 8.004 696 HB VAL 91 HB VAL 91 17.041 -3.824 6.253 697 HG11 VAL 91 1HG1 VAL 91 14.681 -2.044 6.783 698 HG12 VAL 91 2HG1 VAL 91 14.699 -3.762 6.379 699 HG13 VAL 91 3HG1 VAL 91 15.247 -3.222 7.967 700 HG21 VAL 91 3HG2 VAL 91 16.384 -1.097 5.154 701 HG22 VAL 91 1HG2 VAL 91 17.603 -2.232 4.574 702 HG23 VAL 91 2HG2 VAL 91 15.890 -2.605 4.383 703 H ILE 92 H ILE 92 17.260 0.263 6.412 704 HA ILE 92 HA ILE 92 19.454 0.265 4.620 705 HB ILE 92 HB ILE 92 18.177 2.756 5.720 706 HG12 ILE 92 2HG1 ILE 92 17.027 0.667 3.919 707 HG13 ILE 92 3HG1 ILE 92 16.235 1.636 5.157 708 HG21 ILE 92 1HG2 ILE 92 20.189 2.767 4.144 709 HG22 ILE 92 2HG2 ILE 92 19.066 2.199 2.908 710 HG23 ILE 92 3HG2 ILE 92 18.798 3.755 3.695 711 HD11 ILE 92 3HD1 ILE 92 17.004 2.451 2.374 712 HD12 ILE 92 1HD1 ILE 92 15.394 2.376 3.090 713 HD13 ILE 92 2HD1 ILE 92 16.538 3.611 3.618 714 H LYS 93 H LYS 93 18.972 1.715 7.825 715 HA LYS 93 HA LYS 93 21.512 2.946 7.978 716 HB2 LYS 93 2HB LYS 93 19.306 3.190 9.441 717 HB3 LYS 93 3HB LYS 93 20.137 2.020 10.457 718 HG2 LYS 93 2HG LYS 93 21.955 3.494 10.823 719 HG3 LYS 93 3HG LYS 93 21.392 4.603 9.571 720 HD2 LYS 93 2HD LYS 93 19.549 4.006 11.823 721 HD3 LYS 93 3HD LYS 93 20.941 5.041 12.152 722 HE2 LYS 93 2HE LYS 93 18.890 5.490 9.985 723 HE3 LYS 93 3HE LYS 93 18.949 6.337 11.530 724 HZ1 LYS 93 3HZ LYS 93 20.515 6.752 9.148 725 HZ2 LYS 93 1HZ LYS 93 21.439 6.703 10.564 726 HZ3 LYS 93 2HZ LYS 93 20.174 7.816 10.418 727 H ALA 94 H ALA 94 20.294 -0.168 9.163 728 HA ALA 94 HA ALA 94 22.645 -0.990 10.465 729 HB1 ALA 94 1HB ALA 94 20.544 -2.086 10.898 730 HB2 ALA 94 2HB ALA 94 20.444 -2.635 9.225 731 HB3 ALA 94 3HB ALA 94 21.700 -3.269 10.287 732 H THR 95 H THR 95 21.552 -1.352 7.129 733 HA THR 95 HA THR 95 23.678 -3.063 6.318 734 HB THR 95 HB THR 95 21.900 -1.283 4.638 735 HG1 THR 95 HG1 THR 95 21.719 -4.076 5.184 736 HG21 THR 95 3HG2 THR 95 22.954 -2.014 2.807 737 HG22 THR 95 1HG2 THR 95 22.946 -3.681 3.381 738 HG23 THR 95 2HG2 THR 95 24.232 -2.582 3.881 739 H ALA 96 H ALA 96 23.111 0.431 6.048 740 HA ALA 96 HA ALA 96 25.476 1.021 4.621 741 HB1 ALA 96 1HB ALA 96 23.366 2.466 5.011 742 HB2 ALA 96 2HB ALA 96 24.193 2.982 6.481 743 HB3 ALA 96 3HB ALA 96 24.939 3.257 4.907 744 H GLU 97 H GLU 97 24.709 1.191 8.091 745 HA GLU 97 HA GLU 97 27.252 2.097 8.910 746 HB2 GLU 97 2HB GLU 97 26.556 1.581 11.142 747 HB3 GLU 97 3HB GLU 97 25.157 2.202 10.277 748 HG2 GLU 97 2HG GLU 97 24.104 0.434 11.133 749 HG3 GLU 97 3HG GLU 97 24.905 -0.465 9.845 750 H LYS 98 H LYS 98 25.929 -1.101 8.347 751 HA LYS 98 HA LYS 98 27.895 -2.640 9.606 752 HB2 LYS 98 2HB LYS 98 25.847 -3.082 7.527 753 HB3 LYS 98 3HB LYS 98 27.197 -4.208 7.500 754 HG2 LYS 98 2HG LYS 98 25.695 -3.634 10.028 755 HG3 LYS 98 3HG LYS 98 25.130 -4.836 8.865 756 HD2 LYS 98 2HD LYS 98 27.922 -4.857 9.987 757 HD3 LYS 98 3HD LYS 98 26.576 -5.684 10.776 758 HE2 LYS 98 2HE LYS 98 26.241 -6.672 8.342 759 HE3 LYS 98 3HE LYS 98 27.960 -6.303 8.218 760 HZ1 LYS 98 3HZ LYS 98 27.401 -8.591 9.021 761 HZ2 LYS 98 1HZ LYS 98 26.811 -7.888 10.443 762 HZ3 LYS 98 2HZ LYS 98 28.442 -7.717 10.028 763 H PHE 99 H PHE 99 27.796 -1.189 6.396 764 HA PHE 99 HA PHE 99 30.070 -2.454 5.333 765 HB2 PHE 99 2HB PHE 99 28.442 -0.074 4.667 766 HB3 PHE 99 3HB PHE 99 30.084 -0.085 4.031 767 HD1 PHE 99 HD1 PHE 99 30.817 -2.095 2.663 768 HD2 PHE 99 HD2 PHE 99 26.750 -1.292 3.631 769 HE1 PHE 99 HE1 PHE 99 30.093 -3.557 0.821 770 HE2 PHE 99 HE2 PHE 99 26.020 -2.754 1.791 771 HZ PHE 99 HZ PHE 99 27.692 -3.888 0.383 772 H LYS 100 H LYS 100 29.684 0.338 7.404 773 HA LYS 100 HA LYS 100 32.237 1.462 7.128 774 HB2 LYS 100 2HB LYS 100 30.283 2.530 8.268 775 HB3 LYS 100 3HB LYS 100 30.530 1.435 9.623 776 HG2 LYS 100 2HG LYS 100 32.423 2.506 10.326 777 HG3 LYS 100 3HG LYS 100 32.814 3.109 8.714 778 HD2 LYS 100 2HD LYS 100 30.291 4.158 9.689 779 HD3 LYS 100 3HD LYS 100 31.630 4.540 10.773 780 HE2 LYS 100 2HE LYS 100 32.811 5.143 8.473 781 HE3 LYS 100 3HE LYS 100 31.140 5.392 7.970 782 HZ1 LYS 100 3HZ LYS 100 30.846 6.956 9.765 783 HZ2 LYS 100 1HZ LYS 100 32.168 7.424 8.818 784 HZ3 LYS 100 2HZ LYS 100 32.422 6.683 10.317 785 H ASN 101 H ASN 101 31.112 -1.310 8.904 786 HA ASN 101 HA ASN 101 33.237 -1.578 10.724 787 HB2 ASN 101 2HB ASN 101 31.446 -3.670 9.474 788 HB3 ASN 101 3HB ASN 101 32.555 -3.988 10.804 789 HD21 ASN 101 1HD2 ASN 101 30.916 -4.562 12.204 790 HD22 ASN 101 2HD2 ASN 101 29.818 -3.407 12.874 791 H LYS 102 H LYS 102 33.132 -1.959 7.349 792 HA LYS 102 HA LYS 102 35.512 -3.669 7.312 793 HB2 LYS 102 2HB LYS 102 33.596 -2.797 5.151 794 HB3 LYS 102 3HB LYS 102 35.095 -3.648 4.806 795 HG2 LYS 102 2HG LYS 102 33.052 -4.763 6.696 796 HG3 LYS 102 3HG LYS 102 32.953 -5.021 4.952 797 HD2 LYS 102 2HD LYS 102 35.514 -5.603 6.370 798 HD3 LYS 102 3HD LYS 102 34.181 -6.753 6.493 799 HE2 LYS 102 2HE LYS 102 34.096 -6.969 4.089 800 HE3 LYS 102 3HE LYS 102 35.326 -5.720 3.901 801 HZ1 LYS 102 3HZ LYS 102 35.981 -8.215 3.810 802 HZ2 LYS 102 1HZ LYS 102 35.938 -8.109 5.498 803 HZ3 LYS 102 2HZ LYS 102 36.981 -7.114 4.615 804 H GLY 103 H GLY 103 34.774 -0.451 7.440 805 HA2 GLY 103 2HA GLY 103 36.495 1.200 7.480 806 HA3 GLY 103 3HA GLY 103 37.395 0.245 6.311 807 H PHE 104 H PHE 104 34.171 1.762 6.502 808 HA PHE 104 HA PHE 104 34.759 3.228 4.048 809 HB2 PHE 104 2HB PHE 104 32.359 1.415 4.368 810 HB3 PHE 104 3HB PHE 104 32.589 2.555 3.046 811 HD1 PHE 104 HD2 PHE 104 33.885 -0.527 4.599 812 HD2 PHE 104 HD1 PHE 104 33.970 2.034 1.201 813 HE1 PHE 104 HE2 PHE 104 35.116 -2.245 3.340 814 HE2 PHE 104 HE1 PHE 104 35.201 0.320 -0.065 815 HZ PHE 104 HZ PHE 104 35.777 -1.822 1.005 816 H LYS 105 H LYS 105 33.232 4.963 3.625 817 HA LYS 105 HA LYS 105 32.263 6.118 6.117 818 HB2 LYS 105 2HB LYS 105 33.653 7.486 4.614 819 HB3 LYS 105 3HB LYS 105 32.450 7.311 3.344 820 HG2 LYS 105 2HG LYS 105 32.237 9.469 4.398 821 HG3 LYS 105 3HG LYS 105 30.815 8.485 4.750 822 HD2 LYS 105 2HD LYS 105 31.756 7.929 6.948 823 HD3 LYS 105 3HD LYS 105 33.165 8.932 6.593 824 HE2 LYS 105 2HE LYS 105 30.376 10.040 6.502 825 HE3 LYS 105 3HE LYS 105 31.285 9.950 8.011 826 HZ1 LYS 105 3HZ LYS 105 32.891 11.423 7.208 827 HZ2 LYS 105 1HZ LYS 105 31.424 12.098 6.704 828 HZ3 LYS 105 2HZ LYS 105 32.392 11.258 5.601 829 H VAL 106 H VAL 106 30.161 6.558 6.582 830 HA VAL 106 HA VAL 106 28.155 5.613 4.637 831 HB VAL 106 HB VAL 106 27.866 5.660 7.643 832 HG11 VAL 106 1HG1 VAL 106 26.106 4.821 5.381 833 HG12 VAL 106 2HG1 VAL 106 25.978 4.005 6.940 834 HG13 VAL 106 3HG1 VAL 106 25.710 5.745 6.829 835 HG21 VAL 106 3HG2 VAL 106 29.582 4.043 6.837 836 HG22 VAL 106 1HG2 VAL 106 28.198 3.284 7.624 837 HG23 VAL 106 2HG2 VAL 106 28.331 3.268 5.866 838 H GLU 107 H GLU 107 26.732 7.057 3.922 839 HA GLU 107 HA GLU 107 26.241 9.473 5.528 840 HB2 GLU 107 2HB GLU 107 27.751 10.086 3.726 841 HB3 GLU 107 3HB GLU 107 26.687 9.338 2.543 842 HG2 GLU 107 2HG GLU 107 25.113 11.022 2.693 843 HG3 GLU 107 3HG GLU 107 25.677 11.545 4.279 844 H THR 108 H THR 108 24.160 10.155 5.645 845 HA THR 108 HA THR 108 22.166 8.613 4.114 846 HB THR 108 HB THR 108 20.668 9.328 6.174 847 HG1 THR 108 HG1 THR 108 21.856 9.432 8.078 848 HG21 THR 108 3HG2 THR 108 20.666 7.133 6.629 849 HG22 THR 108 1HG2 THR 108 22.384 7.125 7.025 850 HG23 THR 108 2HG2 THR 108 21.866 6.994 5.344 851 H ASP 109 H ASP 109 20.700 9.725 2.970 852 HA ASP 109 HA ASP 109 20.417 12.608 3.484 853 HB2 ASP 109 2HB ASP 109 21.834 11.780 1.389 854 HB3 ASP 109 3HB ASP 109 20.231 11.624 0.676 855 H MET 110 H MET 110 18.426 13.532 2.497 856 HA MET 110 HA MET 110 16.292 11.703 1.849 857 HB2 MET 110 2HB MET 110 14.826 12.574 3.710 858 HB3 MET 110 3HB MET 110 16.115 11.488 4.212 859 HG2 MET 110 2HG MET 110 17.469 13.486 4.817 860 HG3 MET 110 3HG MET 110 16.059 14.483 4.467 861 HE1 MET 110 3HE MET 110 14.475 14.741 7.766 862 HE2 MET 110 1HE MET 110 15.583 15.589 6.688 863 HE3 MET 110 2HE MET 110 14.108 14.869 6.045 Start of MODEL 10 1 H1 MET 1 H MET 1 2.064 -0.443 1.284 2 HA MET 1 HA MET 1 1.472 -0.836 -1.508 3 HB2 MET 1 2HB MET 1 3.125 1.225 -1.934 4 HB3 MET 1 3HB MET 1 1.377 1.405 -1.889 5 HG2 MET 1 2HG MET 1 2.459 3.144 -0.600 6 HG3 MET 1 3HG MET 1 1.497 2.098 0.441 7 HE1 MET 1 3HE MET 1 4.854 2.451 -1.206 8 HE2 MET 1 1HE MET 1 6.050 2.150 0.055 9 HE3 MET 1 2HE MET 1 5.244 0.796 -0.737 10 H THR 2 H THR 2 3.616 -0.829 -2.795 11 HA THR 2 HA THR 2 5.595 -2.269 -1.170 12 HB THR 2 HB THR 2 5.767 -2.345 -4.132 13 HG1 THR 2 HG1 THR 2 3.702 -2.867 -4.229 14 HG21 THR 2 3HG2 THR 2 5.754 -4.755 -2.401 15 HG22 THR 2 1HG2 THR 2 7.094 -3.627 -2.204 16 HG23 THR 2 2HG2 THR 2 6.781 -4.357 -3.779 17 H LEU 3 H LEU 3 7.612 -1.517 -0.928 18 HA LEU 3 HA LEU 3 8.402 0.828 -2.528 19 HB2 LEU 3 2HB LEU 3 8.126 0.603 0.235 20 HB3 LEU 3 3HB LEU 3 9.863 0.525 -0.052 21 HG LEU 3 HG LEU 3 9.975 2.694 -0.803 22 HD11 LEU 3 1HD1 LEU 3 7.210 2.201 -1.749 23 HD12 LEU 3 2HD1 LEU 3 8.578 2.946 -2.576 24 HD13 LEU 3 3HD1 LEU 3 7.664 3.865 -1.381 25 HD21 LEU 3 3HD2 LEU 3 8.346 2.247 1.494 26 HD22 LEU 3 1HD2 LEU 3 7.770 3.689 0.656 27 HD23 LEU 3 2HD2 LEU 3 9.456 3.578 1.164 28 H CYS 4 H CYS 4 10.236 0.702 -3.662 29 HA CYS 4 HA CYS 4 12.058 -1.545 -3.099 30 HB2 CYS 4 2HB CYS 4 11.460 -0.367 -5.820 31 HB3 CYS 4 3HB CYS 4 12.481 -1.758 -5.478 32 HG CYS 4 HG CYS 4 9.214 -1.867 -4.560 33 H ALA 5 H ALA 5 14.297 -1.202 -3.723 34 HA ALA 5 HA ALA 5 15.093 1.605 -3.998 35 HB1 ALA 5 1HB ALA 5 15.798 1.742 -1.900 36 HB2 ALA 5 2HB ALA 5 15.355 0.060 -1.604 37 HB3 ALA 5 3HB ALA 5 16.955 0.454 -2.233 38 H MET 6 H MET 6 16.967 1.938 -5.136 39 HA MET 6 HA MET 6 18.255 -0.475 -6.231 40 HB2 MET 6 2HB MET 6 17.002 0.737 -7.937 41 HB3 MET 6 3HB MET 6 17.851 2.223 -7.534 42 HG2 MET 6 2HG MET 6 19.982 0.949 -8.149 43 HG3 MET 6 3HG MET 6 18.902 -0.225 -8.899 44 HE1 MET 6 3HE MET 6 17.774 1.307 -12.100 45 HE2 MET 6 1HE MET 6 18.308 -0.143 -11.249 46 HE3 MET 6 2HE MET 6 16.895 0.744 -10.678 47 H TYR 7 H TYR 7 20.320 -0.744 -5.719 48 HA TYR 7 HA TYR 7 21.902 1.627 -4.968 49 HB2 TYR 7 2HB TYR 7 23.053 0.321 -3.303 50 HB3 TYR 7 3HB TYR 7 21.321 0.159 -3.031 51 HD1 TYR 7 HD1 TYR 7 20.183 -1.940 -4.026 52 HD2 TYR 7 HD2 TYR 7 24.387 -1.580 -3.481 53 HE1 TYR 7 HE1 TYR 7 20.396 -4.389 -4.102 54 HE2 TYR 7 HE2 TYR 7 24.612 -4.028 -3.556 55 HH TYR 7 HH TYR 7 21.926 -6.127 -3.376 56 H ASN 8 H ASN 8 24.032 1.716 -5.647 57 HA ASN 8 HA ASN 8 24.811 -0.320 -7.630 58 HB2 ASN 8 2HB ASN 8 25.727 1.327 -9.013 59 HB3 ASN 8 3HB ASN 8 24.257 2.089 -8.413 60 HD21 ASN 8 1HD2 ASN 8 27.735 1.965 -8.144 61 HD22 ASN 8 2HD2 ASN 8 27.925 3.502 -7.379 62 H ILE 9 H ILE 9 26.790 -1.230 -7.471 63 HA ILE 9 HA ILE 9 28.523 -0.281 -5.283 64 HB ILE 9 HB ILE 9 29.420 -2.731 -5.465 65 HG12 ILE 9 2HG1 ILE 9 26.638 -2.962 -6.630 66 HG13 ILE 9 3HG1 ILE 9 28.150 -3.403 -7.416 67 HG21 ILE 9 1HG2 ILE 9 26.749 -2.706 -4.204 68 HG22 ILE 9 2HG2 ILE 9 28.318 -3.146 -3.533 69 HG23 ILE 9 3HG2 ILE 9 27.874 -1.447 -3.696 70 HD11 ILE 9 3HD1 ILE 9 27.576 -5.462 -6.742 71 HD12 ILE 9 1HD1 ILE 9 28.292 -4.943 -5.217 72 HD13 ILE 9 2HD1 ILE 9 26.544 -4.867 -5.441 73 H SER 10 H SER 10 30.542 0.308 -5.763 74 HA SER 10 HA SER 10 31.539 -0.282 -8.473 75 HB2 SER 10 2HB SER 10 31.057 2.162 -7.714 76 HB3 SER 10 3HB SER 10 32.556 1.997 -6.799 77 HG SER 10 HG SER 10 33.310 2.674 -8.681 78 H MET 11 H MET 11 33.262 -1.549 -8.616 79 HA MET 11 HA MET 11 34.710 -2.278 -6.207 80 HB2 MET 11 2HB MET 11 35.710 -4.027 -7.549 81 HB3 MET 11 3HB MET 11 33.972 -4.011 -7.815 82 HG2 MET 11 2HG MET 11 35.510 -2.375 -9.695 83 HG3 MET 11 3HG MET 11 35.846 -4.103 -9.769 84 HE1 MET 11 3HE MET 11 33.969 -3.676 -12.782 85 HE2 MET 11 1HE MET 11 33.481 -2.069 -12.241 86 HE3 MET 11 2HE MET 11 35.133 -2.625 -11.974 87 H ALA 12 H ALA 12 34.972 0.134 -8.426 88 HA ALA 12 HA ALA 12 37.462 1.037 -7.559 89 HB1 ALA 12 1HB ALA 12 37.806 -1.067 -9.307 90 HB2 ALA 12 2HB ALA 12 38.022 0.356 -10.328 91 HB3 ALA 12 3HB ALA 12 39.016 0.146 -8.886 92 H GLY 13 H GLY 13 38.406 2.396 -9.795 93 HA2 GLY 13 2HA GLY 13 36.343 4.414 -10.058 94 HA3 GLY 13 3HA GLY 13 38.005 4.538 -10.616 95 H SER 14 H SER 14 35.554 2.082 -11.357 96 HA SER 14 HA SER 14 35.550 3.007 -14.146 97 HB2 SER 14 2HB SER 14 35.913 0.151 -13.213 98 HB3 SER 14 3HB SER 14 35.601 0.620 -14.884 99 HG SER 14 HG SER 14 37.896 0.968 -13.328 100 H HIS 15 H HIS 15 33.710 2.211 -15.400 101 HA HIS 15 HA HIS 15 31.276 2.790 -14.516 102 HB2 HIS 15 2HB HIS 15 32.114 0.608 -16.400 103 HB3 HIS 15 3HB HIS 15 30.409 0.858 -16.034 104 HD1 HIS 15 HD1 HIS 15 29.954 3.745 -16.212 105 HD2 HIS 15 HD2 HIS 15 32.647 1.836 -18.735 106 HE1 HIS 15 HE1 HIS 15 30.197 5.258 -18.206 107 HA PRO 16 HA PRO 16 30.865 -0.078 -11.056 108 HB2 PRO 16 2HB PRO 16 28.801 1.263 -9.909 109 HB3 PRO 16 3HB PRO 16 30.489 1.753 -9.721 110 HG2 PRO 16 2HG PRO 16 28.397 2.835 -11.569 111 HG3 PRO 16 3HG PRO 16 29.592 3.712 -10.597 112 HD2 PRO 16 2HD PRO 16 29.921 3.255 -13.245 113 HD3 PRO 16 3HD PRO 16 31.286 3.338 -12.114 114 H THR 17 H THR 17 28.746 -1.033 -10.054 115 HA THR 17 HA THR 17 26.992 -1.824 -12.287 116 HB THR 17 HB THR 17 27.555 -3.471 -9.820 117 HG1 THR 17 HG1 THR 17 29.468 -3.215 -11.074 118 HG21 THR 17 3HG2 THR 17 26.607 -5.291 -11.119 119 HG22 THR 17 1HG2 THR 17 26.392 -4.223 -12.505 120 HG23 THR 17 2HG2 THR 17 25.458 -3.956 -11.032 121 H THR 18 H THR 18 24.874 -1.456 -12.101 122 HA THR 18 HA THR 18 23.873 -0.465 -9.521 123 HB THR 18 HB THR 18 22.155 -0.164 -11.900 124 HG1 THR 18 HG1 THR 18 24.517 1.410 -11.650 125 HG21 THR 18 3HG2 THR 18 23.108 1.975 -10.022 126 HG22 THR 18 1HG2 THR 18 21.877 0.813 -9.531 127 HG23 THR 18 2HG2 THR 18 21.586 1.876 -10.908 128 H ILE 19 H ILE 19 22.054 -1.315 -8.572 129 HA ILE 19 HA ILE 19 20.685 -3.528 -9.909 130 HB ILE 19 HB ILE 19 22.441 -3.790 -7.578 131 HG12 ILE 19 2HG1 ILE 19 21.203 -5.640 -9.614 132 HG13 ILE 19 3HG1 ILE 19 22.880 -5.117 -9.502 133 HG21 ILE 19 1HG2 ILE 19 19.672 -4.979 -7.492 134 HG22 ILE 19 2HG2 ILE 19 21.003 -5.427 -6.426 135 HG23 ILE 19 3HG2 ILE 19 20.344 -3.792 -6.375 136 HD11 ILE 19 3HD1 ILE 19 23.102 -6.388 -7.407 137 HD12 ILE 19 1HD1 ILE 19 21.447 -6.963 -7.609 138 HD13 ILE 19 2HD1 ILE 19 22.684 -7.402 -8.788 139 H CYS 20 H CYS 20 18.552 -3.688 -9.423 140 HA CYS 20 HA CYS 20 17.512 -1.863 -7.356 141 HB2 CYS 20 2HB CYS 20 16.943 -0.977 -9.527 142 HB3 CYS 20 3HB CYS 20 16.339 -2.542 -10.057 143 HG CYS 20 HG CYS 20 14.566 -0.168 -9.010 144 H VAL 21 H VAL 21 16.618 -2.918 -5.724 145 HA VAL 21 HA VAL 21 14.983 -5.285 -6.270 146 HB VAL 21 HB VAL 21 15.952 -6.426 -4.268 147 HG11 VAL 21 1HG1 VAL 21 17.239 -7.593 -5.666 148 HG12 VAL 21 2HG1 VAL 21 16.847 -6.377 -6.884 149 HG13 VAL 21 3HG1 VAL 21 18.323 -6.227 -5.930 150 HG21 VAL 21 3HG2 VAL 21 17.923 -5.700 -3.239 151 HG22 VAL 21 1HG2 VAL 21 18.286 -4.560 -4.535 152 HG23 VAL 21 2HG2 VAL 21 16.966 -4.229 -3.413 153 H VAL 22 H VAL 22 13.344 -5.673 -4.762 154 HA VAL 22 HA VAL 22 12.278 -3.383 -3.492 155 HB VAL 22 HB VAL 22 10.930 -5.307 -4.366 156 HG11 VAL 22 1HG1 VAL 22 11.012 -7.373 -3.492 157 HG12 VAL 22 2HG1 VAL 22 12.578 -6.861 -2.860 158 HG13 VAL 22 3HG1 VAL 22 11.142 -6.777 -1.838 159 HG21 VAL 22 3HG2 VAL 22 9.213 -5.126 -2.694 160 HG22 VAL 22 1HG2 VAL 22 10.391 -4.639 -1.476 161 HG23 VAL 22 2HG2 VAL 22 10.030 -3.569 -2.831 162 H MET 23 H MET 23 11.846 -3.053 -1.244 163 HA MET 23 HA MET 23 14.043 -3.277 0.426 164 HB2 MET 23 2HB MET 23 12.520 -2.661 2.260 165 HB3 MET 23 3HB MET 23 12.259 -1.672 0.830 166 HG2 MET 23 2HG MET 23 10.103 -2.126 1.190 167 HG3 MET 23 3HG MET 23 10.476 -3.657 0.402 168 HE1 MET 23 3HE MET 23 8.814 -2.347 3.877 169 HE2 MET 23 1HE MET 23 10.206 -2.806 4.859 170 HE3 MET 23 2HE MET 23 10.406 -1.673 3.522 171 H ASP 24 H ASP 24 11.274 -5.426 0.069 172 HA ASP 24 HA ASP 24 11.705 -7.073 2.283 173 HB2 ASP 24 2HB ASP 24 9.740 -7.015 0.579 174 HB3 ASP 24 3HB ASP 24 10.710 -8.170 -0.330 175 H ARG 25 H ARG 25 13.129 -7.127 -0.939 176 HA ARG 25 HA ARG 25 14.741 -9.462 -0.212 177 HB2 ARG 25 2HB ARG 25 14.318 -8.057 -2.853 178 HB3 ARG 25 3HB ARG 25 15.422 -9.406 -2.625 179 HG2 ARG 25 2HG ARG 25 13.473 -10.765 -1.851 180 HG3 ARG 25 3HG ARG 25 12.430 -9.424 -2.330 181 HD2 ARG 25 2HD ARG 25 13.219 -9.603 -4.621 182 HD3 ARG 25 3HD ARG 25 14.328 -10.892 -4.157 183 HE ARG 25 HE ARG 25 11.804 -11.730 -3.408 184 HH11 ARG 25 1HH1 ARG 25 13.440 -10.857 -6.354 185 HH12 ARG 25 2HH1 ARG 25 12.488 -11.909 -7.348 186 HH21 ARG 25 1HH2 ARG 25 10.543 -13.118 -4.706 187 HH22 ARG 25 2HH2 ARG 25 10.839 -13.194 -6.410 188 H PHE 26 H PHE 26 14.914 -6.090 -0.316 189 HA PHE 26 HA PHE 26 17.595 -5.673 -1.057 190 HB2 PHE 26 2HB PHE 26 15.976 -3.843 -0.925 191 HB3 PHE 26 3HB PHE 26 15.850 -4.061 0.817 192 HD1 PHE 26 HD1 PHE 26 18.839 -3.988 -1.399 193 HD2 PHE 26 HD2 PHE 26 16.691 -2.138 1.776 194 HE1 PHE 26 HE1 PHE 26 20.693 -2.405 -1.072 195 HE2 PHE 26 HE2 PHE 26 18.541 -0.550 2.107 196 HZ PHE 26 HZ PHE 26 20.546 -0.683 0.683 197 H LEU 27 H LEU 27 16.094 -6.241 2.103 198 HA LEU 27 HA LEU 27 18.356 -5.909 3.699 199 HB2 LEU 27 2HB LEU 27 17.177 -7.428 5.300 200 HB3 LEU 27 3HB LEU 27 16.235 -6.049 4.738 201 HG LEU 27 HG LEU 27 15.481 -7.995 2.976 202 HD11 LEU 27 1HD1 LEU 27 16.817 -9.421 4.902 203 HD12 LEU 27 2HD1 LEU 27 15.588 -10.060 3.811 204 HD13 LEU 27 3HD1 LEU 27 15.138 -9.525 5.430 205 HD21 LEU 27 3HD2 LEU 27 13.396 -7.841 3.988 206 HD22 LEU 27 1HD2 LEU 27 14.177 -6.330 4.454 207 HD23 LEU 27 2HD2 LEU 27 14.083 -7.664 5.604 208 H GLU 28 H GLU 28 17.072 -8.866 2.194 209 HA GLU 28 HA GLU 28 19.162 -10.541 3.139 210 HB2 GLU 28 2HB GLU 28 16.929 -11.366 2.424 211 HB3 GLU 28 3HB GLU 28 17.342 -10.964 0.763 212 HG2 GLU 28 2HG GLU 28 18.904 -12.664 0.600 213 HG3 GLU 28 3HG GLU 28 19.084 -12.801 2.348 214 H SER 29 H SER 29 18.573 -8.893 0.055 215 HA SER 29 HA SER 29 20.747 -9.903 -1.369 216 HB2 SER 29 2HB SER 29 20.387 -8.153 -2.920 217 HB3 SER 29 3HB SER 29 18.799 -8.468 -2.220 218 HG SER 29 HG SER 29 19.427 -6.706 -0.693 219 H PHE 30 H PHE 30 20.530 -7.158 0.839 220 HA PHE 30 HA PHE 30 23.148 -6.178 0.377 221 HB2 PHE 30 2HB PHE 30 22.239 -4.504 1.551 222 HB3 PHE 30 3HB PHE 30 20.916 -5.537 2.081 223 HD1 PHE 30 HD2 PHE 30 24.473 -4.748 2.832 224 HD2 PHE 30 HD1 PHE 30 20.714 -6.085 4.317 225 HE1 PHE 30 HE2 PHE 30 25.367 -4.707 5.124 226 HE2 PHE 30 HE1 PHE 30 21.602 -6.045 6.611 227 HZ PHE 30 HZ PHE 30 23.931 -5.355 7.017 228 H SER 31 H SER 31 21.784 -8.326 2.849 229 HA SER 31 HA SER 31 24.055 -8.668 4.416 230 HB2 SER 31 2HB SER 31 21.734 -9.489 4.946 231 HB3 SER 31 3HB SER 31 22.011 -10.818 3.820 232 HG SER 31 HG SER 31 23.174 -11.780 5.279 233 H GLU 32 H GLU 32 22.990 -10.518 1.577 234 HA GLU 32 HA GLU 32 25.264 -12.251 1.606 235 HB2 GLU 32 2HB GLU 32 22.961 -12.715 0.583 236 HB3 GLU 32 3HB GLU 32 23.491 -11.727 -0.771 237 HG2 GLU 32 2HG GLU 32 23.923 -13.921 -1.427 238 HG3 GLU 32 3HG GLU 32 25.490 -13.288 -0.927 239 H LEU 33 H LEU 33 24.349 -9.358 -0.212 240 HA LEU 33 HA LEU 33 26.441 -9.304 -2.044 241 HB2 LEU 33 2HB LEU 33 24.532 -7.822 -2.199 242 HB3 LEU 33 3HB LEU 33 25.009 -7.012 -0.708 243 HG LEU 33 HG LEU 33 25.476 -5.880 -2.994 244 HD11 LEU 33 1HD1 LEU 33 26.320 -5.303 -0.633 245 HD12 LEU 33 2HD1 LEU 33 27.180 -4.638 -2.021 246 HD13 LEU 33 3HD1 LEU 33 27.839 -6.029 -1.160 247 HD21 LEU 33 3HD2 LEU 33 26.741 -8.169 -3.589 248 HD22 LEU 33 1HD2 LEU 33 28.092 -7.249 -2.926 249 HD23 LEU 33 2HD2 LEU 33 27.177 -6.610 -4.292 250 H TYR 34 H TYR 34 26.320 -8.206 1.300 251 HA TYR 34 HA TYR 34 28.823 -6.885 1.308 252 HB2 TYR 34 2HB TYR 34 27.293 -6.359 3.054 253 HB3 TYR 34 3HB TYR 34 27.123 -8.050 3.512 254 HD1 TYR 34 HD2 TYR 34 29.278 -5.086 3.699 255 HD2 TYR 34 HD1 TYR 34 28.780 -9.139 4.894 256 HE1 TYR 34 HE2 TYR 34 31.057 -4.805 5.374 257 HE2 TYR 34 HE1 TYR 34 30.557 -8.869 6.572 258 HH TYR 34 HH TYR 34 31.622 -7.041 7.848 259 H ASP 35 H ASP 35 27.856 -10.213 1.769 260 HA ASP 35 HA ASP 35 30.360 -11.100 2.828 261 HB2 ASP 35 2HB ASP 35 27.781 -12.222 2.364 262 HB3 ASP 35 3HB ASP 35 28.971 -13.250 1.570 263 H ILE 36 H ILE 36 29.035 -10.652 -0.355 264 HA ILE 36 HA ILE 36 31.262 -12.083 -1.594 265 HB ILE 36 HB ILE 36 29.117 -12.545 -2.576 266 HG12 ILE 36 2HG1 ILE 36 31.316 -11.815 -3.993 267 HG13 ILE 36 3HG1 ILE 36 29.853 -12.471 -4.719 268 HG21 ILE 36 1HG2 ILE 36 28.875 -9.557 -2.856 269 HG22 ILE 36 2HG2 ILE 36 27.826 -10.704 -3.687 270 HG23 ILE 36 3HG2 ILE 36 27.844 -10.642 -1.925 271 HD11 ILE 36 3HD1 ILE 36 30.272 -9.526 -4.343 272 HD12 ILE 36 1HD1 ILE 36 30.828 -10.392 -5.775 273 HD13 ILE 36 2HD1 ILE 36 29.109 -10.348 -5.383 274 H ILE 37 H ILE 37 30.272 -8.906 -0.787 275 HA ILE 37 HA ILE 37 31.514 -7.382 -2.769 276 HB ILE 37 HB ILE 37 29.993 -6.575 -0.881 277 HG12 ILE 37 2HG1 ILE 37 31.201 -4.334 -0.788 278 HG13 ILE 37 3HG1 ILE 37 32.495 -5.100 -1.704 279 HG21 ILE 37 1HG2 ILE 37 32.315 -5.809 0.723 280 HG22 ILE 37 2HG2 ILE 37 30.729 -6.389 1.226 281 HG23 ILE 37 3HG2 ILE 37 31.972 -7.539 0.733 282 HD11 ILE 37 3HD1 ILE 37 29.726 -4.405 -2.553 283 HD12 ILE 37 1HD1 ILE 37 31.264 -4.095 -3.358 284 HD13 ILE 37 2HD1 ILE 37 30.584 -5.722 -3.352 285 H ASP 38 H ASP 38 32.875 -9.323 -0.304 286 HA ASP 38 HA ASP 38 35.344 -7.973 0.040 287 HB2 ASP 38 2HB ASP 38 34.369 -9.755 1.556 288 HB3 ASP 38 3HB ASP 38 34.881 -10.940 0.357 289 H GLU 39 H GLU 39 34.082 -9.938 -2.470 290 HA GLU 39 HA GLU 39 36.587 -10.849 -3.513 291 HB2 GLU 39 2HB GLU 39 33.886 -10.655 -4.859 292 HB3 GLU 39 3HB GLU 39 35.276 -11.540 -5.472 293 HG2 GLU 39 2HG GLU 39 33.644 -12.140 -3.024 294 HG3 GLU 39 3HG GLU 39 33.817 -13.117 -4.482 295 H ASN 40 H ASN 40 36.834 -10.331 -6.051 296 HA ASN 40 HA ASN 40 36.452 -7.516 -6.628 297 HB2 ASN 40 2HB ASN 40 38.604 -7.751 -5.277 298 HB3 ASN 40 3HB ASN 40 39.261 -8.618 -6.662 299 HD21 ASN 40 1HD2 ASN 40 40.410 -7.416 -7.972 300 HD22 ASN 40 2HD2 ASN 40 40.194 -5.727 -8.267 301 H ASP 41 H ASP 41 35.857 -10.313 -7.673 302 HA ASP 41 HA ASP 41 37.089 -10.116 -10.327 303 HB2 ASP 41 2HB ASP 41 35.943 -12.328 -8.717 304 HB3 ASP 41 3HB ASP 41 35.694 -12.416 -10.458 305 H THR 42 H THR 42 35.922 -9.775 -12.157 306 HA THR 42 HA THR 42 33.380 -8.518 -11.900 307 HB THR 42 HB THR 42 33.409 -8.397 -14.371 308 HG1 THR 42 HG1 THR 42 34.769 -9.581 -15.510 309 HG21 THR 42 3HG2 THR 42 36.188 -7.682 -13.599 310 HG22 THR 42 1HG2 THR 42 34.871 -6.950 -12.683 311 HG23 THR 42 2HG2 THR 42 34.963 -6.723 -14.430 312 H ASP 43 H ASP 43 34.448 -11.733 -12.742 313 HA ASP 43 HA ASP 43 32.047 -12.642 -13.930 314 HB2 ASP 43 2HB ASP 43 33.949 -14.419 -12.419 315 HB3 ASP 43 3HB ASP 43 32.981 -14.802 -13.840 316 H VAL 44 H VAL 44 33.303 -12.877 -10.615 317 HA VAL 44 HA VAL 44 31.049 -14.267 -9.588 318 HB VAL 44 HB VAL 44 33.198 -14.351 -8.443 319 HG11 VAL 44 1HG1 VAL 44 34.123 -12.457 -7.277 320 HG12 VAL 44 2HG1 VAL 44 33.892 -12.031 -8.974 321 HG13 VAL 44 3HG1 VAL 44 32.758 -11.448 -7.755 322 HG21 VAL 44 3HG2 VAL 44 30.694 -13.931 -7.241 323 HG22 VAL 44 1HG2 VAL 44 32.095 -14.755 -6.556 324 HG23 VAL 44 2HG2 VAL 44 31.862 -13.029 -6.275 325 H MET 45 H MET 45 31.941 -10.859 -9.777 326 HA MET 45 HA MET 45 29.782 -9.907 -8.190 327 HB2 MET 45 2HB MET 45 31.843 -8.704 -9.955 328 HB3 MET 45 3HB MET 45 30.393 -7.751 -9.669 329 HG2 MET 45 2HG MET 45 32.087 -8.915 -7.475 330 HG3 MET 45 3HG MET 45 32.291 -7.288 -8.120 331 HE1 MET 45 3HE MET 45 29.109 -5.829 -8.045 332 HE2 MET 45 1HE MET 45 29.952 -5.132 -6.661 333 HE3 MET 45 2HE MET 45 30.851 -5.561 -8.117 334 H MET 46 H MET 46 30.290 -10.221 -11.687 335 HA MET 46 HA MET 46 27.805 -9.082 -12.433 336 HB2 MET 46 2HB MET 46 28.313 -9.757 -14.632 337 HB3 MET 46 3HB MET 46 29.872 -9.420 -13.892 338 HG2 MET 46 2HG MET 46 30.238 -11.794 -13.534 339 HG3 MET 46 3HG MET 46 28.655 -12.152 -14.219 340 HE1 MET 46 3HE MET 46 27.891 -11.337 -16.300 341 HE2 MET 46 1HE MET 46 28.840 -10.425 -17.475 342 HE3 MET 46 2HE MET 46 28.707 -12.178 -17.619 343 H ASP 47 H ASP 47 28.851 -12.363 -11.714 344 HA ASP 47 HA ASP 47 26.472 -13.645 -12.597 345 HB2 ASP 47 2HB ASP 47 28.463 -14.962 -12.404 346 HB3 ASP 47 3HB ASP 47 28.667 -14.514 -10.713 347 H PHE 48 H PHE 48 27.584 -12.441 -9.464 348 HA PHE 48 HA PHE 48 25.321 -13.395 -8.015 349 HB2 PHE 48 2HB PHE 48 27.330 -13.009 -6.783 350 HB3 PHE 48 3HB PHE 48 27.451 -11.355 -7.373 351 HD1 PHE 48 HD2 PHE 48 26.060 -9.597 -6.449 352 HD2 PHE 48 HD1 PHE 48 25.823 -13.591 -4.997 353 HE1 PHE 48 HE2 PHE 48 24.843 -8.800 -4.465 354 HE2 PHE 48 HE1 PHE 48 24.605 -12.801 -3.011 355 HZ PHE 48 HZ PHE 48 24.114 -10.402 -2.742 356 H ILE 49 H ILE 49 26.242 -10.240 -9.349 357 HA ILE 49 HA ILE 49 24.025 -8.795 -8.416 358 HB ILE 49 HB ILE 49 26.081 -8.385 -10.500 359 HG12 ILE 49 2HG1 ILE 49 26.083 -6.110 -9.377 360 HG13 ILE 49 3HG1 ILE 49 24.869 -6.745 -8.272 361 HG21 ILE 49 1HG2 ILE 49 24.257 -7.867 -11.895 362 HG22 ILE 49 2HG2 ILE 49 23.391 -7.053 -10.593 363 HG23 ILE 49 3HG2 ILE 49 24.836 -6.316 -11.285 364 HD11 ILE 49 3HD1 ILE 49 27.761 -7.246 -8.404 365 HD12 ILE 49 1HD1 ILE 49 26.669 -7.217 -7.019 366 HD13 ILE 49 2HD1 ILE 49 26.752 -8.648 -8.047 367 H SER 50 H SER 50 24.572 -10.412 -11.538 368 HA SER 50 HA SER 50 22.065 -9.761 -12.652 369 HB2 SER 50 2HB SER 50 24.226 -10.708 -13.777 370 HB3 SER 50 3HB SER 50 23.526 -12.279 -13.387 371 HG SER 50 HG SER 50 23.010 -11.175 -15.513 372 H ARG 51 H ARG 51 23.179 -12.501 -10.733 373 HA ARG 51 HA ARG 51 20.787 -14.022 -10.997 374 HB2 ARG 51 2HB ARG 51 22.990 -14.993 -10.378 375 HB3 ARG 51 3HB ARG 51 22.887 -14.169 -8.827 376 HG2 ARG 51 2HG ARG 51 22.210 -16.363 -8.396 377 HG3 ARG 51 3HG ARG 51 20.710 -15.436 -8.478 378 HD2 ARG 51 2HD ARG 51 21.783 -16.774 -10.927 379 HD3 ARG 51 3HD ARG 51 20.899 -17.714 -9.725 380 HE ARG 51 HE ARG 51 19.365 -15.473 -10.302 381 HH11 ARG 51 1HH1 ARG 51 20.577 -18.285 -11.958 382 HH12 ARG 51 2HH1 ARG 51 19.253 -18.359 -13.074 383 HH21 ARG 51 1HH2 ARG 51 17.618 -15.560 -11.766 384 HH22 ARG 51 2HH2 ARG 51 17.571 -16.808 -12.965 385 H PHE 52 H PHE 52 21.856 -11.496 -8.845 386 HA PHE 52 HA PHE 52 19.578 -11.891 -7.067 387 HB2 PHE 52 2HB PHE 52 22.110 -10.333 -6.956 388 HB3 PHE 52 3HB PHE 52 20.731 -9.694 -6.067 389 HD1 PHE 52 HD1 PHE 52 21.952 -13.171 -6.634 390 HD2 PHE 52 HD2 PHE 52 21.040 -10.103 -3.828 391 HE1 PHE 52 HE1 PHE 52 22.431 -14.723 -4.786 392 HE2 PHE 52 HE2 PHE 52 21.518 -11.650 -1.976 393 HZ PHE 52 HZ PHE 52 22.216 -13.963 -2.454 394 H ALA 53 H ALA 53 20.319 -10.210 -9.880 395 HA ALA 53 HA ALA 53 18.164 -8.261 -9.376 396 HB1 ALA 53 1HB ALA 53 19.265 -6.644 -10.565 397 HB2 ALA 53 2HB ALA 53 20.634 -7.509 -9.866 398 HB3 ALA 53 3HB ALA 53 20.161 -7.811 -11.538 399 H ARG 54 H ARG 54 17.918 -7.435 -12.071 400 HA ARG 54 HA ARG 54 16.950 -7.980 -14.067 401 HB2 ARG 54 2HB ARG 54 18.670 -9.958 -13.861 402 HB3 ARG 54 3HB ARG 54 17.228 -10.910 -13.531 403 HG2 ARG 54 2HG ARG 54 17.609 -11.124 -15.833 404 HG3 ARG 54 3HG ARG 54 16.285 -9.966 -15.686 405 HD2 ARG 54 2HD ARG 54 17.685 -8.982 -17.260 406 HD3 ARG 54 3HD ARG 54 18.133 -8.175 -15.758 407 HE ARG 54 HE ARG 54 19.745 -10.475 -16.293 408 HH11 ARG 54 1HH1 ARG 54 19.306 -7.100 -17.028 409 HH12 ARG 54 2HH1 ARG 54 20.968 -6.839 -17.439 410 HH21 ARG 54 1HH2 ARG 54 21.936 -10.144 -16.833 411 HH22 ARG 54 2HH2 ARG 54 22.464 -8.572 -17.329 412 H THR 55 H THR 55 15.247 -7.288 -12.242 413 HA THR 55 HA THR 55 13.174 -9.375 -12.120 414 HB THR 55 HB THR 55 12.148 -8.005 -10.313 415 HG1 THR 55 HG1 THR 55 13.189 -6.223 -9.554 416 HG21 THR 55 3HG2 THR 55 15.014 -8.628 -9.639 417 HG22 THR 55 1HG2 THR 55 13.817 -9.889 -9.928 418 HG23 THR 55 2HG2 THR 55 13.595 -8.749 -8.600 419 H ASP 56 H ASP 56 12.956 -5.842 -11.889 420 HA ASP 56 HA ASP 56 11.955 -5.252 -14.391 421 HB2 ASP 56 2HB ASP 56 10.085 -6.782 -12.884 422 HB3 ASP 56 3HB ASP 56 9.457 -5.141 -13.013 423 H GLU 57 H GLU 57 10.110 -3.338 -14.041 424 HA GLU 57 HA GLU 57 11.558 -1.384 -12.449 425 HB2 GLU 57 2HB GLU 57 10.333 0.282 -13.628 426 HB3 GLU 57 3HB GLU 57 10.798 -0.935 -14.808 427 HG2 GLU 57 2HG GLU 57 8.434 -1.922 -14.254 428 HG3 GLU 57 3HG GLU 57 8.110 -0.271 -13.726 429 H ILE 58 H ILE 58 9.425 0.390 -11.931 430 HA ILE 58 HA ILE 58 8.122 -1.033 -9.713 431 HB ILE 58 HB ILE 58 7.651 1.530 -9.100 432 HG12 ILE 58 2HG1 ILE 58 9.732 2.830 -9.603 433 HG13 ILE 58 3HG1 ILE 58 10.217 1.543 -10.702 434 HG21 ILE 58 1HG2 ILE 58 10.230 0.063 -8.564 435 HG22 ILE 58 2HG2 ILE 58 9.608 1.420 -7.627 436 HG23 ILE 58 3HG2 ILE 58 8.726 -0.107 -7.658 437 HD11 ILE 58 3HD1 ILE 58 8.627 2.091 -12.257 438 HD12 ILE 58 1HD1 ILE 58 7.564 2.842 -11.067 439 HD13 ILE 58 2HD1 ILE 58 9.025 3.677 -11.597 440 H MET 59 H MET 59 5.974 -1.252 -9.644 441 HA MET 59 HA MET 59 4.392 -0.429 -11.885 442 HB2 MET 59 2HB MET 59 3.837 -1.934 -9.349 443 HB3 MET 59 3HB MET 59 2.511 -1.398 -10.372 444 HG2 MET 59 2HG MET 59 4.790 -3.127 -11.301 445 HG3 MET 59 3HG MET 59 3.218 -3.730 -10.782 446 HE1 MET 59 3HE MET 59 1.562 -4.346 -12.220 447 HE2 MET 59 1HE MET 59 0.819 -2.746 -12.218 448 HE3 MET 59 2HE MET 59 1.075 -3.597 -13.742 449 HA PRO 60 HA PRO 60 2.618 3.320 -10.456 450 HB2 PRO 60 2HB PRO 60 0.011 3.073 -11.173 451 HB3 PRO 60 3HB PRO 60 1.310 3.325 -12.345 452 HG2 PRO 60 2HG PRO 60 -0.065 0.785 -11.558 453 HG3 PRO 60 3HG PRO 60 0.393 1.355 -13.174 454 HD2 PRO 60 2HD PRO 60 1.850 -0.473 -11.807 455 HD3 PRO 60 3HD PRO 60 2.587 0.695 -12.923 456 H GLU 61 H GLU 61 1.520 0.337 -9.181 457 HA GLU 61 HA GLU 61 -0.259 1.538 -7.229 458 HB2 GLU 61 2HB GLU 61 -0.822 -0.651 -6.579 459 HB3 GLU 61 3HB GLU 61 -0.595 -0.748 -8.319 460 HG2 GLU 61 2HG GLU 61 1.815 -1.459 -7.733 461 HG3 GLU 61 3HG GLU 61 1.156 -1.782 -6.131 462 H ASP 62 H ASP 62 3.050 0.709 -7.504 463 HA ASP 62 HA ASP 62 3.406 1.143 -4.611 464 HB2 ASP 62 2HB ASP 62 5.700 -0.150 -5.385 465 HB3 ASP 62 3HB ASP 62 4.316 -0.918 -4.611 466 H LYS 63 H LYS 63 6.089 1.488 -4.477 467 HA LYS 63 HA LYS 63 6.902 3.474 -6.435 468 HB2 LYS 63 2HB LYS 63 7.490 4.841 -4.130 469 HB3 LYS 63 3HB LYS 63 6.138 5.188 -5.200 470 HG2 LYS 63 2HG LYS 63 4.606 4.122 -3.818 471 HG3 LYS 63 3HG LYS 63 5.858 3.208 -2.974 472 HD2 LYS 63 2HD LYS 63 5.407 4.803 -1.398 473 HD3 LYS 63 3HD LYS 63 6.680 5.626 -2.302 474 HE2 LYS 63 2HE LYS 63 5.150 7.004 -3.418 475 HE3 LYS 63 3HE LYS 63 3.784 5.967 -3.011 476 HZ1 LYS 63 3HZ LYS 63 5.194 7.070 -0.739 477 HZ2 LYS 63 1HZ LYS 63 3.532 6.943 -1.026 478 HZ3 LYS 63 2HZ LYS 63 4.412 8.217 -1.705 479 H THR 64 H THR 64 9.091 4.515 -5.434 480 HA THR 64 HA THR 64 10.720 2.206 -4.593 481 HB THR 64 HB THR 64 11.192 4.314 -6.628 482 HG1 THR 64 HG1 THR 64 12.158 2.541 -7.660 483 HG21 THR 64 3HG2 THR 64 13.680 3.901 -6.408 484 HG22 THR 64 1HG2 THR 64 13.342 3.245 -4.807 485 HG23 THR 64 2HG2 THR 64 12.961 4.929 -5.169 486 H VAL 65 H VAL 65 11.400 2.375 -2.567 487 HA VAL 65 HA VAL 65 11.198 4.551 -0.900 488 HB VAL 65 HB VAL 65 11.622 2.506 0.155 489 HG11 VAL 65 1HG1 VAL 65 12.586 1.114 -1.410 490 HG12 VAL 65 2HG1 VAL 65 13.869 2.262 -1.797 491 HG13 VAL 65 3HG1 VAL 65 13.921 1.358 -0.283 492 HG21 VAL 65 3HG2 VAL 65 13.152 4.679 0.755 493 HG22 VAL 65 1HG2 VAL 65 13.055 3.214 1.732 494 HG23 VAL 65 2HG2 VAL 65 14.375 3.420 0.581 495 H GLY 66 H GLY 66 13.871 3.675 -3.033 496 HA2 GLY 66 2HA GLY 66 14.810 6.091 -3.710 497 HA3 GLY 66 3HA GLY 66 15.492 5.898 -2.102 498 H PHE 67 H PHE 67 17.492 6.152 -3.475 499 HA PHE 67 HA PHE 67 18.399 3.483 -4.318 500 HB2 PHE 67 2HB PHE 67 19.846 4.678 -6.020 501 HB3 PHE 67 3HB PHE 67 18.119 4.671 -6.361 502 HD1 PHE 67 HD1 PHE 67 20.988 6.715 -5.392 503 HD2 PHE 67 HD2 PHE 67 16.819 6.702 -6.247 504 HE1 PHE 67 HE1 PHE 67 21.021 9.169 -5.571 505 HE2 PHE 67 HE2 PHE 67 16.845 9.156 -6.429 506 HZ PHE 67 HZ PHE 67 18.948 10.392 -6.092 507 H VAL 68 H VAL 68 20.537 2.959 -3.853 508 HA VAL 68 HA VAL 68 21.912 4.827 -2.032 509 HB VAL 68 HB VAL 68 21.903 1.807 -1.959 510 HG11 VAL 68 1HG1 VAL 68 23.727 3.793 -0.820 511 HG12 VAL 68 2HG1 VAL 68 23.093 2.636 0.352 512 HG13 VAL 68 3HG1 VAL 68 23.950 2.063 -1.080 513 HG21 VAL 68 3HG2 VAL 68 20.376 3.887 -0.574 514 HG22 VAL 68 1HG2 VAL 68 20.021 2.174 -0.794 515 HG23 VAL 68 2HG2 VAL 68 21.106 2.691 0.496 516 H VAL 69 H VAL 69 23.916 5.425 -2.559 517 HA VAL 69 HA VAL 69 25.201 4.084 -4.836 518 HB VAL 69 HB VAL 69 25.912 6.781 -3.688 519 HG11 VAL 69 1HG1 VAL 69 27.275 7.081 -5.523 520 HG12 VAL 69 2HG1 VAL 69 27.486 5.358 -5.208 521 HG13 VAL 69 3HG1 VAL 69 26.406 5.894 -6.495 522 HG21 VAL 69 3HG2 VAL 69 23.754 5.976 -5.545 523 HG22 VAL 69 1HG2 VAL 69 23.844 7.339 -4.429 524 HG23 VAL 69 2HG2 VAL 69 24.682 7.412 -5.979 525 H VAL 70 H VAL 70 26.866 2.795 -4.450 526 HA VAL 70 HA VAL 70 28.520 3.298 -2.062 527 HB VAL 70 HB VAL 70 28.146 0.532 -3.158 528 HG11 VAL 70 1HG1 VAL 70 28.453 1.076 -0.277 529 HG12 VAL 70 2HG1 VAL 70 29.214 -0.152 -1.291 530 HG13 VAL 70 3HG1 VAL 70 29.831 1.501 -1.292 531 HG21 VAL 70 3HG2 VAL 70 26.474 0.478 -1.064 532 HG22 VAL 70 1HG2 VAL 70 26.198 2.131 -1.613 533 HG23 VAL 70 2HG2 VAL 70 25.937 0.780 -2.717 534 H ASN 71 H ASN 71 30.502 3.877 -2.633 535 HA ASN 71 HA ASN 71 31.675 2.678 -5.056 536 HB2 ASN 71 2HB ASN 71 32.441 5.377 -3.948 537 HB3 ASN 71 3HB ASN 71 32.804 4.710 -5.537 538 HD21 ASN 71 1HD2 ASN 71 30.248 5.949 -3.481 539 HD22 ASN 71 2HD2 ASN 71 29.186 6.411 -4.762 540 H ALA 72 H ALA 72 33.100 1.189 -4.440 541 HA ALA 72 HA ALA 72 34.411 1.194 -1.918 542 HB1 ALA 72 1HB ALA 72 35.533 -0.780 -2.672 543 HB2 ALA 72 2HB ALA 72 33.865 -0.847 -3.240 544 HB3 ALA 72 3HB ALA 72 35.159 -0.411 -4.356 545 H ASP 73 H ASP 73 35.345 2.187 -5.164 546 HA ASP 73 HA ASP 73 38.095 2.526 -4.706 547 HB2 ASP 73 2HB ASP 73 36.461 2.767 -6.878 548 HB3 ASP 73 3HB ASP 73 36.845 4.455 -6.549 549 H LYS 74 H LYS 74 35.341 4.634 -4.133 550 HA LYS 74 HA LYS 74 37.087 6.790 -3.228 551 HB2 LYS 74 2HB LYS 74 34.098 6.604 -3.610 552 HB3 LYS 74 3HB LYS 74 34.892 8.009 -2.911 553 HG2 LYS 74 2HG LYS 74 35.561 6.926 -5.634 554 HG3 LYS 74 3HG LYS 74 34.341 8.170 -5.352 555 HD2 LYS 74 2HD LYS 74 35.900 9.752 -4.752 556 HD3 LYS 74 3HD LYS 74 37.074 8.547 -4.219 557 HE2 LYS 74 2HE LYS 74 37.507 7.932 -6.539 558 HE3 LYS 74 3HE LYS 74 36.308 9.105 -7.084 559 HZ1 LYS 74 3HZ LYS 74 37.658 10.873 -6.161 560 HZ2 LYS 74 1HZ LYS 74 38.565 9.965 -7.263 561 HZ3 LYS 74 2HZ LYS 74 38.799 9.756 -5.601 562 H LYS 75 H LYS 75 35.472 4.114 -1.960 563 HA LYS 75 HA LYS 75 35.103 3.356 0.152 564 HB2 LYS 75 2HB LYS 75 37.190 5.461 0.605 565 HB3 LYS 75 3HB LYS 75 36.452 4.649 1.979 566 HG2 LYS 75 2HG LYS 75 38.178 3.235 1.696 567 HG3 LYS 75 3HG LYS 75 37.100 2.510 0.501 568 HD2 LYS 75 2HD LYS 75 38.168 3.816 -1.264 569 HD3 LYS 75 3HD LYS 75 39.230 4.572 -0.073 570 HE2 LYS 75 2HE LYS 75 40.315 2.726 -1.311 571 HE3 LYS 75 3HE LYS 75 40.253 2.449 0.429 572 HZ1 LYS 75 3HZ LYS 75 38.565 0.873 0.185 573 HZ2 LYS 75 1HZ LYS 75 39.639 0.522 -1.074 574 HZ3 LYS 75 2HZ LYS 75 38.201 1.351 -1.396 575 H LEU 76 H LEU 76 33.195 5.111 -0.893 576 HA LEU 76 HA LEU 76 32.123 6.226 1.591 577 HB2 LEU 76 2HB LEU 76 31.215 8.107 -0.026 578 HB3 LEU 76 3HB LEU 76 32.771 8.246 0.791 579 HG LEU 76 HG LEU 76 33.814 7.340 -1.334 580 HD11 LEU 76 1HD1 LEU 76 31.040 7.908 -2.361 581 HD12 LEU 76 2HD1 LEU 76 31.896 6.367 -2.384 582 HD13 LEU 76 3HD1 LEU 76 32.459 7.703 -3.388 583 HD21 LEU 76 3HD2 LEU 76 34.337 9.488 -1.518 584 HD22 LEU 76 1HD2 LEU 76 32.865 9.959 -0.668 585 HD23 LEU 76 2HD2 LEU 76 32.841 9.744 -2.418 586 H MET 77 H MET 77 29.848 6.336 1.676 587 HA MET 77 HA MET 77 28.359 5.216 -0.572 588 HB2 MET 77 2HB MET 77 28.923 3.267 0.763 589 HB3 MET 77 3HB MET 77 28.321 4.052 2.217 590 HG2 MET 77 2HG MET 77 26.185 4.141 0.453 591 HG3 MET 77 3HG MET 77 26.903 2.553 0.198 592 HE1 MET 77 3HE MET 77 27.936 1.375 2.427 593 HE2 MET 77 1HE MET 77 28.021 2.628 3.665 594 HE3 MET 77 2HE MET 77 26.988 1.219 3.907 595 H SER 78 H SER 78 26.490 6.250 -0.874 596 HA SER 78 HA SER 78 25.377 7.796 1.375 597 HB2 SER 78 2HB SER 78 25.302 8.608 -1.539 598 HB3 SER 78 3HB SER 78 24.743 9.555 -0.160 599 HG SER 78 HG SER 78 27.305 9.143 -1.109 600 H VAL 79 H VAL 79 23.225 7.643 1.738 601 HA VAL 79 HA VAL 79 21.675 5.950 -0.113 602 HB VAL 79 HB VAL 79 21.285 6.212 2.872 603 HG11 VAL 79 1HG1 VAL 79 20.067 3.902 1.751 604 HG12 VAL 79 2HG1 VAL 79 19.299 5.272 2.556 605 HG13 VAL 79 3HG1 VAL 79 19.560 5.305 0.811 606 HG21 VAL 79 3HG2 VAL 79 23.000 4.480 1.266 607 HG22 VAL 79 1HG2 VAL 79 23.029 4.817 2.997 608 HG23 VAL 79 2HG2 VAL 79 21.931 3.596 2.354 609 H SER 80 H SER 80 20.109 6.992 -1.133 610 HA SER 80 HA SER 80 18.878 9.324 0.184 611 HB2 SER 80 2HB SER 80 19.138 8.846 -2.794 612 HB3 SER 80 3HB SER 80 18.514 10.297 -2.009 613 HG SER 80 HG SER 80 21.069 9.608 -2.549 614 H PHE 81 H PHE 81 16.858 8.987 0.796 615 HA PHE 81 HA PHE 81 15.089 7.400 -0.919 616 HB2 PHE 81 2HB PHE 81 14.099 6.453 1.264 617 HB3 PHE 81 3HB PHE 81 15.615 5.771 0.685 618 HD1 PHE 81 HD2 PHE 81 14.338 8.433 2.958 619 HD2 PHE 81 HD1 PHE 81 17.373 5.559 2.154 620 HE1 PHE 81 HE2 PHE 81 15.386 8.938 5.126 621 HE2 PHE 81 HE1 PHE 81 18.425 6.059 4.322 622 HZ PHE 81 HZ PHE 81 17.432 7.751 5.810 623 H SER 82 H SER 82 12.921 7.987 -0.859 624 HA SER 82 HA SER 82 12.356 10.495 0.584 625 HB2 SER 82 2HB SER 82 12.418 10.313 -2.073 626 HB3 SER 82 3HB SER 82 10.768 9.740 -1.826 627 HG SER 82 HG SER 82 11.715 12.115 -0.624 628 H ASP 83 H ASP 83 10.213 10.812 1.371 629 HA ASP 83 HA ASP 83 8.664 9.948 2.888 630 HB2 ASP 83 2HB ASP 83 7.802 9.121 0.118 631 HB3 ASP 83 3HB ASP 83 6.759 8.937 1.525 632 H ILE 84 H ILE 84 9.918 8.442 4.079 633 HA ILE 84 HA ILE 84 9.249 5.647 3.454 634 HB ILE 84 HB ILE 84 11.419 4.884 4.171 635 HG12 ILE 84 2HG1 ILE 84 12.662 7.556 4.278 636 HG13 ILE 84 3HG1 ILE 84 11.572 7.194 5.612 637 HG21 ILE 84 1HG2 ILE 84 12.748 5.622 2.336 638 HG22 ILE 84 2HG2 ILE 84 11.068 5.617 1.803 639 HG23 ILE 84 3HG2 ILE 84 11.855 7.138 2.223 640 HD11 ILE 84 3HD1 ILE 84 12.961 4.950 5.660 641 HD12 ILE 84 1HD1 ILE 84 14.177 5.978 4.903 642 HD13 ILE 84 2HD1 ILE 84 13.515 6.411 6.479 643 H ASP 85 H ASP 85 9.193 4.227 5.298 644 HA ASP 85 HA ASP 85 8.325 5.632 7.709 645 HB2 ASP 85 2HB ASP 85 7.955 2.810 6.715 646 HB3 ASP 85 3HB ASP 85 7.546 3.281 8.363 647 H GLU 86 H GLU 86 8.924 4.717 9.832 648 HA GLU 86 HA GLU 86 11.732 4.562 10.103 649 HB2 GLU 86 2HB GLU 86 11.264 4.097 12.487 650 HB3 GLU 86 3HB GLU 86 10.366 5.481 11.878 651 HG2 GLU 86 2HG GLU 86 8.426 3.889 11.533 652 HG3 GLU 86 3HG GLU 86 9.344 2.729 12.492 653 H ASN 87 H ASN 87 9.262 2.163 9.711 654 HA ASN 87 HA ASN 87 10.559 -0.076 10.783 655 HB2 ASN 87 2HB ASN 87 8.542 0.194 8.552 656 HB3 ASN 87 3HB ASN 87 9.107 -1.365 9.142 657 HD21 ASN 87 1HD2 ASN 87 6.459 0.034 9.196 658 HD22 ASN 87 2HD2 ASN 87 5.965 -0.037 10.850 659 H MET 88 H MET 88 10.510 1.136 7.433 660 HA MET 88 HA MET 88 12.434 -0.798 6.549 661 HB2 MET 88 2HB MET 88 12.364 0.411 4.423 662 HB3 MET 88 3HB MET 88 10.741 0.091 5.019 663 HG2 MET 88 2HG MET 88 10.768 2.436 5.960 664 HG3 MET 88 3HG MET 88 12.235 2.693 5.017 665 HE1 MET 88 3HE MET 88 10.852 0.368 2.747 666 HE2 MET 88 1HE MET 88 10.546 1.541 1.466 667 HE3 MET 88 2HE MET 88 12.078 1.570 2.340 668 H LYS 89 H LYS 89 12.496 2.611 7.454 669 HA LYS 89 HA LYS 89 15.023 3.340 6.636 670 HB2 LYS 89 2HB LYS 89 13.229 4.747 7.808 671 HB3 LYS 89 3HB LYS 89 13.906 4.145 9.315 672 HG2 LYS 89 2HG LYS 89 16.023 5.160 8.844 673 HG3 LYS 89 3HG LYS 89 15.491 5.619 7.224 674 HD2 LYS 89 2HD LYS 89 15.110 7.598 8.279 675 HD3 LYS 89 3HD LYS 89 13.569 6.813 8.633 676 HE2 LYS 89 2HE LYS 89 14.698 5.969 10.766 677 HE3 LYS 89 3HE LYS 89 15.956 7.156 10.425 678 HZ1 LYS 89 3HZ LYS 89 13.579 8.516 10.177 679 HZ2 LYS 89 1HZ LYS 89 14.679 8.625 11.458 680 HZ3 LYS 89 2HZ LYS 89 13.377 7.550 11.551 681 H LYS 90 H LYS 90 14.084 1.459 9.458 682 HA LYS 90 HA LYS 90 16.513 1.443 10.828 683 HB2 LYS 90 2HB LYS 90 14.075 0.350 11.270 684 HB3 LYS 90 3HB LYS 90 14.984 -1.088 10.825 685 HG2 LYS 90 2HG LYS 90 16.011 0.811 12.900 686 HG3 LYS 90 3HG LYS 90 14.842 -0.449 13.302 687 HD2 LYS 90 2HD LYS 90 16.349 -2.166 12.585 688 HD3 LYS 90 3HD LYS 90 17.475 -0.975 11.929 689 HE2 LYS 90 2HE LYS 90 16.742 -0.831 14.814 690 HE3 LYS 90 3HE LYS 90 17.872 -2.077 14.287 691 HZ1 LYS 90 3HZ LYS 90 18.590 0.404 14.962 692 HZ2 LYS 90 1HZ LYS 90 18.420 0.585 13.289 693 HZ3 LYS 90 2HZ LYS 90 19.479 -0.578 13.910 694 H VAL 91 H VAL 91 15.337 -0.681 8.247 695 HA VAL 91 HA VAL 91 17.597 -2.397 8.238 696 HB VAL 91 HB VAL 91 16.594 -3.507 6.532 697 HG11 VAL 91 1HG1 VAL 91 14.868 -2.869 8.326 698 HG12 VAL 91 2HG1 VAL 91 14.198 -1.794 7.097 699 HG13 VAL 91 3HG1 VAL 91 14.278 -3.532 6.802 700 HG21 VAL 91 3HG2 VAL 91 15.318 -2.358 4.697 701 HG22 VAL 91 1HG2 VAL 91 15.817 -0.823 5.409 702 HG23 VAL 91 2HG2 VAL 91 17.030 -1.945 4.790 703 H ILE 92 H ILE 92 16.790 0.571 6.529 704 HA ILE 92 HA ILE 92 18.901 0.501 4.656 705 HB ILE 92 HB ILE 92 17.684 3.018 5.777 706 HG12 ILE 92 2HG1 ILE 92 16.570 1.087 3.740 707 HG13 ILE 92 3HG1 ILE 92 15.812 1.633 5.232 708 HG21 ILE 92 1HG2 ILE 92 18.217 3.981 3.666 709 HG22 ILE 92 2HG2 ILE 92 19.660 3.147 4.242 710 HG23 ILE 92 3HG2 ILE 92 18.655 2.411 2.993 711 HD11 ILE 92 3HD1 ILE 92 14.702 2.811 3.574 712 HD12 ILE 92 1HD1 ILE 92 15.890 3.967 4.175 713 HD13 ILE 92 2HD1 ILE 92 16.180 3.111 2.660 714 H LYS 93 H LYS 93 18.613 2.039 7.844 715 HA LYS 93 HA LYS 93 21.177 3.222 7.845 716 HB2 LYS 93 2HB LYS 93 19.306 3.863 9.362 717 HB3 LYS 93 3HB LYS 93 19.538 2.353 10.232 718 HG2 LYS 93 2HG LYS 93 20.648 3.972 11.503 719 HG3 LYS 93 3HG LYS 93 21.925 3.122 10.630 720 HD2 LYS 93 2HD LYS 93 22.575 5.268 10.220 721 HD3 LYS 93 3HD LYS 93 21.471 5.048 8.859 722 HE2 LYS 93 2HE LYS 93 19.857 6.388 9.777 723 HE3 LYS 93 3HE LYS 93 20.360 6.045 11.432 724 HZ1 LYS 93 3HZ LYS 93 21.018 8.253 9.864 725 HZ2 LYS 93 1HZ LYS 93 22.445 7.376 10.105 726 HZ3 LYS 93 2HZ LYS 93 21.540 7.900 11.434 727 H ALA 94 H ALA 94 19.980 0.136 9.116 728 HA ALA 94 HA ALA 94 22.384 -0.701 10.314 729 HB1 ALA 94 1HB ALA 94 21.335 -3.037 9.932 730 HB2 ALA 94 2HB ALA 94 20.521 -1.894 11.001 731 HB3 ALA 94 3HB ALA 94 19.937 -2.130 9.354 732 H THR 95 H THR 95 21.128 -1.056 7.039 733 HA THR 95 HA THR 95 23.121 -2.846 6.116 734 HB THR 95 HB THR 95 21.315 -0.942 4.621 735 HG1 THR 95 HG1 THR 95 20.010 -2.536 5.162 736 HG21 THR 95 3HG2 THR 95 23.612 -2.458 3.690 737 HG22 THR 95 1HG2 THR 95 22.657 -1.234 2.855 738 HG23 THR 95 2HG2 THR 95 22.128 -2.916 2.855 739 H ALA 96 H ALA 96 22.796 0.684 5.952 740 HA ALA 96 HA ALA 96 25.174 1.127 4.481 741 HB1 ALA 96 1HB ALA 96 23.187 2.710 4.851 742 HB2 ALA 96 2HB ALA 96 23.992 3.139 6.361 743 HB3 ALA 96 3HB ALA 96 24.809 3.403 4.821 744 H GLU 97 H GLU 97 24.450 1.348 7.959 745 HA GLU 97 HA GLU 97 27.042 2.089 8.767 746 HB2 GLU 97 2HB GLU 97 26.306 1.787 10.956 747 HB3 GLU 97 3HB GLU 97 24.819 2.141 10.088 748 HG2 GLU 97 2HG GLU 97 24.151 0.362 11.342 749 HG3 GLU 97 3HG GLU 97 24.683 -0.466 9.879 750 H LYS 98 H LYS 98 25.573 -1.015 8.107 751 HA LYS 98 HA LYS 98 27.389 -2.713 9.359 752 HB2 LYS 98 2HB LYS 98 25.394 -2.929 7.225 753 HB3 LYS 98 3HB LYS 98 26.723 -4.068 7.056 754 HG2 LYS 98 2HG LYS 98 25.779 -3.987 9.777 755 HG3 LYS 98 3HG LYS 98 24.463 -4.339 8.653 756 HD2 LYS 98 2HD LYS 98 25.800 -6.150 7.674 757 HD3 LYS 98 3HD LYS 98 27.098 -5.804 8.819 758 HE2 LYS 98 2HE LYS 98 25.395 -6.213 10.652 759 HE3 LYS 98 3HE LYS 98 24.338 -6.856 9.395 760 HZ1 LYS 98 3HZ LYS 98 27.081 -7.877 9.859 761 HZ2 LYS 98 1HZ LYS 98 25.850 -8.585 8.939 762 HZ3 LYS 98 2HZ LYS 98 25.720 -8.529 10.624 763 H PHE 99 H PHE 99 27.550 -1.128 6.211 764 HA PHE 99 HA PHE 99 29.851 -2.453 5.264 765 HB2 PHE 99 2HB PHE 99 28.398 0.052 4.558 766 HB3 PHE 99 3HB PHE 99 30.034 -0.152 3.938 767 HD1 PHE 99 HD1 PHE 99 30.433 -2.643 2.964 768 HD2 PHE 99 HD2 PHE 99 26.707 -0.597 3.168 769 HE1 PHE 99 HE1 PHE 99 29.566 -4.046 1.138 770 HE2 PHE 99 HE2 PHE 99 25.833 -1.997 1.343 771 HZ PHE 99 HZ PHE 99 27.264 -3.724 0.325 772 H LYS 100 H LYS 100 29.396 0.315 7.353 773 HA LYS 100 HA LYS 100 31.984 1.387 7.258 774 HB2 LYS 100 2HB LYS 100 29.843 2.329 8.354 775 HB3 LYS 100 3HB LYS 100 30.306 1.370 9.754 776 HG2 LYS 100 2HG LYS 100 32.599 2.796 8.969 777 HG3 LYS 100 3HG LYS 100 31.250 3.935 8.929 778 HD2 LYS 100 2HD LYS 100 32.171 4.002 11.126 779 HD3 LYS 100 3HD LYS 100 30.635 3.138 11.229 780 HE2 LYS 100 2HE LYS 100 31.721 1.042 11.394 781 HE3 LYS 100 3HE LYS 100 33.274 1.727 10.920 782 HZ1 LYS 100 3HZ LYS 100 31.845 2.440 13.421 783 HZ2 LYS 100 1HZ LYS 100 33.416 2.887 12.982 784 HZ3 LYS 100 2HZ LYS 100 33.064 1.270 13.329 785 H ASN 101 H ASN 101 30.702 -1.402 8.889 786 HA ASN 101 HA ASN 101 32.685 -1.750 10.847 787 HB2 ASN 101 2HB ASN 101 31.106 -3.891 9.404 788 HB3 ASN 101 3HB ASN 101 31.934 -4.073 10.948 789 HD21 ASN 101 1HD2 ASN 101 29.166 -4.516 10.416 790 HD22 ASN 101 2HD2 ASN 101 28.273 -3.407 11.395 791 H LYS 102 H LYS 102 32.829 -2.032 7.463 792 HA LYS 102 HA LYS 102 35.263 -3.676 7.600 793 HB2 LYS 102 2HB LYS 102 33.223 -4.212 6.050 794 HB3 LYS 102 3HB LYS 102 33.898 -2.945 5.034 795 HG2 LYS 102 2HG LYS 102 36.110 -4.351 5.366 796 HG3 LYS 102 3HG LYS 102 34.949 -5.650 5.650 797 HD2 LYS 102 2HD LYS 102 35.288 -5.784 3.364 798 HD3 LYS 102 3HD LYS 102 33.838 -4.782 3.466 799 HE2 LYS 102 2HE LYS 102 35.350 -2.775 3.357 800 HE3 LYS 102 3HE LYS 102 36.674 -3.881 2.993 801 HZ1 LYS 102 3HZ LYS 102 34.329 -3.194 1.351 802 HZ2 LYS 102 1HZ LYS 102 35.098 -4.685 1.132 803 HZ3 LYS 102 2HZ LYS 102 35.962 -3.248 0.913 804 H GLY 103 H GLY 103 34.582 -0.582 7.858 805 HA2 GLY 103 2HA GLY 103 36.127 1.177 7.747 806 HA3 GLY 103 3HA GLY 103 37.095 0.227 6.629 807 H PHE 104 H PHE 104 33.818 1.638 6.724 808 HA PHE 104 HA PHE 104 34.380 2.935 4.159 809 HB2 PHE 104 2HB PHE 104 32.335 0.860 4.687 810 HB3 PHE 104 3HB PHE 104 31.798 2.253 3.754 811 HD1 PHE 104 HD2 PHE 104 34.674 -0.122 3.878 812 HD2 PHE 104 HD1 PHE 104 31.983 2.135 1.474 813 HE1 PHE 104 HE2 PHE 104 35.667 -1.102 1.852 814 HE2 PHE 104 HE1 PHE 104 32.971 1.158 -0.556 815 HZ PHE 104 HZ PHE 104 34.817 -0.462 -0.369 816 H LYS 105 H LYS 105 32.942 4.708 3.667 817 HA LYS 105 HA LYS 105 32.028 6.039 6.104 818 HB2 LYS 105 2HB LYS 105 33.497 7.384 4.798 819 HB3 LYS 105 3HB LYS 105 32.620 7.027 3.316 820 HG2 LYS 105 2HG LYS 105 32.147 9.277 4.041 821 HG3 LYS 105 3HG LYS 105 30.692 8.285 4.172 822 HD2 LYS 105 2HD LYS 105 30.812 9.597 6.150 823 HD3 LYS 105 3HD LYS 105 31.270 7.953 6.600 824 HE2 LYS 105 2HE LYS 105 33.666 8.657 6.328 825 HE3 LYS 105 3HE LYS 105 33.088 10.313 6.146 826 HZ1 LYS 105 3HZ LYS 105 33.011 8.581 8.529 827 HZ2 LYS 105 1HZ LYS 105 31.915 9.860 8.371 828 HZ3 LYS 105 2HZ LYS 105 33.577 10.168 8.383 829 H VAL 106 H VAL 106 29.946 6.520 6.521 830 HA VAL 106 HA VAL 106 27.952 5.748 4.491 831 HB VAL 106 HB VAL 106 27.626 5.729 7.495 832 HG11 VAL 106 1HG1 VAL 106 25.779 5.088 5.221 833 HG12 VAL 106 2HG1 VAL 106 25.548 4.379 6.821 834 HG13 VAL 106 3HG1 VAL 106 25.501 6.131 6.615 835 HG21 VAL 106 3HG2 VAL 106 27.753 3.358 7.405 836 HG22 VAL 106 1HG2 VAL 106 27.761 3.360 5.642 837 HG23 VAL 106 2HG2 VAL 106 29.155 3.975 6.531 838 H GLU 107 H GLU 107 26.648 7.291 3.755 839 HA GLU 107 HA GLU 107 26.250 9.704 5.391 840 HB2 GLU 107 2HB GLU 107 27.837 10.314 3.691 841 HB3 GLU 107 3HB GLU 107 26.861 9.563 2.437 842 HG2 GLU 107 2HG GLU 107 26.626 11.949 2.322 843 HG3 GLU 107 3HG GLU 107 25.100 11.232 2.838 844 H THR 108 H THR 108 24.242 10.701 5.227 845 HA THR 108 HA THR 108 22.188 9.155 3.783 846 HB THR 108 HB THR 108 20.674 10.273 5.653 847 HG1 THR 108 HG1 THR 108 21.737 10.888 7.394 848 HG21 THR 108 3HG2 THR 108 20.919 7.859 5.228 849 HG22 THR 108 1HG2 THR 108 20.851 8.220 6.953 850 HG23 THR 108 2HG2 THR 108 22.397 7.850 6.189 851 H ASP 109 H ASP 109 20.871 10.233 2.439 852 HA ASP 109 HA ASP 109 20.983 13.179 2.478 853 HB2 ASP 109 2HB ASP 109 22.172 12.115 0.537 854 HB3 ASP 109 3HB ASP 109 20.623 11.452 0.023 855 H MET 110 H MET 110 19.100 14.136 2.841 856 HA MET 110 HA MET 110 16.638 12.962 1.824 857 HB2 MET 110 2HB MET 110 16.869 12.003 4.072 858 HB3 MET 110 3HB MET 110 17.026 13.618 4.750 859 HG2 MET 110 2HG MET 110 14.737 14.106 3.827 860 HG3 MET 110 3HG MET 110 14.608 12.386 3.466 861 HE1 MET 110 3HE MET 110 13.272 14.830 5.752 862 HE2 MET 110 1HE MET 110 12.360 13.482 5.073 863 HE3 MET 110 2HE MET 110 12.534 13.636 6.821 Start of MODEL 11 1 H1 MET 1 H MET 1 2.045 -0.285 1.067 2 HA MET 1 HA MET 1 1.499 -0.605 -1.733 3 HB2 MET 1 2HB MET 1 3.153 1.460 -2.123 4 HB3 MET 1 3HB MET 1 1.404 1.641 -2.091 5 HG2 MET 1 2HG MET 1 2.487 3.367 -0.778 6 HG3 MET 1 3HG MET 1 1.502 2.320 0.242 7 HE1 MET 1 3HE MET 1 5.365 0.904 -0.718 8 HE2 MET 1 1HE MET 1 4.795 2.400 -1.460 9 HE3 MET 1 2HE MET 1 6.006 2.457 -0.179 10 H THR 2 H THR 2 3.647 -0.615 -2.992 11 HA THR 2 HA THR 2 5.615 -2.045 -1.343 12 HB THR 2 HB THR 2 5.747 -2.118 -4.320 13 HG1 THR 2 HG1 THR 2 4.011 -3.394 -4.509 14 HG21 THR 2 3HG2 THR 2 6.903 -3.503 -2.132 15 HG22 THR 2 1HG2 THR 2 7.181 -3.756 -3.854 16 HG23 THR 2 2HG2 THR 2 5.909 -4.653 -3.025 17 H LEU 3 H LEU 3 7.626 -1.287 -1.084 18 HA LEU 3 HA LEU 3 8.422 1.061 -2.676 19 HB2 LEU 3 2HB LEU 3 8.129 0.848 0.069 20 HB3 LEU 3 3HB LEU 3 9.867 0.701 -0.184 21 HG LEU 3 HG LEU 3 10.038 2.859 -1.071 22 HD11 LEU 3 1HD1 LEU 3 7.585 4.049 -1.243 23 HD12 LEU 3 2HD1 LEU 3 7.250 2.418 -1.821 24 HD13 LEU 3 3HD1 LEU 3 8.497 3.390 -2.600 25 HD21 LEU 3 3HD2 LEU 3 8.268 2.607 1.295 26 HD22 LEU 3 1HD2 LEU 3 8.450 4.208 0.579 27 HD23 LEU 3 2HD2 LEU 3 9.870 3.330 1.147 28 H CYS 4 H CYS 4 10.240 0.929 -3.832 29 HA CYS 4 HA CYS 4 12.065 -1.320 -3.289 30 HB2 CYS 4 2HB CYS 4 11.487 -0.117 -6.001 31 HB3 CYS 4 3HB CYS 4 12.468 -1.537 -5.661 32 HG CYS 4 HG CYS 4 9.422 -1.936 -4.451 33 H ALA 5 H ALA 5 14.303 -0.977 -3.921 34 HA ALA 5 HA ALA 5 15.102 1.833 -4.169 35 HB1 ALA 5 1HB ALA 5 16.953 0.590 -2.419 36 HB2 ALA 5 2HB ALA 5 15.884 1.956 -2.098 37 HB3 ALA 5 3HB ALA 5 15.332 0.311 -1.782 38 H MET 6 H MET 6 16.974 2.176 -5.308 39 HA MET 6 HA MET 6 18.237 -0.225 -6.458 40 HB2 MET 6 2HB MET 6 17.063 0.961 -8.179 41 HB3 MET 6 3HB MET 6 17.755 2.496 -7.672 42 HG2 MET 6 2HG MET 6 20.008 1.545 -8.279 43 HG3 MET 6 3HG MET 6 19.142 0.203 -9.023 44 HE1 MET 6 3HE MET 6 18.338 0.146 -11.297 45 HE2 MET 6 1HE MET 6 16.892 1.011 -10.775 46 HE3 MET 6 2HE MET 6 17.744 1.519 -12.233 47 H TYR 7 H TYR 7 20.286 -0.543 -5.917 48 HA TYR 7 HA TYR 7 21.908 1.786 -5.124 49 HB2 TYR 7 2HB TYR 7 23.048 0.403 -3.497 50 HB3 TYR 7 3HB TYR 7 21.314 0.316 -3.209 51 HD1 TYR 7 HD1 TYR 7 20.056 -1.722 -4.028 52 HD2 TYR 7 HD2 TYR 7 24.305 -1.544 -3.911 53 HE1 TYR 7 HE1 TYR 7 20.156 -4.177 -4.140 54 HE2 TYR 7 HE2 TYR 7 24.417 -3.999 -4.024 55 HH TYR 7 HH TYR 7 22.094 -5.980 -3.306 56 H ASN 8 H ASN 8 24.093 1.790 -5.714 57 HA ASN 8 HA ASN 8 24.843 -0.217 -7.737 58 HB2 ASN 8 2HB ASN 8 25.822 2.626 -7.815 59 HB3 ASN 8 3HB ASN 8 25.795 1.435 -9.112 60 HD21 ASN 8 1HD2 ASN 8 24.769 4.114 -9.159 61 HD22 ASN 8 2HD2 ASN 8 23.075 3.998 -9.479 62 H ILE 9 H ILE 9 26.807 -1.141 -7.546 63 HA ILE 9 HA ILE 9 28.546 -0.160 -5.379 64 HB ILE 9 HB ILE 9 29.438 -2.587 -5.456 65 HG12 ILE 9 2HG1 ILE 9 26.732 -2.925 -6.765 66 HG13 ILE 9 3HG1 ILE 9 28.294 -3.285 -7.492 67 HG21 ILE 9 1HG2 ILE 9 28.260 -2.951 -3.574 68 HG22 ILE 9 2HG2 ILE 9 27.691 -1.305 -3.843 69 HG23 ILE 9 3HG2 ILE 9 26.709 -2.673 -4.366 70 HD11 ILE 9 3HD1 ILE 9 27.841 -5.374 -6.842 71 HD12 ILE 9 1HD1 ILE 9 28.397 -4.816 -5.265 72 HD13 ILE 9 2HD1 ILE 9 26.671 -4.853 -5.629 73 H SER 10 H SER 10 30.567 0.416 -5.868 74 HA SER 10 HA SER 10 31.552 -0.195 -8.576 75 HB2 SER 10 2HB SER 10 31.115 2.257 -7.774 76 HB3 SER 10 3HB SER 10 32.638 2.053 -6.909 77 HG SER 10 HG SER 10 32.957 2.924 -8.998 78 H MET 11 H MET 11 33.252 -1.491 -8.732 79 HA MET 11 HA MET 11 34.690 -2.268 -6.336 80 HB2 MET 11 2HB MET 11 35.665 -4.012 -7.696 81 HB3 MET 11 3HB MET 11 33.931 -3.961 -7.981 82 HG2 MET 11 2HG MET 11 35.538 -2.329 -9.814 83 HG3 MET 11 3HG MET 11 35.809 -4.066 -9.920 84 HE1 MET 11 3HE MET 11 34.125 -3.467 -12.913 85 HE2 MET 11 1HE MET 11 33.408 -1.940 -12.400 86 HE3 MET 11 2HE MET 11 35.094 -2.293 -12.021 87 H ALA 12 H ALA 12 34.987 0.189 -8.488 88 HA ALA 12 HA ALA 12 37.494 1.029 -7.608 89 HB1 ALA 12 1HB ALA 12 37.794 -1.029 -9.422 90 HB2 ALA 12 2HB ALA 12 38.036 0.422 -10.396 91 HB3 ALA 12 3HB ALA 12 39.028 0.146 -8.964 92 H GLY 13 H GLY 13 38.450 2.441 -9.802 93 HA2 GLY 13 2HA GLY 13 36.400 4.482 -10.014 94 HA3 GLY 13 3HA GLY 13 38.071 4.620 -10.540 95 H SER 14 H SER 14 35.694 2.147 -11.418 96 HA SER 14 HA SER 14 35.685 3.199 -14.162 97 HB2 SER 14 2HB SER 14 36.171 0.332 -13.330 98 HB3 SER 14 3HB SER 14 35.788 0.820 -14.980 99 HG SER 14 HG SER 14 38.129 0.637 -14.157 100 H HIS 15 H HIS 15 33.884 2.402 -15.471 101 HA HIS 15 HA HIS 15 31.428 2.879 -14.666 102 HB2 HIS 15 2HB HIS 15 32.202 1.895 -16.919 103 HB3 HIS 15 3HB HIS 15 31.841 0.326 -16.207 104 HD1 HIS 15 HD1 HIS 15 29.789 3.502 -15.898 105 HD2 HIS 15 HD2 HIS 15 29.536 -0.322 -17.504 106 HE1 HIS 15 HE1 HIS 15 27.425 3.274 -16.723 107 HA PRO 16 HA PRO 16 31.023 0.096 -11.134 108 HB2 PRO 16 2HB PRO 16 28.915 1.425 -10.055 109 HB3 PRO 16 3HB PRO 16 30.590 1.953 -9.853 110 HG2 PRO 16 2HG PRO 16 28.508 2.946 -11.761 111 HG3 PRO 16 3HG PRO 16 29.670 3.871 -10.793 112 HD2 PRO 16 2HD PRO 16 30.050 3.353 -13.424 113 HD3 PRO 16 3HD PRO 16 31.396 3.492 -12.274 114 H THR 17 H THR 17 28.843 -0.798 -10.120 115 HA THR 17 HA THR 17 27.193 -1.744 -12.373 116 HB THR 17 HB THR 17 27.495 -3.261 -9.796 117 HG1 THR 17 HG1 THR 17 29.306 -3.045 -11.932 118 HG21 THR 17 3HG2 THR 17 26.826 -5.144 -11.116 119 HG22 THR 17 1HG2 THR 17 26.973 -4.219 -12.609 120 HG23 THR 17 2HG2 THR 17 25.701 -3.829 -11.452 121 H THR 18 H THR 18 25.034 -1.514 -12.267 122 HA THR 18 HA THR 18 23.932 -0.274 -9.839 123 HB THR 18 HB THR 18 22.895 -0.233 -12.679 124 HG1 THR 18 HG1 THR 18 24.419 1.293 -12.629 125 HG21 THR 18 3HG2 THR 18 21.499 1.678 -11.339 126 HG22 THR 18 1HG2 THR 18 21.631 0.424 -10.107 127 HG23 THR 18 2HG2 THR 18 20.900 0.052 -11.668 128 H ILE 19 H ILE 19 22.121 -1.085 -8.844 129 HA ILE 19 HA ILE 19 20.838 -3.456 -9.972 130 HB ILE 19 HB ILE 19 22.480 -3.412 -7.503 131 HG12 ILE 19 2HG1 ILE 19 21.789 -5.347 -9.694 132 HG13 ILE 19 3HG1 ILE 19 23.369 -4.739 -9.212 133 HG21 ILE 19 1HG2 ILE 19 21.135 -5.192 -6.465 134 HG22 ILE 19 2HG2 ILE 19 20.264 -3.662 -6.558 135 HG23 ILE 19 3HG2 ILE 19 19.897 -4.956 -7.698 136 HD11 ILE 19 3HD1 ILE 19 21.674 -6.770 -7.789 137 HD12 ILE 19 1HD1 ILE 19 23.238 -7.016 -8.567 138 HD13 ILE 19 2HD1 ILE 19 23.126 -6.046 -7.097 139 H CYS 20 H CYS 20 18.705 -3.617 -9.498 140 HA CYS 20 HA CYS 20 17.608 -1.703 -7.546 141 HB2 CYS 20 2HB CYS 20 17.096 -0.875 -9.753 142 HB3 CYS 20 3HB CYS 20 16.510 -2.454 -10.260 143 HG CYS 20 HG CYS 20 14.410 -2.298 -8.215 144 H VAL 21 H VAL 21 16.691 -2.726 -5.906 145 HA VAL 21 HA VAL 21 15.041 -5.085 -6.430 146 HB VAL 21 HB VAL 21 15.986 -6.224 -4.420 147 HG11 VAL 21 1HG1 VAL 21 16.669 -7.047 -6.532 148 HG12 VAL 21 2HG1 VAL 21 17.770 -5.691 -6.785 149 HG13 VAL 21 3HG1 VAL 21 18.133 -6.908 -5.560 150 HG21 VAL 21 3HG2 VAL 21 18.110 -5.531 -3.519 151 HG22 VAL 21 1HG2 VAL 21 18.206 -4.198 -4.669 152 HG23 VAL 21 2HG2 VAL 21 16.975 -4.186 -3.406 153 H VAL 22 H VAL 22 13.403 -5.449 -4.905 154 HA VAL 22 HA VAL 22 12.355 -3.126 -3.674 155 HB VAL 22 HB VAL 22 10.989 -5.048 -4.526 156 HG11 VAL 22 1HG1 VAL 22 10.891 -7.082 -3.491 157 HG12 VAL 22 2HG1 VAL 22 12.581 -6.674 -3.184 158 HG13 VAL 22 3HG1 VAL 22 11.371 -6.433 -1.923 159 HG21 VAL 22 3HG2 VAL 22 10.453 -4.329 -1.647 160 HG22 VAL 22 1HG2 VAL 22 10.098 -3.284 -3.023 161 HG23 VAL 22 2HG2 VAL 22 9.270 -4.832 -2.854 162 H MET 23 H MET 23 11.918 -2.766 -1.430 163 HA MET 23 HA MET 23 14.109 -2.989 0.248 164 HB2 MET 23 2HB MET 23 12.377 -1.355 0.658 165 HB3 MET 23 3HB MET 23 11.192 -2.623 0.944 166 HG2 MET 23 2HG MET 23 13.463 -2.913 2.694 167 HG3 MET 23 3HG MET 23 12.748 -1.309 2.834 168 HE1 MET 23 3HE MET 23 12.999 -4.611 3.713 169 HE2 MET 23 1HE MET 23 12.119 -4.454 5.233 170 HE3 MET 23 2HE MET 23 11.411 -5.359 3.895 171 H ASP 24 H ASP 24 11.319 -5.116 -0.086 172 HA ASP 24 HA ASP 24 11.739 -6.740 2.148 173 HB2 ASP 24 2HB ASP 24 9.724 -6.724 0.607 174 HB3 ASP 24 3HB ASP 24 10.673 -7.706 -0.506 175 H ARG 25 H ARG 25 13.158 -6.839 -1.072 176 HA ARG 25 HA ARG 25 14.733 -9.194 -0.337 177 HB2 ARG 25 2HB ARG 25 14.276 -7.789 -2.967 178 HB3 ARG 25 3HB ARG 25 15.453 -9.080 -2.765 179 HG2 ARG 25 2HG ARG 25 13.291 -10.289 -1.743 180 HG3 ARG 25 3HG ARG 25 12.510 -9.195 -2.887 181 HD2 ARG 25 2HD ARG 25 12.884 -10.948 -4.284 182 HD3 ARG 25 3HD ARG 25 14.427 -10.118 -4.477 183 HE ARG 25 HE ARG 25 14.810 -11.839 -2.384 184 HH11 ARG 25 1HH1 ARG 25 13.806 -12.149 -5.703 185 HH12 ARG 25 2HH1 ARG 25 14.459 -13.742 -5.888 186 HH21 ARG 25 1HH2 ARG 25 15.674 -13.937 -2.615 187 HH22 ARG 25 2HH2 ARG 25 15.521 -14.759 -4.131 188 H PHE 26 H PHE 26 14.962 -5.821 -0.458 189 HA PHE 26 HA PHE 26 17.656 -5.453 -1.173 190 HB2 PHE 26 2HB PHE 26 16.030 -3.608 -1.047 191 HB3 PHE 26 3HB PHE 26 15.955 -3.795 0.702 192 HD1 PHE 26 HD1 PHE 26 18.869 -3.790 -1.614 193 HD2 PHE 26 HD2 PHE 26 16.856 -1.877 1.611 194 HE1 PHE 26 HE1 PHE 26 20.753 -2.226 -1.371 195 HE2 PHE 26 HE2 PHE 26 18.736 -0.309 1.859 196 HZ PHE 26 HZ PHE 26 20.688 -0.483 0.367 197 H LEU 27 H LEU 27 16.115 -6.009 1.967 198 HA LEU 27 HA LEU 27 18.363 -5.695 3.590 199 HB2 LEU 27 2HB LEU 27 16.033 -5.885 4.392 200 HB3 LEU 27 3HB LEU 27 16.063 -7.602 3.994 201 HG LEU 27 HG LEU 27 18.091 -6.520 5.898 202 HD11 LEU 27 1HD1 LEU 27 15.676 -7.527 7.179 203 HD12 LEU 27 2HD1 LEU 27 15.432 -6.001 6.330 204 HD13 LEU 27 3HD1 LEU 27 16.674 -6.128 7.575 205 HD21 LEU 27 3HD2 LEU 27 17.009 -8.956 6.733 206 HD22 LEU 27 1HD2 LEU 27 18.567 -8.689 5.950 207 HD23 LEU 27 2HD2 LEU 27 17.148 -9.081 4.979 208 H GLU 28 H GLU 28 17.056 -8.646 2.092 209 HA GLU 28 HA GLU 28 19.124 -10.338 3.053 210 HB2 GLU 28 2HB GLU 28 16.744 -10.897 2.087 211 HB3 GLU 28 3HB GLU 28 17.601 -10.959 0.554 212 HG2 GLU 28 2HG GLU 28 17.793 -13.132 1.135 213 HG3 GLU 28 3HG GLU 28 19.223 -12.516 1.962 214 H SER 29 H SER 29 18.570 -8.707 -0.047 215 HA SER 29 HA SER 29 20.740 -9.741 -1.453 216 HB2 SER 29 2HB SER 29 20.428 -7.969 -2.999 217 HB3 SER 29 3HB SER 29 18.828 -8.289 -2.331 218 HG SER 29 HG SER 29 20.431 -6.062 -2.093 219 H PHE 30 H PHE 30 20.553 -6.989 0.750 220 HA PHE 30 HA PHE 30 23.188 -6.050 0.305 221 HB2 PHE 30 2HB PHE 30 22.291 -4.364 1.473 222 HB3 PHE 30 3HB PHE 30 20.957 -5.382 2.005 223 HD1 PHE 30 HD2 PHE 30 24.522 -4.629 2.754 224 HD2 PHE 30 HD1 PHE 30 20.750 -5.926 4.240 225 HE1 PHE 30 HE2 PHE 30 25.417 -4.594 5.045 226 HE2 PHE 30 HE1 PHE 30 21.639 -5.892 6.534 227 HZ PHE 30 HZ PHE 30 23.976 -5.227 6.939 228 H SER 31 H SER 31 21.780 -8.178 2.770 229 HA SER 31 HA SER 31 24.028 -8.556 4.354 230 HB2 SER 31 2HB SER 31 21.778 -9.359 4.964 231 HB3 SER 31 3HB SER 31 21.877 -10.586 3.701 232 HG SER 31 HG SER 31 23.470 -10.365 6.034 233 H GLU 32 H GLU 32 22.980 -10.392 1.499 234 HA GLU 32 HA GLU 32 25.253 -12.128 1.543 235 HB2 GLU 32 2HB GLU 32 22.932 -12.558 0.501 236 HB3 GLU 32 3HB GLU 32 23.524 -11.625 -0.866 237 HG2 GLU 32 2HG GLU 32 23.936 -13.825 -1.470 238 HG3 GLU 32 3HG GLU 32 25.496 -13.250 -0.887 239 H LEU 33 H LEU 33 24.348 -9.230 -0.266 240 HA LEU 33 HA LEU 33 26.431 -9.176 -2.107 241 HB2 LEU 33 2HB LEU 33 24.527 -7.679 -2.232 242 HB3 LEU 33 3HB LEU 33 25.031 -6.878 -0.745 243 HG LEU 33 HG LEU 33 25.480 -5.745 -3.035 244 HD11 LEU 33 1HD1 LEU 33 27.857 -5.922 -1.222 245 HD12 LEU 33 2HD1 LEU 33 26.353 -5.173 -0.686 246 HD13 LEU 33 3HD1 LEU 33 27.213 -4.523 -2.082 247 HD21 LEU 33 3HD2 LEU 33 28.077 -7.162 -2.990 248 HD22 LEU 33 1HD2 LEU 33 27.179 -6.475 -4.344 249 HD23 LEU 33 2HD2 LEU 33 26.702 -8.034 -3.671 250 H TYR 34 H TYR 34 26.326 -8.047 1.235 251 HA TYR 34 HA TYR 34 28.847 -6.770 1.236 252 HB2 TYR 34 2HB TYR 34 27.343 -6.213 2.987 253 HB3 TYR 34 3HB TYR 34 27.127 -7.900 3.440 254 HD1 TYR 34 HD2 TYR 34 29.477 -5.053 3.521 255 HD2 TYR 34 HD1 TYR 34 28.636 -8.976 4.938 256 HE1 TYR 34 HE2 TYR 34 31.260 -4.822 5.199 257 HE2 TYR 34 HE1 TYR 34 30.416 -8.755 6.621 258 HH TYR 34 HH TYR 34 31.551 -6.486 7.813 259 H ASP 35 H ASP 35 27.841 -10.084 1.722 260 HA ASP 35 HA ASP 35 30.330 -11.002 2.779 261 HB2 ASP 35 2HB ASP 35 27.744 -12.088 2.326 262 HB3 ASP 35 3HB ASP 35 28.903 -13.121 1.493 263 H ILE 36 H ILE 36 29.002 -10.584 -0.417 264 HA ILE 36 HA ILE 36 31.218 -12.028 -1.647 265 HB ILE 36 HB ILE 36 29.070 -12.433 -2.645 266 HG12 ILE 36 2HG1 ILE 36 31.296 -11.735 -4.044 267 HG13 ILE 36 3HG1 ILE 36 29.829 -12.373 -4.777 268 HG21 ILE 36 1HG2 ILE 36 27.837 -10.507 -1.990 269 HG22 ILE 36 2HG2 ILE 36 28.900 -9.440 -2.906 270 HG23 ILE 36 3HG2 ILE 36 27.829 -10.555 -3.753 271 HD11 ILE 36 3HD1 ILE 36 30.301 -9.434 -4.405 272 HD12 ILE 36 1HD1 ILE 36 30.823 -10.316 -5.840 273 HD13 ILE 36 2HD1 ILE 36 29.109 -10.232 -5.430 274 H ILE 37 H ILE 37 30.268 -8.823 -0.862 275 HA ILE 37 HA ILE 37 31.600 -7.343 -2.825 276 HB ILE 37 HB ILE 37 30.020 -6.509 -0.977 277 HG12 ILE 37 2HG1 ILE 37 31.272 -4.264 -0.913 278 HG13 ILE 37 3HG1 ILE 37 32.511 -5.067 -1.871 279 HG21 ILE 37 1HG2 ILE 37 31.959 -7.425 0.694 280 HG22 ILE 37 2HG2 ILE 37 32.340 -5.705 0.622 281 HG23 ILE 37 3HG2 ILE 37 30.736 -6.232 1.132 282 HD11 ILE 37 3HD1 ILE 37 29.752 -4.269 -2.616 283 HD12 ILE 37 1HD1 ILE 37 31.260 -4.115 -3.517 284 HD13 ILE 37 2HD1 ILE 37 30.462 -5.683 -3.393 285 H ASP 38 H ASP 38 32.838 -9.280 -0.297 286 HA ASP 38 HA ASP 38 35.294 -7.970 0.180 287 HB2 ASP 38 2HB ASP 38 34.129 -9.924 1.468 288 HB3 ASP 38 3HB ASP 38 35.018 -10.951 0.347 289 H GLU 39 H GLU 39 34.152 -9.885 -2.437 290 HA GLU 39 HA GLU 39 36.795 -10.569 -3.404 291 HB2 GLU 39 2HB GLU 39 34.008 -11.213 -4.153 292 HB3 GLU 39 3HB GLU 39 35.160 -11.157 -5.479 293 HG2 GLU 39 2HG GLU 39 36.508 -12.846 -4.484 294 HG3 GLU 39 3HG GLU 39 35.579 -12.784 -2.987 295 H ASN 40 H ASN 40 37.042 -10.148 -5.916 296 HA ASN 40 HA ASN 40 36.206 -7.438 -6.614 297 HB2 ASN 40 2HB ASN 40 38.425 -7.313 -5.424 298 HB3 ASN 40 3HB ASN 40 39.111 -8.267 -6.736 299 HD21 ASN 40 1HD2 ASN 40 40.420 -6.834 -7.685 300 HD22 ASN 40 2HD2 ASN 40 39.911 -5.326 -8.357 301 H ASP 41 H ASP 41 36.020 -10.413 -7.489 302 HA ASP 41 HA ASP 41 37.109 -10.332 -10.166 303 HB2 ASP 41 2HB ASP 41 35.454 -12.354 -8.660 304 HB3 ASP 41 3HB ASP 41 35.855 -12.549 -10.364 305 H THR 42 H THR 42 36.050 -9.871 -12.010 306 HA THR 42 HA THR 42 33.572 -8.484 -11.880 307 HB THR 42 HB THR 42 33.753 -8.176 -14.236 308 HG1 THR 42 HG1 THR 42 34.753 -9.568 -15.533 309 HG21 THR 42 3HG2 THR 42 36.608 -8.320 -13.285 310 HG22 THR 42 1HG2 THR 42 35.482 -7.074 -12.747 311 HG23 THR 42 2HG2 THR 42 35.907 -7.202 -14.455 312 H ASP 43 H ASP 43 34.511 -11.735 -12.856 313 HA ASP 43 HA ASP 43 32.040 -12.490 -13.998 314 HB2 ASP 43 2HB ASP 43 34.380 -13.648 -14.097 315 HB3 ASP 43 3HB ASP 43 33.840 -14.462 -12.631 316 H VAL 44 H VAL 44 33.361 -12.841 -10.727 317 HA VAL 44 HA VAL 44 31.130 -14.253 -9.681 318 HB VAL 44 HB VAL 44 33.295 -12.661 -8.307 319 HG11 VAL 44 1HG1 VAL 44 32.301 -14.362 -6.417 320 HG12 VAL 44 2HG1 VAL 44 31.915 -12.645 -6.541 321 HG13 VAL 44 3HG1 VAL 44 30.837 -13.846 -7.252 322 HG21 VAL 44 3HG2 VAL 44 34.526 -14.531 -8.322 323 HG22 VAL 44 1HG2 VAL 44 33.148 -15.546 -7.897 324 HG23 VAL 44 2HG2 VAL 44 33.423 -15.090 -9.579 325 H MET 45 H MET 45 32.025 -10.835 -9.778 326 HA MET 45 HA MET 45 29.858 -9.939 -8.167 327 HB2 MET 45 2HB MET 45 31.992 -8.709 -9.784 328 HB3 MET 45 3HB MET 45 30.520 -7.754 -9.657 329 HG2 MET 45 2HG MET 45 30.737 -8.236 -7.117 330 HG3 MET 45 3HG MET 45 32.413 -8.605 -7.515 331 HE1 MET 45 3HE MET 45 29.669 -5.875 -8.408 332 HE2 MET 45 1HE MET 45 29.868 -5.941 -6.656 333 HE3 MET 45 2HE MET 45 30.375 -4.506 -7.547 334 H MET 46 H MET 46 30.395 -10.107 -11.671 335 HA MET 46 HA MET 46 27.935 -8.926 -12.407 336 HB2 MET 46 2HB MET 46 28.444 -9.567 -14.617 337 HB3 MET 46 3HB MET 46 30.004 -9.273 -13.859 338 HG2 MET 46 2HG MET 46 30.338 -11.652 -13.557 339 HG3 MET 46 3HG MET 46 28.744 -11.979 -14.233 340 HE1 MET 46 3HE MET 46 32.006 -9.932 -16.767 341 HE2 MET 46 1HE MET 46 30.991 -9.115 -15.578 342 HE3 MET 46 2HE MET 46 32.225 -10.258 -15.047 343 H ASP 47 H ASP 47 28.909 -12.246 -11.763 344 HA ASP 47 HA ASP 47 26.503 -13.451 -12.683 345 HB2 ASP 47 2HB ASP 47 28.430 -14.842 -12.541 346 HB3 ASP 47 3HB ASP 47 28.707 -14.405 -10.857 347 H PHE 48 H PHE 48 27.648 -12.383 -9.510 348 HA PHE 48 HA PHE 48 25.352 -13.315 -8.099 349 HB2 PHE 48 2HB PHE 48 27.370 -13.042 -6.852 350 HB3 PHE 48 3HB PHE 48 27.548 -11.373 -7.381 351 HD1 PHE 48 HD2 PHE 48 26.159 -9.610 -6.426 352 HD2 PHE 48 HD1 PHE 48 25.899 -13.632 -5.056 353 HE1 PHE 48 HE2 PHE 48 24.965 -8.844 -4.415 354 HE2 PHE 48 HE1 PHE 48 24.704 -12.873 -3.044 355 HZ PHE 48 HZ PHE 48 24.235 -10.476 -2.721 356 H ILE 49 H ILE 49 26.378 -10.149 -9.322 357 HA ILE 49 HA ILE 49 24.220 -8.656 -8.334 358 HB ILE 49 HB ILE 49 26.271 -8.259 -10.426 359 HG12 ILE 49 2HG1 ILE 49 26.359 -6.016 -9.235 360 HG13 ILE 49 3HG1 ILE 49 25.146 -6.653 -8.130 361 HG21 ILE 49 1HG2 ILE 49 23.624 -6.842 -10.456 362 HG22 ILE 49 2HG2 ILE 49 25.087 -6.114 -11.119 363 HG23 ILE 49 3HG2 ILE 49 24.470 -7.623 -11.791 364 HD11 ILE 49 3HD1 ILE 49 26.939 -8.616 -7.956 365 HD12 ILE 49 1HD1 ILE 49 28.018 -7.282 -8.364 366 HD13 ILE 49 2HD1 ILE 49 26.985 -7.177 -6.938 367 H SER 50 H SER 50 24.685 -10.191 -11.511 368 HA SER 50 HA SER 50 22.196 -9.421 -12.583 369 HB2 SER 50 2HB SER 50 24.288 -10.389 -13.776 370 HB3 SER 50 3HB SER 50 23.595 -11.961 -13.381 371 HG SER 50 HG SER 50 23.032 -10.738 -15.478 372 H ARG 51 H ARG 51 23.213 -12.236 -10.726 373 HA ARG 51 HA ARG 51 20.753 -13.651 -11.014 374 HB2 ARG 51 2HB ARG 51 22.996 -14.666 -10.438 375 HB3 ARG 51 3HB ARG 51 22.798 -14.000 -8.823 376 HG2 ARG 51 2HG ARG 51 22.117 -16.252 -8.705 377 HG3 ARG 51 3HG ARG 51 20.639 -15.288 -8.680 378 HD2 ARG 51 2HD ARG 51 20.448 -15.669 -11.144 379 HD3 ARG 51 3HD ARG 51 21.809 -16.783 -11.020 380 HE ARG 51 HE ARG 51 19.964 -17.643 -9.167 381 HH11 ARG 51 1HH1 ARG 51 20.049 -17.148 -12.612 382 HH12 ARG 51 2HH1 ARG 51 18.902 -18.401 -12.952 383 HH21 ARG 51 1HH2 ARG 51 18.453 -19.296 -9.602 384 HH22 ARG 51 2HH2 ARG 51 17.994 -19.622 -11.239 385 H PHE 52 H PHE 52 21.964 -11.236 -8.818 386 HA PHE 52 HA PHE 52 19.703 -11.594 -7.007 387 HB2 PHE 52 2HB PHE 52 22.318 -10.190 -6.878 388 HB3 PHE 52 3HB PHE 52 20.991 -9.482 -5.963 389 HD1 PHE 52 HD1 PHE 52 21.877 -13.039 -6.615 390 HD2 PHE 52 HD2 PHE 52 21.388 -9.940 -3.738 391 HE1 PHE 52 HE1 PHE 52 22.266 -14.661 -4.806 392 HE2 PHE 52 HE2 PHE 52 21.777 -11.557 -1.925 393 HZ PHE 52 HZ PHE 52 22.218 -13.921 -2.458 394 H ALA 53 H ALA 53 20.437 -9.892 -9.790 395 HA ALA 53 HA ALA 53 18.722 -7.615 -9.128 396 HB1 ALA 53 1HB ALA 53 20.584 -6.796 -10.212 397 HB2 ALA 53 2HB ALA 53 20.686 -8.177 -11.305 398 HB3 ALA 53 3HB ALA 53 19.438 -6.954 -11.544 399 H ARG 54 H ARG 54 16.976 -7.006 -10.538 400 HA ARG 54 HA ARG 54 15.874 -9.216 -12.135 401 HB2 ARG 54 2HB ARG 54 14.622 -7.744 -9.866 402 HB3 ARG 54 3HB ARG 54 13.595 -8.195 -11.220 403 HG2 ARG 54 2HG ARG 54 15.325 -10.152 -9.731 404 HG3 ARG 54 3HG ARG 54 13.641 -9.820 -9.319 405 HD2 ARG 54 2HD ARG 54 14.566 -10.741 -12.035 406 HD3 ARG 54 3HD ARG 54 13.984 -11.825 -10.772 407 HE ARG 54 HE ARG 54 12.095 -9.777 -11.267 408 HH11 ARG 54 1HH1 ARG 54 13.379 -12.712 -12.630 409 HH12 ARG 54 2HH1 ARG 54 11.930 -13.098 -13.497 410 HH21 ARG 54 1HH2 ARG 54 10.181 -10.274 -12.403 411 HH22 ARG 54 2HH2 ARG 54 10.111 -11.710 -13.368 412 H THR 55 H THR 55 15.304 -8.623 -14.120 413 HA THR 55 HA THR 55 15.530 -5.889 -14.945 414 HB THR 55 HB THR 55 15.033 -6.684 -17.183 415 HG1 THR 55 HG1 THR 55 14.563 -9.253 -16.052 416 HG21 THR 55 3HG2 THR 55 17.152 -7.362 -17.259 417 HG22 THR 55 1HG2 THR 55 16.650 -8.956 -16.696 418 HG23 THR 55 2HG2 THR 55 17.121 -7.717 -15.532 419 H ASP 56 H ASP 56 13.735 -5.392 -13.260 420 HA ASP 56 HA ASP 56 11.191 -5.272 -14.731 421 HB2 ASP 56 2HB ASP 56 9.933 -5.662 -12.713 422 HB3 ASP 56 3HB ASP 56 11.093 -6.975 -12.903 423 H GLU 57 H GLU 57 9.690 -3.659 -13.325 424 HA GLU 57 HA GLU 57 11.301 -1.309 -12.616 425 HB2 GLU 57 2HB GLU 57 9.974 0.156 -13.947 426 HB3 GLU 57 3HB GLU 57 10.475 -1.168 -14.989 427 HG2 GLU 57 2HG GLU 57 8.267 -2.227 -14.626 428 HG3 GLU 57 3HG GLU 57 7.778 -0.805 -13.707 429 H ILE 58 H ILE 58 9.255 0.465 -12.129 430 HA ILE 58 HA ILE 58 7.912 -0.812 -9.844 431 HB ILE 58 HB ILE 58 7.627 1.633 -9.088 432 HG12 ILE 58 2HG1 ILE 58 8.504 2.331 -11.485 433 HG13 ILE 58 3HG1 ILE 58 8.871 3.306 -10.066 434 HG21 ILE 58 1HG2 ILE 58 10.085 1.647 -8.294 435 HG22 ILE 58 2HG2 ILE 58 9.037 0.319 -7.797 436 HG23 ILE 58 3HG2 ILE 58 10.190 0.087 -9.111 437 HD11 ILE 58 3HD1 ILE 58 11.072 2.686 -10.042 438 HD12 ILE 58 1HD1 ILE 58 10.765 1.158 -10.868 439 HD13 ILE 58 2HD1 ILE 58 10.736 2.672 -11.774 440 H MET 59 H MET 59 5.770 -0.990 -9.842 441 HA MET 59 HA MET 59 4.233 -0.020 -12.061 442 HB2 MET 59 2HB MET 59 3.861 -1.887 -9.849 443 HB3 MET 59 3HB MET 59 2.418 -0.939 -10.183 444 HG2 MET 59 2HG MET 59 2.716 -1.613 -12.609 445 HG3 MET 59 3HG MET 59 3.898 -2.783 -12.027 446 HE1 MET 59 3HE MET 59 3.629 -4.693 -11.009 447 HE2 MET 59 1HE MET 59 2.167 -5.512 -10.458 448 HE3 MET 59 2HE MET 59 2.545 -5.448 -12.179 449 HA PRO 60 HA PRO 60 2.538 3.699 -10.467 450 HB2 PRO 60 2HB PRO 60 -0.088 3.530 -11.137 451 HB3 PRO 60 3HB PRO 60 1.192 3.796 -12.327 452 HG2 PRO 60 2HG PRO 60 -0.220 1.258 -11.599 453 HG3 PRO 60 3HG PRO 60 0.216 1.875 -13.203 454 HD2 PRO 60 2HD PRO 60 1.662 -0.028 -11.931 455 HD3 PRO 60 3HD PRO 60 2.401 1.163 -13.021 456 H GLU 61 H GLU 61 1.408 0.697 -9.270 457 HA GLU 61 HA GLU 61 -0.322 1.850 -7.251 458 HB2 GLU 61 2HB GLU 61 -0.853 -0.365 -6.628 459 HB3 GLU 61 3HB GLU 61 -0.706 -0.396 -8.379 460 HG2 GLU 61 2HG GLU 61 1.603 -1.259 -8.119 461 HG3 GLU 61 3HG GLU 61 1.330 -1.345 -6.380 462 H ASP 62 H ASP 62 2.982 1.028 -7.603 463 HA ASP 62 HA ASP 62 3.385 1.373 -4.704 464 HB2 ASP 62 2HB ASP 62 5.633 0.095 -5.979 465 HB3 ASP 62 3HB ASP 62 4.644 -0.475 -4.638 466 H LYS 63 H LYS 63 6.132 1.658 -4.711 467 HA LYS 63 HA LYS 63 6.898 3.714 -6.584 468 HB2 LYS 63 2HB LYS 63 7.459 5.110 -4.317 469 HB3 LYS 63 3HB LYS 63 6.053 5.391 -5.336 470 HG2 LYS 63 2HG LYS 63 4.616 4.323 -3.878 471 HG3 LYS 63 3HG LYS 63 5.913 3.399 -3.115 472 HD2 LYS 63 2HD LYS 63 5.480 4.971 -1.492 473 HD3 LYS 63 3HD LYS 63 6.766 5.772 -2.399 474 HE2 LYS 63 2HE LYS 63 5.229 7.177 -3.518 475 HE3 LYS 63 3HE LYS 63 3.851 6.210 -2.996 476 HZ1 LYS 63 3HZ LYS 63 4.974 8.429 -1.729 477 HZ2 LYS 63 1HZ LYS 63 5.240 7.092 -0.726 478 HZ3 LYS 63 2HZ LYS 63 3.669 7.484 -1.214 479 H THR 64 H THR 64 9.083 4.743 -5.652 480 HA THR 64 HA THR 64 10.722 2.455 -4.779 481 HB THR 64 HB THR 64 11.182 4.577 -6.802 482 HG1 THR 64 HG1 THR 64 12.543 2.629 -7.509 483 HG21 THR 64 3HG2 THR 64 12.933 5.203 -5.320 484 HG22 THR 64 1HG2 THR 64 13.671 4.208 -6.575 485 HG23 THR 64 2HG2 THR 64 13.341 3.521 -4.984 486 H VAL 65 H VAL 65 11.452 2.613 -2.771 487 HA VAL 65 HA VAL 65 11.211 4.794 -1.092 488 HB VAL 65 HB VAL 65 11.613 2.730 -0.049 489 HG11 VAL 65 1HG1 VAL 65 12.625 1.345 -1.581 490 HG12 VAL 65 2HG1 VAL 65 13.890 2.514 -1.966 491 HG13 VAL 65 3HG1 VAL 65 13.947 1.619 -0.447 492 HG21 VAL 65 3HG2 VAL 65 14.346 3.649 0.457 493 HG22 VAL 65 1HG2 VAL 65 13.123 4.913 0.589 494 HG23 VAL 65 2HG2 VAL 65 12.991 3.452 1.568 495 H GLY 66 H GLY 66 13.889 3.907 -3.211 496 HA2 GLY 66 2HA GLY 66 14.847 6.324 -3.866 497 HA3 GLY 66 3HA GLY 66 15.527 6.107 -2.260 498 H PHE 67 H PHE 67 17.536 6.352 -3.609 499 HA PHE 67 HA PHE 67 18.412 3.687 -4.497 500 HB2 PHE 67 2HB PHE 67 19.907 4.935 -6.148 501 HB3 PHE 67 3HB PHE 67 18.189 4.876 -6.528 502 HD1 PHE 67 HD1 PHE 67 20.850 7.023 -5.116 503 HD2 PHE 67 HD2 PHE 67 16.939 6.842 -6.786 504 HE1 PHE 67 HE1 PHE 67 20.807 9.478 -5.272 505 HE2 PHE 67 HE2 PHE 67 16.890 9.297 -6.946 506 HZ PHE 67 HZ PHE 67 18.826 10.618 -6.189 507 H VAL 68 H VAL 68 20.548 3.133 -4.043 508 HA VAL 68 HA VAL 68 21.936 4.947 -2.177 509 HB VAL 68 HB VAL 68 21.807 1.931 -2.146 510 HG11 VAL 68 1HG1 VAL 68 23.810 3.776 -1.070 511 HG12 VAL 68 2HG1 VAL 68 23.158 2.641 0.114 512 HG13 VAL 68 3HG1 VAL 68 23.907 2.041 -1.367 513 HG21 VAL 68 3HG2 VAL 68 21.185 2.813 0.354 514 HG22 VAL 68 1HG2 VAL 68 20.499 4.088 -0.653 515 HG23 VAL 68 2HG2 VAL 68 20.005 2.412 -0.894 516 H VAL 69 H VAL 69 23.934 5.546 -2.712 517 HA VAL 69 HA VAL 69 25.231 4.184 -4.972 518 HB VAL 69 HB VAL 69 25.898 6.913 -3.867 519 HG11 VAL 69 1HG1 VAL 69 27.275 7.202 -5.704 520 HG12 VAL 69 2HG1 VAL 69 27.540 5.504 -5.303 521 HG13 VAL 69 3HG1 VAL 69 26.470 5.940 -6.636 522 HG21 VAL 69 3HG2 VAL 69 23.909 6.064 -5.938 523 HG22 VAL 69 1HG2 VAL 69 23.730 7.233 -4.630 524 HG23 VAL 69 2HG2 VAL 69 24.700 7.636 -6.046 525 H VAL 70 H VAL 70 26.861 2.874 -4.517 526 HA VAL 70 HA VAL 70 28.538 3.467 -2.166 527 HB VAL 70 HB VAL 70 27.933 0.686 -3.166 528 HG11 VAL 70 1HG1 VAL 70 29.246 -0.088 -1.497 529 HG12 VAL 70 2HG1 VAL 70 30.002 1.498 -1.654 530 HG13 VAL 70 3HG1 VAL 70 28.799 1.214 -0.395 531 HG21 VAL 70 3HG2 VAL 70 26.524 2.376 -1.138 532 HG22 VAL 70 1HG2 VAL 70 25.849 1.328 -2.386 533 HG23 VAL 70 2HG2 VAL 70 26.587 0.623 -0.947 534 H ASN 71 H ASN 71 30.539 3.959 -2.748 535 HA ASN 71 HA ASN 71 31.668 2.662 -5.142 536 HB2 ASN 71 2HB ASN 71 32.475 5.382 -4.111 537 HB3 ASN 71 3HB ASN 71 32.868 4.654 -5.666 538 HD21 ASN 71 1HD2 ASN 71 30.276 5.991 -3.717 539 HD22 ASN 71 2HD2 ASN 71 29.252 6.423 -5.040 540 H ALA 72 H ALA 72 33.096 1.182 -4.526 541 HA ALA 72 HA ALA 72 34.383 1.163 -2.001 542 HB1 ALA 72 1HB ALA 72 35.519 -0.793 -2.761 543 HB2 ALA 72 2HB ALA 72 33.872 -0.854 -3.387 544 HB3 ALA 72 3HB ALA 72 35.202 -0.391 -4.448 545 H ASP 73 H ASP 73 35.324 2.291 -5.188 546 HA ASP 73 HA ASP 73 38.072 2.589 -4.780 547 HB2 ASP 73 2HB ASP 73 36.449 2.997 -6.886 548 HB3 ASP 73 3HB ASP 73 36.694 4.669 -6.386 549 H LYS 74 H LYS 74 35.383 4.752 -4.026 550 HA LYS 74 HA LYS 74 37.238 6.674 -2.830 551 HB2 LYS 74 2HB LYS 74 34.298 6.810 -3.496 552 HB3 LYS 74 3HB LYS 74 35.120 8.055 -2.564 553 HG2 LYS 74 2HG LYS 74 36.322 7.295 -5.160 554 HG3 LYS 74 3HG LYS 74 34.809 8.203 -5.197 555 HD2 LYS 74 2HD LYS 74 36.318 9.927 -5.166 556 HD3 LYS 74 3HD LYS 74 36.058 9.710 -3.434 557 HE2 LYS 74 2HE LYS 74 38.093 8.576 -3.160 558 HE3 LYS 74 3HE LYS 74 38.257 8.274 -4.889 559 HZ1 LYS 74 3HZ LYS 74 39.594 10.042 -4.852 560 HZ2 LYS 74 1HZ LYS 74 39.033 10.576 -3.348 561 HZ3 LYS 74 2HZ LYS 74 38.183 10.970 -4.756 562 H LYS 75 H LYS 75 35.799 3.941 -1.870 563 HA LYS 75 HA LYS 75 35.034 3.072 0.102 564 HB2 LYS 75 2HB LYS 75 36.384 3.649 2.043 565 HB3 LYS 75 3HB LYS 75 37.404 3.506 0.618 566 HG2 LYS 75 2HG LYS 75 37.673 5.842 0.452 567 HG3 LYS 75 3HG LYS 75 36.370 6.148 1.603 568 HD2 LYS 75 2HD LYS 75 38.322 6.495 2.845 569 HD3 LYS 75 3HD LYS 75 37.819 4.862 3.286 570 HE2 LYS 75 2HE LYS 75 40.090 4.609 2.901 571 HE3 LYS 75 3HE LYS 75 39.381 4.120 1.363 572 HZ1 LYS 75 3HZ LYS 75 39.878 6.267 0.448 573 HZ2 LYS 75 1HZ LYS 75 41.294 5.621 1.112 574 HZ3 LYS 75 2HZ LYS 75 40.447 6.831 1.938 575 H LEU 76 H LEU 76 33.223 4.877 -0.852 576 HA LEU 76 HA LEU 76 32.115 5.940 1.636 577 HB2 LEU 76 2HB LEU 76 31.324 7.937 0.164 578 HB3 LEU 76 3HB LEU 76 32.929 7.946 0.892 579 HG LEU 76 HG LEU 76 33.911 7.290 -1.245 580 HD11 LEU 76 1HD1 LEU 76 31.044 7.228 -2.127 581 HD12 LEU 76 2HD1 LEU 76 32.282 5.983 -2.298 582 HD13 LEU 76 3HD1 LEU 76 32.368 7.451 -3.272 583 HD21 LEU 76 3HD2 LEU 76 32.524 9.761 -0.720 584 HD22 LEU 76 1HD2 LEU 76 32.607 9.441 -2.453 585 HD23 LEU 76 2HD2 LEU 76 34.087 9.491 -1.494 586 H MET 77 H MET 77 29.834 6.160 1.634 587 HA MET 77 HA MET 77 28.384 5.178 -0.696 588 HB2 MET 77 2HB MET 77 27.335 3.377 0.379 589 HB3 MET 77 3HB MET 77 29.023 3.235 0.850 590 HG2 MET 77 2HG MET 77 28.510 4.304 2.990 591 HG3 MET 77 3HG MET 77 26.817 4.422 2.516 592 HE1 MET 77 3HE MET 77 26.634 0.964 1.181 593 HE2 MET 77 1HE MET 77 25.433 1.029 2.472 594 HE3 MET 77 2HE MET 77 25.701 2.438 1.445 595 H SER 78 H SER 78 26.520 6.236 -0.977 596 HA SER 78 HA SER 78 25.425 7.739 1.310 597 HB2 SER 78 2HB SER 78 25.725 9.629 0.147 598 HB3 SER 78 3HB SER 78 26.374 8.714 -1.214 599 HG SER 78 HG SER 78 23.693 9.451 -0.704 600 H VAL 79 H VAL 79 23.271 7.617 1.668 601 HA VAL 79 HA VAL 79 21.693 5.992 -0.221 602 HB VAL 79 HB VAL 79 21.362 6.183 2.776 603 HG11 VAL 79 1HG1 VAL 79 19.965 3.994 1.627 604 HG12 VAL 79 2HG1 VAL 79 19.311 5.384 2.495 605 HG13 VAL 79 3HG1 VAL 79 19.519 5.454 0.745 606 HG21 VAL 79 3HG2 VAL 79 23.018 4.677 2.793 607 HG22 VAL 79 1HG2 VAL 79 21.825 3.553 2.140 608 HG23 VAL 79 2HG2 VAL 79 22.915 4.413 1.052 609 H SER 80 H SER 80 20.151 7.088 -1.222 610 HA SER 80 HA SER 80 18.954 9.407 0.148 611 HB2 SER 80 2HB SER 80 19.031 9.070 -2.845 612 HB3 SER 80 3HB SER 80 18.759 10.542 -1.912 613 HG SER 80 HG SER 80 21.163 9.151 -2.378 614 H PHE 81 H PHE 81 16.927 9.083 0.745 615 HA PHE 81 HA PHE 81 15.142 7.569 -1.020 616 HB2 PHE 81 2HB PHE 81 14.123 6.554 1.093 617 HB3 PHE 81 3HB PHE 81 15.677 5.910 0.574 618 HD1 PHE 81 HD2 PHE 81 14.213 8.463 2.854 619 HD2 PHE 81 HD1 PHE 81 17.401 5.747 2.096 620 HE1 PHE 81 HE2 PHE 81 15.149 8.946 5.077 621 HE2 PHE 81 HE1 PHE 81 18.342 6.225 4.319 622 HZ PHE 81 HZ PHE 81 17.216 7.828 5.812 623 H SER 82 H SER 82 13.000 8.218 -0.996 624 HA SER 82 HA SER 82 12.442 10.660 0.558 625 HB2 SER 82 2HB SER 82 12.626 11.154 -1.827 626 HB3 SER 82 3HB SER 82 11.439 9.903 -2.198 627 HG SER 82 HG SER 82 10.774 12.262 -1.958 628 H ASP 83 H ASP 83 10.253 10.994 1.234 629 HA ASP 83 HA ASP 83 8.621 10.072 2.632 630 HB2 ASP 83 2HB ASP 83 7.890 9.518 -0.236 631 HB3 ASP 83 3HB ASP 83 6.775 9.169 1.082 632 H ILE 84 H ILE 84 9.750 8.452 3.784 633 HA ILE 84 HA ILE 84 9.116 5.721 2.881 634 HB ILE 84 HB ILE 84 11.177 4.882 3.777 635 HG12 ILE 84 2HG1 ILE 84 12.242 7.602 4.376 636 HG13 ILE 84 3HG1 ILE 84 11.150 6.870 5.546 637 HG21 ILE 84 1HG2 ILE 84 11.190 5.802 1.481 638 HG22 ILE 84 2HG2 ILE 84 11.792 7.328 2.128 639 HG23 ILE 84 3HG2 ILE 84 12.771 5.867 2.260 640 HD11 ILE 84 3HD1 ILE 84 13.252 6.265 6.300 641 HD12 ILE 84 1HD1 ILE 84 12.714 4.838 5.414 642 HD13 ILE 84 2HD1 ILE 84 13.857 5.959 4.673 643 H ASP 85 H ASP 85 9.898 4.308 5.071 644 HA ASP 85 HA ASP 85 8.344 5.466 7.288 645 HB2 ASP 85 2HB ASP 85 8.308 2.538 6.550 646 HB3 ASP 85 3HB ASP 85 7.274 3.372 7.707 647 H GLU 86 H GLU 86 8.818 4.486 9.404 648 HA GLU 86 HA GLU 86 11.613 4.378 9.865 649 HB2 GLU 86 2HB GLU 86 11.037 3.995 12.192 650 HB3 GLU 86 3HB GLU 86 10.003 5.247 11.519 651 HG2 GLU 86 2HG GLU 86 8.343 3.307 11.099 652 HG3 GLU 86 3HG GLU 86 9.319 2.445 12.287 653 H ASN 87 H ASN 87 9.191 1.969 9.278 654 HA ASN 87 HA ASN 87 10.416 -0.277 10.407 655 HB2 ASN 87 2HB ASN 87 8.066 -0.028 9.356 656 HB3 ASN 87 3HB ASN 87 8.866 -0.398 7.831 657 HD21 ASN 87 1HD2 ASN 87 9.289 -2.456 7.339 658 HD22 ASN 87 2HD2 ASN 87 9.026 -3.799 8.394 659 H MET 88 H MET 88 10.631 0.989 7.085 660 HA MET 88 HA MET 88 12.650 -0.920 6.347 661 HB2 MET 88 2HB MET 88 12.772 0.479 4.250 662 HB3 MET 88 3HB MET 88 11.194 -0.210 4.606 663 HG2 MET 88 2HG MET 88 11.174 2.271 5.854 664 HG3 MET 88 3HG MET 88 11.981 2.547 4.311 665 HE1 MET 88 3HE MET 88 9.212 0.825 1.948 666 HE2 MET 88 1HE MET 88 10.796 1.602 1.917 667 HE3 MET 88 2HE MET 88 10.582 0.068 2.762 668 H LYS 89 H LYS 89 12.562 2.396 7.458 669 HA LYS 89 HA LYS 89 15.065 3.312 6.757 670 HB2 LYS 89 2HB LYS 89 13.200 4.536 8.003 671 HB3 LYS 89 3HB LYS 89 13.847 3.812 9.469 672 HG2 LYS 89 2HG LYS 89 16.070 4.858 8.823 673 HG3 LYS 89 3HG LYS 89 15.158 5.792 7.635 674 HD2 LYS 89 2HD LYS 89 14.594 5.741 10.599 675 HD3 LYS 89 3HD LYS 89 15.498 7.006 9.763 676 HE2 LYS 89 2HE LYS 89 13.534 7.511 8.401 677 HE3 LYS 89 3HE LYS 89 12.632 6.234 9.216 678 HZ1 LYS 89 3HZ LYS 89 12.154 7.600 10.878 679 HZ2 LYS 89 1HZ LYS 89 12.815 8.870 9.977 680 HZ3 LYS 89 2HZ LYS 89 13.774 8.035 11.092 681 H LYS 90 H LYS 90 14.167 1.181 9.419 682 HA LYS 90 HA LYS 90 16.611 1.140 10.776 683 HB2 LYS 90 2HB LYS 90 15.819 -0.785 11.891 684 HB3 LYS 90 3HB LYS 90 14.382 0.158 11.517 685 HG2 LYS 90 2HG LYS 90 13.642 -1.875 10.857 686 HG3 LYS 90 3HG LYS 90 14.411 -1.375 9.349 687 HD2 LYS 90 2HD LYS 90 16.087 -2.883 9.550 688 HD3 LYS 90 3HD LYS 90 16.156 -2.729 11.308 689 HE2 LYS 90 2HE LYS 90 13.916 -3.973 11.310 690 HE3 LYS 90 3HE LYS 90 14.288 -4.383 9.636 691 HZ1 LYS 90 3HZ LYS 90 15.539 -6.033 10.377 692 HZ2 LYS 90 1HZ LYS 90 15.231 -5.601 11.983 693 HZ3 LYS 90 2HZ LYS 90 16.553 -4.933 11.166 694 H VAL 91 H VAL 91 15.481 -0.699 7.990 695 HA VAL 91 HA VAL 91 17.730 -2.452 7.888 696 HB VAL 91 HB VAL 91 16.725 -3.435 6.113 697 HG11 VAL 91 1HG1 VAL 91 14.363 -1.712 6.804 698 HG12 VAL 91 2HG1 VAL 91 14.382 -3.404 6.304 699 HG13 VAL 91 3HG1 VAL 91 14.978 -2.948 7.901 700 HG21 VAL 91 3HG2 VAL 91 15.488 -2.145 4.340 701 HG22 VAL 91 1HG2 VAL 91 16.011 -0.672 5.155 702 HG23 VAL 91 2HG2 VAL 91 17.207 -1.777 4.479 703 H ILE 92 H ILE 92 16.931 0.645 6.425 704 HA ILE 92 HA ILE 92 19.075 0.713 4.575 705 HB ILE 92 HB ILE 92 17.804 3.144 5.815 706 HG12 ILE 92 2HG1 ILE 92 16.714 1.245 3.750 707 HG13 ILE 92 3HG1 ILE 92 15.919 1.871 5.190 708 HG21 ILE 92 1HG2 ILE 92 18.657 2.795 2.967 709 HG22 ILE 92 2HG2 ILE 92 18.455 4.280 3.895 710 HG23 ILE 92 3HG2 ILE 92 19.825 3.219 4.218 711 HD11 ILE 92 3HD1 ILE 92 16.081 4.154 4.057 712 HD12 ILE 92 1HD1 ILE 92 16.438 3.249 2.586 713 HD13 ILE 92 2HD1 ILE 92 14.908 2.998 3.427 714 H LYS 93 H LYS 93 18.684 2.076 7.833 715 HA LYS 93 HA LYS 93 21.242 3.270 7.959 716 HB2 LYS 93 2HB LYS 93 19.062 3.473 9.487 717 HB3 LYS 93 3HB LYS 93 19.944 2.300 10.456 718 HG2 LYS 93 2HG LYS 93 21.905 3.938 10.315 719 HG3 LYS 93 3HG LYS 93 20.708 5.112 9.761 720 HD2 LYS 93 2HD LYS 93 20.020 3.574 12.191 721 HD3 LYS 93 3HD LYS 93 21.330 4.746 12.348 722 HE2 LYS 93 2HE LYS 93 18.798 5.564 11.001 723 HE3 LYS 93 3HE LYS 93 18.833 5.447 12.760 724 HZ1 LYS 93 3HZ LYS 93 20.000 7.424 11.036 725 HZ2 LYS 93 1HZ LYS 93 21.092 6.826 12.182 726 HZ3 LYS 93 2HZ LYS 93 19.629 7.512 12.684 727 H ALA 94 H ALA 94 20.018 0.125 9.035 728 HA ALA 94 HA ALA 94 22.406 -0.749 10.263 729 HB1 ALA 94 1HB ALA 94 21.409 -3.024 10.029 730 HB2 ALA 94 2HB ALA 94 20.348 -1.841 10.796 731 HB3 ALA 94 3HB ALA 94 20.091 -2.295 9.111 732 H THR 95 H THR 95 21.201 -0.950 6.963 733 HA THR 95 HA THR 95 23.192 -2.736 6.006 734 HB THR 95 HB THR 95 21.424 -0.774 4.538 735 HG1 THR 95 HG1 THR 95 20.481 -2.666 5.618 736 HG21 THR 95 3HG2 THR 95 22.236 -2.773 2.774 737 HG22 THR 95 1HG2 THR 95 23.710 -2.283 3.607 738 HG23 THR 95 2HG2 THR 95 22.736 -1.082 2.758 739 H ALA 96 H ALA 96 22.867 0.799 5.926 740 HA ALA 96 HA ALA 96 25.271 1.274 4.506 741 HB1 ALA 96 1HB ALA 96 24.232 3.322 6.390 742 HB2 ALA 96 2HB ALA 96 24.796 3.493 4.727 743 HB3 ALA 96 3HB ALA 96 23.197 2.822 5.051 744 H GLU 97 H GLU 97 24.481 1.352 7.971 745 HA GLU 97 HA GLU 97 27.059 2.100 8.845 746 HB2 GLU 97 2HB GLU 97 26.291 1.711 11.021 747 HB3 GLU 97 3HB GLU 97 24.837 2.153 10.137 748 HG2 GLU 97 2HG GLU 97 24.083 0.348 11.302 749 HG3 GLU 97 3HG GLU 97 24.615 -0.435 9.815 750 H LYS 98 H LYS 98 25.587 -0.993 8.121 751 HA LYS 98 HA LYS 98 27.414 -2.702 9.353 752 HB2 LYS 98 2HB LYS 98 25.353 -3.556 8.438 753 HB3 LYS 98 3HB LYS 98 25.811 -3.055 6.816 754 HG2 LYS 98 2HG LYS 98 26.743 -5.027 6.466 755 HG3 LYS 98 3HG LYS 98 27.853 -4.751 7.810 756 HD2 LYS 98 2HD LYS 98 25.112 -5.554 8.548 757 HD3 LYS 98 3HD LYS 98 26.076 -6.779 7.720 758 HE2 LYS 98 2HE LYS 98 26.898 -5.269 10.199 759 HE3 LYS 98 3HE LYS 98 26.299 -6.926 10.159 760 HZ1 LYS 98 3HZ LYS 98 28.880 -5.866 9.231 761 HZ2 LYS 98 1HZ LYS 98 28.252 -7.266 8.518 762 HZ3 LYS 98 2HZ LYS 98 28.560 -7.230 10.180 763 H PHE 99 H PHE 99 27.534 -1.099 6.211 764 HA PHE 99 HA PHE 99 29.811 -2.417 5.213 765 HB2 PHE 99 2HB PHE 99 28.352 0.095 4.569 766 HB3 PHE 99 3HB PHE 99 29.991 -0.069 3.947 767 HD1 PHE 99 HD1 PHE 99 30.456 -2.460 2.843 768 HD2 PHE 99 HD2 PHE 99 26.643 -0.608 3.223 769 HE1 PHE 99 HE1 PHE 99 29.612 -3.825 0.979 770 HE2 PHE 99 HE2 PHE 99 25.791 -1.972 1.360 771 HZ PHE 99 HZ PHE 99 27.277 -3.582 0.235 772 H LYS 100 H LYS 100 29.417 0.304 7.370 773 HA LYS 100 HA LYS 100 32.010 1.361 7.254 774 HB2 LYS 100 2HB LYS 100 29.712 1.988 8.602 775 HB3 LYS 100 3HB LYS 100 30.739 1.407 9.906 776 HG2 LYS 100 2HG LYS 100 31.370 3.636 7.983 777 HG3 LYS 100 3HG LYS 100 30.955 3.796 9.692 778 HD2 LYS 100 2HD LYS 100 33.383 2.369 8.606 779 HD3 LYS 100 3HD LYS 100 33.376 3.992 9.299 780 HE2 LYS 100 2HE LYS 100 32.558 1.475 10.748 781 HE3 LYS 100 3HE LYS 100 34.125 2.269 10.900 782 HZ1 LYS 100 3HZ LYS 100 31.756 2.830 12.283 783 HZ2 LYS 100 1HZ LYS 100 32.136 4.182 11.340 784 HZ3 LYS 100 2HZ LYS 100 33.265 3.577 12.444 785 H ASN 101 H ASN 101 30.731 -1.450 8.857 786 HA ASN 101 HA ASN 101 32.763 -1.858 10.755 787 HB2 ASN 101 2HB ASN 101 31.046 -3.899 9.324 788 HB3 ASN 101 3HB ASN 101 31.999 -4.210 10.772 789 HD21 ASN 101 1HD2 ASN 101 29.472 -4.810 11.009 790 HD22 ASN 101 2HD2 ASN 101 28.598 -3.633 11.923 791 H LYS 102 H LYS 102 32.803 -2.091 7.364 792 HA LYS 102 HA LYS 102 35.199 -3.792 7.396 793 HB2 LYS 102 2HB LYS 102 33.158 -4.278 5.887 794 HB3 LYS 102 3HB LYS 102 33.730 -2.926 4.919 795 HG2 LYS 102 2HG LYS 102 34.573 -4.906 3.933 796 HG3 LYS 102 3HG LYS 102 35.930 -4.106 4.730 797 HD2 LYS 102 2HD LYS 102 36.307 -6.157 5.587 798 HD3 LYS 102 3HD LYS 102 35.044 -5.697 6.731 799 HE2 LYS 102 2HE LYS 102 33.408 -6.692 5.030 800 HE3 LYS 102 3HE LYS 102 34.827 -7.430 4.288 801 HZ1 LYS 102 3HZ LYS 102 33.997 -7.797 7.116 802 HZ2 LYS 102 1HZ LYS 102 35.311 -8.546 6.357 803 HZ3 LYS 102 2HZ LYS 102 33.733 -8.912 5.872 804 H GLY 103 H GLY 103 34.331 -0.592 7.393 805 HA2 GLY 103 2HA GLY 103 35.945 1.149 7.402 806 HA3 GLY 103 3HA GLY 103 36.969 0.168 6.363 807 H PHE 104 H PHE 104 33.788 1.772 6.335 808 HA PHE 104 HA PHE 104 34.444 2.989 3.781 809 HB2 PHE 104 2HB PHE 104 32.079 1.136 4.128 810 HB3 PHE 104 3HB PHE 104 32.291 2.224 2.760 811 HD1 PHE 104 HD2 PHE 104 33.520 -0.807 4.413 812 HD2 PHE 104 HD1 PHE 104 33.884 1.751 1.030 813 HE1 PHE 104 HE2 PHE 104 34.842 -2.530 3.257 814 HE2 PHE 104 HE1 PHE 104 35.206 0.032 -0.131 815 HZ PHE 104 HZ PHE 104 35.686 -2.112 0.981 816 H LYS 105 H LYS 105 33.722 5.015 3.721 817 HA LYS 105 HA LYS 105 32.391 6.201 5.885 818 HB2 LYS 105 2HB LYS 105 33.806 7.522 4.448 819 HB3 LYS 105 3HB LYS 105 32.799 7.166 3.051 820 HG2 LYS 105 2HG LYS 105 32.334 9.391 3.771 821 HG3 LYS 105 3HG LYS 105 30.936 8.383 4.155 822 HD2 LYS 105 2HD LYS 105 31.137 9.468 6.145 823 HD3 LYS 105 3HD LYS 105 32.248 8.132 6.458 824 HE2 LYS 105 2HE LYS 105 33.260 10.651 5.207 825 HE3 LYS 105 3HE LYS 105 32.978 10.590 6.946 826 HZ1 LYS 105 3HZ LYS 105 35.185 9.640 5.535 827 HZ2 LYS 105 1HZ LYS 105 34.390 8.290 6.173 828 HZ3 LYS 105 2HZ LYS 105 34.892 9.539 7.198 829 H VAL 106 H VAL 106 30.296 6.634 6.318 830 HA VAL 106 HA VAL 106 28.300 5.742 4.340 831 HB VAL 106 HB VAL 106 28.030 5.682 7.349 832 HG11 VAL 106 1HG1 VAL 106 26.021 4.225 6.700 833 HG12 VAL 106 2HG1 VAL 106 25.873 5.972 6.498 834 HG13 VAL 106 3HG1 VAL 106 26.188 4.944 5.099 835 HG21 VAL 106 3HG2 VAL 106 29.634 4.020 6.260 836 HG22 VAL 106 1HG2 VAL 106 28.359 3.359 7.283 837 HG23 VAL 106 2HG2 VAL 106 28.201 3.298 5.528 838 H GLU 107 H GLU 107 26.856 7.200 3.681 839 HA GLU 107 HA GLU 107 26.425 9.599 5.329 840 HB2 GLU 107 2HB GLU 107 27.884 10.283 3.548 841 HB3 GLU 107 3HB GLU 107 26.889 9.469 2.349 842 HG2 GLU 107 2HG GLU 107 25.250 11.088 2.410 843 HG3 GLU 107 3HG GLU 107 25.717 11.647 4.016 844 H THR 108 H THR 108 24.356 10.321 5.478 845 HA THR 108 HA THR 108 22.314 8.815 3.975 846 HB THR 108 HB THR 108 20.823 8.962 5.863 847 HG1 THR 108 HG1 THR 108 21.168 10.692 7.057 848 HG21 THR 108 3HG2 THR 108 22.973 8.096 7.540 849 HG22 THR 108 1HG2 THR 108 23.261 7.535 5.894 850 HG23 THR 108 2HG2 THR 108 21.754 7.126 6.713 851 H ASP 109 H ASP 109 20.820 9.950 2.884 852 HA ASP 109 HA ASP 109 20.644 12.847 3.380 853 HB2 ASP 109 2HB ASP 109 21.891 11.930 1.215 854 HB3 ASP 109 3HB ASP 109 20.240 11.820 0.611 855 H MET 110 H MET 110 18.680 13.271 4.128 856 HA MET 110 HA MET 110 16.382 11.956 2.843 857 HB2 MET 110 2HB MET 110 16.584 10.898 4.972 858 HB3 MET 110 3HB MET 110 16.842 12.435 5.785 859 HG2 MET 110 2HG MET 110 14.615 11.606 6.219 860 HG3 MET 110 3HG MET 110 14.549 13.094 5.277 861 HE1 MET 110 3HE MET 110 12.208 11.412 5.743 862 HE2 MET 110 1HE MET 110 11.579 10.513 4.361 863 HE3 MET 110 2HE MET 110 12.690 9.734 5.487 Start of MODEL 12 1 H1 MET 1 H MET 1 2.086 -0.246 1.092 2 HA MET 1 HA MET 1 1.455 -0.475 -1.742 3 HB2 MET 1 2HB MET 1 3.173 1.564 -1.967 4 HB3 MET 1 3HB MET 1 1.433 1.797 -1.879 5 HG2 MET 1 2HG MET 1 2.611 3.348 -0.429 6 HG3 MET 1 3HG MET 1 1.593 2.249 0.500 7 HE1 MET 1 3HE MET 1 4.858 2.337 -1.244 8 HE2 MET 1 1HE MET 1 6.087 2.257 0.019 9 HE3 MET 1 2HE MET 1 5.396 0.772 -0.634 10 H THR 2 H THR 2 3.571 -0.438 -3.050 11 HA THR 2 HA THR 2 5.532 -2.070 -1.589 12 HB THR 2 HB THR 2 5.531 -1.891 -4.572 13 HG1 THR 2 HG1 THR 2 3.543 -3.063 -2.970 14 HG21 THR 2 3HG2 THR 2 6.421 -3.777 -2.458 15 HG22 THR 2 1HG2 THR 2 7.226 -3.287 -3.948 16 HG23 THR 2 2HG2 THR 2 5.914 -4.464 -4.001 17 H LEU 3 H LEU 3 7.501 -1.293 -1.210 18 HA LEU 3 HA LEU 3 8.403 1.044 -2.764 19 HB2 LEU 3 2HB LEU 3 7.979 0.838 -0.021 20 HB3 LEU 3 3HB LEU 3 9.727 0.720 -0.212 21 HG LEU 3 HG LEU 3 9.863 2.872 -1.181 22 HD11 LEU 3 1HD1 LEU 3 7.122 2.353 -1.919 23 HD12 LEU 3 2HD1 LEU 3 8.272 3.507 -2.594 24 HD13 LEU 3 3HD1 LEU 3 7.300 3.950 -1.191 25 HD21 LEU 3 3HD2 LEU 3 8.282 2.557 1.285 26 HD22 LEU 3 1HD2 LEU 3 8.245 4.159 0.548 27 HD23 LEU 3 2HD2 LEU 3 9.787 3.433 1.000 28 H CYS 4 H CYS 4 10.164 0.740 -3.947 29 HA CYS 4 HA CYS 4 12.019 -1.416 -3.175 30 HB2 CYS 4 2HB CYS 4 11.477 -0.511 -6.006 31 HB3 CYS 4 3HB CYS 4 12.403 -1.916 -5.489 32 HG CYS 4 HG CYS 4 10.182 -3.079 -6.451 33 H ALA 5 H ALA 5 14.246 -1.089 -3.664 34 HA ALA 5 HA ALA 5 15.012 1.680 -4.276 35 HB1 ALA 5 1HB ALA 5 15.033 0.802 -1.727 36 HB2 ALA 5 2HB ALA 5 16.656 0.335 -2.237 37 HB3 ALA 5 3HB ALA 5 16.144 2.018 -2.358 38 H MET 6 H MET 6 16.919 1.927 -5.394 39 HA MET 6 HA MET 6 18.202 -0.570 -6.287 40 HB2 MET 6 2HB MET 6 18.651 0.465 -8.398 41 HB3 MET 6 3HB MET 6 16.950 0.720 -8.033 42 HG2 MET 6 2HG MET 6 17.839 2.978 -7.031 43 HG3 MET 6 3HG MET 6 19.186 2.673 -8.125 44 HE1 MET 6 3HE MET 6 19.023 2.526 -10.678 45 HE2 MET 6 1HE MET 6 17.807 1.249 -10.631 46 HE3 MET 6 2HE MET 6 17.539 2.685 -11.619 47 H TYR 7 H TYR 7 20.286 -0.840 -5.823 48 HA TYR 7 HA TYR 7 21.863 1.529 -5.057 49 HB2 TYR 7 2HB TYR 7 22.960 0.277 -3.357 50 HB3 TYR 7 3HB TYR 7 21.238 -0.030 -3.161 51 HD1 TYR 7 HD1 TYR 7 20.285 -2.208 -3.927 52 HD2 TYR 7 HD2 TYR 7 24.477 -1.486 -3.839 53 HE1 TYR 7 HE1 TYR 7 20.698 -4.629 -4.044 54 HE2 TYR 7 HE2 TYR 7 24.902 -3.906 -3.957 55 HH TYR 7 HH TYR 7 23.345 -6.000 -4.961 56 H ASN 8 H ASN 8 23.969 1.656 -5.769 57 HA ASN 8 HA ASN 8 24.792 -0.402 -7.712 58 HB2 ASN 8 2HB ASN 8 25.764 1.282 -9.088 59 HB3 ASN 8 3HB ASN 8 24.154 1.858 -8.667 60 HD21 ASN 8 1HD2 ASN 8 27.574 2.185 -7.991 61 HD22 ASN 8 2HD2 ASN 8 27.483 3.773 -7.318 62 H ILE 9 H ILE 9 26.781 -1.264 -7.512 63 HA ILE 9 HA ILE 9 28.514 -0.170 -5.393 64 HB ILE 9 HB ILE 9 29.472 -2.569 -5.400 65 HG12 ILE 9 2HG1 ILE 9 27.937 -3.023 -7.503 66 HG13 ILE 9 3HG1 ILE 9 28.255 -4.292 -6.326 67 HG21 ILE 9 1HG2 ILE 9 26.766 -1.864 -4.287 68 HG22 ILE 9 2HG2 ILE 9 27.655 -3.318 -3.835 69 HG23 ILE 9 3HG2 ILE 9 28.334 -1.727 -3.491 70 HD11 ILE 9 3HD1 ILE 9 26.131 -4.238 -5.492 71 HD12 ILE 9 1HD1 ILE 9 25.878 -2.551 -5.940 72 HD13 ILE 9 2HD1 ILE 9 25.830 -3.809 -7.175 73 H SER 10 H SER 10 30.532 0.411 -5.904 74 HA SER 10 HA SER 10 31.490 -0.222 -8.617 75 HB2 SER 10 2HB SER 10 32.211 1.912 -8.853 76 HB3 SER 10 3HB SER 10 31.090 2.257 -7.537 77 HG SER 10 HG SER 10 33.767 2.453 -7.569 78 H MET 11 H MET 11 33.181 -1.528 -8.766 79 HA MET 11 HA MET 11 34.668 -2.245 -6.384 80 HB2 MET 11 2HB MET 11 35.615 -4.016 -7.705 81 HB3 MET 11 3HB MET 11 33.887 -3.954 -8.025 82 HG2 MET 11 2HG MET 11 35.346 -2.299 -9.879 83 HG3 MET 11 3HG MET 11 35.948 -3.955 -9.886 84 HE1 MET 11 3HE MET 11 35.043 -2.531 -12.127 85 HE2 MET 11 1HE MET 11 34.066 -3.709 -13.004 86 HE3 MET 11 2HE MET 11 33.322 -2.237 -12.381 87 H ALA 12 H ALA 12 34.909 0.187 -8.566 88 HA ALA 12 HA ALA 12 37.420 1.062 -7.739 89 HB1 ALA 12 1HB ALA 12 38.944 0.173 -9.100 90 HB2 ALA 12 2HB ALA 12 37.717 -1.020 -9.526 91 HB3 ALA 12 3HB ALA 12 37.932 0.418 -10.524 92 H GLY 13 H GLY 13 38.332 2.445 -9.971 93 HA2 GLY 13 2HA GLY 13 36.266 4.470 -10.180 94 HA3 GLY 13 3HA GLY 13 37.924 4.606 -10.744 95 H SER 14 H SER 14 35.502 2.137 -11.519 96 HA SER 14 HA SER 14 35.460 3.121 -14.288 97 HB2 SER 14 2HB SER 14 37.046 1.160 -13.979 98 HB3 SER 14 3HB SER 14 35.627 0.184 -13.598 99 HG SER 14 HG SER 14 35.812 1.705 -15.974 100 H HIS 15 H HIS 15 33.622 2.332 -15.543 101 HA HIS 15 HA HIS 15 31.188 2.857 -14.668 102 HB2 HIS 15 2HB HIS 15 31.642 2.078 -16.955 103 HB3 HIS 15 3HB HIS 15 31.803 0.427 -16.364 104 HD1 HIS 15 HD1 HIS 15 29.799 -0.846 -17.023 105 HD2 HIS 15 HD2 HIS 15 28.848 3.038 -15.894 106 HE1 HIS 15 HE1 HIS 15 27.294 -0.693 -17.185 107 HA PRO 16 HA PRO 16 30.825 0.039 -11.161 108 HB2 PRO 16 2HB PRO 16 28.751 1.374 -10.027 109 HB3 PRO 16 3HB PRO 16 30.433 1.887 -9.853 110 HG2 PRO 16 2HG PRO 16 28.322 2.915 -11.709 111 HG3 PRO 16 3HG PRO 16 29.511 3.821 -10.755 112 HD2 PRO 16 2HD PRO 16 29.835 3.327 -13.398 113 HD3 PRO 16 3HD PRO 16 31.204 3.443 -12.274 114 H THR 17 H THR 17 28.729 -0.933 -10.139 115 HA THR 17 HA THR 17 26.966 -1.766 -12.350 116 HB THR 17 HB THR 17 27.671 -3.371 -9.886 117 HG1 THR 17 HG1 THR 17 29.459 -3.639 -11.024 118 HG21 THR 17 3HG2 THR 17 26.126 -4.046 -12.389 119 HG22 THR 17 1HG2 THR 17 25.506 -3.982 -10.739 120 HG23 THR 17 2HG2 THR 17 26.659 -5.235 -11.200 121 H THR 18 H THR 18 24.879 -1.296 -12.164 122 HA THR 18 HA THR 18 23.874 -0.404 -9.551 123 HB THR 18 HB THR 18 22.712 0.090 -12.300 124 HG1 THR 18 HG1 THR 18 23.407 2.330 -11.592 125 HG21 THR 18 3HG2 THR 18 21.822 0.758 -9.536 126 HG22 THR 18 1HG2 THR 18 20.869 0.301 -10.947 127 HG23 THR 18 2HG2 THR 18 21.532 1.931 -10.820 128 H ILE 19 H ILE 19 22.019 -1.250 -8.661 129 HA ILE 19 HA ILE 19 20.647 -3.400 -10.098 130 HB ILE 19 HB ILE 19 22.347 -3.752 -7.748 131 HG12 ILE 19 2HG1 ILE 19 21.056 -5.547 -9.802 132 HG13 ILE 19 3HG1 ILE 19 22.746 -5.066 -9.696 133 HG21 ILE 19 1HG2 ILE 19 20.835 -5.372 -6.642 134 HG22 ILE 19 2HG2 ILE 19 20.267 -3.706 -6.539 135 HG23 ILE 19 3HG2 ILE 19 19.529 -4.820 -7.691 136 HD11 ILE 19 3HD1 ILE 19 21.265 -6.915 -7.845 137 HD12 ILE 19 1HD1 ILE 19 22.537 -7.338 -8.991 138 HD13 ILE 19 2HD1 ILE 19 22.914 -6.347 -7.581 139 H CYS 20 H CYS 20 18.503 -3.645 -9.580 140 HA CYS 20 HA CYS 20 17.425 -1.769 -7.580 141 HB2 CYS 20 2HB CYS 20 16.860 -0.964 -9.787 142 HB3 CYS 20 3HB CYS 20 16.269 -2.553 -10.261 143 HG CYS 20 HG CYS 20 14.510 -1.900 -7.692 144 H VAL 21 H VAL 21 16.527 -2.779 -5.922 145 HA VAL 21 HA VAL 21 14.924 -5.181 -6.400 146 HB VAL 21 HB VAL 21 15.912 -6.241 -4.348 147 HG11 VAL 21 1HG1 VAL 21 18.165 -6.750 -5.613 148 HG12 VAL 21 2HG1 VAL 21 16.617 -7.310 -6.248 149 HG13 VAL 21 3HG1 VAL 21 17.372 -5.862 -6.914 150 HG21 VAL 21 3HG2 VAL 21 17.834 -5.454 -3.336 151 HG22 VAL 21 1HG2 VAL 21 18.300 -4.486 -4.735 152 HG23 VAL 21 2HG2 VAL 21 16.978 -3.955 -3.695 153 H VAL 22 H VAL 22 13.282 -5.532 -4.894 154 HA VAL 22 HA VAL 22 12.220 -3.216 -3.664 155 HB VAL 22 HB VAL 22 10.860 -5.137 -4.520 156 HG11 VAL 22 1HG1 VAL 22 10.830 -7.189 -3.553 157 HG12 VAL 22 2HG1 VAL 22 12.482 -6.738 -3.126 158 HG13 VAL 22 3HG1 VAL 22 11.184 -6.559 -1.944 159 HG21 VAL 22 3HG2 VAL 22 10.153 -3.343 -2.777 160 HG22 VAL 22 1HG2 VAL 22 9.113 -4.741 -3.054 161 HG23 VAL 22 2HG2 VAL 22 10.170 -4.693 -1.643 162 H MET 23 H MET 23 11.767 -2.869 -1.417 163 HA MET 23 HA MET 23 13.954 -3.067 0.266 164 HB2 MET 23 2HB MET 23 12.077 -1.496 0.591 165 HB3 MET 23 3HB MET 23 11.051 -2.838 1.079 166 HG2 MET 23 2HG MET 23 13.253 -3.058 2.731 167 HG3 MET 23 3HG MET 23 12.981 -1.321 2.611 168 HE1 MET 23 3HE MET 23 9.800 -4.256 3.027 169 HE2 MET 23 1HE MET 23 11.514 -4.665 2.961 170 HE3 MET 23 2HE MET 23 10.681 -4.603 4.515 171 H ASP 24 H ASP 24 11.194 -5.234 -0.073 172 HA ASP 24 HA ASP 24 11.646 -6.864 2.150 173 HB2 ASP 24 2HB ASP 24 10.054 -6.971 -0.275 174 HB3 ASP 24 3HB ASP 24 10.666 -8.563 0.164 175 H ARG 25 H ARG 25 13.050 -6.928 -1.079 176 HA ARG 25 HA ARG 25 14.666 -9.261 -0.358 177 HB2 ARG 25 2HB ARG 25 14.193 -7.860 -2.990 178 HB3 ARG 25 3HB ARG 25 15.353 -9.165 -2.785 179 HG2 ARG 25 2HG ARG 25 12.412 -9.409 -2.196 180 HG3 ARG 25 3HG ARG 25 13.169 -9.879 -3.720 181 HD2 ARG 25 2HD ARG 25 14.664 -11.397 -2.394 182 HD3 ARG 25 3HD ARG 25 13.669 -11.036 -0.984 183 HE ARG 25 HE ARG 25 13.002 -12.766 -3.179 184 HH11 ARG 25 1HH1 ARG 25 11.742 -10.778 -0.614 185 HH12 ARG 25 2HH1 ARG 25 10.237 -11.630 -0.515 186 HH21 ARG 25 1HH2 ARG 25 11.024 -13.897 -3.059 187 HH22 ARG 25 2HH2 ARG 25 9.830 -13.405 -1.906 188 H PHE 26 H PHE 26 14.839 -5.890 -0.451 189 HA PHE 26 HA PHE 26 17.516 -5.469 -1.205 190 HB2 PHE 26 2HB PHE 26 15.847 -3.658 -1.032 191 HB3 PHE 26 3HB PHE 26 15.826 -3.854 0.717 192 HD1 PHE 26 HD1 PHE 26 18.692 -3.810 -1.654 193 HD2 PHE 26 HD2 PHE 26 16.696 -1.897 1.582 194 HE1 PHE 26 HE1 PHE 26 20.552 -2.212 -1.457 195 HE2 PHE 26 HE2 PHE 26 18.553 -0.294 1.784 196 HZ PHE 26 HZ PHE 26 20.484 -0.452 0.264 197 H LEU 27 H LEU 27 16.030 -6.063 1.956 198 HA LEU 27 HA LEU 27 18.296 -5.730 3.547 199 HB2 LEU 27 2HB LEU 27 15.862 -6.062 4.240 200 HB3 LEU 27 3HB LEU 27 16.174 -7.789 4.077 201 HG LEU 27 HG LEU 27 17.846 -6.067 5.879 202 HD11 LEU 27 1HD1 LEU 27 16.210 -7.201 7.634 203 HD12 LEU 27 2HD1 LEU 27 15.079 -7.047 6.290 204 HD13 LEU 27 3HD1 LEU 27 15.885 -5.616 6.932 205 HD21 LEU 27 3HD2 LEU 27 17.613 -8.526 7.004 206 HD22 LEU 27 1HD2 LEU 27 18.919 -8.039 5.923 207 HD23 LEU 27 2HD2 LEU 27 17.532 -8.925 5.287 208 H GLU 28 H GLU 28 17.020 -8.684 2.030 209 HA GLU 28 HA GLU 28 19.123 -10.354 2.954 210 HB2 GLU 28 2HB GLU 28 16.750 -10.960 2.034 211 HB3 GLU 28 3HB GLU 28 17.557 -10.956 0.472 212 HG2 GLU 28 2HG GLU 28 18.832 -12.797 0.967 213 HG3 GLU 28 3HG GLU 28 18.737 -12.528 2.707 214 H SER 29 H SER 29 18.506 -8.705 -0.125 215 HA SER 29 HA SER 29 20.674 -9.690 -1.567 216 HB2 SER 29 2HB SER 29 19.160 -7.088 -1.716 217 HB3 SER 29 3HB SER 29 20.486 -7.450 -2.821 218 HG SER 29 HG SER 29 18.008 -8.769 -2.536 219 H PHE 30 H PHE 30 20.474 -6.958 0.661 220 HA PHE 30 HA PHE 30 23.094 -5.986 0.196 221 HB2 PHE 30 2HB PHE 30 22.187 -4.314 1.376 222 HB3 PHE 30 3HB PHE 30 20.869 -5.349 1.916 223 HD1 PHE 30 HD2 PHE 30 24.429 -4.548 2.637 224 HD2 PHE 30 HD1 PHE 30 20.693 -5.912 4.152 225 HE1 PHE 30 HE2 PHE 30 25.345 -4.510 4.920 226 HE2 PHE 30 HE1 PHE 30 21.602 -5.875 6.437 227 HZ PHE 30 HZ PHE 30 23.930 -5.173 6.824 228 H SER 31 H SER 31 21.729 -8.154 2.647 229 HA SER 31 HA SER 31 23.996 -8.508 4.217 230 HB2 SER 31 2HB SER 31 21.613 -9.354 4.633 231 HB3 SER 31 3HB SER 31 22.045 -10.731 3.619 232 HG SER 31 HG SER 31 22.379 -10.963 5.963 233 H GLU 32 H GLU 32 22.942 -10.334 1.358 234 HA GLU 32 HA GLU 32 25.224 -12.058 1.376 235 HB2 GLU 32 2HB GLU 32 22.915 -12.511 0.345 236 HB3 GLU 32 3HB GLU 32 23.462 -11.530 -1.007 237 HG2 GLU 32 2HG GLU 32 23.898 -13.716 -1.665 238 HG3 GLU 32 3HG GLU 32 25.461 -13.107 -1.122 239 H LEU 33 H LEU 33 24.295 -9.156 -0.419 240 HA LEU 33 HA LEU 33 26.378 -9.074 -2.257 241 HB2 LEU 33 2HB LEU 33 24.480 -7.588 -2.396 242 HB3 LEU 33 3HB LEU 33 24.939 -6.810 -0.883 243 HG LEU 33 HG LEU 33 25.420 -5.615 -3.127 244 HD11 LEU 33 1HD1 LEU 33 26.290 -5.153 -0.728 245 HD12 LEU 33 2HD1 LEU 33 27.086 -4.389 -2.102 246 HD13 LEU 33 3HD1 LEU 33 27.809 -5.806 -1.342 247 HD21 LEU 33 3HD2 LEU 33 26.676 -7.889 -3.793 248 HD22 LEU 33 1HD2 LEU 33 28.031 -6.994 -3.104 249 HD23 LEU 33 2HD2 LEU 33 27.116 -6.311 -4.449 250 H TYR 34 H TYR 34 26.272 -7.994 1.097 251 HA TYR 34 HA TYR 34 28.787 -6.694 1.100 252 HB2 TYR 34 2HB TYR 34 27.259 -6.155 2.847 253 HB3 TYR 34 3HB TYR 34 27.084 -7.844 3.310 254 HD1 TYR 34 HD1 TYR 34 28.825 -8.966 4.606 255 HD2 TYR 34 HD2 TYR 34 29.167 -4.855 3.565 256 HE1 TYR 34 HE1 TYR 34 30.609 -8.697 6.277 257 HE2 TYR 34 HE2 TYR 34 30.953 -4.575 5.232 258 HH TYR 34 HH TYR 34 32.185 -7.329 7.086 259 H ASP 35 H ASP 35 27.786 -10.011 1.594 260 HA ASP 35 HA ASP 35 30.279 -10.923 2.645 261 HB2 ASP 35 2HB ASP 35 27.695 -12.014 2.198 262 HB3 ASP 35 3HB ASP 35 28.853 -13.046 1.363 263 H ILE 36 H ILE 36 28.975 -10.450 -0.542 264 HA ILE 36 HA ILE 36 31.200 -11.896 -1.772 265 HB ILE 36 HB ILE 36 29.047 -12.354 -2.750 266 HG12 ILE 36 2HG1 ILE 36 31.264 -11.666 -4.162 267 HG13 ILE 36 3HG1 ILE 36 29.799 -12.321 -4.887 268 HG21 ILE 36 1HG2 ILE 36 28.842 -9.368 -3.077 269 HG22 ILE 36 2HG2 ILE 36 27.782 -10.516 -3.893 270 HG23 ILE 36 3HG2 ILE 36 27.794 -10.425 -2.132 271 HD11 ILE 36 3HD1 ILE 36 29.080 -10.207 -5.595 272 HD12 ILE 36 1HD1 ILE 36 30.234 -9.374 -4.554 273 HD13 ILE 36 2HD1 ILE 36 30.803 -10.265 -5.966 274 H ILE 37 H ILE 37 30.236 -8.725 -0.946 275 HA ILE 37 HA ILE 37 31.473 -7.202 -2.939 276 HB ILE 37 HB ILE 37 29.950 -6.400 -1.042 277 HG12 ILE 37 2HG1 ILE 37 31.168 -4.151 -0.968 278 HG13 ILE 37 3HG1 ILE 37 32.426 -4.922 -1.927 279 HG21 ILE 37 1HG2 ILE 37 31.944 -7.340 0.562 280 HG22 ILE 37 2HG2 ILE 37 32.290 -5.612 0.530 281 HG23 ILE 37 3HG2 ILE 37 30.707 -6.185 1.057 282 HD11 ILE 37 3HD1 ILE 37 30.284 -5.556 -3.403 283 HD12 ILE 37 1HD1 ILE 37 29.726 -4.041 -2.695 284 HD13 ILE 37 2HD1 ILE 37 31.223 -4.081 -3.628 285 H ASP 38 H ASP 38 32.831 -9.162 -0.498 286 HA ASP 38 HA ASP 38 35.293 -7.815 -0.116 287 HB2 ASP 38 2HB ASP 38 34.247 -9.702 1.296 288 HB3 ASP 38 3HB ASP 38 34.950 -10.797 0.108 289 H GLU 39 H GLU 39 34.094 -9.958 -2.575 290 HA GLU 39 HA GLU 39 36.618 -10.709 -3.654 291 HB2 GLU 39 2HB GLU 39 33.831 -10.726 -4.810 292 HB3 GLU 39 3HB GLU 39 35.234 -11.332 -5.678 293 HG2 GLU 39 2HG GLU 39 34.296 -12.363 -3.012 294 HG3 GLU 39 3HG GLU 39 33.916 -13.098 -4.569 295 H ASN 40 H ASN 40 36.970 -10.196 -6.121 296 HA ASN 40 HA ASN 40 36.428 -7.395 -6.728 297 HB2 ASN 40 2HB ASN 40 38.614 -7.567 -5.443 298 HB3 ASN 40 3HB ASN 40 39.253 -8.455 -6.823 299 HD21 ASN 40 1HD2 ASN 40 37.589 -5.435 -6.018 300 HD22 ASN 40 2HD2 ASN 40 38.418 -4.466 -7.184 301 H ASP 41 H ASP 41 35.897 -10.231 -7.752 302 HA ASP 41 HA ASP 41 37.054 -10.024 -10.433 303 HB2 ASP 41 2HB ASP 41 35.795 -12.225 -8.852 304 HB3 ASP 41 3HB ASP 41 35.730 -12.309 -10.610 305 H THR 42 H THR 42 35.878 -9.608 -12.229 306 HA THR 42 HA THR 42 33.331 -8.370 -11.928 307 HB THR 42 HB THR 42 33.358 -8.080 -14.343 308 HG1 THR 42 HG1 THR 42 35.157 -9.011 -15.522 309 HG21 THR 42 3HG2 THR 42 34.979 -6.829 -12.690 310 HG22 THR 42 1HG2 THR 42 35.109 -6.588 -14.431 311 HG23 THR 42 2HG2 THR 42 36.222 -7.680 -13.607 312 H ASP 43 H ASP 43 34.408 -11.559 -12.840 313 HA ASP 43 HA ASP 43 32.024 -12.454 -14.065 314 HB2 ASP 43 2HB ASP 43 34.445 -13.508 -13.948 315 HB3 ASP 43 3HB ASP 43 33.773 -14.348 -12.553 316 H VAL 44 H VAL 44 33.232 -12.737 -10.735 317 HA VAL 44 HA VAL 44 30.956 -14.136 -9.763 318 HB VAL 44 HB VAL 44 33.081 -14.261 -8.587 319 HG11 VAL 44 1HG1 VAL 44 34.024 -12.396 -7.392 320 HG12 VAL 44 2HG1 VAL 44 33.814 -11.944 -9.085 321 HG13 VAL 44 3HG1 VAL 44 32.678 -11.361 -7.868 322 HG21 VAL 44 3HG2 VAL 44 31.747 -12.948 -6.417 323 HG22 VAL 44 1HG2 VAL 44 30.569 -13.806 -7.410 324 HG23 VAL 44 2HG2 VAL 44 31.942 -14.674 -6.723 325 H MET 45 H MET 45 31.874 -10.730 -9.876 326 HA MET 45 HA MET 45 29.705 -9.790 -8.300 327 HB2 MET 45 2HB MET 45 31.803 -8.582 -10.007 328 HB3 MET 45 3HB MET 45 30.349 -7.623 -9.768 329 HG2 MET 45 2HG MET 45 30.758 -8.223 -7.246 330 HG3 MET 45 3HG MET 45 32.412 -8.466 -7.804 331 HE1 MET 45 3HE MET 45 30.150 -4.733 -6.949 332 HE2 MET 45 1HE MET 45 29.644 -5.288 -8.545 333 HE3 MET 45 2HE MET 45 29.523 -6.369 -7.157 334 H MET 46 H MET 46 30.238 -10.073 -11.794 335 HA MET 46 HA MET 46 27.768 -8.902 -12.547 336 HB2 MET 46 2HB MET 46 28.291 -9.549 -14.750 337 HB3 MET 46 3HB MET 46 29.846 -9.233 -13.992 338 HG2 MET 46 2HG MET 46 30.209 -11.605 -13.678 339 HG3 MET 46 3HG MET 46 28.617 -11.957 -14.348 340 HE1 MET 46 3HE MET 46 32.004 -10.025 -16.802 341 HE2 MET 46 1HE MET 46 31.314 -9.385 -15.310 342 HE3 MET 46 2HE MET 46 32.356 -10.807 -15.260 343 H ASP 47 H ASP 47 28.789 -12.199 -11.866 344 HA ASP 47 HA ASP 47 26.404 -13.450 -12.782 345 HB2 ASP 47 2HB ASP 47 28.445 -14.738 -12.587 346 HB3 ASP 47 3HB ASP 47 28.538 -14.398 -10.861 347 H PHE 48 H PHE 48 27.524 -12.322 -9.622 348 HA PHE 48 HA PHE 48 25.271 -13.294 -8.181 349 HB2 PHE 48 2HB PHE 48 27.233 -12.901 -6.914 350 HB3 PHE 48 3HB PHE 48 27.414 -11.270 -7.552 351 HD1 PHE 48 HD1 PHE 48 25.651 -13.384 -5.150 352 HD2 PHE 48 HD2 PHE 48 26.109 -9.437 -6.676 353 HE1 PHE 48 HE1 PHE 48 24.438 -12.494 -3.203 354 HE2 PHE 48 HE2 PHE 48 24.898 -8.541 -4.731 355 HZ PHE 48 HZ PHE 48 24.061 -10.070 -2.991 356 H ILE 49 H ILE 49 26.146 -10.113 -9.488 357 HA ILE 49 HA ILE 49 23.888 -8.726 -8.548 358 HB ILE 49 HB ILE 49 25.990 -8.225 -10.555 359 HG12 ILE 49 2HG1 ILE 49 25.614 -5.883 -9.391 360 HG13 ILE 49 3HG1 ILE 49 24.726 -6.851 -8.218 361 HG21 ILE 49 1HG2 ILE 49 24.195 -7.761 -12.015 362 HG22 ILE 49 2HG2 ILE 49 23.271 -6.959 -10.745 363 HG23 ILE 49 3HG2 ILE 49 24.725 -6.199 -11.392 364 HD11 ILE 49 3HD1 ILE 49 26.849 -8.304 -8.150 365 HD12 ILE 49 1HD1 ILE 49 27.633 -6.914 -8.901 366 HD13 ILE 49 2HD1 ILE 49 26.855 -6.745 -7.327 367 H SER 50 H SER 50 24.522 -10.284 -11.681 368 HA SER 50 HA SER 50 22.054 -9.640 -12.865 369 HB2 SER 50 2HB SER 50 24.134 -10.501 -14.037 370 HB3 SER 50 3HB SER 50 23.687 -12.110 -13.469 371 HG SER 50 HG SER 50 22.838 -10.918 -15.630 372 H ARG 51 H ARG 51 23.075 -12.351 -10.863 373 HA ARG 51 HA ARG 51 20.647 -13.828 -11.193 374 HB2 ARG 51 2HB ARG 51 23.068 -14.058 -9.457 375 HB3 ARG 51 3HB ARG 51 21.623 -14.955 -9.013 376 HG2 ARG 51 2HG ARG 51 21.700 -16.275 -10.920 377 HG3 ARG 51 3HG ARG 51 22.741 -15.139 -11.780 378 HD2 ARG 51 2HD ARG 51 24.583 -16.124 -11.008 379 HD3 ARG 51 3HD ARG 51 23.989 -16.073 -9.349 380 HE ARG 51 HE ARG 51 23.899 -18.308 -11.155 381 HH11 ARG 51 1HH1 ARG 51 22.475 -16.838 -8.339 382 HH12 ARG 51 2HH1 ARG 51 21.854 -18.330 -7.714 383 HH21 ARG 51 1HH2 ARG 51 23.087 -20.278 -10.343 384 HH22 ARG 51 2HH2 ARG 51 22.203 -20.286 -8.854 385 H PHE 52 H PHE 52 21.796 -11.374 -9.000 386 HA PHE 52 HA PHE 52 19.544 -11.742 -7.194 387 HB2 PHE 52 2HB PHE 52 22.092 -10.226 -7.137 388 HB3 PHE 52 3HB PHE 52 20.739 -9.514 -6.265 389 HD1 PHE 52 HD1 PHE 52 21.637 -13.092 -6.706 390 HD2 PHE 52 HD2 PHE 52 21.257 -9.808 -4.026 391 HE1 PHE 52 HE1 PHE 52 22.077 -14.595 -4.808 392 HE2 PHE 52 HE2 PHE 52 21.697 -11.305 -2.124 393 HZ PHE 52 HZ PHE 52 22.106 -13.702 -2.513 394 H ALA 53 H ALA 53 20.205 -10.087 -10.037 395 HA ALA 53 HA ALA 53 18.113 -8.088 -9.475 396 HB1 ALA 53 1HB ALA 53 19.978 -7.790 -11.780 397 HB2 ALA 53 2HB ALA 53 19.168 -6.554 -10.817 398 HB3 ALA 53 3HB ALA 53 20.555 -7.419 -10.156 399 H ARG 54 H ARG 54 17.631 -7.343 -12.129 400 HA ARG 54 HA ARG 54 16.451 -7.903 -13.998 401 HB2 ARG 54 2HB ARG 54 18.272 -9.803 -13.995 402 HB3 ARG 54 3HB ARG 54 16.910 -10.823 -13.550 403 HG2 ARG 54 2HG ARG 54 15.832 -10.491 -15.573 404 HG3 ARG 54 3HG ARG 54 16.733 -9.014 -15.922 405 HD2 ARG 54 2HD ARG 54 17.724 -10.540 -17.348 406 HD3 ARG 54 3HD ARG 54 18.798 -10.581 -15.951 407 HE ARG 54 HE ARG 54 16.999 -12.559 -15.454 408 HH11 ARG 54 1HH1 ARG 54 19.112 -11.801 -18.115 409 HH12 ARG 54 2HH1 ARG 54 19.330 -13.455 -18.584 410 HH21 ARG 54 1HH2 ARG 54 17.277 -14.740 -16.061 411 HH22 ARG 54 2HH2 ARG 54 18.285 -15.126 -17.415 412 H THR 55 H THR 55 14.927 -7.327 -11.970 413 HA THR 55 HA THR 55 12.984 -9.513 -11.654 414 HB THR 55 HB THR 55 12.068 -8.194 -9.762 415 HG1 THR 55 HG1 THR 55 13.658 -6.490 -9.030 416 HG21 THR 55 3HG2 THR 55 13.796 -8.727 -8.200 417 HG22 THR 55 1HG2 THR 55 15.036 -8.639 -9.450 418 HG23 THR 55 2HG2 THR 55 13.849 -9.944 -9.475 419 H ASP 56 H ASP 56 12.656 -5.975 -11.515 420 HA ASP 56 HA ASP 56 11.286 -5.595 -13.904 421 HB2 ASP 56 2HB ASP 56 9.708 -7.034 -12.102 422 HB3 ASP 56 3HB ASP 56 9.106 -5.381 -12.003 423 H GLU 57 H GLU 57 9.461 -3.654 -13.329 424 HA GLU 57 HA GLU 57 11.136 -1.632 -12.009 425 HB2 GLU 57 2HB GLU 57 10.075 0.016 -13.368 426 HB3 GLU 57 3HB GLU 57 10.517 -1.317 -14.426 427 HG2 GLU 57 2HG GLU 57 8.090 -2.127 -13.984 428 HG3 GLU 57 3HG GLU 57 7.817 -0.454 -13.499 429 H ILE 58 H ILE 58 9.188 0.334 -11.669 430 HA ILE 58 HA ILE 58 7.623 -0.837 -9.472 431 HB ILE 58 HB ILE 58 7.431 1.658 -8.791 432 HG12 ILE 58 2HG1 ILE 58 8.590 2.211 -11.107 433 HG13 ILE 58 3HG1 ILE 58 8.897 3.195 -9.680 434 HG21 ILE 58 1HG2 ILE 58 8.625 0.066 -7.460 435 HG22 ILE 58 2HG2 ILE 58 9.992 0.087 -8.573 436 HG23 ILE 58 3HG2 ILE 58 9.620 1.515 -7.609 437 HD11 ILE 58 3HD1 ILE 58 10.863 2.377 -11.174 438 HD12 ILE 58 1HD1 ILE 58 11.025 2.388 -9.418 439 HD13 ILE 58 2HD1 ILE 58 10.674 0.879 -10.263 440 H MET 59 H MET 59 5.470 -0.844 -9.558 441 HA MET 59 HA MET 59 4.126 0.140 -11.892 442 HB2 MET 59 2HB MET 59 3.493 -1.588 -9.619 443 HB3 MET 59 3HB MET 59 2.144 -0.574 -10.111 444 HG2 MET 59 2HG MET 59 1.848 -1.670 -12.050 445 HG3 MET 59 3HG MET 59 3.574 -1.929 -12.292 446 HE1 MET 59 3HE MET 59 2.061 -5.548 -12.403 447 HE2 MET 59 1HE MET 59 1.600 -4.023 -13.159 448 HE3 MET 59 2HE MET 59 3.292 -4.518 -13.135 449 HA PRO 60 HA PRO 60 2.604 4.024 -10.533 450 HB2 PRO 60 2HB PRO 60 0.001 3.993 -11.303 451 HB3 PRO 60 3HB PRO 60 1.341 4.122 -12.449 452 HG2 PRO 60 2HG PRO 60 -0.262 1.716 -11.673 453 HG3 PRO 60 3HG PRO 60 0.276 2.230 -13.282 454 HD2 PRO 60 2HD PRO 60 1.543 0.298 -11.871 455 HD3 PRO 60 3HD PRO 60 2.400 1.388 -12.979 456 H GLU 61 H GLU 61 1.152 1.157 -9.300 457 HA GLU 61 HA GLU 61 -0.507 2.544 -7.368 458 HB2 GLU 61 2HB GLU 61 -1.329 0.428 -6.743 459 HB3 GLU 61 3HB GLU 61 -1.092 0.324 -8.482 460 HG2 GLU 61 2HG GLU 61 1.226 -0.654 -7.843 461 HG3 GLU 61 3HG GLU 61 0.464 -0.954 -6.282 462 H ASP 62 H ASP 62 2.689 1.343 -7.590 463 HA ASP 62 HA ASP 62 3.019 1.594 -4.672 464 HB2 ASP 62 2HB ASP 62 5.086 0.199 -6.294 465 HB3 ASP 62 3HB ASP 62 4.533 -0.127 -4.654 466 H LYS 63 H LYS 63 5.811 1.701 -4.647 467 HA LYS 63 HA LYS 63 6.650 3.903 -6.329 468 HB2 LYS 63 2HB LYS 63 7.346 4.803 -3.762 469 HB3 LYS 63 3HB LYS 63 6.197 5.534 -4.874 470 HG2 LYS 63 2HG LYS 63 4.388 4.259 -3.901 471 HG3 LYS 63 3HG LYS 63 5.521 3.420 -2.839 472 HD2 LYS 63 2HD LYS 63 5.979 5.385 -1.612 473 HD3 LYS 63 3HD LYS 63 5.218 6.413 -2.829 474 HE2 LYS 63 2HE LYS 63 3.131 4.855 -2.207 475 HE3 LYS 63 3HE LYS 63 4.002 4.785 -0.676 476 HZ1 LYS 63 3HZ LYS 63 2.364 6.829 -1.613 477 HZ2 LYS 63 1HZ LYS 63 3.939 7.446 -1.585 478 HZ3 LYS 63 2HZ LYS 63 3.261 6.795 -0.179 479 H THR 64 H THR 64 8.928 4.687 -5.329 480 HA THR 64 HA THR 64 10.444 2.220 -4.768 481 HB THR 64 HB THR 64 10.828 4.265 -6.815 482 HG1 THR 64 HG1 THR 64 12.232 1.823 -6.478 483 HG21 THR 64 3HG2 THR 64 13.331 4.189 -6.641 484 HG22 THR 64 1HG2 THR 64 13.136 3.528 -5.018 485 HG23 THR 64 2HG2 THR 64 12.536 5.145 -5.390 486 H VAL 65 H VAL 65 11.556 2.197 -2.930 487 HA VAL 65 HA VAL 65 11.467 4.146 -0.989 488 HB VAL 65 HB VAL 65 13.895 2.406 -1.183 489 HG11 VAL 65 1HG1 VAL 65 13.251 2.120 1.281 490 HG12 VAL 65 2HG1 VAL 65 13.871 3.691 0.770 491 HG13 VAL 65 3HG1 VAL 65 12.139 3.460 1.009 492 HG21 VAL 65 3HG2 VAL 65 11.142 1.492 -1.314 493 HG22 VAL 65 1HG2 VAL 65 12.643 0.594 -1.540 494 HG23 VAL 65 2HG2 VAL 65 11.999 0.841 0.083 495 H GLY 66 H GLY 66 14.029 3.589 -3.389 496 HA2 GLY 66 2HA GLY 66 14.716 6.098 -4.035 497 HA3 GLY 66 3HA GLY 66 15.499 5.919 -2.472 498 H PHE 67 H PHE 67 17.450 6.334 -3.780 499 HA PHE 67 HA PHE 67 18.464 3.817 -4.923 500 HB2 PHE 67 2HB PHE 67 19.648 5.004 -6.629 501 HB3 PHE 67 3HB PHE 67 17.983 5.575 -6.663 502 HD1 PHE 67 HD1 PHE 67 21.445 6.438 -5.876 503 HD2 PHE 67 HD2 PHE 67 17.422 7.823 -5.989 504 HE1 PHE 67 HE1 PHE 67 22.240 8.754 -5.645 505 HE2 PHE 67 HE2 PHE 67 18.211 10.143 -5.760 506 HZ PHE 67 HZ PHE 67 20.622 10.611 -5.587 507 H VAL 68 H VAL 68 20.494 3.203 -4.330 508 HA VAL 68 HA VAL 68 21.885 4.955 -2.408 509 HB VAL 68 HB VAL 68 21.841 1.934 -2.484 510 HG11 VAL 68 1HG1 VAL 68 22.958 2.457 -0.138 511 HG12 VAL 68 2HG1 VAL 68 23.916 2.299 -1.612 512 HG13 VAL 68 3HG1 VAL 68 23.498 3.899 -0.998 513 HG21 VAL 68 3HG2 VAL 68 20.325 3.971 -0.969 514 HG22 VAL 68 1HG2 VAL 68 19.861 2.342 -1.463 515 HG23 VAL 68 2HG2 VAL 68 20.901 2.575 -0.058 516 H VAL 69 H VAL 69 23.931 5.502 -2.837 517 HA VAL 69 HA VAL 69 25.249 4.197 -5.124 518 HB VAL 69 HB VAL 69 25.823 6.933 -3.978 519 HG11 VAL 69 1HG1 VAL 69 27.548 7.074 -5.388 520 HG12 VAL 69 2HG1 VAL 69 27.412 5.322 -5.555 521 HG13 VAL 69 3HG1 VAL 69 26.621 6.384 -6.720 522 HG21 VAL 69 3HG2 VAL 69 23.861 7.451 -4.960 523 HG22 VAL 69 1HG2 VAL 69 24.811 7.392 -6.444 524 HG23 VAL 69 2HG2 VAL 69 23.853 5.995 -5.954 525 H VAL 70 H VAL 70 26.882 2.895 -4.659 526 HA VAL 70 HA VAL 70 28.497 3.455 -2.256 527 HB VAL 70 HB VAL 70 27.896 0.704 -3.348 528 HG11 VAL 70 1HG1 VAL 70 29.595 0.071 -2.066 529 HG12 VAL 70 2HG1 VAL 70 29.814 1.718 -1.471 530 HG13 VAL 70 3HG1 VAL 70 28.693 0.627 -0.657 531 HG21 VAL 70 3HG2 VAL 70 26.511 2.370 -1.307 532 HG22 VAL 70 1HG2 VAL 70 25.847 1.228 -2.475 533 HG23 VAL 70 2HG2 VAL 70 26.652 0.635 -1.022 534 H ASN 71 H ASN 71 30.509 3.979 -2.768 535 HA ASN 71 HA ASN 71 31.701 2.794 -5.189 536 HB2 ASN 71 2HB ASN 71 32.450 5.454 -3.966 537 HB3 ASN 71 3HB ASN 71 32.969 4.807 -5.520 538 HD21 ASN 71 1HD2 ASN 71 30.482 6.422 -3.780 539 HD22 ASN 71 2HD2 ASN 71 29.456 6.757 -5.129 540 H ALA 72 H ALA 72 33.053 1.233 -4.583 541 HA ALA 72 HA ALA 72 34.325 1.140 -2.038 542 HB1 ALA 72 1HB ALA 72 33.689 -0.844 -3.448 543 HB2 ALA 72 2HB ALA 72 35.080 -0.470 -4.467 544 HB3 ALA 72 3HB ALA 72 35.316 -0.888 -2.770 545 H ASP 73 H ASP 73 35.311 2.186 -5.242 546 HA ASP 73 HA ASP 73 38.073 2.342 -4.843 547 HB2 ASP 73 2HB ASP 73 38.159 3.531 -6.827 548 HB3 ASP 73 3HB ASP 73 36.605 2.717 -6.986 549 H LYS 74 H LYS 74 35.490 4.575 -3.999 550 HA LYS 74 HA LYS 74 37.418 6.505 -2.954 551 HB2 LYS 74 2HB LYS 74 35.300 7.091 -4.328 552 HB3 LYS 74 3HB LYS 74 34.429 6.801 -2.828 553 HG2 LYS 74 2HG LYS 74 34.869 9.152 -3.068 554 HG3 LYS 74 3HG LYS 74 35.814 8.511 -1.722 555 HD2 LYS 74 2HD LYS 74 37.814 8.546 -2.989 556 HD3 LYS 74 3HD LYS 74 36.938 8.811 -4.498 557 HE2 LYS 74 2HE LYS 74 37.708 10.931 -4.054 558 HE3 LYS 74 3HE LYS 74 36.118 10.983 -3.294 559 HZ1 LYS 74 3HZ LYS 74 37.334 10.290 -1.192 560 HZ2 LYS 74 1HZ LYS 74 37.570 11.878 -1.724 561 HZ3 LYS 74 2HZ LYS 74 38.761 10.709 -1.998 562 H LYS 75 H LYS 75 35.432 3.940 -1.900 563 HA LYS 75 HA LYS 75 35.169 2.980 0.152 564 HB2 LYS 75 2HB LYS 75 37.579 3.948 0.417 565 HB3 LYS 75 3HB LYS 75 36.795 5.146 1.440 566 HG2 LYS 75 2HG LYS 75 37.122 3.703 3.100 567 HG3 LYS 75 3HG LYS 75 35.786 2.784 2.402 568 HD2 LYS 75 2HD LYS 75 37.556 1.244 2.688 569 HD3 LYS 75 3HD LYS 75 37.516 1.620 0.964 570 HE2 LYS 75 2HE LYS 75 39.592 2.423 1.018 571 HE3 LYS 75 3HE LYS 75 39.218 3.463 2.392 572 HZ1 LYS 75 3HZ LYS 75 39.680 1.683 3.890 573 HZ2 LYS 75 1HZ LYS 75 40.991 1.813 2.828 574 HZ3 LYS 75 2HZ LYS 75 39.857 0.574 2.625 575 H LEU 76 H LEU 76 33.326 4.895 -0.852 576 HA LEU 76 HA LEU 76 32.096 5.706 1.670 577 HB2 LEU 76 2HB LEU 76 31.380 7.852 0.384 578 HB3 LEU 76 3HB LEU 76 32.948 7.777 1.184 579 HG LEU 76 HG LEU 76 33.971 7.234 -1.027 580 HD11 LEU 76 1HD1 LEU 76 32.264 6.346 -2.329 581 HD12 LEU 76 2HD1 LEU 76 32.483 7.963 -2.997 582 HD13 LEU 76 3HD1 LEU 76 31.136 7.635 -1.907 583 HD21 LEU 76 3HD2 LEU 76 34.362 9.422 -0.595 584 HD22 LEU 76 1HD2 LEU 76 32.658 9.787 -0.318 585 HD23 LEU 76 2HD2 LEU 76 33.272 9.640 -1.965 586 H MET 77 H MET 77 29.836 5.826 1.615 587 HA MET 77 HA MET 77 28.486 5.187 -0.889 588 HB2 MET 77 2HB MET 77 27.181 3.370 0.285 589 HB3 MET 77 3HB MET 77 28.860 2.987 -0.072 590 HG2 MET 77 2HG MET 77 29.422 2.827 2.091 591 HG3 MET 77 3HG MET 77 28.402 4.184 2.564 592 HE1 MET 77 3HE MET 77 24.876 2.504 2.810 593 HE2 MET 77 1HE MET 77 25.803 3.969 3.133 594 HE3 MET 77 2HE MET 77 25.594 3.406 1.475 595 H SER 78 H SER 78 26.648 6.297 -1.082 596 HA SER 78 HA SER 78 25.465 7.446 1.361 597 HB2 SER 78 2HB SER 78 25.094 8.703 -1.336 598 HB3 SER 78 3HB SER 78 25.040 9.451 0.261 599 HG SER 78 HG SER 78 26.976 10.055 -0.469 600 H VAL 79 H VAL 79 23.288 7.300 1.660 601 HA VAL 79 HA VAL 79 21.792 5.750 -0.354 602 HB VAL 79 HB VAL 79 21.389 5.815 2.640 603 HG11 VAL 79 1HG1 VAL 79 19.316 5.122 2.250 604 HG12 VAL 79 2HG1 VAL 79 19.603 5.121 0.508 605 HG13 VAL 79 3HG1 VAL 79 19.978 3.688 1.466 606 HG21 VAL 79 3HG2 VAL 79 22.796 4.099 2.761 607 HG22 VAL 79 1HG2 VAL 79 21.869 3.216 1.548 608 HG23 VAL 79 2HG2 VAL 79 23.162 4.307 1.049 609 H SER 80 H SER 80 20.223 6.820 -1.342 610 HA SER 80 HA SER 80 19.007 9.125 0.035 611 HB2 SER 80 2HB SER 80 19.509 8.647 -2.907 612 HB3 SER 80 3HB SER 80 18.479 9.944 -2.301 613 HG SER 80 HG SER 80 21.257 9.615 -2.070 614 H PHE 81 H PHE 81 16.966 8.864 0.615 615 HA PHE 81 HA PHE 81 15.209 7.201 -1.050 616 HB2 PHE 81 2HB PHE 81 14.144 6.509 1.229 617 HB3 PHE 81 3HB PHE 81 15.592 5.681 0.667 618 HD1 PHE 81 HD2 PHE 81 14.571 8.591 2.758 619 HD2 PHE 81 HD1 PHE 81 17.372 5.452 2.107 620 HE1 PHE 81 HE2 PHE 81 15.715 9.181 4.856 621 HE2 PHE 81 HE1 PHE 81 18.519 6.036 4.203 622 HZ PHE 81 HZ PHE 81 17.691 7.902 5.581 623 H SER 82 H SER 82 13.057 7.828 -1.121 624 HA SER 82 HA SER 82 12.479 10.441 0.115 625 HB2 SER 82 2HB SER 82 11.855 9.336 -2.598 626 HB3 SER 82 3HB SER 82 10.769 10.528 -1.884 627 HG SER 82 HG SER 82 12.167 11.875 -2.716 628 H ASP 83 H ASP 83 10.373 10.825 0.886 629 HA ASP 83 HA ASP 83 8.778 10.039 2.407 630 HB2 ASP 83 2HB ASP 83 7.842 9.155 -0.330 631 HB3 ASP 83 3HB ASP 83 6.803 9.257 1.089 632 H ILE 84 H ILE 84 10.085 8.447 3.513 633 HA ILE 84 HA ILE 84 9.201 5.702 2.915 634 HB ILE 84 HB ILE 84 11.339 4.821 3.625 635 HG12 ILE 84 2HG1 ILE 84 12.911 7.237 3.616 636 HG13 ILE 84 3HG1 ILE 84 11.645 7.349 4.833 637 HG21 ILE 84 1HG2 ILE 84 12.568 5.311 1.706 638 HG22 ILE 84 2HG2 ILE 84 10.907 5.671 1.240 639 HG23 ILE 84 3HG2 ILE 84 12.008 6.982 1.659 640 HD11 ILE 84 3HD1 ILE 84 12.445 5.494 5.998 641 HD12 ILE 84 1HD1 ILE 84 13.428 4.952 4.638 642 HD13 ILE 84 2HD1 ILE 84 13.891 6.394 5.543 643 H ASP 85 H ASP 85 8.789 4.368 4.679 644 HA ASP 85 HA ASP 85 7.996 5.736 7.075 645 HB2 ASP 85 2HB ASP 85 7.039 3.551 5.811 646 HB3 ASP 85 3HB ASP 85 8.033 2.774 7.041 647 H GLU 86 H GLU 86 8.635 5.044 9.241 648 HA GLU 86 HA GLU 86 11.461 5.018 9.527 649 HB2 GLU 86 2HB GLU 86 11.034 4.931 11.922 650 HB3 GLU 86 3HB GLU 86 9.971 6.103 11.155 651 HG2 GLU 86 2HG GLU 86 8.237 4.229 11.104 652 HG3 GLU 86 3HG GLU 86 9.295 3.394 12.241 653 H ASN 87 H ASN 87 9.036 2.549 9.408 654 HA ASN 87 HA ASN 87 10.337 0.473 10.755 655 HB2 ASN 87 2HB ASN 87 7.943 0.529 9.867 656 HB3 ASN 87 3HB ASN 87 8.622 0.081 8.305 657 HD21 ASN 87 1HD2 ASN 87 7.880 -1.938 8.078 658 HD22 ASN 87 2HD2 ASN 87 8.209 -3.237 9.169 659 H MET 88 H MET 88 10.422 1.360 7.311 660 HA MET 88 HA MET 88 12.345 -0.666 6.666 661 HB2 MET 88 2HB MET 88 12.436 0.486 4.460 662 HB3 MET 88 3HB MET 88 10.807 0.045 4.955 663 HG2 MET 88 2HG MET 88 10.676 2.454 5.863 664 HG3 MET 88 3HG MET 88 12.070 2.749 4.827 665 HE1 MET 88 3HE MET 88 10.507 0.252 2.476 666 HE2 MET 88 1HE MET 88 10.677 1.611 1.364 667 HE3 MET 88 2HE MET 88 11.955 1.257 2.527 668 H LYS 89 H LYS 89 12.446 2.708 7.564 669 HA LYS 89 HA LYS 89 14.946 3.481 6.713 670 HB2 LYS 89 2HB LYS 89 13.019 4.553 8.352 671 HB3 LYS 89 3HB LYS 89 14.359 4.311 9.465 672 HG2 LYS 89 2HG LYS 89 15.431 5.460 7.123 673 HG3 LYS 89 3HG LYS 89 13.976 6.371 7.536 674 HD2 LYS 89 2HD LYS 89 15.309 7.486 8.953 675 HD3 LYS 89 3HD LYS 89 15.169 6.055 9.978 676 HE2 LYS 89 2HE LYS 89 17.175 5.344 8.261 677 HE3 LYS 89 3HE LYS 89 17.456 7.073 8.459 678 HZ1 LYS 89 3HZ LYS 89 18.481 6.536 10.339 679 HZ2 LYS 89 1HZ LYS 89 17.911 4.943 10.304 680 HZ3 LYS 89 2HZ LYS 89 16.963 6.164 10.989 681 H LYS 90 H LYS 90 14.093 1.509 9.508 682 HA LYS 90 HA LYS 90 16.588 1.436 10.765 683 HB2 LYS 90 2HB LYS 90 15.786 -0.443 11.970 684 HB3 LYS 90 3HB LYS 90 14.384 0.573 11.662 685 HG2 LYS 90 2HG LYS 90 13.467 -1.393 11.061 686 HG3 LYS 90 3HG LYS 90 14.243 -1.025 9.519 687 HD2 LYS 90 2HD LYS 90 14.791 -3.276 10.044 688 HD3 LYS 90 3HD LYS 90 16.242 -2.316 10.341 689 HE2 LYS 90 2HE LYS 90 14.806 -2.304 12.748 690 HE3 LYS 90 3HE LYS 90 14.732 -3.962 12.155 691 HZ1 LYS 90 3HZ LYS 90 16.794 -4.248 12.866 692 HZ2 LYS 90 1HZ LYS 90 16.886 -2.638 13.376 693 HZ3 LYS 90 2HZ LYS 90 17.343 -3.054 11.802 694 H VAL 91 H VAL 91 15.283 -0.481 8.110 695 HA VAL 91 HA VAL 91 17.461 -2.315 7.992 696 HB VAL 91 HB VAL 91 16.367 -3.318 6.276 697 HG11 VAL 91 1HG1 VAL 91 14.074 -1.526 7.015 698 HG12 VAL 91 2HG1 VAL 91 14.044 -3.238 6.588 699 HG13 VAL 91 3HG1 VAL 91 14.719 -2.725 8.135 700 HG21 VAL 91 3HG2 VAL 91 15.073 -2.036 4.533 701 HG22 VAL 91 1HG2 VAL 91 15.682 -0.560 5.282 702 HG23 VAL 91 2HG2 VAL 91 16.807 -1.719 4.575 703 H ILE 92 H ILE 92 16.716 0.743 6.417 704 HA ILE 92 HA ILE 92 18.812 0.653 4.511 705 HB ILE 92 HB ILE 92 17.692 3.207 5.628 706 HG12 ILE 92 2HG1 ILE 92 16.363 1.216 3.796 707 HG13 ILE 92 3HG1 ILE 92 15.719 1.948 5.262 708 HG21 ILE 92 1HG2 ILE 92 18.113 4.079 3.452 709 HG22 ILE 92 2HG2 ILE 92 19.561 3.211 3.960 710 HG23 ILE 92 3HG2 ILE 92 18.448 2.473 2.808 711 HD11 ILE 92 3HD1 ILE 92 14.600 2.993 3.496 712 HD12 ILE 92 1HD1 ILE 92 15.820 4.155 4.015 713 HD13 ILE 92 2HD1 ILE 92 16.082 3.192 2.561 714 H LYS 93 H LYS 93 18.534 2.184 7.704 715 HA LYS 93 HA LYS 93 21.105 3.343 7.718 716 HB2 LYS 93 2HB LYS 93 18.885 3.261 9.439 717 HB3 LYS 93 3HB LYS 93 20.228 2.610 10.369 718 HG2 LYS 93 2HG LYS 93 21.491 4.709 9.458 719 HG3 LYS 93 3HG LYS 93 19.856 5.335 9.229 720 HD2 LYS 93 2HD LYS 93 20.093 6.020 11.364 721 HD3 LYS 93 3HD LYS 93 19.664 4.350 11.741 722 HE2 LYS 93 2HE LYS 93 21.827 3.772 12.263 723 HE3 LYS 93 3HE LYS 93 22.523 5.024 11.236 724 HZ1 LYS 93 3HZ LYS 93 20.956 5.915 13.528 725 HZ2 LYS 93 1HZ LYS 93 22.361 6.574 12.855 726 HZ3 LYS 93 2HZ LYS 93 22.461 5.217 13.860 727 H ALA 94 H ALA 94 19.893 0.236 8.908 728 HA ALA 94 HA ALA 94 22.283 -0.627 10.123 729 HB1 ALA 94 1HB ALA 94 21.283 -2.919 9.865 730 HB2 ALA 94 2HB ALA 94 20.261 -1.739 10.686 731 HB3 ALA 94 3HB ALA 94 19.946 -2.158 9.003 732 H THR 95 H THR 95 21.077 -0.875 6.824 733 HA THR 95 HA THR 95 23.061 -2.667 5.880 734 HB THR 95 HB THR 95 21.341 -0.680 4.387 735 HG1 THR 95 HG1 THR 95 20.245 -2.688 3.823 736 HG21 THR 95 3HG2 THR 95 22.641 -1.056 2.613 737 HG22 THR 95 1HG2 THR 95 22.111 -2.737 2.662 738 HG23 THR 95 2HG2 THR 95 23.592 -2.255 3.491 739 H ALA 96 H ALA 96 22.773 0.872 5.778 740 HA ALA 96 HA ALA 96 25.192 1.315 4.377 741 HB1 ALA 96 1HB ALA 96 23.426 2.988 4.460 742 HB2 ALA 96 2HB ALA 96 23.666 3.173 6.197 743 HB3 ALA 96 3HB ALA 96 24.942 3.648 5.076 744 H GLU 97 H GLU 97 24.382 1.481 7.839 745 HA GLU 97 HA GLU 97 26.968 2.176 8.718 746 HB2 GLU 97 2HB GLU 97 26.183 1.817 10.897 747 HB3 GLU 97 3HB GLU 97 24.751 2.299 10.000 748 HG2 GLU 97 2HG GLU 97 23.924 0.527 11.161 749 HG3 GLU 97 3HG GLU 97 24.459 -0.288 9.693 750 H LYS 98 H LYS 98 25.451 -0.895 8.006 751 HA LYS 98 HA LYS 98 27.215 -2.633 9.282 752 HB2 LYS 98 2HB LYS 98 25.212 -3.525 8.364 753 HB3 LYS 98 3HB LYS 98 25.593 -2.920 6.757 754 HG2 LYS 98 2HG LYS 98 25.915 -5.312 6.855 755 HG3 LYS 98 3HG LYS 98 27.464 -4.498 6.616 756 HD2 LYS 98 2HD LYS 98 27.783 -4.652 9.121 757 HD3 LYS 98 3HD LYS 98 26.384 -5.729 9.144 758 HE2 LYS 98 2HE LYS 98 28.864 -6.186 7.490 759 HE3 LYS 98 3HE LYS 98 28.577 -6.909 9.072 760 HZ1 LYS 98 3HZ LYS 98 26.814 -8.173 8.251 761 HZ2 LYS 98 1HZ LYS 98 27.991 -8.284 7.041 762 HZ3 LYS 98 2HZ LYS 98 26.667 -7.250 6.841 763 H PHE 99 H PHE 99 27.455 -1.021 6.156 764 HA PHE 99 HA PHE 99 29.731 -2.395 5.217 765 HB2 PHE 99 2HB PHE 99 28.346 0.150 4.525 766 HB3 PHE 99 3HB PHE 99 29.988 -0.073 3.932 767 HD1 PHE 99 HD1 PHE 99 30.415 -2.441 2.817 768 HD2 PHE 99 HD2 PHE 99 26.616 -0.561 3.202 769 HE1 PHE 99 HE1 PHE 99 29.558 -3.799 0.953 770 HE2 PHE 99 HE2 PHE 99 25.753 -1.917 1.339 771 HZ PHE 99 HZ PHE 99 27.224 -3.539 0.213 772 H LYS 100 H LYS 100 29.326 0.374 7.321 773 HA LYS 100 HA LYS 100 31.969 1.333 7.274 774 HB2 LYS 100 2HB LYS 100 30.149 2.652 8.200 775 HB3 LYS 100 3HB LYS 100 29.890 1.458 9.465 776 HG2 LYS 100 2HG LYS 100 31.067 3.272 10.434 777 HG3 LYS 100 3HG LYS 100 32.210 1.937 10.272 778 HD2 LYS 100 2HD LYS 100 33.433 3.756 9.507 779 HD3 LYS 100 3HD LYS 100 32.816 3.048 8.012 780 HE2 LYS 100 2HE LYS 100 31.397 4.782 7.618 781 HE3 LYS 100 3HE LYS 100 31.139 5.104 9.332 782 HZ1 LYS 100 3HZ LYS 100 33.526 5.933 9.315 783 HZ2 LYS 100 1HZ LYS 100 32.369 6.910 8.560 784 HZ3 LYS 100 2HZ LYS 100 33.402 5.948 7.628 785 H ASN 101 H ASN 101 30.478 -1.333 8.947 786 HA ASN 101 HA ASN 101 32.414 -1.738 10.948 787 HB2 ASN 101 2HB ASN 101 30.573 -3.706 9.573 788 HB3 ASN 101 3HB ASN 101 31.529 -4.077 11.006 789 HD21 ASN 101 1HD2 ASN 101 29.939 -4.382 12.454 790 HD22 ASN 101 2HD2 ASN 101 28.800 -3.170 12.925 791 H LYS 102 H LYS 102 32.561 -2.158 7.581 792 HA LYS 102 HA LYS 102 34.828 -4.015 7.785 793 HB2 LYS 102 2HB LYS 102 32.877 -4.477 6.212 794 HB3 LYS 102 3HB LYS 102 33.456 -3.121 5.252 795 HG2 LYS 102 2HG LYS 102 34.248 -5.219 4.339 796 HG3 LYS 102 3HG LYS 102 35.600 -4.257 4.941 797 HD2 LYS 102 2HD LYS 102 35.733 -5.596 6.935 798 HD3 LYS 102 3HD LYS 102 34.267 -6.475 6.493 799 HE2 LYS 102 2HE LYS 102 35.916 -7.949 5.837 800 HE3 LYS 102 3HE LYS 102 35.602 -7.072 4.340 801 HZ1 LYS 102 3HZ LYS 102 37.998 -7.371 4.914 802 HZ2 LYS 102 1HZ LYS 102 37.764 -6.335 6.231 803 HZ3 LYS 102 2HZ LYS 102 37.534 -5.765 4.655 804 H GLY 103 H GLY 103 34.183 -0.754 7.589 805 HA2 GLY 103 2HA GLY 103 35.976 0.830 7.659 806 HA3 GLY 103 3HA GLY 103 36.915 -0.240 6.629 807 H PHE 104 H PHE 104 33.773 1.447 6.502 808 HA PHE 104 HA PHE 104 34.577 2.770 4.049 809 HB2 PHE 104 2HB PHE 104 32.198 0.903 4.129 810 HB3 PHE 104 3HB PHE 104 32.580 1.997 2.804 811 HD1 PHE 104 HD2 PHE 104 33.508 -1.092 4.519 812 HD2 PHE 104 HD1 PHE 104 34.410 1.539 1.297 813 HE1 PHE 104 HE2 PHE 104 34.926 -2.827 3.503 814 HE2 PHE 104 HE1 PHE 104 35.829 -0.192 0.276 815 HZ PHE 104 HZ PHE 104 36.088 -2.379 1.378 816 H LYS 105 H LYS 105 33.765 4.768 3.960 817 HA LYS 105 HA LYS 105 32.185 5.781 6.087 818 HB2 LYS 105 2HB LYS 105 33.804 7.201 4.983 819 HB3 LYS 105 3HB LYS 105 32.983 7.004 3.440 820 HG2 LYS 105 2HG LYS 105 32.454 9.160 4.338 821 HG3 LYS 105 3HG LYS 105 31.007 8.150 4.392 822 HD2 LYS 105 2HD LYS 105 30.994 9.143 6.483 823 HD3 LYS 105 3HD LYS 105 31.793 7.603 6.807 824 HE2 LYS 105 2HE LYS 105 33.153 9.135 7.898 825 HE3 LYS 105 3HE LYS 105 33.977 8.904 6.357 826 HZ1 LYS 105 3HZ LYS 105 32.219 11.175 7.107 827 HZ2 LYS 105 1HZ LYS 105 32.845 10.929 5.554 828 HZ3 LYS 105 2HZ LYS 105 33.891 11.225 6.850 829 H VAL 106 H VAL 106 30.049 6.275 6.212 830 HA VAL 106 HA VAL 106 28.377 5.659 3.865 831 HB VAL 106 HB VAL 106 27.211 4.117 4.962 832 HG11 VAL 106 1HG1 VAL 106 28.144 3.152 7.012 833 HG12 VAL 106 2HG1 VAL 106 29.402 3.494 5.823 834 HG13 VAL 106 3HG1 VAL 106 29.178 4.568 7.204 835 HG21 VAL 106 3HG2 VAL 106 25.860 5.837 5.980 836 HG22 VAL 106 1HG2 VAL 106 26.152 4.556 7.157 837 HG23 VAL 106 2HG2 VAL 106 27.054 6.068 7.257 838 H GLU 107 H GLU 107 26.688 7.017 3.457 839 HA GLU 107 HA GLU 107 26.236 9.218 5.358 840 HB2 GLU 107 2HB GLU 107 27.599 10.118 3.587 841 HB3 GLU 107 3HB GLU 107 26.557 9.409 2.361 842 HG2 GLU 107 2HG GLU 107 26.145 11.776 2.534 843 HG3 GLU 107 3HG GLU 107 24.730 10.875 3.076 844 H THR 108 H THR 108 24.144 10.065 5.433 845 HA THR 108 HA THR 108 22.101 8.444 4.057 846 HB THR 108 HB THR 108 20.615 9.001 6.029 847 HG1 THR 108 HG1 THR 108 22.065 10.702 6.813 848 HG21 THR 108 3HG2 THR 108 21.593 6.789 5.773 849 HG22 THR 108 1HG2 THR 108 21.589 7.255 7.473 850 HG23 THR 108 2HG2 THR 108 23.083 7.336 6.540 851 H ASP 109 H ASP 109 20.588 9.494 2.912 852 HA ASP 109 HA ASP 109 20.225 12.374 3.338 853 HB2 ASP 109 2HB ASP 109 21.715 11.417 1.238 854 HB3 ASP 109 3HB ASP 109 20.115 11.571 0.517 855 H MET 110 H MET 110 18.177 13.155 2.899 856 HA MET 110 HA MET 110 16.170 11.169 2.071 857 HB2 MET 110 2HB MET 110 14.604 12.236 3.710 858 HB3 MET 110 3HB MET 110 15.941 11.363 4.446 859 HG2 MET 110 2HG MET 110 17.117 13.613 4.591 860 HG3 MET 110 3HG MET 110 15.550 14.325 4.216 861 HE1 MET 110 3HE MET 110 16.037 15.104 7.940 862 HE2 MET 110 1HE MET 110 16.498 15.551 6.297 863 HE3 MET 110 2HE MET 110 14.799 15.571 6.772 Start of MODEL 13 1 H1 MET 1 H MET 1 1.894 -0.518 1.171 2 HA MET 1 HA MET 1 1.593 -0.493 -1.744 3 HB2 MET 1 2HB MET 1 3.150 1.586 -1.669 4 HB3 MET 1 3HB MET 1 1.425 1.797 -1.400 5 HG2 MET 1 2HG MET 1 1.732 2.559 0.664 6 HG3 MET 1 3HG MET 1 2.881 1.282 1.056 7 HE1 MET 1 3HE MET 1 6.241 2.550 -0.013 8 HE2 MET 1 1HE MET 1 5.137 1.175 -0.056 9 HE3 MET 1 2HE MET 1 5.296 2.222 -1.467 10 H THR 2 H THR 2 3.654 -0.601 -2.891 11 HA THR 2 HA THR 2 5.645 -2.096 -1.326 12 HB THR 2 HB THR 2 5.532 -2.066 -4.330 13 HG1 THR 2 HG1 THR 2 3.498 -2.786 -3.004 14 HG21 THR 2 3HG2 THR 2 7.080 -3.399 -2.309 15 HG22 THR 2 1HG2 THR 2 7.281 -3.422 -4.061 16 HG23 THR 2 2HG2 THR 2 6.207 -4.584 -3.281 17 H LEU 3 H LEU 3 7.667 -1.355 -1.097 18 HA LEU 3 HA LEU 3 8.439 1.025 -2.654 19 HB2 LEU 3 2HB LEU 3 8.208 0.732 0.108 20 HB3 LEU 3 3HB LEU 3 9.940 0.665 -0.211 21 HG LEU 3 HG LEU 3 10.042 2.853 -0.875 22 HD11 LEU 3 1HD1 LEU 3 7.285 2.382 -1.866 23 HD12 LEU 3 2HD1 LEU 3 8.669 3.121 -2.670 24 HD13 LEU 3 3HD1 LEU 3 7.752 4.037 -1.474 25 HD21 LEU 3 3HD2 LEU 3 8.066 2.420 1.260 26 HD22 LEU 3 1HD2 LEU 3 8.062 4.031 0.541 27 HD23 LEU 3 2HD2 LEU 3 9.542 3.387 1.252 28 H CYS 4 H CYS 4 10.275 0.942 -3.796 29 HA CYS 4 HA CYS 4 12.074 -1.347 -3.343 30 HB2 CYS 4 2HB CYS 4 11.557 -0.023 -6.008 31 HB3 CYS 4 3HB CYS 4 12.465 -1.499 -5.709 32 HG CYS 4 HG CYS 4 10.423 -2.873 -6.474 33 H ALA 5 H ALA 5 14.317 -1.007 -3.890 34 HA ALA 5 HA ALA 5 15.158 1.794 -4.074 35 HB1 ALA 5 1HB ALA 5 15.246 0.318 -1.685 36 HB2 ALA 5 2HB ALA 5 16.907 0.420 -2.269 37 HB3 ALA 5 3HB ALA 5 15.971 1.892 -2.012 38 H MET 6 H MET 6 17.065 2.126 -5.157 39 HA MET 6 HA MET 6 18.331 -0.279 -6.297 40 HB2 MET 6 2HB MET 6 17.088 1.164 -7.918 41 HB3 MET 6 3HB MET 6 18.199 2.473 -7.537 42 HG2 MET 6 2HG MET 6 20.068 1.015 -8.296 43 HG3 MET 6 3HG MET 6 18.866 -0.159 -8.825 44 HE1 MET 6 3HE MET 6 19.021 3.755 -8.928 45 HE2 MET 6 1HE MET 6 20.602 3.281 -9.550 46 HE3 MET 6 2HE MET 6 19.429 4.051 -10.619 47 H TYR 7 H TYR 7 20.358 -0.628 -5.699 48 HA TYR 7 HA TYR 7 21.972 1.669 -4.799 49 HB2 TYR 7 2HB TYR 7 23.018 0.296 -3.159 50 HB3 TYR 7 3HB TYR 7 21.287 0.011 -3.011 51 HD1 TYR 7 HD1 TYR 7 20.312 -2.093 -3.980 52 HD2 TYR 7 HD2 TYR 7 24.509 -1.469 -3.665 53 HE1 TYR 7 HE1 TYR 7 20.685 -4.510 -4.236 54 HE2 TYR 7 HE2 TYR 7 24.894 -3.884 -3.922 55 HH TYR 7 HH TYR 7 23.090 -5.910 -5.172 56 H ASN 8 H ASN 8 24.081 1.815 -5.482 57 HA ASN 8 HA ASN 8 24.902 -0.130 -7.538 58 HB2 ASN 8 2HB ASN 8 24.535 1.884 -8.696 59 HB3 ASN 8 3HB ASN 8 25.229 2.858 -7.403 60 HD21 ASN 8 1HD2 ASN 8 27.487 2.921 -7.158 61 HD22 ASN 8 2HD2 ASN 8 28.542 2.505 -8.462 62 H ILE 9 H ILE 9 26.851 -1.075 -7.347 63 HA ILE 9 HA ILE 9 28.577 -0.176 -5.134 64 HB ILE 9 HB ILE 9 29.453 -2.632 -5.352 65 HG12 ILE 9 2HG1 ILE 9 26.668 -2.827 -6.516 66 HG13 ILE 9 3HG1 ILE 9 28.174 -3.243 -7.326 67 HG21 ILE 9 1HG2 ILE 9 26.752 -2.474 -4.110 68 HG22 ILE 9 2HG2 ILE 9 28.250 -3.151 -3.473 69 HG23 ILE 9 3HG2 ILE 9 28.024 -1.403 -3.522 70 HD11 ILE 9 3HD1 ILE 9 26.560 -4.781 -5.440 71 HD12 ILE 9 1HD1 ILE 9 27.679 -5.323 -6.691 72 HD13 ILE 9 2HD1 ILE 9 28.293 -4.817 -5.117 73 H SER 10 H SER 10 30.598 0.416 -5.595 74 HA SER 10 HA SER 10 31.601 -0.115 -8.312 75 HB2 SER 10 2HB SER 10 32.340 2.017 -8.436 76 HB3 SER 10 3HB SER 10 31.243 2.317 -7.089 77 HG SER 10 HG SER 10 33.568 2.956 -6.882 78 H MET 11 H MET 11 33.270 -1.445 -8.494 79 HA MET 11 HA MET 11 34.704 -2.289 -6.115 80 HB2 MET 11 2HB MET 11 35.767 -3.931 -7.679 81 HB3 MET 11 3HB MET 11 34.014 -4.044 -7.593 82 HG2 MET 11 2HG MET 11 34.229 -4.138 -9.833 83 HG3 MET 11 3HG MET 11 34.210 -2.384 -9.662 84 HE1 MET 11 3HE MET 11 35.308 -1.674 -11.694 85 HE2 MET 11 1HE MET 11 36.845 -2.247 -12.344 86 HE3 MET 11 2HE MET 11 35.425 -3.292 -12.388 87 H ALA 12 H ALA 12 35.038 0.164 -8.292 88 HA ALA 12 HA ALA 12 37.541 0.991 -7.399 89 HB1 ALA 12 1HB ALA 12 39.093 0.100 -8.735 90 HB2 ALA 12 2HB ALA 12 37.875 -1.115 -9.123 91 HB3 ALA 12 3HB ALA 12 38.089 0.285 -10.174 92 H GLY 13 H GLY 13 38.530 2.280 -9.702 93 HA2 GLY 13 2HA GLY 13 36.585 4.413 -9.909 94 HA3 GLY 13 3HA GLY 13 38.220 4.422 -10.553 95 H SER 14 H SER 14 36.390 1.659 -11.352 96 HA SER 14 HA SER 14 36.046 2.697 -14.081 97 HB2 SER 14 2HB SER 14 36.196 -0.169 -13.114 98 HB3 SER 14 3HB SER 14 36.039 0.340 -14.795 99 HG SER 14 HG SER 14 38.143 0.313 -14.735 100 H HIS 15 H HIS 15 34.153 1.959 -15.289 101 HA HIS 15 HA HIS 15 31.761 2.680 -14.369 102 HB2 HIS 15 2HB HIS 15 32.485 0.480 -16.272 103 HB3 HIS 15 3HB HIS 15 30.795 0.754 -15.860 104 HD1 HIS 15 HD1 HIS 15 30.909 1.251 -18.597 105 HD2 HIS 15 HD2 HIS 15 32.442 4.122 -16.014 106 HE1 HIS 15 HE1 HIS 15 30.987 3.382 -19.930 107 HA PRO 16 HA PRO 16 31.190 -0.113 -10.891 108 HB2 PRO 16 2HB PRO 16 29.088 1.253 -9.848 109 HB3 PRO 16 3HB PRO 16 30.768 1.754 -9.620 110 HG2 PRO 16 2HG PRO 16 28.733 2.777 -11.562 111 HG3 PRO 16 3HG PRO 16 29.895 3.685 -10.577 112 HD2 PRO 16 2HD PRO 16 30.309 3.156 -13.201 113 HD3 PRO 16 3HD PRO 16 31.638 3.274 -12.029 114 H THR 17 H THR 17 28.848 -0.799 -9.885 115 HA THR 17 HA THR 17 27.211 -1.711 -12.160 116 HB THR 17 HB THR 17 27.576 -3.388 -9.693 117 HG1 THR 17 HG1 THR 17 29.233 -3.276 -12.002 118 HG21 THR 17 3HG2 THR 17 25.736 -3.783 -11.402 119 HG22 THR 17 1HG2 THR 17 26.778 -5.159 -11.043 120 HG23 THR 17 2HG2 THR 17 27.016 -4.236 -12.527 121 H THR 18 H THR 18 25.090 -1.341 -11.995 122 HA THR 18 HA THR 18 24.068 -0.344 -9.424 123 HB THR 18 HB THR 18 22.595 -0.020 -12.016 124 HG1 THR 18 HG1 THR 18 23.927 1.517 -12.666 125 HG21 THR 18 3HG2 THR 18 21.650 0.567 -9.719 126 HG22 THR 18 1HG2 THR 18 21.583 1.825 -10.952 127 HG23 THR 18 2HG2 THR 18 22.821 1.884 -9.698 128 H ILE 19 H ILE 19 22.223 -1.181 -8.510 129 HA ILE 19 HA ILE 19 20.867 -3.383 -9.881 130 HB ILE 19 HB ILE 19 22.483 -3.613 -7.420 131 HG12 ILE 19 2HG1 ILE 19 21.608 -5.386 -9.686 132 HG13 ILE 19 3HG1 ILE 19 23.237 -4.879 -9.250 133 HG21 ILE 19 1HG2 ILE 19 19.791 -4.950 -7.661 134 HG22 ILE 19 2HG2 ILE 19 21.026 -5.359 -6.472 135 HG23 ILE 19 3HG2 ILE 19 20.272 -3.765 -6.447 136 HD11 ILE 19 3HD1 ILE 19 22.912 -7.212 -8.736 137 HD12 ILE 19 1HD1 ILE 19 23.116 -6.289 -7.247 138 HD13 ILE 19 2HD1 ILE 19 21.510 -6.825 -7.740 139 H CYS 20 H CYS 20 18.718 -3.481 -9.499 140 HA CYS 20 HA CYS 20 17.631 -1.665 -7.448 141 HB2 CYS 20 2HB CYS 20 15.622 -1.491 -8.997 142 HB3 CYS 20 3HB CYS 20 17.090 -0.689 -9.541 143 HG CYS 20 HG CYS 20 15.477 -2.134 -11.561 144 H VAL 21 H VAL 21 16.692 -2.739 -5.854 145 HA VAL 21 HA VAL 21 15.003 -5.046 -6.483 146 HB VAL 21 HB VAL 21 15.912 -6.267 -4.497 147 HG11 VAL 21 1HG1 VAL 21 17.740 -5.708 -6.824 148 HG12 VAL 21 2HG1 VAL 21 18.011 -7.003 -5.656 149 HG13 VAL 21 3HG1 VAL 21 16.563 -7.011 -6.664 150 HG21 VAL 21 3HG2 VAL 21 18.383 -4.611 -4.669 151 HG22 VAL 21 1HG2 VAL 21 17.031 -4.027 -3.698 152 HG23 VAL 21 2HG2 VAL 21 17.770 -5.587 -3.334 153 H VAL 22 H VAL 22 13.357 -5.453 -4.969 154 HA VAL 22 HA VAL 22 12.313 -3.164 -3.680 155 HB VAL 22 HB VAL 22 10.958 -5.083 -4.576 156 HG11 VAL 22 1HG1 VAL 22 11.378 -6.468 -1.967 157 HG12 VAL 22 2HG1 VAL 22 10.807 -7.115 -3.506 158 HG13 VAL 22 3HG1 VAL 22 12.516 -6.741 -3.286 159 HG21 VAL 22 3HG2 VAL 22 10.406 -4.354 -1.702 160 HG22 VAL 22 1HG2 VAL 22 10.033 -3.336 -3.093 161 HG23 VAL 22 2HG2 VAL 22 9.229 -4.893 -2.899 162 H MET 23 H MET 23 11.876 -2.853 -1.429 163 HA MET 23 HA MET 23 14.067 -3.108 0.244 164 HB2 MET 23 2HB MET 23 12.322 -1.492 0.687 165 HB3 MET 23 3HB MET 23 11.149 -2.775 0.955 166 HG2 MET 23 2HG MET 23 13.299 -3.239 2.718 167 HG3 MET 23 3HG MET 23 12.902 -1.524 2.815 168 HE1 MET 23 3HE MET 23 10.404 -4.650 2.145 169 HE2 MET 23 1HE MET 23 11.759 -5.141 3.163 170 HE3 MET 23 2HE MET 23 10.135 -5.045 3.843 171 H ASP 24 H ASP 24 11.289 -5.240 -0.144 172 HA ASP 24 HA ASP 24 11.709 -6.912 2.054 173 HB2 ASP 24 2HB ASP 24 10.684 -7.895 -0.604 174 HB3 ASP 24 3HB ASP 24 10.244 -8.449 1.009 175 H ARG 25 H ARG 25 13.141 -6.930 -1.163 176 HA ARG 25 HA ARG 25 14.728 -9.293 -0.475 177 HB2 ARG 25 2HB ARG 25 14.312 -7.825 -3.081 178 HB3 ARG 25 3HB ARG 25 15.442 -9.158 -2.887 179 HG2 ARG 25 2HG ARG 25 12.482 -9.341 -2.371 180 HG3 ARG 25 3HG ARG 25 13.277 -9.827 -3.870 181 HD2 ARG 25 2HD ARG 25 14.761 -11.261 -2.257 182 HD3 ARG 25 3HD ARG 25 13.391 -11.078 -1.163 183 HE ARG 25 HE ARG 25 12.448 -11.913 -3.670 184 HH11 ARG 25 1HH1 ARG 25 14.304 -13.103 -0.975 185 HH12 ARG 25 2HH1 ARG 25 13.851 -14.756 -1.226 186 HH21 ARG 25 1HH2 ARG 25 11.845 -14.087 -4.010 187 HH22 ARG 25 2HH2 ARG 25 12.453 -15.315 -2.953 188 H PHE 26 H PHE 26 14.938 -5.912 -0.538 189 HA PHE 26 HA PHE 26 17.635 -5.522 -1.225 190 HB2 PHE 26 2HB PHE 26 16.039 -3.672 -1.103 191 HB3 PHE 26 3HB PHE 26 15.876 -3.908 0.634 192 HD1 PHE 26 HD1 PHE 26 18.859 -3.770 -1.597 193 HD2 PHE 26 HD2 PHE 26 16.771 -2.085 1.706 194 HE1 PHE 26 HE1 PHE 26 20.726 -2.214 -1.216 195 HE2 PHE 26 HE2 PHE 26 18.635 -0.525 2.093 196 HZ PHE 26 HZ PHE 26 20.616 -0.589 0.631 197 H LEU 27 H LEU 27 16.072 -6.135 1.893 198 HA LEU 27 HA LEU 27 18.303 -5.832 3.540 199 HB2 LEU 27 2HB LEU 27 17.087 -7.381 5.088 200 HB3 LEU 27 3HB LEU 27 16.168 -5.981 4.540 201 HG LEU 27 HG LEU 27 15.444 -7.898 2.722 202 HD11 LEU 27 1HD1 LEU 27 15.526 -9.967 3.540 203 HD12 LEU 27 2HD1 LEU 27 14.977 -9.449 5.133 204 HD13 LEU 27 3HD1 LEU 27 16.687 -9.344 4.712 205 HD21 LEU 27 3HD2 LEU 27 14.158 -6.218 4.280 206 HD22 LEU 27 1HD2 LEU 27 13.913 -7.660 5.267 207 HD23 LEU 27 2HD2 LEU 27 13.343 -7.627 3.598 208 H GLU 28 H GLU 28 17.036 -8.765 1.974 209 HA GLU 28 HA GLU 28 19.104 -10.460 2.928 210 HB2 GLU 28 2HB GLU 28 16.729 -10.991 1.888 211 HB3 GLU 28 3HB GLU 28 17.650 -11.073 0.393 212 HG2 GLU 28 2HG GLU 28 17.396 -13.270 1.380 213 HG3 GLU 28 3HG GLU 28 19.090 -12.782 1.360 214 H SER 29 H SER 29 18.565 -8.808 -0.168 215 HA SER 29 HA SER 29 20.762 -9.789 -1.558 216 HB2 SER 29 2HB SER 29 19.295 -8.583 -2.893 217 HB3 SER 29 3HB SER 29 19.159 -7.263 -1.730 218 HG SER 29 HG SER 29 20.833 -7.513 -3.818 219 H PHE 30 H PHE 30 20.532 -7.076 0.689 220 HA PHE 30 HA PHE 30 23.167 -6.115 0.291 221 HB2 PHE 30 2HB PHE 30 22.229 -4.453 1.462 222 HB3 PHE 30 3HB PHE 30 20.913 -5.497 1.988 223 HD1 PHE 30 HD2 PHE 30 24.469 -4.699 2.736 224 HD2 PHE 30 HD1 PHE 30 20.717 -6.055 4.220 225 HE1 PHE 30 HE2 PHE 30 25.367 -4.668 5.026 226 HE2 PHE 30 HE1 PHE 30 21.610 -6.026 6.513 227 HZ PHE 30 HZ PHE 30 23.938 -5.333 6.918 228 H SER 31 H SER 31 21.740 -8.294 2.698 229 HA SER 31 HA SER 31 23.968 -8.683 4.308 230 HB2 SER 31 2HB SER 31 21.659 -9.510 4.796 231 HB3 SER 31 3HB SER 31 21.906 -10.784 3.602 232 HG SER 31 HG SER 31 22.799 -11.854 5.162 233 H GLU 32 H GLU 32 22.971 -10.476 1.407 234 HA GLU 32 HA GLU 32 25.252 -12.201 1.454 235 HB2 GLU 32 2HB GLU 32 22.955 -12.630 0.371 236 HB3 GLU 32 3HB GLU 32 23.551 -11.657 -0.967 237 HG2 GLU 32 2HG GLU 32 23.970 -13.861 -1.597 238 HG3 GLU 32 3HG GLU 32 25.527 -13.251 -1.043 239 H LEU 33 H LEU 33 24.364 -9.272 -0.312 240 HA LEU 33 HA LEU 33 26.465 -9.170 -2.125 241 HB2 LEU 33 2HB LEU 33 24.552 -7.667 -2.206 242 HB3 LEU 33 3HB LEU 33 25.081 -6.893 -0.714 243 HG LEU 33 HG LEU 33 25.512 -5.695 -2.947 244 HD11 LEU 33 1HD1 LEU 33 28.016 -5.993 -1.360 245 HD12 LEU 33 2HD1 LEU 33 26.569 -5.360 -0.577 246 HD13 LEU 33 3HD1 LEU 33 27.241 -4.536 -1.984 247 HD21 LEU 33 3HD2 LEU 33 26.415 -7.520 -4.216 248 HD22 LEU 33 1HD2 LEU 33 27.673 -7.796 -3.010 249 HD23 LEU 33 2HD2 LEU 33 27.687 -6.321 -3.978 250 H TYR 34 H TYR 34 26.341 -8.161 1.250 251 HA TYR 34 HA TYR 34 28.864 -6.881 1.305 252 HB2 TYR 34 2HB TYR 34 27.354 -6.365 3.061 253 HB3 TYR 34 3HB TYR 34 27.116 -8.063 3.459 254 HD1 TYR 34 HD2 TYR 34 29.498 -5.247 3.648 255 HD2 TYR 34 HD1 TYR 34 28.592 -9.198 4.943 256 HE1 TYR 34 HE2 TYR 34 31.266 -5.088 5.350 257 HE2 TYR 34 HE1 TYR 34 30.357 -9.049 6.650 258 HH TYR 34 HH TYR 34 31.776 -7.659 7.716 259 H ASP 35 H ASP 35 27.842 -10.204 1.699 260 HA ASP 35 HA ASP 35 30.325 -11.156 2.741 261 HB2 ASP 35 2HB ASP 35 27.734 -12.225 2.235 262 HB3 ASP 35 3HB ASP 35 28.909 -13.248 1.412 263 H ILE 36 H ILE 36 29.037 -10.597 -0.439 264 HA ILE 36 HA ILE 36 31.256 -12.027 -1.696 265 HB ILE 36 HB ILE 36 29.110 -12.442 -2.700 266 HG12 ILE 36 2HG1 ILE 36 31.331 -11.722 -4.084 267 HG13 ILE 36 3HG1 ILE 36 29.863 -12.336 -4.836 268 HG21 ILE 36 1HG2 ILE 36 28.913 -9.447 -2.917 269 HG22 ILE 36 2HG2 ILE 36 27.860 -10.558 -3.792 270 HG23 ILE 36 3HG2 ILE 36 27.852 -10.540 -2.028 271 HD11 ILE 36 3HD1 ILE 36 29.160 -10.184 -5.456 272 HD12 ILE 36 1HD1 ILE 36 30.338 -9.408 -4.398 273 HD13 ILE 36 2HD1 ILE 36 30.878 -10.258 -5.846 274 H ILE 37 H ILE 37 30.301 -8.865 -0.807 275 HA ILE 37 HA ILE 37 31.574 -7.308 -2.750 276 HB ILE 37 HB ILE 37 30.034 -6.539 -0.852 277 HG12 ILE 37 2HG1 ILE 37 31.243 -4.297 -0.726 278 HG13 ILE 37 3HG1 ILE 37 32.531 -5.049 -1.660 279 HG21 ILE 37 1HG2 ILE 37 30.770 -6.365 1.259 280 HG22 ILE 37 2HG2 ILE 37 31.998 -7.525 0.755 281 HG23 ILE 37 3HG2 ILE 37 32.364 -5.800 0.760 282 HD11 ILE 37 3HD1 ILE 37 31.269 -3.983 -3.269 283 HD12 ILE 37 1HD1 ILE 37 30.657 -5.636 -3.330 284 HD13 ILE 37 2HD1 ILE 37 29.741 -4.387 -2.485 285 H ASP 38 H ASP 38 32.888 -9.330 -0.334 286 HA ASP 38 HA ASP 38 35.332 -8.036 0.180 287 HB2 ASP 38 2HB ASP 38 36.018 -10.023 1.205 288 HB3 ASP 38 3HB ASP 38 34.264 -10.077 1.359 289 H GLU 39 H GLU 39 34.214 -9.921 -2.512 290 HA GLU 39 HA GLU 39 36.858 -10.356 -3.593 291 HB2 GLU 39 2HB GLU 39 34.113 -10.829 -4.766 292 HB3 GLU 39 3HB GLU 39 35.621 -11.281 -5.548 293 HG2 GLU 39 2HG GLU 39 34.582 -12.339 -2.930 294 HG3 GLU 39 3HG GLU 39 34.613 -13.194 -4.471 295 H ASN 40 H ASN 40 37.065 -9.773 -6.052 296 HA ASN 40 HA ASN 40 36.014 -7.105 -6.612 297 HB2 ASN 40 2HB ASN 40 38.269 -6.954 -5.415 298 HB3 ASN 40 3HB ASN 40 38.968 -7.659 -6.870 299 HD21 ASN 40 1HD2 ASN 40 37.488 -4.868 -5.460 300 HD22 ASN 40 2HD2 ASN 40 37.819 -3.779 -6.759 301 H ASP 41 H ASP 41 36.064 -10.043 -7.635 302 HA ASP 41 HA ASP 41 37.120 -9.739 -10.309 303 HB2 ASP 41 2HB ASP 41 36.028 -11.934 -8.672 304 HB3 ASP 41 3HB ASP 41 35.659 -12.040 -10.391 305 H THR 42 H THR 42 35.996 -9.374 -12.153 306 HA THR 42 HA THR 42 33.431 -8.150 -11.946 307 HB THR 42 HB THR 42 33.549 -7.795 -14.313 308 HG1 THR 42 HG1 THR 42 35.069 -8.882 -15.597 309 HG21 THR 42 3HG2 THR 42 36.438 -7.640 -13.561 310 HG22 THR 42 1HG2 THR 42 35.256 -6.676 -12.677 311 HG23 THR 42 2HG2 THR 42 35.439 -6.467 -14.419 312 H ASP 43 H ASP 43 34.574 -11.331 -12.840 313 HA ASP 43 HA ASP 43 32.205 -12.247 -14.088 314 HB2 ASP 43 2HB ASP 43 34.223 -13.948 -12.619 315 HB3 ASP 43 3HB ASP 43 33.152 -14.444 -13.926 316 H VAL 44 H VAL 44 33.426 -12.561 -10.766 317 HA VAL 44 HA VAL 44 31.165 -14.005 -9.816 318 HB VAL 44 HB VAL 44 33.313 -14.135 -8.664 319 HG11 VAL 44 1HG1 VAL 44 34.301 -12.331 -7.504 320 HG12 VAL 44 2HG1 VAL 44 33.885 -11.707 -9.101 321 HG13 VAL 44 3HG1 VAL 44 32.873 -11.317 -7.709 322 HG21 VAL 44 3HG2 VAL 44 31.982 -12.951 -6.432 323 HG22 VAL 44 1HG2 VAL 44 30.792 -13.750 -7.459 324 HG23 VAL 44 2HG2 VAL 44 32.168 -14.658 -6.834 325 H MET 45 H MET 45 32.060 -10.595 -9.877 326 HA MET 45 HA MET 45 29.904 -9.697 -8.255 327 HB2 MET 45 2HB MET 45 31.960 -8.436 -9.984 328 HB3 MET 45 3HB MET 45 30.511 -7.493 -9.664 329 HG2 MET 45 2HG MET 45 32.220 -8.725 -7.519 330 HG3 MET 45 3HG MET 45 32.404 -7.073 -8.104 331 HE1 MET 45 3HE MET 45 30.017 -5.003 -6.542 332 HE2 MET 45 1HE MET 45 30.979 -5.341 -7.981 333 HE3 MET 45 2HE MET 45 29.242 -5.647 -7.990 334 H MET 46 H MET 46 30.411 -9.839 -11.767 335 HA MET 46 HA MET 46 27.909 -8.704 -12.453 336 HB2 MET 46 2HB MET 46 28.422 -9.261 -14.682 337 HB3 MET 46 3HB MET 46 29.978 -8.943 -13.928 338 HG2 MET 46 2HG MET 46 30.521 -10.856 -14.986 339 HG3 MET 46 3HG MET 46 29.860 -11.567 -13.515 340 HE1 MET 46 3HE MET 46 27.825 -11.415 -17.635 341 HE2 MET 46 1HE MET 46 27.956 -9.939 -16.678 342 HE3 MET 46 2HE MET 46 29.414 -10.768 -17.223 343 H ASP 47 H ASP 47 28.992 -11.992 -11.860 344 HA ASP 47 HA ASP 47 26.635 -13.269 -12.816 345 HB2 ASP 47 2HB ASP 47 28.681 -14.536 -12.663 346 HB3 ASP 47 3HB ASP 47 28.806 -14.211 -10.936 347 H PHE 48 H PHE 48 27.737 -12.227 -9.618 348 HA PHE 48 HA PHE 48 25.465 -13.257 -8.236 349 HB2 PHE 48 2HB PHE 48 27.466 -12.952 -6.972 350 HB3 PHE 48 3HB PHE 48 27.602 -11.269 -7.470 351 HD1 PHE 48 HD2 PHE 48 26.199 -9.557 -6.469 352 HD2 PHE 48 HD1 PHE 48 25.966 -13.618 -5.217 353 HE1 PHE 48 HE2 PHE 48 24.977 -8.860 -4.450 354 HE2 PHE 48 HE1 PHE 48 24.743 -12.928 -3.196 355 HZ PHE 48 HZ PHE 48 24.248 -10.547 -2.810 356 H ILE 49 H ILE 49 26.391 -10.048 -9.418 357 HA ILE 49 HA ILE 49 24.195 -8.632 -8.397 358 HB ILE 49 HB ILE 49 26.235 -8.143 -10.476 359 HG12 ILE 49 2HG1 ILE 49 26.259 -5.919 -9.269 360 HG13 ILE 49 3HG1 ILE 49 25.030 -6.574 -8.192 361 HG21 ILE 49 1HG2 ILE 49 24.997 -6.050 -11.188 362 HG22 ILE 49 2HG2 ILE 49 24.399 -7.574 -11.839 363 HG23 ILE 49 3HG2 ILE 49 23.550 -6.792 -10.506 364 HD11 ILE 49 3HD1 ILE 49 26.885 -8.508 -8.018 365 HD12 ILE 49 1HD1 ILE 49 27.916 -7.111 -8.325 366 HD13 ILE 49 2HD1 ILE 49 26.816 -7.110 -6.945 367 H SER 50 H SER 50 24.696 -10.093 -11.604 368 HA SER 50 HA SER 50 22.178 -9.386 -12.650 369 HB2 SER 50 2HB SER 50 24.262 -10.221 -13.906 370 HB3 SER 50 3HB SER 50 23.714 -11.843 -13.484 371 HG SER 50 HG SER 50 21.922 -10.043 -14.680 372 H ARG 51 H ARG 51 23.294 -12.186 -10.833 373 HA ARG 51 HA ARG 51 20.885 -13.686 -11.147 374 HB2 ARG 51 2HB ARG 51 23.115 -14.684 -10.618 375 HB3 ARG 51 3HB ARG 51 23.003 -13.977 -9.012 376 HG2 ARG 51 2HG ARG 51 20.987 -15.297 -8.578 377 HG3 ARG 51 3HG ARG 51 21.124 -16.018 -10.183 378 HD2 ARG 51 2HD ARG 51 23.221 -16.203 -8.023 379 HD3 ARG 51 3HD ARG 51 22.028 -17.453 -8.375 380 HE ARG 51 HE ARG 51 24.420 -16.879 -9.852 381 HH11 ARG 51 1HH1 ARG 51 21.212 -18.219 -10.029 382 HH12 ARG 51 2HH1 ARG 51 21.570 -19.237 -11.384 383 HH21 ARG 51 1HH2 ARG 51 24.905 -18.215 -11.637 384 HH22 ARG 51 2HH2 ARG 51 23.671 -19.235 -12.297 385 H PHE 52 H PHE 52 22.021 -11.273 -8.907 386 HA PHE 52 HA PHE 52 19.762 -11.733 -7.113 387 HB2 PHE 52 2HB PHE 52 22.347 -10.280 -6.927 388 HB3 PHE 52 3HB PHE 52 20.999 -9.628 -6.000 389 HD1 PHE 52 HD1 PHE 52 22.008 -13.135 -6.752 390 HD2 PHE 52 HD2 PHE 52 21.353 -10.152 -3.787 391 HE1 PHE 52 HE1 PHE 52 22.423 -14.801 -4.989 392 HE2 PHE 52 HE2 PHE 52 21.767 -11.813 -2.020 393 HZ PHE 52 HZ PHE 52 22.304 -14.141 -2.620 394 H ALA 53 H ALA 53 20.440 -9.977 -9.860 395 HA ALA 53 HA ALA 53 18.721 -7.720 -9.145 396 HB1 ALA 53 1HB ALA 53 20.641 -8.256 -11.367 397 HB2 ALA 53 2HB ALA 53 19.380 -7.040 -11.574 398 HB3 ALA 53 3HB ALA 53 20.551 -6.881 -10.266 399 H ARG 54 H ARG 54 16.900 -7.144 -10.425 400 HA ARG 54 HA ARG 54 15.790 -9.333 -12.051 401 HB2 ARG 54 2HB ARG 54 14.760 -9.288 -9.788 402 HB3 ARG 54 3HB ARG 54 14.232 -7.639 -10.092 403 HG2 ARG 54 2HG ARG 54 12.343 -8.879 -10.562 404 HG3 ARG 54 3HG ARG 54 13.055 -8.640 -12.159 405 HD2 ARG 54 2HD ARG 54 12.547 -10.897 -12.175 406 HD3 ARG 54 3HD ARG 54 14.243 -10.895 -11.692 407 HE ARG 54 HE ARG 54 13.629 -11.716 -9.642 408 HH11 ARG 54 1HH1 ARG 54 10.806 -10.534 -11.303 409 HH12 ARG 54 2HH1 ARG 54 9.693 -11.178 -10.142 410 HH21 ARG 54 1HH2 ARG 54 12.173 -12.569 -8.107 411 HH22 ARG 54 2HH2 ARG 54 10.472 -12.334 -8.324 412 H THR 55 H THR 55 15.097 -8.727 -13.996 413 HA THR 55 HA THR 55 15.309 -5.990 -14.814 414 HB THR 55 HB THR 55 14.671 -6.766 -17.027 415 HG1 THR 55 HG1 THR 55 14.138 -9.032 -17.272 416 HG21 THR 55 3HG2 THR 55 16.849 -7.811 -15.507 417 HG22 THR 55 1HG2 THR 55 16.780 -7.452 -17.232 418 HG23 THR 55 2HG2 THR 55 16.306 -9.046 -16.642 419 H ASP 56 H ASP 56 13.621 -5.457 -13.047 420 HA ASP 56 HA ASP 56 11.023 -5.234 -14.394 421 HB2 ASP 56 2HB ASP 56 11.594 -6.484 -11.772 422 HB3 ASP 56 3HB ASP 56 10.211 -5.395 -11.819 423 H GLU 57 H GLU 57 9.720 -3.443 -13.658 424 HA GLU 57 HA GLU 57 11.360 -1.283 -12.510 425 HB2 GLU 57 2HB GLU 57 10.110 0.288 -13.804 426 HB3 GLU 57 3HB GLU 57 10.608 -1.003 -14.888 427 HG2 GLU 57 2HG GLU 57 8.219 -1.953 -14.184 428 HG3 GLU 57 3HG GLU 57 7.911 -0.231 -13.965 429 H ILE 58 H ILE 58 9.358 0.555 -12.018 430 HA ILE 58 HA ILE 58 7.956 -0.730 -9.777 431 HB ILE 58 HB ILE 58 7.678 1.707 -9.004 432 HG12 ILE 58 2HG1 ILE 58 8.577 2.417 -11.394 433 HG13 ILE 58 3HG1 ILE 58 8.918 3.388 -9.966 434 HG21 ILE 58 1HG2 ILE 58 9.080 0.379 -7.717 435 HG22 ILE 58 2HG2 ILE 58 10.239 0.160 -9.027 436 HG23 ILE 58 3HG2 ILE 58 10.131 1.712 -8.196 437 HD11 ILE 58 3HD1 ILE 58 11.122 2.756 -9.901 438 HD12 ILE 58 1HD1 ILE 58 10.831 1.255 -10.779 439 HD13 ILE 58 2HD1 ILE 58 10.815 2.796 -11.637 440 H MET 59 H MET 59 5.808 -0.869 -9.777 441 HA MET 59 HA MET 59 4.304 0.106 -12.019 442 HB2 MET 59 2HB MET 59 3.895 -1.758 -9.813 443 HB3 MET 59 3HB MET 59 2.465 -0.792 -10.151 444 HG2 MET 59 2HG MET 59 3.087 -1.496 -12.645 445 HG3 MET 59 3HG MET 59 3.790 -2.864 -11.785 446 HE1 MET 59 3HE MET 59 1.806 -4.835 -12.797 447 HE2 MET 59 1HE MET 59 2.808 -4.740 -11.348 448 HE3 MET 59 2HE MET 59 1.098 -5.150 -11.213 449 HA PRO 60 HA PRO 60 2.637 3.847 -10.450 450 HB2 PRO 60 2HB PRO 60 0.020 3.711 -11.161 451 HB3 PRO 60 3HB PRO 60 1.322 3.961 -12.331 452 HG2 PRO 60 2HG PRO 60 -0.133 1.441 -11.627 453 HG3 PRO 60 3HG PRO 60 0.337 2.054 -13.223 454 HD2 PRO 60 2HD PRO 60 1.739 0.132 -11.930 455 HD3 PRO 60 3HD PRO 60 2.509 1.314 -13.007 456 H GLU 61 H GLU 61 1.471 0.860 -9.262 457 HA GLU 61 HA GLU 61 -0.282 2.034 -7.273 458 HB2 GLU 61 2HB GLU 61 -0.894 -0.154 -6.696 459 HB3 GLU 61 3HB GLU 61 -0.630 -0.228 -8.433 460 HG2 GLU 61 2HG GLU 61 1.645 -1.113 -7.994 461 HG3 GLU 61 3HG GLU 61 1.249 -1.160 -6.277 462 H ASP 62 H ASP 62 3.015 1.191 -7.580 463 HA ASP 62 HA ASP 62 3.382 1.538 -4.676 464 HB2 ASP 62 2HB ASP 62 5.626 0.200 -5.876 465 HB3 ASP 62 3HB ASP 62 4.573 -0.351 -4.575 466 H LYS 63 H LYS 63 6.129 1.767 -4.634 467 HA LYS 63 HA LYS 63 6.959 3.795 -6.518 468 HB2 LYS 63 2HB LYS 63 7.546 5.166 -4.236 469 HB3 LYS 63 3HB LYS 63 6.165 5.496 -5.273 470 HG2 LYS 63 2HG LYS 63 4.674 4.469 -3.840 471 HG3 LYS 63 3HG LYS 63 5.929 3.501 -3.063 472 HD2 LYS 63 2HD LYS 63 5.511 5.084 -1.442 473 HD3 LYS 63 3HD LYS 63 6.851 5.832 -2.315 474 HE2 LYS 63 2HE LYS 63 5.270 7.546 -2.035 475 HE3 LYS 63 3HE LYS 63 5.077 7.013 -3.704 476 HZ1 LYS 63 3HZ LYS 63 3.407 5.782 -1.631 477 HZ2 LYS 63 1HZ LYS 63 3.067 6.055 -3.265 478 HZ3 LYS 63 2HZ LYS 63 3.016 7.338 -2.165 479 H THR 64 H THR 64 9.159 4.784 -5.532 480 HA THR 64 HA THR 64 10.741 2.450 -4.671 481 HB THR 64 HB THR 64 11.238 4.530 -6.716 482 HG1 THR 64 HG1 THR 64 11.202 1.887 -6.532 483 HG21 THR 64 3HG2 THR 64 13.731 4.185 -6.444 484 HG22 THR 64 1HG2 THR 64 13.382 3.556 -4.835 485 HG23 THR 64 2HG2 THR 64 12.965 5.221 -5.240 486 H VAL 65 H VAL 65 11.466 2.589 -2.661 487 HA VAL 65 HA VAL 65 11.260 4.749 -0.964 488 HB VAL 65 HB VAL 65 11.673 2.696 0.074 489 HG11 VAL 65 1HG1 VAL 65 13.939 2.451 -1.865 490 HG12 VAL 65 2HG1 VAL 65 13.927 1.500 -0.378 491 HG13 VAL 65 3HG1 VAL 65 12.615 1.331 -1.546 492 HG21 VAL 65 3HG2 VAL 65 14.439 3.655 0.447 493 HG22 VAL 65 1HG2 VAL 65 13.160 4.833 0.746 494 HG23 VAL 65 2HG2 VAL 65 13.185 3.312 1.639 495 H GLY 66 H GLY 66 13.939 3.875 -3.094 496 HA2 GLY 66 2HA GLY 66 14.888 6.296 -3.749 497 HA3 GLY 66 3HA GLY 66 15.566 6.083 -2.141 498 H PHE 67 H PHE 67 17.571 6.340 -3.503 499 HA PHE 67 HA PHE 67 18.459 3.678 -4.389 500 HB2 PHE 67 2HB PHE 67 19.688 6.075 -5.651 501 HB3 PHE 67 3HB PHE 67 19.398 4.474 -6.323 502 HD1 PHE 67 HD2 PHE 67 16.954 3.851 -6.829 503 HD2 PHE 67 HD1 PHE 67 18.300 7.841 -6.208 504 HE1 PHE 67 HE2 PHE 67 14.963 4.701 -7.999 505 HE2 PHE 67 HE1 PHE 67 16.312 8.697 -7.376 506 HZ PHE 67 HZ PHE 67 14.640 7.127 -8.273 507 H VAL 68 H VAL 68 20.589 3.121 -3.922 508 HA VAL 68 HA VAL 68 21.963 4.925 -2.035 509 HB VAL 68 HB VAL 68 21.912 1.904 -2.052 510 HG11 VAL 68 1HG1 VAL 68 23.756 3.834 -0.820 511 HG12 VAL 68 2HG1 VAL 68 23.135 2.589 0.266 512 HG13 VAL 68 3HG1 VAL 68 23.987 2.130 -1.209 513 HG21 VAL 68 3HG2 VAL 68 20.116 2.168 -0.763 514 HG22 VAL 68 1HG2 VAL 68 21.174 2.896 0.446 515 HG23 VAL 68 2HG2 VAL 68 20.331 3.918 -0.717 516 H VAL 69 H VAL 69 23.971 5.530 -2.533 517 HA VAL 69 HA VAL 69 25.279 4.222 -4.819 518 HB VAL 69 HB VAL 69 25.916 6.931 -3.647 519 HG11 VAL 69 1HG1 VAL 69 27.207 7.298 -5.610 520 HG12 VAL 69 2HG1 VAL 69 27.690 5.730 -4.961 521 HG13 VAL 69 3HG1 VAL 69 26.613 5.815 -6.355 522 HG21 VAL 69 3HG2 VAL 69 24.175 6.227 -6.008 523 HG22 VAL 69 1HG2 VAL 69 23.646 6.954 -4.491 524 HG23 VAL 69 2HG2 VAL 69 24.699 7.856 -5.582 525 H VAL 70 H VAL 70 26.908 2.903 -4.386 526 HA VAL 70 HA VAL 70 28.563 3.435 -2.004 527 HB VAL 70 HB VAL 70 28.084 0.671 -3.093 528 HG11 VAL 70 1HG1 VAL 70 29.946 1.581 -1.350 529 HG12 VAL 70 2HG1 VAL 70 28.645 1.133 -0.245 530 HG13 VAL 70 3HG1 VAL 70 29.311 -0.064 -1.356 531 HG21 VAL 70 3HG2 VAL 70 25.925 1.056 -2.475 532 HG22 VAL 70 1HG2 VAL 70 26.585 0.617 -0.900 533 HG23 VAL 70 2HG2 VAL 70 26.362 2.315 -1.320 534 H ASN 71 H ASN 71 30.555 3.986 -2.563 535 HA ASN 71 HA ASN 71 31.733 2.755 -4.969 536 HB2 ASN 71 2HB ASN 71 32.346 5.509 -3.876 537 HB3 ASN 71 3HB ASN 71 32.975 4.802 -5.361 538 HD21 ASN 71 1HD2 ASN 71 30.414 6.501 -3.893 539 HD22 ASN 71 2HD2 ASN 71 29.403 6.647 -5.287 540 H ALA 72 H ALA 72 33.152 1.273 -4.321 541 HA ALA 72 HA ALA 72 34.451 1.316 -1.794 542 HB1 ALA 72 1HB ALA 72 35.219 -0.327 -4.200 543 HB2 ALA 72 2HB ALA 72 35.565 -0.674 -2.506 544 HB3 ALA 72 3HB ALA 72 33.906 -0.743 -3.098 545 H ASP 73 H ASP 73 35.394 2.272 -5.046 546 HA ASP 73 HA ASP 73 38.143 2.591 -4.625 547 HB2 ASP 73 2HB ASP 73 36.470 2.904 -6.760 548 HB3 ASP 73 3HB ASP 73 36.886 4.577 -6.401 549 H LYS 74 H LYS 74 35.430 4.730 -3.965 550 HA LYS 74 HA LYS 74 37.230 6.829 -3.027 551 HB2 LYS 74 2HB LYS 74 34.247 6.711 -3.453 552 HB3 LYS 74 3HB LYS 74 35.031 8.067 -2.653 553 HG2 LYS 74 2HG LYS 74 35.660 7.125 -5.443 554 HG3 LYS 74 3HG LYS 74 34.583 8.466 -5.045 555 HD2 LYS 74 2HD LYS 74 36.540 9.489 -3.804 556 HD3 LYS 74 3HD LYS 74 37.548 8.256 -4.565 557 HE2 LYS 74 2HE LYS 74 37.087 9.086 -6.731 558 HE3 LYS 74 3HE LYS 74 35.770 10.100 -6.142 559 HZ1 LYS 74 3HZ LYS 74 38.678 10.499 -5.843 560 HZ2 LYS 74 1HZ LYS 74 37.590 11.245 -4.783 561 HZ3 LYS 74 2HZ LYS 74 37.516 11.573 -6.441 562 H LYS 75 H LYS 75 35.503 4.181 -1.817 563 HA LYS 75 HA LYS 75 35.165 3.373 0.282 564 HB2 LYS 75 2HB LYS 75 36.970 5.619 1.194 565 HB3 LYS 75 3HB LYS 75 36.594 4.146 2.077 566 HG2 LYS 75 2HG LYS 75 37.939 4.076 -0.601 567 HG3 LYS 75 3HG LYS 75 38.848 4.284 0.897 568 HD2 LYS 75 2HD LYS 75 37.572 2.184 1.693 569 HD3 LYS 75 3HD LYS 75 37.227 1.933 -0.020 570 HE2 LYS 75 2HE LYS 75 39.178 0.688 0.430 571 HE3 LYS 75 3HE LYS 75 39.722 2.140 -0.408 572 HZ1 LYS 75 3HZ LYS 75 39.641 2.258 2.502 573 HZ2 LYS 75 1HZ LYS 75 40.762 2.920 1.422 574 HZ3 LYS 75 2HZ LYS 75 40.839 1.278 1.819 575 H LEU 76 H LEU 76 33.284 5.185 -0.767 576 HA LEU 76 HA LEU 76 32.166 6.223 1.732 577 HB2 LEU 76 2HB LEU 76 31.299 8.158 0.154 578 HB3 LEU 76 3HB LEU 76 32.837 8.264 1.009 579 HG LEU 76 HG LEU 76 33.934 7.436 -1.110 580 HD11 LEU 76 1HD1 LEU 76 31.178 7.982 -2.194 581 HD12 LEU 76 2HD1 LEU 76 32.063 6.457 -2.232 582 HD13 LEU 76 3HD1 LEU 76 32.625 7.827 -3.190 583 HD21 LEU 76 3HD2 LEU 76 34.392 9.629 -0.973 584 HD22 LEU 76 1HD2 LEU 76 32.726 10.057 -0.584 585 HD23 LEU 76 2HD2 LEU 76 33.197 9.782 -2.262 586 H MET 77 H MET 77 29.886 6.361 1.767 587 HA MET 77 HA MET 77 28.436 5.318 -0.541 588 HB2 MET 77 2HB MET 77 28.792 3.276 0.564 589 HB3 MET 77 3HB MET 77 28.575 3.995 2.154 590 HG2 MET 77 2HG MET 77 26.211 4.238 1.771 591 HG3 MET 77 3HG MET 77 26.388 3.660 0.116 592 HE1 MET 77 3HE MET 77 28.545 1.482 2.898 593 HE2 MET 77 1HE MET 77 27.668 2.874 3.534 594 HE3 MET 77 2HE MET 77 27.119 1.240 3.908 595 H SER 78 H SER 78 26.584 6.379 -0.843 596 HA SER 78 HA SER 78 25.440 7.855 1.438 597 HB2 SER 78 2HB SER 78 25.888 9.724 0.268 598 HB3 SER 78 3HB SER 78 26.301 8.804 -1.178 599 HG SER 78 HG SER 78 24.486 9.536 -1.927 600 H VAL 79 H VAL 79 23.284 7.698 1.769 601 HA VAL 79 HA VAL 79 21.752 6.068 -0.152 602 HB VAL 79 HB VAL 79 21.368 6.232 2.841 603 HG11 VAL 79 1HG1 VAL 79 20.049 4.014 1.661 604 HG12 VAL 79 2HG1 VAL 79 19.341 5.391 2.508 605 HG13 VAL 79 3HG1 VAL 79 19.591 5.460 0.763 606 HG21 VAL 79 3HG2 VAL 79 21.910 3.612 2.158 607 HG22 VAL 79 1HG2 VAL 79 23.029 4.541 1.161 608 HG23 VAL 79 2HG2 VAL 79 23.031 4.744 2.913 609 H SER 80 H SER 80 20.206 7.149 -1.161 610 HA SER 80 HA SER 80 18.975 9.454 0.204 611 HB2 SER 80 2HB SER 80 18.536 10.374 -2.059 612 HB3 SER 80 3HB SER 80 20.258 10.162 -1.743 613 HG SER 80 HG SER 80 18.562 8.712 -3.444 614 H PHE 81 H PHE 81 16.953 9.111 0.809 615 HA PHE 81 HA PHE 81 15.177 7.575 -0.945 616 HB2 PHE 81 2HB PHE 81 14.180 6.564 1.194 617 HB3 PHE 81 3HB PHE 81 15.716 5.912 0.633 618 HD1 PHE 81 HD2 PHE 81 14.415 8.575 2.897 619 HD2 PHE 81 HD1 PHE 81 17.393 5.622 2.170 620 HE1 PHE 81 HE2 PHE 81 15.412 9.045 5.097 621 HE2 PHE 81 HE1 PHE 81 18.395 6.086 4.369 622 HZ PHE 81 HZ PHE 81 17.405 7.800 5.835 623 H SER 82 H SER 82 12.959 8.084 -0.745 624 HA SER 82 HA SER 82 12.501 10.771 0.304 625 HB2 SER 82 2HB SER 82 11.873 10.132 -2.064 626 HB3 SER 82 3HB SER 82 10.616 9.105 -1.373 627 HG SER 82 HG SER 82 10.724 11.846 -1.616 628 H ASP 83 H ASP 83 10.196 11.131 1.172 629 HA ASP 83 HA ASP 83 9.804 10.272 3.631 630 HB2 ASP 83 2HB ASP 83 7.494 10.331 1.681 631 HB3 ASP 83 3HB ASP 83 7.421 10.607 3.419 632 H ILE 84 H ILE 84 10.377 8.258 4.270 633 HA ILE 84 HA ILE 84 8.767 6.026 3.216 634 HB ILE 84 HB ILE 84 10.745 4.564 3.883 635 HG12 ILE 84 2HG1 ILE 84 12.427 7.010 3.497 636 HG13 ILE 84 3HG1 ILE 84 11.775 6.664 5.095 637 HG21 ILE 84 1HG2 ILE 84 10.125 5.920 1.522 638 HG22 ILE 84 2HG2 ILE 84 11.873 6.063 1.701 639 HG23 ILE 84 3HG2 ILE 84 11.115 4.471 1.694 640 HD11 ILE 84 3HD1 ILE 84 12.837 4.255 4.348 641 HD12 ILE 84 1HD1 ILE 84 13.971 5.415 3.658 642 HD13 ILE 84 2HD1 ILE 84 13.614 5.451 5.385 643 H ASP 85 H ASP 85 8.768 4.124 4.793 644 HA ASP 85 HA ASP 85 7.833 5.106 7.335 645 HB2 ASP 85 2HB ASP 85 8.104 2.230 6.448 646 HB3 ASP 85 3HB ASP 85 7.084 2.857 7.739 647 H GLU 86 H GLU 86 8.580 4.367 9.394 648 HA GLU 86 HA GLU 86 11.407 4.414 9.638 649 HB2 GLU 86 2HB GLU 86 10.959 4.007 12.059 650 HB3 GLU 86 3HB GLU 86 10.069 5.367 11.389 651 HG2 GLU 86 2HG GLU 86 8.043 4.191 11.398 652 HG3 GLU 86 3HG GLU 86 8.849 2.639 11.618 653 H ASN 87 H ASN 87 9.065 1.875 9.393 654 HA ASN 87 HA ASN 87 10.454 -0.237 10.584 655 HB2 ASN 87 2HB ASN 87 8.376 -0.076 8.425 656 HB3 ASN 87 3HB ASN 87 9.123 -1.623 8.813 657 HD21 ASN 87 1HD2 ASN 87 8.800 -2.523 10.867 658 HD22 ASN 87 2HD2 ASN 87 7.483 -2.031 11.870 659 H MET 88 H MET 88 10.438 0.840 7.192 660 HA MET 88 HA MET 88 12.445 -1.056 6.416 661 HB2 MET 88 2HB MET 88 12.427 0.185 4.263 662 HB3 MET 88 3HB MET 88 10.829 -0.341 4.774 663 HG2 MET 88 2HG MET 88 10.723 2.060 5.822 664 HG3 MET 88 3HG MET 88 11.967 2.400 4.621 665 HE1 MET 88 3HE MET 88 10.602 1.649 1.362 666 HE2 MET 88 1HE MET 88 11.628 0.778 2.502 667 HE3 MET 88 2HE MET 88 10.047 0.129 2.065 668 H LYS 89 H LYS 89 12.388 2.302 7.407 669 HA LYS 89 HA LYS 89 14.864 3.182 6.565 670 HB2 LYS 89 2HB LYS 89 13.111 4.541 7.738 671 HB3 LYS 89 3HB LYS 89 13.627 3.806 9.250 672 HG2 LYS 89 2HG LYS 89 15.547 5.013 9.346 673 HG3 LYS 89 3HG LYS 89 15.709 5.103 7.591 674 HD2 LYS 89 2HD LYS 89 15.207 7.297 8.327 675 HD3 LYS 89 3HD LYS 89 13.722 6.664 7.612 676 HE2 LYS 89 2HE LYS 89 12.722 6.339 9.705 677 HE3 LYS 89 3HE LYS 89 14.262 6.451 10.556 678 HZ1 LYS 89 3HZ LYS 89 13.788 8.576 10.897 679 HZ2 LYS 89 1HZ LYS 89 12.435 8.516 9.883 680 HZ3 LYS 89 2HZ LYS 89 13.962 8.849 9.236 681 H LYS 90 H LYS 90 14.057 1.188 9.357 682 HA LYS 90 HA LYS 90 16.539 1.218 10.641 683 HB2 LYS 90 2HB LYS 90 15.775 -0.613 11.893 684 HB3 LYS 90 3HB LYS 90 14.306 0.248 11.454 685 HG2 LYS 90 2HG LYS 90 13.635 -1.848 10.939 686 HG3 LYS 90 3HG LYS 90 14.401 -1.441 9.402 687 HD2 LYS 90 2HD LYS 90 15.382 -3.468 9.807 688 HD3 LYS 90 3HD LYS 90 16.541 -2.406 10.612 689 HE2 LYS 90 2HE LYS 90 15.519 -2.847 12.753 690 HE3 LYS 90 3HE LYS 90 14.241 -3.790 11.988 691 HZ1 LYS 90 3HZ LYS 90 15.767 -5.471 11.404 692 HZ2 LYS 90 1HZ LYS 90 16.092 -5.099 13.022 693 HZ3 LYS 90 2HZ LYS 90 17.107 -4.518 11.801 694 H VAL 91 H VAL 91 15.351 -0.721 7.955 695 HA VAL 91 HA VAL 91 17.590 -2.489 7.877 696 HB VAL 91 HB VAL 91 16.554 -3.531 6.150 697 HG11 VAL 91 1HG1 VAL 91 14.854 -2.993 7.975 698 HG12 VAL 91 2HG1 VAL 91 14.195 -1.807 6.847 699 HG13 VAL 91 3HG1 VAL 91 14.222 -3.517 6.414 700 HG21 VAL 91 3HG2 VAL 91 15.808 -0.798 5.131 701 HG22 VAL 91 1HG2 VAL 91 16.973 -1.933 4.450 702 HG23 VAL 91 2HG2 VAL 91 15.248 -2.293 4.381 703 H ILE 92 H ILE 92 16.766 0.549 6.307 704 HA ILE 92 HA ILE 92 18.879 0.538 4.419 705 HB ILE 92 HB ILE 92 17.662 3.040 5.558 706 HG12 ILE 92 2HG1 ILE 92 16.450 1.062 3.629 707 HG13 ILE 92 3HG1 ILE 92 15.753 1.688 5.119 708 HG21 ILE 92 1HG2 ILE 92 19.600 2.891 3.806 709 HG22 ILE 92 2HG2 ILE 92 18.283 2.549 2.684 710 HG23 ILE 92 3HG2 ILE 92 18.295 4.058 3.597 711 HD11 ILE 92 3HD1 ILE 92 16.116 3.102 2.500 712 HD12 ILE 92 1HD1 ILE 92 14.619 2.756 3.364 713 HD13 ILE 92 2HD1 ILE 92 15.747 3.953 4.000 714 H LYS 93 H LYS 93 18.532 2.065 7.610 715 HA LYS 93 HA LYS 93 21.094 3.254 7.643 716 HB2 LYS 93 2HB LYS 93 19.040 3.731 9.138 717 HB3 LYS 93 3HB LYS 93 19.623 2.394 10.120 718 HG2 LYS 93 2HG LYS 93 21.391 3.563 10.915 719 HG3 LYS 93 3HG LYS 93 21.583 4.497 9.430 720 HD2 LYS 93 2HD LYS 93 20.852 5.983 11.163 721 HD3 LYS 93 3HD LYS 93 19.515 5.753 10.033 722 HE2 LYS 93 2HE LYS 93 19.667 3.914 12.352 723 HE3 LYS 93 3HE LYS 93 19.217 5.586 12.680 724 HZ1 LYS 93 3HZ LYS 93 17.722 4.859 10.498 725 HZ2 LYS 93 1HZ LYS 93 17.172 5.013 12.090 726 HZ3 LYS 93 2HZ LYS 93 17.670 3.505 11.510 727 H ALA 94 H ALA 94 19.874 0.174 8.896 728 HA ALA 94 HA ALA 94 22.253 -0.650 10.159 729 HB1 ALA 94 1HB ALA 94 20.202 -1.734 10.716 730 HB2 ALA 94 2HB ALA 94 19.951 -2.241 9.045 731 HB3 ALA 94 3HB ALA 94 21.266 -2.940 9.990 732 H THR 95 H THR 95 21.078 -1.000 6.857 733 HA THR 95 HA THR 95 23.067 -2.815 5.980 734 HB THR 95 HB THR 95 21.348 -0.865 4.441 735 HG1 THR 95 HG1 THR 95 19.967 -2.481 4.396 736 HG21 THR 95 3HG2 THR 95 22.176 -2.879 2.711 737 HG22 THR 95 1HG2 THR 95 23.640 -2.412 3.575 738 HG23 THR 95 2HG2 THR 95 22.707 -1.197 2.700 739 H ALA 96 H ALA 96 22.809 0.722 5.814 740 HA ALA 96 HA ALA 96 25.243 1.122 4.424 741 HB1 ALA 96 1HB ALA 96 24.118 3.191 6.261 742 HB2 ALA 96 2HB ALA 96 24.862 3.383 4.672 743 HB3 ALA 96 3HB ALA 96 23.230 2.729 4.809 744 H GLU 97 H GLU 97 24.403 1.340 7.875 745 HA GLU 97 HA GLU 97 26.977 2.045 8.774 746 HB2 GLU 97 2HB GLU 97 26.155 1.775 10.928 747 HB3 GLU 97 3HB GLU 97 24.694 2.108 10.010 748 HG2 GLU 97 2HG GLU 97 24.004 0.338 11.266 749 HG3 GLU 97 3HG GLU 97 24.579 -0.499 9.826 750 H LYS 98 H LYS 98 25.485 -1.035 8.056 751 HA LYS 98 HA LYS 98 27.230 -2.764 9.366 752 HB2 LYS 98 2HB LYS 98 25.174 -3.542 8.321 753 HB3 LYS 98 3HB LYS 98 25.797 -3.131 6.728 754 HG2 LYS 98 2HG LYS 98 26.439 -5.256 6.603 755 HG3 LYS 98 3HG LYS 98 27.729 -4.810 7.723 756 HD2 LYS 98 2HD LYS 98 26.352 -5.467 9.611 757 HD3 LYS 98 3HD LYS 98 25.005 -5.833 8.529 758 HE2 LYS 98 2HE LYS 98 26.047 -7.899 9.077 759 HE3 LYS 98 3HE LYS 98 26.488 -7.521 7.413 760 HZ1 LYS 98 3HZ LYS 98 28.497 -8.123 8.296 761 HZ2 LYS 98 1HZ LYS 98 28.158 -7.492 9.829 762 HZ3 LYS 98 2HZ LYS 98 28.549 -6.452 8.554 763 H PHE 99 H PHE 99 27.526 -1.174 6.229 764 HA PHE 99 HA PHE 99 29.831 -2.530 5.349 765 HB2 PHE 99 2HB PHE 99 28.470 0.026 4.632 766 HB3 PHE 99 3HB PHE 99 30.115 -0.225 4.057 767 HD1 PHE 99 HD1 PHE 99 30.486 -2.671 3.021 768 HD2 PHE 99 HD2 PHE 99 26.775 -0.598 3.231 769 HE1 PHE 99 HE1 PHE 99 29.628 -4.026 1.154 770 HE2 PHE 99 HE2 PHE 99 25.910 -1.949 1.366 771 HZ PHE 99 HZ PHE 99 27.337 -3.666 0.325 772 H LYS 100 H LYS 100 29.367 0.201 7.478 773 HA LYS 100 HA LYS 100 31.966 1.242 7.483 774 HB2 LYS 100 2HB LYS 100 29.590 1.793 8.800 775 HB3 LYS 100 3HB LYS 100 30.676 1.316 10.098 776 HG2 LYS 100 2HG LYS 100 31.179 3.488 8.075 777 HG3 LYS 100 3HG LYS 100 30.721 3.717 9.764 778 HD2 LYS 100 2HD LYS 100 33.232 2.316 8.849 779 HD3 LYS 100 3HD LYS 100 33.154 4.012 9.333 780 HE2 LYS 100 2HE LYS 100 31.971 2.845 11.458 781 HE3 LYS 100 3HE LYS 100 33.075 1.561 10.971 782 HZ1 LYS 100 3HZ LYS 100 33.703 3.737 12.496 783 HZ2 LYS 100 1HZ LYS 100 34.339 4.122 10.976 784 HZ3 LYS 100 2HZ LYS 100 34.804 2.692 11.750 785 H ASN 101 H ASN 101 30.614 -1.576 9.013 786 HA ASN 101 HA ASN 101 32.571 -2.004 10.985 787 HB2 ASN 101 2HB ASN 101 30.891 -4.025 9.483 788 HB3 ASN 101 3HB ASN 101 31.793 -4.353 10.960 789 HD21 ASN 101 1HD2 ASN 101 29.408 -4.997 11.362 790 HD22 ASN 101 2HD2 ASN 101 28.453 -3.796 12.155 791 H LYS 102 H LYS 102 32.741 -2.208 7.600 792 HA LYS 102 HA LYS 102 35.082 -3.975 7.684 793 HB2 LYS 102 2HB LYS 102 32.948 -3.626 5.827 794 HB3 LYS 102 3HB LYS 102 34.446 -3.177 5.022 795 HG2 LYS 102 2HG LYS 102 35.383 -5.382 5.856 796 HG3 LYS 102 3HG LYS 102 33.721 -5.808 6.269 797 HD2 LYS 102 2HD LYS 102 33.539 -6.554 4.171 798 HD3 LYS 102 3HD LYS 102 33.519 -4.857 3.685 799 HE2 LYS 102 2HE LYS 102 35.656 -4.910 2.922 800 HE3 LYS 102 3HE LYS 102 36.174 -6.084 4.131 801 HZ1 LYS 102 3HZ LYS 102 35.878 -6.697 1.583 802 HZ2 LYS 102 1HZ LYS 102 34.302 -7.025 2.106 803 HZ3 LYS 102 2HZ LYS 102 35.613 -7.819 2.821 804 H GLY 103 H GLY 103 34.297 -0.723 7.697 805 HA2 GLY 103 2HA GLY 103 36.018 0.924 7.933 806 HA3 GLY 103 3HA GLY 103 37.035 -0.038 6.872 807 H PHE 104 H PHE 104 34.043 1.872 6.905 808 HA PHE 104 HA PHE 104 34.813 3.114 4.405 809 HB2 PHE 104 2HB PHE 104 32.342 1.396 4.649 810 HB3 PHE 104 3HB PHE 104 32.546 2.606 3.387 811 HD1 PHE 104 HD1 PHE 104 34.137 2.280 1.594 812 HD2 PHE 104 HD2 PHE 104 33.628 -0.646 4.643 813 HE1 PHE 104 HE1 PHE 104 35.345 0.638 0.216 814 HE2 PHE 104 HE2 PHE 104 34.836 -2.292 3.270 815 HZ PHE 104 HZ PHE 104 35.694 -1.651 1.052 816 H LYS 105 H LYS 105 33.031 4.736 3.735 817 HA LYS 105 HA LYS 105 32.171 6.121 6.178 818 HB2 LYS 105 2HB LYS 105 33.629 7.486 4.880 819 HB3 LYS 105 3HB LYS 105 32.773 7.105 3.392 820 HG2 LYS 105 2HG LYS 105 32.260 9.354 4.119 821 HG3 LYS 105 3HG LYS 105 30.820 8.337 4.204 822 HD2 LYS 105 2HD LYS 105 30.864 9.636 6.193 823 HD3 LYS 105 3HD LYS 105 31.339 7.997 6.645 824 HE2 LYS 105 2HE LYS 105 32.782 9.590 7.744 825 HE3 LYS 105 3HE LYS 105 33.705 8.690 6.542 826 HZ1 LYS 105 3HZ LYS 105 34.064 10.523 5.325 827 HZ2 LYS 105 1HZ LYS 105 33.722 11.352 6.760 828 HZ3 LYS 105 2HZ LYS 105 32.516 11.153 5.590 829 H VAL 106 H VAL 106 30.074 6.512 6.585 830 HA VAL 106 HA VAL 106 28.122 5.742 4.514 831 HB VAL 106 HB VAL 106 27.774 5.607 7.513 832 HG11 VAL 106 1HG1 VAL 106 25.648 5.997 6.610 833 HG12 VAL 106 2HG1 VAL 106 25.959 4.973 5.206 834 HG13 VAL 106 3HG1 VAL 106 25.731 4.246 6.797 835 HG21 VAL 106 3HG2 VAL 106 27.870 3.203 7.266 836 HG22 VAL 106 1HG2 VAL 106 28.082 3.361 5.523 837 HG23 VAL 106 2HG2 VAL 106 29.345 3.921 6.619 838 H GLU 107 H GLU 107 26.756 7.260 3.833 839 HA GLU 107 HA GLU 107 26.299 9.615 5.537 840 HB2 GLU 107 2HB GLU 107 27.852 10.316 3.841 841 HB3 GLU 107 3HB GLU 107 26.887 9.569 2.576 842 HG2 GLU 107 2HG GLU 107 25.242 11.211 2.690 843 HG3 GLU 107 3HG GLU 107 25.770 11.761 4.279 844 H THR 108 H THR 108 24.246 10.433 5.561 845 HA THR 108 HA THR 108 22.238 8.969 3.973 846 HB THR 108 HB THR 108 20.643 9.315 5.811 847 HG1 THR 108 HG1 THR 108 22.833 10.182 7.397 848 HG21 THR 108 3HG2 THR 108 23.018 8.084 7.131 849 HG22 THR 108 1HG2 THR 108 22.394 7.354 5.653 850 HG23 THR 108 2HG2 THR 108 21.349 7.519 7.064 851 H ASP 109 H ASP 109 20.846 10.134 2.787 852 HA ASP 109 HA ASP 109 20.412 12.952 3.381 853 HB2 ASP 109 2HB ASP 109 22.384 12.442 1.649 854 HB3 ASP 109 3HB ASP 109 21.025 12.345 0.533 855 H MET 110 H MET 110 18.882 13.832 1.485 856 HA MET 110 HA MET 110 16.834 11.773 0.992 857 HB2 MET 110 2HB MET 110 16.248 14.648 1.703 858 HB3 MET 110 3HB MET 110 15.088 13.339 1.522 859 HG2 MET 110 2HG MET 110 15.975 12.238 3.483 860 HG3 MET 110 3HG MET 110 17.217 13.478 3.643 861 HE1 MET 110 3HE MET 110 16.721 15.958 4.702 862 HE2 MET 110 1HE MET 110 16.012 16.081 3.092 863 HE3 MET 110 2HE MET 110 15.110 16.648 4.498 Start of MODEL 14 1 H1 MET 1 H MET 1 1.316 0.081 1.566 2 HA MET 1 HA MET 1 1.785 -0.386 -1.135 3 HB2 MET 1 2HB MET 1 2.039 1.781 0.652 4 HB3 MET 1 3HB MET 1 3.597 1.618 -0.147 5 HG2 MET 1 2HG MET 1 1.839 1.378 -2.230 6 HG3 MET 1 3HG MET 1 1.044 2.555 -1.186 7 HE1 MET 1 3HE MET 1 5.376 2.948 -1.544 8 HE2 MET 1 1HE MET 1 4.478 1.464 -1.869 9 HE3 MET 1 2HE MET 1 4.981 2.501 -3.204 10 H THR 2 H THR 2 3.714 -0.636 -2.342 11 HA THR 2 HA THR 2 5.808 -2.091 -0.877 12 HB THR 2 HB THR 2 5.687 -2.190 -3.849 13 HG1 THR 2 HG1 THR 2 3.933 -3.732 -2.217 14 HG21 THR 2 3HG2 THR 2 7.272 -3.409 -2.107 15 HG22 THR 2 1HG2 THR 2 6.752 -4.199 -3.595 16 HG23 THR 2 2HG2 THR 2 5.939 -4.563 -2.073 17 H LEU 3 H LEU 3 7.799 -1.277 -0.740 18 HA LEU 3 HA LEU 3 8.515 0.953 -2.529 19 HB2 LEU 3 2HB LEU 3 8.370 0.873 0.301 20 HB3 LEU 3 3HB LEU 3 10.070 1.006 -0.143 21 HG LEU 3 HG LEU 3 9.854 3.137 -0.853 22 HD11 LEU 3 1HD1 LEU 3 7.194 2.260 -1.898 23 HD12 LEU 3 2HD1 LEU 3 8.582 2.912 -2.770 24 HD13 LEU 3 3HD1 LEU 3 7.586 3.976 -1.777 25 HD21 LEU 3 3HD2 LEU 3 7.304 3.668 0.397 26 HD22 LEU 3 1HD2 LEU 3 8.924 4.173 0.880 27 HD23 LEU 3 2HD2 LEU 3 8.300 2.604 1.392 28 H CYS 4 H CYS 4 10.340 0.753 -3.669 29 HA CYS 4 HA CYS 4 12.185 -1.429 -2.945 30 HB2 CYS 4 2HB CYS 4 12.419 -2.056 -5.165 31 HB3 CYS 4 3HB CYS 4 10.718 -1.611 -5.102 32 HG CYS 4 HG CYS 4 13.207 -0.261 -6.860 33 H ALA 5 H ALA 5 14.422 -1.119 -3.610 34 HA ALA 5 HA ALA 5 15.205 1.667 -4.067 35 HB1 ALA 5 1HB ALA 5 17.014 0.483 -2.182 36 HB2 ALA 5 2HB ALA 5 16.076 1.971 -2.048 37 HB3 ALA 5 3HB ALA 5 15.366 0.434 -1.553 38 H MET 6 H MET 6 17.124 1.935 -5.172 39 HA MET 6 HA MET 6 18.355 -0.544 -6.181 40 HB2 MET 6 2HB MET 6 18.943 0.728 -8.202 41 HB3 MET 6 3HB MET 6 17.206 0.699 -7.933 42 HG2 MET 6 2HG MET 6 17.497 2.965 -6.823 43 HG3 MET 6 3HG MET 6 19.116 2.971 -7.520 44 HE1 MET 6 3HE MET 6 19.607 2.414 -9.755 45 HE2 MET 6 1HE MET 6 18.499 2.313 -11.123 46 HE3 MET 6 2HE MET 6 19.184 3.870 -10.658 47 H TYR 7 H TYR 7 20.398 -0.898 -5.631 48 HA TYR 7 HA TYR 7 22.050 1.404 -4.816 49 HB2 TYR 7 2HB TYR 7 23.021 0.151 -3.084 50 HB3 TYR 7 3HB TYR 7 21.311 -0.256 -2.995 51 HD1 TYR 7 HD1 TYR 7 20.526 -2.450 -3.911 52 HD2 TYR 7 HD2 TYR 7 24.657 -1.510 -3.515 53 HE1 TYR 7 HE1 TYR 7 21.081 -4.840 -4.089 54 HE2 TYR 7 HE2 TYR 7 25.223 -3.897 -3.693 55 HH TYR 7 HH TYR 7 22.884 -6.362 -3.472 56 H ASN 8 H ASN 8 24.167 1.475 -5.500 57 HA ASN 8 HA ASN 8 24.961 -0.589 -7.449 58 HB2 ASN 8 2HB ASN 8 25.926 1.060 -8.849 59 HB3 ASN 8 3HB ASN 8 24.352 1.704 -8.389 60 HD21 ASN 8 1HD2 ASN 8 27.798 1.907 -7.841 61 HD22 ASN 8 2HD2 ASN 8 27.790 3.492 -7.154 62 H ILE 9 H ILE 9 27.003 -1.392 -7.330 63 HA ILE 9 HA ILE 9 28.691 -0.374 -5.139 64 HB ILE 9 HB ILE 9 29.694 -2.779 -5.313 65 HG12 ILE 9 2HG1 ILE 9 28.057 -3.136 -7.351 66 HG13 ILE 9 3HG1 ILE 9 28.402 -4.453 -6.236 67 HG21 ILE 9 1HG2 ILE 9 28.770 -2.233 -3.275 68 HG22 ILE 9 2HG2 ILE 9 27.183 -1.898 -3.965 69 HG23 ILE 9 3HG2 ILE 9 27.732 -3.564 -3.785 70 HD11 ILE 9 3HD1 ILE 9 25.952 -3.889 -6.963 71 HD12 ILE 9 1HD1 ILE 9 26.317 -4.401 -5.316 72 HD13 ILE 9 2HD1 ILE 9 26.079 -2.690 -5.676 73 H SER 10 H SER 10 30.703 0.268 -5.602 74 HA SER 10 HA SER 10 31.699 -0.223 -8.330 75 HB2 SER 10 2HB SER 10 32.876 1.970 -6.714 76 HB3 SER 10 3HB SER 10 32.493 1.916 -8.435 77 HG SER 10 HG SER 10 30.960 3.221 -7.687 78 H MET 11 H MET 11 33.433 -1.467 -8.529 79 HA MET 11 HA MET 11 34.907 -2.266 -6.161 80 HB2 MET 11 2HB MET 11 35.935 -3.936 -7.583 81 HB3 MET 11 3HB MET 11 34.194 -3.943 -7.834 82 HG2 MET 11 2HG MET 11 35.688 -2.200 -9.655 83 HG3 MET 11 3HG MET 11 36.048 -3.918 -9.807 84 HE1 MET 11 3HE MET 11 33.646 -1.897 -12.240 85 HE2 MET 11 1HE MET 11 35.311 -2.402 -11.953 86 HE3 MET 11 2HE MET 11 34.190 -3.488 -12.773 87 H ALA 12 H ALA 12 35.126 0.226 -8.310 88 HA ALA 12 HA ALA 12 37.586 1.162 -7.399 89 HB1 ALA 12 1HB ALA 12 38.204 0.557 -10.170 90 HB2 ALA 12 2HB ALA 12 39.175 0.321 -8.715 91 HB3 ALA 12 3HB ALA 12 37.992 -0.897 -9.193 92 H GLY 13 H GLY 13 38.527 2.574 -9.612 93 HA2 GLY 13 2HA GLY 13 36.437 4.566 -9.847 94 HA3 GLY 13 3HA GLY 13 38.096 4.718 -10.407 95 H SER 14 H SER 14 35.673 2.245 -11.178 96 HA SER 14 HA SER 14 35.651 3.209 -13.954 97 HB2 SER 14 2HB SER 14 37.202 1.174 -13.487 98 HB3 SER 14 3HB SER 14 35.698 0.263 -13.359 99 HG SER 14 HG SER 14 36.394 1.877 -15.585 100 H HIS 15 H HIS 15 33.819 2.404 -15.215 101 HA HIS 15 HA HIS 15 31.379 2.937 -14.297 102 HB2 HIS 15 2HB HIS 15 32.146 2.019 -16.623 103 HB3 HIS 15 3HB HIS 15 31.624 0.465 -15.978 104 HD1 HIS 15 HD1 HIS 15 29.124 0.036 -15.823 105 HD2 HIS 15 HD2 HIS 15 30.054 3.904 -17.021 106 HE1 HIS 15 HE1 HIS 15 26.951 1.043 -16.589 107 HA PRO 16 HA PRO 16 31.045 -0.067 -10.940 108 HB2 PRO 16 2HB PRO 16 29.000 1.222 -9.704 109 HB3 PRO 16 3HB PRO 16 30.690 1.708 -9.524 110 HG2 PRO 16 2HG PRO 16 28.565 2.860 -11.290 111 HG3 PRO 16 3HG PRO 16 29.776 3.700 -10.304 112 HD2 PRO 16 2HD PRO 16 30.059 3.352 -12.974 113 HD3 PRO 16 3HD PRO 16 31.444 3.391 -11.864 114 H THR 17 H THR 17 28.919 -1.034 -9.929 115 HA THR 17 HA THR 17 27.145 -1.757 -12.170 116 HB THR 17 HB THR 17 27.924 -3.444 -9.782 117 HG1 THR 17 HG1 THR 17 28.728 -3.381 -12.492 118 HG21 THR 17 3HG2 THR 17 26.669 -5.231 -10.869 119 HG22 THR 17 1HG2 THR 17 26.203 -4.134 -12.168 120 HG23 THR 17 2HG2 THR 17 25.616 -3.858 -10.528 121 H THR 18 H THR 18 25.056 -1.293 -11.965 122 HA THR 18 HA THR 18 24.068 -0.457 -9.325 123 HB THR 18 HB THR 18 22.630 0.067 -11.913 124 HG1 THR 18 HG1 THR 18 24.952 1.280 -10.919 125 HG21 THR 18 3HG2 THR 18 21.889 0.499 -9.348 126 HG22 THR 18 1HG2 THR 18 21.343 1.482 -10.705 127 HG23 THR 18 2HG2 THR 18 22.693 2.026 -9.710 128 H ILE 19 H ILE 19 22.199 -1.302 -8.461 129 HA ILE 19 HA ILE 19 20.812 -3.405 -9.955 130 HB ILE 19 HB ILE 19 22.503 -3.827 -7.619 131 HG12 ILE 19 2HG1 ILE 19 21.134 -5.577 -9.663 132 HG13 ILE 19 3HG1 ILE 19 22.835 -5.132 -9.591 133 HG21 ILE 19 1HG2 ILE 19 20.426 -3.730 -6.394 134 HG22 ILE 19 2HG2 ILE 19 19.663 -4.834 -7.537 135 HG23 ILE 19 3HG2 ILE 19 20.967 -5.405 -6.497 136 HD11 ILE 19 3HD1 ILE 19 23.016 -6.423 -7.478 137 HD12 ILE 19 1HD1 ILE 19 21.357 -6.967 -7.725 138 HD13 ILE 19 2HD1 ILE 19 22.609 -7.398 -8.890 139 H CYS 20 H CYS 20 18.662 -3.649 -9.451 140 HA CYS 20 HA CYS 20 17.583 -1.781 -7.444 141 HB2 CYS 20 2HB CYS 20 15.535 -1.692 -8.925 142 HB3 CYS 20 3HB CYS 20 16.974 -0.920 -9.580 143 HG CYS 20 HG CYS 20 15.303 -2.452 -11.462 144 H VAL 21 H VAL 21 16.701 -2.806 -5.786 145 HA VAL 21 HA VAL 21 15.075 -5.190 -6.273 146 HB VAL 21 HB VAL 21 16.062 -6.328 -4.302 147 HG11 VAL 21 1HG1 VAL 21 18.425 -5.965 -6.004 148 HG12 VAL 21 2HG1 VAL 21 17.513 -7.426 -5.621 149 HG13 VAL 21 3HG1 VAL 21 16.935 -6.327 -6.874 150 HG21 VAL 21 3HG2 VAL 21 17.022 -4.087 -3.435 151 HG22 VAL 21 1HG2 VAL 21 17.952 -5.565 -3.190 152 HG23 VAL 21 2HG2 VAL 21 18.390 -4.452 -4.486 153 H VAL 22 H VAL 22 13.436 -5.536 -4.766 154 HA VAL 22 HA VAL 22 12.402 -3.225 -3.506 155 HB VAL 22 HB VAL 22 10.664 -4.692 -2.600 156 HG11 VAL 22 1HG1 VAL 22 11.164 -4.155 -5.255 157 HG12 VAL 22 2HG1 VAL 22 10.825 -5.887 -5.248 158 HG13 VAL 22 3HG1 VAL 22 9.646 -4.754 -4.586 159 HG21 VAL 22 3HG2 VAL 22 11.517 -6.692 -1.937 160 HG22 VAL 22 1HG2 VAL 22 10.944 -7.172 -3.534 161 HG23 VAL 22 2HG2 VAL 22 12.647 -6.784 -3.289 162 H MET 23 H MET 23 11.967 -2.894 -1.252 163 HA MET 23 HA MET 23 14.165 -3.114 0.413 164 HB2 MET 23 2HB MET 23 12.319 -1.534 0.785 165 HB3 MET 23 3HB MET 23 11.262 -2.870 1.224 166 HG2 MET 23 2HG MET 23 13.422 -3.189 2.902 167 HG3 MET 23 3HG MET 23 13.220 -1.441 2.814 168 HE1 MET 23 3HE MET 23 10.114 -4.453 4.391 169 HE2 MET 23 1HE MET 23 10.664 -4.474 2.715 170 HE3 MET 23 2HE MET 23 11.798 -4.825 4.019 171 H ASP 24 H ASP 24 11.398 -5.273 0.074 172 HA ASP 24 HA ASP 24 11.870 -6.924 2.279 173 HB2 ASP 24 2HB ASP 24 9.803 -6.970 0.912 174 HB3 ASP 24 3HB ASP 24 10.709 -7.721 -0.399 175 H ARG 25 H ARG 25 13.230 -6.963 -0.969 176 HA ARG 25 HA ARG 25 14.838 -9.315 -0.300 177 HB2 ARG 25 2HB ARG 25 14.386 -7.855 -2.906 178 HB3 ARG 25 3HB ARG 25 15.501 -9.202 -2.722 179 HG2 ARG 25 2HG ARG 25 13.492 -10.521 -1.863 180 HG3 ARG 25 3HG ARG 25 12.512 -9.208 -2.518 181 HD2 ARG 25 2HD ARG 25 14.538 -10.762 -4.118 182 HD3 ARG 25 3HD ARG 25 12.820 -11.155 -4.058 183 HE ARG 25 HE ARG 25 14.059 -8.987 -5.495 184 HH11 ARG 25 1HH1 ARG 25 11.114 -10.206 -4.096 185 HH12 ARG 25 2HH1 ARG 25 10.083 -9.254 -5.112 186 HH21 ARG 25 1HH2 ARG 25 12.713 -7.728 -6.839 187 HH22 ARG 25 2HH2 ARG 25 10.994 -7.845 -6.672 188 H PHE 26 H PHE 26 15.038 -5.941 -0.347 189 HA PHE 26 HA PHE 26 17.717 -5.534 -1.102 190 HB2 PHE 26 2HB PHE 26 16.049 -3.717 -0.892 191 HB3 PHE 26 3HB PHE 26 16.063 -3.926 0.856 192 HD1 PHE 26 HD1 PHE 26 18.873 -3.876 -1.582 193 HD2 PHE 26 HD2 PHE 26 16.971 -1.988 1.724 194 HE1 PHE 26 HE1 PHE 26 20.748 -2.292 -1.413 195 HE2 PHE 26 HE2 PHE 26 18.842 -0.400 1.898 196 HZ PHE 26 HZ PHE 26 20.735 -0.551 0.330 197 H LEU 27 H LEU 27 16.236 -6.145 2.059 198 HA LEU 27 HA LEU 27 18.511 -5.857 3.644 199 HB2 LEU 27 2HB LEU 27 17.335 -7.395 5.227 200 HB3 LEU 27 3HB LEU 27 16.395 -6.002 4.694 201 HG LEU 27 HG LEU 27 15.615 -7.908 2.906 202 HD11 LEU 27 1HD1 LEU 27 15.264 -9.513 5.294 203 HD12 LEU 27 2HD1 LEU 27 16.958 -9.367 4.830 204 HD13 LEU 27 3HD1 LEU 27 15.779 -9.989 3.676 205 HD21 LEU 27 3HD2 LEU 27 13.556 -7.654 3.861 206 HD22 LEU 27 1HD2 LEU 27 14.390 -6.275 4.577 207 HD23 LEU 27 2HD2 LEU 27 14.181 -7.758 5.507 208 H GLU 28 H GLU 28 17.197 -8.779 2.098 209 HA GLU 28 HA GLU 28 19.282 -10.485 2.997 210 HB2 GLU 28 2HB GLU 28 17.056 -11.304 2.294 211 HB3 GLU 28 3HB GLU 28 17.422 -10.835 0.639 212 HG2 GLU 28 2HG GLU 28 19.458 -12.391 0.879 213 HG3 GLU 28 3HG GLU 28 18.600 -13.045 2.273 214 H SER 29 H SER 29 18.673 -8.812 -0.074 215 HA SER 29 HA SER 29 20.836 -9.798 -1.521 216 HB2 SER 29 2HB SER 29 19.447 -7.116 -1.658 217 HB3 SER 29 3HB SER 29 20.649 -7.648 -2.833 218 HG SER 29 HG SER 29 18.564 -8.138 -3.563 219 H PHE 30 H PHE 30 20.656 -7.085 0.731 220 HA PHE 30 HA PHE 30 23.278 -6.119 0.271 221 HB2 PHE 30 2HB PHE 30 22.347 -4.462 1.458 222 HB3 PHE 30 3HB PHE 30 21.069 -5.522 2.043 223 HD1 PHE 30 HD2 PHE 30 24.630 -4.638 2.644 224 HD2 PHE 30 HD1 PHE 30 20.984 -6.101 4.281 225 HE1 PHE 30 HE2 PHE 30 25.622 -4.581 4.895 226 HE2 PHE 30 HE1 PHE 30 21.969 -6.045 6.534 227 HZ PHE 30 HZ PHE 30 24.291 -5.286 6.844 228 H SER 31 H SER 31 21.916 -8.312 2.703 229 HA SER 31 HA SER 31 24.190 -8.698 4.253 230 HB2 SER 31 2HB SER 31 21.927 -9.520 4.851 231 HB3 SER 31 3HB SER 31 22.068 -10.758 3.604 232 HG SER 31 HG SER 31 23.424 -11.855 4.822 233 H GLU 32 H GLU 32 23.109 -10.484 1.380 234 HA GLU 32 HA GLU 32 25.377 -12.224 1.362 235 HB2 GLU 32 2HB GLU 32 23.045 -12.611 0.322 236 HB3 GLU 32 3HB GLU 32 23.641 -11.653 -1.026 237 HG2 GLU 32 2HG GLU 32 25.288 -13.232 -1.565 238 HG3 GLU 32 3HG GLU 32 25.116 -14.061 -0.019 239 H LEU 33 H LEU 33 24.466 -9.291 -0.396 240 HA LEU 33 HA LEU 33 26.553 -9.202 -2.229 241 HB2 LEU 33 2HB LEU 33 24.651 -7.710 -2.347 242 HB3 LEU 33 3HB LEU 33 25.132 -6.936 -0.839 243 HG LEU 33 HG LEU 33 25.598 -5.744 -3.087 244 HD11 LEU 33 1HD1 LEU 33 27.296 -4.536 -2.084 245 HD12 LEU 33 2HD1 LEU 33 27.995 -5.959 -1.313 246 HD13 LEU 33 3HD1 LEU 33 26.488 -5.277 -0.702 247 HD21 LEU 33 3HD2 LEU 33 26.823 -8.020 -3.779 248 HD22 LEU 33 1HD2 LEU 33 28.195 -7.157 -3.084 249 HD23 LEU 33 2HD2 LEU 33 27.290 -6.444 -4.419 250 H TYR 34 H TYR 34 26.448 -8.192 1.142 251 HA TYR 34 HA TYR 34 28.962 -6.883 1.166 252 HB2 TYR 34 2HB TYR 34 27.494 -6.338 2.932 253 HB3 TYR 34 3HB TYR 34 27.204 -8.029 3.325 254 HD1 TYR 34 HD1 TYR 34 28.829 -9.302 4.624 255 HD2 TYR 34 HD2 TYR 34 29.477 -5.195 3.722 256 HE1 TYR 34 HE1 TYR 34 30.590 -9.210 6.338 257 HE2 TYR 34 HE2 TYR 34 31.241 -5.091 5.433 258 HH TYR 34 HH TYR 34 31.644 -6.725 7.759 259 H ASP 35 H ASP 35 27.959 -10.206 1.599 260 HA ASP 35 HA ASP 35 30.456 -11.133 2.635 261 HB2 ASP 35 2HB ASP 35 27.867 -12.216 2.192 262 HB3 ASP 35 3HB ASP 35 29.020 -13.241 1.341 263 H ILE 36 H ILE 36 29.141 -10.608 -0.536 264 HA ILE 36 HA ILE 36 31.356 -12.048 -1.795 265 HB ILE 36 HB ILE 36 29.194 -12.495 -2.763 266 HG12 ILE 36 2HG1 ILE 36 31.404 -11.801 -4.182 267 HG13 ILE 36 3HG1 ILE 36 29.933 -12.444 -4.905 268 HG21 ILE 36 1HG2 ILE 36 27.949 -10.570 -2.120 269 HG22 ILE 36 2HG2 ILE 36 28.992 -9.507 -3.064 270 HG23 ILE 36 3HG2 ILE 36 27.924 -10.647 -3.881 271 HD11 ILE 36 3HD1 ILE 36 30.381 -9.502 -4.545 272 HD12 ILE 36 1HD1 ILE 36 30.940 -10.380 -5.968 273 HD13 ILE 36 2HD1 ILE 36 29.218 -10.320 -5.589 274 H ILE 37 H ILE 37 30.412 -8.892 -0.913 275 HA ILE 37 HA ILE 37 31.622 -7.340 -2.901 276 HB ILE 37 HB ILE 37 30.128 -6.555 -0.982 277 HG12 ILE 37 2HG1 ILE 37 31.362 -4.321 -0.866 278 HG13 ILE 37 3HG1 ILE 37 32.619 -5.083 -1.835 279 HG21 ILE 37 1HG2 ILE 37 32.123 -7.548 0.593 280 HG22 ILE 37 2HG2 ILE 37 32.473 -5.821 0.602 281 HG23 ILE 37 3HG2 ILE 37 30.890 -6.402 1.119 282 HD11 ILE 37 3HD1 ILE 37 29.888 -4.233 -2.589 283 HD12 ILE 37 1HD1 ILE 37 31.401 -4.128 -3.488 284 HD13 ILE 37 2HD1 ILE 37 30.547 -5.668 -3.375 285 H ASP 38 H ASP 38 33.009 -9.338 -0.505 286 HA ASP 38 HA ASP 38 35.482 -8.001 -0.145 287 HB2 ASP 38 2HB ASP 38 34.633 -9.751 1.389 288 HB3 ASP 38 3HB ASP 38 34.878 -10.953 0.124 289 H GLU 39 H GLU 39 34.216 -10.024 -2.647 290 HA GLU 39 HA GLU 39 36.700 -10.857 -3.758 291 HB2 GLU 39 2HB GLU 39 33.991 -10.619 -5.079 292 HB3 GLU 39 3HB GLU 39 35.372 -11.496 -5.721 293 HG2 GLU 39 2HG GLU 39 34.150 -12.158 -3.064 294 HG3 GLU 39 3HG GLU 39 33.570 -12.856 -4.575 295 H ASN 40 H ASN 40 36.949 -10.274 -6.274 296 HA ASN 40 HA ASN 40 36.572 -7.439 -6.769 297 HB2 ASN 40 2HB ASN 40 38.732 -7.701 -5.465 298 HB3 ASN 40 3HB ASN 40 39.363 -8.589 -6.849 299 HD21 ASN 40 1HD2 ASN 40 40.351 -7.466 -8.366 300 HD22 ASN 40 2HD2 ASN 40 40.239 -5.757 -8.595 301 H ASP 41 H ASP 41 35.956 -10.219 -7.880 302 HA ASP 41 HA ASP 41 37.127 -9.935 -10.554 303 HB2 ASP 41 2HB ASP 41 35.990 -12.202 -9.002 304 HB3 ASP 41 3HB ASP 41 35.770 -12.236 -10.749 305 H THR 42 H THR 42 35.922 -9.525 -12.340 306 HA THR 42 HA THR 42 33.376 -8.301 -11.988 307 HB THR 42 HB THR 42 33.354 -8.132 -14.474 308 HG1 THR 42 HG1 THR 42 35.323 -8.833 -15.533 309 HG21 THR 42 3HG2 THR 42 34.810 -6.377 -14.481 310 HG22 THR 42 1HG2 THR 42 36.097 -7.299 -13.705 311 HG23 THR 42 2HG2 THR 42 34.761 -6.668 -12.743 312 H ASP 43 H ASP 43 34.449 -11.477 -12.950 313 HA ASP 43 HA ASP 43 32.040 -12.365 -14.137 314 HB2 ASP 43 2HB ASP 43 34.457 -13.720 -13.000 315 HB3 ASP 43 3HB ASP 43 33.038 -14.681 -13.406 316 H VAL 44 H VAL 44 33.326 -12.662 -10.841 317 HA VAL 44 HA VAL 44 31.088 -14.101 -9.833 318 HB VAL 44 HB VAL 44 33.242 -14.227 -8.711 319 HG11 VAL 44 1HG1 VAL 44 33.970 -11.917 -9.188 320 HG12 VAL 44 2HG1 VAL 44 32.833 -11.331 -7.972 321 HG13 VAL 44 3HG1 VAL 44 34.183 -12.361 -7.495 322 HG21 VAL 44 3HG2 VAL 44 30.769 -13.886 -7.479 323 HG22 VAL 44 1HG2 VAL 44 32.208 -14.630 -6.782 324 HG23 VAL 44 2HG2 VAL 44 31.887 -12.915 -6.522 325 H MET 45 H MET 45 31.976 -10.688 -9.933 326 HA MET 45 HA MET 45 29.833 -9.789 -8.291 327 HB2 MET 45 2HB MET 45 31.818 -8.492 -10.106 328 HB3 MET 45 3HB MET 45 30.410 -7.565 -9.605 329 HG2 MET 45 2HG MET 45 32.218 -8.941 -7.645 330 HG3 MET 45 3HG MET 45 32.505 -7.300 -8.220 331 HE1 MET 45 3HE MET 45 29.101 -5.785 -7.652 332 HE2 MET 45 1HE MET 45 30.479 -5.038 -6.842 333 HE3 MET 45 2HE MET 45 30.669 -5.719 -8.458 334 H MET 46 H MET 46 30.316 -9.965 -11.803 335 HA MET 46 HA MET 46 27.811 -8.817 -12.477 336 HB2 MET 46 2HB MET 46 28.312 -9.375 -14.709 337 HB3 MET 46 3HB MET 46 29.874 -9.060 -13.964 338 HG2 MET 46 2HG MET 46 30.413 -10.976 -15.013 339 HG3 MET 46 3HG MET 46 29.741 -11.688 -13.548 340 HE1 MET 46 3HE MET 46 28.954 -11.876 -17.700 341 HE2 MET 46 1HE MET 46 27.540 -10.872 -17.379 342 HE3 MET 46 2HE MET 46 29.142 -10.320 -16.890 343 H ASP 47 H ASP 47 28.896 -12.101 -11.874 344 HA ASP 47 HA ASP 47 26.541 -13.385 -12.822 345 HB2 ASP 47 2HB ASP 47 28.633 -14.613 -12.634 346 HB3 ASP 47 3HB ASP 47 28.668 -14.339 -10.894 347 H PHE 48 H PHE 48 27.629 -12.288 -9.641 348 HA PHE 48 HA PHE 48 25.381 -13.331 -8.233 349 HB2 PHE 48 2HB PHE 48 27.335 -12.965 -6.945 350 HB3 PHE 48 3HB PHE 48 27.509 -11.315 -7.536 351 HD1 PHE 48 HD1 PHE 48 25.694 -13.511 -5.234 352 HD2 PHE 48 HD2 PHE 48 26.246 -9.511 -6.581 353 HE1 PHE 48 HE1 PHE 48 24.468 -12.684 -3.268 354 HE2 PHE 48 HE2 PHE 48 25.021 -8.677 -4.617 355 HZ PHE 48 HZ PHE 48 24.130 -10.264 -2.958 356 H ILE 49 H ILE 49 26.238 -10.118 -9.463 357 HA ILE 49 HA ILE 49 23.979 -8.759 -8.485 358 HB ILE 49 HB ILE 49 26.071 -8.209 -10.490 359 HG12 ILE 49 2HG1 ILE 49 25.650 -5.885 -9.269 360 HG13 ILE 49 3HG1 ILE 49 24.830 -6.917 -8.103 361 HG21 ILE 49 1HG2 ILE 49 24.269 -7.723 -11.934 362 HG22 ILE 49 2HG2 ILE 49 23.346 -6.952 -10.645 363 HG23 ILE 49 3HG2 ILE 49 24.794 -6.171 -11.280 364 HD11 ILE 49 3HD1 ILE 49 27.715 -6.932 -8.908 365 HD12 ILE 49 1HD1 ILE 49 27.014 -6.700 -7.307 366 HD13 ILE 49 2HD1 ILE 49 26.969 -8.291 -8.067 367 H SER 50 H SER 50 24.605 -10.241 -11.657 368 HA SER 50 HA SER 50 22.105 -9.591 -12.788 369 HB2 SER 50 2HB SER 50 24.202 -10.352 -14.015 370 HB3 SER 50 3HB SER 50 23.779 -11.994 -13.530 371 HG SER 50 HG SER 50 21.927 -10.332 -14.863 372 H ARG 51 H ARG 51 23.232 -12.366 -10.933 373 HA ARG 51 HA ARG 51 20.919 -13.962 -11.311 374 HB2 ARG 51 2HB ARG 51 23.112 -14.853 -10.571 375 HB3 ARG 51 3HB ARG 51 22.905 -14.028 -9.033 376 HG2 ARG 51 2HG ARG 51 22.290 -16.245 -8.625 377 HG3 ARG 51 3HG ARG 51 20.764 -15.371 -8.776 378 HD2 ARG 51 2HD ARG 51 20.830 -16.068 -11.240 379 HD3 ARG 51 3HD ARG 51 22.077 -17.213 -10.749 380 HE ARG 51 HE ARG 51 19.273 -17.452 -10.315 381 HH11 ARG 51 1HH1 ARG 51 22.384 -18.208 -8.948 382 HH12 ARG 51 2HH1 ARG 51 21.807 -19.580 -8.062 383 HH21 ARG 51 1HH2 ARG 51 18.501 -19.257 -9.154 384 HH22 ARG 51 2HH2 ARG 51 19.598 -20.177 -8.181 385 H PHE 52 H PHE 52 21.898 -11.662 -8.807 386 HA PHE 52 HA PHE 52 19.540 -12.096 -7.226 387 HB2 PHE 52 2HB PHE 52 22.028 -10.644 -6.966 388 HB3 PHE 52 3HB PHE 52 20.667 -9.638 -6.483 389 HD1 PHE 52 HD2 PHE 52 19.313 -10.211 -4.564 390 HD2 PHE 52 HD1 PHE 52 22.607 -12.639 -5.734 391 HE1 PHE 52 HE2 PHE 52 19.247 -11.347 -2.382 392 HE2 PHE 52 HE1 PHE 52 22.545 -13.779 -3.555 393 HZ PHE 52 HZ PHE 52 20.863 -13.134 -1.876 394 H ALA 53 H ALA 53 20.531 -9.901 -9.748 395 HA ALA 53 HA ALA 53 18.183 -8.215 -9.374 396 HB1 ALA 53 1HB ALA 53 20.079 -7.886 -11.654 397 HB2 ALA 53 2HB ALA 53 19.187 -6.665 -10.745 398 HB3 ALA 53 3HB ALA 53 20.594 -7.448 -10.025 399 H ARG 54 H ARG 54 17.641 -7.512 -12.001 400 HA ARG 54 HA ARG 54 16.440 -8.115 -13.838 401 HB2 ARG 54 2HB ARG 54 18.456 -9.806 -13.955 402 HB3 ARG 54 3HB ARG 54 17.222 -10.985 -13.531 403 HG2 ARG 54 2HG ARG 54 17.106 -11.118 -15.793 404 HG3 ARG 54 3HG ARG 54 15.935 -9.826 -15.525 405 HD2 ARG 54 2HD ARG 54 18.833 -9.225 -15.999 406 HD3 ARG 54 3HD ARG 54 17.729 -9.506 -17.344 407 HE ARG 54 HE ARG 54 17.839 -7.187 -15.639 408 HH11 ARG 54 1HH1 ARG 54 15.889 -9.068 -17.824 409 HH12 ARG 54 2HH1 ARG 54 14.843 -7.748 -18.234 410 HH21 ARG 54 1HH2 ARG 54 16.469 -5.442 -16.169 411 HH22 ARG 54 2HH2 ARG 54 15.174 -5.686 -17.292 412 H THR 55 H THR 55 14.871 -7.764 -11.837 413 HA THR 55 HA THR 55 13.214 -10.174 -11.515 414 HB THR 55 HB THR 55 12.184 -9.038 -9.590 415 HG1 THR 55 HG1 THR 55 14.187 -7.045 -9.800 416 HG21 THR 55 3HG2 THR 55 14.198 -10.468 -9.303 417 HG22 THR 55 1HG2 THR 55 14.051 -9.217 -8.071 418 HG23 THR 55 2HG2 THR 55 15.197 -9.018 -9.396 419 H ASP 56 H ASP 56 12.590 -6.663 -11.502 420 HA ASP 56 HA ASP 56 11.054 -6.562 -13.825 421 HB2 ASP 56 2HB ASP 56 9.685 -7.991 -11.923 422 HB3 ASP 56 3HB ASP 56 9.054 -6.364 -11.685 423 H GLU 57 H GLU 57 9.154 -4.682 -13.271 424 HA GLU 57 HA GLU 57 10.805 -2.453 -12.316 425 HB2 GLU 57 2HB GLU 57 9.462 -1.009 -13.651 426 HB3 GLU 57 3HB GLU 57 9.842 -2.409 -14.644 427 HG2 GLU 57 2HG GLU 57 7.612 -3.347 -14.052 428 HG3 GLU 57 3HG GLU 57 7.246 -1.822 -13.246 429 H ILE 58 H ILE 58 8.813 -0.586 -11.843 430 HA ILE 58 HA ILE 58 7.599 -1.673 -9.394 431 HB ILE 58 HB ILE 58 7.396 0.815 -8.789 432 HG12 ILE 58 2HG1 ILE 58 8.096 1.340 -11.289 433 HG13 ILE 58 3HG1 ILE 58 8.564 2.408 -9.971 434 HG21 ILE 58 1HG2 ILE 58 9.926 0.855 -8.211 435 HG22 ILE 58 2HG2 ILE 58 8.895 -0.391 -7.509 436 HG23 ILE 58 3HG2 ILE 58 9.925 -0.774 -8.888 437 HD11 ILE 58 3HD1 ILE 58 10.391 0.199 -10.768 438 HD12 ILE 58 1HD1 ILE 58 10.304 1.657 -11.756 439 HD13 ILE 58 2HD1 ILE 58 10.761 1.769 -10.056 440 H MET 59 H MET 59 5.451 -1.710 -9.160 441 HA MET 59 HA MET 59 3.771 -1.014 -11.367 442 HB2 MET 59 2HB MET 59 3.490 -2.424 -8.811 443 HB3 MET 59 3HB MET 59 2.058 -1.520 -9.282 444 HG2 MET 59 2HG MET 59 1.843 -2.728 -11.301 445 HG3 MET 59 3HG MET 59 3.443 -3.445 -11.121 446 HE1 MET 59 3HE MET 59 -0.249 -3.879 -10.693 447 HE2 MET 59 1HE MET 59 0.624 -5.012 -11.725 448 HE3 MET 59 2HE MET 59 -0.216 -5.595 -10.288 449 HA PRO 60 HA PRO 60 2.355 2.998 -10.299 450 HB2 PRO 60 2HB PRO 60 -0.328 2.851 -10.692 451 HB3 PRO 60 3HB PRO 60 0.839 2.846 -12.019 452 HG2 PRO 60 2HG PRO 60 -0.583 0.544 -10.738 453 HG3 PRO 60 3HG PRO 60 -0.282 0.856 -12.457 454 HD2 PRO 60 2HD PRO 60 1.213 -0.874 -11.008 455 HD3 PRO 60 3HD PRO 60 1.884 0.075 -12.350 456 H GLU 61 H GLU 61 1.170 0.298 -8.528 457 HA GLU 61 HA GLU 61 -0.270 1.884 -6.580 458 HB2 GLU 61 2HB GLU 61 -0.872 -0.158 -5.558 459 HB3 GLU 61 3HB GLU 61 -0.900 -0.476 -7.287 460 HG2 GLU 61 2HG GLU 61 1.493 -1.336 -6.968 461 HG3 GLU 61 3HG GLU 61 1.104 -1.364 -5.249 462 H ASP 62 H ASP 62 2.926 0.773 -7.081 463 HA ASP 62 HA ASP 62 3.636 1.559 -4.330 464 HB2 ASP 62 2HB ASP 62 5.725 -0.035 -5.236 465 HB3 ASP 62 3HB ASP 62 4.475 -0.505 -4.087 466 H LYS 63 H LYS 63 6.279 1.798 -4.435 467 HA LYS 63 HA LYS 63 7.111 3.279 -6.777 468 HB2 LYS 63 2HB LYS 63 7.770 5.085 -4.772 469 HB3 LYS 63 3HB LYS 63 6.520 5.289 -5.993 470 HG2 LYS 63 2HG LYS 63 4.907 4.216 -4.439 471 HG3 LYS 63 3HG LYS 63 6.173 4.200 -3.209 472 HD2 LYS 63 2HD LYS 63 5.262 6.187 -2.639 473 HD3 LYS 63 3HD LYS 63 6.272 6.788 -3.956 474 HE2 LYS 63 2HE LYS 63 3.752 5.782 -4.946 475 HE3 LYS 63 3HE LYS 63 3.501 7.015 -3.711 476 HZ1 LYS 63 3HZ LYS 63 5.540 7.861 -5.449 477 HZ2 LYS 63 1HZ LYS 63 4.025 8.564 -5.181 478 HZ3 LYS 63 2HZ LYS 63 4.210 7.385 -6.379 479 H THR 64 H THR 64 9.335 4.500 -5.938 480 HA THR 64 HA THR 64 10.937 2.287 -4.847 481 HB THR 64 HB THR 64 11.814 4.621 -6.560 482 HG1 THR 64 HG1 THR 64 12.235 2.758 -8.030 483 HG21 THR 64 3HG2 THR 64 13.986 3.671 -6.589 484 HG22 THR 64 1HG2 THR 64 13.435 2.203 -5.784 485 HG23 THR 64 2HG2 THR 64 13.501 3.724 -4.895 486 H VAL 65 H VAL 65 11.519 2.511 -2.796 487 HA VAL 65 HA VAL 65 11.217 4.754 -1.213 488 HB VAL 65 HB VAL 65 11.526 2.709 -0.091 489 HG11 VAL 65 1HG1 VAL 65 13.893 2.427 -1.870 490 HG12 VAL 65 2HG1 VAL 65 13.925 1.628 -0.297 491 HG13 VAL 65 3HG1 VAL 65 12.645 1.253 -1.452 492 HG21 VAL 65 3HG2 VAL 65 12.774 3.491 1.599 493 HG22 VAL 65 1HG2 VAL 65 14.214 3.635 0.591 494 HG23 VAL 65 2HG2 VAL 65 13.000 4.914 0.582 495 H GLY 66 H GLY 66 13.998 3.756 -3.142 496 HA2 GLY 66 2HA GLY 66 15.017 6.170 -3.784 497 HA3 GLY 66 3HA GLY 66 15.646 5.923 -2.161 498 H PHE 67 H PHE 67 17.673 6.147 -3.542 499 HA PHE 67 HA PHE 67 18.521 3.451 -4.360 500 HB2 PHE 67 2HB PHE 67 19.814 4.358 -6.178 501 HB3 PHE 67 3HB PHE 67 18.164 4.952 -6.331 502 HD1 PHE 67 HD2 PHE 67 17.635 7.289 -5.855 503 HD2 PHE 67 HD1 PHE 67 21.634 5.839 -5.718 504 HE1 PHE 67 HE2 PHE 67 18.472 9.601 -5.928 505 HE2 PHE 67 HE1 PHE 67 22.478 8.149 -5.789 506 HZ PHE 67 HZ PHE 67 20.897 10.034 -5.893 507 H VAL 68 H VAL 68 20.653 2.883 -3.890 508 HA VAL 68 HA VAL 68 22.038 4.704 -2.030 509 HB VAL 68 HB VAL 68 22.083 1.683 -2.011 510 HG11 VAL 68 1HG1 VAL 68 24.063 2.066 -1.009 511 HG12 VAL 68 2HG1 VAL 68 23.675 3.750 -0.650 512 HG13 VAL 68 3HG1 VAL 68 23.061 2.461 0.387 513 HG21 VAL 68 3HG2 VAL 68 20.119 1.903 -0.960 514 HG22 VAL 68 1HG2 VAL 68 21.064 2.521 0.395 515 HG23 VAL 68 2HG2 VAL 68 20.326 3.642 -0.749 516 H VAL 69 H VAL 69 24.020 5.329 -2.584 517 HA VAL 69 HA VAL 69 25.344 3.944 -4.814 518 HB VAL 69 HB VAL 69 25.891 6.721 -3.757 519 HG11 VAL 69 1HG1 VAL 69 26.679 6.118 -6.485 520 HG12 VAL 69 2HG1 VAL 69 27.613 6.834 -5.170 521 HG13 VAL 69 3HG1 VAL 69 27.483 5.080 -5.309 522 HG21 VAL 69 3HG2 VAL 69 24.324 5.868 -6.190 523 HG22 VAL 69 1HG2 VAL 69 23.650 6.567 -4.718 524 HG23 VAL 69 2HG2 VAL 69 24.716 7.528 -5.743 525 H VAL 70 H VAL 70 27.011 2.687 -4.346 526 HA VAL 70 HA VAL 70 28.642 3.327 -1.974 527 HB VAL 70 HB VAL 70 28.186 0.529 -2.996 528 HG11 VAL 70 1HG1 VAL 70 29.120 -0.163 -0.908 529 HG12 VAL 70 2HG1 VAL 70 30.210 1.029 -1.619 530 HG13 VAL 70 3HG1 VAL 70 29.131 1.493 -0.303 531 HG21 VAL 70 3HG2 VAL 70 26.641 0.269 -1.055 532 HG22 VAL 70 1HG2 VAL 70 26.692 2.019 -0.844 533 HG23 VAL 70 2HG2 VAL 70 26.028 1.328 -2.324 534 H ASN 71 H ASN 71 30.638 3.880 -2.517 535 HA ASN 71 HA ASN 71 31.832 2.664 -4.922 536 HB2 ASN 71 2HB ASN 71 32.458 5.393 -3.777 537 HB3 ASN 71 3HB ASN 71 33.085 4.709 -5.274 538 HD21 ASN 71 1HD2 ASN 71 30.558 6.431 -3.794 539 HD22 ASN 71 2HD2 ASN 71 29.541 6.597 -5.181 540 H ALA 72 H ALA 72 33.254 1.173 -4.308 541 HA ALA 72 HA ALA 72 34.527 1.141 -1.770 542 HB1 ALA 72 1HB ALA 72 35.339 -0.416 -4.218 543 HB2 ALA 72 2HB ALA 72 35.656 -0.820 -2.530 544 HB3 ALA 72 3HB ALA 72 34.008 -0.874 -3.155 545 H ASP 73 H ASP 73 35.505 2.209 -4.976 546 HA ASP 73 HA ASP 73 38.246 2.526 -4.516 547 HB2 ASP 73 2HB ASP 73 36.656 2.859 -6.671 548 HB3 ASP 73 3HB ASP 73 36.919 4.545 -6.232 549 H LYS 74 H LYS 74 35.519 4.639 -3.817 550 HA LYS 74 HA LYS 74 37.312 6.689 -2.756 551 HB2 LYS 74 2HB LYS 74 34.341 6.628 -3.273 552 HB3 LYS 74 3HB LYS 74 35.127 7.949 -2.419 553 HG2 LYS 74 2HG LYS 74 36.523 8.380 -4.385 554 HG3 LYS 74 3HG LYS 74 35.710 7.068 -5.241 555 HD2 LYS 74 2HD LYS 74 33.583 8.247 -5.048 556 HD3 LYS 74 3HD LYS 74 34.373 9.547 -4.151 557 HE2 LYS 74 2HE LYS 74 35.127 8.733 -6.954 558 HE3 LYS 74 3HE LYS 74 33.986 10.024 -6.580 559 HZ1 LYS 74 3HZ LYS 74 36.891 9.928 -6.103 560 HZ2 LYS 74 1HZ LYS 74 35.911 10.932 -5.156 561 HZ3 LYS 74 2HZ LYS 74 35.969 11.144 -6.833 562 H LYS 75 H LYS 75 35.620 3.988 -1.695 563 HA LYS 75 HA LYS 75 35.163 3.119 0.357 564 HB2 LYS 75 2HB LYS 75 37.252 5.171 0.999 565 HB3 LYS 75 3HB LYS 75 36.453 4.300 2.301 566 HG2 LYS 75 2HG LYS 75 38.257 2.954 1.977 567 HG3 LYS 75 3HG LYS 75 37.121 2.204 0.854 568 HD2 LYS 75 2HD LYS 75 39.043 2.406 -0.429 569 HD3 LYS 75 3HD LYS 75 38.130 3.848 -0.878 570 HE2 LYS 75 2HE LYS 75 40.382 4.523 -0.512 571 HE3 LYS 75 3HE LYS 75 39.435 5.100 0.858 572 HZ1 LYS 75 3HZ LYS 75 40.250 3.316 2.195 573 HZ2 LYS 75 1HZ LYS 75 41.581 4.078 1.483 574 HZ3 LYS 75 2HZ LYS 75 41.031 2.598 0.878 575 H LEU 76 H LEU 76 33.326 4.979 -0.669 576 HA LEU 76 HA LEU 76 32.150 5.936 1.833 577 HB2 LEU 76 2HB LEU 76 31.363 7.956 0.334 578 HB3 LEU 76 3HB LEU 76 32.889 7.992 1.214 579 HG LEU 76 HG LEU 76 34.007 7.247 -0.920 580 HD11 LEU 76 1HD1 LEU 76 32.163 6.338 -2.126 581 HD12 LEU 76 2HD1 LEU 76 32.724 7.763 -3.002 582 HD13 LEU 76 3HD1 LEU 76 31.267 7.853 -2.012 583 HD21 LEU 76 3HD2 LEU 76 34.439 9.446 -0.553 584 HD22 LEU 76 1HD2 LEU 76 32.733 9.875 -0.416 585 HD23 LEU 76 2HD2 LEU 76 33.452 9.614 -2.006 586 H MET 77 H MET 77 29.866 6.138 1.786 587 HA MET 77 HA MET 77 28.483 5.204 -0.606 588 HB2 MET 77 2HB MET 77 27.401 3.385 0.419 589 HB3 MET 77 3HB MET 77 29.084 3.230 0.906 590 HG2 MET 77 2HG MET 77 28.547 4.258 3.062 591 HG3 MET 77 3HG MET 77 26.859 4.382 2.572 592 HE1 MET 77 3HE MET 77 25.733 2.422 1.475 593 HE2 MET 77 1HE MET 77 26.695 0.980 1.148 594 HE3 MET 77 2HE MET 77 25.497 0.965 2.442 595 H SER 78 H SER 78 26.617 6.253 -0.916 596 HA SER 78 HA SER 78 25.458 7.713 1.366 597 HB2 SER 78 2HB SER 78 25.367 8.661 -1.500 598 HB3 SER 78 3HB SER 78 24.949 9.568 -0.047 599 HG SER 78 HG SER 78 27.547 8.539 -0.411 600 H VAL 79 H VAL 79 23.302 7.553 1.681 601 HA VAL 79 HA VAL 79 21.776 5.967 -0.283 602 HB VAL 79 HB VAL 79 21.317 6.084 2.701 603 HG11 VAL 79 1HG1 VAL 79 19.307 5.275 2.207 604 HG12 VAL 79 2HG1 VAL 79 19.715 5.161 0.494 605 HG13 VAL 79 3HG1 VAL 79 20.102 3.830 1.585 606 HG21 VAL 79 3HG2 VAL 79 23.209 4.581 1.180 607 HG22 VAL 79 1HG2 VAL 79 22.906 4.549 2.918 608 HG23 VAL 79 2HG2 VAL 79 22.001 3.481 1.845 609 H SER 80 H SER 80 20.225 7.062 -1.271 610 HA SER 80 HA SER 80 18.992 9.341 0.135 611 HB2 SER 80 2HB SER 80 20.279 10.142 -1.751 612 HB3 SER 80 3HB SER 80 19.514 8.968 -2.823 613 HG SER 80 HG SER 80 18.686 11.417 -2.202 614 H PHE 81 H PHE 81 16.943 9.035 0.663 615 HA PHE 81 HA PHE 81 15.212 7.503 -1.139 616 HB2 PHE 81 2HB PHE 81 14.141 6.534 0.999 617 HB3 PHE 81 3HB PHE 81 15.663 5.839 0.451 618 HD1 PHE 81 HD2 PHE 81 14.343 8.460 2.745 619 HD2 PHE 81 HD1 PHE 81 17.393 5.598 1.954 620 HE1 PHE 81 HE2 PHE 81 15.336 8.912 4.951 621 HE2 PHE 81 HE1 PHE 81 18.389 6.045 4.158 622 HZ PHE 81 HZ PHE 81 17.361 7.703 5.660 623 H SER 82 H SER 82 13.077 8.154 -1.191 624 HA SER 82 HA SER 82 12.461 10.595 0.343 625 HB2 SER 82 2HB SER 82 12.032 9.886 -2.518 626 HB3 SER 82 3HB SER 82 10.791 10.857 -1.727 627 HG SER 82 HG SER 82 12.154 12.489 -1.548 628 H ASP 83 H ASP 83 10.255 10.922 0.958 629 HA ASP 83 HA ASP 83 8.525 10.074 2.244 630 HB2 ASP 83 2HB ASP 83 8.051 9.303 -0.617 631 HB3 ASP 83 3HB ASP 83 6.878 8.859 0.620 632 H ILE 84 H ILE 84 9.665 8.632 3.614 633 HA ILE 84 HA ILE 84 9.106 5.810 3.017 634 HB ILE 84 HB ILE 84 11.209 5.075 3.849 635 HG12 ILE 84 2HG1 ILE 84 12.237 7.849 4.269 636 HG13 ILE 84 3HG1 ILE 84 11.226 7.131 5.518 637 HG21 ILE 84 1HG2 ILE 84 12.742 5.969 2.226 638 HG22 ILE 84 2HG2 ILE 84 11.136 5.876 1.504 639 HG23 ILE 84 3HG2 ILE 84 11.768 7.428 2.052 640 HD11 ILE 84 3HD1 ILE 84 13.906 6.238 4.533 641 HD12 ILE 84 1HD1 ILE 84 13.406 6.651 6.173 642 HD13 ILE 84 2HD1 ILE 84 12.839 5.156 5.429 643 H ASP 85 H ASP 85 10.049 4.687 5.335 644 HA ASP 85 HA ASP 85 8.725 6.116 7.525 645 HB2 ASP 85 2HB ASP 85 8.187 3.206 6.899 646 HB3 ASP 85 3HB ASP 85 7.457 4.165 8.184 647 H GLU 86 H GLU 86 9.158 5.048 9.662 648 HA GLU 86 HA GLU 86 11.942 4.683 9.991 649 HB2 GLU 86 2HB GLU 86 11.413 4.233 12.340 650 HB3 GLU 86 3HB GLU 86 10.541 5.640 11.750 651 HG2 GLU 86 2HG GLU 86 8.552 4.183 11.413 652 HG3 GLU 86 3HG GLU 86 9.442 2.876 12.192 653 H ASN 87 H ASN 87 9.319 2.489 9.446 654 HA ASN 87 HA ASN 87 10.388 0.124 10.480 655 HB2 ASN 87 2HB ASN 87 8.489 0.673 8.206 656 HB3 ASN 87 3HB ASN 87 8.955 -0.968 8.646 657 HD21 ASN 87 1HD2 ASN 87 8.621 -1.557 10.944 658 HD22 ASN 87 2HD2 ASN 87 7.209 -0.949 11.732 659 H MET 88 H MET 88 10.616 1.449 7.181 660 HA MET 88 HA MET 88 12.485 -0.590 6.372 661 HB2 MET 88 2HB MET 88 12.583 0.704 4.250 662 HB3 MET 88 3HB MET 88 10.948 0.257 4.720 663 HG2 MET 88 2HG MET 88 11.095 2.676 5.862 664 HG3 MET 88 3HG MET 88 12.206 2.912 4.515 665 HE1 MET 88 3HE MET 88 10.424 2.229 1.456 666 HE2 MET 88 1HE MET 88 11.521 1.304 2.481 667 HE3 MET 88 2HE MET 88 9.864 0.752 2.240 668 H LYS 89 H LYS 89 12.613 2.739 7.450 669 HA LYS 89 HA LYS 89 15.150 3.492 6.668 670 HB2 LYS 89 2HB LYS 89 13.351 4.816 7.961 671 HB3 LYS 89 3HB LYS 89 14.086 4.138 9.407 672 HG2 LYS 89 2HG LYS 89 16.274 5.101 8.595 673 HG3 LYS 89 3HG LYS 89 15.333 5.977 7.386 674 HD2 LYS 89 2HD LYS 89 14.675 6.131 10.313 675 HD3 LYS 89 3HD LYS 89 15.885 7.186 9.578 676 HE2 LYS 89 2HE LYS 89 14.267 8.123 8.093 677 HE3 LYS 89 3HE LYS 89 13.059 6.929 8.567 678 HZ1 LYS 89 3HZ LYS 89 12.640 9.037 9.640 679 HZ2 LYS 89 1HZ LYS 89 14.193 9.050 10.311 680 HZ3 LYS 89 2HZ LYS 89 13.070 7.883 10.800 681 H LYS 90 H LYS 90 14.184 1.495 9.412 682 HA LYS 90 HA LYS 90 16.640 1.335 10.726 683 HB2 LYS 90 2HB LYS 90 15.769 -0.555 11.864 684 HB3 LYS 90 3HB LYS 90 14.394 0.492 11.539 685 HG2 LYS 90 2HG LYS 90 13.459 -1.439 10.863 686 HG3 LYS 90 3HG LYS 90 14.293 -1.056 9.355 687 HD2 LYS 90 2HD LYS 90 14.794 -3.320 9.834 688 HD3 LYS 90 3HD LYS 90 16.244 -2.399 10.243 689 HE2 LYS 90 2HE LYS 90 15.290 -2.340 12.625 690 HE3 LYS 90 3HE LYS 90 14.210 -3.623 12.081 691 HZ1 LYS 90 3HZ LYS 90 16.162 -4.554 13.115 692 HZ2 LYS 90 1HZ LYS 90 17.178 -3.710 12.058 693 HZ3 LYS 90 2HZ LYS 90 16.168 -4.929 11.465 694 H VAL 91 H VAL 91 15.377 -0.493 7.990 695 HA VAL 91 HA VAL 91 17.530 -2.361 7.890 696 HB VAL 91 HB VAL 91 16.450 -3.322 6.147 697 HG11 VAL 91 1HG1 VAL 91 14.756 -2.691 7.953 698 HG12 VAL 91 2HG1 VAL 91 14.182 -1.471 6.814 699 HG13 VAL 91 3HG1 VAL 91 14.123 -3.180 6.381 700 HG21 VAL 91 3HG2 VAL 91 15.870 -0.543 5.144 701 HG22 VAL 91 1HG2 VAL 91 16.996 -1.724 4.477 702 HG23 VAL 91 2HG2 VAL 91 15.258 -2.002 4.365 703 H ILE 92 H ILE 92 16.865 0.739 6.363 704 HA ILE 92 HA ILE 92 18.995 0.661 4.498 705 HB ILE 92 HB ILE 92 17.876 3.194 5.671 706 HG12 ILE 92 2HG1 ILE 92 16.605 1.270 3.736 707 HG13 ILE 92 3HG1 ILE 92 15.901 2.010 5.169 708 HG21 ILE 92 1HG2 ILE 92 18.394 4.148 3.550 709 HG22 ILE 92 2HG2 ILE 92 19.814 3.253 4.089 710 HG23 ILE 92 3HG2 ILE 92 18.753 2.565 2.860 711 HD11 ILE 92 3HD1 ILE 92 16.483 3.304 2.524 712 HD12 ILE 92 1HD1 ILE 92 14.915 3.045 3.290 713 HD13 ILE 92 2HD1 ILE 92 16.050 4.210 3.973 714 H LYS 93 H LYS 93 18.690 2.110 7.726 715 HA LYS 93 HA LYS 93 21.290 3.208 7.810 716 HB2 LYS 93 2HB LYS 93 19.204 3.631 9.330 717 HB3 LYS 93 3HB LYS 93 19.856 2.304 10.283 718 HG2 LYS 93 2HG LYS 93 20.776 4.129 11.326 719 HG3 LYS 93 3HG LYS 93 22.060 3.681 10.201 720 HD2 LYS 93 2HD LYS 93 21.278 5.378 8.626 721 HD3 LYS 93 3HD LYS 93 19.977 5.816 9.736 722 HE2 LYS 93 2HE LYS 93 21.729 7.411 10.009 723 HE3 LYS 93 3HE LYS 93 21.725 6.373 11.434 724 HZ1 LYS 93 3HZ LYS 93 23.508 5.864 9.129 725 HZ2 LYS 93 1HZ LYS 93 23.627 5.252 10.702 726 HZ3 LYS 93 2HZ LYS 93 23.958 6.883 10.402 727 H ALA 94 H ALA 94 19.967 0.123 8.940 728 HA ALA 94 HA ALA 94 22.307 -0.828 10.182 729 HB1 ALA 94 1HB ALA 94 19.967 -2.294 8.979 730 HB2 ALA 94 2HB ALA 94 21.253 -3.079 9.899 731 HB3 ALA 94 3HB ALA 94 20.222 -1.876 10.674 732 H THR 95 H THR 95 21.145 -1.031 6.860 733 HA THR 95 HA THR 95 23.127 -2.841 5.942 734 HB THR 95 HB THR 95 21.416 -0.857 4.436 735 HG1 THR 95 HG1 THR 95 20.101 -2.445 5.125 736 HG21 THR 95 3HG2 THR 95 22.730 -1.209 2.667 737 HG22 THR 95 1HG2 THR 95 22.233 -2.900 2.709 738 HG23 THR 95 2HG2 THR 95 23.696 -2.389 3.551 739 H ALA 96 H ALA 96 22.856 0.699 5.838 740 HA ALA 96 HA ALA 96 25.295 1.126 4.460 741 HB1 ALA 96 1HB ALA 96 24.184 3.182 6.312 742 HB2 ALA 96 2HB ALA 96 24.883 3.372 4.703 743 HB3 ALA 96 3HB ALA 96 23.257 2.715 4.886 744 H GLU 97 H GLU 97 24.436 1.296 7.909 745 HA GLU 97 HA GLU 97 26.991 2.014 8.839 746 HB2 GLU 97 2HB GLU 97 26.175 1.627 10.995 747 HB3 GLU 97 3HB GLU 97 24.735 2.050 10.079 748 HG2 GLU 97 2HG GLU 97 23.975 0.239 11.230 749 HG3 GLU 97 3HG GLU 97 24.552 -0.543 9.760 750 H LYS 98 H LYS 98 25.546 -1.084 8.078 751 HA LYS 98 HA LYS 98 27.349 -2.790 9.347 752 HB2 LYS 98 2HB LYS 98 25.285 -3.604 8.348 753 HB3 LYS 98 3HB LYS 98 25.857 -3.167 6.744 754 HG2 LYS 98 2HG LYS 98 26.555 -5.268 6.575 755 HG3 LYS 98 3HG LYS 98 27.846 -4.818 7.692 756 HD2 LYS 98 2HD LYS 98 25.965 -5.328 9.488 757 HD3 LYS 98 3HD LYS 98 25.344 -6.347 8.187 758 HE2 LYS 98 2HE LYS 98 27.196 -7.727 8.208 759 HE3 LYS 98 3HE LYS 98 28.232 -6.499 8.932 760 HZ1 LYS 98 3HZ LYS 98 26.758 -8.532 10.208 761 HZ2 LYS 98 1HZ LYS 98 26.205 -7.029 10.754 762 HZ3 LYS 98 2HZ LYS 98 27.844 -7.427 10.888 763 H PHE 99 H PHE 99 27.546 -1.162 6.224 764 HA PHE 99 HA PHE 99 29.873 -2.476 5.305 765 HB2 PHE 99 2HB PHE 99 28.396 0.006 4.564 766 HB3 PHE 99 3HB PHE 99 30.041 -0.184 3.965 767 HD1 PHE 99 HD1 PHE 99 30.518 -2.592 2.929 768 HD2 PHE 99 HD2 PHE 99 26.690 -0.757 3.243 769 HE1 PHE 99 HE1 PHE 99 29.689 -4.017 1.103 770 HE2 PHE 99 HE2 PHE 99 25.855 -2.180 1.418 771 HZ PHE 99 HZ PHE 99 27.355 -3.812 0.344 772 H LYS 100 H LYS 100 29.348 0.321 7.346 773 HA LYS 100 HA LYS 100 31.938 1.399 7.287 774 HB2 LYS 100 2HB LYS 100 29.961 2.558 8.225 775 HB3 LYS 100 3HB LYS 100 29.960 1.429 9.575 776 HG2 LYS 100 2HG LYS 100 31.872 2.335 10.505 777 HG3 LYS 100 3HG LYS 100 32.396 3.054 8.981 778 HD2 LYS 100 2HD LYS 100 29.831 3.979 10.176 779 HD3 LYS 100 3HD LYS 100 31.343 4.520 10.911 780 HE2 LYS 100 2HE LYS 100 32.086 5.393 8.759 781 HE3 LYS 100 3HE LYS 100 30.601 4.820 8.001 782 HZ1 LYS 100 3HZ LYS 100 29.332 6.392 9.131 783 HZ2 LYS 100 1HZ LYS 100 30.716 7.253 8.679 784 HZ3 LYS 100 2HZ LYS 100 30.540 6.711 10.271 785 H ASN 101 H ASN 101 30.600 -1.332 8.979 786 HA ASN 101 HA ASN 101 32.546 -1.624 10.985 787 HB2 ASN 101 2HB ASN 101 30.836 -3.695 9.594 788 HB3 ASN 101 3HB ASN 101 31.810 -4.017 11.026 789 HD21 ASN 101 1HD2 ASN 101 29.517 -4.647 11.659 790 HD22 ASN 101 2HD2 ASN 101 28.586 -3.424 12.449 791 H LYS 102 H LYS 102 32.739 -2.037 7.617 792 HA LYS 102 HA LYS 102 35.116 -3.747 7.836 793 HB2 LYS 102 2HB LYS 102 33.037 -3.359 5.804 794 HB3 LYS 102 3HB LYS 102 34.667 -3.403 5.145 795 HG2 LYS 102 2HG LYS 102 33.687 -5.511 7.036 796 HG3 LYS 102 3HG LYS 102 33.373 -5.599 5.301 797 HD2 LYS 102 2HD LYS 102 35.796 -5.461 4.879 798 HD3 LYS 102 3HD LYS 102 36.083 -5.435 6.621 799 HE2 LYS 102 2HE LYS 102 36.425 -7.671 5.866 800 HE3 LYS 102 3HE LYS 102 34.907 -7.638 6.762 801 HZ1 LYS 102 3HZ LYS 102 33.772 -8.251 4.966 802 HZ2 LYS 102 1HZ LYS 102 35.259 -8.644 4.261 803 HZ3 LYS 102 2HZ LYS 102 34.555 -7.135 3.964 804 H GLY 103 H GLY 103 34.519 -0.607 8.033 805 HA2 GLY 103 2HA GLY 103 36.137 1.092 7.998 806 HA3 GLY 103 3HA GLY 103 37.131 0.093 6.948 807 H PHE 104 H PHE 104 34.028 1.839 6.933 808 HA PHE 104 HA PHE 104 34.751 3.068 4.404 809 HB2 PHE 104 2HB PHE 104 32.385 1.223 4.716 810 HB3 PHE 104 3HB PHE 104 32.481 2.429 3.437 811 HD1 PHE 104 HD2 PHE 104 33.921 -0.679 4.753 812 HD2 PHE 104 HD1 PHE 104 33.929 2.135 1.559 813 HE1 PHE 104 HE2 PHE 104 35.202 -2.259 3.368 814 HE2 PHE 104 HE1 PHE 104 35.210 0.560 0.170 815 HZ PHE 104 HZ PHE 104 35.847 -1.641 1.073 816 H LYS 105 H LYS 105 33.318 4.829 3.810 817 HA LYS 105 HA LYS 105 32.253 6.147 6.179 818 HB2 LYS 105 2HB LYS 105 33.760 7.427 4.758 819 HB3 LYS 105 3HB LYS 105 32.718 7.157 3.367 820 HG2 LYS 105 2HG LYS 105 32.394 9.387 4.212 821 HG3 LYS 105 3HG LYS 105 30.934 8.432 4.484 822 HD2 LYS 105 2HD LYS 105 31.702 8.028 6.814 823 HD3 LYS 105 3HD LYS 105 33.059 9.117 6.515 824 HE2 LYS 105 2HE LYS 105 31.462 10.923 6.008 825 HE3 LYS 105 3HE LYS 105 30.130 9.828 6.374 826 HZ1 LYS 105 3HZ LYS 105 32.121 10.027 8.455 827 HZ2 LYS 105 1HZ LYS 105 30.433 10.067 8.563 828 HZ3 LYS 105 2HZ LYS 105 31.288 11.468 8.155 829 H VAL 106 H VAL 106 30.146 6.532 6.555 830 HA VAL 106 HA VAL 106 28.224 5.684 4.485 831 HB VAL 106 HB VAL 106 27.868 5.610 7.485 832 HG11 VAL 106 1HG1 VAL 106 25.737 5.984 6.600 833 HG12 VAL 106 2HG1 VAL 106 26.042 4.962 5.194 834 HG13 VAL 106 3HG1 VAL 106 25.823 4.232 6.785 835 HG21 VAL 106 3HG2 VAL 106 28.133 3.283 7.395 836 HG22 VAL 106 1HG2 VAL 106 27.984 3.246 5.638 837 HG23 VAL 106 2HG2 VAL 106 29.436 3.912 6.387 838 H GLU 107 H GLU 107 26.807 7.146 3.775 839 HA GLU 107 HA GLU 107 26.342 9.558 5.396 840 HB2 GLU 107 2HB GLU 107 27.859 10.206 3.643 841 HB3 GLU 107 3HB GLU 107 26.873 9.407 2.427 842 HG2 GLU 107 2HG GLU 107 26.556 11.789 2.310 843 HG3 GLU 107 3HG GLU 107 25.069 11.013 2.853 844 H THR 108 H THR 108 24.275 10.305 5.470 845 HA THR 108 HA THR 108 22.265 8.790 3.934 846 HB THR 108 HB THR 108 20.728 8.951 5.770 847 HG1 THR 108 HG1 THR 108 21.010 10.309 7.401 848 HG21 THR 108 3HG2 THR 108 22.885 7.354 5.808 849 HG22 THR 108 1HG2 THR 108 21.648 7.326 7.064 850 HG23 THR 108 2HG2 THR 108 23.143 8.225 7.319 851 H ASP 109 H ASP 109 20.805 9.918 2.788 852 HA ASP 109 HA ASP 109 20.504 12.790 3.307 853 HB2 ASP 109 2HB ASP 109 21.685 11.552 0.938 854 HB3 ASP 109 3HB ASP 109 20.343 12.625 0.550 855 H MET 110 H MET 110 18.479 12.250 4.228 856 HA MET 110 HA MET 110 16.487 10.884 2.664 857 HB2 MET 110 2HB MET 110 14.992 11.337 4.529 858 HB3 MET 110 3HB MET 110 16.528 10.719 5.121 859 HG2 MET 110 2HG MET 110 17.223 13.016 5.652 860 HG3 MET 110 3HG MET 110 15.648 13.596 5.115 861 HE1 MET 110 3HE MET 110 13.292 12.999 7.895 862 HE2 MET 110 1HE MET 110 14.107 14.392 7.184 863 HE3 MET 110 2HE MET 110 13.479 13.113 6.145 Start of MODEL 15 1 H1 MET 1 H MET 1 1.200 0.124 0.997 2 HA MET 1 HA MET 1 1.598 -0.434 -1.724 3 HB2 MET 1 2HB MET 1 1.499 1.836 -0.407 4 HB3 MET 1 3HB MET 1 3.243 1.630 -0.314 5 HG2 MET 1 2HG MET 1 3.042 1.256 -2.889 6 HG3 MET 1 3HG MET 1 1.515 2.111 -2.689 7 HE1 MET 1 3HE MET 1 5.597 3.875 -1.489 8 HE2 MET 1 1HE MET 1 4.605 3.015 -0.311 9 HE3 MET 1 2HE MET 1 5.242 2.162 -1.718 10 H THR 2 H THR 2 3.620 -0.547 -2.903 11 HA THR 2 HA THR 2 5.630 -2.107 -1.431 12 HB THR 2 HB THR 2 5.014 -2.002 -4.388 13 HG1 THR 2 HG1 THR 2 3.588 -3.387 -3.534 14 HG21 THR 2 3HG2 THR 2 6.705 -3.788 -4.606 15 HG22 THR 2 1HG2 THR 2 7.141 -3.561 -2.913 16 HG23 THR 2 2HG2 THR 2 7.411 -2.262 -4.075 17 H LEU 3 H LEU 3 7.666 -1.396 -1.220 18 HA LEU 3 HA LEU 3 8.437 1.021 -2.721 19 HB2 LEU 3 2HB LEU 3 8.261 0.617 0.060 20 HB3 LEU 3 3HB LEU 3 9.979 0.677 -0.330 21 HG LEU 3 HG LEU 3 9.923 2.887 -0.860 22 HD11 LEU 3 1HD1 LEU 3 7.625 3.962 -1.512 23 HD12 LEU 3 2HD1 LEU 3 7.192 2.295 -1.891 24 HD13 LEU 3 3HD1 LEU 3 8.564 3.054 -2.698 25 HD21 LEU 3 3HD2 LEU 3 9.315 3.052 1.365 26 HD22 LEU 3 1HD2 LEU 3 7.710 2.376 1.085 27 HD23 LEU 3 2HD2 LEU 3 8.076 4.022 0.567 28 H CYS 4 H CYS 4 10.272 0.948 -3.867 29 HA CYS 4 HA CYS 4 12.049 -1.370 -3.468 30 HB2 CYS 4 2HB CYS 4 11.306 0.021 -6.049 31 HB3 CYS 4 3HB CYS 4 12.545 -1.221 -5.909 32 HG CYS 4 HG CYS 4 9.182 -1.617 -5.440 33 H ALA 5 H ALA 5 14.297 -1.042 -3.970 34 HA ALA 5 HA ALA 5 15.176 1.752 -4.077 35 HB1 ALA 5 1HB ALA 5 15.993 1.790 -2.014 36 HB2 ALA 5 2HB ALA 5 15.206 0.239 -1.720 37 HB3 ALA 5 3HB ALA 5 16.876 0.288 -2.285 38 H MET 6 H MET 6 17.093 2.086 -5.139 39 HA MET 6 HA MET 6 18.357 -0.308 -6.305 40 HB2 MET 6 2HB MET 6 18.941 1.101 -8.243 41 HB3 MET 6 3HB MET 6 17.202 0.990 -8.003 42 HG2 MET 6 2HG MET 6 17.450 3.201 -6.718 43 HG3 MET 6 3HG MET 6 19.025 3.307 -7.501 44 HE1 MET 6 3HE MET 6 19.214 2.515 -9.889 45 HE2 MET 6 1HE MET 6 18.038 2.800 -11.172 46 HE3 MET 6 2HE MET 6 19.008 4.136 -10.553 47 H TYR 7 H TYR 7 20.403 -0.650 -5.759 48 HA TYR 7 HA TYR 7 22.009 1.641 -4.830 49 HB2 TYR 7 2HB TYR 7 23.033 0.284 -3.170 50 HB3 TYR 7 3HB TYR 7 21.303 -0.010 -3.038 51 HD1 TYR 7 HD1 TYR 7 20.378 -2.097 -4.237 52 HD2 TYR 7 HD2 TYR 7 24.511 -1.503 -3.417 53 HE1 TYR 7 HE1 TYR 7 20.767 -4.514 -4.477 54 HE2 TYR 7 HE2 TYR 7 24.911 -3.918 -3.655 55 HH TYR 7 HH TYR 7 22.250 -6.183 -4.133 56 H ASN 8 H ASN 8 24.052 1.845 -5.608 57 HA ASN 8 HA ASN 8 24.896 -0.140 -7.614 58 HB2 ASN 8 2HB ASN 8 25.933 1.599 -8.856 59 HB3 ASN 8 3HB ASN 8 24.346 2.214 -8.402 60 HD21 ASN 8 1HD2 ASN 8 27.771 2.337 -7.684 61 HD22 ASN 8 2HD2 ASN 8 27.744 3.876 -6.898 62 H ILE 9 H ILE 9 26.862 -1.066 -7.450 63 HA ILE 9 HA ILE 9 28.580 -0.185 -5.223 64 HB ILE 9 HB ILE 9 29.463 -2.638 -5.462 65 HG12 ILE 9 2HG1 ILE 9 26.679 -2.820 -6.633 66 HG13 ILE 9 3HG1 ILE 9 28.188 -3.247 -7.433 67 HG21 ILE 9 1HG2 ILE 9 28.022 -1.418 -3.626 68 HG22 ILE 9 2HG2 ILE 9 26.767 -2.508 -4.212 69 HG23 ILE 9 3HG2 ILE 9 28.277 -3.162 -3.578 70 HD11 ILE 9 3HD1 ILE 9 26.966 -4.639 -5.062 71 HD12 ILE 9 1HD1 ILE 9 27.023 -5.233 -6.722 72 HD13 ILE 9 2HD1 ILE 9 28.515 -5.050 -5.798 73 H SER 10 H SER 10 30.623 0.369 -5.658 74 HA SER 10 HA SER 10 31.643 -0.173 -8.370 75 HB2 SER 10 2HB SER 10 31.137 2.269 -7.571 76 HB3 SER 10 3HB SER 10 32.655 2.098 -6.690 77 HG SER 10 HG SER 10 33.332 2.825 -8.596 78 H MET 11 H MET 11 33.361 -1.447 -8.488 79 HA MET 11 HA MET 11 34.796 -2.153 -6.062 80 HB2 MET 11 2HB MET 11 35.785 -3.928 -7.366 81 HB3 MET 11 3HB MET 11 34.052 -3.900 -7.660 82 HG2 MET 11 2HG MET 11 35.594 -2.288 -9.543 83 HG3 MET 11 3HG MET 11 35.986 -4.006 -9.576 84 HE1 MET 11 3HE MET 11 34.144 -3.430 -12.628 85 HE2 MET 11 1HE MET 11 33.425 -1.956 -11.980 86 HE3 MET 11 2HE MET 11 35.136 -2.291 -11.716 87 H ALA 12 H ALA 12 35.058 0.280 -8.210 88 HA ALA 12 HA ALA 12 37.588 1.116 -7.386 89 HB1 ALA 12 1HB ALA 12 38.023 0.516 -10.204 90 HB2 ALA 12 2HB ALA 12 39.088 0.286 -8.816 91 HB3 ALA 12 3HB ALA 12 37.864 -0.925 -9.199 92 H GLY 13 H GLY 13 38.466 2.513 -9.656 93 HA2 GLY 13 2HA GLY 13 36.441 4.590 -9.744 94 HA3 GLY 13 3HA GLY 13 38.079 4.699 -10.373 95 H SER 14 H SER 14 36.233 1.942 -11.275 96 HA SER 14 HA SER 14 35.963 3.056 -13.984 97 HB2 SER 14 2HB SER 14 36.143 0.185 -13.041 98 HB3 SER 14 3HB SER 14 35.855 0.665 -14.714 99 HG SER 14 HG SER 14 38.084 0.244 -14.229 100 H HIS 15 H HIS 15 34.078 2.396 -15.242 101 HA HIS 15 HA HIS 15 31.684 3.125 -14.352 102 HB2 HIS 15 2HB HIS 15 32.302 2.208 -16.665 103 HB3 HIS 15 3HB HIS 15 31.872 0.625 -16.025 104 HD1 HIS 15 HD1 HIS 15 29.302 0.899 -14.707 105 HD2 HIS 15 HD2 HIS 15 30.215 3.184 -18.054 106 HE1 HIS 15 HE1 HIS 15 27.086 1.610 -15.660 107 HA PRO 16 HA PRO 16 31.025 0.266 -10.938 108 HB2 PRO 16 2HB PRO 16 28.959 1.667 -9.871 109 HB3 PRO 16 3HB PRO 16 30.651 2.112 -9.621 110 HG2 PRO 16 2HG PRO 16 28.659 3.244 -11.547 111 HG3 PRO 16 3HG PRO 16 29.842 4.092 -10.533 112 HD2 PRO 16 2HD PRO 16 30.255 3.618 -13.167 113 HD3 PRO 16 3HD PRO 16 31.580 3.667 -11.987 114 H THR 17 H THR 17 28.913 -0.711 -10.041 115 HA THR 17 HA THR 17 27.155 -1.375 -12.313 116 HB THR 17 HB THR 17 27.719 -3.159 -9.943 117 HG1 THR 17 HG1 THR 17 28.996 -4.318 -11.616 118 HG21 THR 17 3HG2 THR 17 25.993 -4.307 -10.770 119 HG22 THR 17 1HG2 THR 17 26.985 -4.647 -12.187 120 HG23 THR 17 2HG2 THR 17 25.897 -3.258 -12.185 121 H THR 18 H THR 18 25.042 -0.995 -12.099 122 HA THR 18 HA THR 18 24.056 -0.150 -9.462 123 HB THR 18 HB THR 18 22.611 0.321 -12.059 124 HG1 THR 18 HG1 THR 18 24.830 1.689 -10.976 125 HG21 THR 18 3HG2 THR 18 21.130 1.094 -10.557 126 HG22 THR 18 1HG2 THR 18 22.219 2.472 -10.409 127 HG23 THR 18 2HG2 THR 18 22.326 1.137 -9.262 128 H ILE 19 H ILE 19 22.286 -1.085 -8.532 129 HA ILE 19 HA ILE 19 20.924 -3.228 -10.006 130 HB ILE 19 HB ILE 19 22.508 -3.497 -7.531 131 HG12 ILE 19 2HG1 ILE 19 21.650 -5.250 -9.823 132 HG13 ILE 19 3HG1 ILE 19 23.272 -4.718 -9.397 133 HG21 ILE 19 1HG2 ILE 19 21.046 -5.274 -6.636 134 HG22 ILE 19 2HG2 ILE 19 20.300 -3.678 -6.572 135 HG23 ILE 19 3HG2 ILE 19 19.818 -4.827 -7.820 136 HD11 ILE 19 3HD1 ILE 19 23.010 -7.054 -8.895 137 HD12 ILE 19 1HD1 ILE 19 23.181 -6.143 -7.395 138 HD13 ILE 19 2HD1 ILE 19 21.592 -6.715 -7.903 139 H CYS 20 H CYS 20 18.771 -3.421 -9.605 140 HA CYS 20 HA CYS 20 17.629 -1.615 -7.576 141 HB2 CYS 20 2HB CYS 20 15.629 -1.478 -9.124 142 HB3 CYS 20 3HB CYS 20 17.088 -0.677 -9.695 143 HG CYS 20 HG CYS 20 15.322 -3.058 -11.127 144 H VAL 21 H VAL 21 16.702 -2.699 -5.981 145 HA VAL 21 HA VAL 21 15.077 -5.053 -6.603 146 HB VAL 21 HB VAL 21 16.005 -6.261 -4.636 147 HG11 VAL 21 1HG1 VAL 21 17.773 -5.601 -6.971 148 HG12 VAL 21 2HG1 VAL 21 18.239 -6.796 -5.759 149 HG13 VAL 21 3HG1 VAL 21 16.773 -7.030 -6.712 150 HG21 VAL 21 3HG2 VAL 21 17.983 -3.991 -4.678 151 HG22 VAL 21 1HG2 VAL 21 16.950 -4.507 -3.345 152 HG23 VAL 21 2HG2 VAL 21 18.290 -5.527 -3.868 153 H VAL 22 H VAL 22 13.421 -5.475 -5.115 154 HA VAL 22 HA VAL 22 12.337 -3.204 -3.824 155 HB VAL 22 HB VAL 22 11.003 -5.116 -4.750 156 HG11 VAL 22 1HG1 VAL 22 11.049 -7.193 -3.889 157 HG12 VAL 22 2HG1 VAL 22 12.624 -6.701 -3.264 158 HG13 VAL 22 3HG1 VAL 22 11.198 -6.614 -2.230 159 HG21 VAL 22 3HG2 VAL 22 10.089 -3.397 -3.194 160 HG22 VAL 22 1HG2 VAL 22 9.257 -4.950 -3.114 161 HG23 VAL 22 2HG2 VAL 22 10.411 -4.501 -1.858 162 H MET 23 H MET 23 11.870 -2.917 -1.575 163 HA MET 23 HA MET 23 14.043 -3.165 0.121 164 HB2 MET 23 2HB MET 23 11.113 -2.749 0.668 165 HB3 MET 23 3HB MET 23 12.296 -2.793 1.969 166 HG2 MET 23 2HG MET 23 12.731 -0.964 -0.342 167 HG3 MET 23 3HG MET 23 11.566 -0.529 0.907 168 HE1 MET 23 3HE MET 23 15.791 -1.654 1.127 169 HE2 MET 23 1HE MET 23 14.876 -1.139 -0.290 170 HE3 MET 23 2HE MET 23 15.829 0.035 0.618 171 H ASP 24 H ASP 24 11.286 -5.316 -0.311 172 HA ASP 24 HA ASP 24 11.698 -7.003 1.877 173 HB2 ASP 24 2HB ASP 24 10.696 -7.943 -0.808 174 HB3 ASP 24 3HB ASP 24 10.273 -8.560 0.786 175 H ARG 25 H ARG 25 13.161 -6.984 -1.326 176 HA ARG 25 HA ARG 25 14.762 -9.337 -0.637 177 HB2 ARG 25 2HB ARG 25 14.404 -7.857 -3.247 178 HB3 ARG 25 3HB ARG 25 15.474 -9.235 -3.031 179 HG2 ARG 25 2HG ARG 25 12.631 -9.556 -2.248 180 HG3 ARG 25 3HG ARG 25 13.020 -9.496 -3.968 181 HD2 ARG 25 2HD ARG 25 13.123 -11.767 -3.460 182 HD3 ARG 25 3HD ARG 25 14.809 -11.254 -3.415 183 HE ARG 25 HE ARG 25 13.697 -11.048 -0.839 184 HH11 ARG 25 1HH1 ARG 25 14.704 -13.437 -3.162 185 HH12 ARG 25 2HH1 ARG 25 15.086 -14.630 -1.964 186 HH21 ARG 25 1HH2 ARG 25 14.196 -12.609 0.747 187 HH22 ARG 25 2HH2 ARG 25 14.796 -14.158 0.259 188 H PHE 26 H PHE 26 14.940 -5.961 -0.653 189 HA PHE 26 HA PHE 26 17.637 -5.536 -1.333 190 HB2 PHE 26 2HB PHE 26 15.865 -3.763 -1.114 191 HB3 PHE 26 3HB PHE 26 16.008 -3.920 0.634 192 HD1 PHE 26 HD1 PHE 26 17.754 -2.891 -2.437 193 HD2 PHE 26 HD2 PHE 26 17.819 -2.946 1.818 194 HE1 PHE 26 HE1 PHE 26 19.604 -1.270 -2.448 195 HE2 PHE 26 HE2 PHE 26 19.669 -1.324 1.814 196 HZ PHE 26 HZ PHE 26 20.565 -0.484 -0.321 197 H LEU 27 H LEU 27 16.066 -6.164 1.781 198 HA LEU 27 HA LEU 27 18.297 -5.868 3.430 199 HB2 LEU 27 2HB LEU 27 16.150 -6.018 4.418 200 HB3 LEU 27 3HB LEU 27 15.838 -7.581 3.667 201 HG LEU 27 HG LEU 27 18.144 -7.556 5.477 202 HD11 LEU 27 1HD1 LEU 27 15.369 -7.051 6.539 203 HD12 LEU 27 2HD1 LEU 27 16.776 -6.003 6.714 204 HD13 LEU 27 3HD1 LEU 27 16.745 -7.577 7.510 205 HD21 LEU 27 3HD2 LEU 27 16.483 -9.498 6.325 206 HD22 LEU 27 1HD2 LEU 27 17.612 -9.690 4.983 207 HD23 LEU 27 2HD2 LEU 27 15.920 -9.310 4.663 208 H GLU 28 H GLU 28 17.025 -8.796 1.858 209 HA GLU 28 HA GLU 28 19.094 -10.493 2.811 210 HB2 GLU 28 2HB GLU 28 16.713 -11.019 1.776 211 HB3 GLU 28 3HB GLU 28 17.635 -11.113 0.282 212 HG2 GLU 28 2HG GLU 28 17.403 -13.306 1.236 213 HG3 GLU 28 3HG GLU 28 19.091 -12.804 1.305 214 H SER 29 H SER 29 18.567 -8.774 -0.243 215 HA SER 29 HA SER 29 20.749 -9.780 -1.660 216 HB2 SER 29 2HB SER 29 19.265 -7.161 -1.811 217 HB3 SER 29 3HB SER 29 20.608 -7.526 -2.893 218 HG SER 29 HG SER 29 18.074 -8.306 -3.090 219 H PHE 30 H PHE 30 20.528 -7.068 0.591 220 HA PHE 30 HA PHE 30 23.165 -6.115 0.191 221 HB2 PHE 30 2HB PHE 30 22.263 -4.450 1.383 222 HB3 PHE 30 3HB PHE 30 20.912 -5.472 1.863 223 HD1 PHE 30 HD2 PHE 30 24.459 -4.741 2.710 224 HD2 PHE 30 HD1 PHE 30 20.657 -6.075 4.080 225 HE1 PHE 30 HE2 PHE 30 25.302 -4.760 5.021 226 HE2 PHE 30 HE1 PHE 30 21.494 -6.095 6.393 227 HZ PHE 30 HZ PHE 30 23.820 -5.438 6.866 228 H SER 31 H SER 31 21.736 -8.283 2.608 229 HA SER 31 HA SER 31 23.975 -8.681 4.204 230 HB2 SER 31 2HB SER 31 22.881 -10.621 5.050 231 HB3 SER 31 3HB SER 31 21.598 -9.490 4.620 232 HG SER 31 HG SER 31 22.418 -11.835 3.291 233 H GLU 32 H GLU 32 22.937 -10.474 1.318 234 HA GLU 32 HA GLU 32 25.196 -12.228 1.355 235 HB2 GLU 32 2HB GLU 32 22.876 -12.608 0.278 236 HB3 GLU 32 3HB GLU 32 23.508 -11.672 -1.069 237 HG2 GLU 32 2HG GLU 32 23.902 -13.865 -1.696 238 HG3 GLU 32 3HG GLU 32 25.457 -13.334 -1.058 239 H LEU 33 H LEU 33 24.332 -9.297 -0.425 240 HA LEU 33 HA LEU 33 26.438 -9.230 -2.237 241 HB2 LEU 33 2HB LEU 33 24.536 -7.719 -2.345 242 HB3 LEU 33 3HB LEU 33 25.059 -6.931 -0.858 243 HG LEU 33 HG LEU 33 25.508 -5.753 -3.095 244 HD11 LEU 33 1HD1 LEU 33 26.569 -5.416 -0.724 245 HD12 LEU 33 2HD1 LEU 33 27.242 -4.601 -2.135 246 HD13 LEU 33 3HD1 LEU 33 28.012 -6.059 -1.509 247 HD21 LEU 33 3HD2 LEU 33 27.682 -7.843 -3.138 248 HD22 LEU 33 1HD2 LEU 33 27.647 -6.399 -4.149 249 HD23 LEU 33 2HD2 LEU 33 26.396 -7.629 -4.327 250 H TYR 34 H TYR 34 26.296 -8.110 1.111 251 HA TYR 34 HA TYR 34 28.834 -6.873 1.157 252 HB2 TYR 34 2HB TYR 34 27.290 -6.316 2.884 253 HB3 TYR 34 3HB TYR 34 27.085 -8.003 3.341 254 HD1 TYR 34 HD2 TYR 34 29.347 -5.103 3.492 255 HD2 TYR 34 HD1 TYR 34 28.655 -9.095 4.792 256 HE1 TYR 34 HE2 TYR 34 31.114 -4.852 5.184 257 HE2 TYR 34 HE1 TYR 34 30.419 -8.855 6.489 258 HH TYR 34 HH TYR 34 32.675 -7.092 6.558 259 H ASP 35 H ASP 35 27.781 -10.176 1.592 260 HA ASP 35 HA ASP 35 30.244 -11.130 2.686 261 HB2 ASP 35 2HB ASP 35 27.649 -12.182 2.191 262 HB3 ASP 35 3HB ASP 35 28.810 -13.229 1.378 263 H ILE 36 H ILE 36 28.953 -10.697 -0.526 264 HA ILE 36 HA ILE 36 31.182 -12.148 -1.729 265 HB ILE 36 HB ILE 36 29.034 -12.561 -2.736 266 HG12 ILE 36 2HG1 ILE 36 31.274 -11.931 -4.120 267 HG13 ILE 36 3HG1 ILE 36 29.794 -12.513 -4.875 268 HG21 ILE 36 1HG2 ILE 36 27.820 -10.691 -3.889 269 HG22 ILE 36 2HG2 ILE 36 27.801 -10.624 -2.128 270 HG23 ILE 36 3HG2 ILE 36 28.884 -9.571 -3.038 271 HD11 ILE 36 3HD1 ILE 36 30.347 -9.593 -4.483 272 HD12 ILE 36 1HD1 ILE 36 30.895 -10.481 -5.904 273 HD13 ILE 36 2HD1 ILE 36 29.171 -10.357 -5.552 274 H ILE 37 H ILE 37 30.279 -8.964 -0.894 275 HA ILE 37 HA ILE 37 31.571 -7.460 -2.871 276 HB ILE 37 HB ILE 37 30.033 -6.636 -0.990 277 HG12 ILE 37 2HG1 ILE 37 31.260 -4.404 -0.915 278 HG13 ILE 37 3HG1 ILE 37 32.546 -5.188 -1.825 279 HG21 ILE 37 1HG2 ILE 37 32.365 -5.880 0.607 280 HG22 ILE 37 2HG2 ILE 37 30.770 -6.431 1.116 281 HG23 ILE 37 3HG2 ILE 37 31.995 -7.604 0.636 282 HD11 ILE 37 3HD1 ILE 37 30.635 -5.808 -3.469 283 HD12 ILE 37 1HD1 ILE 37 29.781 -4.484 -2.678 284 HD13 ILE 37 2HD1 ILE 37 31.321 -4.183 -3.485 285 H ASP 38 H ASP 38 32.852 -9.458 -0.423 286 HA ASP 38 HA ASP 38 35.336 -8.155 -0.001 287 HB2 ASP 38 2HB ASP 38 34.646 -9.758 1.621 288 HB3 ASP 38 3HB ASP 38 34.432 -11.006 0.396 289 H GLU 39 H GLU 39 34.087 -10.036 -2.578 290 HA GLU 39 HA GLU 39 36.615 -10.950 -3.587 291 HB2 GLU 39 2HB GLU 39 33.782 -11.054 -4.475 292 HB3 GLU 39 3HB GLU 39 35.013 -11.191 -5.722 293 HG2 GLU 39 2HG GLU 39 35.013 -12.912 -3.264 294 HG3 GLU 39 3HG GLU 39 34.139 -13.347 -4.732 295 H ASN 40 H ASN 40 37.032 -10.409 -6.036 296 HA ASN 40 HA ASN 40 36.608 -7.577 -6.599 297 HB2 ASN 40 2HB ASN 40 38.771 -7.869 -5.295 298 HB3 ASN 40 3HB ASN 40 39.386 -8.756 -6.687 299 HD21 ASN 40 1HD2 ASN 40 40.719 -7.525 -7.786 300 HD22 ASN 40 2HD2 ASN 40 40.488 -5.856 -8.167 301 H ASP 41 H ASP 41 36.081 -10.449 -7.662 302 HA ASP 41 HA ASP 41 37.233 -10.204 -10.335 303 HB2 ASP 41 2HB ASP 41 36.004 -12.390 -8.751 304 HB3 ASP 41 3HB ASP 41 35.739 -12.442 -10.491 305 H THR 42 H THR 42 36.092 -9.716 -12.133 306 HA THR 42 HA THR 42 33.575 -8.415 -11.835 307 HB THR 42 HB THR 42 33.640 -8.100 -14.261 308 HG1 THR 42 HG1 THR 42 36.035 -9.639 -14.252 309 HG21 THR 42 3HG2 THR 42 35.167 -6.830 -12.563 310 HG22 THR 42 1HG2 THR 42 35.415 -6.615 -14.295 311 HG23 THR 42 2HG2 THR 42 36.470 -7.692 -13.381 312 H ASP 43 H ASP 43 34.587 -11.605 -12.825 313 HA ASP 43 HA ASP 43 32.192 -12.404 -14.097 314 HB2 ASP 43 2HB ASP 43 34.384 -13.582 -14.309 315 HB3 ASP 43 3HB ASP 43 34.188 -14.161 -12.657 316 H VAL 44 H VAL 44 33.370 -12.825 -10.771 317 HA VAL 44 HA VAL 44 31.056 -14.200 -9.859 318 HB VAL 44 HB VAL 44 33.180 -14.401 -8.678 319 HG11 VAL 44 1HG1 VAL 44 33.942 -12.075 -9.077 320 HG12 VAL 44 2HG1 VAL 44 32.801 -11.527 -7.847 321 HG13 VAL 44 3HG1 VAL 44 34.132 -12.596 -7.403 322 HG21 VAL 44 3HG2 VAL 44 30.655 -13.827 -7.470 323 HG22 VAL 44 1HG2 VAL 44 31.920 -14.931 -6.929 324 HG23 VAL 44 2HG2 VAL 44 31.946 -13.242 -6.420 325 H MET 45 H MET 45 32.047 -10.814 -9.865 326 HA MET 45 HA MET 45 29.888 -9.876 -8.272 327 HB2 MET 45 2HB MET 45 32.126 -8.728 -9.740 328 HB3 MET 45 3HB MET 45 30.676 -7.739 -9.860 329 HG2 MET 45 2HG MET 45 30.609 -8.143 -7.255 330 HG3 MET 45 3HG MET 45 32.336 -8.398 -7.493 331 HE1 MET 45 3HE MET 45 29.430 -6.246 -7.249 332 HE2 MET 45 1HE MET 45 30.003 -4.582 -7.355 333 HE3 MET 45 2HE MET 45 29.614 -5.476 -8.825 334 H MET 46 H MET 46 30.445 -10.050 -11.771 335 HA MET 46 HA MET 46 28.012 -8.802 -12.509 336 HB2 MET 46 2HB MET 46 28.531 -9.411 -14.726 337 HB3 MET 46 3HB MET 46 30.087 -9.146 -13.950 338 HG2 MET 46 2HG MET 46 30.395 -11.533 -13.686 339 HG3 MET 46 3HG MET 46 28.804 -11.833 -14.382 340 HE1 MET 46 3HE MET 46 31.575 -9.282 -15.305 341 HE2 MET 46 1HE MET 46 32.552 -10.743 -15.160 342 HE3 MET 46 2HE MET 46 32.315 -9.995 -16.739 343 H ASP 47 H ASP 47 28.939 -12.147 -11.927 344 HA ASP 47 HA ASP 47 26.528 -13.305 -12.889 345 HB2 ASP 47 2HB ASP 47 28.870 -14.239 -11.306 346 HB3 ASP 47 3HB ASP 47 27.395 -15.197 -11.215 347 H PHE 48 H PHE 48 27.643 -12.284 -9.692 348 HA PHE 48 HA PHE 48 25.328 -13.222 -8.315 349 HB2 PHE 48 2HB PHE 48 27.341 -12.966 -7.050 350 HB3 PHE 48 3HB PHE 48 27.517 -11.288 -7.551 351 HD1 PHE 48 HD2 PHE 48 26.065 -9.552 -6.608 352 HD2 PHE 48 HD1 PHE 48 25.903 -13.583 -5.251 353 HE1 PHE 48 HE2 PHE 48 24.851 -8.822 -4.596 354 HE2 PHE 48 HE1 PHE 48 24.688 -12.860 -3.237 355 HZ PHE 48 HZ PHE 48 24.159 -10.477 -2.908 356 H ILE 49 H ILE 49 26.378 -10.049 -9.501 357 HA ILE 49 HA ILE 49 24.214 -8.558 -8.519 358 HB ILE 49 HB ILE 49 26.301 -8.147 -10.567 359 HG12 ILE 49 2HG1 ILE 49 26.398 -5.928 -9.378 360 HG13 ILE 49 3HG1 ILE 49 25.099 -6.499 -8.336 361 HG21 ILE 49 1HG2 ILE 49 24.506 -7.534 -11.968 362 HG22 ILE 49 2HG2 ILE 49 23.660 -6.716 -10.656 363 HG23 ILE 49 3HG2 ILE 49 25.140 -6.022 -11.317 364 HD11 ILE 49 3HD1 ILE 49 26.904 -8.524 -8.131 365 HD12 ILE 49 1HD1 ILE 49 27.951 -7.115 -8.300 366 HD13 ILE 49 2HD1 ILE 49 26.755 -7.175 -7.005 367 H SER 50 H SER 50 24.708 -10.068 -11.704 368 HA SER 50 HA SER 50 22.226 -9.279 -12.788 369 HB2 SER 50 2HB SER 50 24.332 -10.216 -13.981 370 HB3 SER 50 3HB SER 50 23.644 -11.799 -13.619 371 HG SER 50 HG SER 50 23.032 -10.917 -15.693 372 H ARG 51 H ARG 51 23.242 -12.121 -10.970 373 HA ARG 51 HA ARG 51 20.798 -13.550 -11.307 374 HB2 ARG 51 2HB ARG 51 22.963 -14.632 -10.746 375 HB3 ARG 51 3HB ARG 51 22.901 -13.873 -9.160 376 HG2 ARG 51 2HG ARG 51 22.182 -16.167 -9.006 377 HG3 ARG 51 3HG ARG 51 20.821 -15.091 -8.679 378 HD2 ARG 51 2HD ARG 51 19.791 -15.570 -10.697 379 HD3 ARG 51 3HD ARG 51 21.292 -16.107 -11.450 380 HE ARG 51 HE ARG 51 20.714 -17.862 -9.365 381 HH11 ARG 51 1HH1 ARG 51 19.375 -16.899 -12.431 382 HH12 ARG 51 2HH1 ARG 51 18.635 -18.436 -12.738 383 HH21 ARG 51 1HH2 ARG 51 19.745 -19.889 -9.758 384 HH22 ARG 51 2HH2 ARG 51 18.846 -20.136 -11.216 385 H PHE 52 H PHE 52 21.968 -11.174 -9.039 386 HA PHE 52 HA PHE 52 19.690 -11.570 -7.266 387 HB2 PHE 52 2HB PHE 52 22.277 -10.124 -7.108 388 HB3 PHE 52 3HB PHE 52 20.931 -9.432 -6.209 389 HD1 PHE 52 HD1 PHE 52 21.897 -12.973 -6.845 390 HD2 PHE 52 HD2 PHE 52 21.282 -9.887 -3.979 391 HE1 PHE 52 HE1 PHE 52 22.287 -14.587 -5.029 392 HE2 PHE 52 HE2 PHE 52 21.671 -11.496 -2.158 393 HZ PHE 52 HZ PHE 52 22.175 -13.849 -2.682 394 H ALA 53 H ALA 53 20.465 -9.786 -10.008 395 HA ALA 53 HA ALA 53 18.678 -7.568 -9.354 396 HB1 ALA 53 1HB ALA 53 20.534 -6.702 -10.411 397 HB2 ALA 53 2HB ALA 53 20.678 -8.072 -11.513 398 HB3 ALA 53 3HB ALA 53 19.408 -6.873 -11.758 399 H ARG 54 H ARG 54 16.851 -7.053 -10.607 400 HA ARG 54 HA ARG 54 15.846 -9.228 -12.318 401 HB2 ARG 54 2HB ARG 54 14.266 -7.633 -10.291 402 HB3 ARG 54 3HB ARG 54 13.582 -8.795 -11.420 403 HG2 ARG 54 2HG ARG 54 15.728 -9.617 -9.507 404 HG3 ARG 54 3HG ARG 54 14.042 -9.524 -8.994 405 HD2 ARG 54 2HD ARG 54 13.408 -11.078 -10.763 406 HD3 ARG 54 3HD ARG 54 15.081 -11.146 -11.315 407 HE ARG 54 HE ARG 54 15.012 -11.867 -8.613 408 HH11 ARG 54 1HH1 ARG 54 13.949 -13.060 -11.706 409 HH12 ARG 54 2HH1 ARG 54 14.036 -14.727 -11.239 410 HH21 ARG 54 1HH2 ARG 54 15.130 -14.057 -7.986 411 HH22 ARG 54 2HH2 ARG 54 14.707 -15.292 -9.123 412 H THR 55 H THR 55 15.196 -8.603 -14.272 413 HA THR 55 HA THR 55 15.341 -5.840 -15.023 414 HB THR 55 HB THR 55 14.834 -6.583 -17.274 415 HG1 THR 55 HG1 THR 55 14.383 -9.167 -16.157 416 HG21 THR 55 3HG2 THR 55 16.503 -8.831 -16.888 417 HG22 THR 55 1HG2 THR 55 16.962 -7.633 -15.679 418 HG23 THR 55 2HG2 THR 55 16.969 -7.207 -17.390 419 H ASP 56 H ASP 56 13.555 -5.472 -13.279 420 HA ASP 56 HA ASP 56 10.963 -5.453 -14.680 421 HB2 ASP 56 2HB ASP 56 11.509 -6.824 -12.338 422 HB3 ASP 56 3HB ASP 56 10.769 -5.330 -11.768 423 H GLU 57 H GLU 57 9.469 -3.833 -13.240 424 HA GLU 57 HA GLU 57 11.011 -1.385 -12.750 425 HB2 GLU 57 2HB GLU 57 9.554 -0.044 -14.082 426 HB3 GLU 57 3HB GLU 57 10.079 -1.391 -15.083 427 HG2 GLU 57 2HG GLU 57 7.870 -2.499 -14.260 428 HG3 GLU 57 3HG GLU 57 7.398 -0.838 -13.906 429 H ILE 58 H ILE 58 8.990 0.349 -12.202 430 HA ILE 58 HA ILE 58 7.717 -0.895 -9.857 431 HB ILE 58 HB ILE 58 7.493 1.720 -9.305 432 HG12 ILE 58 2HG1 ILE 58 9.684 2.792 -9.903 433 HG13 ILE 58 3HG1 ILE 58 9.985 1.446 -10.996 434 HG21 ILE 58 1HG2 ILE 58 8.712 1.080 -7.561 435 HG22 ILE 58 2HG2 ILE 58 9.007 -0.441 -8.402 436 HG23 ILE 58 3HG2 ILE 58 10.150 0.892 -8.565 437 HD11 ILE 58 3HD1 ILE 58 8.958 3.702 -11.849 438 HD12 ILE 58 1HD1 ILE 58 8.436 2.153 -12.510 439 HD13 ILE 58 2HD1 ILE 58 7.454 2.969 -11.293 440 H MET 59 H MET 59 5.561 -0.906 -9.679 441 HA MET 59 HA MET 59 3.962 -0.015 -11.884 442 HB2 MET 59 2HB MET 59 3.620 -1.702 -9.536 443 HB3 MET 59 3HB MET 59 2.217 -0.683 -9.828 444 HG2 MET 59 2HG MET 59 2.388 -1.524 -12.256 445 HG3 MET 59 3HG MET 59 3.411 -2.790 -11.579 446 HE1 MET 59 3HE MET 59 2.964 -4.409 -10.231 447 HE2 MET 59 1HE MET 59 1.630 -4.499 -9.081 448 HE3 MET 59 2HE MET 59 1.526 -5.353 -10.621 449 HA PRO 60 HA PRO 60 2.581 3.915 -10.508 450 HB2 PRO 60 2HB PRO 60 -0.070 3.872 -11.092 451 HB3 PRO 60 3HB PRO 60 1.186 3.973 -12.332 452 HG2 PRO 60 2HG PRO 60 -0.360 1.588 -11.391 453 HG3 PRO 60 3HG PRO 60 0.063 2.065 -13.045 454 HD2 PRO 60 2HD PRO 60 1.426 0.162 -11.684 455 HD3 PRO 60 3HD PRO 60 2.203 1.226 -12.874 456 H GLU 61 H GLU 61 1.229 1.079 -9.107 457 HA GLU 61 HA GLU 61 -0.323 2.488 -7.113 458 HB2 GLU 61 2HB GLU 61 -1.027 0.374 -6.354 459 HB3 GLU 61 3HB GLU 61 -0.894 0.203 -8.099 460 HG2 GLU 61 2HG GLU 61 1.409 -0.753 -7.701 461 HG3 GLU 61 3HG GLU 61 0.983 -0.819 -5.991 462 H ASP 62 H ASP 62 2.902 1.493 -7.515 463 HA ASP 62 HA ASP 62 3.427 2.004 -4.663 464 HB2 ASP 62 2HB ASP 62 5.491 0.360 -5.780 465 HB3 ASP 62 3HB ASP 62 4.419 0.016 -4.425 466 H LYS 63 H LYS 63 6.126 2.082 -4.643 467 HA LYS 63 HA LYS 63 7.119 3.739 -6.791 468 HB2 LYS 63 2HB LYS 63 7.797 5.459 -4.867 469 HB3 LYS 63 3HB LYS 63 6.303 5.613 -5.782 470 HG2 LYS 63 2HG LYS 63 4.998 5.041 -4.018 471 HG3 LYS 63 3HG LYS 63 6.215 3.968 -3.323 472 HD2 LYS 63 2HD LYS 63 6.067 5.795 -1.842 473 HD3 LYS 63 3HD LYS 63 7.539 6.068 -2.778 474 HE2 LYS 63 2HE LYS 63 6.429 7.674 -4.168 475 HE3 LYS 63 3HE LYS 63 4.868 7.296 -3.443 476 HZ1 LYS 63 3HZ LYS 63 7.166 8.472 -1.975 477 HZ2 LYS 63 1HZ LYS 63 5.611 8.203 -1.364 478 HZ3 LYS 63 2HZ LYS 63 5.855 9.355 -2.578 479 H THR 64 H THR 64 9.356 4.764 -5.791 480 HA THR 64 HA THR 64 10.796 2.411 -4.762 481 HB THR 64 HB THR 64 11.458 4.435 -6.797 482 HG1 THR 64 HG1 THR 64 12.671 2.624 -7.562 483 HG21 THR 64 3HG2 THR 64 13.918 4.179 -6.340 484 HG22 THR 64 1HG2 THR 64 13.488 3.540 -4.754 485 HG23 THR 64 2HG2 THR 64 13.050 5.193 -5.187 486 H VAL 65 H VAL 65 11.494 2.516 -2.740 487 HA VAL 65 HA VAL 65 11.202 4.661 -1.024 488 HB VAL 65 HB VAL 65 11.548 2.581 -0.003 489 HG11 VAL 65 1HG1 VAL 65 13.810 1.385 -0.334 490 HG12 VAL 65 2HG1 VAL 65 12.594 1.259 -1.605 491 HG13 VAL 65 3HG1 VAL 65 13.947 2.376 -1.786 492 HG21 VAL 65 3HG2 VAL 65 13.025 4.721 0.759 493 HG22 VAL 65 1HG2 VAL 65 12.922 3.211 1.665 494 HG23 VAL 65 2HG2 VAL 65 14.281 3.497 0.578 495 H GLY 66 H GLY 66 13.975 3.787 -3.030 496 HA2 GLY 66 2HA GLY 66 14.963 6.234 -3.578 497 HA3 GLY 66 3HA GLY 66 15.597 5.938 -1.966 498 H PHE 67 H PHE 67 17.616 6.244 -3.346 499 HA PHE 67 HA PHE 67 18.503 3.592 -4.263 500 HB2 PHE 67 2HB PHE 67 19.806 4.605 -6.030 501 HB3 PHE 67 3HB PHE 67 18.134 5.134 -6.183 502 HD1 PHE 67 HD2 PHE 67 17.512 7.425 -5.339 503 HD2 PHE 67 HD1 PHE 67 21.546 6.150 -5.799 504 HE1 PHE 67 HE2 PHE 67 18.251 9.772 -5.326 505 HE2 PHE 67 HE1 PHE 67 22.292 8.494 -5.786 506 HZ PHE 67 HZ PHE 67 20.644 10.309 -5.549 507 H VAL 68 H VAL 68 20.629 3.024 -3.795 508 HA VAL 68 HA VAL 68 22.000 4.800 -1.880 509 HB VAL 68 HB VAL 68 22.033 1.779 -1.947 510 HG11 VAL 68 1HG1 VAL 68 23.972 1.989 -0.869 511 HG12 VAL 68 2HG1 VAL 68 23.773 3.734 -0.696 512 HG13 VAL 68 3HG1 VAL 68 23.042 2.642 0.480 513 HG21 VAL 68 3HG2 VAL 68 21.054 2.455 0.481 514 HG22 VAL 68 1HG2 VAL 68 20.391 3.753 -0.512 515 HG23 VAL 68 2HG2 VAL 68 20.050 2.071 -0.917 516 H VAL 69 H VAL 69 24.012 5.408 -2.359 517 HA VAL 69 HA VAL 69 25.323 4.143 -4.667 518 HB VAL 69 HB VAL 69 25.958 6.825 -3.434 519 HG11 VAL 69 1HG1 VAL 69 27.335 7.218 -5.292 520 HG12 VAL 69 2HG1 VAL 69 27.709 5.565 -4.801 521 HG13 VAL 69 3HG1 VAL 69 26.660 5.858 -6.189 522 HG21 VAL 69 3HG2 VAL 69 24.849 7.405 -5.833 523 HG22 VAL 69 1HG2 VAL 69 23.890 6.003 -5.357 524 HG23 VAL 69 2HG2 VAL 69 23.966 7.418 -4.306 525 H VAL 70 H VAL 70 26.939 2.802 -4.253 526 HA VAL 70 HA VAL 70 28.598 3.283 -1.864 527 HB VAL 70 HB VAL 70 28.051 0.545 -2.997 528 HG11 VAL 70 1HG1 VAL 70 29.746 0.053 -1.631 529 HG12 VAL 70 2HG1 VAL 70 29.690 1.639 -0.859 530 HG13 VAL 70 3HG1 VAL 70 28.620 0.350 -0.307 531 HG21 VAL 70 3HG2 VAL 70 26.448 2.182 -1.105 532 HG22 VAL 70 1HG2 VAL 70 25.926 0.987 -2.292 533 HG23 VAL 70 2HG2 VAL 70 26.629 0.462 -0.763 534 H ASN 71 H ASN 71 30.595 3.822 -2.418 535 HA ASN 71 HA ASN 71 31.754 2.625 -4.849 536 HB2 ASN 71 2HB ASN 71 32.402 5.342 -3.686 537 HB3 ASN 71 3HB ASN 71 33.037 4.662 -5.181 538 HD21 ASN 71 1HD2 ASN 71 30.446 6.310 -3.679 539 HD22 ASN 71 2HD2 ASN 71 29.466 6.521 -5.086 540 H ALA 72 H ALA 72 33.167 1.116 -4.259 541 HA ALA 72 HA ALA 72 34.450 1.039 -1.730 542 HB1 ALA 72 1HB ALA 72 33.911 -0.945 -3.163 543 HB2 ALA 72 2HB ALA 72 35.264 -0.484 -4.197 544 HB3 ALA 72 3HB ALA 72 35.551 -0.921 -2.512 545 H ASP 73 H ASP 73 35.433 2.141 -4.925 546 HA ASP 73 HA ASP 73 38.176 2.447 -4.442 547 HB2 ASP 73 2HB ASP 73 36.547 2.824 -6.598 548 HB3 ASP 73 3HB ASP 73 36.943 4.487 -6.173 549 H LYS 74 H LYS 74 35.442 4.553 -3.763 550 HA LYS 74 HA LYS 74 37.212 6.630 -2.726 551 HB2 LYS 74 2HB LYS 74 34.226 6.509 -3.153 552 HB3 LYS 74 3HB LYS 74 35.025 7.858 -2.355 553 HG2 LYS 74 2HG LYS 74 36.165 8.479 -4.315 554 HG3 LYS 74 3HG LYS 74 35.790 6.950 -5.113 555 HD2 LYS 74 2HD LYS 74 33.507 7.536 -5.360 556 HD3 LYS 74 3HD LYS 74 33.667 8.907 -4.260 557 HE2 LYS 74 2HE LYS 74 35.388 9.781 -5.981 558 HE3 LYS 74 3HE LYS 74 34.646 8.616 -7.078 559 HZ1 LYS 74 3HZ LYS 74 33.310 10.364 -7.504 560 HZ2 LYS 74 1HZ LYS 74 33.573 11.098 -6.002 561 HZ3 LYS 74 2HZ LYS 74 32.482 9.813 -6.136 562 H LYS 75 H LYS 75 35.562 3.907 -1.623 563 HA LYS 75 HA LYS 75 35.163 3.037 0.440 564 HB2 LYS 75 2HB LYS 75 37.262 5.096 1.029 565 HB3 LYS 75 3HB LYS 75 36.502 4.217 2.350 566 HG2 LYS 75 2HG LYS 75 37.338 2.154 1.602 567 HG3 LYS 75 3HG LYS 75 37.770 2.811 0.022 568 HD2 LYS 75 2HD LYS 75 39.773 2.537 1.331 569 HD3 LYS 75 3HD LYS 75 39.446 4.261 1.138 570 HE2 LYS 75 2HE LYS 75 38.440 4.313 3.372 571 HE3 LYS 75 3HE LYS 75 38.775 2.593 3.561 572 HZ1 LYS 75 3HZ LYS 75 40.855 4.667 3.130 573 HZ2 LYS 75 1HZ LYS 75 41.114 3.029 3.465 574 HZ3 LYS 75 2HZ LYS 75 40.433 4.035 4.641 575 H LEU 76 H LEU 76 33.263 4.831 -0.515 576 HA LEU 76 HA LEU 76 32.189 5.841 2.013 577 HB2 LEU 76 2HB LEU 76 31.285 7.791 0.476 578 HB3 LEU 76 3HB LEU 76 32.839 7.893 1.301 579 HG LEU 76 HG LEU 76 33.892 7.089 -0.853 580 HD11 LEU 76 1HD1 LEU 76 31.999 6.134 -1.954 581 HD12 LEU 76 2HD1 LEU 76 32.535 7.524 -2.897 582 HD13 LEU 76 3HD1 LEU 76 31.112 7.656 -1.863 583 HD21 LEU 76 3HD2 LEU 76 34.173 9.355 -0.315 584 HD22 LEU 76 1HD2 LEU 76 32.476 9.727 -0.621 585 HD23 LEU 76 2HD2 LEU 76 33.554 9.356 -1.967 586 H MET 77 H MET 77 29.899 6.009 2.068 587 HA MET 77 HA MET 77 28.431 4.938 -0.217 588 HB2 MET 77 2HB MET 77 28.807 2.922 0.950 589 HB3 MET 77 3HB MET 77 28.541 3.680 2.514 590 HG2 MET 77 2HG MET 77 26.209 3.809 2.162 591 HG3 MET 77 3HG MET 77 26.375 3.400 0.456 592 HE1 MET 77 3HE MET 77 24.406 0.988 0.939 593 HE2 MET 77 1HE MET 77 24.469 0.673 2.673 594 HE3 MET 77 2HE MET 77 24.343 2.330 2.082 595 H SER 78 H SER 78 26.620 6.052 -0.547 596 HA SER 78 HA SER 78 25.467 7.544 1.718 597 HB2 SER 78 2HB SER 78 25.786 9.442 0.573 598 HB3 SER 78 3HB SER 78 26.494 8.536 -0.764 599 HG SER 78 HG SER 78 24.509 9.845 -1.169 600 H VAL 79 H VAL 79 23.298 7.439 2.009 601 HA VAL 79 HA VAL 79 21.767 5.835 0.064 602 HB VAL 79 HB VAL 79 21.289 5.985 3.043 603 HG11 VAL 79 1HG1 VAL 79 19.631 5.174 0.903 604 HG12 VAL 79 2HG1 VAL 79 20.121 3.718 1.772 605 HG13 VAL 79 3HG1 VAL 79 19.326 5.036 2.634 606 HG21 VAL 79 3HG2 VAL 79 23.116 4.370 1.481 607 HG22 VAL 79 1HG2 VAL 79 22.973 4.539 3.231 608 HG23 VAL 79 2HG2 VAL 79 21.961 3.378 2.372 609 H SER 80 H SER 80 20.233 6.939 -0.940 610 HA SER 80 HA SER 80 19.023 9.246 0.439 611 HB2 SER 80 2HB SER 80 19.317 8.866 -2.549 612 HB3 SER 80 3HB SER 80 18.714 10.301 -1.721 613 HG SER 80 HG SER 80 21.279 9.518 -2.199 614 H PHE 81 H PHE 81 17.002 8.886 1.037 615 HA PHE 81 HA PHE 81 15.207 7.457 -0.781 616 HB2 PHE 81 2HB PHE 81 14.217 6.288 1.251 617 HB3 PHE 81 3HB PHE 81 15.792 5.711 0.715 618 HD1 PHE 81 HD2 PHE 81 14.328 8.206 3.070 619 HD2 PHE 81 HD1 PHE 81 17.416 5.380 2.302 620 HE1 PHE 81 HE2 PHE 81 15.225 8.577 5.331 621 HE2 PHE 81 HE1 PHE 81 18.318 5.746 4.561 622 HZ PHE 81 HZ PHE 81 17.222 7.346 6.079 623 H SER 82 H SER 82 12.984 7.952 -0.504 624 HA SER 82 HA SER 82 12.562 10.596 0.653 625 HB2 SER 82 2HB SER 82 10.913 8.891 -1.220 626 HB3 SER 82 3HB SER 82 10.338 10.420 -0.556 627 HG SER 82 HG SER 82 11.713 11.494 -1.784 628 H ASP 83 H ASP 83 10.288 10.927 1.618 629 HA ASP 83 HA ASP 83 10.030 9.932 4.072 630 HB2 ASP 83 2HB ASP 83 7.630 10.274 2.265 631 HB3 ASP 83 3HB ASP 83 7.656 10.404 4.021 632 H ILE 84 H ILE 84 10.517 7.847 4.531 633 HA ILE 84 HA ILE 84 8.700 5.798 3.442 634 HB ILE 84 HB ILE 84 10.612 4.171 3.786 635 HG12 ILE 84 2HG1 ILE 84 12.430 6.541 3.544 636 HG13 ILE 84 3HG1 ILE 84 11.878 6.033 5.136 637 HG21 ILE 84 1HG2 ILE 84 9.929 5.795 1.628 638 HG22 ILE 84 2HG2 ILE 84 11.690 5.837 1.693 639 HG23 ILE 84 3HG2 ILE 84 10.849 4.291 1.578 640 HD11 ILE 84 3HD1 ILE 84 12.808 3.760 3.676 641 HD12 ILE 84 1HD1 ILE 84 14.031 5.029 3.654 642 HD13 ILE 84 2HD1 ILE 84 13.403 4.437 5.192 643 H ASP 85 H ASP 85 8.334 3.954 4.842 644 HA ASP 85 HA ASP 85 7.696 4.684 7.473 645 HB2 ASP 85 2HB ASP 85 8.066 1.870 6.431 646 HB3 ASP 85 3HB ASP 85 7.091 2.369 7.811 647 H GLU 86 H GLU 86 8.523 3.834 9.479 648 HA GLU 86 HA GLU 86 11.360 4.019 9.641 649 HB2 GLU 86 2HB GLU 86 11.065 3.690 12.027 650 HB3 GLU 86 3HB GLU 86 9.858 4.820 11.428 651 HG2 GLU 86 2HG GLU 86 8.433 2.592 11.224 652 HG3 GLU 86 3HG GLU 86 9.531 2.082 12.505 653 H ASN 87 H ASN 87 9.107 1.400 9.386 654 HA ASN 87 HA ASN 87 10.608 -0.696 10.458 655 HB2 ASN 87 2HB ASN 87 8.535 -0.608 8.270 656 HB3 ASN 87 3HB ASN 87 9.275 -2.118 8.794 657 HD21 ASN 87 1HD2 ASN 87 7.364 -2.958 9.566 658 HD22 ASN 87 2HD2 ASN 87 6.598 -2.370 10.998 659 H MET 88 H MET 88 10.451 0.479 7.101 660 HA MET 88 HA MET 88 12.485 -1.312 6.189 661 HB2 MET 88 2HB MET 88 12.412 0.082 4.116 662 HB3 MET 88 3HB MET 88 10.848 -0.552 4.608 663 HG2 MET 88 2HG MET 88 10.914 1.874 5.866 664 HG3 MET 88 3HG MET 88 11.764 2.202 4.358 665 HE1 MET 88 3HE MET 88 10.579 1.387 1.885 666 HE2 MET 88 1HE MET 88 10.329 -0.166 2.683 667 HE3 MET 88 2HE MET 88 8.981 0.639 1.881 668 H LYS 89 H LYS 89 12.387 2.083 7.157 669 HA LYS 89 HA LYS 89 14.894 2.925 6.380 670 HB2 LYS 89 2HB LYS 89 13.000 4.220 7.563 671 HB3 LYS 89 3HB LYS 89 13.745 3.671 9.059 672 HG2 LYS 89 2HG LYS 89 15.658 4.931 8.722 673 HG3 LYS 89 3HG LYS 89 15.380 5.071 6.985 674 HD2 LYS 89 2HD LYS 89 13.649 6.650 7.291 675 HD3 LYS 89 3HD LYS 89 13.539 6.306 9.019 676 HE2 LYS 89 2HE LYS 89 15.448 7.502 9.511 677 HE3 LYS 89 3HE LYS 89 16.108 7.320 7.887 678 HZ1 LYS 89 3HZ LYS 89 15.442 9.464 7.764 679 HZ2 LYS 89 1HZ LYS 89 14.213 9.285 8.913 680 HZ3 LYS 89 2HZ LYS 89 13.971 8.750 7.327 681 H LYS 90 H LYS 90 13.988 1.001 9.188 682 HA LYS 90 HA LYS 90 16.397 1.069 10.588 683 HB2 LYS 90 2HB LYS 90 13.996 -0.117 10.994 684 HB3 LYS 90 3HB LYS 90 14.965 -1.518 10.556 685 HG2 LYS 90 2HG LYS 90 15.829 0.422 12.676 686 HG3 LYS 90 3HG LYS 90 14.787 -0.961 13.022 687 HD2 LYS 90 2HD LYS 90 16.625 -2.330 11.807 688 HD3 LYS 90 3HD LYS 90 17.641 -0.919 12.112 689 HE2 LYS 90 2HE LYS 90 16.096 -2.368 14.255 690 HE3 LYS 90 3HE LYS 90 17.774 -2.726 13.849 691 HZ1 LYS 90 3HZ LYS 90 17.440 -1.163 15.753 692 HZ2 LYS 90 1HZ LYS 90 16.844 -0.028 14.650 693 HZ3 LYS 90 2HZ LYS 90 18.439 -0.575 14.521 694 H VAL 91 H VAL 91 15.332 -1.110 8.001 695 HA VAL 91 HA VAL 91 17.651 -2.736 8.012 696 HB VAL 91 HB VAL 91 16.717 -3.868 6.282 697 HG11 VAL 91 1HG1 VAL 91 14.936 -3.270 8.053 698 HG12 VAL 91 2HG1 VAL 91 14.247 -2.251 6.787 699 HG13 VAL 91 3HG1 VAL 91 14.409 -3.988 6.531 700 HG21 VAL 91 3HG2 VAL 91 15.864 -1.206 5.158 701 HG22 VAL 91 1HG2 VAL 91 17.133 -2.276 4.561 702 HG23 VAL 91 2HG2 VAL 91 15.441 -2.755 4.428 703 H ILE 92 H ILE 92 16.774 0.212 6.301 704 HA ILE 92 HA ILE 92 18.926 0.223 4.472 705 HB ILE 92 HB ILE 92 17.584 2.686 5.571 706 HG12 ILE 92 2HG1 ILE 92 16.591 0.659 3.580 707 HG13 ILE 92 3HG1 ILE 92 15.749 1.336 4.970 708 HG21 ILE 92 1HG2 ILE 92 18.129 3.676 3.469 709 HG22 ILE 92 2HG2 ILE 92 19.591 2.917 4.098 710 HG23 ILE 92 3HG2 ILE 92 18.669 2.129 2.817 711 HD11 ILE 92 3HD1 ILE 92 14.740 2.359 3.155 712 HD12 ILE 92 1HD1 ILE 92 15.900 3.565 3.710 713 HD13 ILE 92 2HD1 ILE 92 16.267 2.572 2.299 714 H LYS 93 H LYS 93 18.509 1.760 7.647 715 HA LYS 93 HA LYS 93 21.017 3.041 7.712 716 HB2 LYS 93 2HB LYS 93 18.907 2.368 9.684 717 HB3 LYS 93 3HB LYS 93 20.510 2.690 10.333 718 HG2 LYS 93 2HG LYS 93 19.503 4.630 8.356 719 HG3 LYS 93 3HG LYS 93 18.664 4.587 9.909 720 HD2 LYS 93 2HD LYS 93 20.381 6.179 10.170 721 HD3 LYS 93 3HD LYS 93 20.967 4.725 10.982 722 HE2 LYS 93 2HE LYS 93 22.495 4.251 9.297 723 HE3 LYS 93 3HE LYS 93 21.642 5.238 8.111 724 HZ1 LYS 93 3HZ LYS 93 23.405 6.117 10.309 725 HZ2 LYS 93 1HZ LYS 93 22.282 7.178 9.619 726 HZ3 LYS 93 2HZ LYS 93 23.497 6.493 8.662 727 H ALA 94 H ALA 94 19.945 -0.125 8.880 728 HA ALA 94 HA ALA 94 22.380 -0.855 10.114 729 HB1 ALA 94 1HB ALA 94 20.065 -2.467 9.076 730 HB2 ALA 94 2HB ALA 94 21.463 -3.205 9.858 731 HB3 ALA 94 3HB ALA 94 20.457 -2.061 10.747 732 H THR 95 H THR 95 21.199 -1.098 6.823 733 HA THR 95 HA THR 95 23.193 -2.881 5.872 734 HB THR 95 HB THR 95 21.452 -0.898 4.400 735 HG1 THR 95 HG1 THR 95 20.055 -2.492 4.388 736 HG21 THR 95 3HG2 THR 95 22.259 -2.888 2.628 737 HG22 THR 95 1HG2 THR 95 23.732 -2.430 3.483 738 HG23 THR 95 2HG2 THR 95 22.787 -1.205 2.636 739 H ALA 96 H ALA 96 22.883 0.657 5.804 740 HA ALA 96 HA ALA 96 25.306 1.127 4.417 741 HB1 ALA 96 1HB ALA 96 24.156 3.132 6.309 742 HB2 ALA 96 2HB ALA 96 24.894 3.375 4.725 743 HB3 ALA 96 3HB ALA 96 23.271 2.694 4.847 744 H GLU 97 H GLU 97 24.475 1.244 7.875 745 HA GLU 97 HA GLU 97 27.048 1.958 8.777 746 HB2 GLU 97 2HB GLU 97 26.262 1.516 10.958 747 HB3 GLU 97 3HB GLU 97 24.856 2.077 10.064 748 HG2 GLU 97 2HG GLU 97 23.968 0.290 11.163 749 HG3 GLU 97 3HG GLU 97 24.472 -0.478 9.659 750 H LYS 98 H LYS 98 25.555 -1.128 8.056 751 HA LYS 98 HA LYS 98 27.364 -2.843 9.308 752 HB2 LYS 98 2HB LYS 98 25.326 -3.727 8.418 753 HB3 LYS 98 3HB LYS 98 25.725 -3.177 6.796 754 HG2 LYS 98 2HG LYS 98 26.044 -5.550 6.930 755 HG3 LYS 98 3HG LYS 98 27.616 -4.764 6.758 756 HD2 LYS 98 2HD LYS 98 27.918 -6.407 8.418 757 HD3 LYS 98 3HD LYS 98 27.777 -4.881 9.295 758 HE2 LYS 98 2HE LYS 98 26.411 -6.331 10.500 759 HE3 LYS 98 3HE LYS 98 25.276 -5.458 9.471 760 HZ1 LYS 98 3HZ LYS 98 25.737 -8.227 9.610 761 HZ2 LYS 98 1HZ LYS 98 26.140 -7.695 8.055 762 HZ3 LYS 98 2HZ LYS 98 24.597 -7.394 8.679 763 H PHE 99 H PHE 99 27.518 -1.235 6.175 764 HA PHE 99 HA PHE 99 29.793 -2.588 5.197 765 HB2 PHE 99 2HB PHE 99 28.335 -0.089 4.505 766 HB3 PHE 99 3HB PHE 99 29.979 -0.256 3.898 767 HD1 PHE 99 HD1 PHE 99 30.531 -2.425 2.624 768 HD2 PHE 99 HD2 PHE 99 26.570 -1.055 3.364 769 HE1 PHE 99 HE1 PHE 99 29.706 -3.820 0.773 770 HE2 PHE 99 HE2 PHE 99 25.738 -2.449 1.515 771 HZ PHE 99 HZ PHE 99 27.307 -3.833 0.216 772 H LYS 100 H LYS 100 29.387 0.196 7.280 773 HA LYS 100 HA LYS 100 31.999 1.215 7.169 774 HB2 LYS 100 2HB LYS 100 30.158 2.469 8.159 775 HB3 LYS 100 3HB LYS 100 30.001 1.271 9.438 776 HG2 LYS 100 2HG LYS 100 31.906 1.975 10.520 777 HG3 LYS 100 3HG LYS 100 32.601 2.683 9.060 778 HD2 LYS 100 2HD LYS 100 30.066 3.888 9.928 779 HD3 LYS 100 3HD LYS 100 31.409 4.099 11.054 780 HE2 LYS 100 2HE LYS 100 32.701 4.739 8.843 781 HE3 LYS 100 3HE LYS 100 31.074 5.107 8.272 782 HZ1 LYS 100 3HZ LYS 100 32.730 6.575 10.068 783 HZ2 LYS 100 1HZ LYS 100 31.218 6.250 10.754 784 HZ3 LYS 100 2HZ LYS 100 31.318 7.058 9.272 785 H ASN 101 H ASN 101 30.642 -1.509 8.856 786 HA ASN 101 HA ASN 101 32.626 -1.871 10.812 787 HB2 ASN 101 2HB ASN 101 30.907 -3.943 9.429 788 HB3 ASN 101 3HB ASN 101 31.822 -4.207 10.910 789 HD21 ASN 101 1HD2 ASN 101 29.182 -4.696 10.931 790 HD22 ASN 101 2HD2 ASN 101 28.345 -3.492 11.845 791 H LYS 102 H LYS 102 32.737 -2.235 7.436 792 HA LYS 102 HA LYS 102 35.046 -4.038 7.555 793 HB2 LYS 102 2HB LYS 102 33.078 -4.379 5.938 794 HB3 LYS 102 3HB LYS 102 33.732 -3.011 5.047 795 HG2 LYS 102 2HG LYS 102 35.633 -4.164 4.412 796 HG3 LYS 102 3HG LYS 102 35.479 -5.340 5.720 797 HD2 LYS 102 2HD LYS 102 34.888 -6.458 3.705 798 HD3 LYS 102 3HD LYS 102 33.389 -6.166 4.590 799 HE2 LYS 102 2HE LYS 102 32.710 -5.429 2.556 800 HE3 LYS 102 3HE LYS 102 33.452 -3.934 3.126 801 HZ1 LYS 102 3HZ LYS 102 34.431 -4.149 1.093 802 HZ2 LYS 102 1HZ LYS 102 34.415 -5.840 1.119 803 HZ3 LYS 102 2HZ LYS 102 35.560 -4.991 2.030 804 H GLY 103 H GLY 103 34.365 -0.774 7.531 805 HA2 GLY 103 2HA GLY 103 36.184 0.791 7.725 806 HA3 GLY 103 3HA GLY 103 37.088 -0.183 6.575 807 H PHE 104 H PHE 104 33.901 1.422 6.650 808 HA PHE 104 HA PHE 104 34.645 2.922 4.259 809 HB2 PHE 104 2HB PHE 104 32.188 1.167 4.433 810 HB3 PHE 104 3HB PHE 104 32.501 2.331 3.150 811 HD1 PHE 104 HD2 PHE 104 33.708 -0.794 4.706 812 HD2 PHE 104 HD1 PHE 104 33.896 1.794 1.332 813 HE1 PHE 104 HE2 PHE 104 34.951 -2.513 3.460 814 HE2 PHE 104 HE1 PHE 104 35.138 0.079 0.080 815 HZ PHE 104 HZ PHE 104 35.667 -2.079 1.144 816 H LYS 105 H LYS 105 33.282 4.752 3.846 817 HA LYS 105 HA LYS 105 32.239 5.897 6.294 818 HB2 LYS 105 2HB LYS 105 33.674 7.218 4.771 819 HB3 LYS 105 3HB LYS 105 32.441 7.093 3.523 820 HG2 LYS 105 2HG LYS 105 32.291 9.243 4.574 821 HG3 LYS 105 3HG LYS 105 30.870 8.290 5.005 822 HD2 LYS 105 2HD LYS 105 31.769 7.816 7.176 823 HD3 LYS 105 3HD LYS 105 33.318 8.545 6.747 824 HE2 LYS 105 2HE LYS 105 31.978 10.041 8.141 825 HE3 LYS 105 3HE LYS 105 32.250 10.723 6.538 826 HZ1 LYS 105 3HZ LYS 105 29.845 10.492 7.762 827 HZ2 LYS 105 1HZ LYS 105 29.846 9.162 6.716 828 HZ3 LYS 105 2HZ LYS 105 30.079 10.721 6.102 829 H VAL 106 H VAL 106 30.136 6.548 6.659 830 HA VAL 106 HA VAL 106 28.133 5.617 4.706 831 HB VAL 106 HB VAL 106 27.848 5.536 7.713 832 HG11 VAL 106 1HG1 VAL 106 25.877 4.007 6.941 833 HG12 VAL 106 2HG1 VAL 106 25.688 5.762 6.942 834 HG13 VAL 106 3HG1 VAL 106 26.024 4.910 5.434 835 HG21 VAL 106 3HG2 VAL 106 29.476 3.886 6.788 836 HG22 VAL 106 1HG2 VAL 106 28.073 3.155 7.569 837 HG23 VAL 106 2HG2 VAL 106 28.169 3.220 5.809 838 H GLU 107 H GLU 107 26.752 7.120 4.031 839 HA GLU 107 HA GLU 107 26.292 9.480 5.728 840 HB2 GLU 107 2HB GLU 107 27.806 10.213 4.023 841 HB3 GLU 107 3HB GLU 107 26.868 9.418 2.767 842 HG2 GLU 107 2HG GLU 107 25.032 10.976 3.139 843 HG3 GLU 107 3HG GLU 107 25.958 11.768 4.412 844 H THR 108 H THR 108 24.233 10.316 5.727 845 HA THR 108 HA THR 108 22.221 8.789 4.205 846 HB THR 108 HB THR 108 20.725 9.687 6.227 847 HG1 THR 108 HG1 THR 108 22.406 10.691 7.354 848 HG21 THR 108 3HG2 THR 108 20.980 7.505 7.281 849 HG22 THR 108 1HG2 THR 108 22.499 7.250 6.424 850 HG23 THR 108 2HG2 THR 108 20.984 7.341 5.525 851 H ASP 109 H ASP 109 20.815 9.910 2.993 852 HA ASP 109 HA ASP 109 20.549 12.799 3.437 853 HB2 ASP 109 2HB ASP 109 22.120 11.867 1.435 854 HB3 ASP 109 3HB ASP 109 20.565 11.931 0.611 855 H MET 110 H MET 110 18.728 13.667 1.932 856 HA MET 110 HA MET 110 16.617 11.746 1.423 857 HB2 MET 110 2HB MET 110 16.373 12.317 3.829 858 HB3 MET 110 3HB MET 110 16.189 14.008 3.383 859 HG2 MET 110 2HG MET 110 14.264 13.010 1.864 860 HG3 MET 110 3HG MET 110 14.298 11.747 3.092 861 HE1 MET 110 3HE MET 110 12.567 14.134 1.837 862 HE2 MET 110 1HE MET 110 11.386 14.332 3.132 863 HE3 MET 110 2HE MET 110 12.541 15.619 2.789 Start of MODEL 16 1 H1 MET 1 H MET 1 1.920 -0.982 1.460 2 HA MET 1 HA MET 1 1.428 -0.687 -1.376 3 HB2 MET 1 2HB MET 1 3.032 1.362 -1.364 4 HB3 MET 1 3HB MET 1 1.327 1.600 -1.005 5 HG2 MET 1 2HG MET 1 1.746 2.311 1.061 6 HG3 MET 1 3HG MET 1 2.920 1.032 1.361 7 HE1 MET 1 3HE MET 1 5.235 2.054 -1.263 8 HE2 MET 1 1HE MET 1 6.205 2.290 0.191 9 HE3 MET 1 2HE MET 1 5.074 0.940 0.095 10 H THR 2 H THR 2 3.462 -0.726 -2.632 11 HA THR 2 HA THR 2 5.474 -2.352 -1.235 12 HB THR 2 HB THR 2 5.412 -2.158 -4.213 13 HG1 THR 2 HG1 THR 2 3.208 -2.620 -3.137 14 HG21 THR 2 3HG2 THR 2 5.657 -4.753 -2.876 15 HG22 THR 2 1HG2 THR 2 6.901 -3.590 -2.418 16 HG23 THR 2 2HG2 THR 2 6.673 -4.017 -4.114 17 H LEU 3 H LEU 3 7.522 -1.671 -1.041 18 HA LEU 3 HA LEU 3 8.290 0.787 -2.473 19 HB2 LEU 3 2HB LEU 3 8.076 0.458 0.230 20 HB3 LEU 3 3HB LEU 3 9.786 0.130 -0.041 21 HG LEU 3 HG LEU 3 10.196 2.303 -0.817 22 HD11 LEU 3 1HD1 LEU 3 7.358 2.233 -1.524 23 HD12 LEU 3 2HD1 LEU 3 8.702 3.078 -2.292 24 HD13 LEU 3 3HD1 LEU 3 7.908 3.782 -0.883 25 HD21 LEU 3 3HD2 LEU 3 10.012 3.285 1.172 26 HD22 LEU 3 1HD2 LEU 3 9.071 1.884 1.684 27 HD23 LEU 3 2HD2 LEU 3 8.251 3.320 1.071 28 H CYS 4 H CYS 4 10.113 0.765 -3.651 29 HA CYS 4 HA CYS 4 11.865 -1.592 -3.419 30 HB2 CYS 4 2HB CYS 4 11.283 -0.094 -5.977 31 HB3 CYS 4 3HB CYS 4 12.174 -1.601 -5.802 32 HG CYS 4 HG CYS 4 8.945 -1.553 -4.782 33 H ALA 5 H ALA 5 14.092 -1.272 -3.889 34 HA ALA 5 HA ALA 5 15.001 1.511 -4.033 35 HB1 ALA 5 1HB ALA 5 15.702 1.554 -1.932 36 HB2 ALA 5 2HB ALA 5 15.099 -0.085 -1.681 37 HB3 ALA 5 3HB ALA 5 16.747 0.170 -2.254 38 H MET 6 H MET 6 16.922 1.811 -5.102 39 HA MET 6 HA MET 6 18.171 -0.611 -6.223 40 HB2 MET 6 2HB MET 6 18.697 0.699 -8.226 41 HB3 MET 6 3HB MET 6 16.964 0.654 -7.932 42 HG2 MET 6 2HG MET 6 17.376 2.908 -6.716 43 HG3 MET 6 3HG MET 6 18.873 2.927 -7.646 44 HE1 MET 6 3HE MET 6 17.867 3.360 -11.236 45 HE2 MET 6 1HE MET 6 19.109 2.967 -10.047 46 HE3 MET 6 2HE MET 6 17.999 1.716 -10.608 47 H TYR 7 H TYR 7 20.233 -0.915 -5.711 48 HA TYR 7 HA TYR 7 21.821 1.415 -4.852 49 HB2 TYR 7 2HB TYR 7 22.834 0.161 -3.147 50 HB3 TYR 7 3HB TYR 7 21.140 -0.310 -3.064 51 HD1 TYR 7 HD1 TYR 7 20.490 -2.459 -4.394 52 HD2 TYR 7 HD2 TYR 7 24.469 -1.482 -3.249 53 HE1 TYR 7 HE1 TYR 7 21.131 -4.822 -4.626 54 HE2 TYR 7 HE2 TYR 7 25.122 -3.842 -3.479 55 HH TYR 7 HH TYR 7 23.190 -6.294 -3.446 56 H ASN 8 H ASN 8 23.878 1.614 -5.627 57 HA ASN 8 HA ASN 8 24.712 -0.381 -7.629 58 HB2 ASN 8 2HB ASN 8 25.655 1.339 -8.946 59 HB3 ASN 8 3HB ASN 8 24.094 1.970 -8.427 60 HD21 ASN 8 1HD2 ASN 8 24.054 3.894 -7.501 61 HD22 ASN 8 2HD2 ASN 8 25.426 4.747 -6.889 62 H ILE 9 H ILE 9 26.710 -1.249 -7.494 63 HA ILE 9 HA ILE 9 28.438 -0.293 -5.306 64 HB ILE 9 HB ILE 9 29.384 -2.719 -5.517 65 HG12 ILE 9 2HG1 ILE 9 26.603 -3.005 -6.670 66 HG13 ILE 9 3HG1 ILE 9 28.119 -3.390 -7.476 67 HG21 ILE 9 1HG2 ILE 9 28.427 -2.987 -3.524 68 HG22 ILE 9 2HG2 ILE 9 27.595 -1.463 -3.824 69 HG23 ILE 9 3HG2 ILE 9 26.807 -2.990 -4.219 70 HD11 ILE 9 3HD1 ILE 9 26.497 -5.014 -5.754 71 HD12 ILE 9 1HD1 ILE 9 27.866 -5.468 -6.767 72 HD13 ILE 9 2HD1 ILE 9 28.140 -4.884 -5.125 73 H SER 10 H SER 10 30.457 0.314 -5.782 74 HA SER 10 HA SER 10 31.433 -0.201 -8.514 75 HB2 SER 10 2HB SER 10 32.606 2.014 -6.916 76 HB3 SER 10 3HB SER 10 32.261 1.929 -8.643 77 HG SER 10 HG SER 10 30.125 1.964 -6.829 78 H MET 11 H MET 11 33.152 -1.467 -8.695 79 HA MET 11 HA MET 11 34.647 -2.206 -6.316 80 HB2 MET 11 2HB MET 11 35.621 -3.950 -7.683 81 HB3 MET 11 3HB MET 11 33.877 -3.938 -7.908 82 HG2 MET 11 2HG MET 11 35.387 -2.303 -9.819 83 HG3 MET 11 3HG MET 11 35.687 -4.037 -9.910 84 HE1 MET 11 3HE MET 11 33.249 -2.149 -12.464 85 HE2 MET 11 1HE MET 11 34.934 -2.504 -12.083 86 HE3 MET 11 2HE MET 11 33.921 -3.739 -12.830 87 H ALA 12 H ALA 12 34.851 0.240 -8.476 88 HA ALA 12 HA ALA 12 37.374 1.114 -7.682 89 HB1 ALA 12 1HB ALA 12 37.625 -0.944 -9.523 90 HB2 ALA 12 2HB ALA 12 37.865 0.522 -10.474 91 HB3 ALA 12 3HB ALA 12 38.873 0.214 -9.060 92 H GLY 13 H GLY 13 38.252 2.550 -9.872 93 HA2 GLY 13 2HA GLY 13 36.162 4.551 -10.049 94 HA3 GLY 13 3HA GLY 13 37.818 4.715 -10.614 95 H SER 14 H SER 14 35.406 2.244 -11.422 96 HA SER 14 HA SER 14 35.360 3.266 -14.177 97 HB2 SER 14 2HB SER 14 36.955 1.318 -13.922 98 HB3 SER 14 3HB SER 14 35.558 0.324 -13.511 99 HG SER 14 HG SER 14 35.010 0.274 -15.542 100 H HIS 15 H HIS 15 33.524 2.489 -15.442 101 HA HIS 15 HA HIS 15 31.088 2.989 -14.542 102 HB2 HIS 15 2HB HIS 15 31.818 0.696 -16.370 103 HB3 HIS 15 3HB HIS 15 30.169 1.267 -16.134 104 HD1 HIS 15 HD1 HIS 15 31.666 1.352 -18.886 105 HD2 HIS 15 HD2 HIS 15 31.303 4.537 -16.244 106 HE1 HIS 15 HE1 HIS 15 31.950 3.422 -20.286 107 HA PRO 16 HA PRO 16 30.760 0.059 -11.122 108 HB2 PRO 16 2HB PRO 16 28.702 1.361 -9.922 109 HB3 PRO 16 3HB PRO 16 30.388 1.863 -9.748 110 HG2 PRO 16 2HG PRO 16 28.261 2.960 -11.547 111 HG3 PRO 16 3HG PRO 16 29.463 3.830 -10.575 112 HD2 PRO 16 2HD PRO 16 29.758 3.424 -13.236 113 HD3 PRO 16 3HD PRO 16 31.139 3.498 -12.123 114 H THR 17 H THR 17 28.672 -0.942 -10.111 115 HA THR 17 HA THR 17 26.879 -1.688 -12.329 116 HB THR 17 HB THR 17 27.566 -3.401 -9.936 117 HG1 THR 17 HG1 THR 17 29.347 -2.981 -11.459 118 HG21 THR 17 3HG2 THR 17 26.252 -4.114 -12.559 119 HG22 THR 17 1HG2 THR 17 25.390 -3.846 -11.045 120 HG23 THR 17 2HG2 THR 17 26.525 -5.189 -11.188 121 H THR 18 H THR 18 24.782 -1.272 -12.089 122 HA THR 18 HA THR 18 23.825 -0.446 -9.436 123 HB THR 18 HB THR 18 22.336 0.030 -12.005 124 HG1 THR 18 HG1 THR 18 24.146 1.900 -10.876 125 HG21 THR 18 3HG2 THR 18 20.940 0.620 -10.276 126 HG22 THR 18 1HG2 THR 18 21.785 2.146 -10.536 127 HG23 THR 18 2HG2 THR 18 22.270 1.082 -9.215 128 H ILE 19 H ILE 19 22.029 -1.356 -8.509 129 HA ILE 19 HA ILE 19 20.665 -3.505 -9.968 130 HB ILE 19 HB ILE 19 22.334 -3.810 -7.575 131 HG12 ILE 19 2HG1 ILE 19 21.199 -5.630 -9.698 132 HG13 ILE 19 3HG1 ILE 19 22.859 -5.069 -9.533 133 HG21 ILE 19 1HG2 ILE 19 20.209 -3.876 -6.446 134 HG22 ILE 19 2HG2 ILE 19 19.565 -4.998 -7.643 135 HG23 ILE 19 3HG2 ILE 19 20.853 -5.514 -6.554 136 HD11 ILE 19 3HD1 ILE 19 21.421 -7.000 -7.732 137 HD12 ILE 19 1HD1 ILE 19 22.718 -7.367 -8.868 138 HD13 ILE 19 2HD1 ILE 19 23.045 -6.375 -7.447 139 H CYS 20 H CYS 20 18.517 -3.698 -9.541 140 HA CYS 20 HA CYS 20 17.404 -1.905 -7.484 141 HB2 CYS 20 2HB CYS 20 15.380 -1.771 -9.009 142 HB3 CYS 20 3HB CYS 20 16.827 -0.948 -9.580 143 HG CYS 20 HG CYS 20 15.022 -3.119 -11.150 144 H VAL 21 H VAL 21 16.442 -2.967 -5.896 145 HA VAL 21 HA VAL 21 14.860 -5.353 -6.512 146 HB VAL 21 HB VAL 21 15.777 -6.457 -4.436 147 HG11 VAL 21 1HG1 VAL 21 16.515 -7.521 -6.317 148 HG12 VAL 21 2HG1 VAL 21 17.268 -6.068 -6.978 149 HG13 VAL 21 3HG1 VAL 21 18.057 -6.955 -5.674 150 HG21 VAL 21 3HG2 VAL 21 17.783 -5.737 -3.455 151 HG22 VAL 21 1HG2 VAL 21 18.126 -4.617 -4.774 152 HG23 VAL 21 2HG2 VAL 21 16.825 -4.267 -3.635 153 H VAL 22 H VAL 22 13.176 -5.770 -5.061 154 HA VAL 22 HA VAL 22 12.050 -3.494 -3.809 155 HB VAL 22 HB VAL 22 10.297 -5.000 -3.010 156 HG11 VAL 22 1HG1 VAL 22 9.402 -4.921 -5.042 157 HG12 VAL 22 2HG1 VAL 22 10.996 -4.511 -5.678 158 HG13 VAL 22 3HG1 VAL 22 10.477 -6.196 -5.616 159 HG21 VAL 22 3HG2 VAL 22 12.206 -7.142 -3.906 160 HG22 VAL 22 1HG2 VAL 22 11.456 -6.931 -2.324 161 HG23 VAL 22 2HG2 VAL 22 10.480 -7.440 -3.702 162 H MET 23 H MET 23 11.523 -3.208 -1.572 163 HA MET 23 HA MET 23 13.658 -3.449 0.178 164 HB2 MET 23 2HB MET 23 11.811 -1.865 0.500 165 HB3 MET 23 3HB MET 23 10.723 -3.199 0.862 166 HG2 MET 23 2HG MET 23 12.672 -3.649 2.672 167 HG3 MET 23 3HG MET 23 12.746 -1.894 2.542 168 HE1 MET 23 3HE MET 23 9.755 -4.483 2.317 169 HE2 MET 23 1HE MET 23 10.730 -4.993 3.696 170 HE3 MET 23 2HE MET 23 9.109 -4.345 3.953 171 H ASP 24 H ASP 24 10.907 -5.596 -0.313 172 HA ASP 24 HA ASP 24 11.236 -7.274 1.886 173 HB2 ASP 24 2HB ASP 24 9.934 -7.468 -0.758 174 HB3 ASP 24 3HB ASP 24 10.344 -9.008 -0.007 175 H ARG 25 H ARG 25 13.008 -7.088 -1.109 176 HA ARG 25 HA ARG 25 14.622 -9.407 -0.273 177 HB2 ARG 25 2HB ARG 25 14.382 -8.270 -3.062 178 HB3 ARG 25 3HB ARG 25 15.199 -9.754 -2.591 179 HG2 ARG 25 2HG ARG 25 12.247 -9.306 -2.241 180 HG3 ARG 25 3HG ARG 25 12.963 -10.057 -3.669 181 HD2 ARG 25 2HD ARG 25 13.924 -11.812 -2.278 182 HD3 ARG 25 3HD ARG 25 13.257 -11.048 -0.835 183 HE ARG 25 HE ARG 25 11.248 -12.021 -1.311 184 HH11 ARG 25 1HH1 ARG 25 13.198 -12.015 -4.195 185 HH12 ARG 25 2HH1 ARG 25 12.074 -12.960 -5.114 186 HH21 ARG 25 1HH2 ARG 25 9.760 -13.266 -2.510 187 HH22 ARG 25 2HH2 ARG 25 10.118 -13.670 -4.155 188 H PHE 26 H PHE 26 14.601 -6.084 -0.490 189 HA PHE 26 HA PHE 26 17.238 -5.539 -1.355 190 HB2 PHE 26 2HB PHE 26 15.377 -3.862 -1.213 191 HB3 PHE 26 3HB PHE 26 15.561 -3.882 0.538 192 HD1 PHE 26 HD1 PHE 26 18.254 -3.995 -2.003 193 HD2 PHE 26 HD2 PHE 26 16.259 -1.695 0.971 194 HE1 PHE 26 HE1 PHE 26 20.000 -2.270 -2.171 195 HE2 PHE 26 HE2 PHE 26 18.001 0.034 0.807 196 HZ PHE 26 HZ PHE 26 19.876 -0.253 -0.765 197 H LEU 27 H LEU 27 15.822 -5.951 1.873 198 HA LEU 27 HA LEU 27 18.125 -5.431 3.368 199 HB2 LEU 27 2HB LEU 27 17.014 -6.403 5.199 200 HB3 LEU 27 3HB LEU 27 15.761 -5.662 4.205 201 HG LEU 27 HG LEU 27 16.398 -8.599 4.063 202 HD11 LEU 27 1HD1 LEU 27 15.779 -7.865 6.389 203 HD12 LEU 27 2HD1 LEU 27 14.705 -9.055 5.654 204 HD13 LEU 27 3HD1 LEU 27 14.223 -7.360 5.731 205 HD21 LEU 27 3HD2 LEU 27 15.155 -7.730 2.188 206 HD22 LEU 27 1HD2 LEU 27 14.012 -6.934 3.270 207 HD23 LEU 27 2HD2 LEU 27 14.081 -8.695 3.202 208 H GLU 28 H GLU 28 16.888 -8.476 2.037 209 HA GLU 28 HA GLU 28 19.011 -10.061 3.103 210 HB2 GLU 28 2HB GLU 28 18.132 -11.829 1.620 211 HB3 GLU 28 3HB GLU 28 16.871 -11.080 2.589 212 HG2 GLU 28 2HG GLU 28 16.308 -9.659 0.618 213 HG3 GLU 28 3HG GLU 28 17.449 -10.616 -0.325 214 H SER 29 H SER 29 18.321 -8.662 -0.081 215 HA SER 29 HA SER 29 20.469 -9.748 -1.485 216 HB2 SER 29 2HB SER 29 18.882 -8.680 -2.825 217 HB3 SER 29 3HB SER 29 18.849 -7.240 -1.808 218 HG SER 29 HG SER 29 19.982 -6.902 -3.777 219 H PHE 30 H PHE 30 20.264 -6.635 0.229 220 HA PHE 30 HA PHE 30 22.912 -5.833 -0.272 221 HB2 PHE 30 2HB PHE 30 20.684 -4.758 1.027 222 HB3 PHE 30 3HB PHE 30 21.916 -4.875 2.279 223 HD1 PHE 30 HD1 PHE 30 24.297 -4.477 0.390 224 HD2 PHE 30 HD2 PHE 30 20.621 -2.390 0.890 225 HE1 PHE 30 HE1 PHE 30 25.352 -2.423 -0.457 226 HE2 PHE 30 HE2 PHE 30 21.671 -0.332 0.043 227 HZ PHE 30 HZ PHE 30 24.039 -0.346 -0.630 228 H SER 31 H SER 31 21.464 -7.536 2.483 229 HA SER 31 HA SER 31 23.678 -7.671 4.143 230 HB2 SER 31 2HB SER 31 21.522 -8.388 4.942 231 HB3 SER 31 3HB SER 31 21.444 -9.670 3.734 232 HG SER 31 HG SER 31 22.542 -9.729 6.177 233 H GLU 32 H GLU 32 22.716 -9.884 1.540 234 HA GLU 32 HA GLU 32 24.945 -11.628 1.899 235 HB2 GLU 32 2HB GLU 32 22.757 -12.263 0.833 236 HB3 GLU 32 3HB GLU 32 23.234 -11.317 -0.570 237 HG2 GLU 32 2HG GLU 32 23.852 -13.426 -1.209 238 HG3 GLU 32 3HG GLU 32 25.357 -12.817 -0.523 239 H LEU 33 H LEU 33 24.240 -8.905 -0.230 240 HA LEU 33 HA LEU 33 26.404 -9.106 -1.967 241 HB2 LEU 33 2HB LEU 33 24.564 -7.563 -2.322 242 HB3 LEU 33 3HB LEU 33 25.043 -6.636 -0.903 243 HG LEU 33 HG LEU 33 25.627 -5.758 -3.273 244 HD11 LEU 33 1HD1 LEU 33 27.347 -4.499 -2.365 245 HD12 LEU 33 2HD1 LEU 33 27.939 -5.833 -1.376 246 HD13 LEU 33 3HD1 LEU 33 26.443 -5.009 -0.939 247 HD21 LEU 33 3HD2 LEU 33 28.162 -7.250 -2.983 248 HD22 LEU 33 1HD2 LEU 33 27.333 -6.687 -4.434 249 HD23 LEU 33 2HD2 LEU 33 26.781 -8.148 -3.614 250 H TYR 34 H TYR 34 26.207 -7.756 1.273 251 HA TYR 34 HA TYR 34 28.740 -6.503 1.290 252 HB2 TYR 34 2HB TYR 34 27.177 -5.842 2.956 253 HB3 TYR 34 3HB TYR 34 26.942 -7.500 3.497 254 HD1 TYR 34 HD2 TYR 34 29.214 -4.610 3.563 255 HD2 TYR 34 HD1 TYR 34 28.485 -8.539 5.023 256 HE1 TYR 34 HE2 TYR 34 30.945 -4.287 5.280 257 HE2 TYR 34 HE1 TYR 34 30.213 -8.227 6.745 258 HH TYR 34 HH TYR 34 31.952 -6.917 7.391 259 H ASP 35 H ASP 35 27.688 -9.779 1.879 260 HA ASP 35 HA ASP 35 30.144 -10.654 3.066 261 HB2 ASP 35 2HB ASP 35 27.553 -11.733 2.656 262 HB3 ASP 35 3HB ASP 35 28.699 -12.829 1.888 263 H ILE 36 H ILE 36 28.839 -10.490 -0.174 264 HA ILE 36 HA ILE 36 31.076 -12.005 -1.268 265 HB ILE 36 HB ILE 36 28.947 -12.488 -2.264 266 HG12 ILE 36 2HG1 ILE 36 31.170 -11.928 -3.685 267 HG13 ILE 36 3HG1 ILE 36 29.684 -12.524 -4.416 268 HG21 ILE 36 1HG2 ILE 36 27.690 -10.537 -1.752 269 HG22 ILE 36 2HG2 ILE 36 28.758 -9.519 -2.717 270 HG23 ILE 36 3HG2 ILE 36 27.707 -10.694 -3.508 271 HD11 ILE 36 3HD1 ILE 36 30.216 -9.592 -4.130 272 HD12 ILE 36 1HD1 ILE 36 30.837 -10.521 -5.494 273 HD13 ILE 36 2HD1 ILE 36 29.098 -10.417 -5.216 274 H ILE 37 H ILE 37 30.190 -8.768 -0.651 275 HA ILE 37 HA ILE 37 31.410 -7.353 -2.699 276 HB ILE 37 HB ILE 37 30.049 -6.433 -0.749 277 HG12 ILE 37 2HG1 ILE 37 31.357 -4.256 -0.766 278 HG13 ILE 37 3HG1 ILE 37 32.584 -5.098 -1.706 279 HG21 ILE 37 1HG2 ILE 37 31.992 -7.497 0.799 280 HG22 ILE 37 2HG2 ILE 37 32.536 -5.823 0.697 281 HG23 ILE 37 3HG2 ILE 37 30.924 -6.190 1.311 282 HD11 ILE 37 3HD1 ILE 37 29.905 -4.148 -2.493 283 HD12 ILE 37 1HD1 ILE 37 31.408 -4.213 -3.413 284 HD13 ILE 37 2HD1 ILE 37 30.446 -5.675 -3.190 285 H ASP 38 H ASP 38 32.832 -9.233 -0.189 286 HA ASP 38 HA ASP 38 35.360 -8.031 -0.005 287 HB2 ASP 38 2HB ASP 38 34.196 -10.667 0.667 288 HB3 ASP 38 3HB ASP 38 35.944 -10.634 0.448 289 H GLU 39 H GLU 39 33.920 -9.922 -2.490 290 HA GLU 39 HA GLU 39 36.439 -10.676 -3.705 291 HB2 GLU 39 2HB GLU 39 33.555 -11.168 -4.290 292 HB3 GLU 39 3HB GLU 39 34.708 -11.318 -5.609 293 HG2 GLU 39 2HG GLU 39 34.240 -13.459 -4.514 294 HG3 GLU 39 3HG GLU 39 35.938 -13.001 -4.405 295 H ASN 40 H ASN 40 37.128 -9.983 -5.784 296 HA ASN 40 HA ASN 40 36.058 -7.357 -6.584 297 HB2 ASN 40 2HB ASN 40 38.247 -7.081 -5.558 298 HB3 ASN 40 3HB ASN 40 38.931 -8.305 -6.625 299 HD21 ASN 40 1HD2 ASN 40 36.852 -5.463 -7.085 300 HD22 ASN 40 2HD2 ASN 40 37.821 -4.746 -8.323 301 H ASP 41 H ASP 41 36.498 -10.527 -7.485 302 HA ASP 41 HA ASP 41 37.212 -10.306 -10.204 303 HB2 ASP 41 2HB ASP 41 35.743 -12.401 -8.618 304 HB3 ASP 41 3HB ASP 41 35.978 -12.566 -10.357 305 H THR 42 H THR 42 36.064 -9.899 -12.011 306 HA THR 42 HA THR 42 33.560 -8.580 -11.790 307 HB THR 42 HB THR 42 33.591 -8.436 -14.219 308 HG1 THR 42 HG1 THR 42 35.207 -9.538 -15.396 309 HG21 THR 42 3HG2 THR 42 35.193 -7.081 -12.703 310 HG22 THR 42 1HG2 THR 42 35.471 -7.078 -14.444 311 HG23 THR 42 2HG2 THR 42 36.455 -8.099 -13.396 312 H ASP 43 H ASP 43 34.517 -11.852 -12.558 313 HA ASP 43 HA ASP 43 32.065 -12.707 -13.686 314 HB2 ASP 43 2HB ASP 43 33.936 -14.519 -12.181 315 HB3 ASP 43 3HB ASP 43 32.937 -14.890 -13.583 316 H VAL 44 H VAL 44 33.364 -12.821 -10.390 317 HA VAL 44 HA VAL 44 31.144 -14.186 -9.265 318 HB VAL 44 HB VAL 44 33.230 -12.441 -7.951 319 HG11 VAL 44 1HG1 VAL 44 30.799 -13.574 -6.903 320 HG12 VAL 44 2HG1 VAL 44 32.209 -14.265 -6.098 321 HG13 VAL 44 3HG1 VAL 44 31.973 -12.517 -6.119 322 HG21 VAL 44 3HG2 VAL 44 33.103 -15.279 -8.753 323 HG22 VAL 44 1HG2 VAL 44 34.492 -14.205 -8.586 324 HG23 VAL 44 2HG2 VAL 44 33.777 -14.950 -7.157 325 H MET 45 H MET 45 31.994 -10.770 -9.587 326 HA MET 45 HA MET 45 29.796 -9.799 -8.062 327 HB2 MET 45 2HB MET 45 31.843 -8.604 -9.865 328 HB3 MET 45 3HB MET 45 30.396 -7.662 -9.532 329 HG2 MET 45 2HG MET 45 30.972 -8.277 -7.042 330 HG3 MET 45 3HG MET 45 32.590 -8.483 -7.708 331 HE1 MET 45 3HE MET 45 29.929 -5.401 -8.851 332 HE2 MET 45 1HE MET 45 29.542 -6.386 -7.441 333 HE3 MET 45 2HE MET 45 30.109 -4.730 -7.230 334 H MET 46 H MET 46 30.375 -10.212 -11.537 335 HA MET 46 HA MET 46 27.901 -9.115 -12.371 336 HB2 MET 46 2HB MET 46 28.457 -9.859 -14.534 337 HB3 MET 46 3HB MET 46 30.001 -9.499 -13.773 338 HG2 MET 46 2HG MET 46 30.344 -11.866 -13.322 339 HG3 MET 46 3HG MET 46 28.784 -12.237 -14.053 340 HE1 MET 46 3HE MET 46 28.197 -10.998 -16.197 341 HE2 MET 46 1HE MET 46 29.296 -10.689 -17.541 342 HE3 MET 46 2HE MET 46 28.721 -12.327 -17.232 343 H ASP 47 H ASP 47 28.949 -12.374 -11.545 344 HA ASP 47 HA ASP 47 26.585 -13.686 -12.416 345 HB2 ASP 47 2HB ASP 47 28.896 -14.435 -10.662 346 HB3 ASP 47 3HB ASP 47 27.473 -15.472 -10.715 347 H PHE 48 H PHE 48 27.656 -12.395 -9.304 348 HA PHE 48 HA PHE 48 25.380 -13.315 -7.855 349 HB2 PHE 48 2HB PHE 48 27.393 -12.874 -6.630 350 HB3 PHE 48 3HB PHE 48 27.472 -11.225 -7.242 351 HD1 PHE 48 HD2 PHE 48 25.936 -9.513 -6.401 352 HD2 PHE 48 HD1 PHE 48 25.988 -13.452 -4.790 353 HE1 PHE 48 HE2 PHE 48 24.689 -8.721 -4.434 354 HE2 PHE 48 HE1 PHE 48 24.740 -12.667 -2.821 355 HZ PHE 48 HZ PHE 48 24.087 -10.299 -2.641 356 H ILE 49 H ILE 49 26.300 -10.193 -9.267 357 HA ILE 49 HA ILE 49 24.060 -8.738 -8.405 358 HB ILE 49 HB ILE 49 26.150 -8.370 -10.461 359 HG12 ILE 49 2HG1 ILE 49 26.105 -6.060 -9.410 360 HG13 ILE 49 3HG1 ILE 49 24.875 -6.674 -8.311 361 HG21 ILE 49 1HG2 ILE 49 24.907 -6.343 -11.343 362 HG22 ILE 49 2HG2 ILE 49 24.345 -7.916 -11.906 363 HG23 ILE 49 3HG2 ILE 49 23.452 -7.060 -10.650 364 HD11 ILE 49 3HD1 ILE 49 26.656 -7.080 -7.008 365 HD12 ILE 49 1HD1 ILE 49 26.764 -8.549 -7.979 366 HD13 ILE 49 2HD1 ILE 49 27.773 -7.156 -8.371 367 H SER 50 H SER 50 24.666 -10.424 -11.480 368 HA SER 50 HA SER 50 22.179 -9.821 -12.654 369 HB2 SER 50 2HB SER 50 24.344 -10.789 -13.725 370 HB3 SER 50 3HB SER 50 23.677 -12.356 -13.264 371 HG SER 50 HG SER 50 23.058 -11.748 -15.382 372 H ARG 51 H ARG 51 23.248 -12.477 -10.601 373 HA ARG 51 HA ARG 51 20.846 -13.996 -10.861 374 HB2 ARG 51 2HB ARG 51 23.224 -14.094 -9.037 375 HB3 ARG 51 3HB ARG 51 21.802 -15.063 -8.677 376 HG2 ARG 51 2HG ARG 51 23.118 -15.181 -11.364 377 HG3 ARG 51 3HG ARG 51 23.707 -16.140 -10.005 378 HD2 ARG 51 2HD ARG 51 20.806 -16.194 -10.718 379 HD3 ARG 51 3HD ARG 51 21.956 -17.143 -11.659 380 HE ARG 51 HE ARG 51 22.402 -17.671 -8.953 381 HH11 ARG 51 1HH1 ARG 51 19.945 -18.163 -11.369 382 HH12 ARG 51 2HH1 ARG 51 19.331 -19.608 -10.638 383 HH21 ARG 51 1HH2 ARG 51 21.603 -19.573 -7.981 384 HH22 ARG 51 2HH2 ARG 51 20.274 -20.409 -8.710 385 H PHE 52 H PHE 52 21.919 -11.413 -8.788 386 HA PHE 52 HA PHE 52 19.639 -11.748 -6.999 387 HB2 PHE 52 2HB PHE 52 22.184 -10.212 -6.925 388 HB3 PHE 52 3HB PHE 52 20.809 -9.525 -6.066 389 HD1 PHE 52 HD1 PHE 52 21.922 -13.053 -6.505 390 HD2 PHE 52 HD2 PHE 52 21.168 -9.842 -3.814 391 HE1 PHE 52 HE1 PHE 52 22.371 -14.546 -4.602 392 HE2 PHE 52 HE2 PHE 52 21.617 -11.330 -1.907 393 HZ PHE 52 HZ PHE 52 22.218 -13.686 -2.300 394 H ALA 53 H ALA 53 20.360 -10.189 -9.872 395 HA ALA 53 HA ALA 53 18.284 -8.149 -9.406 396 HB1 ALA 53 1HB ALA 53 20.730 -7.503 -10.047 397 HB2 ALA 53 2HB ALA 53 20.215 -7.954 -11.673 398 HB3 ALA 53 3HB ALA 53 19.368 -6.675 -10.803 399 H ARG 54 H ARG 54 17.872 -7.484 -12.101 400 HA ARG 54 HA ARG 54 16.741 -8.099 -13.985 401 HB2 ARG 54 2HB ARG 54 18.490 -10.085 -13.789 402 HB3 ARG 54 3HB ARG 54 17.042 -11.011 -13.415 403 HG2 ARG 54 2HG ARG 54 17.317 -11.261 -15.714 404 HG3 ARG 54 3HG ARG 54 16.068 -10.023 -15.558 405 HD2 ARG 54 2HD ARG 54 18.070 -8.369 -15.672 406 HD3 ARG 54 3HD ARG 54 18.932 -9.738 -16.372 407 HE ARG 54 HE ARG 54 16.541 -9.492 -17.756 408 HH11 ARG 54 1HH1 ARG 54 19.421 -7.614 -17.213 409 HH12 ARG 54 2HH1 ARG 54 19.337 -6.802 -18.741 410 HH21 ARG 54 1HH2 ARG 54 16.419 -8.430 -19.770 411 HH22 ARG 54 2HH2 ARG 54 17.628 -7.266 -20.194 412 H THR 55 H THR 55 15.203 -7.387 -11.988 413 HA THR 55 HA THR 55 13.152 -9.475 -11.681 414 HB THR 55 HB THR 55 12.266 -8.083 -9.821 415 HG1 THR 55 HG1 THR 55 14.681 -6.619 -9.889 416 HG21 THR 55 3HG2 THR 55 13.878 -8.755 -8.217 417 HG22 THR 55 1HG2 THR 55 15.189 -8.673 -9.393 418 HG23 THR 55 2HG2 THR 55 13.967 -9.939 -9.520 419 H ASP 56 H ASP 56 12.927 -5.940 -11.497 420 HA ASP 56 HA ASP 56 11.705 -5.431 -13.929 421 HB2 ASP 56 2HB ASP 56 9.998 -6.937 -12.285 422 HB3 ASP 56 3HB ASP 56 9.387 -5.287 -12.209 423 H GLU 57 H GLU 57 9.847 -3.513 -13.379 424 HA GLU 57 HA GLU 57 11.452 -1.554 -11.899 425 HB2 GLU 57 2HB GLU 57 10.348 0.149 -13.168 426 HB3 GLU 57 3HB GLU 57 10.862 -1.103 -14.290 427 HG2 GLU 57 2HG GLU 57 8.093 -1.112 -13.166 428 HG3 GLU 57 3HG GLU 57 8.511 -0.082 -14.534 429 H ILE 58 H ILE 58 9.397 0.352 -11.541 430 HA ILE 58 HA ILE 58 7.908 -0.931 -9.355 431 HB ILE 58 HB ILE 58 7.562 1.673 -8.830 432 HG12 ILE 58 2HG1 ILE 58 9.743 2.829 -9.252 433 HG13 ILE 58 3HG1 ILE 58 10.203 1.486 -10.293 434 HG21 ILE 58 1HG2 ILE 58 10.048 0.121 -8.118 435 HG22 ILE 58 2HG2 ILE 58 9.372 1.482 -7.223 436 HG23 ILE 58 3HG2 ILE 58 8.480 -0.036 -7.325 437 HD11 ILE 58 3HD1 ILE 58 9.205 3.657 -11.310 438 HD12 ILE 58 1HD1 ILE 58 8.722 2.082 -11.939 439 HD13 ILE 58 2HD1 ILE 58 7.665 2.949 -10.825 440 H MET 59 H MET 59 5.753 -1.041 -9.408 441 HA MET 59 HA MET 59 4.343 -0.133 -11.738 442 HB2 MET 59 2HB MET 59 3.849 -1.940 -9.508 443 HB3 MET 59 3HB MET 59 2.435 -0.972 -9.903 444 HG2 MET 59 2HG MET 59 2.972 -1.702 -12.347 445 HG3 MET 59 3HG MET 59 3.867 -2.995 -11.552 446 HE1 MET 59 3HE MET 59 0.518 -4.665 -12.802 447 HE2 MET 59 1HE MET 59 1.023 -3.143 -13.537 448 HE3 MET 59 2HE MET 59 2.222 -4.380 -13.159 449 HA PRO 60 HA PRO 60 2.619 3.653 -10.345 450 HB2 PRO 60 2HB PRO 60 0.028 3.494 -11.140 451 HB3 PRO 60 3HB PRO 60 1.369 3.708 -12.272 452 HG2 PRO 60 2HG PRO 60 -0.110 1.211 -11.538 453 HG3 PRO 60 3HG PRO 60 0.413 1.772 -13.137 454 HD2 PRO 60 2HD PRO 60 1.769 -0.107 -11.737 455 HD3 PRO 60 3HD PRO 60 2.576 1.041 -12.824 456 H GLU 61 H GLU 61 1.378 0.702 -9.123 457 HA GLU 61 HA GLU 61 -0.419 1.948 -7.220 458 HB2 GLU 61 2HB GLU 61 -1.082 -0.216 -6.613 459 HB3 GLU 61 3HB GLU 61 -0.757 -0.339 -8.336 460 HG2 GLU 61 2HG GLU 61 1.597 -1.104 -7.596 461 HG3 GLU 61 3HG GLU 61 0.827 -1.400 -6.038 462 H ASP 62 H ASP 62 2.875 1.060 -7.398 463 HA ASP 62 HA ASP 62 3.150 1.463 -4.491 464 HB2 ASP 62 2HB ASP 62 5.415 0.082 -5.624 465 HB3 ASP 62 3HB ASP 62 4.351 -0.417 -4.311 466 H LYS 63 H LYS 63 5.909 1.657 -4.387 467 HA LYS 63 HA LYS 63 6.749 3.712 -6.255 468 HB2 LYS 63 2HB LYS 63 7.434 5.063 -4.053 469 HB3 LYS 63 3HB LYS 63 5.900 5.315 -4.876 470 HG2 LYS 63 2HG LYS 63 4.691 4.248 -3.247 471 HG3 LYS 63 3HG LYS 63 6.060 3.263 -2.725 472 HD2 LYS 63 2HD LYS 63 5.852 4.774 -0.985 473 HD3 LYS 63 3HD LYS 63 7.082 5.538 -1.994 474 HE2 LYS 63 2HE LYS 63 4.177 6.181 -2.351 475 HE3 LYS 63 3HE LYS 63 5.128 6.973 -1.097 476 HZ1 LYS 63 3HZ LYS 63 6.692 7.212 -3.290 477 HZ2 LYS 63 1HZ LYS 63 5.658 8.412 -2.696 478 HZ3 LYS 63 2HZ LYS 63 5.141 7.389 -3.940 479 H THR 64 H THR 64 8.997 4.618 -5.291 480 HA THR 64 HA THR 64 10.550 2.231 -4.528 481 HB THR 64 HB THR 64 11.013 4.276 -6.611 482 HG1 THR 64 HG1 THR 64 11.831 2.494 -7.652 483 HG21 THR 64 3HG2 THR 64 13.518 3.836 -6.424 484 HG22 THR 64 1HG2 THR 64 13.192 3.313 -4.773 485 HG23 THR 64 2HG2 THR 64 12.822 4.966 -5.263 486 H VAL 65 H VAL 65 11.306 2.366 -2.528 487 HA VAL 65 HA VAL 65 11.245 4.505 -0.827 488 HB VAL 65 HB VAL 65 11.739 2.554 0.277 489 HG11 VAL 65 1HG1 VAL 65 13.683 1.068 -0.430 490 HG12 VAL 65 2HG1 VAL 65 12.277 1.107 -1.497 491 HG13 VAL 65 3HG1 VAL 65 13.727 2.022 -1.912 492 HG21 VAL 65 3HG2 VAL 65 13.449 4.540 0.682 493 HG22 VAL 65 1HG2 VAL 65 13.593 2.998 1.526 494 HG23 VAL 65 2HG2 VAL 65 14.601 3.330 0.118 495 H GLY 66 H GLY 66 13.864 3.606 -3.038 496 HA2 GLY 66 2HA GLY 66 14.768 6.012 -3.794 497 HA3 GLY 66 3HA GLY 66 15.480 5.868 -2.193 498 H PHE 67 H PHE 67 17.473 6.086 -3.543 499 HA PHE 67 HA PHE 67 18.365 3.415 -4.396 500 HB2 PHE 67 2HB PHE 67 19.634 4.368 -6.209 501 HB3 PHE 67 3HB PHE 67 17.971 4.928 -6.348 502 HD1 PHE 67 HD2 PHE 67 17.395 7.247 -5.883 503 HD2 PHE 67 HD1 PHE 67 21.423 5.883 -5.701 504 HE1 PHE 67 HE2 PHE 67 18.184 9.578 -5.934 505 HE2 PHE 67 HE1 PHE 67 22.218 8.211 -5.751 506 HZ PHE 67 HZ PHE 67 20.597 10.062 -5.867 507 H VAL 68 H VAL 68 20.501 2.873 -3.932 508 HA VAL 68 HA VAL 68 21.868 4.701 -2.064 509 HB VAL 68 HB VAL 68 21.993 1.682 -2.076 510 HG11 VAL 68 1HG1 VAL 68 23.978 2.217 -1.104 511 HG12 VAL 68 2HG1 VAL 68 23.419 3.805 -0.574 512 HG13 VAL 68 3HG1 VAL 68 22.939 2.358 0.314 513 HG21 VAL 68 3HG2 VAL 68 19.983 1.855 -1.088 514 HG22 VAL 68 1HG2 VAL 68 20.902 2.402 0.314 515 HG23 VAL 68 2HG2 VAL 68 20.175 3.580 -0.778 516 H VAL 69 H VAL 69 23.859 5.336 -2.585 517 HA VAL 69 HA VAL 69 25.180 4.022 -4.859 518 HB VAL 69 HB VAL 69 25.619 6.790 -3.729 519 HG11 VAL 69 1HG1 VAL 69 26.760 6.799 -6.186 520 HG12 VAL 69 2HG1 VAL 69 27.641 6.521 -4.682 521 HG13 VAL 69 3HG1 VAL 69 27.112 5.153 -5.661 522 HG21 VAL 69 3HG2 VAL 69 24.765 6.795 -6.438 523 HG22 VAL 69 1HG2 VAL 69 23.656 5.782 -5.514 524 HG23 VAL 69 2HG2 VAL 69 23.941 7.453 -5.024 525 H VAL 70 H VAL 70 26.856 2.761 -4.431 526 HA VAL 70 HA VAL 70 28.502 3.354 -2.058 527 HB VAL 70 HB VAL 70 27.834 0.607 -3.126 528 HG11 VAL 70 1HG1 VAL 70 28.891 0.063 -0.781 529 HG12 VAL 70 2HG1 VAL 70 29.910 0.298 -2.203 530 HG13 VAL 70 3HG1 VAL 70 29.706 1.606 -1.036 531 HG21 VAL 70 3HG2 VAL 70 26.414 2.323 -1.337 532 HG22 VAL 70 1HG2 VAL 70 26.005 0.693 -1.871 533 HG23 VAL 70 2HG2 VAL 70 27.016 0.926 -0.445 534 H ASN 71 H ASN 71 30.493 3.912 -2.613 535 HA ASN 71 HA ASN 71 31.660 2.734 -5.050 536 HB2 ASN 71 2HB ASN 71 32.325 5.431 -3.852 537 HB3 ASN 71 3HB ASN 71 32.919 4.776 -5.376 538 HD21 ASN 71 1HD2 ASN 71 30.620 6.702 -3.929 539 HD22 ASN 71 2HD2 ASN 71 29.510 6.829 -5.247 540 H ALA 72 H ALA 72 33.057 1.206 -4.464 541 HA ALA 72 HA ALA 72 34.368 1.133 -1.944 542 HB1 ALA 72 1HB ALA 72 35.470 -0.837 -2.751 543 HB2 ALA 72 2HB ALA 72 33.793 -0.872 -3.300 544 HB3 ALA 72 3HB ALA 72 35.079 -0.427 -4.422 545 H ASP 73 H ASP 73 35.300 2.221 -5.154 546 HA ASP 73 HA ASP 73 38.056 2.470 -4.762 547 HB2 ASP 73 2HB ASP 73 38.098 3.685 -6.741 548 HB3 ASP 73 3HB ASP 73 36.599 2.775 -6.909 549 H LYS 74 H LYS 74 35.402 4.625 -3.931 550 HA LYS 74 HA LYS 74 37.275 6.604 -2.870 551 HB2 LYS 74 2HB LYS 74 34.300 6.631 -3.352 552 HB3 LYS 74 3HB LYS 74 35.110 7.896 -2.437 553 HG2 LYS 74 2HG LYS 74 36.645 8.020 -4.556 554 HG3 LYS 74 3HG LYS 74 35.258 7.262 -5.342 555 HD2 LYS 74 2HD LYS 74 33.875 9.126 -4.237 556 HD3 LYS 74 3HD LYS 74 35.424 9.930 -3.975 557 HE2 LYS 74 2HE LYS 74 35.873 9.878 -6.366 558 HE3 LYS 74 3HE LYS 74 34.362 9.014 -6.647 559 HZ1 LYS 74 3HZ LYS 74 33.144 10.923 -5.836 560 HZ2 LYS 74 1HZ LYS 74 34.160 11.387 -7.107 561 HZ3 LYS 74 2HZ LYS 74 34.584 11.750 -5.510 562 H LYS 75 H LYS 75 35.435 3.958 -1.840 563 HA LYS 75 HA LYS 75 35.069 3.030 0.205 564 HB2 LYS 75 2HB LYS 75 36.816 5.202 1.359 565 HB3 LYS 75 3HB LYS 75 36.495 3.609 2.030 566 HG2 LYS 75 2HG LYS 75 37.582 2.811 -0.233 567 HG3 LYS 75 3HG LYS 75 38.322 4.412 -0.169 568 HD2 LYS 75 2HD LYS 75 39.303 3.944 1.965 569 HD3 LYS 75 3HD LYS 75 38.411 2.427 2.099 570 HE2 LYS 75 2HE LYS 75 40.381 2.982 -0.108 571 HE3 LYS 75 3HE LYS 75 40.845 2.244 1.425 572 HZ1 LYS 75 3HZ LYS 75 39.294 0.447 0.992 573 HZ2 LYS 75 1HZ LYS 75 40.409 0.580 -0.274 574 HZ3 LYS 75 2HZ LYS 75 38.832 1.159 -0.472 575 H LEU 76 H LEU 76 33.268 4.992 -0.805 576 HA LEU 76 HA LEU 76 32.055 5.832 1.722 577 HB2 LEU 76 2HB LEU 76 31.327 7.939 0.313 578 HB3 LEU 76 3HB LEU 76 32.835 7.906 1.224 579 HG LEU 76 HG LEU 76 33.996 7.270 -0.912 580 HD11 LEU 76 1HD1 LEU 76 32.228 6.403 -2.225 581 HD12 LEU 76 2HD1 LEU 76 32.737 7.903 -2.998 582 HD13 LEU 76 3HD1 LEU 76 31.266 7.868 -2.025 583 HD21 LEU 76 3HD2 LEU 76 33.393 9.691 -1.910 584 HD22 LEU 76 1HD2 LEU 76 34.434 9.448 -0.507 585 HD23 LEU 76 2HD2 LEU 76 32.735 9.863 -0.282 586 H MET 77 H MET 77 29.793 5.969 1.686 587 HA MET 77 HA MET 77 28.411 5.282 -0.786 588 HB2 MET 77 2HB MET 77 27.271 3.386 0.127 589 HB3 MET 77 3HB MET 77 28.994 3.135 0.369 590 HG2 MET 77 2HG MET 77 28.587 4.143 2.704 591 HG3 MET 77 3HG MET 77 26.888 3.803 2.380 592 HE1 MET 77 3HE MET 77 30.084 0.676 1.845 593 HE2 MET 77 1HE MET 77 30.257 2.428 1.735 594 HE3 MET 77 2HE MET 77 30.436 1.620 3.293 595 H SER 78 H SER 78 26.527 6.330 -0.970 596 HA SER 78 HA SER 78 25.382 7.539 1.463 597 HB2 SER 78 2HB SER 78 25.787 9.521 0.482 598 HB3 SER 78 3HB SER 78 26.204 8.755 -1.051 599 HG SER 78 HG SER 78 24.391 9.646 -1.663 600 H VAL 79 H VAL 79 23.207 7.400 1.767 601 HA VAL 79 HA VAL 79 21.699 5.855 -0.241 602 HB VAL 79 HB VAL 79 21.210 5.945 2.739 603 HG11 VAL 79 1HG1 VAL 79 20.009 3.704 1.544 604 HG12 VAL 79 2HG1 VAL 79 19.210 5.112 2.246 605 HG13 VAL 79 3HG1 VAL 79 19.603 5.085 0.526 606 HG21 VAL 79 3HG2 VAL 79 22.702 4.318 2.992 607 HG22 VAL 79 1HG2 VAL 79 21.922 3.359 1.734 608 HG23 VAL 79 2HG2 VAL 79 23.173 4.527 1.305 609 H SER 80 H SER 80 20.150 6.948 -1.235 610 HA SER 80 HA SER 80 18.927 9.240 0.156 611 HB2 SER 80 2HB SER 80 18.887 8.966 -2.830 612 HB3 SER 80 3HB SER 80 18.812 10.426 -1.843 613 HG SER 80 HG SER 80 21.033 9.986 -1.278 614 H PHE 81 H PHE 81 16.883 8.964 0.716 615 HA PHE 81 HA PHE 81 15.123 7.385 -1.018 616 HB2 PHE 81 2HB PHE 81 14.073 6.521 1.195 617 HB3 PHE 81 3HB PHE 81 15.547 5.761 0.603 618 HD1 PHE 81 HD2 PHE 81 14.456 8.535 2.842 619 HD2 PHE 81 HD1 PHE 81 17.290 5.455 2.068 620 HE1 PHE 81 HE2 PHE 81 15.558 9.014 4.989 621 HE2 PHE 81 HE1 PHE 81 18.396 5.929 4.214 622 HZ PHE 81 HZ PHE 81 17.530 7.710 5.678 623 H SER 82 H SER 82 12.949 7.986 -0.984 624 HA SER 82 HA SER 82 12.406 10.544 0.376 625 HB2 SER 82 2HB SER 82 11.744 9.550 -2.359 626 HB3 SER 82 3HB SER 82 10.593 10.627 -1.568 627 HG SER 82 HG SER 82 12.617 11.407 -2.892 628 H ASP 83 H ASP 83 10.263 10.912 1.143 629 HA ASP 83 HA ASP 83 8.772 10.033 2.748 630 HB2 ASP 83 2HB ASP 83 7.707 9.348 0.002 631 HB3 ASP 83 3HB ASP 83 6.731 9.348 1.468 632 H ILE 84 H ILE 84 9.958 8.369 3.787 633 HA ILE 84 HA ILE 84 9.184 5.660 2.919 634 HB ILE 84 HB ILE 84 11.264 4.791 3.838 635 HG12 ILE 84 2HG1 ILE 84 12.526 7.452 4.091 636 HG13 ILE 84 3HG1 ILE 84 11.360 7.046 5.345 637 HG21 ILE 84 1HG2 ILE 84 11.947 7.062 1.990 638 HG22 ILE 84 2HG2 ILE 84 12.717 5.481 2.106 639 HG23 ILE 84 3HG2 ILE 84 11.082 5.620 1.459 640 HD11 ILE 84 3HD1 ILE 84 12.729 4.807 5.429 641 HD12 ILE 84 1HD1 ILE 84 13.991 5.821 4.730 642 HD13 ILE 84 2HD1 ILE 84 13.274 6.250 6.283 643 H ASP 85 H ASP 85 9.801 4.134 4.975 644 HA ASP 85 HA ASP 85 8.341 5.309 7.250 645 HB2 ASP 85 2HB ASP 85 7.344 3.334 5.840 646 HB3 ASP 85 3HB ASP 85 8.467 2.353 6.779 647 H GLU 86 H GLU 86 8.999 4.760 9.359 648 HA GLU 86 HA GLU 86 11.782 4.617 9.746 649 HB2 GLU 86 2HB GLU 86 11.304 4.542 12.099 650 HB3 GLU 86 3HB GLU 86 10.155 5.635 11.340 651 HG2 GLU 86 2HG GLU 86 8.502 3.774 11.321 652 HG3 GLU 86 3HG GLU 86 9.650 2.815 12.254 653 H ASN 87 H ASN 87 9.346 2.171 9.466 654 HA ASN 87 HA ASN 87 10.605 0.045 10.782 655 HB2 ASN 87 2HB ASN 87 8.219 0.218 9.760 656 HB3 ASN 87 3HB ASN 87 8.985 -0.362 8.284 657 HD21 ASN 87 1HD2 ASN 87 8.554 -1.108 11.706 658 HD22 ASN 87 2HD2 ASN 87 8.613 -2.825 11.522 659 H MET 88 H MET 88 10.766 1.053 7.376 660 HA MET 88 HA MET 88 12.710 -0.965 6.725 661 HB2 MET 88 2HB MET 88 12.722 0.021 4.514 662 HB3 MET 88 3HB MET 88 11.062 -0.135 5.074 663 HG2 MET 88 2HG MET 88 10.867 2.174 5.468 664 HG3 MET 88 3HG MET 88 12.607 2.420 5.345 665 HE1 MET 88 3HE MET 88 11.978 -0.054 2.666 666 HE2 MET 88 1HE MET 88 10.297 0.235 3.115 667 HE3 MET 88 2HE MET 88 10.875 0.708 1.518 668 H LYS 89 H LYS 89 12.736 2.417 7.615 669 HA LYS 89 HA LYS 89 15.236 3.226 6.795 670 HB2 LYS 89 2HB LYS 89 13.625 4.720 7.877 671 HB3 LYS 89 3HB LYS 89 13.855 3.881 9.405 672 HG2 LYS 89 2HG LYS 89 15.347 5.474 9.846 673 HG3 LYS 89 3HG LYS 89 16.412 4.591 8.749 674 HD2 LYS 89 2HD LYS 89 16.522 6.696 7.841 675 HD3 LYS 89 3HD LYS 89 15.178 6.018 6.919 676 HE2 LYS 89 2HE LYS 89 14.307 8.049 7.558 677 HE3 LYS 89 3HE LYS 89 13.732 7.005 8.857 678 HZ1 LYS 89 3HZ LYS 89 14.686 9.112 9.655 679 HZ2 LYS 89 1HZ LYS 89 16.184 8.673 9.002 680 HZ3 LYS 89 2HZ LYS 89 15.509 7.762 10.257 681 H LYS 90 H LYS 90 14.373 1.282 9.609 682 HA LYS 90 HA LYS 90 16.850 1.257 10.897 683 HB2 LYS 90 2HB LYS 90 16.060 -0.628 12.108 684 HB3 LYS 90 3HB LYS 90 14.651 0.370 11.778 685 HG2 LYS 90 2HG LYS 90 13.760 -1.608 11.180 686 HG3 LYS 90 3HG LYS 90 14.551 -1.245 9.645 687 HD2 LYS 90 2HD LYS 90 15.090 -3.498 10.229 688 HD3 LYS 90 3HD LYS 90 16.541 -2.521 10.463 689 HE2 LYS 90 2HE LYS 90 16.293 -2.537 12.807 690 HE3 LYS 90 3HE LYS 90 14.636 -3.128 12.707 691 HZ1 LYS 90 3HZ LYS 90 16.398 -4.796 13.350 692 HZ2 LYS 90 1HZ LYS 90 16.937 -4.723 11.748 693 HZ3 LYS 90 2HZ LYS 90 15.367 -5.252 12.089 694 H VAL 91 H VAL 91 15.618 -0.697 8.237 695 HA VAL 91 HA VAL 91 17.837 -2.494 8.175 696 HB VAL 91 HB VAL 91 16.771 -3.559 6.482 697 HG11 VAL 91 1HG1 VAL 91 14.440 -3.502 6.755 698 HG12 VAL 91 2HG1 VAL 91 15.090 -2.957 8.303 699 HG13 VAL 91 3HG1 VAL 91 14.443 -1.785 7.155 700 HG21 VAL 91 3HG2 VAL 91 16.041 -0.842 5.406 701 HG22 VAL 91 1HG2 VAL 91 17.208 -1.991 4.750 702 HG23 VAL 91 2HG2 VAL 91 15.483 -2.353 4.687 703 H ILE 92 H ILE 92 17.024 0.515 6.539 704 HA ILE 92 HA ILE 92 19.135 0.443 4.648 705 HB ILE 92 HB ILE 92 17.938 2.988 5.706 706 HG12 ILE 92 2HG1 ILE 92 16.674 0.914 3.926 707 HG13 ILE 92 3HG1 ILE 92 15.996 1.693 5.351 708 HG21 ILE 92 1HG2 ILE 92 18.378 3.846 3.544 709 HG22 ILE 92 2HG2 ILE 92 19.827 2.971 4.036 710 HG23 ILE 92 3HG2 ILE 92 18.700 2.238 2.894 711 HD11 ILE 92 3HD1 ILE 92 16.418 2.878 2.626 712 HD12 ILE 92 1HD1 ILE 92 14.896 2.600 3.470 713 HD13 ILE 92 2HD1 ILE 92 16.012 3.838 4.048 714 H LYS 93 H LYS 93 18.791 2.036 7.805 715 HA LYS 93 HA LYS 93 21.348 3.241 7.805 716 HB2 LYS 93 2HB LYS 93 19.454 3.921 9.274 717 HB3 LYS 93 3HB LYS 93 19.673 2.435 10.189 718 HG2 LYS 93 2HG LYS 93 20.797 3.994 11.466 719 HG3 LYS 93 3HG LYS 93 22.095 3.266 10.518 720 HD2 LYS 93 2HD LYS 93 22.238 5.122 9.086 721 HD3 LYS 93 3HD LYS 93 20.672 5.749 9.605 722 HE2 LYS 93 2HE LYS 93 23.072 5.525 11.414 723 HE3 LYS 93 3HE LYS 93 22.667 6.980 10.503 724 HZ1 LYS 93 3HZ LYS 93 21.337 5.813 12.830 725 HZ2 LYS 93 1HZ LYS 93 20.363 6.591 11.686 726 HZ3 LYS 93 2HZ LYS 93 21.615 7.437 12.445 727 H ALA 94 H ALA 94 20.150 0.174 9.106 728 HA ALA 94 HA ALA 94 22.524 -0.616 10.393 729 HB1 ALA 94 1HB ALA 94 20.507 -1.732 10.958 730 HB2 ALA 94 2HB ALA 94 20.227 -2.215 9.285 731 HB3 ALA 94 3HB ALA 94 21.556 -2.929 10.198 732 H THR 95 H THR 95 21.367 -1.061 7.089 733 HA THR 95 HA THR 95 23.421 -2.830 6.264 734 HB THR 95 HB THR 95 21.719 -0.962 4.601 735 HG1 THR 95 HG1 THR 95 21.426 -3.669 5.420 736 HG21 THR 95 3HG2 THR 95 22.823 -1.653 2.793 737 HG22 THR 95 1HG2 THR 95 22.594 -3.340 3.249 738 HG23 THR 95 2HG2 THR 95 23.988 -2.445 3.853 739 H ALA 96 H ALA 96 23.023 0.688 5.983 740 HA ALA 96 HA ALA 96 25.419 1.157 4.565 741 HB1 ALA 96 1HB ALA 96 23.419 2.716 4.863 742 HB2 ALA 96 2HB ALA 96 24.144 3.151 6.412 743 HB3 ALA 96 3HB ALA 96 25.027 3.440 4.912 744 H GLU 97 H GLU 97 24.647 1.371 8.031 745 HA GLU 97 HA GLU 97 27.239 2.150 8.847 746 HB2 GLU 97 2HB GLU 97 26.472 1.932 11.032 747 HB3 GLU 97 3HB GLU 97 24.996 2.261 10.136 748 HG2 GLU 97 2HG GLU 97 24.309 0.529 11.446 749 HG3 GLU 97 3HG GLU 97 24.852 -0.351 10.018 750 H LYS 98 H LYS 98 25.744 -0.955 8.260 751 HA LYS 98 HA LYS 98 27.536 -2.630 9.587 752 HB2 LYS 98 2HB LYS 98 25.602 -2.910 7.373 753 HB3 LYS 98 3HB LYS 98 26.878 -4.119 7.411 754 HG2 LYS 98 2HG LYS 98 25.506 -3.570 9.968 755 HG3 LYS 98 3HG LYS 98 24.565 -4.385 8.717 756 HD2 LYS 98 2HD LYS 98 25.508 -6.271 9.465 757 HD3 LYS 98 3HD LYS 98 26.968 -5.719 8.640 758 HE2 LYS 98 2HE LYS 98 26.677 -4.501 11.252 759 HE3 LYS 98 3HE LYS 98 26.686 -6.261 11.350 760 HZ1 LYS 98 3HZ LYS 98 28.918 -5.412 11.512 761 HZ2 LYS 98 1HZ LYS 98 28.752 -4.564 10.057 762 HZ3 LYS 98 2HZ LYS 98 28.751 -6.256 10.055 763 H PHE 99 H PHE 99 27.737 -1.116 6.412 764 HA PHE 99 HA PHE 99 29.977 -2.507 5.450 765 HB2 PHE 99 2HB PHE 99 28.617 0.051 4.792 766 HB3 PHE 99 3HB PHE 99 30.267 -0.146 4.209 767 HD1 PHE 99 HD1 PHE 99 30.794 -2.246 2.853 768 HD2 PHE 99 HD2 PHE 99 26.836 -0.891 3.638 769 HE1 PHE 99 HE1 PHE 99 29.966 -3.575 0.955 770 HE2 PHE 99 HE2 PHE 99 26.002 -2.218 1.742 771 HZ PHE 99 HZ PHE 99 27.567 -3.563 0.398 772 H LYS 100 H LYS 100 29.672 0.235 7.599 773 HA LYS 100 HA LYS 100 32.318 1.163 7.522 774 HB2 LYS 100 2HB LYS 100 30.196 2.168 8.650 775 HB3 LYS 100 3HB LYS 100 30.684 1.207 10.040 776 HG2 LYS 100 2HG LYS 100 32.426 2.548 10.526 777 HG3 LYS 100 3HG LYS 100 32.794 2.867 8.830 778 HD2 LYS 100 2HD LYS 100 30.258 4.019 9.467 779 HD3 LYS 100 3HD LYS 100 31.443 4.534 10.670 780 HE2 LYS 100 2HE LYS 100 32.847 4.794 8.344 781 HE3 LYS 100 3HE LYS 100 31.215 5.216 7.829 782 HZ1 LYS 100 3HZ LYS 100 31.142 7.018 9.236 783 HZ2 LYS 100 1HZ LYS 100 32.765 7.039 8.758 784 HZ3 LYS 100 2HZ LYS 100 32.337 6.416 10.271 785 H ASN 101 H ASN 101 30.863 -1.557 9.137 786 HA ASN 101 HA ASN 101 32.844 -2.050 11.069 787 HB2 ASN 101 2HB ASN 101 31.033 -4.012 9.643 788 HB3 ASN 101 3HB ASN 101 31.950 -4.355 11.107 789 HD21 ASN 101 1HD2 ASN 101 30.575 -4.491 12.723 790 HD22 ASN 101 2HD2 ASN 101 29.298 -3.378 13.066 791 H LYS 102 H LYS 102 32.906 -2.346 7.680 792 HA LYS 102 HA LYS 102 35.198 -4.181 7.764 793 HB2 LYS 102 2HB LYS 102 33.105 -4.457 6.203 794 HB3 LYS 102 3HB LYS 102 33.923 -3.250 5.219 795 HG2 LYS 102 2HG LYS 102 34.542 -5.350 4.350 796 HG3 LYS 102 3HG LYS 102 35.940 -4.759 5.251 797 HD2 LYS 102 2HD LYS 102 34.756 -6.117 7.208 798 HD3 LYS 102 3HD LYS 102 34.112 -7.023 5.838 799 HE2 LYS 102 2HE LYS 102 37.020 -6.525 6.465 800 HE3 LYS 102 3HE LYS 102 36.156 -8.053 6.629 801 HZ1 LYS 102 3HZ LYS 102 35.689 -7.733 4.131 802 HZ2 LYS 102 1HZ LYS 102 37.218 -8.276 4.611 803 HZ3 LYS 102 2HZ LYS 102 36.994 -6.657 4.175 804 H GLY 103 H GLY 103 34.508 -0.925 7.683 805 HA2 GLY 103 2HA GLY 103 36.282 0.680 7.746 806 HA3 GLY 103 3HA GLY 103 37.203 -0.347 6.658 807 H PHE 104 H PHE 104 34.116 1.435 6.731 808 HA PHE 104 HA PHE 104 34.810 2.742 4.240 809 HB2 PHE 104 2HB PHE 104 32.401 0.927 4.459 810 HB3 PHE 104 3HB PHE 104 32.670 2.068 3.145 811 HD1 PHE 104 HD1 PHE 104 34.387 1.669 1.482 812 HD2 PHE 104 HD2 PHE 104 33.685 -1.103 4.634 813 HE1 PHE 104 HE1 PHE 104 35.690 -0.031 0.272 814 HE2 PHE 104 HE2 PHE 104 34.988 -2.807 3.430 815 HZ PHE 104 HZ PHE 104 35.993 -2.272 1.246 816 H LYS 105 H LYS 105 33.390 4.512 3.718 817 HA LYS 105 HA LYS 105 32.172 5.652 6.117 818 HB2 LYS 105 2HB LYS 105 33.800 7.032 4.937 819 HB3 LYS 105 3HB LYS 105 32.866 6.901 3.452 820 HG2 LYS 105 2HG LYS 105 32.402 9.028 4.360 821 HG3 LYS 105 3HG LYS 105 30.977 8.032 4.667 822 HD2 LYS 105 2HD LYS 105 31.241 8.990 6.728 823 HD3 LYS 105 3HD LYS 105 32.237 7.548 6.937 824 HE2 LYS 105 2HE LYS 105 33.466 9.420 7.771 825 HE3 LYS 105 3HE LYS 105 34.217 8.907 6.261 826 HZ1 LYS 105 3HZ LYS 105 33.996 11.319 6.405 827 HZ2 LYS 105 1HZ LYS 105 32.316 11.172 6.541 828 HZ3 LYS 105 2HZ LYS 105 33.094 10.697 5.116 829 H VAL 106 H VAL 106 30.042 6.069 6.331 830 HA VAL 106 HA VAL 106 28.305 5.573 4.003 831 HB VAL 106 HB VAL 106 27.407 3.828 5.047 832 HG11 VAL 106 1HG1 VAL 106 28.072 3.185 7.368 833 HG12 VAL 106 2HG1 VAL 106 29.427 3.439 6.267 834 HG13 VAL 106 3HG1 VAL 106 29.011 4.675 7.454 835 HG21 VAL 106 3HG2 VAL 106 25.887 4.206 6.902 836 HG22 VAL 106 1HG2 VAL 106 26.654 5.757 7.242 837 HG23 VAL 106 2HG2 VAL 106 25.762 5.525 5.738 838 H GLU 107 H GLU 107 26.760 7.055 3.629 839 HA GLU 107 HA GLU 107 26.195 9.034 5.731 840 HB2 GLU 107 2HB GLU 107 27.672 10.159 4.239 841 HB3 GLU 107 3HB GLU 107 26.827 9.540 2.827 842 HG2 GLU 107 2HG GLU 107 25.114 11.046 3.016 843 HG3 GLU 107 3HG GLU 107 25.336 11.247 4.753 844 H THR 108 H THR 108 24.111 9.892 5.760 845 HA THR 108 HA THR 108 22.167 8.503 4.032 846 HB THR 108 HB THR 108 20.544 8.632 5.869 847 HG1 THR 108 HG1 THR 108 20.952 9.817 7.573 848 HG21 THR 108 3HG2 THR 108 22.424 6.782 5.592 849 HG22 THR 108 1HG2 THR 108 21.292 6.755 6.943 850 HG23 THR 108 2HG2 THR 108 22.918 7.398 7.168 851 H ASP 109 H ASP 109 20.745 9.720 2.935 852 HA ASP 109 HA ASP 109 20.401 12.534 3.698 853 HB2 ASP 109 2HB ASP 109 21.985 11.792 1.575 854 HB3 ASP 109 3HB ASP 109 20.433 12.092 0.799 855 H MET 110 H MET 110 18.381 13.369 3.358 856 HA MET 110 HA MET 110 16.373 11.499 2.282 857 HB2 MET 110 2HB MET 110 14.752 12.560 3.808 858 HB3 MET 110 3HB MET 110 16.087 11.813 4.675 859 HG2 MET 110 2HG MET 110 16.959 13.819 5.349 860 HG3 MET 110 3HG MET 110 16.260 14.701 3.993 861 HE1 MET 110 3HE MET 110 12.806 15.532 4.839 862 HE2 MET 110 1HE MET 110 13.870 14.882 3.592 863 HE3 MET 110 2HE MET 110 12.809 13.802 4.496 Start of MODEL 17 1 H1 MET 1 H MET 1 2.274 -0.912 0.955 2 HA MET 1 HA MET 1 1.512 -0.703 -1.844 3 HB2 MET 1 2HB MET 1 3.247 1.334 -1.854 4 HB3 MET 1 3HB MET 1 1.515 1.565 -1.658 5 HG2 MET 1 2HG MET 1 2.771 2.886 -0.055 6 HG3 MET 1 3HG MET 1 1.783 1.671 0.753 7 HE1 MET 1 3HE MET 1 6.253 1.698 0.066 8 HE2 MET 1 1HE MET 1 5.498 0.330 -0.752 9 HE3 MET 1 2HE MET 1 4.969 1.973 -1.112 10 H THR 2 H THR 2 3.573 -0.484 -3.227 11 HA THR 2 HA THR 2 5.567 -2.334 -2.115 12 HB THR 2 HB THR 2 5.502 -1.712 -5.028 13 HG1 THR 2 HG1 THR 2 3.818 -3.273 -5.287 14 HG21 THR 2 3HG2 THR 2 6.374 -3.885 -3.231 15 HG22 THR 2 1HG2 THR 2 7.090 -3.298 -4.732 16 HG23 THR 2 2HG2 THR 2 5.707 -4.391 -4.783 17 H LEU 3 H LEU 3 7.522 -1.595 -1.633 18 HA LEU 3 HA LEU 3 8.433 0.901 -2.908 19 HB2 LEU 3 2HB LEU 3 8.021 0.383 -0.204 20 HB3 LEU 3 3HB LEU 3 9.767 0.278 -0.418 21 HG LEU 3 HG LEU 3 9.912 2.526 -1.129 22 HD11 LEU 3 1HD1 LEU 3 8.321 3.305 -2.470 23 HD12 LEU 3 2HD1 LEU 3 7.373 3.630 -1.020 24 HD13 LEU 3 3HD1 LEU 3 7.153 2.115 -1.895 25 HD21 LEU 3 3HD2 LEU 3 8.281 3.601 0.742 26 HD22 LEU 3 1HD2 LEU 3 9.840 2.857 1.094 27 HD23 LEU 3 2HD2 LEU 3 8.355 1.926 1.292 28 H CYS 4 H CYS 4 10.176 0.713 -4.139 29 HA CYS 4 HA CYS 4 12.024 -1.525 -3.625 30 HB2 CYS 4 2HB CYS 4 11.966 -2.152 -5.787 31 HB3 CYS 4 3HB CYS 4 10.484 -1.208 -5.875 32 HG CYS 4 HG CYS 4 11.588 1.011 -7.010 33 H ALA 5 H ALA 5 14.250 -1.160 -4.097 34 HA ALA 5 HA ALA 5 15.038 1.647 -4.429 35 HB1 ALA 5 1HB ALA 5 16.746 0.242 -2.543 36 HB2 ALA 5 2HB ALA 5 16.000 1.836 -2.426 37 HB3 ALA 5 3HB ALA 5 15.084 0.399 -1.973 38 H MET 6 H MET 6 16.979 1.977 -5.478 39 HA MET 6 HA MET 6 18.286 -0.444 -6.534 40 HB2 MET 6 2HB MET 6 17.070 0.736 -8.286 41 HB3 MET 6 3HB MET 6 17.896 2.234 -7.881 42 HG2 MET 6 2HG MET 6 20.053 0.976 -8.427 43 HG3 MET 6 3HG MET 6 19.005 -0.221 -9.185 44 HE1 MET 6 3HE MET 6 18.717 4.147 -9.978 45 HE2 MET 6 1HE MET 6 19.613 3.361 -8.678 46 HE3 MET 6 2HE MET 6 20.421 3.747 -10.197 47 H TYR 7 H TYR 7 20.361 -0.687 -6.038 48 HA TYR 7 HA TYR 7 21.897 1.696 -5.233 49 HB2 TYR 7 2HB TYR 7 22.957 0.488 -3.502 50 HB3 TYR 7 3HB TYR 7 21.252 0.073 -3.368 51 HD1 TYR 7 HD1 TYR 7 20.517 -2.111 -4.601 52 HD2 TYR 7 HD2 TYR 7 24.538 -1.208 -3.543 53 HE1 TYR 7 HE1 TYR 7 21.083 -4.501 -4.736 54 HE2 TYR 7 HE2 TYR 7 25.116 -3.595 -3.676 55 HH TYR 7 HH TYR 7 22.672 -6.055 -4.109 56 H ASN 8 H ASN 8 24.044 1.812 -5.868 57 HA ASN 8 HA ASN 8 24.873 -0.186 -7.870 58 HB2 ASN 8 2HB ASN 8 25.874 1.515 -9.172 59 HB3 ASN 8 3HB ASN 8 24.309 2.167 -8.697 60 HD21 ASN 8 1HD2 ASN 8 27.751 2.257 -8.076 61 HD22 ASN 8 2HD2 ASN 8 27.767 3.810 -7.320 62 H ILE 9 H ILE 9 26.814 -1.130 -7.632 63 HA ILE 9 HA ILE 9 28.538 -0.152 -5.450 64 HB ILE 9 HB ILE 9 29.408 -2.619 -5.579 65 HG12 ILE 9 2HG1 ILE 9 26.614 -2.848 -6.716 66 HG13 ILE 9 3HG1 ILE 9 28.113 -3.292 -7.526 67 HG21 ILE 9 1HG2 ILE 9 28.471 -2.717 -3.567 68 HG22 ILE 9 2HG2 ILE 9 27.594 -1.241 -3.966 69 HG23 ILE 9 3HG2 ILE 9 26.855 -2.813 -4.266 70 HD11 ILE 9 3HD1 ILE 9 28.478 -5.011 -5.779 71 HD12 ILE 9 1HD1 ILE 9 26.890 -4.619 -5.121 72 HD13 ILE 9 2HD1 ILE 9 27.031 -5.275 -6.753 73 H SER 10 H SER 10 30.582 0.376 -5.910 74 HA SER 10 HA SER 10 31.604 -0.299 -8.591 75 HB2 SER 10 2HB SER 10 31.107 2.183 -7.894 76 HB3 SER 10 3HB SER 10 32.637 2.043 -7.028 77 HG SER 10 HG SER 10 33.620 2.252 -8.861 78 H MET 11 H MET 11 33.324 -1.576 -8.650 79 HA MET 11 HA MET 11 34.753 -2.168 -6.189 80 HB2 MET 11 2HB MET 11 35.740 -4.010 -7.408 81 HB3 MET 11 3HB MET 11 34.003 -3.997 -7.682 82 HG2 MET 11 2HG MET 11 35.584 -2.509 -9.656 83 HG3 MET 11 3HG MET 11 35.865 -4.248 -9.621 84 HE1 MET 11 3HE MET 11 34.078 -3.835 -12.659 85 HE2 MET 11 1HE MET 11 33.446 -2.258 -12.183 86 HE3 MET 11 2HE MET 11 35.130 -2.668 -11.855 87 H ALA 12 H ALA 12 35.023 0.161 -8.438 88 HA ALA 12 HA ALA 12 37.557 1.023 -7.668 89 HB1 ALA 12 1HB ALA 12 38.047 0.328 -10.434 90 HB2 ALA 12 2HB ALA 12 39.044 0.047 -9.006 91 HB3 ALA 12 3HB ALA 12 37.778 -1.102 -9.437 92 H GLY 13 H GLY 13 38.467 2.382 -9.879 93 HA2 GLY 13 2HA GLY 13 36.389 4.387 -10.158 94 HA3 GLY 13 3HA GLY 13 38.060 4.533 -10.683 95 H SER 14 H SER 14 35.662 2.046 -11.486 96 HA SER 14 HA SER 14 35.699 2.988 -14.270 97 HB2 SER 14 2HB SER 14 36.124 0.149 -13.318 98 HB3 SER 14 3HB SER 14 35.757 0.574 -14.990 99 HG SER 14 HG SER 14 38.028 0.363 -14.534 100 H HIS 15 H HIS 15 33.892 2.190 -15.562 101 HA HIS 15 HA HIS 15 31.438 2.740 -14.771 102 HB2 HIS 15 2HB HIS 15 32.189 1.733 -17.013 103 HB3 HIS 15 3HB HIS 15 31.831 0.168 -16.290 104 HD1 HIS 15 HD1 HIS 15 29.701 3.227 -15.747 105 HD2 HIS 15 HD2 HIS 15 29.601 -0.371 -17.824 106 HE1 HIS 15 HE1 HIS 15 27.354 3.023 -16.626 107 HA PRO 16 HA PRO 16 30.966 0.001 -11.212 108 HB2 PRO 16 2HB PRO 16 28.880 1.381 -10.157 109 HB3 PRO 16 3HB PRO 16 30.563 1.880 -9.952 110 HG2 PRO 16 2HG PRO 16 28.508 2.891 -11.880 111 HG3 PRO 16 3HG PRO 16 29.684 3.805 -10.916 112 HD2 PRO 16 2HD PRO 16 30.065 3.252 -13.539 113 HD3 PRO 16 3HD PRO 16 31.408 3.378 -12.385 114 H THR 17 H THR 17 28.846 -0.941 -10.225 115 HA THR 17 HA THR 17 27.121 -1.793 -12.459 116 HB THR 17 HB THR 17 27.544 -3.407 -9.954 117 HG1 THR 17 HG1 THR 17 29.218 -3.112 -12.181 118 HG21 THR 17 3HG2 THR 17 26.216 -3.764 -12.560 119 HG22 THR 17 1HG2 THR 17 25.852 -4.488 -10.994 120 HG23 THR 17 2HG2 THR 17 27.150 -5.147 -11.991 121 H THR 18 H THR 18 24.983 -1.499 -12.289 122 HA THR 18 HA THR 18 23.957 -0.410 -9.758 123 HB THR 18 HB THR 18 22.249 -0.242 -12.160 124 HG1 THR 18 HG1 THR 18 23.501 1.217 -13.213 125 HG21 THR 18 3HG2 THR 18 23.142 1.938 -10.286 126 HG22 THR 18 1HG2 THR 18 21.851 0.809 -9.877 127 HG23 THR 18 2HG2 THR 18 21.682 1.874 -11.272 128 H ILE 19 H ILE 19 22.156 -1.258 -8.775 129 HA ILE 19 HA ILE 19 20.866 -3.578 -10.017 130 HB ILE 19 HB ILE 19 22.377 -3.563 -7.451 131 HG12 ILE 19 2HG1 ILE 19 21.939 -5.432 -9.762 132 HG13 ILE 19 3HG1 ILE 19 23.449 -4.761 -9.156 133 HG21 ILE 19 1HG2 ILE 19 19.889 -5.201 -7.915 134 HG22 ILE 19 2HG2 ILE 19 21.042 -5.452 -6.606 135 HG23 ILE 19 3HG2 ILE 19 20.114 -3.955 -6.688 136 HD11 ILE 19 3HD1 ILE 19 21.778 -6.925 -7.909 137 HD12 ILE 19 1HD1 ILE 19 23.390 -7.073 -8.609 138 HD13 ILE 19 2HD1 ILE 19 23.157 -6.163 -7.116 139 H CYS 20 H CYS 20 18.718 -3.677 -9.686 140 HA CYS 20 HA CYS 20 17.556 -1.838 -7.698 141 HB2 CYS 20 2HB CYS 20 15.601 -1.658 -9.298 142 HB3 CYS 20 3HB CYS 20 17.089 -0.882 -9.827 143 HG CYS 20 HG CYS 20 15.312 -2.687 -11.637 144 H VAL 21 H VAL 21 16.546 -2.897 -6.138 145 HA VAL 21 HA VAL 21 14.921 -5.238 -6.813 146 HB VAL 21 HB VAL 21 15.750 -6.437 -4.798 147 HG11 VAL 21 1HG1 VAL 21 17.565 -5.824 -7.097 148 HG12 VAL 21 2HG1 VAL 21 18.070 -6.938 -5.825 149 HG13 VAL 21 3HG1 VAL 21 16.623 -7.279 -6.776 150 HG21 VAL 21 3HG2 VAL 21 16.716 -4.200 -3.866 151 HG22 VAL 21 1HG2 VAL 21 17.538 -5.723 -3.526 152 HG23 VAL 21 2HG2 VAL 21 18.148 -4.655 -4.790 153 H VAL 22 H VAL 22 13.202 -5.639 -5.388 154 HA VAL 22 HA VAL 22 12.062 -3.353 -4.186 155 HB VAL 22 HB VAL 22 10.362 -4.945 -3.273 156 HG11 VAL 22 1HG1 VAL 22 9.671 -4.146 -5.296 157 HG12 VAL 22 2HG1 VAL 22 11.095 -4.747 -6.147 158 HG13 VAL 22 3HG1 VAL 22 9.804 -5.859 -5.691 159 HG21 VAL 22 3HG2 VAL 22 12.372 -6.808 -3.501 160 HG22 VAL 22 1HG2 VAL 22 10.667 -7.159 -3.219 161 HG23 VAL 22 2HG2 VAL 22 11.316 -7.198 -4.858 162 H MET 23 H MET 23 11.493 -3.030 -1.958 163 HA MET 23 HA MET 23 13.605 -3.194 -0.177 164 HB2 MET 23 2HB MET 23 11.979 -2.612 1.574 165 HB3 MET 23 3HB MET 23 11.754 -1.639 0.126 166 HG2 MET 23 2HG MET 23 9.598 -2.158 0.397 167 HG3 MET 23 3HG MET 23 10.054 -3.676 -0.373 168 HE1 MET 23 3HE MET 23 8.382 -2.892 3.652 169 HE2 MET 23 1HE MET 23 8.553 -1.870 2.225 170 HE3 MET 23 2HE MET 23 7.431 -3.230 2.205 171 H ASP 24 H ASP 24 10.951 -5.439 -0.711 172 HA ASP 24 HA ASP 24 11.252 -7.063 1.533 173 HB2 ASP 24 2HB ASP 24 9.360 -7.232 -0.038 174 HB3 ASP 24 3HB ASP 24 10.441 -7.897 -1.260 175 H ARG 25 H ARG 25 12.972 -7.073 -1.543 176 HA ARG 25 HA ARG 25 14.671 -9.263 -0.569 177 HB2 ARG 25 2HB ARG 25 14.405 -8.129 -3.360 178 HB3 ARG 25 3HB ARG 25 15.404 -9.502 -2.900 179 HG2 ARG 25 2HG ARG 25 13.326 -10.672 -2.168 180 HG3 ARG 25 3HG ARG 25 12.401 -9.334 -2.851 181 HD2 ARG 25 2HD ARG 25 13.617 -9.787 -5.026 182 HD3 ARG 25 3HD ARG 25 14.190 -11.281 -4.286 183 HE ARG 25 HE ARG 25 11.404 -11.159 -4.020 184 HH11 ARG 25 1HH1 ARG 25 13.834 -11.521 -6.486 185 HH12 ARG 25 2HH1 ARG 25 12.816 -12.449 -7.537 186 HH21 ARG 25 1HH2 ARG 25 10.054 -12.380 -5.395 187 HH22 ARG 25 2HH2 ARG 25 10.666 -12.936 -6.916 188 H PHE 26 H PHE 26 14.597 -5.929 -0.852 189 HA PHE 26 HA PHE 26 17.257 -5.344 -1.588 190 HB2 PHE 26 2HB PHE 26 15.347 -3.708 -1.522 191 HB3 PHE 26 3HB PHE 26 15.490 -3.702 0.233 192 HD1 PHE 26 HD1 PHE 26 18.225 -3.781 -2.268 193 HD2 PHE 26 HD2 PHE 26 16.155 -1.512 0.679 194 HE1 PHE 26 HE1 PHE 26 19.942 -2.025 -2.419 195 HE2 PHE 26 HE2 PHE 26 17.868 0.248 0.533 196 HZ PHE 26 HZ PHE 26 19.764 -0.007 -1.018 197 H LEU 27 H LEU 27 15.717 -5.791 1.576 198 HA LEU 27 HA LEU 27 17.933 -5.205 3.173 199 HB2 LEU 27 2HB LEU 27 15.873 -5.338 4.263 200 HB3 LEU 27 3HB LEU 27 15.505 -6.915 3.567 201 HG LEU 27 HG LEU 27 17.829 -6.769 5.399 202 HD11 LEU 27 1HD1 LEU 27 16.705 -5.798 7.054 203 HD12 LEU 27 2HD1 LEU 27 15.699 -7.246 7.099 204 HD13 LEU 27 3HD1 LEU 27 15.188 -5.847 6.154 205 HD21 LEU 27 3HD2 LEU 27 15.766 -8.710 4.527 206 HD22 LEU 27 1HD2 LEU 27 16.409 -8.887 6.160 207 HD23 LEU 27 2HD2 LEU 27 17.499 -8.928 4.774 208 H GLU 28 H GLU 28 16.802 -8.337 1.919 209 HA GLU 28 HA GLU 28 18.950 -9.827 3.027 210 HB2 GLU 28 2HB GLU 28 16.599 -10.572 2.070 211 HB3 GLU 28 3HB GLU 28 17.516 -10.765 0.583 212 HG2 GLU 28 2HG GLU 28 18.972 -12.357 1.604 213 HG3 GLU 28 3HG GLU 28 18.272 -12.052 3.193 214 H SER 29 H SER 29 18.319 -8.539 -0.220 215 HA SER 29 HA SER 29 20.544 -9.553 -1.530 216 HB2 SER 29 2HB SER 29 18.984 -7.001 -1.928 217 HB3 SER 29 3HB SER 29 20.310 -7.465 -2.995 218 HG SER 29 HG SER 29 18.325 -9.357 -2.467 219 H PHE 30 H PHE 30 20.229 -6.325 -0.043 220 HA PHE 30 HA PHE 30 22.857 -5.500 -0.401 221 HB2 PHE 30 2HB PHE 30 20.581 -4.468 0.821 222 HB3 PHE 30 3HB PHE 30 21.754 -4.578 2.130 223 HD1 PHE 30 HD1 PHE 30 24.219 -4.123 0.379 224 HD2 PHE 30 HD2 PHE 30 20.483 -2.106 0.681 225 HE1 PHE 30 HE1 PHE 30 25.282 -2.046 -0.400 226 HE2 PHE 30 HE2 PHE 30 21.540 -0.025 -0.099 227 HZ PHE 30 HZ PHE 30 23.943 0.007 -0.639 228 H SER 31 H SER 31 21.406 -7.163 2.385 229 HA SER 31 HA SER 31 23.623 -7.252 4.042 230 HB2 SER 31 2HB SER 31 21.421 -7.948 4.810 231 HB3 SER 31 3HB SER 31 21.437 -9.319 3.702 232 HG SER 31 HG SER 31 23.291 -8.910 5.813 233 H GLU 32 H GLU 32 22.668 -9.512 1.481 234 HA GLU 32 HA GLU 32 24.866 -11.278 1.890 235 HB2 GLU 32 2HB GLU 32 22.628 -11.771 0.729 236 HB3 GLU 32 3HB GLU 32 23.330 -10.997 -0.684 237 HG2 GLU 32 2HG GLU 32 23.697 -13.274 -1.009 238 HG3 GLU 32 3HG GLU 32 25.245 -12.650 -0.443 239 H LEU 33 H LEU 33 24.250 -8.561 -0.277 240 HA LEU 33 HA LEU 33 26.448 -8.805 -1.961 241 HB2 LEU 33 2HB LEU 33 24.609 -7.229 -2.319 242 HB3 LEU 33 3HB LEU 33 25.156 -6.279 -0.939 243 HG LEU 33 HG LEU 33 25.716 -5.456 -3.311 244 HD11 LEU 33 1HD1 LEU 33 26.756 -4.881 -0.955 245 HD12 LEU 33 2HD1 LEU 33 27.446 -4.247 -2.449 246 HD13 LEU 33 3HD1 LEU 33 28.180 -5.645 -1.662 247 HD21 LEU 33 3HD2 LEU 33 27.773 -7.638 -2.987 248 HD22 LEU 33 1HD2 LEU 33 27.836 -6.357 -4.198 249 HD23 LEU 33 2HD2 LEU 33 26.527 -7.538 -4.231 250 H TYR 34 H TYR 34 26.200 -7.409 1.260 251 HA TYR 34 HA TYR 34 28.762 -6.215 1.321 252 HB2 TYR 34 2HB TYR 34 27.175 -5.489 2.936 253 HB3 TYR 34 3HB TYR 34 26.883 -7.132 3.496 254 HD1 TYR 34 HD2 TYR 34 29.206 -4.288 3.597 255 HD2 TYR 34 HD1 TYR 34 28.379 -8.197 5.060 256 HE1 TYR 34 HE2 TYR 34 30.900 -3.983 5.354 257 HE2 TYR 34 HE1 TYR 34 30.069 -7.902 6.822 258 HH TYR 34 HH TYR 34 31.145 -5.955 8.033 259 H ASP 35 H ASP 35 27.616 -9.456 1.937 260 HA ASP 35 HA ASP 35 30.021 -10.368 3.199 261 HB2 ASP 35 2HB ASP 35 27.413 -11.397 2.726 262 HB3 ASP 35 3HB ASP 35 28.567 -12.537 2.038 263 H ILE 36 H ILE 36 28.779 -10.269 -0.074 264 HA ILE 36 HA ILE 36 31.020 -11.835 -1.083 265 HB ILE 36 HB ILE 36 28.885 -12.306 -2.094 266 HG12 ILE 36 2HG1 ILE 36 31.165 -11.857 -3.479 267 HG13 ILE 36 3HG1 ILE 36 29.689 -12.475 -4.212 268 HG21 ILE 36 1HG2 ILE 36 27.732 -10.535 -3.448 269 HG22 ILE 36 2HG2 ILE 36 27.679 -10.294 -1.702 270 HG23 ILE 36 3HG2 ILE 36 28.801 -9.356 -2.688 271 HD11 ILE 36 3HD1 ILE 36 29.138 -10.391 -5.117 272 HD12 ILE 36 1HD1 ILE 36 30.282 -9.541 -4.079 273 HD13 ILE 36 2HD1 ILE 36 30.872 -10.565 -5.389 274 H ILE 37 H ILE 37 30.217 -8.588 -0.507 275 HA ILE 37 HA ILE 37 31.450 -7.216 -2.581 276 HB ILE 37 HB ILE 37 30.123 -6.251 -0.627 277 HG12 ILE 37 2HG1 ILE 37 31.479 -4.102 -0.675 278 HG13 ILE 37 3HG1 ILE 37 32.674 -4.979 -1.625 279 HG21 ILE 37 1HG2 ILE 37 32.038 -7.343 0.922 280 HG22 ILE 37 2HG2 ILE 37 32.648 -5.695 0.783 281 HG23 ILE 37 3HG2 ILE 37 31.030 -5.985 1.421 282 HD11 ILE 37 3HD1 ILE 37 30.501 -5.522 -3.073 283 HD12 ILE 37 1HD1 ILE 37 30.007 -3.975 -2.385 284 HD13 ILE 37 2HD1 ILE 37 31.495 -4.087 -3.325 285 H ASP 38 H ASP 38 32.845 -9.107 -0.064 286 HA ASP 38 HA ASP 38 35.413 -7.947 0.042 287 HB2 ASP 38 2HB ASP 38 34.798 -9.441 1.791 288 HB3 ASP 38 3HB ASP 38 34.414 -10.728 0.651 289 H GLU 39 H GLU 39 33.877 -9.984 -2.279 290 HA GLU 39 HA GLU 39 36.303 -10.960 -3.474 291 HB2 GLU 39 2HB GLU 39 33.395 -11.190 -4.015 292 HB3 GLU 39 3HB GLU 39 34.468 -11.383 -5.394 293 HG2 GLU 39 2HG GLU 39 34.360 -13.540 -4.723 294 HG3 GLU 39 3HG GLU 39 35.719 -13.014 -3.731 295 H ASN 40 H ASN 40 37.156 -10.373 -5.499 296 HA ASN 40 HA ASN 40 36.390 -7.674 -6.400 297 HB2 ASN 40 2HB ASN 40 38.636 -7.846 -5.280 298 HB3 ASN 40 3HB ASN 40 39.144 -8.905 -6.593 299 HD21 ASN 40 1HD2 ASN 40 38.108 -5.668 -5.765 300 HD22 ASN 40 2HD2 ASN 40 38.770 -4.893 -7.160 301 H ASP 41 H ASP 41 36.641 -10.928 -7.236 302 HA ASP 41 HA ASP 41 37.312 -10.766 -9.969 303 HB2 ASP 41 2HB ASP 41 36.016 -12.783 -8.208 304 HB3 ASP 41 3HB ASP 41 35.788 -12.964 -9.945 305 H THR 42 H THR 42 36.144 -10.349 -11.762 306 HA THR 42 HA THR 42 33.659 -8.977 -11.488 307 HB THR 42 HB THR 42 33.675 -8.887 -13.971 308 HG1 THR 42 HG1 THR 42 36.207 -10.150 -13.885 309 HG21 THR 42 3HG2 THR 42 36.463 -8.209 -13.216 310 HG22 THR 42 1HG2 THR 42 35.169 -7.460 -12.282 311 HG23 THR 42 2HG2 THR 42 35.242 -7.232 -14.030 312 H ASP 43 H ASP 43 34.590 -12.238 -12.294 313 HA ASP 43 HA ASP 43 32.172 -13.068 -13.497 314 HB2 ASP 43 2HB ASP 43 34.520 -14.233 -13.371 315 HB3 ASP 43 3HB ASP 43 33.867 -14.955 -11.903 316 H VAL 44 H VAL 44 33.352 -13.288 -10.152 317 HA VAL 44 HA VAL 44 31.014 -14.546 -9.141 318 HB VAL 44 HB VAL 44 33.124 -14.713 -7.944 319 HG11 VAL 44 1HG1 VAL 44 32.840 -11.765 -7.372 320 HG12 VAL 44 2HG1 VAL 44 34.127 -12.832 -6.807 321 HG13 VAL 44 3HG1 VAL 44 33.974 -12.466 -8.526 322 HG21 VAL 44 3HG2 VAL 44 30.626 -13.983 -6.784 323 HG22 VAL 44 1HG2 VAL 44 31.874 -15.050 -6.142 324 HG23 VAL 44 2HG2 VAL 44 31.926 -13.322 -5.792 325 H MET 45 H MET 45 32.068 -11.189 -9.391 326 HA MET 45 HA MET 45 29.924 -10.103 -7.869 327 HB2 MET 45 2HB MET 45 32.236 -9.121 -9.266 328 HB3 MET 45 3HB MET 45 30.833 -8.152 -9.695 329 HG2 MET 45 2HG MET 45 30.450 -8.157 -7.095 330 HG3 MET 45 3HG MET 45 32.180 -8.486 -7.071 331 HE1 MET 45 3HE MET 45 30.121 -4.637 -7.284 332 HE2 MET 45 1HE MET 45 29.611 -5.535 -8.714 333 HE3 MET 45 2HE MET 45 29.460 -6.264 -7.115 334 H MET 46 H MET 46 30.497 -10.502 -11.348 335 HA MET 46 HA MET 46 28.090 -9.264 -12.178 336 HB2 MET 46 2HB MET 46 28.612 -10.016 -14.348 337 HB3 MET 46 3HB MET 46 30.170 -9.744 -13.578 338 HG2 MET 46 2HG MET 46 30.401 -12.125 -13.159 339 HG3 MET 46 3HG MET 46 28.817 -12.416 -13.874 340 HE1 MET 46 3HE MET 46 32.407 -10.772 -16.249 341 HE2 MET 46 1HE MET 46 31.713 -10.048 -14.798 342 HE3 MET 46 2HE MET 46 32.645 -11.541 -14.679 343 H ASP 47 H ASP 47 28.955 -12.589 -11.397 344 HA ASP 47 HA ASP 47 26.523 -13.755 -12.290 345 HB2 ASP 47 2HB ASP 47 28.518 -15.115 -12.015 346 HB3 ASP 47 3HB ASP 47 28.571 -14.742 -10.294 347 H PHE 48 H PHE 48 27.660 -12.589 -9.148 348 HA PHE 48 HA PHE 48 25.316 -13.388 -7.732 349 HB2 PHE 48 2HB PHE 48 27.324 -13.126 -6.468 350 HB3 PHE 48 3HB PHE 48 27.563 -11.487 -7.065 351 HD1 PHE 48 HD2 PHE 48 26.153 -9.650 -6.244 352 HD2 PHE 48 HD1 PHE 48 25.878 -13.581 -4.634 353 HE1 PHE 48 HE2 PHE 48 24.958 -8.761 -4.286 354 HE2 PHE 48 HE1 PHE 48 24.682 -12.698 -2.674 355 HZ PHE 48 HZ PHE 48 24.219 -10.285 -2.498 356 H ILE 49 H ILE 49 26.449 -10.325 -9.107 357 HA ILE 49 HA ILE 49 24.336 -8.715 -8.203 358 HB ILE 49 HB ILE 49 26.432 -8.483 -10.265 359 HG12 ILE 49 2HG1 ILE 49 26.568 -6.189 -9.222 360 HG13 ILE 49 3HG1 ILE 49 25.259 -6.672 -8.148 361 HG21 ILE 49 1HG2 ILE 49 24.656 -7.922 -11.714 362 HG22 ILE 49 2HG2 ILE 49 23.829 -6.994 -10.464 363 HG23 ILE 49 3HG2 ILE 49 25.329 -6.387 -11.164 364 HD11 ILE 49 3HD1 ILE 49 28.102 -7.363 -8.093 365 HD12 ILE 49 1HD1 ILE 49 26.927 -7.260 -6.782 366 HD13 ILE 49 2HD1 ILE 49 27.004 -8.708 -7.787 367 H SER 50 H SER 50 24.769 -10.436 -11.285 368 HA SER 50 HA SER 50 22.323 -9.632 -12.430 369 HB2 SER 50 2HB SER 50 24.400 -10.767 -13.523 370 HB3 SER 50 3HB SER 50 23.602 -12.274 -13.073 371 HG SER 50 HG SER 50 22.860 -10.350 -14.951 372 H ARG 51 H ARG 51 23.208 -12.363 -10.390 373 HA ARG 51 HA ARG 51 20.687 -13.688 -10.626 374 HB2 ARG 51 2HB ARG 51 22.894 -14.762 -9.989 375 HB3 ARG 51 3HB ARG 51 22.699 -14.024 -8.404 376 HG2 ARG 51 2HG ARG 51 21.060 -15.456 -7.782 377 HG3 ARG 51 3HG ARG 51 20.431 -15.623 -9.422 378 HD2 ARG 51 2HD ARG 51 22.450 -16.973 -9.983 379 HD3 ARG 51 3HD ARG 51 22.907 -16.908 -8.281 380 HE ARG 51 HE ARG 51 21.361 -18.531 -7.855 381 HH11 ARG 51 1HH1 ARG 51 20.626 -17.063 -10.925 382 HH12 ARG 51 2HH1 ARG 51 19.362 -18.184 -11.306 383 HH21 ARG 51 1HH2 ARG 51 19.699 -20.015 -8.346 384 HH22 ARG 51 2HH2 ARG 51 18.835 -19.863 -9.838 385 H PHE 52 H PHE 52 22.007 -11.222 -8.554 386 HA PHE 52 HA PHE 52 19.715 -11.377 -6.748 387 HB2 PHE 52 2HB PHE 52 22.402 -10.099 -6.642 388 HB3 PHE 52 3HB PHE 52 21.101 -9.334 -5.736 389 HD1 PHE 52 HD1 PHE 52 22.020 -12.898 -6.349 390 HD2 PHE 52 HD2 PHE 52 21.323 -9.809 -3.504 391 HE1 PHE 52 HE1 PHE 52 22.351 -14.511 -4.521 392 HE2 PHE 52 HE2 PHE 52 21.653 -11.417 -1.672 393 HZ PHE 52 HZ PHE 52 22.167 -13.772 -2.179 394 H ALA 53 H ALA 53 20.515 -9.894 -9.607 395 HA ALA 53 HA ALA 53 19.120 -7.394 -9.075 396 HB1 ALA 53 1HB ALA 53 19.605 -7.198 -11.668 397 HB2 ALA 53 2HB ALA 53 20.859 -6.898 -10.464 398 HB3 ALA 53 3HB ALA 53 20.787 -8.452 -11.294 399 H ARG 54 H ARG 54 17.355 -6.688 -10.477 400 HA ARG 54 HA ARG 54 15.853 -8.753 -11.856 401 HB2 ARG 54 2HB ARG 54 15.256 -8.679 -9.317 402 HB3 ARG 54 3HB ARG 54 14.396 -7.205 -9.742 403 HG2 ARG 54 2HG ARG 54 12.733 -8.772 -9.917 404 HG3 ARG 54 3HG ARG 54 13.314 -8.700 -11.582 405 HD2 ARG 54 2HD ARG 54 14.509 -10.663 -9.673 406 HD3 ARG 54 3HD ARG 54 12.946 -11.006 -10.414 407 HE ARG 54 HE ARG 54 14.526 -10.334 -12.518 408 HH11 ARG 54 1HH1 ARG 54 14.791 -12.644 -9.928 409 HH12 ARG 54 2HH1 ARG 54 15.715 -13.777 -10.858 410 HH21 ARG 54 1HH2 ARG 54 15.743 -11.816 -13.753 411 HH22 ARG 54 2HH2 ARG 54 16.257 -13.304 -13.033 412 H THR 55 H THR 55 15.129 -7.895 -13.679 413 HA THR 55 HA THR 55 15.176 -5.063 -14.117 414 HB THR 55 HB THR 55 14.457 -5.562 -16.385 415 HG1 THR 55 HG1 THR 55 13.423 -7.356 -16.848 416 HG21 THR 55 3HG2 THR 55 16.629 -6.007 -16.664 417 HG22 THR 55 1HG2 THR 55 16.210 -7.715 -16.540 418 HG23 THR 55 2HG2 THR 55 16.730 -6.828 -15.107 419 H ASP 56 H ASP 56 13.565 -4.840 -12.231 420 HA ASP 56 HA ASP 56 10.858 -4.727 -13.381 421 HB2 ASP 56 2HB ASP 56 11.633 -5.538 -10.574 422 HB3 ASP 56 3HB ASP 56 9.985 -5.152 -11.061 423 H GLU 57 H GLU 57 9.820 -2.826 -13.178 424 HA GLU 57 HA GLU 57 11.251 -0.666 -11.814 425 HB2 GLU 57 2HB GLU 57 10.014 0.858 -13.183 426 HB3 GLU 57 3HB GLU 57 10.617 -0.424 -14.224 427 HG2 GLU 57 2HG GLU 57 8.287 -1.498 -13.789 428 HG3 GLU 57 3HG GLU 57 7.827 0.145 -13.345 429 H ILE 58 H ILE 58 9.177 1.128 -11.451 430 HA ILE 58 HA ILE 58 7.659 -0.182 -9.296 431 HB ILE 58 HB ILE 58 7.371 2.406 -8.683 432 HG12 ILE 58 2HG1 ILE 58 9.579 3.530 -9.042 433 HG13 ILE 58 3HG1 ILE 58 10.024 2.214 -10.124 434 HG21 ILE 58 1HG2 ILE 58 9.848 0.833 -7.996 435 HG22 ILE 58 2HG2 ILE 58 9.100 2.110 -7.038 436 HG23 ILE 58 3HG2 ILE 58 8.263 0.575 -7.267 437 HD11 ILE 58 3HD1 ILE 58 9.084 4.437 -11.079 438 HD12 ILE 58 1HD1 ILE 58 8.570 2.895 -11.764 439 HD13 ILE 58 2HD1 ILE 58 7.523 3.750 -10.631 440 H MET 59 H MET 59 5.499 -0.214 -9.366 441 HA MET 59 HA MET 59 4.146 0.772 -11.694 442 HB2 MET 59 2HB MET 59 3.547 -1.010 -9.458 443 HB3 MET 59 3HB MET 59 2.176 -0.009 -9.919 444 HG2 MET 59 2HG MET 59 2.658 -0.778 -12.309 445 HG3 MET 59 3HG MET 59 3.669 -2.014 -11.566 446 HE1 MET 59 3HE MET 59 1.386 -4.598 -12.016 447 HE2 MET 59 1HE MET 59 3.015 -3.949 -11.827 448 HE3 MET 59 2HE MET 59 2.126 -4.522 -10.416 449 HA PRO 60 HA PRO 60 2.525 4.599 -10.290 450 HB2 PRO 60 2HB PRO 60 -0.077 4.514 -11.058 451 HB3 PRO 60 3HB PRO 60 1.257 4.689 -12.204 452 HG2 PRO 60 2HG PRO 60 -0.287 2.236 -11.452 453 HG3 PRO 60 3HG PRO 60 0.236 2.781 -13.057 454 HD2 PRO 60 2HD PRO 60 1.552 0.864 -11.669 455 HD3 PRO 60 3HD PRO 60 2.381 1.987 -12.766 456 H GLU 61 H GLU 61 1.010 1.691 -9.160 457 HA GLU 61 HA GLU 61 -0.567 3.060 -7.146 458 HB2 GLU 61 2HB GLU 61 -1.525 0.979 -6.651 459 HB3 GLU 61 3HB GLU 61 -1.254 0.921 -8.387 460 HG2 GLU 61 2HG GLU 61 1.036 -0.164 -7.611 461 HG3 GLU 61 3HG GLU 61 0.060 -0.592 -6.208 462 H ASP 62 H ASP 62 2.568 1.767 -7.467 463 HA ASP 62 HA ASP 62 2.916 1.741 -4.541 464 HB2 ASP 62 2HB ASP 62 4.901 0.500 -6.412 465 HB3 ASP 62 3HB ASP 62 4.541 0.092 -4.737 466 H LYS 63 H LYS 63 5.727 1.828 -4.559 467 HA LYS 63 HA LYS 63 6.516 4.239 -5.963 468 HB2 LYS 63 2HB LYS 63 7.319 4.750 -3.316 469 HB3 LYS 63 3HB LYS 63 6.150 5.649 -4.273 470 HG2 LYS 63 2HG LYS 63 4.352 4.257 -3.441 471 HG3 LYS 63 3HG LYS 63 5.506 3.274 -2.537 472 HD2 LYS 63 2HD LYS 63 5.795 4.852 -0.925 473 HD3 LYS 63 3HD LYS 63 5.550 6.195 -2.044 474 HE2 LYS 63 2HE LYS 63 3.098 4.903 -1.981 475 HE3 LYS 63 3HE LYS 63 3.654 4.849 -0.309 476 HZ1 LYS 63 3HZ LYS 63 2.921 6.924 -0.147 477 HZ2 LYS 63 1HZ LYS 63 2.678 7.062 -1.816 478 HZ3 LYS 63 2HZ LYS 63 4.197 7.399 -1.151 479 H THR 64 H THR 64 8.837 4.873 -4.928 480 HA THR 64 HA THR 64 10.361 2.352 -4.791 481 HB THR 64 HB THR 64 10.703 4.700 -6.520 482 HG1 THR 64 HG1 THR 64 11.869 3.039 -7.711 483 HG21 THR 64 3HG2 THR 64 12.540 5.240 -5.099 484 HG22 THR 64 1HG2 THR 64 13.210 4.440 -6.520 485 HG23 THR 64 2HG2 THR 64 13.044 3.554 -5.005 486 H VAL 65 H VAL 65 11.538 2.079 -3.016 487 HA VAL 65 HA VAL 65 11.551 3.761 -0.836 488 HB VAL 65 HB VAL 65 13.920 2.004 -1.384 489 HG11 VAL 65 1HG1 VAL 65 12.338 2.754 1.065 490 HG12 VAL 65 2HG1 VAL 65 13.574 1.495 1.053 491 HG13 VAL 65 3HG1 VAL 65 14.011 3.164 0.689 492 HG21 VAL 65 3HG2 VAL 65 11.163 1.192 -1.491 493 HG22 VAL 65 1HG2 VAL 65 12.623 0.238 -1.758 494 HG23 VAL 65 2HG2 VAL 65 11.978 0.427 -0.127 495 H GLY 66 H GLY 66 14.032 3.475 -3.369 496 HA2 GLY 66 2HA GLY 66 14.745 6.006 -3.782 497 HA3 GLY 66 3HA GLY 66 15.513 5.710 -2.229 498 H PHE 67 H PHE 67 17.453 6.261 -3.545 499 HA PHE 67 HA PHE 67 18.514 3.822 -4.807 500 HB2 PHE 67 2HB PHE 67 19.854 5.335 -6.304 501 HB3 PHE 67 3HB PHE 67 18.119 5.361 -6.602 502 HD1 PHE 67 HD1 PHE 67 20.970 7.238 -5.266 503 HD2 PHE 67 HD2 PHE 67 16.814 7.325 -6.180 504 HE1 PHE 67 HE1 PHE 67 20.967 9.684 -5.005 505 HE2 PHE 67 HE2 PHE 67 16.805 9.772 -5.922 506 HZ PHE 67 HZ PHE 67 18.883 10.955 -5.332 507 H VAL 68 H VAL 68 20.545 3.217 -4.228 508 HA VAL 68 HA VAL 68 21.939 4.943 -2.285 509 HB VAL 68 HB VAL 68 21.980 1.923 -2.382 510 HG11 VAL 68 1HG1 VAL 68 22.991 2.316 -0.052 511 HG12 VAL 68 2HG1 VAL 68 24.020 2.579 -1.461 512 HG13 VAL 68 3HG1 VAL 68 23.304 3.955 -0.620 513 HG21 VAL 68 3HG2 VAL 68 19.883 2.301 -1.540 514 HG22 VAL 68 1HG2 VAL 68 20.832 2.385 -0.056 515 HG23 VAL 68 2HG2 VAL 68 20.318 3.869 -0.859 516 H VAL 69 H VAL 69 23.979 5.495 -2.728 517 HA VAL 69 HA VAL 69 25.277 4.213 -5.038 518 HB VAL 69 HB VAL 69 25.916 6.912 -3.844 519 HG11 VAL 69 1HG1 VAL 69 27.541 7.120 -5.381 520 HG12 VAL 69 2HG1 VAL 69 27.473 5.357 -5.439 521 HG13 VAL 69 3HG1 VAL 69 26.597 6.314 -6.634 522 HG21 VAL 69 3HG2 VAL 69 24.813 7.671 -6.065 523 HG22 VAL 69 1HG2 VAL 69 24.017 6.098 -6.007 524 HG23 VAL 69 2HG2 VAL 69 23.786 7.252 -4.694 525 H VAL 70 H VAL 70 26.923 2.907 -4.626 526 HA VAL 70 HA VAL 70 28.549 3.397 -2.217 527 HB VAL 70 HB VAL 70 28.018 0.656 -3.353 528 HG11 VAL 70 1HG1 VAL 70 29.970 1.483 -1.669 529 HG12 VAL 70 2HG1 VAL 70 28.705 1.040 -0.521 530 HG13 VAL 70 3HG1 VAL 70 29.296 -0.147 -1.685 531 HG21 VAL 70 3HG2 VAL 70 26.284 2.333 -1.741 532 HG22 VAL 70 1HG2 VAL 70 25.947 0.798 -2.540 533 HG23 VAL 70 2HG2 VAL 70 26.680 0.815 -0.936 534 H ASN 71 H ASN 71 30.531 3.985 -2.778 535 HA ASN 71 HA ASN 71 31.733 2.769 -5.178 536 HB2 ASN 71 2HB ASN 71 32.561 5.449 -4.092 537 HB3 ASN 71 3HB ASN 71 32.816 4.788 -5.704 538 HD21 ASN 71 1HD2 ASN 71 30.432 6.106 -3.502 539 HD22 ASN 71 2HD2 ASN 71 29.306 6.599 -4.717 540 H ALA 72 H ALA 72 33.132 1.269 -4.523 541 HA ALA 72 HA ALA 72 34.427 1.305 -1.991 542 HB1 ALA 72 1HB ALA 72 35.471 -0.715 -2.655 543 HB2 ALA 72 2HB ALA 72 33.845 -0.742 -3.339 544 HB3 ALA 72 3HB ALA 72 35.227 -0.360 -4.366 545 H ASP 73 H ASP 73 35.390 2.211 -5.254 546 HA ASP 73 HA ASP 73 38.141 2.515 -4.807 547 HB2 ASP 73 2HB ASP 73 36.526 2.750 -6.979 548 HB3 ASP 73 3HB ASP 73 36.888 4.444 -6.659 549 H LYS 74 H LYS 74 35.431 4.683 -4.242 550 HA LYS 74 HA LYS 74 37.222 6.811 -3.360 551 HB2 LYS 74 2HB LYS 74 34.231 6.675 -3.738 552 HB3 LYS 74 3HB LYS 74 35.043 8.067 -3.035 553 HG2 LYS 74 2HG LYS 74 36.472 7.936 -5.235 554 HG3 LYS 74 3HG LYS 74 35.052 7.078 -5.838 555 HD2 LYS 74 2HD LYS 74 34.695 9.346 -6.373 556 HD3 LYS 74 3HD LYS 74 33.684 9.031 -4.961 557 HE2 LYS 74 2HE LYS 74 34.660 10.990 -4.309 558 HE3 LYS 74 3HE LYS 74 35.839 9.844 -3.673 559 HZ1 LYS 74 3HZ LYS 74 36.367 10.587 -6.389 560 HZ2 LYS 74 1HZ LYS 74 37.397 10.600 -5.047 561 HZ3 LYS 74 2HZ LYS 74 36.379 11.917 -5.344 562 H LYS 75 H LYS 75 35.652 4.152 -2.057 563 HA LYS 75 HA LYS 75 35.298 3.412 0.064 564 HB2 LYS 75 2HB LYS 75 37.330 5.573 0.488 565 HB3 LYS 75 3HB LYS 75 36.603 4.775 1.877 566 HG2 LYS 75 2HG LYS 75 37.306 2.620 0.452 567 HG3 LYS 75 3HG LYS 75 38.538 3.756 -0.102 568 HD2 LYS 75 2HD LYS 75 39.430 4.019 2.029 569 HD3 LYS 75 3HD LYS 75 37.960 3.447 2.821 570 HE2 LYS 75 2HE LYS 75 38.401 1.186 1.966 571 HE3 LYS 75 3HE LYS 75 39.886 1.769 1.215 572 HZ1 LYS 75 3HZ LYS 75 39.868 2.498 3.933 573 HZ2 LYS 75 1HZ LYS 75 40.948 1.481 3.119 574 HZ3 LYS 75 2HZ LYS 75 39.544 0.842 3.813 575 H LEU 76 H LEU 76 33.406 5.218 -1.055 576 HA LEU 76 HA LEU 76 32.238 6.246 1.424 577 HB2 LEU 76 2HB LEU 76 31.388 8.182 -0.153 578 HB3 LEU 76 3HB LEU 76 32.922 8.289 0.709 579 HG LEU 76 HG LEU 76 33.995 7.416 -1.437 580 HD11 LEU 76 1HD1 LEU 76 32.111 6.580 -2.610 581 HD12 LEU 76 2HD1 LEU 76 32.668 8.005 -3.487 582 HD13 LEU 76 3HD1 LEU 76 31.247 8.108 -2.448 583 HD21 LEU 76 3HD2 LEU 76 33.711 9.742 -2.526 584 HD22 LEU 76 1HD2 LEU 76 34.440 9.635 -0.923 585 HD23 LEU 76 2HD2 LEU 76 32.752 10.119 -1.093 586 H MET 77 H MET 77 29.993 6.222 1.492 587 HA MET 77 HA MET 77 28.536 5.322 -0.868 588 HB2 MET 77 2HB MET 77 28.978 3.200 0.018 589 HB3 MET 77 3HB MET 77 28.816 3.755 1.678 590 HG2 MET 77 2HG MET 77 26.408 3.969 -0.009 591 HG3 MET 77 3HG MET 77 26.944 2.340 0.396 592 HE1 MET 77 3HE MET 77 26.885 2.397 4.301 593 HE2 MET 77 1HE MET 77 26.998 1.357 2.881 594 HE3 MET 77 2HE MET 77 28.225 2.590 3.170 595 H SER 78 H SER 78 26.630 6.318 -1.030 596 HA SER 78 HA SER 78 25.498 7.551 1.396 597 HB2 SER 78 2HB SER 78 25.497 8.638 -1.430 598 HB3 SER 78 3HB SER 78 24.643 9.367 -0.070 599 HG SER 78 HG SER 78 26.494 10.044 0.755 600 H VAL 79 H VAL 79 23.359 7.283 1.781 601 HA VAL 79 HA VAL 79 21.846 5.687 -0.184 602 HB VAL 79 HB VAL 79 21.496 5.718 2.817 603 HG11 VAL 79 1HG1 VAL 79 19.745 4.932 0.734 604 HG12 VAL 79 2HG1 VAL 79 20.311 3.468 1.541 605 HG13 VAL 79 3HG1 VAL 79 19.531 4.746 2.474 606 HG21 VAL 79 3HG2 VAL 79 22.962 4.047 2.986 607 HG22 VAL 79 1HG2 VAL 79 22.256 3.194 1.612 608 HG23 VAL 79 2HG2 VAL 79 23.470 4.446 1.345 609 H SER 80 H SER 80 20.223 6.732 -1.109 610 HA SER 80 HA SER 80 18.939 8.935 0.369 611 HB2 SER 80 2HB SER 80 20.112 9.787 -1.575 612 HB3 SER 80 3HB SER 80 19.332 8.594 -2.613 613 HG SER 80 HG SER 80 18.474 10.955 -2.244 614 H PHE 81 H PHE 81 16.920 8.563 0.968 615 HA PHE 81 HA PHE 81 15.211 6.891 -0.737 616 HB2 PHE 81 2HB PHE 81 14.222 6.120 1.589 617 HB3 PHE 81 3HB PHE 81 15.611 5.301 0.881 618 HD1 PHE 81 HD2 PHE 81 14.872 8.199 3.114 619 HD2 PHE 81 HD1 PHE 81 17.412 4.898 2.238 620 HE1 PHE 81 HE2 PHE 81 16.178 8.670 5.145 621 HE2 PHE 81 HE1 PHE 81 18.722 5.363 4.268 622 HZ PHE 81 HZ PHE 81 18.107 7.251 5.724 623 H SER 82 H SER 82 13.027 7.416 -0.737 624 HA SER 82 HA SER 82 12.362 9.957 0.601 625 HB2 SER 82 2HB SER 82 12.498 9.727 -2.033 626 HB3 SER 82 3HB SER 82 10.881 9.052 -1.833 627 HG SER 82 HG SER 82 10.444 11.145 -1.968 628 H ASP 83 H ASP 83 10.253 10.221 1.423 629 HA ASP 83 HA ASP 83 8.754 9.286 2.969 630 HB2 ASP 83 2HB ASP 83 7.767 8.600 0.196 631 HB3 ASP 83 3HB ASP 83 6.766 8.489 1.641 632 H ILE 84 H ILE 84 10.130 7.665 3.933 633 HA ILE 84 HA ILE 84 9.331 4.937 3.158 634 HB ILE 84 HB ILE 84 11.508 4.100 3.848 635 HG12 ILE 84 2HG1 ILE 84 12.963 6.593 3.919 636 HG13 ILE 84 3HG1 ILE 84 11.714 6.580 5.159 637 HG21 ILE 84 1HG2 ILE 84 10.990 5.110 1.501 638 HG22 ILE 84 2HG2 ILE 84 12.158 6.339 1.984 639 HG23 ILE 84 3HG2 ILE 84 12.640 4.644 1.915 640 HD11 ILE 84 3HD1 ILE 84 13.060 5.385 6.435 641 HD12 ILE 84 1HD1 ILE 84 12.963 4.069 5.265 642 HD13 ILE 84 2HD1 ILE 84 14.246 5.272 5.135 643 H ASP 85 H ASP 85 8.977 3.465 4.825 644 HA ASP 85 HA ASP 85 8.118 4.630 7.304 645 HB2 ASP 85 2HB ASP 85 7.127 2.599 5.964 646 HB3 ASP 85 3HB ASP 85 8.309 1.671 6.883 647 H GLU 86 H GLU 86 8.793 3.860 9.421 648 HA GLU 86 HA GLU 86 11.611 3.934 9.721 649 HB2 GLU 86 2HB GLU 86 11.183 3.665 12.102 650 HB3 GLU 86 3HB GLU 86 10.064 4.831 11.410 651 HG2 GLU 86 2HG GLU 86 8.333 3.091 11.323 652 HG3 GLU 86 3HG GLU 86 9.456 1.960 12.074 653 H ASN 87 H ASN 87 9.305 1.362 9.438 654 HA ASN 87 HA ASN 87 10.724 -0.730 10.638 655 HB2 ASN 87 2HB ASN 87 8.321 -0.763 9.821 656 HB3 ASN 87 3HB ASN 87 8.964 -1.011 8.200 657 HD21 ASN 87 1HD2 ASN 87 7.818 -2.515 10.902 658 HD22 ASN 87 2HD2 ASN 87 8.462 -4.097 10.639 659 H MET 88 H MET 88 10.711 0.384 7.260 660 HA MET 88 HA MET 88 12.726 -1.498 6.467 661 HB2 MET 88 2HB MET 88 12.698 -0.254 4.322 662 HB3 MET 88 3HB MET 88 11.097 -0.769 4.836 663 HG2 MET 88 2HG MET 88 10.882 1.580 5.839 664 HG3 MET 88 3HG MET 88 12.274 1.981 4.837 665 HE1 MET 88 3HE MET 88 10.666 0.685 1.340 666 HE2 MET 88 1HE MET 88 12.171 0.744 2.259 667 HE3 MET 88 2HE MET 88 10.985 -0.520 2.589 668 H LYS 89 H LYS 89 12.642 1.860 7.467 669 HA LYS 89 HA LYS 89 15.125 2.747 6.643 670 HB2 LYS 89 2HB LYS 89 13.172 3.891 8.025 671 HB3 LYS 89 3HB LYS 89 14.201 3.471 9.388 672 HG2 LYS 89 2HG LYS 89 15.580 4.783 7.153 673 HG3 LYS 89 3HG LYS 89 14.377 5.773 7.983 674 HD2 LYS 89 2HD LYS 89 15.651 4.678 10.097 675 HD3 LYS 89 3HD LYS 89 16.974 4.747 8.930 676 HE2 LYS 89 2HE LYS 89 15.770 7.206 8.656 677 HE3 LYS 89 3HE LYS 89 15.638 6.894 10.386 678 HZ1 LYS 89 3HZ LYS 89 17.768 7.392 10.620 679 HZ2 LYS 89 1HZ LYS 89 17.875 7.756 8.971 680 HZ3 LYS 89 2HZ LYS 89 18.218 6.192 9.516 681 H LYS 90 H LYS 90 14.293 0.767 9.439 682 HA LYS 90 HA LYS 90 16.750 0.813 10.761 683 HB2 LYS 90 2HB LYS 90 15.986 -1.033 11.992 684 HB3 LYS 90 3HB LYS 90 14.515 -0.185 11.530 685 HG2 LYS 90 2HG LYS 90 13.896 -2.308 11.023 686 HG3 LYS 90 3HG LYS 90 14.627 -1.853 9.482 687 HD2 LYS 90 2HD LYS 90 16.319 -3.312 9.722 688 HD3 LYS 90 3HD LYS 90 16.522 -2.938 11.435 689 HE2 LYS 90 2HE LYS 90 14.679 -4.381 12.013 690 HE3 LYS 90 3HE LYS 90 14.317 -4.662 10.311 691 HZ1 LYS 90 3HZ LYS 90 16.942 -5.371 11.470 692 HZ2 LYS 90 1HZ LYS 90 16.233 -5.935 10.040 693 HZ3 LYS 90 2HZ LYS 90 15.629 -6.436 11.538 694 H VAL 91 H VAL 91 15.625 -1.163 8.069 695 HA VAL 91 HA VAL 91 17.896 -2.887 8.022 696 HB VAL 91 HB VAL 91 16.897 -3.954 6.290 697 HG11 VAL 91 1HG1 VAL 91 14.495 -2.266 6.907 698 HG12 VAL 91 2HG1 VAL 91 14.573 -3.990 6.538 699 HG13 VAL 91 3HG1 VAL 91 15.160 -3.391 8.091 700 HG21 VAL 91 3HG2 VAL 91 17.326 -2.350 4.589 701 HG22 VAL 91 1HG2 VAL 91 15.612 -2.752 4.489 702 HG23 VAL 91 2HG2 VAL 91 16.121 -1.240 5.240 703 H ILE 92 H ILE 92 17.036 0.123 6.412 704 HA ILE 92 HA ILE 92 19.194 0.136 4.571 705 HB ILE 92 HB ILE 92 17.895 2.631 5.627 706 HG12 ILE 92 2HG1 ILE 92 16.735 0.535 3.803 707 HG13 ILE 92 3HG1 ILE 92 15.998 1.292 5.211 708 HG21 ILE 92 1HG2 ILE 92 19.809 2.741 4.023 709 HG22 ILE 92 2HG2 ILE 92 18.796 1.907 2.846 710 HG23 ILE 92 3HG2 ILE 92 18.325 3.498 3.443 711 HD11 ILE 92 3HD1 ILE 92 16.007 3.444 3.906 712 HD12 ILE 92 1HD1 ILE 92 16.450 2.484 2.495 713 HD13 ILE 92 2HD1 ILE 92 14.920 2.186 3.320 714 H LYS 93 H LYS 93 18.724 1.665 7.743 715 HA LYS 93 HA LYS 93 21.231 2.962 7.825 716 HB2 LYS 93 2HB LYS 93 18.983 2.545 9.606 717 HB3 LYS 93 3HB LYS 93 20.509 2.423 10.472 718 HG2 LYS 93 2HG LYS 93 19.799 4.734 8.684 719 HG3 LYS 93 3HG LYS 93 19.483 4.704 10.421 720 HD2 LYS 93 2HD LYS 93 22.218 4.260 9.241 721 HD3 LYS 93 3HD LYS 93 21.617 5.855 9.701 722 HE2 LYS 93 2HE LYS 93 21.951 3.466 11.513 723 HE3 LYS 93 3HE LYS 93 22.959 4.912 11.488 724 HZ1 LYS 93 3HZ LYS 93 20.495 4.472 12.826 725 HZ2 LYS 93 1HZ LYS 93 20.379 5.815 11.804 726 HZ3 LYS 93 2HZ LYS 93 21.584 5.755 12.989 727 H ALA 94 H ALA 94 20.130 -0.183 9.018 728 HA ALA 94 HA ALA 94 22.497 -0.914 10.349 729 HB1 ALA 94 1HB ALA 94 20.527 -2.139 10.824 730 HB2 ALA 94 2HB ALA 94 20.296 -2.561 9.127 731 HB3 ALA 94 3HB ALA 94 21.635 -3.262 10.035 732 H THR 95 H THR 95 21.440 -1.370 7.006 733 HA THR 95 HA THR 95 23.630 -2.982 6.209 734 HB THR 95 HB THR 95 21.840 -1.223 4.520 735 HG1 THR 95 HG1 THR 95 21.044 -3.168 5.856 736 HG21 THR 95 3HG2 THR 95 22.934 -1.911 2.695 737 HG22 THR 95 1HG2 THR 95 22.977 -3.581 3.258 738 HG23 THR 95 2HG2 THR 95 24.217 -2.441 3.782 739 H ALA 96 H ALA 96 22.999 0.502 5.997 740 HA ALA 96 HA ALA 96 25.361 1.168 4.602 741 HB1 ALA 96 1HB ALA 96 23.187 2.549 5.089 742 HB2 ALA 96 2HB ALA 96 24.106 3.103 6.489 743 HB3 ALA 96 3HB ALA 96 24.737 3.360 4.862 744 H GLU 97 H GLU 97 24.565 1.276 8.071 745 HA GLU 97 HA GLU 97 27.083 2.202 8.928 746 HB2 GLU 97 2HB GLU 97 26.329 1.848 11.097 747 HB3 GLU 97 3HB GLU 97 24.829 2.065 10.206 748 HG2 GLU 97 2HG GLU 97 24.304 0.235 11.451 749 HG3 GLU 97 3HG GLU 97 24.938 -0.545 10.003 750 H LYS 98 H LYS 98 25.855 -0.993 8.217 751 HA LYS 98 HA LYS 98 27.793 -2.552 9.485 752 HB2 LYS 98 2HB LYS 98 25.812 -3.573 8.577 753 HB3 LYS 98 3HB LYS 98 26.224 -3.043 6.951 754 HG2 LYS 98 2HG LYS 98 27.774 -4.684 6.657 755 HG3 LYS 98 3HG LYS 98 28.161 -4.783 8.376 756 HD2 LYS 98 2HD LYS 98 25.443 -5.602 7.468 757 HD3 LYS 98 3HD LYS 98 26.800 -6.691 7.172 758 HE2 LYS 98 2HE LYS 98 26.211 -7.438 9.234 759 HE3 LYS 98 3HE LYS 98 27.287 -6.132 9.728 760 HZ1 LYS 98 3HZ LYS 98 24.756 -6.428 10.575 761 HZ2 LYS 98 1HZ LYS 98 24.546 -5.329 9.306 762 HZ3 LYS 98 2HZ LYS 98 25.599 -4.961 10.577 763 H PHE 99 H PHE 99 27.820 -0.946 6.348 764 HA PHE 99 HA PHE 99 30.169 -2.111 5.337 765 HB2 PHE 99 2HB PHE 99 28.560 0.310 4.731 766 HB3 PHE 99 3HB PHE 99 30.217 0.290 4.136 767 HD1 PHE 99 HD1 PHE 99 30.898 -1.980 2.941 768 HD2 PHE 99 HD2 PHE 99 26.920 -0.530 3.372 769 HE1 PHE 99 HE1 PHE 99 30.193 -3.354 1.025 770 HE2 PHE 99 HE2 PHE 99 26.208 -1.902 1.457 771 HZ PHE 99 HZ PHE 99 27.846 -3.316 0.280 772 H LYS 100 H LYS 100 29.629 0.576 7.515 773 HA LYS 100 HA LYS 100 32.203 1.709 7.429 774 HB2 LYS 100 2HB LYS 100 29.873 2.370 8.651 775 HB3 LYS 100 3HB LYS 100 30.792 1.768 10.024 776 HG2 LYS 100 2HG LYS 100 32.252 3.625 8.285 777 HG3 LYS 100 3HG LYS 100 30.861 4.317 9.120 778 HD2 LYS 100 2HD LYS 100 31.802 4.068 11.180 779 HD3 LYS 100 3HD LYS 100 32.700 2.622 10.714 780 HE2 LYS 100 2HE LYS 100 34.416 3.851 9.741 781 HE3 LYS 100 3HE LYS 100 33.415 5.291 9.563 782 HZ1 LYS 100 3HZ LYS 100 33.775 4.456 12.294 783 HZ2 LYS 100 1HZ LYS 100 33.938 5.991 11.601 784 HZ3 LYS 100 2HZ LYS 100 35.219 4.890 11.527 785 H ASN 101 H ASN 101 30.920 -1.071 9.093 786 HA ASN 101 HA ASN 101 32.919 -1.388 11.043 787 HB2 ASN 101 2HB ASN 101 31.213 -3.469 9.658 788 HB3 ASN 101 3HB ASN 101 32.187 -3.766 11.096 789 HD21 ASN 101 1HD2 ASN 101 30.753 -4.084 12.656 790 HD22 ASN 101 2HD2 ASN 101 29.471 -3.004 13.074 791 H LYS 102 H LYS 102 33.023 -1.747 7.664 792 HA LYS 102 HA LYS 102 35.354 -3.514 7.752 793 HB2 LYS 102 2HB LYS 102 33.332 -3.678 6.084 794 HB3 LYS 102 3HB LYS 102 34.200 -2.420 5.215 795 HG2 LYS 102 2HG LYS 102 36.150 -3.862 5.037 796 HG3 LYS 102 3HG LYS 102 35.312 -5.121 5.949 797 HD2 LYS 102 2HD LYS 102 33.661 -5.347 4.203 798 HD3 LYS 102 3HD LYS 102 34.359 -3.988 3.320 799 HE2 LYS 102 2HE LYS 102 35.030 -6.150 2.368 800 HE3 LYS 102 3HE LYS 102 36.411 -5.234 2.970 801 HZ1 LYS 102 3HZ LYS 102 35.061 -7.348 4.551 802 HZ2 LYS 102 1HZ LYS 102 36.549 -6.608 4.870 803 HZ3 LYS 102 2HZ LYS 102 36.390 -7.652 3.549 804 H GLY 103 H GLY 103 34.840 -0.339 8.130 805 HA2 GLY 103 2HA GLY 103 36.461 1.337 8.232 806 HA3 GLY 103 3HA GLY 103 37.540 0.318 7.292 807 H PHE 104 H PHE 104 34.451 2.056 6.905 808 HA PHE 104 HA PHE 104 35.492 3.287 4.478 809 HB2 PHE 104 2HB PHE 104 32.985 1.602 4.552 810 HB3 PHE 104 3HB PHE 104 33.376 2.715 3.245 811 HD1 PHE 104 HD2 PHE 104 34.353 -0.404 4.926 812 HD2 PHE 104 HD1 PHE 104 35.005 2.168 1.599 813 HE1 PHE 104 HE2 PHE 104 35.665 -2.169 3.824 814 HE2 PHE 104 HE1 PHE 104 36.318 0.407 0.490 815 HZ PHE 104 HZ PHE 104 36.651 -1.765 1.603 816 H LYS 105 H LYS 105 33.401 4.627 3.544 817 HA LYS 105 HA LYS 105 32.478 6.213 5.850 818 HB2 LYS 105 2HB LYS 105 33.968 7.518 4.496 819 HB3 LYS 105 3HB LYS 105 33.130 7.048 3.022 820 HG2 LYS 105 2HG LYS 105 32.534 9.300 3.579 821 HG3 LYS 105 3HG LYS 105 31.128 8.261 3.822 822 HD2 LYS 105 2HD LYS 105 31.323 8.352 6.155 823 HD3 LYS 105 3HD LYS 105 32.988 8.936 6.081 824 HE2 LYS 105 2HE LYS 105 31.932 10.896 6.565 825 HE3 LYS 105 3HE LYS 105 31.833 10.949 4.805 826 HZ1 LYS 105 3HZ LYS 105 29.710 10.241 6.738 827 HZ2 LYS 105 1HZ LYS 105 29.598 9.820 5.103 828 HZ3 LYS 105 2HZ LYS 105 29.694 11.448 5.553 829 H VAL 106 H VAL 106 30.381 6.080 6.260 830 HA VAL 106 HA VAL 106 28.540 5.525 4.024 831 HB VAL 106 HB VAL 106 28.147 3.635 5.204 832 HG11 VAL 106 1HG1 VAL 106 28.498 3.416 7.653 833 HG12 VAL 106 2HG1 VAL 106 29.945 3.919 6.776 834 HG13 VAL 106 3HG1 VAL 106 29.011 5.102 7.693 835 HG21 VAL 106 3HG2 VAL 106 26.221 3.816 6.602 836 HG22 VAL 106 1HG2 VAL 106 26.604 5.489 7.010 837 HG23 VAL 106 2HG2 VAL 106 26.100 5.073 5.372 838 H GLU 107 H GLU 107 27.003 6.988 3.657 839 HA GLU 107 HA GLU 107 26.287 8.853 5.818 840 HB2 GLU 107 2HB GLU 107 27.761 10.053 4.329 841 HB3 GLU 107 3HB GLU 107 26.842 9.526 2.926 842 HG2 GLU 107 2HG GLU 107 25.065 10.944 3.399 843 HG3 GLU 107 3HG GLU 107 25.550 11.147 5.081 844 H THR 108 H THR 108 24.156 9.557 5.865 845 HA THR 108 HA THR 108 22.322 8.141 4.040 846 HB THR 108 HB THR 108 20.666 8.116 5.870 847 HG1 THR 108 HG1 THR 108 21.417 9.853 7.115 848 HG21 THR 108 3HG2 THR 108 22.713 6.395 5.498 849 HG22 THR 108 1HG2 THR 108 21.446 6.160 6.701 850 HG23 THR 108 2HG2 THR 108 22.994 6.858 7.176 851 H ASP 109 H ASP 109 20.853 9.324 2.972 852 HA ASP 109 HA ASP 109 20.749 12.202 3.554 853 HB2 ASP 109 2HB ASP 109 21.288 10.981 1.193 854 HB3 ASP 109 3HB ASP 109 19.545 11.193 1.050 855 H MET 110 H MET 110 18.614 13.263 3.042 856 HA MET 110 HA MET 110 16.400 13.548 3.476 857 HB2 MET 110 2HB MET 110 16.357 11.551 1.811 858 HB3 MET 110 3HB MET 110 15.971 10.587 3.231 859 HG2 MET 110 2HG MET 110 13.854 11.066 2.720 860 HG3 MET 110 3HG MET 110 14.195 12.620 3.478 861 HE1 MET 110 3HE MET 110 13.652 14.568 2.631 862 HE2 MET 110 1HE MET 110 15.080 14.897 1.650 863 HE3 MET 110 2HE MET 110 13.471 15.087 0.955 Start of MODEL 18 1 H1 MET 1 H MET 1 1.176 -0.522 0.344 2 HA MET 1 HA MET 1 1.187 -0.156 -2.576 3 HB2 MET 1 2HB MET 1 1.102 1.964 -0.988 4 HB3 MET 1 3HB MET 1 2.828 1.651 -0.859 5 HG2 MET 1 2HG MET 1 2.741 1.585 -3.453 6 HG3 MET 1 3HG MET 1 1.224 2.456 -3.240 7 HE1 MET 1 3HE MET 1 4.929 2.311 -2.182 8 HE2 MET 1 1HE MET 1 5.297 3.969 -1.704 9 HE3 MET 1 2HE MET 1 4.265 2.966 -0.684 10 H THR 2 H THR 2 3.321 -0.254 -3.558 11 HA THR 2 HA THR 2 5.090 -2.077 -2.076 12 HB THR 2 HB THR 2 4.746 -1.664 -5.049 13 HG1 THR 2 HG1 THR 2 4.423 -4.060 -3.566 14 HG21 THR 2 3HG2 THR 2 7.000 -2.695 -3.552 15 HG22 THR 2 1HG2 THR 2 6.853 -2.370 -5.279 16 HG23 THR 2 2HG2 THR 2 6.322 -3.919 -4.625 17 H LEU 3 H LEU 3 7.113 -1.491 -1.584 18 HA LEU 3 HA LEU 3 8.162 0.986 -2.788 19 HB2 LEU 3 2HB LEU 3 7.654 0.391 -0.087 20 HB3 LEU 3 3HB LEU 3 9.406 0.360 -0.279 21 HG LEU 3 HG LEU 3 9.536 2.608 -0.709 22 HD11 LEU 3 1HD1 LEU 3 6.872 2.226 -1.944 23 HD12 LEU 3 2HD1 LEU 3 8.286 3.098 -2.536 24 HD13 LEU 3 3HD1 LEU 3 7.250 3.828 -1.310 25 HD21 LEU 3 3HD2 LEU 3 8.360 2.003 1.539 26 HD22 LEU 3 1HD2 LEU 3 6.964 2.788 0.798 27 HD23 LEU 3 2HD2 LEU 3 8.465 3.687 1.023 28 H CYS 4 H CYS 4 9.990 0.787 -3.895 29 HA CYS 4 HA CYS 4 11.697 -1.557 -3.367 30 HB2 CYS 4 2HB CYS 4 11.312 -0.185 -6.034 31 HB3 CYS 4 3HB CYS 4 12.242 -1.646 -5.725 32 HG CYS 4 HG CYS 4 8.860 -1.462 -5.253 33 H ALA 5 H ALA 5 13.982 -1.269 -3.888 34 HA ALA 5 HA ALA 5 14.886 1.523 -3.859 35 HB1 ALA 5 1HB ALA 5 16.673 0.715 -2.179 36 HB2 ALA 5 2HB ALA 5 15.052 1.080 -1.586 37 HB3 ALA 5 3HB ALA 5 15.539 -0.595 -1.846 38 H MET 6 H MET 6 16.795 1.911 -4.918 39 HA MET 6 HA MET 6 18.025 -0.410 -6.255 40 HB2 MET 6 2HB MET 6 16.932 0.897 -7.919 41 HB3 MET 6 3HB MET 6 17.556 2.398 -7.249 42 HG2 MET 6 2HG MET 6 19.840 1.664 -7.876 43 HG3 MET 6 3HG MET 6 19.126 0.260 -8.664 44 HE1 MET 6 3HE MET 6 17.450 1.597 -11.789 45 HE2 MET 6 1HE MET 6 18.064 0.206 -10.894 46 HE3 MET 6 2HE MET 6 16.672 1.102 -10.285 47 H TYR 7 H TYR 7 20.078 -0.792 -5.765 48 HA TYR 7 HA TYR 7 21.705 1.428 -4.710 49 HB2 TYR 7 2HB TYR 7 22.764 -0.053 -3.175 50 HB3 TYR 7 3HB TYR 7 21.033 -0.335 -3.021 51 HD1 TYR 7 HD2 TYR 7 24.205 -1.718 -4.270 52 HD2 TYR 7 HD1 TYR 7 20.058 -2.440 -3.650 53 HE1 TYR 7 HE2 TYR 7 24.566 -4.116 -4.686 54 HE2 TYR 7 HE1 TYR 7 20.407 -4.839 -4.063 55 HH TYR 7 HH TYR 7 22.899 -6.407 -3.802 56 H ASN 8 H ASN 8 23.776 1.643 -5.450 57 HA ASN 8 HA ASN 8 24.587 -0.203 -7.600 58 HB2 ASN 8 2HB ASN 8 25.413 2.693 -7.391 59 HB3 ASN 8 3HB ASN 8 25.579 1.617 -8.776 60 HD21 ASN 8 1HD2 ASN 8 24.386 4.126 -8.911 61 HD22 ASN 8 2HD2 ASN 8 22.709 3.922 -9.276 62 H ILE 9 H ILE 9 26.564 -1.108 -7.498 63 HA ILE 9 HA ILE 9 28.311 -0.279 -5.274 64 HB ILE 9 HB ILE 9 29.239 -2.674 -5.548 65 HG12 ILE 9 2HG1 ILE 9 26.530 -2.962 -6.865 66 HG13 ILE 9 3HG1 ILE 9 28.092 -3.220 -7.633 67 HG21 ILE 9 1HG2 ILE 9 26.623 -3.116 -4.428 68 HG22 ILE 9 2HG2 ILE 9 28.186 -3.006 -3.620 69 HG23 ILE 9 3HG2 ILE 9 27.255 -1.543 -3.943 70 HD11 ILE 9 3HD1 ILE 9 27.884 -5.356 -7.101 71 HD12 ILE 9 1HD1 ILE 9 28.113 -4.891 -5.416 72 HD13 ILE 9 2HD1 ILE 9 26.485 -5.030 -6.079 73 H SER 10 H SER 10 30.316 0.370 -5.737 74 HA SER 10 HA SER 10 31.329 -0.110 -8.464 75 HB2 SER 10 2HB SER 10 30.686 2.307 -7.682 76 HB3 SER 10 3HB SER 10 32.223 2.235 -6.820 77 HG SER 10 HG SER 10 32.620 3.078 -8.837 78 H MET 11 H MET 11 33.132 -1.263 -8.592 79 HA MET 11 HA MET 11 34.660 -1.776 -6.158 80 HB2 MET 11 2HB MET 11 35.629 -3.638 -7.337 81 HB3 MET 11 3HB MET 11 33.887 -3.672 -7.575 82 HG2 MET 11 2HG MET 11 35.266 -2.181 -9.649 83 HG3 MET 11 3HG MET 11 35.811 -3.853 -9.533 84 HE1 MET 11 3HE MET 11 33.737 -3.667 -12.571 85 HE2 MET 11 1HE MET 11 33.021 -2.180 -11.949 86 HE3 MET 11 2HE MET 11 34.757 -2.451 -11.803 87 H ALA 12 H ALA 12 34.731 0.488 -8.478 88 HA ALA 12 HA ALA 12 37.297 1.421 -7.880 89 HB1 ALA 12 1HB ALA 12 37.545 0.695 -10.686 90 HB2 ALA 12 2HB ALA 12 38.701 0.526 -9.365 91 HB3 ALA 12 3HB ALA 12 37.465 -0.707 -9.618 92 H GLY 13 H GLY 13 37.985 2.750 -10.226 93 HA2 GLY 13 2HA GLY 13 35.874 4.742 -10.303 94 HA3 GLY 13 3HA GLY 13 37.481 4.894 -10.998 95 H SER 14 H SER 14 35.777 2.016 -11.746 96 HA SER 14 HA SER 14 35.311 3.034 -14.466 97 HB2 SER 14 2HB SER 14 36.891 1.073 -14.105 98 HB3 SER 14 3HB SER 14 35.474 0.132 -13.642 99 HG SER 14 HG SER 14 36.366 0.563 -16.066 100 H HIS 15 H HIS 15 33.427 2.208 -15.621 101 HA HIS 15 HA HIS 15 31.027 2.788 -14.654 102 HB2 HIS 15 2HB HIS 15 31.610 0.374 -16.382 103 HB3 HIS 15 3HB HIS 15 30.017 1.095 -16.172 104 HD1 HIS 15 HD1 HIS 15 30.082 3.839 -16.822 105 HD2 HIS 15 HD2 HIS 15 32.836 1.286 -18.599 106 HE1 HIS 15 HE1 HIS 15 30.885 5.043 -18.879 107 HA PRO 16 HA PRO 16 30.728 0.023 -11.113 108 HB2 PRO 16 2HB PRO 16 28.623 1.323 -9.994 109 HB3 PRO 16 3HB PRO 16 30.291 1.888 -9.843 110 HG2 PRO 16 2HG PRO 16 28.140 2.814 -11.707 111 HG3 PRO 16 3HG PRO 16 29.308 3.775 -10.782 112 HD2 PRO 16 2HD PRO 16 29.629 3.232 -13.415 113 HD3 PRO 16 3HD PRO 16 31.001 3.412 -12.302 114 H THR 17 H THR 17 28.570 -0.874 -10.024 115 HA THR 17 HA THR 17 26.892 -1.893 -12.224 116 HB THR 17 HB THR 17 27.140 -3.406 -9.662 117 HG1 THR 17 HG1 THR 17 29.013 -4.453 -10.552 118 HG21 THR 17 3HG2 THR 17 26.813 -4.165 -12.566 119 HG22 THR 17 1HG2 THR 17 25.576 -4.212 -11.311 120 HG23 THR 17 2HG2 THR 17 26.946 -5.322 -11.242 121 H THR 18 H THR 18 24.787 -1.466 -12.131 122 HA THR 18 HA THR 18 23.692 -0.401 -9.619 123 HB THR 18 HB THR 18 22.745 -0.042 -12.467 124 HG1 THR 18 HG1 THR 18 24.586 1.220 -11.695 125 HG21 THR 18 3HG2 THR 18 21.374 0.333 -9.905 126 HG22 THR 18 1HG2 THR 18 20.715 0.221 -11.536 127 HG23 THR 18 2HG2 THR 18 21.352 1.756 -10.946 128 H ILE 19 H ILE 19 22.039 -1.386 -8.607 129 HA ILE 19 HA ILE 19 20.605 -3.531 -10.009 130 HB ILE 19 HB ILE 19 22.329 -3.809 -7.656 131 HG12 ILE 19 2HG1 ILE 19 21.118 -5.637 -9.726 132 HG13 ILE 19 3HG1 ILE 19 22.797 -5.134 -9.571 133 HG21 ILE 19 1HG2 ILE 19 20.862 -5.457 -6.542 134 HG22 ILE 19 2HG2 ILE 19 20.230 -3.813 -6.471 135 HG23 ILE 19 3HG2 ILE 19 19.548 -4.971 -7.613 136 HD11 ILE 19 3HD1 ILE 19 21.293 -6.996 -7.752 137 HD12 ILE 19 1HD1 ILE 19 22.587 -7.413 -8.876 138 HD13 ILE 19 2HD1 ILE 19 22.933 -6.417 -7.462 139 H CYS 20 H CYS 20 18.469 -3.748 -9.487 140 HA CYS 20 HA CYS 20 17.412 -1.907 -7.445 141 HB2 CYS 20 2HB CYS 20 16.876 -1.010 -9.625 142 HB3 CYS 20 3HB CYS 20 16.251 -2.567 -10.157 143 HG CYS 20 HG CYS 20 13.889 -2.439 -9.001 144 H VAL 21 H VAL 21 16.439 -2.938 -5.843 145 HA VAL 21 HA VAL 21 14.871 -5.345 -6.428 146 HB VAL 21 HB VAL 21 15.750 -6.438 -4.375 147 HG11 VAL 21 1HG1 VAL 21 18.129 -6.809 -5.416 148 HG12 VAL 21 2HG1 VAL 21 16.681 -7.374 -6.254 149 HG13 VAL 21 3HG1 VAL 21 17.459 -5.870 -6.750 150 HG21 VAL 21 3HG2 VAL 21 16.587 -4.266 -3.384 151 HG22 VAL 21 1HG2 VAL 21 17.678 -5.646 -3.254 152 HG23 VAL 21 2HG2 VAL 21 17.967 -4.405 -4.473 153 H VAL 22 H VAL 22 13.147 -5.725 -5.025 154 HA VAL 22 HA VAL 22 11.956 -3.439 -3.876 155 HB VAL 22 HB VAL 22 10.198 -4.903 -3.100 156 HG11 VAL 22 1HG1 VAL 22 11.140 -4.807 -5.782 157 HG12 VAL 22 2HG1 VAL 22 10.438 -6.400 -5.493 158 HG13 VAL 22 3HG1 VAL 22 9.482 -4.947 -5.199 159 HG21 VAL 22 3HG2 VAL 22 12.317 -6.951 -3.319 160 HG22 VAL 22 1HG2 VAL 22 10.994 -6.802 -2.161 161 HG23 VAL 22 2HG2 VAL 22 10.688 -7.455 -3.771 162 H MET 23 H MET 23 11.356 -3.092 -1.655 163 HA MET 23 HA MET 23 13.461 -3.158 0.139 164 HB2 MET 23 2HB MET 23 11.845 -2.543 1.856 165 HB3 MET 23 3HB MET 23 11.515 -1.672 0.365 166 HG2 MET 23 2HG MET 23 9.795 -3.459 -0.136 167 HG3 MET 23 3HG MET 23 10.011 -3.991 1.530 168 HE1 MET 23 3HE MET 23 7.333 -3.494 2.199 169 HE2 MET 23 1HE MET 23 8.700 -3.321 3.300 170 HE3 MET 23 2HE MET 23 7.432 -2.096 3.271 171 H ASP 24 H ASP 24 10.842 -5.471 -0.317 172 HA ASP 24 HA ASP 24 11.236 -7.048 1.950 173 HB2 ASP 24 2HB ASP 24 10.433 -8.133 -0.749 174 HB3 ASP 24 3HB ASP 24 9.978 -8.739 0.841 175 H ARG 25 H ARG 25 12.855 -7.089 -1.181 176 HA ARG 25 HA ARG 25 14.601 -9.255 -0.244 177 HB2 ARG 25 2HB ARG 25 14.268 -8.106 -3.021 178 HB3 ARG 25 3HB ARG 25 15.292 -9.469 -2.592 179 HG2 ARG 25 2HG ARG 25 13.230 -10.655 -1.808 180 HG3 ARG 25 3HG ARG 25 12.291 -9.333 -2.505 181 HD2 ARG 25 2HD ARG 25 13.182 -9.803 -4.699 182 HD3 ARG 25 3HD ARG 25 14.252 -11.036 -4.035 183 HE ARG 25 HE ARG 25 11.738 -11.838 -3.320 184 HH11 ARG 25 1HH1 ARG 25 13.334 -11.075 -6.318 185 HH12 ARG 25 2HH1 ARG 25 12.377 -12.172 -7.258 186 HH21 ARG 25 1HH2 ARG 25 10.473 -13.287 -4.546 187 HH22 ARG 25 2HH2 ARG 25 10.750 -13.429 -6.248 188 H PHE 26 H PHE 26 14.498 -5.922 -0.489 189 HA PHE 26 HA PHE 26 17.137 -5.309 -1.278 190 HB2 PHE 26 2HB PHE 26 15.298 -3.652 -1.213 191 HB3 PHE 26 3HB PHE 26 15.309 -3.733 0.545 192 HD1 PHE 26 HD1 PHE 26 18.157 -3.612 -1.841 193 HD2 PHE 26 HD2 PHE 26 15.993 -1.635 1.245 194 HE1 PHE 26 HE1 PHE 26 19.869 -1.847 -1.775 195 HE2 PHE 26 HE2 PHE 26 17.701 0.134 1.315 196 HZ PHE 26 HZ PHE 26 19.644 0.029 -0.195 197 H LEU 27 H LEU 27 15.668 -5.812 1.910 198 HA LEU 27 HA LEU 27 17.905 -5.216 3.472 199 HB2 LEU 27 2HB LEU 27 16.821 -6.714 5.171 200 HB3 LEU 27 3HB LEU 27 15.814 -5.410 4.545 201 HG LEU 27 HG LEU 27 15.142 -7.480 2.894 202 HD11 LEU 27 1HD1 LEU 27 15.412 -9.482 3.821 203 HD12 LEU 27 2HD1 LEU 27 14.830 -8.918 5.386 204 HD13 LEU 27 3HD1 LEU 27 16.526 -8.714 4.951 205 HD21 LEU 27 3HD2 LEU 27 13.685 -7.181 5.473 206 HD22 LEU 27 1HD2 LEU 27 13.062 -7.266 3.825 207 HD23 LEU 27 2HD2 LEU 27 13.818 -5.782 4.406 208 H GLU 28 H GLU 28 16.801 -8.349 2.197 209 HA GLU 28 HA GLU 28 19.010 -9.809 3.235 210 HB2 GLU 28 2HB GLU 28 16.643 -10.594 2.353 211 HB3 GLU 28 3HB GLU 28 17.511 -10.758 0.833 212 HG2 GLU 28 2HG GLU 28 17.435 -12.860 2.056 213 HG3 GLU 28 3HG GLU 28 19.089 -12.280 1.866 214 H SER 29 H SER 29 18.245 -8.521 0.014 215 HA SER 29 HA SER 29 20.427 -9.483 -1.388 216 HB2 SER 29 2HB SER 29 18.823 -6.947 -1.673 217 HB3 SER 29 3HB SER 29 20.136 -7.340 -2.783 218 HG SER 29 HG SER 29 18.018 -9.135 -2.238 219 H PHE 30 H PHE 30 20.155 -6.375 0.332 220 HA PHE 30 HA PHE 30 22.780 -5.513 -0.152 221 HB2 PHE 30 2HB PHE 30 20.567 -4.435 1.059 222 HB3 PHE 30 3HB PHE 30 21.649 -4.678 2.426 223 HD1 PHE 30 HD1 PHE 30 24.227 -4.263 0.798 224 HD2 PHE 30 HD2 PHE 30 20.601 -2.056 1.111 225 HE1 PHE 30 HE1 PHE 30 25.434 -2.202 0.208 226 HE2 PHE 30 HE2 PHE 30 21.802 0.008 0.520 227 HZ PHE 30 HZ PHE 30 24.222 -0.063 0.069 228 H SER 31 H SER 31 21.390 -7.272 2.600 229 HA SER 31 HA SER 31 23.637 -7.384 4.223 230 HB2 SER 31 2HB SER 31 21.222 -8.189 4.682 231 HB3 SER 31 3HB SER 31 21.749 -9.715 3.972 232 HG SER 31 HG SER 31 22.968 -10.101 5.670 233 H GLU 32 H GLU 32 22.635 -9.604 1.641 234 HA GLU 32 HA GLU 32 24.884 -11.332 1.955 235 HB2 GLU 32 2HB GLU 32 22.665 -11.968 0.935 236 HB3 GLU 32 3HB GLU 32 23.132 -11.046 -0.487 237 HG2 GLU 32 2HG GLU 32 23.619 -13.298 -0.962 238 HG3 GLU 32 3HG GLU 32 25.165 -12.515 -0.640 239 H LEU 33 H LEU 33 24.097 -8.645 -0.199 240 HA LEU 33 HA LEU 33 26.232 -8.831 -1.967 241 HB2 LEU 33 2HB LEU 33 24.360 -7.314 -2.294 242 HB3 LEU 33 3HB LEU 33 24.869 -6.361 -0.902 243 HG LEU 33 HG LEU 33 25.379 -5.509 -3.295 244 HD11 LEU 33 1HD1 LEU 33 27.838 -5.475 -1.651 245 HD12 LEU 33 2HD1 LEU 33 26.357 -4.889 -0.894 246 HD13 LEU 33 3HD1 LEU 33 26.940 -4.145 -2.383 247 HD21 LEU 33 3HD2 LEU 33 27.923 -7.004 -3.058 248 HD22 LEU 33 1HD2 LEU 33 27.070 -6.431 -4.491 249 HD23 LEU 33 2HD2 LEU 33 26.524 -7.890 -3.665 250 H TYR 34 H TYR 34 26.077 -7.431 1.257 251 HA TYR 34 HA TYR 34 28.612 -6.171 1.200 252 HB2 TYR 34 2HB TYR 34 27.009 -5.487 2.851 253 HB3 TYR 34 3HB TYR 34 26.889 -7.121 3.493 254 HD1 TYR 34 HD2 TYR 34 29.735 -4.812 2.730 255 HD2 TYR 34 HD1 TYR 34 27.794 -7.279 5.602 256 HE1 TYR 34 HE2 TYR 34 31.504 -4.297 4.359 257 HE2 TYR 34 HE1 TYR 34 29.557 -6.770 7.240 258 HH TYR 34 HH TYR 34 32.048 -6.030 7.093 259 H ASP 35 H ASP 35 27.549 -9.418 1.956 260 HA ASP 35 HA ASP 35 30.007 -10.267 3.137 261 HB2 ASP 35 2HB ASP 35 27.414 -11.357 2.741 262 HB3 ASP 35 3HB ASP 35 28.570 -12.476 2.024 263 H ILE 36 H ILE 36 28.749 -10.101 -0.106 264 HA ILE 36 HA ILE 36 30.966 -11.682 -1.160 265 HB ILE 36 HB ILE 36 28.835 -12.169 -2.154 266 HG12 ILE 36 2HG1 ILE 36 31.073 -11.653 -3.574 267 HG13 ILE 36 3HG1 ILE 36 29.589 -12.267 -4.296 268 HG21 ILE 36 1HG2 ILE 36 27.596 -10.193 -1.692 269 HG22 ILE 36 2HG2 ILE 36 28.677 -9.210 -2.678 270 HG23 ILE 36 3HG2 ILE 36 27.617 -10.394 -3.444 271 HD11 ILE 36 3HD1 ILE 36 29.005 -10.175 -5.145 272 HD12 ILE 36 1HD1 ILE 36 30.137 -9.330 -4.090 273 HD13 ILE 36 2HD1 ILE 36 30.740 -10.304 -5.432 274 H ILE 37 H ILE 37 30.071 -8.422 -0.640 275 HA ILE 37 HA ILE 37 31.410 -7.120 -2.724 276 HB ILE 37 HB ILE 37 29.850 -6.112 -0.956 277 HG12 ILE 37 2HG1 ILE 37 31.094 -3.892 -1.068 278 HG13 ILE 37 3HG1 ILE 37 32.390 -4.766 -1.876 279 HG21 ILE 37 1HG2 ILE 37 32.162 -5.228 0.605 280 HG22 ILE 37 2HG2 ILE 37 30.553 -5.716 1.135 281 HG23 ILE 37 3HG2 ILE 37 31.776 -6.939 0.788 282 HD11 ILE 37 3HD1 ILE 37 30.579 -5.513 -3.529 283 HD12 ILE 37 1HD1 ILE 37 29.617 -4.206 -2.840 284 HD13 ILE 37 2HD1 ILE 37 31.161 -3.850 -3.614 285 H ASP 38 H ASP 38 32.635 -8.883 -0.072 286 HA ASP 38 HA ASP 38 35.093 -7.586 0.354 287 HB2 ASP 38 2HB ASP 38 34.499 -9.157 1.989 288 HB3 ASP 38 3HB ASP 38 34.129 -10.398 0.795 289 H GLU 39 H GLU 39 33.981 -9.667 -2.177 290 HA GLU 39 HA GLU 39 36.601 -10.377 -3.129 291 HB2 GLU 39 2HB GLU 39 33.798 -10.805 -4.067 292 HB3 GLU 39 3HB GLU 39 35.109 -10.999 -5.222 293 HG2 GLU 39 2HG GLU 39 34.790 -13.140 -4.416 294 HG3 GLU 39 3HG GLU 39 36.152 -12.553 -3.464 295 H ASN 40 H ASN 40 37.054 -9.934 -5.551 296 HA ASN 40 HA ASN 40 36.308 -7.199 -6.293 297 HB2 ASN 40 2HB ASN 40 38.515 -7.227 -5.038 298 HB3 ASN 40 3HB ASN 40 39.174 -8.147 -6.387 299 HD21 ASN 40 1HD2 ASN 40 40.036 -7.046 -7.995 300 HD22 ASN 40 2HD2 ASN 40 39.790 -5.366 -8.317 301 H ASP 41 H ASP 41 36.086 -10.201 -7.174 302 HA ASP 41 HA ASP 41 37.154 -10.037 -9.871 303 HB2 ASP 41 2HB ASP 41 36.208 -12.154 -8.099 304 HB3 ASP 41 3HB ASP 41 35.600 -12.327 -9.744 305 H THR 42 H THR 42 35.995 -9.713 -11.697 306 HA THR 42 HA THR 42 33.431 -8.488 -11.475 307 HB THR 42 HB THR 42 33.486 -8.477 -13.983 308 HG1 THR 42 HG1 THR 42 35.629 -9.097 -14.842 309 HG21 THR 42 3HG2 THR 42 34.946 -6.695 -14.074 310 HG22 THR 42 1HG2 THR 42 36.133 -7.476 -13.030 311 HG23 THR 42 2HG2 THR 42 34.659 -6.800 -12.337 312 H ASP 43 H ASP 43 34.560 -11.696 -12.250 313 HA ASP 43 HA ASP 43 32.203 -12.666 -13.473 314 HB2 ASP 43 2HB ASP 43 34.320 -14.189 -11.937 315 HB3 ASP 43 3HB ASP 43 33.121 -14.900 -13.014 316 H VAL 44 H VAL 44 33.368 -12.795 -10.120 317 HA VAL 44 HA VAL 44 31.112 -14.201 -9.119 318 HB VAL 44 HB VAL 44 33.213 -14.225 -7.901 319 HG11 VAL 44 1HG1 VAL 44 34.092 -12.275 -6.779 320 HG12 VAL 44 2HG1 VAL 44 33.932 -11.938 -8.504 321 HG13 VAL 44 3HG1 VAL 44 32.750 -11.293 -7.364 322 HG21 VAL 44 3HG2 VAL 44 32.030 -14.575 -6.054 323 HG22 VAL 44 1HG2 VAL 44 31.853 -12.838 -5.808 324 HG23 VAL 44 2HG2 VAL 44 30.672 -13.716 -6.780 325 H MET 45 H MET 45 31.944 -10.781 -9.375 326 HA MET 45 HA MET 45 29.715 -9.836 -7.881 327 HB2 MET 45 2HB MET 45 31.793 -8.622 -9.631 328 HB3 MET 45 3HB MET 45 30.327 -7.691 -9.350 329 HG2 MET 45 2HG MET 45 30.760 -8.139 -6.863 330 HG3 MET 45 3HG MET 45 32.382 -8.600 -7.374 331 HE1 MET 45 3HE MET 45 29.825 -5.807 -6.795 332 HE2 MET 45 1HE MET 45 30.530 -4.395 -7.583 333 HE3 MET 45 2HE MET 45 29.876 -5.713 -8.556 334 H MET 46 H MET 46 30.347 -10.249 -11.344 335 HA MET 46 HA MET 46 27.881 -9.158 -12.215 336 HB2 MET 46 2HB MET 46 28.468 -9.915 -14.372 337 HB3 MET 46 3HB MET 46 29.993 -9.516 -13.594 338 HG2 MET 46 2HG MET 46 30.404 -11.859 -13.137 339 HG3 MET 46 3HG MET 46 28.845 -12.286 -13.838 340 HE1 MET 46 3HE MET 46 32.578 -11.097 -14.676 341 HE2 MET 46 1HE MET 46 32.279 -10.416 -16.276 342 HE3 MET 46 2HE MET 46 31.516 -9.700 -14.856 343 H ASP 47 H ASP 47 28.928 -12.404 -11.354 344 HA ASP 47 HA ASP 47 26.591 -13.735 -12.273 345 HB2 ASP 47 2HB ASP 47 28.936 -14.442 -10.585 346 HB3 ASP 47 3HB ASP 47 27.498 -15.448 -10.430 347 H PHE 48 H PHE 48 27.584 -12.409 -9.151 348 HA PHE 48 HA PHE 48 25.285 -13.341 -7.743 349 HB2 PHE 48 2HB PHE 48 27.252 -12.885 -6.464 350 HB3 PHE 48 3HB PHE 48 27.365 -11.249 -7.104 351 HD1 PHE 48 HD2 PHE 48 25.879 -9.494 -6.305 352 HD2 PHE 48 HD1 PHE 48 25.739 -13.427 -4.684 353 HE1 PHE 48 HE2 PHE 48 24.587 -8.653 -4.387 354 HE2 PHE 48 HE1 PHE 48 24.446 -12.593 -2.764 355 HZ PHE 48 HZ PHE 48 23.867 -10.204 -2.614 356 H ILE 49 H ILE 49 26.212 -10.226 -9.163 357 HA ILE 49 HA ILE 49 23.945 -8.780 -8.355 358 HB ILE 49 HB ILE 49 26.076 -8.409 -10.368 359 HG12 ILE 49 2HG1 ILE 49 25.993 -6.093 -9.331 360 HG13 ILE 49 3HG1 ILE 49 24.747 -6.712 -8.252 361 HG21 ILE 49 1HG2 ILE 49 24.834 -6.391 -11.280 362 HG22 ILE 49 2HG2 ILE 49 24.306 -7.971 -11.856 363 HG23 ILE 49 3HG2 ILE 49 23.372 -7.125 -10.623 364 HD11 ILE 49 3HD1 ILE 49 26.661 -8.571 -7.896 365 HD12 ILE 49 1HD1 ILE 49 27.649 -7.153 -8.245 366 HD13 ILE 49 2HD1 ILE 49 26.495 -7.118 -6.911 367 H SER 50 H SER 50 24.631 -10.471 -11.411 368 HA SER 50 HA SER 50 22.147 -9.899 -12.621 369 HB2 SER 50 2HB SER 50 24.309 -10.757 -13.721 370 HB3 SER 50 3HB SER 50 23.782 -12.362 -13.215 371 HG SER 50 HG SER 50 22.249 -10.575 -14.801 372 H ARG 51 H ARG 51 23.257 -12.559 -10.593 373 HA ARG 51 HA ARG 51 20.937 -14.168 -10.909 374 HB2 ARG 51 2HB ARG 51 23.081 -15.092 -10.152 375 HB3 ARG 51 3HB ARG 51 22.981 -14.132 -8.681 376 HG2 ARG 51 2HG ARG 51 21.377 -15.469 -7.750 377 HG3 ARG 51 3HG ARG 51 20.752 -15.994 -9.314 378 HD2 ARG 51 2HD ARG 51 23.434 -16.799 -8.199 379 HD3 ARG 51 3HD ARG 51 21.966 -17.764 -8.042 380 HE ARG 51 HE ARG 51 22.572 -17.073 -10.757 381 HH11 ARG 51 1HH1 ARG 51 23.243 -19.313 -8.177 382 HH12 ARG 51 2HH1 ARG 51 23.719 -20.596 -9.240 383 HH21 ARG 51 1HH2 ARG 51 23.196 -18.755 -12.166 384 HH22 ARG 51 2HH2 ARG 51 23.693 -20.277 -11.508 385 H PHE 52 H PHE 52 21.906 -11.697 -8.586 386 HA PHE 52 HA PHE 52 19.558 -12.067 -6.955 387 HB2 PHE 52 2HB PHE 52 21.983 -10.368 -6.877 388 HB3 PHE 52 3HB PHE 52 20.543 -9.695 -6.118 389 HD1 PHE 52 HD1 PHE 52 21.694 -13.225 -6.278 390 HD2 PHE 52 HD2 PHE 52 20.965 -9.811 -3.843 391 HE1 PHE 52 HE1 PHE 52 22.132 -14.571 -4.266 392 HE2 PHE 52 HE2 PHE 52 21.403 -11.152 -1.826 393 HZ PHE 52 HZ PHE 52 21.986 -13.535 -2.036 394 H ALA 53 H ALA 53 20.391 -10.281 -9.753 395 HA ALA 53 HA ALA 53 18.067 -8.510 -9.420 396 HB1 ALA 53 1HB ALA 53 20.054 -7.272 -9.869 397 HB2 ALA 53 2HB ALA 53 20.465 -8.313 -11.232 398 HB3 ALA 53 3HB ALA 53 19.068 -7.241 -11.331 399 H ARG 54 H ARG 54 16.911 -8.010 -11.534 400 HA ARG 54 HA ARG 54 16.898 -10.044 -13.555 401 HB2 ARG 54 2HB ARG 54 15.528 -10.828 -11.403 402 HB3 ARG 54 3HB ARG 54 14.276 -9.851 -12.160 403 HG2 ARG 54 2HG ARG 54 14.801 -11.215 -14.281 404 HG3 ARG 54 3HG ARG 54 15.596 -12.335 -13.174 405 HD2 ARG 54 2HD ARG 54 13.591 -12.772 -12.015 406 HD3 ARG 54 3HD ARG 54 12.777 -11.388 -12.745 407 HE ARG 54 HE ARG 54 12.243 -12.705 -14.531 408 HH11 ARG 54 1HH1 ARG 54 14.853 -14.199 -12.776 409 HH12 ARG 54 2HH1 ARG 54 14.831 -15.651 -13.721 410 HH21 ARG 54 1HH2 ARG 54 12.204 -14.612 -15.782 411 HH22 ARG 54 2HH2 ARG 54 13.324 -15.884 -15.431 412 H THR 55 H THR 55 17.037 -7.093 -13.181 413 HA THR 55 HA THR 55 16.197 -5.158 -14.067 414 HB THR 55 HB THR 55 15.244 -5.516 -16.453 415 HG1 THR 55 HG1 THR 55 14.951 -7.541 -16.962 416 HG21 THR 55 3HG2 THR 55 17.350 -4.765 -16.690 417 HG22 THR 55 1HG2 THR 55 17.748 -6.450 -17.024 418 HG23 THR 55 2HG2 THR 55 17.966 -5.797 -15.400 419 H ASP 56 H ASP 56 14.550 -4.785 -12.533 420 HA ASP 56 HA ASP 56 11.836 -5.469 -13.457 421 HB2 ASP 56 2HB ASP 56 12.682 -4.807 -10.630 422 HB3 ASP 56 3HB ASP 56 11.097 -5.368 -11.156 423 H GLU 57 H GLU 57 10.187 -3.822 -12.457 424 HA GLU 57 HA GLU 57 11.238 -1.092 -12.592 425 HB2 GLU 57 2HB GLU 57 9.681 -0.376 -14.229 426 HB3 GLU 57 3HB GLU 57 10.412 -1.842 -14.865 427 HG2 GLU 57 2HG GLU 57 8.425 -3.100 -14.018 428 HG3 GLU 57 3HG GLU 57 7.688 -1.546 -13.631 429 H ILE 58 H ILE 58 9.336 0.499 -12.138 430 HA ILE 58 HA ILE 58 7.843 -0.588 -9.843 431 HB ILE 58 HB ILE 58 7.684 2.055 -9.419 432 HG12 ILE 58 2HG1 ILE 58 9.953 3.021 -9.891 433 HG13 ILE 58 3HG1 ILE 58 10.285 1.616 -10.898 434 HG21 ILE 58 1HG2 ILE 58 9.748 1.754 -7.963 435 HG22 ILE 58 2HG2 ILE 58 8.427 0.612 -7.719 436 HG23 ILE 58 3HG2 ILE 58 9.852 0.128 -8.638 437 HD11 ILE 58 3HD1 ILE 58 9.403 3.875 -11.913 438 HD12 ILE 58 1HD1 ILE 58 8.902 2.314 -12.563 439 HD13 ILE 58 2HD1 ILE 58 7.839 3.195 -11.465 440 H MET 59 H MET 59 5.678 -0.474 -9.809 441 HA MET 59 HA MET 59 4.289 0.349 -12.178 442 HB2 MET 59 2HB MET 59 3.694 -1.173 -9.767 443 HB3 MET 59 3HB MET 59 2.366 -0.117 -10.229 444 HG2 MET 59 2HG MET 59 2.997 -1.213 -12.619 445 HG3 MET 59 3HG MET 59 3.402 -2.534 -11.526 446 HE1 MET 59 3HE MET 59 0.717 -4.361 -12.047 447 HE2 MET 59 1HE MET 59 2.211 -4.120 -11.142 448 HE3 MET 59 2HE MET 59 0.659 -4.074 -10.307 449 HA PRO 60 HA PRO 60 3.019 4.416 -11.135 450 HB2 PRO 60 2HB PRO 60 0.429 4.468 -11.946 451 HB3 PRO 60 3HB PRO 60 1.788 4.438 -13.075 452 HG2 PRO 60 2HG PRO 60 0.044 2.188 -12.150 453 HG3 PRO 60 3HG PRO 60 0.631 2.549 -13.784 454 HD2 PRO 60 2HD PRO 60 1.771 0.663 -12.210 455 HD3 PRO 60 3HD PRO 60 2.702 1.619 -13.382 456 H GLU 61 H GLU 61 1.269 1.742 -9.789 457 HA GLU 61 HA GLU 61 -0.269 3.371 -7.960 458 HB2 GLU 61 2HB GLU 61 -1.249 1.353 -7.202 459 HB3 GLU 61 3HB GLU 61 -1.054 1.169 -8.940 460 HG2 GLU 61 2HG GLU 61 1.023 -0.113 -8.523 461 HG3 GLU 61 3HG GLU 61 0.691 -0.014 -6.794 462 H ASP 62 H ASP 62 2.828 1.944 -8.051 463 HA ASP 62 HA ASP 62 3.144 2.406 -5.157 464 HB2 ASP 62 2HB ASP 62 5.046 0.578 -6.507 465 HB3 ASP 62 3HB ASP 62 4.344 0.487 -4.893 466 H LYS 63 H LYS 63 5.865 2.240 -4.961 467 HA LYS 63 HA LYS 63 7.141 3.913 -6.926 468 HB2 LYS 63 2HB LYS 63 7.755 5.572 -4.972 469 HB3 LYS 63 3HB LYS 63 6.280 5.785 -5.907 470 HG2 LYS 63 2HG LYS 63 4.924 5.094 -4.184 471 HG3 LYS 63 3HG LYS 63 6.205 4.160 -3.409 472 HD2 LYS 63 2HD LYS 63 5.958 6.010 -2.013 473 HD3 LYS 63 3HD LYS 63 7.339 6.441 -3.023 474 HE2 LYS 63 2HE LYS 63 6.054 7.913 -4.332 475 HE3 LYS 63 3HE LYS 63 4.535 7.250 -3.733 476 HZ1 LYS 63 3HZ LYS 63 4.563 8.617 -1.995 477 HZ2 LYS 63 1HZ LYS 63 5.784 9.474 -2.793 478 HZ3 LYS 63 2HZ LYS 63 6.187 8.302 -1.643 479 H THR 64 H THR 64 9.347 4.743 -5.731 480 HA THR 64 HA THR 64 10.526 2.276 -4.642 481 HB THR 64 HB THR 64 11.444 4.203 -6.620 482 HG1 THR 64 HG1 THR 64 12.377 2.405 -7.368 483 HG21 THR 64 3HG2 THR 64 13.828 4.133 -5.902 484 HG22 THR 64 1HG2 THR 64 13.300 3.486 -4.349 485 HG23 THR 64 2HG2 THR 64 12.803 5.104 -4.845 486 H VAL 65 H VAL 65 11.314 2.259 -2.635 487 HA VAL 65 HA VAL 65 10.895 4.323 -0.815 488 HB VAL 65 HB VAL 65 13.140 2.684 -0.015 489 HG11 VAL 65 1HG1 VAL 65 12.043 2.882 1.906 490 HG12 VAL 65 2HG1 VAL 65 10.770 3.758 1.052 491 HG13 VAL 65 3HG1 VAL 65 10.660 2.008 1.249 492 HG21 VAL 65 3HG2 VAL 65 12.518 1.029 -1.555 493 HG22 VAL 65 1HG2 VAL 65 11.752 0.536 -0.045 494 HG23 VAL 65 2HG2 VAL 65 10.797 1.318 -1.305 495 H GLY 66 H GLY 66 13.830 3.432 -2.597 496 HA2 GLY 66 2HA GLY 66 14.837 5.967 -2.932 497 HA3 GLY 66 3HA GLY 66 15.449 5.448 -1.368 498 H PHE 67 H PHE 67 17.424 5.935 -2.884 499 HA PHE 67 HA PHE 67 18.290 3.339 -3.966 500 HB2 PHE 67 2HB PHE 67 19.642 4.615 -5.649 501 HB3 PHE 67 3HB PHE 67 17.901 4.750 -5.872 502 HD1 PHE 67 HD2 PHE 67 16.737 6.836 -5.333 503 HD2 PHE 67 HD1 PHE 67 20.973 6.509 -5.069 504 HE1 PHE 67 HE2 PHE 67 16.920 9.289 -5.290 505 HE2 PHE 67 HE1 PHE 67 21.163 8.962 -5.025 506 HZ PHE 67 HZ PHE 67 19.135 10.355 -5.135 507 H VAL 68 H VAL 68 20.453 2.787 -3.649 508 HA VAL 68 HA VAL 68 21.893 4.481 -1.712 509 HB VAL 68 HB VAL 68 21.779 1.475 -1.921 510 HG11 VAL 68 1HG1 VAL 68 23.898 3.206 -0.891 511 HG12 VAL 68 2HG1 VAL 68 23.325 2.006 0.271 512 HG13 VAL 68 3HG1 VAL 68 23.932 1.492 -1.304 513 HG21 VAL 68 3HG2 VAL 68 20.712 3.523 -0.075 514 HG22 VAL 68 1HG2 VAL 68 20.054 1.952 -0.534 515 HG23 VAL 68 2HG2 VAL 68 21.345 2.051 0.662 516 H VAL 69 H VAL 69 23.903 5.105 -2.213 517 HA VAL 69 HA VAL 69 25.148 3.920 -4.608 518 HB VAL 69 HB VAL 69 25.513 6.709 -3.505 519 HG11 VAL 69 1HG1 VAL 69 27.530 5.844 -4.579 520 HG12 VAL 69 2HG1 VAL 69 26.595 5.446 -6.022 521 HG13 VAL 69 3HG1 VAL 69 26.797 7.130 -5.537 522 HG21 VAL 69 3HG2 VAL 69 24.502 7.015 -6.000 523 HG22 VAL 69 1HG2 VAL 69 23.671 5.549 -5.479 524 HG23 VAL 69 2HG2 VAL 69 23.532 7.027 -4.527 525 H VAL 70 H VAL 70 26.860 2.703 -4.195 526 HA VAL 70 HA VAL 70 28.583 3.418 -1.912 527 HB VAL 70 HB VAL 70 28.104 0.608 -2.904 528 HG11 VAL 70 1HG1 VAL 70 29.259 -0.076 -0.907 529 HG12 VAL 70 2HG1 VAL 70 30.272 1.069 -1.789 530 HG13 VAL 70 3HG1 VAL 70 29.383 1.595 -0.358 531 HG21 VAL 70 3HG2 VAL 70 26.126 0.739 -1.870 532 HG22 VAL 70 1HG2 VAL 70 27.049 0.766 -0.367 533 HG23 VAL 70 2HG2 VAL 70 26.530 2.279 -1.110 534 H ASN 71 H ASN 71 30.543 4.014 -2.537 535 HA ASN 71 HA ASN 71 31.641 2.866 -5.019 536 HB2 ASN 71 2HB ASN 71 32.294 5.574 -3.841 537 HB3 ASN 71 3HB ASN 71 32.832 4.938 -5.392 538 HD21 ASN 71 1HD2 ASN 71 30.421 6.637 -3.733 539 HD22 ASN 71 2HD2 ASN 71 29.304 6.809 -5.039 540 H ALA 72 H ALA 72 33.088 1.365 -4.485 541 HA ALA 72 HA ALA 72 34.502 1.318 -2.024 542 HB1 ALA 72 1HB ALA 72 35.544 -0.648 -2.818 543 HB2 ALA 72 2HB ALA 72 33.902 -0.671 -3.462 544 HB3 ALA 72 3HB ALA 72 35.251 -0.212 -4.502 545 H ASP 73 H ASP 73 35.280 2.443 -5.261 546 HA ASP 73 HA ASP 73 38.044 2.759 -4.973 547 HB2 ASP 73 2HB ASP 73 37.982 3.947 -6.958 548 HB3 ASP 73 3HB ASP 73 36.475 3.040 -7.057 549 H LYS 74 H LYS 74 35.367 4.843 -4.039 550 HA LYS 74 HA LYS 74 37.224 6.872 -3.050 551 HB2 LYS 74 2HB LYS 74 34.231 6.813 -3.402 552 HB3 LYS 74 3HB LYS 74 35.047 8.103 -2.527 553 HG2 LYS 74 2HG LYS 74 36.482 8.239 -4.726 554 HG3 LYS 74 3HG LYS 74 35.055 7.477 -5.432 555 HD2 LYS 74 2HD LYS 74 33.665 9.290 -4.490 556 HD3 LYS 74 3HD LYS 74 35.128 10.065 -3.880 557 HE2 LYS 74 2HE LYS 74 34.567 9.461 -6.781 558 HE3 LYS 74 3HE LYS 74 34.333 11.031 -6.013 559 HZ1 LYS 74 3HZ LYS 74 36.493 11.481 -6.156 560 HZ2 LYS 74 1HZ LYS 74 36.616 10.166 -7.213 561 HZ3 LYS 74 2HZ LYS 74 36.952 9.964 -5.568 562 H LYS 75 H LYS 75 35.675 4.124 -1.946 563 HA LYS 75 HA LYS 75 35.367 3.201 0.110 564 HB2 LYS 75 2HB LYS 75 37.417 5.313 0.675 565 HB3 LYS 75 3HB LYS 75 36.723 4.394 2.003 566 HG2 LYS 75 2HG LYS 75 37.379 2.355 0.446 567 HG3 LYS 75 3HG LYS 75 38.555 3.525 -0.158 568 HD2 LYS 75 2HD LYS 75 38.233 3.142 2.788 569 HD3 LYS 75 3HD LYS 75 39.158 1.964 1.853 570 HE2 LYS 75 2HE LYS 75 40.368 4.057 0.905 571 HE3 LYS 75 3HE LYS 75 39.711 4.868 2.326 572 HZ1 LYS 75 3HZ LYS 75 42.040 3.556 2.288 573 HZ2 LYS 75 1HZ LYS 75 41.011 2.336 2.850 574 HZ3 LYS 75 2HZ LYS 75 41.119 3.802 3.686 575 H LEU 76 H LEU 76 33.434 5.061 -0.786 576 HA LEU 76 HA LEU 76 32.343 5.887 1.799 577 HB2 LEU 76 2HB LEU 76 31.451 7.949 0.428 578 HB3 LEU 76 3HB LEU 76 33.018 7.982 1.235 579 HG LEU 76 HG LEU 76 34.037 7.343 -0.988 580 HD11 LEU 76 1HD1 LEU 76 31.238 7.967 -1.906 581 HD12 LEU 76 2HD1 LEU 76 32.142 6.471 -2.140 582 HD13 LEU 76 3HD1 LEU 76 32.643 7.943 -2.973 583 HD21 LEU 76 3HD2 LEU 76 32.626 9.958 -0.545 584 HD22 LEU 76 1HD2 LEU 76 33.689 9.685 -1.926 585 HD23 LEU 76 2HD2 LEU 76 34.326 9.564 -0.286 586 H MET 77 H MET 77 30.049 6.070 1.840 587 HA MET 77 HA MET 77 28.598 5.169 -0.526 588 HB2 MET 77 2HB MET 77 27.613 3.295 0.462 589 HB3 MET 77 3HB MET 77 29.293 3.188 0.972 590 HG2 MET 77 2HG MET 77 28.708 4.142 3.135 591 HG3 MET 77 3HG MET 77 27.027 4.279 2.625 592 HE1 MET 77 3HE MET 77 25.345 1.484 2.683 593 HE2 MET 77 1HE MET 77 26.074 2.325 1.315 594 HE3 MET 77 2HE MET 77 26.427 0.620 1.591 595 H SER 78 H SER 78 26.708 6.194 -0.752 596 HA SER 78 HA SER 78 25.618 7.609 1.594 597 HB2 SER 78 2HB SER 78 25.730 8.519 -1.289 598 HB3 SER 78 3HB SER 78 24.791 9.332 -0.038 599 HG SER 78 HG SER 78 26.921 10.219 -0.391 600 H VAL 79 H VAL 79 23.490 7.384 2.016 601 HA VAL 79 HA VAL 79 21.901 5.791 0.111 602 HB VAL 79 HB VAL 79 21.720 5.840 3.126 603 HG11 VAL 79 1HG1 VAL 79 20.197 3.736 2.048 604 HG12 VAL 79 2HG1 VAL 79 19.616 5.163 2.909 605 HG13 VAL 79 3HG1 VAL 79 19.753 5.187 1.151 606 HG21 VAL 79 3HG2 VAL 79 22.906 3.965 1.144 607 HG22 VAL 79 1HG2 VAL 79 23.483 4.434 2.744 608 HG23 VAL 79 2HG2 VAL 79 22.149 3.291 2.587 609 H SER 80 H SER 80 20.287 6.867 -0.793 610 HA SER 80 HA SER 80 19.080 9.108 0.694 611 HB2 SER 80 2HB SER 80 20.320 9.827 -1.323 612 HB3 SER 80 3HB SER 80 19.299 8.780 -2.309 613 HG SER 80 HG SER 80 18.546 10.936 -2.302 614 H PHE 81 H PHE 81 17.070 8.757 1.330 615 HA PHE 81 HA PHE 81 15.293 7.157 -0.373 616 HB2 PHE 81 2HB PHE 81 15.915 6.738 2.529 617 HB3 PHE 81 3HB PHE 81 14.321 6.321 1.910 618 HD1 PHE 81 HD2 PHE 81 17.894 5.838 0.939 619 HD2 PHE 81 HD1 PHE 81 14.008 4.140 1.297 620 HE1 PHE 81 HE2 PHE 81 18.771 3.676 0.158 621 HE2 PHE 81 HE1 PHE 81 14.878 1.975 0.517 622 HZ PHE 81 HZ PHE 81 17.262 1.741 -0.053 623 H SER 82 H SER 82 13.149 7.773 -0.382 624 HA SER 82 HA SER 82 12.537 10.256 1.085 625 HB2 SER 82 2HB SER 82 12.602 10.869 -1.190 626 HB3 SER 82 3HB SER 82 11.805 9.381 -1.703 627 HG SER 82 HG SER 82 10.524 11.433 -1.589 628 H ASP 83 H ASP 83 10.409 10.540 1.860 629 HA ASP 83 HA ASP 83 8.793 9.630 3.269 630 HB2 ASP 83 2HB ASP 83 8.055 9.102 0.410 631 HB3 ASP 83 3HB ASP 83 6.971 8.603 1.705 632 H ILE 84 H ILE 84 10.106 8.045 4.357 633 HA ILE 84 HA ILE 84 9.295 5.306 3.672 634 HB ILE 84 HB ILE 84 11.475 4.422 4.193 635 HG12 ILE 84 2HG1 ILE 84 13.071 6.799 4.242 636 HG13 ILE 84 3HG1 ILE 84 11.833 6.925 5.487 637 HG21 ILE 84 1HG2 ILE 84 12.447 4.894 2.190 638 HG22 ILE 84 2HG2 ILE 84 10.863 5.614 1.905 639 HG23 ILE 84 3HG2 ILE 84 12.225 6.635 2.366 640 HD11 ILE 84 3HD1 ILE 84 12.741 4.371 5.826 641 HD12 ILE 84 1HD1 ILE 84 14.203 5.241 5.362 642 HD13 ILE 84 2HD1 ILE 84 13.260 5.779 6.752 643 H ASP 85 H ASP 85 9.011 3.908 5.414 644 HA ASP 85 HA ASP 85 8.402 5.208 7.913 645 HB2 ASP 85 2HB ASP 85 8.317 2.238 7.619 646 HB3 ASP 85 3HB ASP 85 7.199 3.316 8.452 647 H GLU 86 H GLU 86 9.166 4.398 9.993 648 HA GLU 86 HA GLU 86 11.994 4.266 10.087 649 HB2 GLU 86 2HB GLU 86 11.731 4.053 12.490 650 HB3 GLU 86 3HB GLU 86 10.623 5.272 11.875 651 HG2 GLU 86 2HG GLU 86 8.775 3.742 12.025 652 HG3 GLU 86 3HG GLU 86 9.855 2.429 12.491 653 H ASN 87 H ASN 87 9.520 1.870 9.900 654 HA ASN 87 HA ASN 87 10.768 -0.330 11.065 655 HB2 ASN 87 2HB ASN 87 8.421 -0.334 10.326 656 HB3 ASN 87 3HB ASN 87 8.949 -0.290 8.646 657 HD21 ASN 87 1HD2 ASN 87 7.573 -2.240 8.595 658 HD22 ASN 87 2HD2 ASN 87 8.305 -3.758 8.979 659 H MET 88 H MET 88 10.872 0.760 7.677 660 HA MET 88 HA MET 88 12.830 -1.225 6.966 661 HB2 MET 88 2HB MET 88 12.891 0.118 4.796 662 HB3 MET 88 3HB MET 88 11.362 -0.640 5.219 663 HG2 MET 88 2HG MET 88 11.636 2.074 6.246 664 HG3 MET 88 3HG MET 88 11.708 1.970 4.489 665 HE1 MET 88 3HE MET 88 8.306 0.522 3.478 666 HE2 MET 88 1HE MET 88 9.897 1.094 2.978 667 HE3 MET 88 2HE MET 88 9.733 -0.472 3.773 668 H LYS 89 H LYS 89 12.824 2.158 7.865 669 HA LYS 89 HA LYS 89 15.313 2.984 7.013 670 HB2 LYS 89 2HB LYS 89 13.596 4.402 8.148 671 HB3 LYS 89 3HB LYS 89 14.063 3.672 9.678 672 HG2 LYS 89 2HG LYS 89 15.169 5.752 9.551 673 HG3 LYS 89 3HG LYS 89 16.392 4.515 9.248 674 HD2 LYS 89 2HD LYS 89 15.736 4.936 6.740 675 HD3 LYS 89 3HD LYS 89 15.167 6.484 7.370 676 HE2 LYS 89 2HE LYS 89 17.362 6.934 6.754 677 HE3 LYS 89 3HE LYS 89 17.486 6.629 8.486 678 HZ1 LYS 89 3HZ LYS 89 18.097 4.303 7.910 679 HZ2 LYS 89 1HZ LYS 89 19.228 5.457 7.408 680 HZ3 LYS 89 2HZ LYS 89 18.171 4.764 6.284 681 H LYS 90 H LYS 90 14.478 1.072 9.858 682 HA LYS 90 HA LYS 90 16.953 1.085 11.143 683 HB2 LYS 90 2HB LYS 90 16.186 -0.786 12.377 684 HB3 LYS 90 3HB LYS 90 14.753 0.167 12.012 685 HG2 LYS 90 2HG LYS 90 13.929 -1.851 11.444 686 HG3 LYS 90 3HG LYS 90 14.718 -1.485 9.908 687 HD2 LYS 90 2HD LYS 90 15.362 -3.691 10.476 688 HD3 LYS 90 3HD LYS 90 16.758 -2.668 10.820 689 HE2 LYS 90 2HE LYS 90 16.710 -3.872 12.751 690 HE3 LYS 90 3HE LYS 90 15.619 -2.567 13.212 691 HZ1 LYS 90 3HZ LYS 90 13.774 -3.913 12.980 692 HZ2 LYS 90 1HZ LYS 90 14.910 -4.987 13.627 693 HZ3 LYS 90 2HZ LYS 90 14.560 -5.022 11.973 694 H VAL 91 H VAL 91 15.756 -0.902 8.492 695 HA VAL 91 HA VAL 91 17.999 -2.668 8.447 696 HB VAL 91 HB VAL 91 16.952 -3.758 6.758 697 HG11 VAL 91 1HG1 VAL 91 14.626 -3.740 7.033 698 HG12 VAL 91 2HG1 VAL 91 15.256 -3.150 8.572 699 HG13 VAL 91 3HG1 VAL 91 14.593 -2.015 7.396 700 HG21 VAL 91 3HG2 VAL 91 17.375 -2.196 5.017 701 HG22 VAL 91 1HG2 VAL 91 15.655 -2.580 4.952 702 HG23 VAL 91 2HG2 VAL 91 16.193 -1.057 5.662 703 H ILE 92 H ILE 92 17.151 0.321 6.793 704 HA ILE 92 HA ILE 92 19.269 0.266 4.909 705 HB ILE 92 HB ILE 92 18.003 2.785 5.955 706 HG12 ILE 92 2HG1 ILE 92 16.853 0.721 4.081 707 HG13 ILE 92 3HG1 ILE 92 16.120 1.401 5.529 708 HG21 ILE 92 1HG2 ILE 92 18.525 2.373 3.089 709 HG22 ILE 92 2HG2 ILE 92 18.812 3.784 4.106 710 HG23 ILE 92 3HG2 ILE 92 19.953 2.440 4.121 711 HD11 ILE 92 3HD1 ILE 92 15.968 3.577 4.385 712 HD12 ILE 92 1HD1 ILE 92 16.608 2.823 2.925 713 HD13 ILE 92 2HD1 ILE 92 15.054 2.303 3.578 714 H LYS 93 H LYS 93 18.888 1.894 8.045 715 HA LYS 93 HA LYS 93 21.427 3.129 8.049 716 HB2 LYS 93 2HB LYS 93 19.490 3.763 9.507 717 HB3 LYS 93 3HB LYS 93 19.789 2.311 10.454 718 HG2 LYS 93 2HG LYS 93 20.865 3.931 11.684 719 HG3 LYS 93 3HG LYS 93 22.181 3.271 10.712 720 HD2 LYS 93 2HD LYS 93 22.294 5.136 9.359 721 HD3 LYS 93 3HD LYS 93 20.621 5.597 9.678 722 HE2 LYS 93 2HE LYS 93 22.822 5.716 11.733 723 HE3 LYS 93 3HE LYS 93 22.343 7.082 10.728 724 HZ1 LYS 93 3HZ LYS 93 20.748 7.526 12.175 725 HZ2 LYS 93 1HZ LYS 93 21.184 6.192 13.119 726 HZ3 LYS 93 2HZ LYS 93 20.037 6.018 11.888 727 H ALA 94 H ALA 94 20.268 0.065 9.401 728 HA ALA 94 HA ALA 94 22.643 -0.684 10.697 729 HB1 ALA 94 1HB ALA 94 21.729 -2.985 10.593 730 HB2 ALA 94 2HB ALA 94 20.570 -1.799 11.193 731 HB3 ALA 94 3HB ALA 94 20.447 -2.392 9.537 732 H THR 95 H THR 95 21.501 -1.243 7.396 733 HA THR 95 HA THR 95 23.626 -2.940 6.611 734 HB THR 95 HB THR 95 21.841 -1.185 4.915 735 HG1 THR 95 HG1 THR 95 21.694 -3.988 5.398 736 HG21 THR 95 3HG2 THR 95 24.174 -2.647 4.208 737 HG22 THR 95 1HG2 THR 95 23.052 -1.793 3.149 738 HG23 THR 95 2HG2 THR 95 22.778 -3.491 3.539 739 H ALA 96 H ALA 96 23.149 0.555 6.459 740 HA ALA 96 HA ALA 96 25.426 1.157 4.908 741 HB1 ALA 96 1HB ALA 96 23.345 2.607 5.733 742 HB2 ALA 96 2HB ALA 96 24.534 3.126 6.929 743 HB3 ALA 96 3HB ALA 96 24.865 3.333 5.209 744 H GLU 97 H GLU 97 24.919 1.161 8.431 745 HA GLU 97 HA GLU 97 27.553 1.920 9.099 746 HB2 GLU 97 2HB GLU 97 26.997 1.146 11.363 747 HB3 GLU 97 3HB GLU 97 25.712 2.135 10.683 748 HG2 GLU 97 2HG GLU 97 24.236 0.431 10.629 749 HG3 GLU 97 3HG GLU 97 25.471 -0.776 10.279 750 H LYS 98 H LYS 98 26.064 -1.171 8.426 751 HA LYS 98 HA LYS 98 28.001 -2.880 9.490 752 HB2 LYS 98 2HB LYS 98 25.690 -3.418 8.460 753 HB3 LYS 98 3HB LYS 98 26.548 -3.476 6.926 754 HG2 LYS 98 2HG LYS 98 26.435 -5.695 7.679 755 HG3 LYS 98 3HG LYS 98 28.089 -5.169 8.003 756 HD2 LYS 98 2HD LYS 98 26.971 -4.493 10.333 757 HD3 LYS 98 3HD LYS 98 25.890 -5.814 9.884 758 HE2 LYS 98 2HE LYS 98 27.917 -7.233 9.520 759 HE3 LYS 98 3HE LYS 98 28.887 -5.922 10.187 760 HZ1 LYS 98 3HZ LYS 98 27.381 -7.899 11.550 761 HZ2 LYS 98 1HZ LYS 98 26.857 -6.354 12.000 762 HZ3 LYS 98 2HZ LYS 98 28.485 -6.780 12.175 763 H PHE 99 H PHE 99 27.853 -1.208 6.390 764 HA PHE 99 HA PHE 99 30.054 -2.495 5.186 765 HB2 PHE 99 2HB PHE 99 28.452 -0.061 4.670 766 HB3 PHE 99 3HB PHE 99 30.072 -0.074 3.981 767 HD1 PHE 99 HD2 PHE 99 26.971 -2.115 4.191 768 HD2 PHE 99 HD1 PHE 99 30.459 -1.130 1.959 769 HE1 PHE 99 HE2 PHE 99 26.157 -3.489 2.319 770 HE2 PHE 99 HE1 PHE 99 29.650 -2.501 0.084 771 HZ PHE 99 HZ PHE 99 27.497 -3.682 0.261 772 H LYS 100 H LYS 100 29.792 0.224 7.373 773 HA LYS 100 HA LYS 100 32.368 1.293 7.057 774 HB2 LYS 100 2HB LYS 100 30.592 2.482 8.239 775 HB3 LYS 100 3HB LYS 100 30.587 1.257 9.501 776 HG2 LYS 100 2HG LYS 100 32.717 1.915 10.282 777 HG3 LYS 100 3HG LYS 100 33.008 2.917 8.858 778 HD2 LYS 100 2HD LYS 100 30.768 3.438 10.802 779 HD3 LYS 100 3HD LYS 100 32.374 4.150 10.973 780 HE2 LYS 100 2HE LYS 100 32.018 4.919 8.523 781 HE3 LYS 100 3HE LYS 100 30.313 4.609 8.849 782 HZ1 LYS 100 3HZ LYS 100 31.034 6.055 10.991 783 HZ2 LYS 100 1HZ LYS 100 30.331 6.703 9.596 784 HZ3 LYS 100 2HZ LYS 100 32.010 6.745 9.795 785 H ASN 101 H ASN 101 31.205 -1.491 8.791 786 HA ASN 101 HA ASN 101 33.365 -1.866 10.550 787 HB2 ASN 101 2HB ASN 101 31.427 -3.824 9.310 788 HB3 ASN 101 3HB ASN 101 32.618 -4.287 10.522 789 HD21 ASN 101 1HD2 ASN 101 29.834 -2.240 9.902 790 HD22 ASN 101 2HD2 ASN 101 29.334 -2.103 11.550 791 H LYS 102 H LYS 102 33.169 -2.154 7.171 792 HA LYS 102 HA LYS 102 35.456 -3.970 7.011 793 HB2 LYS 102 2HB LYS 102 33.225 -3.330 5.295 794 HB3 LYS 102 3HB LYS 102 34.741 -3.123 4.428 795 HG2 LYS 102 2HG LYS 102 35.211 -5.496 5.582 796 HG3 LYS 102 3HG LYS 102 33.453 -5.573 5.442 797 HD2 LYS 102 2HD LYS 102 33.613 -5.100 3.054 798 HD3 LYS 102 3HD LYS 102 35.370 -4.981 3.186 799 HE2 LYS 102 2HE LYS 102 34.092 -7.466 4.177 800 HE3 LYS 102 3HE LYS 102 34.129 -7.218 2.432 801 HZ1 LYS 102 3HZ LYS 102 36.550 -6.867 2.625 802 HZ2 LYS 102 1HZ LYS 102 36.070 -8.420 3.095 803 HZ3 LYS 102 2HZ LYS 102 36.462 -7.266 4.267 804 H GLY 103 H GLY 103 34.888 -0.707 7.284 805 HA2 GLY 103 2HA GLY 103 36.691 0.846 7.418 806 HA3 GLY 103 3HA GLY 103 37.568 -0.116 6.237 807 H PHE 104 H PHE 104 34.355 1.431 6.326 808 HA PHE 104 HA PHE 104 35.106 3.003 3.973 809 HB2 PHE 104 2HB PHE 104 32.674 1.217 4.160 810 HB3 PHE 104 3HB PHE 104 32.885 2.459 2.931 811 HD1 PHE 104 HD2 PHE 104 34.417 -0.632 4.293 812 HD2 PHE 104 HD1 PHE 104 34.050 2.001 0.968 813 HE1 PHE 104 HE2 PHE 104 35.648 -2.236 2.891 814 HE2 PHE 104 HE1 PHE 104 35.279 0.400 -0.439 815 HZ PHE 104 HZ PHE 104 36.079 -1.721 0.521 816 H LYS 105 H LYS 105 33.614 4.788 3.544 817 HA LYS 105 HA LYS 105 32.677 5.944 6.041 818 HB2 LYS 105 2HB LYS 105 34.049 7.326 4.576 819 HB3 LYS 105 3HB LYS 105 32.902 7.108 3.260 820 HG2 LYS 105 2HG LYS 105 32.520 9.259 4.165 821 HG3 LYS 105 3HG LYS 105 31.184 8.235 4.698 822 HD2 LYS 105 2HD LYS 105 31.704 9.257 6.677 823 HD3 LYS 105 3HD LYS 105 32.773 7.855 6.777 824 HE2 LYS 105 2HE LYS 105 34.078 9.740 7.371 825 HE3 LYS 105 3HE LYS 105 34.562 9.292 5.736 826 HZ1 LYS 105 3HZ LYS 105 32.443 11.287 6.049 827 HZ2 LYS 105 1HZ LYS 105 33.626 11.148 4.847 828 HZ3 LYS 105 2HZ LYS 105 34.034 11.764 6.369 829 H VAL 106 H VAL 106 30.590 6.397 6.546 830 HA VAL 106 HA VAL 106 28.539 5.501 4.626 831 HB VAL 106 HB VAL 106 28.333 5.501 7.640 832 HG11 VAL 106 1HG1 VAL 106 26.162 5.739 6.801 833 HG12 VAL 106 2HG1 VAL 106 26.473 4.662 5.438 834 HG13 VAL 106 3HG1 VAL 106 26.337 4.005 7.070 835 HG21 VAL 106 3HG2 VAL 106 28.627 3.142 7.587 836 HG22 VAL 106 1HG2 VAL 106 28.587 3.113 5.824 837 HG23 VAL 106 2HG2 VAL 106 29.956 3.842 6.663 838 H GLU 107 H GLU 107 27.090 6.955 3.975 839 HA GLU 107 HA GLU 107 26.689 9.373 5.603 840 HB2 GLU 107 2HB GLU 107 28.124 10.013 3.773 841 HB3 GLU 107 3HB GLU 107 27.071 9.219 2.611 842 HG2 GLU 107 2HG GLU 107 25.443 10.861 2.765 843 HG3 GLU 107 3HG GLU 107 26.041 11.445 4.317 844 H THR 108 H THR 108 24.622 10.068 5.810 845 HA THR 108 HA THR 108 22.554 8.565 4.340 846 HB THR 108 HB THR 108 21.083 9.022 6.355 847 HG1 THR 108 HG1 THR 108 22.075 10.453 7.620 848 HG21 THR 108 3HG2 THR 108 22.597 7.295 7.771 849 HG22 THR 108 1HG2 THR 108 23.341 7.128 6.182 850 HG23 THR 108 2HG2 THR 108 21.616 6.821 6.384 851 H ASP 109 H ASP 109 21.054 9.705 3.269 852 HA ASP 109 HA ASP 109 20.735 12.559 3.878 853 HB2 ASP 109 2HB ASP 109 22.304 12.035 1.871 854 HB3 ASP 109 3HB ASP 109 20.815 11.625 1.024 855 H MET 110 H MET 110 18.725 13.469 3.192 856 HA MET 110 HA MET 110 16.679 11.598 2.275 857 HB2 MET 110 2HB MET 110 16.248 13.303 4.729 858 HB3 MET 110 3HB MET 110 15.160 12.092 4.064 859 HG2 MET 110 2HG MET 110 16.980 10.398 4.536 860 HG3 MET 110 3HG MET 110 17.775 11.664 5.469 861 HE1 MET 110 3HE MET 110 15.507 12.558 8.213 862 HE2 MET 110 1HE MET 110 16.988 11.631 8.459 863 HE3 MET 110 2HE MET 110 16.924 12.875 7.210 Start of MODEL 19 1 H1 MET 1 H MET 1 1.989 -0.689 0.723 2 HA MET 1 HA MET 1 1.377 -0.620 -2.117 3 HB2 MET 1 2HB MET 1 3.107 1.427 -2.133 4 HB3 MET 1 3HB MET 1 1.365 1.653 -2.057 5 HG2 MET 1 2HG MET 1 2.513 3.067 -0.452 6 HG3 MET 1 3HG MET 1 1.480 1.890 0.355 7 HE1 MET 1 3HE MET 1 5.303 0.511 -0.833 8 HE2 MET 1 1HE MET 1 4.776 2.124 -1.314 9 HE3 MET 1 2HE MET 1 5.981 1.934 -0.041 10 H THR 2 H THR 2 3.486 -0.497 -3.409 11 HA THR 2 HA THR 2 5.443 -2.243 -2.083 12 HB THR 2 HB THR 2 5.387 -1.806 -5.048 13 HG1 THR 2 HG1 THR 2 3.891 -3.594 -5.140 14 HG21 THR 2 3HG2 THR 2 6.966 -3.311 -3.377 15 HG22 THR 2 1HG2 THR 2 6.765 -3.577 -5.108 16 HG23 THR 2 2HG2 THR 2 5.787 -4.487 -3.956 17 H LEU 3 H LEU 3 7.474 -1.583 -1.744 18 HA LEU 3 HA LEU 3 8.333 0.937 -3.007 19 HB2 LEU 3 2HB LEU 3 8.042 0.352 -0.298 20 HB3 LEU 3 3HB LEU 3 9.777 0.266 -0.595 21 HG LEU 3 HG LEU 3 9.864 2.534 -1.278 22 HD11 LEU 3 1HD1 LEU 3 7.095 2.107 -1.924 23 HD12 LEU 3 2HD1 LEU 3 8.189 3.383 -2.458 24 HD13 LEU 3 3HD1 LEU 3 7.290 3.566 -0.952 25 HD21 LEU 3 3HD2 LEU 3 8.391 3.571 0.717 26 HD22 LEU 3 1HD2 LEU 3 9.940 2.764 0.967 27 HD23 LEU 3 2HD2 LEU 3 8.434 1.880 1.219 28 H CYS 4 H CYS 4 10.053 0.807 -4.282 29 HA CYS 4 HA CYS 4 11.865 -1.495 -3.956 30 HB2 CYS 4 2HB CYS 4 10.313 -1.041 -6.129 31 HB3 CYS 4 3HB CYS 4 11.759 -0.150 -6.589 32 HG CYS 4 HG CYS 4 11.722 -2.765 -7.718 33 H ALA 5 H ALA 5 14.084 -1.157 -4.266 34 HA ALA 5 HA ALA 5 14.966 1.638 -4.466 35 HB1 ALA 5 1HB ALA 5 14.836 0.534 -2.056 36 HB2 ALA 5 2HB ALA 5 16.406 -0.103 -2.544 37 HB3 ALA 5 3HB ALA 5 16.133 1.639 -2.513 38 H MET 6 H MET 6 16.863 1.958 -5.549 39 HA MET 6 HA MET 6 18.153 -0.452 -6.652 40 HB2 MET 6 2HB MET 6 17.034 0.794 -8.394 41 HB3 MET 6 3HB MET 6 17.803 2.288 -7.877 42 HG2 MET 6 2HG MET 6 20.012 1.091 -8.397 43 HG3 MET 6 3HG MET 6 19.013 -0.058 -9.283 44 HE1 MET 6 3HE MET 6 16.817 1.367 -10.674 45 HE2 MET 6 1HE MET 6 17.519 2.017 -12.156 46 HE3 MET 6 2HE MET 6 17.949 0.394 -11.615 47 H TYR 7 H TYR 7 20.206 -0.778 -6.116 48 HA TYR 7 HA TYR 7 21.793 1.524 -5.182 49 HB2 TYR 7 2HB TYR 7 22.754 0.240 -3.468 50 HB3 TYR 7 3HB TYR 7 21.053 -0.208 -3.426 51 HD1 TYR 7 HD1 TYR 7 20.364 -2.363 -4.620 52 HD2 TYR 7 HD2 TYR 7 24.409 -1.396 -3.724 53 HE1 TYR 7 HE1 TYR 7 20.978 -4.733 -4.860 54 HE2 TYR 7 HE2 TYR 7 25.034 -3.763 -3.962 55 HH TYR 7 HH TYR 7 22.611 -6.228 -4.789 56 H ASN 8 H ASN 8 23.996 1.551 -5.704 57 HA ASN 8 HA ASN 8 24.826 -0.396 -7.752 58 HB2 ASN 8 2HB ASN 8 25.939 1.363 -8.979 59 HB3 ASN 8 3HB ASN 8 24.260 1.832 -8.723 60 HD21 ASN 8 1HD2 ASN 8 23.859 3.736 -7.826 61 HD22 ASN 8 2HD2 ASN 8 25.032 4.756 -7.072 62 H ILE 9 H ILE 9 26.816 -1.266 -7.541 63 HA ILE 9 HA ILE 9 28.482 -0.274 -5.321 64 HB ILE 9 HB ILE 9 29.424 -2.685 -5.404 65 HG12 ILE 9 2HG1 ILE 9 27.924 -3.042 -7.548 66 HG13 ILE 9 3HG1 ILE 9 28.195 -4.356 -6.409 67 HG21 ILE 9 1HG2 ILE 9 28.361 -2.111 -3.441 68 HG22 ILE 9 2HG2 ILE 9 26.826 -1.785 -4.244 69 HG23 ILE 9 3HG2 ILE 9 27.361 -3.449 -4.008 70 HD11 ILE 9 3HD1 ILE 9 26.055 -4.295 -5.621 71 HD12 ILE 9 1HD1 ILE 9 25.842 -2.588 -6.007 72 HD13 ILE 9 2HD1 ILE 9 25.797 -3.796 -7.292 73 H SER 10 H SER 10 30.509 0.330 -5.756 74 HA SER 10 HA SER 10 31.583 -0.286 -8.431 75 HB2 SER 10 2HB SER 10 30.999 2.175 -7.685 76 HB3 SER 10 3HB SER 10 32.548 2.066 -6.848 77 HG SER 10 HG SER 10 33.103 2.776 -8.814 78 H MET 11 H MET 11 33.354 -1.493 -8.489 79 HA MET 11 HA MET 11 34.787 -2.036 -6.011 80 HB2 MET 11 2HB MET 11 35.817 -3.873 -7.215 81 HB3 MET 11 3HB MET 11 34.075 -3.914 -7.450 82 HG2 MET 11 2HG MET 11 35.556 -2.419 -9.490 83 HG3 MET 11 3HG MET 11 35.910 -4.144 -9.424 84 HE1 MET 11 3HE MET 11 33.915 -3.578 -12.444 85 HE2 MET 11 1HE MET 11 33.249 -2.093 -11.763 86 HE3 MET 11 2HE MET 11 34.970 -2.444 -11.599 87 H ALA 12 H ALA 12 34.996 0.249 -8.315 88 HA ALA 12 HA ALA 12 37.519 1.176 -7.574 89 HB1 ALA 12 1HB ALA 12 39.019 0.254 -8.942 90 HB2 ALA 12 2HB ALA 12 37.798 -0.977 -9.268 91 HB3 ALA 12 3HB ALA 12 37.960 0.411 -10.344 92 H GLY 13 H GLY 13 38.379 2.503 -9.837 93 HA2 GLY 13 2HA GLY 13 36.269 4.476 -10.112 94 HA3 GLY 13 3HA GLY 13 37.927 4.634 -10.671 95 H SER 14 H SER 14 35.539 2.108 -11.380 96 HA SER 14 HA SER 14 35.519 2.993 -14.183 97 HB2 SER 14 2HB SER 14 37.113 1.086 -13.878 98 HB3 SER 14 3HB SER 14 35.760 0.101 -13.321 99 HG SER 14 HG SER 14 36.228 1.182 -15.884 100 H HIS 15 H HIS 15 33.698 2.138 -15.428 101 HA HIS 15 HA HIS 15 31.251 2.682 -14.548 102 HB2 HIS 15 2HB HIS 15 32.188 0.592 -16.465 103 HB3 HIS 15 3HB HIS 15 30.480 0.632 -16.036 104 HD1 HIS 15 HD1 HIS 15 29.885 1.327 -18.470 105 HD2 HIS 15 HD2 HIS 15 32.282 4.047 -16.440 106 HE1 HIS 15 HE1 HIS 15 29.822 3.434 -19.842 107 HA PRO 16 HA PRO 16 30.888 -0.172 -11.072 108 HB2 PRO 16 2HB PRO 16 28.784 1.124 -9.948 109 HB3 PRO 16 3HB PRO 16 30.457 1.660 -9.754 110 HG2 PRO 16 2HG PRO 16 28.349 2.673 -11.622 111 HG3 PRO 16 3HG PRO 16 29.516 3.588 -10.650 112 HD2 PRO 16 2HD PRO 16 29.871 3.120 -13.293 113 HD3 PRO 16 3HD PRO 16 31.228 3.246 -12.155 114 H THR 17 H THR 17 28.711 -1.082 -10.048 115 HA THR 17 HA THR 17 27.055 -2.012 -12.302 116 HB THR 17 HB THR 17 27.351 -3.556 -9.743 117 HG1 THR 17 HG1 THR 17 29.090 -4.670 -10.740 118 HG21 THR 17 3HG2 THR 17 26.779 -5.443 -11.152 119 HG22 THR 17 1HG2 THR 17 26.828 -4.422 -12.589 120 HG23 THR 17 2HG2 THR 17 25.583 -4.165 -11.366 121 H THR 18 H THR 18 24.926 -1.667 -12.219 122 HA THR 18 HA THR 18 23.814 -0.540 -9.742 123 HB THR 18 HB THR 18 22.195 -0.391 -12.205 124 HG1 THR 18 HG1 THR 18 24.014 0.161 -13.259 125 HG21 THR 18 3HG2 THR 18 21.702 0.699 -9.975 126 HG22 THR 18 1HG2 THR 18 21.646 1.766 -11.377 127 HG23 THR 18 2HG2 THR 18 23.048 1.788 -10.307 128 H ILE 19 H ILE 19 21.938 -1.336 -8.840 129 HA ILE 19 HA ILE 19 20.654 -3.642 -10.098 130 HB ILE 19 HB ILE 19 22.143 -3.693 -7.519 131 HG12 ILE 19 2HG1 ILE 19 21.634 -5.617 -9.788 132 HG13 ILE 19 3HG1 ILE 19 23.151 -4.837 -9.355 133 HG21 ILE 19 1HG2 ILE 19 20.764 -5.601 -6.746 134 HG22 ILE 19 2HG2 ILE 19 19.893 -4.068 -6.755 135 HG23 ILE 19 3HG2 ILE 19 19.614 -5.248 -8.035 136 HD11 ILE 19 3HD1 ILE 19 21.716 -6.973 -7.800 137 HD12 ILE 19 1HD1 ILE 19 23.217 -7.145 -8.709 138 HD13 ILE 19 2HD1 ILE 19 23.173 -6.140 -7.260 139 H CYS 20 H CYS 20 18.506 -3.857 -9.625 140 HA CYS 20 HA CYS 20 17.366 -1.932 -7.710 141 HB2 CYS 20 2HB CYS 20 16.961 -1.170 -10.006 142 HB3 CYS 20 3HB CYS 20 16.228 -2.720 -10.399 143 HG CYS 20 HG CYS 20 14.831 -0.039 -9.137 144 H VAL 21 H VAL 21 16.399 -2.947 -6.094 145 HA VAL 21 HA VAL 21 14.749 -5.295 -6.652 146 HB VAL 21 HB VAL 21 15.662 -6.460 -4.642 147 HG11 VAL 21 1HG1 VAL 21 17.470 -5.926 -6.987 148 HG12 VAL 21 2HG1 VAL 21 17.817 -7.153 -5.767 149 HG13 VAL 21 3HG1 VAL 21 16.358 -7.274 -6.752 150 HG21 VAL 21 3HG2 VAL 21 17.874 -4.418 -4.846 151 HG22 VAL 21 1HG2 VAL 21 16.658 -4.481 -3.570 152 HG23 VAL 21 2HG2 VAL 21 17.819 -5.797 -3.748 153 H VAL 22 H VAL 22 13.116 -5.683 -5.111 154 HA VAL 22 HA VAL 22 12.042 -3.363 -3.902 155 HB VAL 22 HB VAL 22 10.345 -4.872 -2.934 156 HG11 VAL 22 1HG1 VAL 22 10.016 -4.065 -5.183 157 HG12 VAL 22 2HG1 VAL 22 11.017 -5.366 -5.833 158 HG13 VAL 22 3HG1 VAL 22 9.466 -5.737 -5.079 159 HG21 VAL 22 3HG2 VAL 22 10.848 -6.989 -2.489 160 HG22 VAL 22 1HG2 VAL 22 10.984 -7.306 -4.218 161 HG23 VAL 22 2HG2 VAL 22 12.405 -6.813 -3.298 162 H MET 23 H MET 23 11.587 -3.000 -1.654 163 HA MET 23 HA MET 23 13.786 -3.154 0.021 164 HB2 MET 23 2HB MET 23 12.028 -1.559 0.434 165 HB3 MET 23 3HB MET 23 10.861 -2.845 0.705 166 HG2 MET 23 2HG MET 23 13.006 -3.246 2.503 167 HG3 MET 23 3HG MET 23 12.551 -1.545 2.576 168 HE1 MET 23 3HE MET 23 11.640 -5.142 2.895 169 HE2 MET 23 1HE MET 23 10.143 -5.197 3.825 170 HE3 MET 23 2HE MET 23 10.093 -4.868 2.093 171 H ASP 24 H ASP 24 11.078 -5.372 -0.330 172 HA ASP 24 HA ASP 24 11.485 -6.960 1.924 173 HB2 ASP 24 2HB ASP 24 9.545 -7.036 0.271 174 HB3 ASP 24 3HB ASP 24 10.584 -8.029 -0.749 175 H ARG 25 H ARG 25 13.019 -7.052 -1.248 176 HA ARG 25 HA ARG 25 14.726 -9.266 -0.349 177 HB2 ARG 25 2HB ARG 25 14.201 -8.136 -3.102 178 HB3 ARG 25 3HB ARG 25 15.395 -9.383 -2.768 179 HG2 ARG 25 2HG ARG 25 13.433 -10.691 -1.741 180 HG3 ARG 25 3HG ARG 25 12.413 -9.547 -2.617 181 HD2 ARG 25 2HD ARG 25 13.427 -10.189 -4.713 182 HD3 ARG 25 3HD ARG 25 14.569 -11.239 -3.875 183 HE ARG 25 HE ARG 25 11.814 -11.898 -3.386 184 HH11 ARG 25 1HH1 ARG 25 14.537 -12.356 -5.506 185 HH12 ARG 25 2HH1 ARG 25 13.969 -13.872 -6.121 186 HH21 ARG 25 1HH2 ARG 25 11.056 -13.894 -4.188 187 HH22 ARG 25 2HH2 ARG 25 11.989 -14.746 -5.372 188 H PHE 26 H PHE 26 14.709 -5.925 -0.660 189 HA PHE 26 HA PHE 26 17.350 -5.407 -1.506 190 HB2 PHE 26 2HB PHE 26 15.512 -3.715 -1.400 191 HB3 PHE 26 3HB PHE 26 15.660 -3.724 0.354 192 HD1 PHE 26 HD1 PHE 26 18.377 -3.844 -2.166 193 HD2 PHE 26 HD2 PHE 26 16.385 -1.560 0.822 194 HE1 PHE 26 HE1 PHE 26 20.135 -2.129 -2.310 195 HE2 PHE 26 HE2 PHE 26 18.139 0.160 0.682 196 HZ PHE 26 HZ PHE 26 20.017 -0.123 -0.887 197 H LEU 27 H LEU 27 15.932 -5.793 1.723 198 HA LEU 27 HA LEU 27 18.221 -5.243 3.224 199 HB2 LEU 27 2HB LEU 27 16.347 -5.331 4.525 200 HB3 LEU 27 3HB LEU 27 15.698 -6.737 3.684 201 HG LEU 27 HG LEU 27 17.311 -8.168 4.876 202 HD11 LEU 27 1HD1 LEU 27 19.141 -7.166 5.663 203 HD12 LEU 27 2HD1 LEU 27 18.138 -6.669 7.026 204 HD13 LEU 27 3HD1 LEU 27 18.377 -5.576 5.663 205 HD21 LEU 27 3HD2 LEU 27 15.365 -8.294 6.025 206 HD22 LEU 27 1HD2 LEU 27 15.239 -6.546 6.222 207 HD23 LEU 27 2HD2 LEU 27 16.318 -7.475 7.264 208 H GLU 28 H GLU 28 16.983 -8.361 2.040 209 HA GLU 28 HA GLU 28 19.145 -9.885 3.071 210 HB2 GLU 28 2HB GLU 28 16.748 -10.595 2.215 211 HB3 GLU 28 3HB GLU 28 17.595 -10.803 0.689 212 HG2 GLU 28 2HG GLU 28 19.264 -12.197 2.107 213 HG3 GLU 28 3HG GLU 28 17.928 -12.287 3.254 214 H SER 29 H SER 29 18.413 -8.603 -0.158 215 HA SER 29 HA SER 29 20.575 -9.664 -1.540 216 HB2 SER 29 2HB SER 29 20.221 -7.907 -3.176 217 HB3 SER 29 3HB SER 29 18.655 -8.458 -2.579 218 HG SER 29 HG SER 29 19.944 -6.022 -2.221 219 H PHE 30 H PHE 30 20.345 -6.462 0.012 220 HA PHE 30 HA PHE 30 22.956 -5.632 -0.484 221 HB2 PHE 30 2HB PHE 30 20.765 -4.558 0.784 222 HB3 PHE 30 3HB PHE 30 21.901 -4.772 2.113 223 HD1 PHE 30 HD1 PHE 30 24.420 -4.350 0.422 224 HD2 PHE 30 HD2 PHE 30 20.771 -2.185 0.763 225 HE1 PHE 30 HE1 PHE 30 25.585 -2.287 -0.243 226 HE2 PHE 30 HE2 PHE 30 21.930 -0.119 0.098 227 HZ PHE 30 HZ PHE 30 24.340 -0.169 -0.406 228 H SER 31 H SER 31 21.634 -7.341 2.336 229 HA SER 31 HA SER 31 23.919 -7.447 3.898 230 HB2 SER 31 2HB SER 31 21.613 -8.195 4.571 231 HB3 SER 31 3HB SER 31 21.886 -9.675 3.652 232 HG SER 31 HG SER 31 22.725 -10.349 5.461 233 H GLU 32 H GLU 32 22.873 -9.658 1.331 234 HA GLU 32 HA GLU 32 25.087 -11.426 1.618 235 HB2 GLU 32 2HB GLU 32 22.822 -11.923 0.540 236 HB3 GLU 32 3HB GLU 32 23.434 -11.081 -0.876 237 HG2 GLU 32 2HG GLU 32 23.777 -13.383 -1.251 238 HG3 GLU 32 3HG GLU 32 25.356 -12.690 -0.884 239 H LEU 33 H LEU 33 24.387 -8.665 -0.466 240 HA LEU 33 HA LEU 33 26.521 -8.864 -2.235 241 HB2 LEU 33 2HB LEU 33 24.716 -7.287 -2.553 242 HB3 LEU 33 3HB LEU 33 25.194 -6.405 -1.105 243 HG LEU 33 HG LEU 33 25.793 -5.448 -3.432 244 HD11 LEU 33 1HD1 LEU 33 26.995 -4.097 -2.154 245 HD12 LEU 33 2HD1 LEU 33 28.293 -5.289 -2.087 246 HD13 LEU 33 3HD1 LEU 33 27.009 -5.316 -0.880 247 HD21 LEU 33 3HD2 LEU 33 27.475 -6.360 -4.642 248 HD22 LEU 33 1HD2 LEU 33 26.905 -7.843 -3.875 249 HD23 LEU 33 2HD2 LEU 33 28.305 -6.993 -3.220 250 H TYR 34 H TYR 34 26.390 -7.513 1.016 251 HA TYR 34 HA TYR 34 28.961 -6.339 1.005 252 HB2 TYR 34 2HB TYR 34 27.615 -5.550 2.722 253 HB3 TYR 34 3HB TYR 34 27.021 -7.155 3.135 254 HD1 TYR 34 HD2 TYR 34 29.751 -4.751 3.576 255 HD2 TYR 34 HD1 TYR 34 28.284 -8.609 4.608 256 HE1 TYR 34 HE2 TYR 34 31.398 -4.884 5.398 257 HE2 TYR 34 HE1 TYR 34 29.926 -8.752 6.434 258 HH TYR 34 HH TYR 34 31.221 -6.984 7.886 259 H ASP 35 H ASP 35 27.811 -9.577 1.647 260 HA ASP 35 HA ASP 35 30.246 -10.522 2.812 261 HB2 ASP 35 2HB ASP 35 27.620 -11.531 2.391 262 HB3 ASP 35 3HB ASP 35 28.751 -12.667 1.661 263 H ILE 36 H ILE 36 28.934 -10.331 -0.424 264 HA ILE 36 HA ILE 36 31.124 -11.912 -1.520 265 HB ILE 36 HB ILE 36 28.966 -12.338 -2.493 266 HG12 ILE 36 2HG1 ILE 36 31.210 -11.875 -3.925 267 HG13 ILE 36 3HG1 ILE 36 29.706 -12.448 -4.639 268 HG21 ILE 36 1HG2 ILE 36 27.782 -10.334 -2.016 269 HG22 ILE 36 2HG2 ILE 36 28.889 -9.372 -2.995 270 HG23 ILE 36 3HG2 ILE 36 27.795 -10.518 -3.770 271 HD11 ILE 36 3HD1 ILE 36 29.166 -10.334 -5.470 272 HD12 ILE 36 1HD1 ILE 36 30.339 -9.528 -4.428 273 HD13 ILE 36 2HD1 ILE 36 30.892 -10.515 -5.781 274 H ILE 37 H ILE 37 30.369 -8.664 -0.868 275 HA ILE 37 HA ILE 37 31.611 -7.293 -2.951 276 HB ILE 37 HB ILE 37 30.263 -6.332 -0.999 277 HG12 ILE 37 2HG1 ILE 37 31.905 -4.234 -1.000 278 HG13 ILE 37 3HG1 ILE 37 32.677 -5.151 -2.289 279 HG21 ILE 37 1HG2 ILE 37 32.763 -5.713 0.412 280 HG22 ILE 37 2HG2 ILE 37 31.160 -6.080 1.047 281 HG23 ILE 37 3HG2 ILE 37 32.228 -7.388 0.539 282 HD11 ILE 37 3HD1 ILE 37 31.218 -3.850 -3.471 283 HD12 ILE 37 1HD1 ILE 37 30.246 -5.301 -3.229 284 HD13 ILE 37 2HD1 ILE 37 29.988 -3.886 -2.208 285 H ASP 38 H ASP 38 32.972 -9.251 -0.496 286 HA ASP 38 HA ASP 38 35.582 -8.053 -0.507 287 HB2 ASP 38 2HB ASP 38 34.884 -9.236 1.473 288 HB3 ASP 38 3HB ASP 38 34.570 -10.700 0.546 289 H GLU 39 H GLU 39 33.922 -10.457 -2.368 290 HA GLU 39 HA GLU 39 35.977 -11.996 -3.374 291 HB2 GLU 39 2HB GLU 39 33.427 -11.016 -4.639 292 HB3 GLU 39 3HB GLU 39 34.531 -12.083 -5.496 293 HG2 GLU 39 2HG GLU 39 33.240 -12.699 -2.848 294 HG3 GLU 39 3HG GLU 39 32.678 -13.281 -4.415 295 H ASN 40 H ASN 40 34.745 -8.930 -4.704 296 HA ASN 40 HA ASN 40 35.738 -7.323 -5.974 297 HB2 ASN 40 2HB ASN 40 37.617 -7.795 -4.231 298 HB3 ASN 40 3HB ASN 40 38.419 -8.613 -5.569 299 HD21 ASN 40 1HD2 ASN 40 36.555 -5.614 -5.189 300 HD22 ASN 40 2HD2 ASN 40 37.721 -4.594 -5.952 301 H ASP 41 H ASP 41 35.213 -10.260 -6.882 302 HA ASP 41 HA ASP 41 36.818 -10.259 -9.331 303 HB2 ASP 41 2HB ASP 41 36.339 -12.322 -7.747 304 HB3 ASP 41 3HB ASP 41 34.857 -12.421 -8.693 305 H THR 42 H THR 42 35.979 -9.921 -11.317 306 HA THR 42 HA THR 42 33.484 -8.599 -11.554 307 HB THR 42 HB THR 42 33.895 -8.586 -13.961 308 HG1 THR 42 HG1 THR 42 35.379 -9.874 -14.882 309 HG21 THR 42 3HG2 THR 42 36.592 -8.158 -12.735 310 HG22 THR 42 1HG2 THR 42 35.231 -7.149 -12.248 311 HG23 THR 42 2HG2 THR 42 35.743 -7.184 -13.935 312 H ASP 43 H ASP 43 34.578 -11.862 -12.375 313 HA ASP 43 HA ASP 43 32.206 -12.704 -13.647 314 HB2 ASP 43 2HB ASP 43 34.224 -14.398 -12.160 315 HB3 ASP 43 3HB ASP 43 33.060 -14.969 -13.352 316 H VAL 44 H VAL 44 33.312 -12.960 -10.289 317 HA VAL 44 HA VAL 44 31.030 -14.393 -9.375 318 HB VAL 44 HB VAL 44 33.023 -12.740 -7.818 319 HG11 VAL 44 1HG1 VAL 44 31.533 -12.953 -6.160 320 HG12 VAL 44 2HG1 VAL 44 30.609 -14.185 -7.022 321 HG13 VAL 44 3HG1 VAL 44 32.049 -14.639 -6.110 322 HG21 VAL 44 3HG2 VAL 44 33.100 -15.653 -7.593 323 HG22 VAL 44 1HG2 VAL 44 33.471 -15.054 -9.209 324 HG23 VAL 44 2HG2 VAL 44 34.412 -14.498 -7.825 325 H MET 45 H MET 45 31.907 -10.975 -9.480 326 HA MET 45 HA MET 45 29.668 -10.060 -7.986 327 HB2 MET 45 2HB MET 45 31.749 -8.788 -9.705 328 HB3 MET 45 3HB MET 45 30.307 -7.860 -9.318 329 HG2 MET 45 2HG MET 45 31.840 -9.198 -7.138 330 HG3 MET 45 3HG MET 45 32.418 -7.681 -7.821 331 HE1 MET 45 3HE MET 45 29.404 -5.970 -8.241 332 HE2 MET 45 1HE MET 45 30.003 -5.052 -6.859 333 HE3 MET 45 2HE MET 45 31.133 -5.662 -8.068 334 H MET 46 H MET 46 30.345 -10.317 -11.459 335 HA MET 46 HA MET 46 27.918 -9.167 -12.331 336 HB2 MET 46 2HB MET 46 28.496 -9.934 -14.500 337 HB3 MET 46 3HB MET 46 30.013 -9.533 -13.706 338 HG2 MET 46 2HG MET 46 30.425 -11.877 -13.252 339 HG3 MET 46 3HG MET 46 28.875 -12.306 -13.970 340 HE1 MET 46 3HE MET 46 31.149 -9.456 -15.376 341 HE2 MET 46 1HE MET 46 32.341 -10.565 -14.696 342 HE3 MET 46 2HE MET 46 32.240 -10.343 -16.442 343 H ASP 47 H ASP 47 28.861 -12.474 -11.564 344 HA ASP 47 HA ASP 47 26.462 -13.681 -12.512 345 HB2 ASP 47 2HB ASP 47 28.826 -14.547 -10.937 346 HB3 ASP 47 3HB ASP 47 27.356 -15.498 -10.747 347 H PHE 48 H PHE 48 27.573 -12.573 -9.341 348 HA PHE 48 HA PHE 48 25.266 -13.478 -7.936 349 HB2 PHE 48 2HB PHE 48 27.176 -13.184 -6.599 350 HB3 PHE 48 3HB PHE 48 27.514 -11.594 -7.274 351 HD1 PHE 48 HD1 PHE 48 25.506 -13.480 -4.874 352 HD2 PHE 48 HD2 PHE 48 26.357 -9.632 -6.480 353 HE1 PHE 48 HE1 PHE 48 24.323 -12.435 -2.986 354 HE2 PHE 48 HE2 PHE 48 25.176 -8.580 -4.595 355 HZ PHE 48 HZ PHE 48 24.158 -9.982 -2.844 356 H ILE 49 H ILE 49 26.275 -10.344 -9.248 357 HA ILE 49 HA ILE 49 24.097 -8.841 -8.309 358 HB ILE 49 HB ILE 49 26.199 -8.473 -10.336 359 HG12 ILE 49 2HG1 ILE 49 25.700 -6.050 -9.195 360 HG13 ILE 49 3HG1 ILE 49 25.093 -7.136 -7.950 361 HG21 ILE 49 1HG2 ILE 49 23.526 -7.122 -10.579 362 HG22 ILE 49 2HG2 ILE 49 25.006 -6.424 -11.233 363 HG23 ILE 49 3HG2 ILE 49 24.434 -7.985 -11.820 364 HD11 ILE 49 3HD1 ILE 49 27.857 -7.204 -9.136 365 HD12 ILE 49 1HD1 ILE 49 27.419 -6.522 -7.570 366 HD13 ILE 49 2HD1 ILE 49 27.246 -8.254 -7.858 367 H SER 50 H SER 50 24.603 -10.481 -11.423 368 HA SER 50 HA SER 50 22.140 -9.744 -12.569 369 HB2 SER 50 2HB SER 50 24.267 -10.817 -13.650 370 HB3 SER 50 3HB SER 50 23.481 -12.343 -13.245 371 HG SER 50 HG SER 50 22.619 -10.311 -14.996 372 H ARG 51 H ARG 51 23.091 -12.456 -10.539 373 HA ARG 51 HA ARG 51 20.603 -13.848 -10.810 374 HB2 ARG 51 2HB ARG 51 22.734 -14.983 -10.245 375 HB3 ARG 51 3HB ARG 51 22.743 -14.149 -8.696 376 HG2 ARG 51 2HG ARG 51 20.746 -15.295 -8.007 377 HG3 ARG 51 3HG ARG 51 20.577 -16.034 -9.601 378 HD2 ARG 51 2HD ARG 51 23.056 -16.445 -7.969 379 HD3 ARG 51 3HD ARG 51 21.614 -17.418 -7.680 380 HE ARG 51 HE ARG 51 23.445 -17.674 -9.850 381 HH11 ARG 51 1HH1 ARG 51 20.104 -18.047 -8.945 382 HH12 ARG 51 2HH1 ARG 51 19.776 -19.247 -10.151 383 HH21 ARG 51 1HH2 ARG 51 23.026 -19.254 -11.441 384 HH22 ARG 51 2HH2 ARG 51 21.439 -19.934 -11.569 385 H PHE 52 H PHE 52 21.878 -11.399 -8.688 386 HA PHE 52 HA PHE 52 19.611 -11.647 -6.865 387 HB2 PHE 52 2HB PHE 52 22.267 -10.329 -6.772 388 HB3 PHE 52 3HB PHE 52 20.965 -9.531 -5.897 389 HD1 PHE 52 HD1 PHE 52 21.675 -13.150 -6.391 390 HD2 PHE 52 HD2 PHE 52 21.367 -9.904 -3.655 391 HE1 PHE 52 HE1 PHE 52 21.989 -14.708 -4.513 392 HE2 PHE 52 HE2 PHE 52 21.681 -11.457 -1.772 393 HZ PHE 52 HZ PHE 52 21.992 -13.862 -2.200 394 H ALA 53 H ALA 53 20.326 -10.094 -9.716 395 HA ALA 53 HA ALA 53 18.818 -7.670 -9.132 396 HB1 ALA 53 1HB ALA 53 20.539 -8.599 -11.370 397 HB2 ALA 53 2HB ALA 53 19.303 -7.388 -11.714 398 HB3 ALA 53 3HB ALA 53 20.541 -7.064 -10.500 399 H ARG 54 H ARG 54 16.969 -7.043 -10.384 400 HA ARG 54 HA ARG 54 15.559 -9.218 -11.751 401 HB2 ARG 54 2HB ARG 54 14.775 -9.188 -9.410 402 HB3 ARG 54 3HB ARG 54 14.327 -7.498 -9.592 403 HG2 ARG 54 2HG ARG 54 12.366 -8.863 -9.785 404 HG3 ARG 54 3HG ARG 54 12.729 -8.150 -11.358 405 HD2 ARG 54 2HD ARG 54 13.557 -10.182 -12.205 406 HD3 ARG 54 3HD ARG 54 13.679 -10.895 -10.597 407 HE ARG 54 HE ARG 54 10.995 -10.196 -11.347 408 HH11 ARG 54 1HH1 ARG 54 13.469 -12.640 -11.514 409 HH12 ARG 54 2HH1 ARG 54 12.349 -13.942 -11.745 410 HH21 ARG 54 1HH2 ARG 54 9.511 -11.902 -11.651 411 HH22 ARG 54 2HH2 ARG 54 10.099 -13.521 -11.824 412 H THR 55 H THR 55 14.787 -8.560 -13.641 413 HA THR 55 HA THR 55 14.918 -5.799 -14.402 414 HB THR 55 HB THR 55 14.155 -6.529 -16.589 415 HG1 THR 55 HG1 THR 55 12.895 -8.215 -16.707 416 HG21 THR 55 3HG2 THR 55 16.423 -7.633 -15.218 417 HG22 THR 55 1HG2 THR 55 16.274 -7.142 -16.905 418 HG23 THR 55 2HG2 THR 55 15.835 -8.780 -16.421 419 H ASP 56 H ASP 56 13.345 -5.302 -12.540 420 HA ASP 56 HA ASP 56 10.628 -5.224 -13.668 421 HB2 ASP 56 2HB ASP 56 11.402 -6.593 -11.335 422 HB3 ASP 56 3HB ASP 56 10.572 -5.140 -10.786 423 H GLU 57 H GLU 57 9.316 -3.426 -12.907 424 HA GLU 57 HA GLU 57 10.950 -1.129 -12.045 425 HB2 GLU 57 2HB GLU 57 8.558 -0.973 -13.878 426 HB3 GLU 57 3HB GLU 57 9.690 0.312 -13.485 427 HG2 GLU 57 2HG GLU 57 11.441 -0.763 -14.704 428 HG3 GLU 57 3HG GLU 57 10.449 -2.199 -14.954 429 H ILE 58 H ILE 58 8.988 0.734 -11.691 430 HA ILE 58 HA ILE 58 7.447 -0.417 -9.462 431 HB ILE 58 HB ILE 58 7.294 2.101 -8.802 432 HG12 ILE 58 2HG1 ILE 58 8.510 2.605 -11.091 433 HG13 ILE 58 3HG1 ILE 58 8.847 3.574 -9.660 434 HG21 ILE 58 1HG2 ILE 58 9.797 0.450 -8.515 435 HG22 ILE 58 2HG2 ILE 58 9.443 1.893 -7.566 436 HG23 ILE 58 3HG2 ILE 58 8.403 0.475 -7.435 437 HD11 ILE 58 3HD1 ILE 58 10.935 2.680 -9.383 438 HD12 ILE 58 1HD1 ILE 58 10.524 1.179 -10.212 439 HD13 ILE 58 2HD1 ILE 58 10.786 2.657 -11.140 440 H MET 59 H MET 59 5.291 -0.371 -9.517 441 HA MET 59 HA MET 59 3.941 0.595 -11.848 442 HB2 MET 59 2HB MET 59 3.074 -0.758 -9.314 443 HB3 MET 59 3HB MET 59 1.878 -0.078 -10.409 444 HG2 MET 59 2HG MET 59 3.947 -2.115 -11.193 445 HG3 MET 59 3HG MET 59 2.286 -2.491 -10.743 446 HE1 MET 59 3HE MET 59 3.266 -2.667 -14.756 447 HE2 MET 59 1HE MET 59 4.098 -3.100 -13.263 448 HE3 MET 59 2HE MET 59 2.487 -3.739 -13.591 449 HA PRO 60 HA PRO 60 2.589 4.575 -10.593 450 HB2 PRO 60 2HB PRO 60 -0.003 4.631 -11.399 451 HB3 PRO 60 3HB PRO 60 1.356 4.681 -12.529 452 HG2 PRO 60 2HG PRO 60 -0.353 2.359 -11.722 453 HG3 PRO 60 3HG PRO 60 0.226 2.815 -13.335 454 HD2 PRO 60 2HD PRO 60 1.396 0.865 -11.864 455 HD3 PRO 60 3HD PRO 60 2.310 1.896 -12.984 456 H GLU 61 H GLU 61 0.942 1.801 -9.355 457 HA GLU 61 HA GLU 61 -0.616 3.325 -7.436 458 HB2 GLU 61 2HB GLU 61 -1.668 1.313 -6.867 459 HB3 GLU 61 3HB GLU 61 -1.362 1.154 -8.591 460 HG2 GLU 61 2HG GLU 61 0.861 0.018 -7.716 461 HG3 GLU 61 3HG GLU 61 -0.150 -0.288 -6.305 462 H ASP 62 H ASP 62 2.471 1.902 -7.648 463 HA ASP 62 HA ASP 62 2.775 1.990 -4.718 464 HB2 ASP 62 2HB ASP 62 4.702 0.587 -6.547 465 HB3 ASP 62 3HB ASP 62 4.397 0.307 -4.835 466 H LYS 63 H LYS 63 5.615 1.946 -4.761 467 HA LYS 63 HA LYS 63 6.515 4.258 -6.240 468 HB2 LYS 63 2HB LYS 63 7.306 5.049 -3.733 469 HB3 LYS 63 3HB LYS 63 5.962 5.733 -4.639 470 HG2 LYS 63 2HG LYS 63 4.377 4.491 -3.452 471 HG3 LYS 63 3HG LYS 63 5.593 3.373 -2.829 472 HD2 LYS 63 2HD LYS 63 5.266 4.681 -0.978 473 HD3 LYS 63 3HD LYS 63 6.574 5.574 -1.757 474 HE2 LYS 63 2HE LYS 63 5.069 7.254 -1.260 475 HE3 LYS 63 3HE LYS 63 4.648 6.864 -2.926 476 HZ1 LYS 63 3HZ LYS 63 3.207 6.140 -0.451 477 HZ2 LYS 63 1HZ LYS 63 2.948 5.298 -1.896 478 HZ3 LYS 63 2HZ LYS 63 2.622 6.956 -1.812 479 H THR 64 H THR 64 8.830 4.870 -5.217 480 HA THR 64 HA THR 64 10.253 2.312 -4.862 481 HB THR 64 HB THR 64 10.650 4.413 -6.807 482 HG1 THR 64 HG1 THR 64 12.157 2.695 -7.560 483 HG21 THR 64 3HG2 THR 64 13.126 4.507 -6.620 484 HG22 THR 64 1HG2 THR 64 13.004 3.716 -5.049 485 HG23 THR 64 2HG2 THR 64 12.298 5.314 -5.289 486 H VAL 65 H VAL 65 11.522 2.114 -3.125 487 HA VAL 65 HA VAL 65 11.479 3.874 -0.993 488 HB VAL 65 HB VAL 65 13.895 2.162 -1.398 489 HG11 VAL 65 1HG1 VAL 65 13.899 3.203 0.682 490 HG12 VAL 65 2HG1 VAL 65 12.160 3.000 0.897 491 HG13 VAL 65 3HG1 VAL 65 13.235 1.608 1.030 492 HG21 VAL 65 3HG2 VAL 65 12.650 0.389 -1.939 493 HG22 VAL 65 1HG2 VAL 65 12.018 0.460 -0.294 494 HG23 VAL 65 2HG2 VAL 65 11.146 1.248 -1.608 495 H GLY 66 H GLY 66 13.997 3.496 -3.479 496 HA2 GLY 66 2HA GLY 66 14.692 6.030 -3.967 497 HA3 GLY 66 3HA GLY 66 15.469 5.767 -2.413 498 H PHE 67 H PHE 67 17.414 6.273 -3.716 499 HA PHE 67 HA PHE 67 18.444 3.822 -4.983 500 HB2 PHE 67 2HB PHE 67 19.627 5.107 -6.617 501 HB3 PHE 67 3HB PHE 67 17.962 5.680 -6.619 502 HD1 PHE 67 HD2 PHE 67 17.400 7.867 -5.689 503 HD2 PHE 67 HD1 PHE 67 21.428 6.510 -5.907 504 HE1 PHE 67 HE2 PHE 67 18.191 10.168 -5.324 505 HE2 PHE 67 HE1 PHE 67 22.226 8.809 -5.541 506 HZ PHE 67 HZ PHE 67 20.607 10.642 -5.250 507 H VAL 68 H VAL 68 20.455 3.166 -4.391 508 HA VAL 68 HA VAL 68 21.851 4.824 -2.392 509 HB VAL 68 HB VAL 68 21.968 1.815 -2.580 510 HG11 VAL 68 1HG1 VAL 68 23.206 3.872 -0.855 511 HG12 VAL 68 2HG1 VAL 68 22.644 2.401 -0.057 512 HG13 VAL 68 3HG1 VAL 68 23.819 2.300 -1.368 513 HG21 VAL 68 3HG2 VAL 68 19.894 1.828 -1.741 514 HG22 VAL 68 1HG2 VAL 68 20.635 2.418 -0.253 515 HG23 VAL 68 2HG2 VAL 68 19.947 3.559 -1.408 516 H VAL 69 H VAL 69 23.904 5.368 -2.788 517 HA VAL 69 HA VAL 69 25.232 4.119 -5.102 518 HB VAL 69 HB VAL 69 25.800 6.836 -3.913 519 HG11 VAL 69 1HG1 VAL 69 26.638 5.742 -6.588 520 HG12 VAL 69 2HG1 VAL 69 27.196 7.214 -5.790 521 HG13 VAL 69 3HG1 VAL 69 27.645 5.635 -5.145 522 HG21 VAL 69 3HG2 VAL 69 24.772 7.343 -6.362 523 HG22 VAL 69 1HG2 VAL 69 23.820 5.933 -5.894 524 HG23 VAL 69 2HG2 VAL 69 23.830 7.371 -4.872 525 H VAL 70 H VAL 70 26.910 2.858 -4.680 526 HA VAL 70 HA VAL 70 28.472 3.356 -2.230 527 HB VAL 70 HB VAL 70 27.688 0.700 -3.430 528 HG11 VAL 70 1HG1 VAL 70 29.027 0.174 -1.080 529 HG12 VAL 70 2HG1 VAL 70 29.662 -0.055 -2.711 530 HG13 VAL 70 3HG1 VAL 70 30.004 1.435 -1.832 531 HG21 VAL 70 3HG2 VAL 70 27.116 0.610 -0.770 532 HG22 VAL 70 1HG2 VAL 70 26.795 2.304 -1.144 533 HG23 VAL 70 2HG2 VAL 70 25.959 1.030 -2.033 534 H ASN 71 H ASN 71 30.461 3.986 -2.709 535 HA ASN 71 HA ASN 71 31.749 2.873 -5.116 536 HB2 ASN 71 2HB ASN 71 32.355 5.576 -3.911 537 HB3 ASN 71 3HB ASN 71 32.886 4.948 -5.468 538 HD21 ASN 71 1HD2 ASN 71 30.313 6.403 -3.692 539 HD22 ASN 71 2HD2 ASN 71 29.270 6.702 -5.036 540 H ALA 72 H ALA 72 33.160 1.385 -4.456 541 HA ALA 72 HA ALA 72 34.413 1.428 -1.895 542 HB1 ALA 72 1HB ALA 72 35.437 -0.601 -2.514 543 HB2 ALA 72 2HB ALA 72 33.847 -0.621 -3.278 544 HB3 ALA 72 3HB ALA 72 35.280 -0.247 -4.235 545 H ASP 73 H ASP 73 35.309 2.501 -5.094 546 HA ASP 73 HA ASP 73 38.076 2.712 -4.786 547 HB2 ASP 73 2HB ASP 73 36.953 2.985 -6.948 548 HB3 ASP 73 3HB ASP 73 36.218 4.484 -6.387 549 H LYS 74 H LYS 74 35.482 4.907 -3.850 550 HA LYS 74 HA LYS 74 37.419 6.812 -2.773 551 HB2 LYS 74 2HB LYS 74 35.377 7.507 -4.137 552 HB3 LYS 74 3HB LYS 74 34.415 7.071 -2.730 553 HG2 LYS 74 2HG LYS 74 34.853 9.461 -2.796 554 HG3 LYS 74 3HG LYS 74 35.610 8.714 -1.387 555 HD2 LYS 74 2HD LYS 74 37.674 9.259 -2.073 556 HD3 LYS 74 3HD LYS 74 37.340 8.784 -3.740 557 HE2 LYS 74 2HE LYS 74 37.763 11.095 -3.828 558 HE3 LYS 74 3HE LYS 74 36.009 10.942 -3.924 559 HZ1 LYS 74 3HZ LYS 74 37.405 12.489 -2.156 560 HZ2 LYS 74 1HZ LYS 74 36.916 11.161 -1.228 561 HZ3 LYS 74 2HZ LYS 74 35.765 12.086 -2.052 562 H LYS 75 H LYS 75 35.467 4.214 -1.771 563 HA LYS 75 HA LYS 75 35.201 3.217 0.262 564 HB2 LYS 75 2HB LYS 75 36.825 5.404 1.538 565 HB3 LYS 75 3HB LYS 75 36.648 3.730 2.048 566 HG2 LYS 75 2HG LYS 75 37.795 3.204 -0.231 567 HG3 LYS 75 3HG LYS 75 38.337 4.881 -0.124 568 HD2 LYS 75 2HD LYS 75 38.695 2.971 2.164 569 HD3 LYS 75 3HD LYS 75 39.860 3.048 0.840 570 HE2 LYS 75 2HE LYS 75 39.017 5.545 2.256 571 HE3 LYS 75 3HE LYS 75 40.232 4.488 2.973 572 HZ1 LYS 75 3HZ LYS 75 41.748 5.343 1.628 573 HZ2 LYS 75 1HZ LYS 75 40.598 6.412 0.999 574 HZ3 LYS 75 2HZ LYS 75 40.851 4.911 0.261 575 H LEU 76 H LEU 76 33.266 4.979 -0.682 576 HA LEU 76 HA LEU 76 32.089 5.852 1.847 577 HB2 LEU 76 2HB LEU 76 31.198 7.876 0.457 578 HB3 LEU 76 3HB LEU 76 32.783 7.939 1.225 579 HG LEU 76 HG LEU 76 33.836 7.418 -0.931 580 HD11 LEU 76 1HD1 LEU 76 32.349 7.652 -2.973 581 HD12 LEU 76 2HD1 LEU 76 30.988 7.385 -1.885 582 HD13 LEU 76 3HD1 LEU 76 32.224 6.142 -2.072 583 HD21 LEU 76 3HD2 LEU 76 32.169 9.808 -0.461 584 HD22 LEU 76 1HD2 LEU 76 32.777 9.589 -2.102 585 HD23 LEU 76 2HD2 LEU 76 33.904 9.668 -0.748 586 H MET 77 H MET 77 29.789 5.996 1.812 587 HA MET 77 HA MET 77 28.434 4.992 -0.571 588 HB2 MET 77 2HB MET 77 28.326 3.659 2.136 589 HB3 MET 77 3HB MET 77 27.161 3.350 0.856 590 HG2 MET 77 2HG MET 77 28.563 1.651 0.406 591 HG3 MET 77 3HG MET 77 29.409 2.899 -0.506 592 HE1 MET 77 3HE MET 77 29.983 0.077 0.931 593 HE2 MET 77 1HE MET 77 31.566 0.511 0.285 594 HE3 MET 77 2HE MET 77 31.385 0.136 1.999 595 H SER 78 H SER 78 26.606 6.071 -0.926 596 HA SER 78 HA SER 78 25.367 7.492 1.340 597 HB2 SER 78 2HB SER 78 25.453 8.397 -1.549 598 HB3 SER 78 3HB SER 78 24.738 9.278 -0.199 599 HG SER 78 HG SER 78 27.478 8.644 -0.577 600 H VAL 79 H VAL 79 23.225 7.248 1.646 601 HA VAL 79 HA VAL 79 21.738 5.683 -0.364 602 HB VAL 79 HB VAL 79 21.218 5.667 2.609 603 HG11 VAL 79 1HG1 VAL 79 20.241 3.347 1.454 604 HG12 VAL 79 2HG1 VAL 79 19.294 4.750 1.954 605 HG13 VAL 79 3HG1 VAL 79 19.847 4.606 0.285 606 HG21 VAL 79 3HG2 VAL 79 23.274 4.333 1.107 607 HG22 VAL 79 1HG2 VAL 79 22.969 4.319 2.844 608 HG23 VAL 79 2HG2 VAL 79 22.157 3.155 1.796 609 H SER 80 H SER 80 20.141 6.765 -1.289 610 HA SER 80 HA SER 80 18.876 8.966 0.209 611 HB2 SER 80 2HB SER 80 19.095 8.703 -2.798 612 HB3 SER 80 3HB SER 80 18.470 10.086 -1.901 613 HG SER 80 HG SER 80 20.984 9.572 -2.599 614 H PHE 81 H PHE 81 16.858 8.582 0.800 615 HA PHE 81 HA PHE 81 15.125 7.013 -0.975 616 HB2 PHE 81 2HB PHE 81 14.120 6.108 1.268 617 HB3 PHE 81 3HB PHE 81 15.556 5.354 0.585 618 HD1 PHE 81 HD2 PHE 81 14.629 8.107 2.925 619 HD2 PHE 81 HD1 PHE 81 17.336 4.962 1.979 620 HE1 PHE 81 HE2 PHE 81 15.837 8.520 5.028 621 HE2 PHE 81 HE1 PHE 81 18.548 5.369 4.081 622 HZ PHE 81 HZ PHE 81 17.799 7.149 5.609 623 H SER 82 H SER 82 12.937 7.551 -0.920 624 HA SER 82 HA SER 82 12.319 10.049 0.517 625 HB2 SER 82 2HB SER 82 10.893 9.195 -1.987 626 HB3 SER 82 3HB SER 82 11.059 10.812 -1.304 627 HG SER 82 HG SER 82 12.993 11.006 -2.182 628 H ASP 83 H ASP 83 10.197 10.317 1.334 629 HA ASP 83 HA ASP 83 8.671 9.389 2.843 630 HB2 ASP 83 2HB ASP 83 7.718 8.584 0.088 631 HB3 ASP 83 3HB ASP 83 6.706 8.581 1.530 632 H ILE 84 H ILE 84 10.074 7.811 3.848 633 HA ILE 84 HA ILE 84 9.297 5.059 3.147 634 HB ILE 84 HB ILE 84 11.497 4.248 3.776 635 HG12 ILE 84 2HG1 ILE 84 12.918 6.773 3.774 636 HG13 ILE 84 3HG1 ILE 84 11.729 6.720 5.072 637 HG21 ILE 84 1HG2 ILE 84 12.094 6.461 1.866 638 HG22 ILE 84 2HG2 ILE 84 12.566 4.764 1.803 639 HG23 ILE 84 3HG2 ILE 84 10.907 5.232 1.432 640 HD11 ILE 84 3HD1 ILE 84 12.906 4.273 5.287 641 HD12 ILE 84 1HD1 ILE 84 14.252 5.290 4.773 642 HD13 ILE 84 2HD1 ILE 84 13.339 5.701 6.225 643 H ASP 85 H ASP 85 9.122 3.592 4.883 644 HA ASP 85 HA ASP 85 8.327 4.838 7.366 645 HB2 ASP 85 2HB ASP 85 7.223 2.817 6.106 646 HB3 ASP 85 3HB ASP 85 8.427 1.870 6.975 647 H GLU 86 H GLU 86 9.065 4.037 9.465 648 HA GLU 86 HA GLU 86 11.893 4.078 9.650 649 HB2 GLU 86 2HB GLU 86 11.544 3.759 12.056 650 HB3 GLU 86 3HB GLU 86 10.474 4.997 11.413 651 HG2 GLU 86 2HG GLU 86 8.924 3.899 12.600 652 HG3 GLU 86 3HG GLU 86 8.879 2.849 11.185 653 H ASN 87 H ASN 87 9.555 1.537 9.422 654 HA ASN 87 HA ASN 87 10.965 -0.583 10.574 655 HB2 ASN 87 2HB ASN 87 8.899 -0.449 8.389 656 HB3 ASN 87 3HB ASN 87 9.608 -1.984 8.882 657 HD21 ASN 87 1HD2 ASN 87 7.010 -0.116 9.278 658 HD22 ASN 87 2HD2 ASN 87 6.535 -0.568 10.876 659 H MET 88 H MET 88 10.909 0.533 7.196 660 HA MET 88 HA MET 88 12.913 -1.353 6.380 661 HB2 MET 88 2HB MET 88 12.849 -0.128 4.230 662 HB3 MET 88 3HB MET 88 11.252 -0.622 4.776 663 HG2 MET 88 2HG MET 88 11.121 1.753 5.782 664 HG3 MET 88 3HG MET 88 12.453 2.111 4.684 665 HE1 MET 88 3HE MET 88 10.715 -0.337 2.305 666 HE2 MET 88 1HE MET 88 10.959 1.072 1.273 667 HE3 MET 88 2HE MET 88 12.218 0.582 2.407 668 H LYS 89 H LYS 89 12.842 2.019 7.348 669 HA LYS 89 HA LYS 89 15.335 2.868 6.492 670 HB2 LYS 89 2HB LYS 89 13.527 4.243 7.615 671 HB3 LYS 89 3HB LYS 89 14.111 3.611 9.149 672 HG2 LYS 89 2HG LYS 89 16.241 4.654 8.843 673 HG3 LYS 89 3HG LYS 89 15.822 5.135 7.197 674 HD2 LYS 89 2HD LYS 89 15.295 7.092 8.194 675 HD3 LYS 89 3HD LYS 89 13.782 6.259 8.557 676 HE2 LYS 89 2HE LYS 89 16.051 5.942 10.452 677 HE3 LYS 89 3HE LYS 89 15.194 7.482 10.434 678 HZ1 LYS 89 3HZ LYS 89 14.314 4.889 11.372 679 HZ2 LYS 89 1HZ LYS 89 13.162 5.748 10.480 680 HZ3 LYS 89 2HZ LYS 89 13.844 6.436 11.866 681 H LYS 90 H LYS 90 14.469 1.006 9.359 682 HA LYS 90 HA LYS 90 16.922 1.073 10.687 683 HB2 LYS 90 2HB LYS 90 16.122 -0.687 12.000 684 HB3 LYS 90 3HB LYS 90 14.655 0.119 11.461 685 HG2 LYS 90 2HG LYS 90 14.057 -2.027 11.050 686 HG3 LYS 90 3HG LYS 90 14.839 -1.663 9.509 687 HD2 LYS 90 2HD LYS 90 15.948 -3.586 9.965 688 HD3 LYS 90 3HD LYS 90 16.974 -2.497 10.902 689 HE2 LYS 90 2HE LYS 90 16.517 -4.244 12.378 690 HE3 LYS 90 3HE LYS 90 15.374 -2.987 12.848 691 HZ1 LYS 90 3HZ LYS 90 13.624 -4.205 12.176 692 HZ2 LYS 90 1HZ LYS 90 14.678 -5.510 12.397 693 HZ3 LYS 90 2HZ LYS 90 14.435 -4.872 10.849 694 H VAL 91 H VAL 91 15.788 -0.979 8.059 695 HA VAL 91 HA VAL 91 18.035 -2.737 8.090 696 HB VAL 91 HB VAL 91 17.024 -3.856 6.402 697 HG11 VAL 91 1HG1 VAL 91 14.690 -3.817 6.603 698 HG12 VAL 91 2HG1 VAL 91 15.277 -3.198 8.148 699 HG13 VAL 91 3HG1 VAL 91 14.659 -2.084 6.928 700 HG21 VAL 91 3HG2 VAL 91 15.796 -2.712 4.528 701 HG22 VAL 91 1HG2 VAL 91 16.316 -1.177 5.224 702 HG23 VAL 91 2HG2 VAL 91 17.515 -2.333 4.642 703 H ILE 92 H ILE 92 17.229 0.229 6.377 704 HA ILE 92 HA ILE 92 19.387 0.149 4.541 705 HB ILE 92 HB ILE 92 18.138 2.697 5.527 706 HG12 ILE 92 2HG1 ILE 92 16.937 0.563 3.781 707 HG13 ILE 92 3HG1 ILE 92 16.209 1.411 5.141 708 HG21 ILE 92 1HG2 ILE 92 19.002 1.897 2.756 709 HG22 ILE 92 2HG2 ILE 92 18.605 3.512 3.342 710 HG23 ILE 92 3HG2 ILE 92 20.063 2.701 3.914 711 HD11 ILE 92 3HD1 ILE 92 16.278 3.491 3.733 712 HD12 ILE 92 1HD1 ILE 92 16.726 2.458 2.376 713 HD13 ILE 92 2HD1 ILE 92 15.176 2.228 3.185 714 H LYS 93 H LYS 93 18.952 1.778 7.667 715 HA LYS 93 HA LYS 93 21.484 3.026 7.712 716 HB2 LYS 93 2HB LYS 93 19.647 3.764 9.144 717 HB3 LYS 93 3HB LYS 93 19.673 2.227 9.998 718 HG2 LYS 93 2HG LYS 93 20.764 3.919 11.318 719 HG3 LYS 93 3HG LYS 93 21.948 2.723 10.785 720 HD2 LYS 93 2HD LYS 93 22.890 4.926 10.535 721 HD3 LYS 93 3HD LYS 93 22.583 4.249 8.934 722 HE2 LYS 93 2HE LYS 93 21.910 6.607 9.090 723 HE3 LYS 93 3HE LYS 93 20.544 5.547 8.745 724 HZ1 LYS 93 3HZ LYS 93 21.220 6.495 11.473 725 HZ2 LYS 93 1HZ LYS 93 19.806 5.709 10.975 726 HZ3 LYS 93 2HZ LYS 93 20.123 7.288 10.459 727 H ALA 94 H ALA 94 20.320 -0.051 9.026 728 HA ALA 94 HA ALA 94 22.686 -0.789 10.354 729 HB1 ALA 94 1HB ALA 94 21.761 -3.130 10.125 730 HB2 ALA 94 2HB ALA 94 20.708 -1.954 10.911 731 HB3 ALA 94 3HB ALA 94 20.418 -2.415 9.233 732 H THR 95 H THR 95 21.596 -1.278 7.034 733 HA THR 95 HA THR 95 23.698 -3.014 6.259 734 HB THR 95 HB THR 95 21.979 -1.197 4.558 735 HG1 THR 95 HG1 THR 95 21.113 -3.097 5.903 736 HG21 THR 95 3HG2 THR 95 23.155 -1.844 2.781 737 HG22 THR 95 1HG2 THR 95 22.924 -3.539 3.208 738 HG23 THR 95 2HG2 THR 95 24.298 -2.645 3.858 739 H ALA 96 H ALA 96 23.238 0.493 5.959 740 HA ALA 96 HA ALA 96 25.645 1.002 4.570 741 HB1 ALA 96 1HB ALA 96 25.208 3.280 4.906 742 HB2 ALA 96 2HB ALA 96 23.616 2.525 4.824 743 HB3 ALA 96 3HB ALA 96 24.298 2.977 6.386 744 H GLU 97 H GLU 97 24.816 1.266 8.023 745 HA GLU 97 HA GLU 97 27.342 2.117 8.901 746 HB2 GLU 97 2HB GLU 97 26.554 1.802 11.063 747 HB3 GLU 97 3HB GLU 97 25.068 2.031 10.152 748 HG2 GLU 97 2HG GLU 97 24.501 0.222 11.412 749 HG3 GLU 97 3HG GLU 97 25.141 -0.583 9.980 750 H LYS 98 H LYS 98 26.064 -1.058 8.197 751 HA LYS 98 HA LYS 98 27.943 -2.651 9.506 752 HB2 LYS 98 2HB LYS 98 25.941 -2.993 7.433 753 HB3 LYS 98 3HB LYS 98 27.358 -3.986 7.124 754 HG2 LYS 98 2HG LYS 98 26.044 -3.967 9.814 755 HG3 LYS 98 3HG LYS 98 25.438 -4.981 8.502 756 HD2 LYS 98 2HD LYS 98 27.497 -6.165 8.357 757 HD3 LYS 98 3HD LYS 98 28.308 -5.011 9.418 758 HE2 LYS 98 2HE LYS 98 26.054 -6.851 10.217 759 HE3 LYS 98 3HE LYS 98 27.761 -7.109 10.573 760 HZ1 LYS 98 3HZ LYS 98 25.872 -5.252 11.784 761 HZ2 LYS 98 1HZ LYS 98 27.455 -4.690 11.580 762 HZ3 LYS 98 2HZ LYS 98 27.164 -6.091 12.482 763 H PHE 99 H PHE 99 28.085 -1.032 6.381 764 HA PHE 99 HA PHE 99 30.411 -2.246 5.395 765 HB2 PHE 99 2HB PHE 99 28.948 0.289 4.842 766 HB3 PHE 99 3HB PHE 99 30.594 0.147 4.233 767 HD1 PHE 99 HD1 PHE 99 30.925 -2.463 3.273 768 HD2 PHE 99 HD2 PHE 99 27.396 -0.085 3.209 769 HE1 PHE 99 HE1 PHE 99 30.100 -3.746 1.343 770 HE2 PHE 99 HE2 PHE 99 26.564 -1.365 1.279 771 HZ PHE 99 HZ PHE 99 27.917 -3.198 0.343 772 H LYS 100 H LYS 100 29.934 0.337 7.692 773 HA LYS 100 HA LYS 100 32.501 1.458 7.681 774 HB2 LYS 100 2HB LYS 100 30.589 1.180 10.008 775 HB3 LYS 100 3HB LYS 100 31.956 2.285 9.929 776 HG2 LYS 100 2HG LYS 100 30.736 3.127 7.761 777 HG3 LYS 100 3HG LYS 100 29.326 2.416 8.549 778 HD2 LYS 100 2HD LYS 100 29.217 4.521 9.424 779 HD3 LYS 100 3HD LYS 100 30.267 3.767 10.626 780 HE2 LYS 100 2HE LYS 100 32.210 4.713 9.645 781 HE3 LYS 100 3HE LYS 100 31.320 5.221 8.211 782 HZ1 LYS 100 3HZ LYS 100 30.431 6.268 10.789 783 HZ2 LYS 100 1HZ LYS 100 30.450 7.010 9.268 784 HZ3 LYS 100 2HZ LYS 100 31.879 6.879 10.163 785 H ASN 101 H ASN 101 31.284 -1.492 9.059 786 HA ASN 101 HA ASN 101 33.280 -1.980 10.970 787 HB2 ASN 101 2HB ASN 101 31.578 -3.879 9.348 788 HB3 ASN 101 3HB ASN 101 32.636 -4.399 10.656 789 HD21 ASN 101 1HD2 ASN 101 29.891 -4.837 10.639 790 HD22 ASN 101 2HD2 ASN 101 29.177 -3.922 11.919 791 H LYS 102 H LYS 102 33.411 -1.963 7.568 792 HA LYS 102 HA LYS 102 35.901 -3.528 7.562 793 HB2 LYS 102 2HB LYS 102 33.671 -3.446 5.789 794 HB3 LYS 102 3HB LYS 102 35.078 -2.848 4.919 795 HG2 LYS 102 2HG LYS 102 34.901 -5.205 4.569 796 HG3 LYS 102 3HG LYS 102 36.305 -4.893 5.592 797 HD2 LYS 102 2HD LYS 102 35.093 -5.560 7.556 798 HD3 LYS 102 3HD LYS 102 33.590 -5.690 6.639 799 HE2 LYS 102 2HE LYS 102 36.059 -7.383 6.259 800 HE3 LYS 102 3HE LYS 102 34.568 -7.888 7.053 801 HZ1 LYS 102 3HZ LYS 102 35.123 -7.506 4.209 802 HZ2 LYS 102 1HZ LYS 102 33.564 -7.139 4.755 803 HZ3 LYS 102 2HZ LYS 102 34.194 -8.692 4.979 804 H GLY 103 H GLY 103 34.881 -0.411 7.770 805 HA2 GLY 103 2HA GLY 103 36.358 1.432 7.846 806 HA3 GLY 103 3HA GLY 103 37.453 0.568 6.778 807 H PHE 104 H PHE 104 34.249 2.104 6.832 808 HA PHE 104 HA PHE 104 34.836 3.350 4.273 809 HB2 PHE 104 2HB PHE 104 32.555 1.424 4.699 810 HB3 PHE 104 3HB PHE 104 32.534 2.635 3.421 811 HD1 PHE 104 HD2 PHE 104 34.231 -0.382 4.667 812 HD2 PHE 104 HD1 PHE 104 33.826 2.371 1.446 813 HE1 PHE 104 HE2 PHE 104 35.499 -1.905 3.210 814 HE2 PHE 104 HE1 PHE 104 35.092 0.851 -0.017 815 HZ PHE 104 HZ PHE 104 35.932 -1.290 0.865 816 H LYS 105 H LYS 105 32.986 4.859 3.642 817 HA LYS 105 HA LYS 105 32.095 6.240 6.074 818 HB2 LYS 105 2HB LYS 105 33.493 7.532 4.512 819 HB3 LYS 105 3HB LYS 105 32.315 7.259 3.234 820 HG2 LYS 105 2HG LYS 105 31.966 9.449 4.068 821 HG3 LYS 105 3HG LYS 105 30.631 8.451 4.648 822 HD2 LYS 105 2HD LYS 105 31.171 9.525 6.590 823 HD3 LYS 105 3HD LYS 105 32.251 8.134 6.719 824 HE2 LYS 105 2HE LYS 105 34.124 9.374 6.230 825 HE3 LYS 105 3HE LYS 105 33.216 10.589 5.331 826 HZ1 LYS 105 3HZ LYS 105 34.092 11.333 7.529 827 HZ2 LYS 105 1HZ LYS 105 33.018 10.257 8.271 828 HZ3 LYS 105 2HZ LYS 105 32.424 11.535 7.336 829 H VAL 106 H VAL 106 29.972 6.788 6.414 830 HA VAL 106 HA VAL 106 28.018 5.665 4.511 831 HB VAL 106 HB VAL 106 27.792 5.800 7.522 832 HG11 VAL 106 1HG1 VAL 106 25.608 6.077 6.837 833 HG12 VAL 106 2HG1 VAL 106 25.835 5.125 5.369 834 HG13 VAL 106 3HG1 VAL 106 25.728 4.320 6.935 835 HG21 VAL 106 3HG2 VAL 106 29.309 4.042 6.617 836 HG22 VAL 106 1HG2 VAL 106 27.914 3.405 7.488 837 HG23 VAL 106 2HG2 VAL 106 27.938 3.383 5.725 838 H GLU 107 H GLU 107 26.589 7.051 3.698 839 HA GLU 107 HA GLU 107 26.048 9.545 5.163 840 HB2 GLU 107 2HB GLU 107 27.542 10.157 3.394 841 HB3 GLU 107 3HB GLU 107 26.631 9.218 2.220 842 HG2 GLU 107 2HG GLU 107 26.192 11.564 1.918 843 HG3 GLU 107 3HG GLU 107 24.735 10.749 2.483 844 H THR 108 H THR 108 23.963 10.292 5.110 845 HA THR 108 HA THR 108 22.004 8.579 3.722 846 HB THR 108 HB THR 108 20.415 9.349 5.590 847 HG1 THR 108 HG1 THR 108 21.834 9.653 7.588 848 HG21 THR 108 3HG2 THR 108 22.577 7.623 6.708 849 HG22 THR 108 1HG2 THR 108 21.706 7.079 5.275 850 HG23 THR 108 2HG2 THR 108 20.827 7.413 6.767 851 H ASP 109 H ASP 109 20.426 9.546 2.547 852 HA ASP 109 HA ASP 109 20.332 12.490 2.572 853 HB2 ASP 109 2HB ASP 109 21.394 11.121 0.522 854 HB3 ASP 109 3HB ASP 109 19.700 11.070 0.040 855 H MET 110 H MET 110 18.472 12.829 3.667 856 HA MET 110 HA MET 110 16.048 11.502 2.640 857 HB2 MET 110 2HB MET 110 15.068 11.760 4.864 858 HB3 MET 110 3HB MET 110 16.561 10.835 4.943 859 HG2 MET 110 2HG MET 110 17.748 12.635 5.883 860 HG3 MET 110 3HG MET 110 16.470 13.782 5.489 861 HE1 MET 110 3HE MET 110 15.053 14.620 6.797 862 HE2 MET 110 1HE MET 110 13.780 13.467 7.200 863 HE3 MET 110 2HE MET 110 14.706 14.243 8.485 Start of MODEL 20 1 H1 MET 1 H MET 1 1.022 -0.038 -0.086 2 HA MET 1 HA MET 1 1.015 -0.136 -2.975 3 HB2 MET 1 2HB MET 1 2.825 1.835 -2.797 4 HB3 MET 1 3HB MET 1 1.121 2.130 -3.114 5 HG2 MET 1 2HG MET 1 1.991 3.646 -1.425 6 HG3 MET 1 3HG MET 1 0.739 2.596 -0.766 7 HE1 MET 1 3HE MET 1 4.319 2.518 -1.698 8 HE2 MET 1 1HE MET 1 5.215 2.413 -0.183 9 HE3 MET 1 2HE MET 1 4.635 0.944 -0.967 10 H THR 2 H THR 2 3.312 -0.280 -3.820 11 HA THR 2 HA THR 2 4.889 -1.899 -1.939 12 HB THR 2 HB THR 2 5.421 -1.892 -4.883 13 HG1 THR 2 HG1 THR 2 3.053 -2.240 -4.253 14 HG21 THR 2 3HG2 THR 2 6.909 -3.122 -3.374 15 HG22 THR 2 1HG2 THR 2 6.032 -4.221 -4.438 16 HG23 THR 2 2HG2 THR 2 5.533 -4.035 -2.757 17 H LEU 3 H LEU 3 6.885 -1.298 -1.351 18 HA LEU 3 HA LEU 3 8.029 1.083 -2.652 19 HB2 LEU 3 2HB LEU 3 7.486 0.534 0.049 20 HB3 LEU 3 3HB LEU 3 9.239 0.465 -0.121 21 HG LEU 3 HG LEU 3 9.387 2.714 -0.734 22 HD11 LEU 3 1HD1 LEU 3 7.937 3.423 -2.270 23 HD12 LEU 3 2HD1 LEU 3 6.873 3.817 -0.921 24 HD13 LEU 3 3HD1 LEU 3 6.701 2.274 -1.758 25 HD21 LEU 3 3HD2 LEU 3 7.083 3.111 1.071 26 HD22 LEU 3 1HD2 LEU 3 8.735 3.718 1.184 27 HD23 LEU 3 2HD2 LEU 3 8.371 2.059 1.658 28 H CYS 4 H CYS 4 9.870 0.852 -3.732 29 HA CYS 4 HA CYS 4 11.548 -1.500 -3.153 30 HB2 CYS 4 2HB CYS 4 11.253 -0.198 -5.862 31 HB3 CYS 4 3HB CYS 4 12.061 -1.715 -5.484 32 HG CYS 4 HG CYS 4 9.340 -2.599 -4.466 33 H ALA 5 H ALA 5 13.839 -1.240 -3.702 34 HA ALA 5 HA ALA 5 14.747 1.556 -3.659 35 HB1 ALA 5 1HB ALA 5 16.618 0.611 -2.098 36 HB2 ALA 5 2HB ALA 5 15.056 1.086 -1.429 37 HB3 ALA 5 3HB ALA 5 15.408 -0.617 -1.725 38 H MET 6 H MET 6 16.644 1.979 -4.745 39 HA MET 6 HA MET 6 17.823 -0.291 -6.209 40 HB2 MET 6 2HB MET 6 16.876 2.350 -7.128 41 HB3 MET 6 3HB MET 6 18.425 1.837 -7.784 42 HG2 MET 6 2HG MET 6 17.514 0.029 -8.885 43 HG3 MET 6 3HG MET 6 16.102 -0.031 -7.834 44 HE1 MET 6 3HE MET 6 17.976 1.437 -10.616 45 HE2 MET 6 1HE MET 6 16.787 2.227 -11.653 46 HE3 MET 6 2HE MET 6 17.513 3.111 -10.310 47 H TYR 7 H TYR 7 19.901 -0.650 -5.814 48 HA TYR 7 HA TYR 7 21.542 1.578 -4.800 49 HB2 TYR 7 2HB TYR 7 22.713 0.057 -3.355 50 HB3 TYR 7 3HB TYR 7 20.988 -0.147 -3.069 51 HD1 TYR 7 HD2 TYR 7 23.981 -1.670 -4.582 52 HD2 TYR 7 HD1 TYR 7 19.886 -2.216 -3.565 53 HE1 TYR 7 HE2 TYR 7 24.204 -4.083 -5.005 54 HE2 TYR 7 HE1 TYR 7 20.098 -4.630 -3.984 55 HH TYR 7 HH TYR 7 22.932 -6.226 -4.152 56 H ASN 8 H ASN 8 23.463 1.927 -5.762 57 HA ASN 8 HA ASN 8 24.268 0.041 -7.877 58 HB2 ASN 8 2HB ASN 8 24.920 2.989 -7.765 59 HB3 ASN 8 3HB ASN 8 25.154 1.891 -9.123 60 HD21 ASN 8 1HD2 ASN 8 23.854 4.123 -9.659 61 HD22 ASN 8 2HD2 ASN 8 22.160 3.845 -9.858 62 H ILE 9 H ILE 9 26.300 -0.752 -7.885 63 HA ILE 9 HA ILE 9 28.121 0.204 -5.774 64 HB ILE 9 HB ILE 9 29.130 -2.204 -6.194 65 HG12 ILE 9 2HG1 ILE 9 26.226 -2.478 -6.991 66 HG13 ILE 9 3HG1 ILE 9 27.635 -2.866 -7.972 67 HG21 ILE 9 1HG2 ILE 9 27.954 -1.087 -4.142 68 HG22 ILE 9 2HG2 ILE 9 26.625 -2.160 -4.578 69 HG23 ILE 9 3HG2 ILE 9 28.207 -2.832 -4.184 70 HD11 ILE 9 3HD1 ILE 9 26.670 -4.893 -7.158 71 HD12 ILE 9 1HD1 ILE 9 28.211 -4.638 -6.340 72 HD13 ILE 9 2HD1 ILE 9 26.698 -4.295 -5.499 73 H SER 10 H SER 10 30.095 0.882 -6.344 74 HA SER 10 HA SER 10 30.849 0.641 -9.175 75 HB2 SER 10 2HB SER 10 32.308 2.509 -7.381 76 HB3 SER 10 3HB SER 10 31.803 2.718 -9.058 77 HG SER 10 HG SER 10 30.458 4.016 -7.963 78 H MET 11 H MET 11 32.349 -0.807 -9.653 79 HA MET 11 HA MET 11 34.083 -1.856 -7.569 80 HB2 MET 11 2HB MET 11 33.101 -3.529 -8.940 81 HB3 MET 11 3HB MET 11 33.537 -2.677 -10.416 82 HG2 MET 11 2HG MET 11 35.980 -3.060 -9.395 83 HG3 MET 11 3HG MET 11 35.149 -4.449 -8.698 84 HE1 MET 11 3HE MET 11 34.156 -2.880 -12.245 85 HE2 MET 11 1HE MET 11 35.840 -2.457 -11.934 86 HE3 MET 11 2HE MET 11 35.441 -3.597 -13.219 87 H ALA 12 H ALA 12 35.475 -0.091 -7.230 88 HA ALA 12 HA ALA 12 37.466 0.995 -7.478 89 HB1 ALA 12 1HB ALA 12 37.867 -1.346 -8.817 90 HB2 ALA 12 2HB ALA 12 38.215 -0.150 -10.066 91 HB3 ALA 12 3HB ALA 12 39.098 -0.113 -8.540 92 H GLY 13 H GLY 13 34.971 1.991 -8.599 93 HA2 GLY 13 2HA GLY 13 34.245 3.769 -9.855 94 HA3 GLY 13 3HA GLY 13 35.929 4.263 -9.935 95 H SER 14 H SER 14 35.265 1.137 -11.143 96 HA SER 14 HA SER 14 35.237 2.174 -13.901 97 HB2 SER 14 2HB SER 14 37.460 1.181 -13.087 98 HB3 SER 14 3HB SER 14 36.635 -0.378 -13.107 99 HG SER 14 HG SER 14 36.458 -0.278 -15.266 100 H HIS 15 H HIS 15 33.754 1.325 -15.236 101 HA HIS 15 HA HIS 15 31.792 0.276 -15.789 102 HB2 HIS 15 2HB HIS 15 33.250 -2.193 -14.841 103 HB3 HIS 15 3HB HIS 15 32.026 -2.085 -16.102 104 HD1 HIS 15 HD1 HIS 15 33.341 0.413 -17.555 105 HD2 HIS 15 HD2 HIS 15 35.276 -3.104 -16.482 106 HE1 HIS 15 HE1 HIS 15 35.330 0.247 -19.084 107 HA PRO 16 HA PRO 16 30.262 0.027 -11.415 108 HB2 PRO 16 2HB PRO 16 28.255 1.819 -11.772 109 HB3 PRO 16 3HB PRO 16 29.901 2.295 -11.341 110 HG2 PRO 16 2HG PRO 16 28.568 2.303 -14.021 111 HG3 PRO 16 3HG PRO 16 29.620 3.530 -13.291 112 HD2 PRO 16 2HD PRO 16 30.512 1.749 -15.126 113 HD3 PRO 16 3HD PRO 16 31.544 2.377 -13.825 114 H THR 17 H THR 17 28.171 -0.706 -10.656 115 HA THR 17 HA THR 17 26.430 -1.822 -12.744 116 HB THR 17 HB THR 17 27.163 -3.386 -10.271 117 HG1 THR 17 HG1 THR 17 28.568 -4.565 -11.668 118 HG21 THR 17 3HG2 THR 17 25.056 -3.988 -11.366 119 HG22 THR 17 1HG2 THR 17 26.254 -5.269 -11.545 120 HG23 THR 17 2HG2 THR 17 25.906 -4.192 -12.897 121 H THR 18 H THR 18 24.286 -1.704 -12.333 122 HA THR 18 HA THR 18 23.491 -0.586 -9.725 123 HB THR 18 HB THR 18 22.280 -0.196 -12.462 124 HG1 THR 18 HG1 THR 18 22.709 2.013 -11.917 125 HG21 THR 18 3HG2 THR 18 20.776 1.400 -10.950 126 HG22 THR 18 1HG2 THR 18 21.093 0.139 -9.760 127 HG23 THR 18 2HG2 THR 18 20.321 -0.268 -11.293 128 H ILE 19 H ILE 19 21.783 -1.467 -8.622 129 HA ILE 19 HA ILE 19 20.456 -3.801 -9.821 130 HB ILE 19 HB ILE 19 21.980 -3.675 -7.266 131 HG12 ILE 19 2HG1 ILE 19 21.539 -5.662 -9.483 132 HG13 ILE 19 3HG1 ILE 19 23.042 -4.896 -8.980 133 HG21 ILE 19 1HG2 ILE 19 20.678 -5.579 -6.370 134 HG22 ILE 19 2HG2 ILE 19 19.749 -4.083 -6.454 135 HG23 ILE 19 3HG2 ILE 19 19.501 -5.343 -7.662 136 HD11 ILE 19 3HD1 ILE 19 21.509 -7.008 -7.484 137 HD12 ILE 19 1HD1 ILE 19 23.046 -7.205 -8.325 138 HD13 ILE 19 2HD1 ILE 19 22.953 -6.192 -6.885 139 H CYS 20 H CYS 20 18.317 -4.015 -9.376 140 HA CYS 20 HA CYS 20 17.130 -2.030 -7.549 141 HB2 CYS 20 2HB CYS 20 16.584 -1.418 -9.818 142 HB3 CYS 20 3HB CYS 20 16.075 -3.061 -10.187 143 HG CYS 20 HG CYS 20 13.706 -1.810 -10.069 144 H VAL 21 H VAL 21 16.225 -2.935 -5.835 145 HA VAL 21 HA VAL 21 14.723 -5.428 -6.151 146 HB VAL 21 HB VAL 21 15.712 -6.129 -3.867 147 HG11 VAL 21 1HG1 VAL 21 16.059 -7.289 -6.029 148 HG12 VAL 21 2HG1 VAL 21 17.478 -6.277 -6.307 149 HG13 VAL 21 3HG1 VAL 21 17.447 -7.402 -4.948 150 HG21 VAL 21 3HG2 VAL 21 17.012 -3.755 -4.026 151 HG22 VAL 21 1HG2 VAL 21 17.557 -5.125 -3.058 152 HG23 VAL 21 2HG2 VAL 21 18.238 -4.852 -4.662 153 H VAL 22 H VAL 22 13.033 -5.700 -4.695 154 HA VAL 22 HA VAL 22 11.885 -3.322 -3.662 155 HB VAL 22 HB VAL 22 10.104 -4.725 -2.804 156 HG11 VAL 22 1HG1 VAL 22 10.929 -4.606 -5.483 157 HG12 VAL 22 2HG1 VAL 22 10.377 -6.260 -5.212 158 HG13 VAL 22 3HG1 VAL 22 9.304 -4.903 -4.868 159 HG21 VAL 22 3HG2 VAL 22 12.181 -6.806 -2.975 160 HG22 VAL 22 1HG2 VAL 22 10.828 -6.638 -1.856 161 HG23 VAL 22 2HG2 VAL 22 10.562 -7.305 -3.466 162 H MET 23 H MET 23 11.273 -2.914 -1.440 163 HA MET 23 HA MET 23 13.381 -2.907 0.343 164 HB2 MET 23 2HB MET 23 11.844 -2.156 2.001 165 HB3 MET 23 3HB MET 23 11.285 -1.515 0.462 166 HG2 MET 23 2HG MET 23 9.806 -3.664 0.436 167 HG3 MET 23 3HG MET 23 10.098 -3.642 2.173 168 HE1 MET 23 3HE MET 23 7.559 -3.657 0.586 169 HE2 MET 23 1HE MET 23 6.887 -3.129 2.129 170 HE3 MET 23 2HE MET 23 6.556 -2.207 0.663 171 H ASP 24 H ASP 24 10.789 -5.273 -0.016 172 HA ASP 24 HA ASP 24 11.263 -6.788 2.281 173 HB2 ASP 24 2HB ASP 24 9.360 -6.942 0.507 174 HB3 ASP 24 3HB ASP 24 10.439 -8.075 -0.302 175 H ARG 25 H ARG 25 12.763 -6.916 -0.910 176 HA ARG 25 HA ARG 25 14.563 -9.036 0.026 177 HB2 ARG 25 2HB ARG 25 14.178 -7.950 -2.770 178 HB3 ARG 25 3HB ARG 25 15.165 -9.334 -2.321 179 HG2 ARG 25 2HG ARG 25 13.108 -10.463 -1.506 180 HG3 ARG 25 3HG ARG 25 12.171 -9.108 -2.138 181 HD2 ARG 25 2HD ARG 25 13.284 -9.583 -4.373 182 HD3 ARG 25 3HD ARG 25 13.833 -11.099 -3.659 183 HE ARG 25 HE ARG 25 11.090 -10.938 -3.245 184 HH11 ARG 25 1HH1 ARG 25 13.308 -11.142 -5.921 185 HH12 ARG 25 2HH1 ARG 25 12.190 -11.970 -6.954 186 HH21 ARG 25 1HH2 ARG 25 9.610 -12.028 -4.595 187 HH22 ARG 25 2HH2 ARG 25 10.086 -12.473 -6.198 188 H PHE 26 H PHE 26 14.431 -5.721 -0.226 189 HA PHE 26 HA PHE 26 17.023 -5.082 -1.146 190 HB2 PHE 26 2HB PHE 26 15.132 -3.462 -0.958 191 HB3 PHE 26 3HB PHE 26 15.319 -3.506 0.792 192 HD1 PHE 26 HD1 PHE 26 17.151 -2.721 -2.340 193 HD2 PHE 26 HD2 PHE 26 16.802 -2.069 1.852 194 HE1 PHE 26 HE1 PHE 26 18.838 -0.935 -2.481 195 HE2 PHE 26 HE2 PHE 26 18.487 -0.281 1.717 196 HZ PHE 26 HZ PHE 26 19.508 0.287 -0.450 197 H LEU 27 H LEU 27 15.716 -5.571 2.117 198 HA LEU 27 HA LEU 27 18.050 -4.979 3.544 199 HB2 LEU 27 2HB LEU 27 17.037 -6.372 5.345 200 HB3 LEU 27 3HB LEU 27 15.982 -5.115 4.703 201 HG LEU 27 HG LEU 27 15.245 -7.257 3.192 202 HD11 LEU 27 1HD1 LEU 27 15.160 -8.587 5.778 203 HD12 LEU 27 2HD1 LEU 27 16.796 -8.417 5.143 204 HD13 LEU 27 3HD1 LEU 27 15.558 -9.228 4.184 205 HD21 LEU 27 3HD2 LEU 27 13.984 -5.532 4.720 206 HD22 LEU 27 1HD2 LEU 27 13.956 -6.884 5.852 207 HD23 LEU 27 2HD2 LEU 27 13.225 -7.055 4.256 208 H GLU 28 H GLU 28 16.814 -8.100 2.367 209 HA GLU 28 HA GLU 28 19.016 -9.613 3.327 210 HB2 GLU 28 2HB GLU 28 16.801 -10.590 2.807 211 HB3 GLU 28 3HB GLU 28 17.084 -10.281 1.100 212 HG2 GLU 28 2HG GLU 28 19.222 -11.708 1.467 213 HG3 GLU 28 3HG GLU 28 18.368 -12.284 2.897 214 H SER 29 H SER 29 18.179 -8.352 0.110 215 HA SER 29 HA SER 29 20.327 -9.358 -1.322 216 HB2 SER 29 2HB SER 29 19.944 -7.506 -2.901 217 HB3 SER 29 3HB SER 29 18.421 -8.225 -2.379 218 HG SER 29 HG SER 29 19.505 -5.718 -1.802 219 H PHE 30 H PHE 30 20.095 -6.087 0.089 220 HA PHE 30 HA PHE 30 22.696 -5.278 -0.411 221 HB2 PHE 30 2HB PHE 30 20.533 -4.139 0.786 222 HB3 PHE 30 3HB PHE 30 21.587 -4.387 2.175 223 HD1 PHE 30 HD1 PHE 30 24.196 -4.048 0.563 224 HD2 PHE 30 HD2 PHE 30 20.620 -1.756 0.835 225 HE1 PHE 30 HE1 PHE 30 25.456 -2.019 -0.030 226 HE2 PHE 30 HE2 PHE 30 21.873 0.276 0.241 227 HZ PHE 30 HZ PHE 30 24.294 0.147 -0.193 228 H SER 31 H SER 31 21.407 -6.972 2.428 229 HA SER 31 HA SER 31 23.692 -7.007 3.998 230 HB2 SER 31 2HB SER 31 21.382 -7.798 4.653 231 HB3 SER 31 3HB SER 31 21.728 -9.296 3.789 232 HG SER 31 HG SER 31 22.200 -9.124 6.175 233 H GLU 32 H GLU 32 22.683 -9.287 1.474 234 HA GLU 32 HA GLU 32 24.952 -10.987 1.781 235 HB2 GLU 32 2HB GLU 32 22.690 -11.588 0.757 236 HB3 GLU 32 3HB GLU 32 23.244 -10.760 -0.691 237 HG2 GLU 32 2HG GLU 32 23.666 -13.050 -1.029 238 HG3 GLU 32 3HG GLU 32 25.226 -12.303 -0.688 239 H LEU 33 H LEU 33 24.126 -8.327 -0.393 240 HA LEU 33 HA LEU 33 26.252 -8.511 -2.172 241 HB2 LEU 33 2HB LEU 33 24.366 -7.018 -2.509 242 HB3 LEU 33 3HB LEU 33 24.865 -6.047 -1.125 243 HG LEU 33 HG LEU 33 25.362 -5.204 -3.521 244 HD11 LEU 33 1HD1 LEU 33 27.044 -3.880 -2.679 245 HD12 LEU 33 2HD1 LEU 33 27.771 -5.198 -1.761 246 HD13 LEU 33 3HD1 LEU 33 26.275 -4.452 -1.198 247 HD21 LEU 33 3HD2 LEU 33 27.056 -6.117 -4.721 248 HD22 LEU 33 1HD2 LEU 33 26.526 -7.576 -3.884 249 HD23 LEU 33 2HD2 LEU 33 27.920 -6.676 -3.288 250 H TYR 34 H TYR 34 26.099 -7.066 1.034 251 HA TYR 34 HA TYR 34 28.626 -5.791 0.947 252 HB2 TYR 34 2HB TYR 34 27.135 -5.025 2.609 253 HB3 TYR 34 3HB TYR 34 26.819 -6.654 3.197 254 HD1 TYR 34 HD2 TYR 34 29.780 -4.411 2.725 255 HD2 TYR 34 HD1 TYR 34 27.746 -7.180 5.234 256 HE1 TYR 34 HE2 TYR 34 31.516 -4.120 4.442 257 HE2 TYR 34 HE1 TYR 34 29.476 -6.896 6.960 258 HH TYR 34 HH TYR 34 31.155 -5.232 7.628 259 H ASP 35 H ASP 35 27.583 -9.029 1.771 260 HA ASP 35 HA ASP 35 30.046 -9.845 2.960 261 HB2 ASP 35 2HB ASP 35 27.460 -10.966 2.552 262 HB3 ASP 35 3HB ASP 35 28.645 -12.088 1.889 263 H ILE 36 H ILE 36 28.785 -9.751 -0.287 264 HA ILE 36 HA ILE 36 31.008 -11.335 -1.318 265 HB ILE 36 HB ILE 36 28.884 -11.824 -2.319 266 HG12 ILE 36 2HG1 ILE 36 31.130 -11.293 -3.737 267 HG13 ILE 36 3HG1 ILE 36 29.659 -11.947 -4.449 268 HG21 ILE 36 1HG2 ILE 36 28.727 -8.866 -2.851 269 HG22 ILE 36 2HG2 ILE 36 27.677 -10.049 -3.627 270 HG23 ILE 36 3HG2 ILE 36 27.638 -9.851 -1.875 271 HD11 ILE 36 3HD1 ILE 36 29.024 -9.865 -5.310 272 HD12 ILE 36 1HD1 ILE 36 30.176 -8.999 -4.294 273 HD13 ILE 36 2HD1 ILE 36 30.753 -9.993 -5.631 274 H ILE 37 H ILE 37 30.060 -8.053 -0.910 275 HA ILE 37 HA ILE 37 31.449 -6.793 -2.975 276 HB ILE 37 HB ILE 37 29.856 -5.762 -1.242 277 HG12 ILE 37 2HG1 ILE 37 31.073 -3.532 -1.410 278 HG13 ILE 37 3HG1 ILE 37 32.388 -4.412 -2.181 279 HG21 ILE 37 1HG2 ILE 37 32.160 -4.822 0.304 280 HG22 ILE 37 2HG2 ILE 37 30.547 -5.288 0.839 281 HG23 ILE 37 3HG2 ILE 37 31.767 -6.525 0.538 282 HD11 ILE 37 3HD1 ILE 37 30.466 -5.248 -3.759 283 HD12 ILE 37 1HD1 ILE 37 29.676 -3.773 -3.202 284 HD13 ILE 37 2HD1 ILE 37 31.243 -3.684 -4.008 285 H ASP 38 H ASP 38 32.627 -8.468 -0.235 286 HA ASP 38 HA ASP 38 35.127 -7.135 0.040 287 HB2 ASP 38 2HB ASP 38 33.887 -8.752 1.681 288 HB3 ASP 38 3HB ASP 38 34.735 -10.012 0.788 289 H GLU 39 H GLU 39 33.912 -9.594 -2.075 290 HA GLU 39 HA GLU 39 36.286 -10.847 -2.845 291 HB2 GLU 39 2HB GLU 39 33.706 -10.337 -4.314 292 HB3 GLU 39 3HB GLU 39 35.031 -11.234 -5.043 293 HG2 GLU 39 2HG GLU 39 34.024 -12.061 -2.367 294 HG3 GLU 39 3HG GLU 39 33.091 -12.470 -3.806 295 H ASN 40 H ASN 40 36.822 -10.611 -5.422 296 HA ASN 40 HA ASN 40 37.147 -7.822 -6.159 297 HB2 ASN 40 2HB ASN 40 39.094 -8.481 -4.643 298 HB3 ASN 40 3HB ASN 40 39.608 -9.554 -5.942 299 HD21 ASN 40 1HD2 ASN 40 40.990 -8.743 -7.334 300 HD22 ASN 40 2HD2 ASN 40 41.239 -7.065 -7.663 301 H ASP 41 H ASP 41 35.952 -10.442 -7.125 302 HA ASP 41 HA ASP 41 37.298 -10.575 -9.740 303 HB2 ASP 41 2HB ASP 41 36.960 -12.672 -8.209 304 HB3 ASP 41 3HB ASP 41 35.308 -12.618 -8.817 305 H THR 42 H THR 42 36.214 -10.065 -11.559 306 HA THR 42 HA THR 42 33.784 -8.608 -11.361 307 HB THR 42 HB THR 42 33.860 -8.587 -13.865 308 HG1 THR 42 HG1 THR 42 36.349 -9.929 -13.570 309 HG21 THR 42 3HG2 THR 42 35.319 -6.873 -13.806 310 HG22 THR 42 1HG2 THR 42 36.619 -7.874 -13.160 311 HG23 THR 42 2HG2 THR 42 35.394 -7.213 -12.077 312 H ASP 43 H ASP 43 34.593 -11.884 -12.359 313 HA ASP 43 HA ASP 43 32.113 -12.573 -13.495 314 HB2 ASP 43 2HB ASP 43 34.417 -13.829 -13.484 315 HB3 ASP 43 3HB ASP 43 33.774 -14.594 -12.034 316 H VAL 44 H VAL 44 33.327 -12.770 -10.181 317 HA VAL 44 HA VAL 44 31.058 -14.117 -9.125 318 HB VAL 44 HB VAL 44 33.232 -12.494 -7.811 319 HG11 VAL 44 1HG1 VAL 44 32.334 -13.587 -5.683 320 HG12 VAL 44 2HG1 VAL 44 31.437 -12.212 -6.330 321 HG13 VAL 44 3HG1 VAL 44 30.848 -13.854 -6.594 322 HG21 VAL 44 3HG2 VAL 44 32.959 -15.299 -7.106 323 HG22 VAL 44 1HG2 VAL 44 33.213 -15.060 -8.835 324 HG23 VAL 44 2HG2 VAL 44 34.372 -14.409 -7.675 325 H MET 45 H MET 45 31.974 -10.718 -9.409 326 HA MET 45 HA MET 45 29.772 -9.717 -7.909 327 HB2 MET 45 2HB MET 45 32.039 -8.635 -9.349 328 HB3 MET 45 3HB MET 45 30.584 -7.701 -9.671 329 HG2 MET 45 2HG MET 45 30.314 -7.793 -7.072 330 HG3 MET 45 3HG MET 45 32.047 -8.114 -7.114 331 HE1 MET 45 3HE MET 45 29.165 -5.927 -7.687 332 HE2 MET 45 1HE MET 45 29.796 -4.284 -7.810 333 HE3 MET 45 2HE MET 45 29.715 -5.307 -9.244 334 H MET 46 H MET 46 30.412 -10.053 -11.386 335 HA MET 46 HA MET 46 27.952 -8.936 -12.231 336 HB2 MET 46 2HB MET 46 28.503 -9.782 -14.416 337 HB3 MET 46 3HB MET 46 29.971 -9.167 -13.670 338 HG2 MET 46 2HG MET 46 30.816 -11.106 -14.429 339 HG3 MET 46 3HG MET 46 30.149 -11.723 -12.919 340 HE1 MET 46 3HE MET 46 30.071 -11.227 -16.470 341 HE2 MET 46 1HE MET 46 29.789 -12.902 -16.946 342 HE3 MET 46 2HE MET 46 28.478 -11.727 -17.040 343 H ASP 47 H ASP 47 28.988 -12.220 -11.491 344 HA ASP 47 HA ASP 47 26.591 -13.468 -12.409 345 HB2 ASP 47 2HB ASP 47 28.726 -14.688 -12.231 346 HB3 ASP 47 3HB ASP 47 28.683 -14.497 -10.480 347 H PHE 48 H PHE 48 27.771 -12.361 -9.268 348 HA PHE 48 HA PHE 48 25.586 -13.381 -7.767 349 HB2 PHE 48 2HB PHE 48 27.584 -12.913 -6.571 350 HB3 PHE 48 3HB PHE 48 27.663 -11.271 -7.199 351 HD1 PHE 48 HD2 PHE 48 26.146 -9.541 -6.344 352 HD2 PHE 48 HD1 PHE 48 26.242 -13.457 -4.680 353 HE1 PHE 48 HE2 PHE 48 24.956 -8.720 -4.353 354 HE2 PHE 48 HE1 PHE 48 25.052 -12.643 -2.686 355 HZ PHE 48 HZ PHE 48 24.407 -10.272 -2.521 356 H ILE 49 H ILE 49 26.315 -10.191 -9.132 357 HA ILE 49 HA ILE 49 23.981 -8.922 -8.143 358 HB ILE 49 HB ILE 49 26.086 -8.241 -10.117 359 HG12 ILE 49 2HG1 ILE 49 25.606 -5.997 -8.738 360 HG13 ILE 49 3HG1 ILE 49 24.902 -7.153 -7.613 361 HG21 ILE 49 1HG2 ILE 49 24.679 -6.132 -10.646 362 HG22 ILE 49 2HG2 ILE 49 24.364 -7.621 -11.537 363 HG23 ILE 49 3HG2 ILE 49 23.304 -7.146 -10.210 364 HD11 ILE 49 3HD1 ILE 49 27.737 -7.011 -8.587 365 HD12 ILE 49 1HD1 ILE 49 27.135 -6.820 -6.940 366 HD13 ILE 49 2HD1 ILE 49 27.084 -8.402 -7.720 367 H SER 50 H SER 50 24.759 -10.528 -11.195 368 HA SER 50 HA SER 50 22.381 -9.862 -12.554 369 HB2 SER 50 2HB SER 50 24.309 -10.679 -13.776 370 HB3 SER 50 3HB SER 50 24.253 -12.214 -12.910 371 HG SER 50 HG SER 50 23.278 -12.385 -14.960 372 H ARG 51 H ARG 51 23.247 -12.570 -10.463 373 HA ARG 51 HA ARG 51 20.776 -13.963 -10.869 374 HB2 ARG 51 2HB ARG 51 21.555 -15.503 -9.219 375 HB3 ARG 51 3HB ARG 51 22.942 -15.047 -10.200 376 HG2 ARG 51 2HG ARG 51 23.798 -13.641 -8.495 377 HG3 ARG 51 3HG ARG 51 22.305 -13.758 -7.561 378 HD2 ARG 51 2HD ARG 51 24.235 -16.004 -8.134 379 HD3 ARG 51 3HD ARG 51 24.047 -15.160 -6.597 380 HE ARG 51 HE ARG 51 21.557 -16.179 -7.283 381 HH11 ARG 51 1HH1 ARG 51 24.728 -17.382 -6.499 382 HH12 ARG 51 2HH1 ARG 51 24.140 -18.864 -5.820 383 HH21 ARG 51 1HH2 ARG 51 20.771 -18.126 -6.393 384 HH22 ARG 51 2HH2 ARG 51 21.889 -19.287 -5.762 385 H PHE 52 H PHE 52 21.966 -11.565 -8.634 386 HA PHE 52 HA PHE 52 19.716 -11.866 -6.834 387 HB2 PHE 52 2HB PHE 52 22.275 -10.430 -6.828 388 HB3 PHE 52 3HB PHE 52 20.948 -9.516 -6.118 389 HD1 PHE 52 HD1 PHE 52 22.766 -12.736 -5.933 390 HD2 PHE 52 HD2 PHE 52 20.176 -9.992 -3.963 391 HE1 PHE 52 HE1 PHE 52 23.018 -14.006 -3.841 392 HE2 PHE 52 HE2 PHE 52 20.425 -11.257 -1.868 393 HZ PHE 52 HZ PHE 52 21.846 -13.267 -1.805 394 H ALA 53 H ALA 53 20.441 -10.156 -9.685 395 HA ALA 53 HA ALA 53 18.162 -8.343 -9.227 396 HB1 ALA 53 1HB ALA 53 20.151 -7.042 -9.460 397 HB2 ALA 53 2HB ALA 53 20.627 -7.930 -10.908 398 HB3 ALA 53 3HB ALA 53 19.217 -6.871 -10.947 399 H ARG 54 H ARG 54 17.168 -7.625 -11.400 400 HA ARG 54 HA ARG 54 17.245 -9.568 -13.524 401 HB2 ARG 54 2HB ARG 54 15.703 -10.470 -11.644 402 HB3 ARG 54 3HB ARG 54 14.582 -9.225 -12.179 403 HG2 ARG 54 2HG ARG 54 13.841 -10.957 -13.442 404 HG3 ARG 54 3HG ARG 54 15.065 -10.315 -14.540 405 HD2 ARG 54 2HD ARG 54 16.666 -11.958 -13.768 406 HD3 ARG 54 3HD ARG 54 15.515 -12.555 -12.572 407 HE ARG 54 HE ARG 54 14.202 -12.853 -14.926 408 HH11 ARG 54 1HH1 ARG 54 17.323 -13.857 -13.757 409 HH12 ARG 54 2HH1 ARG 54 17.376 -15.285 -14.736 410 HH21 ARG 54 1HH2 ARG 54 14.259 -14.730 -16.221 411 HH22 ARG 54 2HH2 ARG 54 15.633 -15.780 -16.138 412 H THR 55 H THR 55 17.507 -6.630 -12.974 413 HA THR 55 HA THR 55 16.879 -4.616 -13.856 414 HB THR 55 HB THR 55 16.088 -4.904 -16.360 415 HG1 THR 55 HG1 THR 55 15.775 -7.011 -16.648 416 HG21 THR 55 3HG2 THR 55 18.581 -5.467 -16.900 417 HG22 THR 55 1HG2 THR 55 18.790 -5.343 -15.154 418 HG23 THR 55 2HG2 THR 55 18.183 -3.964 -16.070 419 H ASP 56 H ASP 56 15.103 -4.190 -12.499 420 HA ASP 56 HA ASP 56 12.509 -4.403 -13.864 421 HB2 ASP 56 2HB ASP 56 13.222 -5.285 -11.104 422 HB3 ASP 56 3HB ASP 56 11.633 -4.572 -11.364 423 H GLU 57 H GLU 57 10.935 -2.799 -13.177 424 HA GLU 57 HA GLU 57 12.203 -0.383 -12.064 425 HB2 GLU 57 2HB GLU 57 10.944 0.982 -13.572 426 HB3 GLU 57 3HB GLU 57 11.736 -0.266 -14.523 427 HG2 GLU 57 2HG GLU 57 9.460 -1.524 -14.176 428 HG3 GLU 57 3HG GLU 57 8.853 0.109 -13.907 429 H ILE 58 H ILE 58 10.042 1.240 -11.810 430 HA ILE 58 HA ILE 58 8.412 -0.193 -9.822 431 HB ILE 58 HB ILE 58 7.945 2.245 -9.034 432 HG12 ILE 58 2HG1 ILE 58 9.311 3.020 -11.157 433 HG13 ILE 58 3HG1 ILE 58 9.410 3.918 -9.646 434 HG21 ILE 58 1HG2 ILE 58 9.073 0.674 -7.640 435 HG22 ILE 58 2HG2 ILE 58 10.548 0.796 -8.598 436 HG23 ILE 58 3HG2 ILE 58 10.013 2.166 -7.625 437 HD11 ILE 58 3HD1 ILE 58 11.370 1.741 -10.153 438 HD12 ILE 58 1HD1 ILE 58 11.562 3.284 -10.985 439 HD13 ILE 58 2HD1 ILE 58 11.546 3.228 -9.222 440 H MET 59 H MET 59 6.279 -0.348 -10.105 441 HA MET 59 HA MET 59 5.081 0.677 -12.501 442 HB2 MET 59 2HB MET 59 4.403 -1.255 -10.425 443 HB3 MET 59 3HB MET 59 3.017 -0.299 -10.932 444 HG2 MET 59 2HG MET 59 2.874 -1.338 -12.895 445 HG3 MET 59 3HG MET 59 4.614 -1.271 -13.161 446 HE1 MET 59 3HE MET 59 4.478 -4.936 -13.711 447 HE2 MET 59 1HE MET 59 4.418 -3.318 -14.410 448 HE3 MET 59 2HE MET 59 5.820 -3.818 -13.465 449 HA PRO 60 HA PRO 60 3.167 4.355 -11.070 450 HB2 PRO 60 2HB PRO 60 0.688 4.227 -12.167 451 HB3 PRO 60 3HB PRO 60 2.146 4.527 -13.120 452 HG2 PRO 60 2HG PRO 60 0.632 1.975 -12.727 453 HG3 PRO 60 3HG PRO 60 1.327 2.646 -14.214 454 HD2 PRO 60 2HD PRO 60 2.544 0.689 -12.792 455 HD3 PRO 60 3HD PRO 60 3.451 1.914 -13.702 456 H GLU 61 H GLU 61 1.772 1.317 -10.244 457 HA GLU 61 HA GLU 61 -0.201 2.444 -8.444 458 HB2 GLU 61 2HB GLU 61 -0.953 0.245 -8.091 459 HB3 GLU 61 3HB GLU 61 -0.482 0.286 -9.784 460 HG2 GLU 61 2HG GLU 61 1.798 -0.592 -8.877 461 HG3 GLU 61 3HG GLU 61 0.832 -1.078 -7.485 462 H ASP 62 H ASP 62 3.073 1.465 -8.341 463 HA ASP 62 HA ASP 62 3.026 1.549 -5.395 464 HB2 ASP 62 2HB ASP 62 5.336 0.289 -6.767 465 HB3 ASP 62 3HB ASP 62 4.542 -0.153 -5.258 466 H LYS 63 H LYS 63 5.753 1.756 -4.964 467 HA LYS 63 HA LYS 63 6.770 4.013 -6.464 468 HB2 LYS 63 2HB LYS 63 7.101 5.074 -3.989 469 HB3 LYS 63 3HB LYS 63 5.794 5.510 -5.082 470 HG2 LYS 63 2HG LYS 63 4.240 4.202 -3.940 471 HG3 LYS 63 3HG LYS 63 5.493 3.264 -3.123 472 HD2 LYS 63 2HD LYS 63 4.612 4.725 -1.490 473 HD3 LYS 63 3HD LYS 63 6.162 5.420 -1.971 474 HE2 LYS 63 2HE LYS 63 4.891 6.883 -3.571 475 HE3 LYS 63 3HE LYS 63 3.407 6.295 -2.822 476 HZ1 LYS 63 3HZ LYS 63 5.291 8.240 -1.866 477 HZ2 LYS 63 1HZ LYS 63 4.903 7.074 -0.704 478 HZ3 LYS 63 2HZ LYS 63 3.677 7.990 -1.423 479 H THR 64 H THR 64 8.859 4.832 -5.187 480 HA THR 64 HA THR 64 10.351 2.401 -4.442 481 HB THR 64 HB THR 64 10.973 4.566 -6.297 482 HG1 THR 64 HG1 THR 64 12.353 2.125 -5.817 483 HG21 THR 64 3HG2 THR 64 13.401 4.610 -5.723 484 HG22 THR 64 1HG2 THR 64 13.010 3.803 -4.205 485 HG23 THR 64 2HG2 THR 64 12.374 5.414 -4.536 486 H VAL 65 H VAL 65 11.272 2.326 -2.493 487 HA VAL 65 HA VAL 65 10.791 4.305 -0.547 488 HB VAL 65 HB VAL 65 13.049 2.611 0.120 489 HG11 VAL 65 1HG1 VAL 65 12.037 2.787 2.087 490 HG12 VAL 65 2HG1 VAL 65 10.731 3.686 1.311 491 HG13 VAL 65 3HG1 VAL 65 10.624 1.932 1.470 492 HG21 VAL 65 3HG2 VAL 65 12.367 0.991 -1.401 493 HG22 VAL 65 1HG2 VAL 65 11.546 0.509 0.084 494 HG23 VAL 65 2HG2 VAL 65 10.657 1.360 -1.178 495 H GLY 66 H GLY 66 13.657 3.523 -2.472 496 HA2 GLY 66 2HA GLY 66 14.674 6.053 -2.699 497 HA3 GLY 66 3HA GLY 66 15.316 5.471 -1.170 498 H PHE 67 H PHE 67 17.223 6.057 -2.796 499 HA PHE 67 HA PHE 67 18.095 3.487 -3.937 500 HB2 PHE 67 2HB PHE 67 19.384 4.847 -5.630 501 HB3 PHE 67 3HB PHE 67 17.634 4.882 -5.819 502 HD1 PHE 67 HD1 PHE 67 20.577 6.801 -4.742 503 HD2 PHE 67 HD2 PHE 67 16.400 6.901 -5.550 504 HE1 PHE 67 HE1 PHE 67 20.627 9.260 -4.676 505 HE2 PHE 67 HE2 PHE 67 16.443 9.360 -5.486 506 HZ PHE 67 HZ PHE 67 18.558 10.543 -5.049 507 H VAL 68 H VAL 68 20.272 2.961 -3.702 508 HA VAL 68 HA VAL 68 21.763 4.657 -1.805 509 HB VAL 68 HB VAL 68 21.636 1.655 -2.021 510 HG11 VAL 68 1HG1 VAL 68 23.337 2.110 0.047 511 HG12 VAL 68 2HG1 VAL 68 23.841 1.675 -1.588 512 HG13 VAL 68 3HG1 VAL 68 23.830 3.366 -1.088 513 HG21 VAL 68 3HG2 VAL 68 20.763 3.709 -0.070 514 HG22 VAL 68 1HG2 VAL 68 20.002 2.187 -0.533 515 HG23 VAL 68 2HG2 VAL 68 21.372 2.185 0.577 516 H VAL 69 H VAL 69 23.737 5.319 -2.385 517 HA VAL 69 HA VAL 69 24.893 4.188 -4.847 518 HB VAL 69 HB VAL 69 25.387 6.926 -3.671 519 HG11 VAL 69 1HG1 VAL 69 26.469 7.398 -5.810 520 HG12 VAL 69 2HG1 VAL 69 27.260 6.057 -4.979 521 HG13 VAL 69 3HG1 VAL 69 26.173 5.740 -6.332 522 HG21 VAL 69 3HG2 VAL 69 24.125 7.547 -5.877 523 HG22 VAL 69 1HG2 VAL 69 23.440 5.932 -5.701 524 HG23 VAL 69 2HG2 VAL 69 23.220 7.127 -4.423 525 H VAL 70 H VAL 70 26.623 2.960 -4.557 526 HA VAL 70 HA VAL 70 28.429 3.573 -2.309 527 HB VAL 70 HB VAL 70 27.837 0.825 -3.415 528 HG11 VAL 70 1HG1 VAL 70 29.569 1.782 -1.144 529 HG12 VAL 70 2HG1 VAL 70 29.086 0.099 -1.364 530 HG13 VAL 70 3HG1 VAL 70 30.069 0.903 -2.589 531 HG21 VAL 70 3HG2 VAL 70 27.059 0.833 -0.784 532 HG22 VAL 70 1HG2 VAL 70 26.537 2.422 -1.346 533 HG23 VAL 70 2HG2 VAL 70 25.979 0.967 -2.172 534 H ASN 71 H ASN 71 30.398 4.139 -2.933 535 HA ASN 71 HA ASN 71 31.386 3.162 -5.532 536 HB2 ASN 71 2HB ASN 71 32.109 5.773 -4.186 537 HB3 ASN 71 3HB ASN 71 32.615 5.238 -5.786 538 HD21 ASN 71 1HD2 ASN 71 30.148 6.700 -3.920 539 HD22 ASN 71 2HD2 ASN 71 29.052 7.029 -5.214 540 H ALA 72 H ALA 72 32.876 1.650 -5.213 541 HA ALA 72 HA ALA 72 34.334 1.342 -2.799 542 HB1 ALA 72 1HB ALA 72 33.709 -0.390 -4.660 543 HB2 ALA 72 2HB ALA 72 35.261 0.094 -5.344 544 HB3 ALA 72 3HB ALA 72 35.187 -0.583 -3.717 545 H ASP 73 H ASP 73 35.053 2.832 -5.900 546 HA ASP 73 HA ASP 73 37.820 3.144 -5.601 547 HB2 ASP 73 2HB ASP 73 37.426 5.169 -7.159 548 HB3 ASP 73 3HB ASP 73 37.001 3.566 -7.753 549 H LYS 74 H LYS 74 35.124 5.130 -4.500 550 HA LYS 74 HA LYS 74 36.960 7.062 -3.309 551 HB2 LYS 74 2HB LYS 74 33.959 7.001 -3.611 552 HB3 LYS 74 3HB LYS 74 34.797 8.233 -2.678 553 HG2 LYS 74 2HG LYS 74 35.727 7.790 -5.450 554 HG3 LYS 74 3HG LYS 74 34.147 8.549 -5.238 555 HD2 LYS 74 2HD LYS 74 35.479 10.023 -3.498 556 HD3 LYS 74 3HD LYS 74 36.855 9.541 -4.493 557 HE2 LYS 74 2HE LYS 74 34.353 10.671 -5.706 558 HE3 LYS 74 3HE LYS 74 35.631 11.717 -5.090 559 HZ1 LYS 74 3HZ LYS 74 35.519 10.275 -7.535 560 HZ2 LYS 74 1HZ LYS 74 36.902 9.850 -6.659 561 HZ3 LYS 74 2HZ LYS 74 36.613 11.470 -7.047 562 H LYS 75 H LYS 75 35.432 4.205 -2.467 563 HA LYS 75 HA LYS 75 35.122 3.091 -0.508 564 HB2 LYS 75 2HB LYS 75 37.205 5.114 0.248 565 HB3 LYS 75 3HB LYS 75 36.530 4.042 1.468 566 HG2 LYS 75 2HG LYS 75 37.389 2.129 0.424 567 HG3 LYS 75 3HG LYS 75 37.708 2.992 -1.082 568 HD2 LYS 75 2HD LYS 75 39.821 2.837 -0.154 569 HD3 LYS 75 3HD LYS 75 39.297 4.433 0.388 570 HE2 LYS 75 2HE LYS 75 38.867 1.978 2.061 571 HE3 LYS 75 3HE LYS 75 40.385 2.872 2.108 572 HZ1 LYS 75 3HZ LYS 75 38.559 4.826 2.399 573 HZ2 LYS 75 1HZ LYS 75 39.363 4.065 3.677 574 HZ3 LYS 75 2HZ LYS 75 37.816 3.551 3.226 575 H LEU 76 H LEU 76 33.187 5.018 -1.173 576 HA LEU 76 HA LEU 76 32.190 5.656 1.505 577 HB2 LEU 76 2HB LEU 76 31.229 7.791 0.302 578 HB3 LEU 76 3HB LEU 76 32.829 7.787 1.041 579 HG LEU 76 HG LEU 76 33.767 7.310 -1.247 580 HD11 LEU 76 1HD1 LEU 76 32.280 7.974 -3.145 581 HD12 LEU 76 2HD1 LEU 76 30.919 7.893 -2.027 582 HD13 LEU 76 3HD1 LEU 76 31.860 6.443 -2.377 583 HD21 LEU 76 3HD2 LEU 76 34.060 9.495 -0.501 584 HD22 LEU 76 1HD2 LEU 76 32.334 9.849 -0.556 585 HD23 LEU 76 2HD2 LEU 76 33.251 9.701 -2.055 586 H MET 77 H MET 77 29.893 5.840 1.642 587 HA MET 77 HA MET 77 28.363 5.036 -0.712 588 HB2 MET 77 2HB MET 77 27.247 3.223 0.444 589 HB3 MET 77 3HB MET 77 28.984 2.945 0.455 590 HG2 MET 77 2HG MET 77 28.813 2.615 2.636 591 HG3 MET 77 3HG MET 77 28.513 4.344 2.793 592 HE1 MET 77 3HE MET 77 26.373 1.513 1.193 593 HE2 MET 77 1HE MET 77 26.863 0.743 2.703 594 HE3 MET 77 2HE MET 77 25.174 1.180 2.445 595 H SER 78 H SER 78 26.542 6.171 -0.866 596 HA SER 78 HA SER 78 25.518 7.489 1.564 597 HB2 SER 78 2HB SER 78 25.346 8.467 -1.297 598 HB3 SER 78 3HB SER 78 24.718 9.305 0.121 599 HG SER 78 HG SER 78 26.718 10.160 -0.351 600 H VAL 79 H VAL 79 23.396 7.297 2.057 601 HA VAL 79 HA VAL 79 21.731 5.717 0.207 602 HB VAL 79 HB VAL 79 21.620 5.765 3.226 603 HG11 VAL 79 1HG1 VAL 79 20.143 3.623 2.090 604 HG12 VAL 79 2HG1 VAL 79 19.555 4.967 3.071 605 HG13 VAL 79 3HG1 VAL 79 19.622 5.119 1.315 606 HG21 VAL 79 3HG2 VAL 79 22.698 3.791 1.241 607 HG22 VAL 79 1HG2 VAL 79 23.477 4.464 2.673 608 HG23 VAL 79 2HG2 VAL 79 22.177 3.286 2.848 609 H SER 80 H SER 80 20.097 6.812 -0.637 610 HA SER 80 HA SER 80 18.941 9.037 0.914 611 HB2 SER 80 2HB SER 80 18.677 8.935 -2.061 612 HB3 SER 80 3HB SER 80 18.750 10.333 -0.989 613 HG SER 80 HG SER 80 20.676 10.089 -2.191 614 H PHE 81 H PHE 81 16.960 8.639 1.612 615 HA PHE 81 HA PHE 81 15.137 7.092 -0.096 616 HB2 PHE 81 2HB PHE 81 15.813 6.622 2.787 617 HB3 PHE 81 3HB PHE 81 14.210 6.212 2.186 618 HD1 PHE 81 HD2 PHE 81 17.762 5.764 1.120 619 HD2 PHE 81 HD1 PHE 81 13.899 4.033 1.567 620 HE1 PHE 81 HE2 PHE 81 18.630 3.619 0.285 621 HE2 PHE 81 HE1 PHE 81 14.762 1.885 0.734 622 HZ PHE 81 HZ PHE 81 17.130 1.676 0.092 623 H SER 82 H SER 82 13.000 7.722 -0.060 624 HA SER 82 HA SER 82 12.417 10.165 1.484 625 HB2 SER 82 2HB SER 82 11.064 10.962 -0.331 626 HB3 SER 82 3HB SER 82 12.611 10.462 -1.015 627 HG SER 82 HG SER 82 10.094 9.230 -1.206 628 H ASP 83 H ASP 83 10.297 10.434 2.286 629 HA ASP 83 HA ASP 83 8.658 9.526 3.653 630 HB2 ASP 83 2HB ASP 83 7.690 10.128 1.359 631 HB3 ASP 83 3HB ASP 83 7.694 8.397 1.029 632 H ILE 84 H ILE 84 9.991 7.980 4.774 633 HA ILE 84 HA ILE 84 9.178 5.228 4.179 634 HB ILE 84 HB ILE 84 11.379 4.338 4.564 635 HG12 ILE 84 2HG1 ILE 84 13.040 6.641 4.480 636 HG13 ILE 84 3HG1 ILE 84 11.844 6.904 5.745 637 HG21 ILE 84 1HG2 ILE 84 11.956 6.552 2.654 638 HG22 ILE 84 2HG2 ILE 84 12.294 4.827 2.516 639 HG23 ILE 84 3HG2 ILE 84 10.649 5.423 2.294 640 HD11 ILE 84 3HD1 ILE 84 13.361 4.335 5.601 641 HD12 ILE 84 1HD1 ILE 84 14.075 5.769 6.339 642 HD13 ILE 84 2HD1 ILE 84 12.578 5.096 6.985 643 H ASP 85 H ASP 85 8.943 3.901 5.965 644 HA ASP 85 HA ASP 85 8.587 5.278 8.478 645 HB2 ASP 85 2HB ASP 85 7.670 3.122 9.263 646 HB3 ASP 85 3HB ASP 85 6.912 3.658 7.766 647 H GLU 86 H GLU 86 9.420 4.370 10.517 648 HA GLU 86 HA GLU 86 12.235 4.125 10.442 649 HB2 GLU 86 2HB GLU 86 12.094 3.806 12.852 650 HB3 GLU 86 3HB GLU 86 11.029 5.108 12.345 651 HG2 GLU 86 2HG GLU 86 9.118 3.588 12.461 652 HG3 GLU 86 3HG GLU 86 10.189 2.289 12.983 653 H ASN 87 H ASN 87 9.688 1.823 10.257 654 HA ASN 87 HA ASN 87 10.886 -0.466 11.292 655 HB2 ASN 87 2HB ASN 87 8.560 0.152 9.806 656 HB3 ASN 87 3HB ASN 87 9.386 -1.136 8.935 657 HD21 ASN 87 1HD2 ASN 87 7.752 -2.599 9.437 658 HD22 ASN 87 2HD2 ASN 87 7.586 -3.276 11.018 659 H MET 88 H MET 88 10.923 0.731 7.936 660 HA MET 88 HA MET 88 12.834 -1.267 7.128 661 HB2 MET 88 2HB MET 88 12.773 -0.114 4.949 662 HB3 MET 88 3HB MET 88 11.162 -0.507 5.536 663 HG2 MET 88 2HG MET 88 11.632 2.039 6.513 664 HG3 MET 88 3HG MET 88 12.328 2.058 4.894 665 HE1 MET 88 3HE MET 88 10.962 0.635 2.981 666 HE2 MET 88 1HE MET 88 9.962 -0.459 3.938 667 HE3 MET 88 2HE MET 88 9.204 0.696 2.842 668 H LYS 89 H LYS 89 12.877 2.122 8.029 669 HA LYS 89 HA LYS 89 15.355 2.917 7.118 670 HB2 LYS 89 2HB LYS 89 13.493 4.162 8.514 671 HB3 LYS 89 3HB LYS 89 14.511 3.709 9.875 672 HG2 LYS 89 2HG LYS 89 16.315 4.985 9.094 673 HG3 LYS 89 3HG LYS 89 15.611 5.148 7.484 674 HD2 LYS 89 2HD LYS 89 13.665 6.319 8.817 675 HD3 LYS 89 3HD LYS 89 14.939 6.579 10.012 676 HE2 LYS 89 2HE LYS 89 16.321 7.630 8.257 677 HE3 LYS 89 3HE LYS 89 14.992 7.428 7.117 678 HZ1 LYS 89 3HZ LYS 89 14.304 8.776 9.586 679 HZ2 LYS 89 1HZ LYS 89 13.870 9.144 7.992 680 HZ3 LYS 89 2HZ LYS 89 15.379 9.621 8.590 681 H LYS 90 H LYS 90 14.562 1.027 9.988 682 HA LYS 90 HA LYS 90 17.060 1.025 11.227 683 HB2 LYS 90 2HB LYS 90 16.297 -0.810 12.497 684 HB3 LYS 90 3HB LYS 90 14.849 0.113 12.112 685 HG2 LYS 90 2HG LYS 90 14.081 -1.957 11.619 686 HG3 LYS 90 3HG LYS 90 14.795 -1.563 10.054 687 HD2 LYS 90 2HD LYS 90 16.477 -3.060 10.296 688 HD3 LYS 90 3HD LYS 90 16.607 -2.792 12.035 689 HE2 LYS 90 2HE LYS 90 14.230 -4.200 10.881 690 HE3 LYS 90 3HE LYS 90 15.736 -5.071 11.163 691 HZ1 LYS 90 3HZ LYS 90 15.503 -3.942 13.505 692 HZ2 LYS 90 1HZ LYS 90 14.705 -5.391 13.149 693 HZ3 LYS 90 2HZ LYS 90 13.862 -3.926 13.097 694 H VAL 91 H VAL 91 15.792 -0.991 8.626 695 HA VAL 91 HA VAL 91 18.031 -2.757 8.536 696 HB VAL 91 HB VAL 91 16.938 -3.859 6.888 697 HG11 VAL 91 1HG1 VAL 91 14.621 -3.824 7.211 698 HG12 VAL 91 2HG1 VAL 91 15.281 -3.206 8.727 699 HG13 VAL 91 3HG1 VAL 91 14.602 -2.092 7.539 700 HG21 VAL 91 3HG2 VAL 91 15.629 -2.704 5.083 701 HG22 VAL 91 1HG2 VAL 91 16.164 -1.171 5.771 702 HG23 VAL 91 2HG2 VAL 91 17.347 -2.308 5.125 703 H ILE 92 H ILE 92 17.148 0.217 6.870 704 HA ILE 92 HA ILE 92 19.228 0.141 4.944 705 HB ILE 92 HB ILE 92 17.972 2.667 5.992 706 HG12 ILE 92 2HG1 ILE 92 16.820 0.634 4.077 707 HG13 ILE 92 3HG1 ILE 92 16.117 1.199 5.588 708 HG21 ILE 92 1HG2 ILE 92 18.356 3.494 3.762 709 HG22 ILE 92 2HG2 ILE 92 19.859 2.830 4.400 710 HG23 ILE 92 3HG2 ILE 92 18.914 1.907 3.232 711 HD11 ILE 92 3HD1 ILE 92 14.994 2.160 3.659 712 HD12 ILE 92 1HD1 ILE 92 15.791 3.406 4.619 713 HD13 ILE 92 2HD1 ILE 92 16.518 2.856 3.109 714 H LYS 93 H LYS 93 18.915 1.775 8.083 715 HA LYS 93 HA LYS 93 21.431 3.045 8.030 716 HB2 LYS 93 2HB LYS 93 19.481 3.558 9.568 717 HB3 LYS 93 3HB LYS 93 19.959 2.152 10.509 718 HG2 LYS 93 2HG LYS 93 22.278 3.314 10.586 719 HG3 LYS 93 3HG LYS 93 21.363 4.762 10.163 720 HD2 LYS 93 2HD LYS 93 21.251 4.901 12.439 721 HD3 LYS 93 3HD LYS 93 19.817 3.917 12.141 722 HE2 LYS 93 2HE LYS 93 21.164 1.890 12.550 723 HE3 LYS 93 3HE LYS 93 22.553 2.911 12.920 724 HZ1 LYS 93 3HZ LYS 93 21.253 2.085 14.880 725 HZ2 LYS 93 1HZ LYS 93 19.988 3.097 14.392 726 HZ3 LYS 93 2HZ LYS 93 21.483 3.760 14.824 727 H ALA 94 H ALA 94 20.377 -0.070 9.346 728 HA ALA 94 HA ALA 94 22.798 -0.794 10.569 729 HB1 ALA 94 1HB ALA 94 20.632 -2.539 9.404 730 HB2 ALA 94 2HB ALA 94 21.936 -3.106 10.447 731 HB3 ALA 94 3HB ALA 94 20.745 -1.963 11.067 732 H THR 95 H THR 95 21.597 -1.299 7.280 733 HA THR 95 HA THR 95 23.739 -2.927 6.405 734 HB THR 95 HB THR 95 21.852 -1.176 4.821 735 HG1 THR 95 HG1 THR 95 20.573 -2.770 5.408 736 HG21 THR 95 3HG2 THR 95 23.109 -1.584 3.029 737 HG22 THR 95 1HG2 THR 95 22.825 -3.309 3.257 738 HG23 THR 95 2HG2 THR 95 24.232 -2.543 3.994 739 H ALA 96 H ALA 96 23.204 0.558 6.399 740 HA ALA 96 HA ALA 96 25.424 1.259 4.803 741 HB1 ALA 96 1HB ALA 96 24.586 3.148 6.913 742 HB2 ALA 96 2HB ALA 96 24.813 3.403 5.182 743 HB3 ALA 96 3HB ALA 96 23.339 2.636 5.774 744 H GLU 97 H GLU 97 25.018 1.122 8.337 745 HA GLU 97 HA GLU 97 27.655 1.903 8.962 746 HB2 GLU 97 2HB GLU 97 27.176 0.994 11.206 747 HB3 GLU 97 3HB GLU 97 25.883 2.028 10.615 748 HG2 GLU 97 2HG GLU 97 24.402 0.309 10.417 749 HG3 GLU 97 3HG GLU 97 25.662 -0.891 10.132 750 H LYS 98 H LYS 98 26.212 -1.183 8.187 751 HA LYS 98 HA LYS 98 28.199 -2.903 9.132 752 HB2 LYS 98 2HB LYS 98 25.830 -3.233 7.833 753 HB3 LYS 98 3HB LYS 98 26.968 -3.644 6.556 754 HG2 LYS 98 2HG LYS 98 27.583 -5.567 7.541 755 HG3 LYS 98 3HG LYS 98 27.507 -4.883 9.166 756 HD2 LYS 98 2HD LYS 98 25.047 -5.015 9.079 757 HD3 LYS 98 3HD LYS 98 25.160 -5.758 7.481 758 HE2 LYS 98 2HE LYS 98 26.316 -7.660 8.392 759 HE3 LYS 98 3HE LYS 98 26.411 -6.895 9.978 760 HZ1 LYS 98 3HZ LYS 98 24.465 -7.790 10.474 761 HZ2 LYS 98 1HZ LYS 98 24.359 -8.496 8.940 762 HZ3 LYS 98 2HZ LYS 98 23.728 -6.949 9.204 763 H PHE 99 H PHE 99 27.968 -1.085 6.120 764 HA PHE 99 HA PHE 99 30.155 -2.269 4.802 765 HB2 PHE 99 2HB PHE 99 28.540 0.191 4.480 766 HB3 PHE 99 3HB PHE 99 30.145 0.224 3.758 767 HD1 PHE 99 HD2 PHE 99 27.027 -1.790 3.884 768 HD2 PHE 99 HD1 PHE 99 30.511 -0.735 1.679 769 HE1 PHE 99 HE2 PHE 99 26.173 -3.038 1.943 770 HE2 PHE 99 HE1 PHE 99 29.663 -1.981 -0.265 771 HZ PHE 99 HZ PHE 99 27.491 -3.136 -0.134 772 H LYS 100 H LYS 100 29.930 0.311 7.158 773 HA LYS 100 HA LYS 100 32.518 1.375 6.860 774 HB2 LYS 100 2HB LYS 100 30.794 2.559 8.096 775 HB3 LYS 100 3HB LYS 100 30.718 1.268 9.287 776 HG2 LYS 100 2HG LYS 100 32.836 1.808 10.160 777 HG3 LYS 100 3HG LYS 100 33.223 2.845 8.785 778 HD2 LYS 100 2HD LYS 100 30.938 3.414 10.660 779 HD3 LYS 100 3HD LYS 100 32.573 4.019 10.938 780 HE2 LYS 100 2HE LYS 100 32.383 4.914 8.513 781 HE3 LYS 100 3HE LYS 100 30.650 4.695 8.745 782 HZ1 LYS 100 3HZ LYS 100 30.607 6.623 9.801 783 HZ2 LYS 100 1HZ LYS 100 32.283 6.797 9.643 784 HZ3 LYS 100 2HZ LYS 100 31.638 6.008 10.993 785 H ASN 101 H ASN 101 31.317 -1.447 8.519 786 HA ASN 101 HA ASN 101 33.501 -1.920 10.225 787 HB2 ASN 101 2HB ASN 101 31.494 -3.798 8.972 788 HB3 ASN 101 3HB ASN 101 32.693 -4.319 10.152 789 HD21 ASN 101 1HD2 ASN 101 29.955 -2.184 9.631 790 HD22 ASN 101 2HD2 ASN 101 29.484 -2.080 11.290 791 H LYS 102 H LYS 102 33.225 -2.119 6.843 792 HA LYS 102 HA LYS 102 35.506 -3.945 6.610 793 HB2 LYS 102 2HB LYS 102 33.352 -4.157 5.207 794 HB3 LYS 102 3HB LYS 102 33.961 -2.772 4.310 795 HG2 LYS 102 2HG LYS 102 34.746 -4.498 3.033 796 HG3 LYS 102 3HG LYS 102 36.122 -4.230 4.106 797 HD2 LYS 102 2HD LYS 102 34.063 -6.128 5.053 798 HD3 LYS 102 3HD LYS 102 35.033 -6.647 3.673 799 HE2 LYS 102 2HE LYS 102 37.020 -5.793 5.168 800 HE3 LYS 102 3HE LYS 102 35.866 -6.056 6.475 801 HZ1 LYS 102 3HZ LYS 102 35.700 -8.315 4.945 802 HZ2 LYS 102 1HZ LYS 102 36.516 -8.164 6.420 803 HZ3 LYS 102 2HZ LYS 102 37.355 -7.965 4.965 804 H GLY 103 H GLY 103 35.125 -0.791 7.147 805 HA2 GLY 103 2HA GLY 103 36.816 0.827 7.093 806 HA3 GLY 103 3HA GLY 103 37.681 -0.148 5.914 807 H PHE 104 H PHE 104 34.503 1.468 6.082 808 HA PHE 104 HA PHE 104 35.187 2.952 3.658 809 HB2 PHE 104 2HB PHE 104 32.736 1.211 3.966 810 HB3 PHE 104 3HB PHE 104 32.929 2.417 2.698 811 HD1 PHE 104 HD2 PHE 104 34.365 -0.705 4.073 812 HD2 PHE 104 HD1 PHE 104 34.110 1.927 0.738 813 HE1 PHE 104 HE2 PHE 104 35.524 -2.367 2.678 814 HE2 PHE 104 HE1 PHE 104 35.268 0.269 -0.663 815 HZ PHE 104 HZ PHE 104 35.978 -1.881 0.307 816 H LYS 105 H LYS 105 33.473 4.630 3.170 817 HA LYS 105 HA LYS 105 32.727 5.915 5.686 818 HB2 LYS 105 2HB LYS 105 34.021 7.240 4.091 819 HB3 LYS 105 3HB LYS 105 32.794 6.983 2.857 820 HG2 LYS 105 2HG LYS 105 32.456 9.157 3.705 821 HG3 LYS 105 3HG LYS 105 31.171 8.153 4.381 822 HD2 LYS 105 2HD LYS 105 31.826 9.226 6.282 823 HD3 LYS 105 3HD LYS 105 32.948 7.865 6.334 824 HE2 LYS 105 2HE LYS 105 33.718 10.375 4.907 825 HE3 LYS 105 3HE LYS 105 33.821 10.303 6.665 826 HZ1 LYS 105 3HZ LYS 105 35.508 9.088 4.683 827 HZ2 LYS 105 1HZ LYS 105 35.013 8.002 5.881 828 HZ3 LYS 105 2HZ LYS 105 35.823 9.423 6.311 829 H VAL 106 H VAL 106 30.661 6.408 6.259 830 HA VAL 106 HA VAL 106 28.529 5.407 4.484 831 HB VAL 106 HB VAL 106 28.443 5.565 7.499 832 HG11 VAL 106 1HG1 VAL 106 26.505 4.742 5.393 833 HG12 VAL 106 2HG1 VAL 106 26.487 3.900 6.944 834 HG13 VAL 106 3HG1 VAL 106 26.236 5.645 6.884 835 HG21 VAL 106 3HG2 VAL 106 30.067 3.887 6.623 836 HG22 VAL 106 1HG2 VAL 106 28.735 3.187 7.543 837 HG23 VAL 106 2HG2 VAL 106 28.730 3.104 5.781 838 H GLU 107 H GLU 107 26.975 6.786 3.887 839 HA GLU 107 HA GLU 107 26.704 9.316 5.365 840 HB2 GLU 107 2HB GLU 107 26.362 9.202 2.386 841 HB3 GLU 107 3HB GLU 107 26.671 10.597 3.410 842 HG2 GLU 107 2HG GLU 107 28.910 9.172 3.861 843 HG3 GLU 107 3HG GLU 107 28.544 8.676 2.210 844 H THR 108 H THR 108 24.662 10.002 5.740 845 HA THR 108 HA THR 108 22.474 8.406 4.574 846 HB THR 108 HB THR 108 21.229 8.597 6.611 847 HG1 THR 108 HG1 THR 108 21.641 10.120 8.025 848 HG21 THR 108 3HG2 THR 108 22.522 7.262 8.075 849 HG22 THR 108 1HG2 THR 108 24.035 7.952 7.492 850 HG23 THR 108 2HG2 THR 108 23.096 6.881 6.452 851 H ASP 109 H ASP 109 20.870 9.477 3.589 852 HA ASP 109 HA ASP 109 20.617 12.369 4.043 853 HB2 ASP 109 2HB ASP 109 21.869 11.555 1.854 854 HB3 ASP 109 3HB ASP 109 20.222 11.310 1.279 855 H MET 110 H MET 110 18.539 13.242 3.671 856 HA MET 110 HA MET 110 16.378 11.348 3.131 857 HB2 MET 110 2HB MET 110 15.128 11.957 5.086 858 HB3 MET 110 3HB MET 110 16.729 11.448 5.605 859 HG2 MET 110 2HG MET 110 17.366 13.873 5.681 860 HG3 MET 110 3HG MET 110 15.665 14.250 5.416 861 HE1 MET 110 3HE MET 110 13.816 13.868 8.257 862 HE2 MET 110 1HE MET 110 13.883 13.250 6.606 863 HE3 MET 110 2HE MET 110 14.039 12.142 7.970
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