NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620289 | 5szw | 30155 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -0.210 19.673 -1.143 2 H2 GLY 1 H2 GLY 1 -0.085 21.294 -0.687 3 H3 GLY 1 H3 GLY 1 -1.550 20.474 -0.494 4 HA2 GLY 1 HA2 GLY 1 -0.404 20.721 1.624 5 HA3 GLY 1 HA3 GLY 1 -0.591 19.034 1.164 6 H HIS 2 H HIS 2 1.216 18.830 2.764 7 HA HIS 2 HA HIS 2 3.816 19.735 1.847 8 HB2 HIS 2 HB2 HIS 2 2.924 18.162 4.260 9 HB3 HIS 2 HB3 HIS 2 4.621 18.440 3.888 10 HD1 HIS 2 HD1 HIS 2 1.985 19.803 5.845 11 HD2 HIS 2 HD2 HIS 2 5.088 21.412 3.596 12 HE1 HIS 2 HE1 HIS 2 2.309 22.142 6.710 13 HE2 HIS 2 HE2 HIS 2 4.008 23.164 5.158 14 H MET 3 H MET 3 1.974 16.758 2.028 15 HA MET 3 HA MET 3 4.220 15.147 1.170 16 HB2 MET 3 HB2 MET 3 2.527 14.297 2.791 17 HB3 MET 3 HB3 MET 3 1.321 14.357 1.515 18 HG2 MET 3 HG2 MET 3 2.564 12.708 0.234 19 HG3 MET 3 HG3 MET 3 3.815 12.670 1.475 20 HE1 MET 3 HE1 MET 3 -0.518 11.206 2.158 21 HE2 MET 3 HE2 MET 3 0.055 11.899 0.641 22 HE3 MET 3 HE3 MET 3 -0.089 12.914 2.075 23 H SER 4 H SER 4 4.212 16.793 -0.735 24 HA SER 4 HA SER 4 2.428 16.125 -2.896 25 HB2 SER 4 HB2 SER 4 5.020 17.685 -3.019 26 HB3 SER 4 HB3 SER 4 3.686 17.736 -4.173 27 HG SER 4 HG SER 4 2.565 18.320 -1.926 28 H ASN 5 H ASN 5 2.773 13.856 -3.022 29 HA ASN 5 HA ASN 5 5.254 13.076 -4.353 30 HB2 ASN 5 HB2 ASN 5 5.552 12.796 -1.877 31 HB3 ASN 5 HB3 ASN 5 4.216 11.653 -1.892 32 HD21 ASN 5 HD21 ASN 5 4.519 9.621 -2.752 33 HD22 ASN 5 HD22 ASN 5 6.090 8.994 -3.115 34 H GLY 6 H GLY 6 4.490 12.231 -6.185 35 HA2 GLY 6 HA2 GLY 6 1.906 11.006 -6.390 36 HA3 GLY 6 HA3 GLY 6 3.106 11.130 -7.667 37 H TYR 7 H TYR 7 4.680 9.833 -5.138 38 HA TYR 7 HA TYR 7 5.270 7.798 -4.375 39 HB2 TYR 7 HB2 TYR 7 2.672 6.827 -5.575 40 HB3 TYR 7 HB3 TYR 7 3.694 5.915 -4.472 41 HD1 TYR 7 HD1 TYR 7 4.263 7.338 -2.216 42 HD2 TYR 7 HD2 TYR 7 0.794 7.788 -4.664 43 HE1 TYR 7 HE1 TYR 7 3.043 8.294 -0.308 44 HE2 TYR 7 HE2 TYR 7 -0.422 8.753 -2.753 45 HH TYR 7 HH TYR 7 1.092 9.807 0.063 46 H GLU 8 H GLU 8 6.891 8.201 -6.186 47 HA GLU 8 HA GLU 8 6.751 6.155 -8.245 48 HB2 GLU 8 HB2 GLU 8 8.853 7.002 -9.035 49 HB3 GLU 8 HB3 GLU 8 7.818 8.375 -8.685 50 HG2 GLU 8 HG2 GLU 8 9.012 8.499 -6.445 51 HG3 GLU 8 HG3 GLU 8 10.171 7.364 -7.141 52 H ASP 9 H ASP 9 6.477 5.330 -5.641 53 HA ASP 9 HA ASP 9 7.193 4.005 -3.963 54 HB2 ASP 9 HB2 ASP 9 8.105 1.861 -4.650 55 HB3 ASP 9 HB3 ASP 9 6.830 2.375 -5.743 56 H HIS 10 H HIS 10 8.997 6.260 -4.524 57 HA HIS 10 HA HIS 10 11.110 7.037 -4.170 58 HB2 HIS 10 HB2 HIS 10 11.797 5.117 -2.041 59 HB3 HIS 10 HB3 HIS 10 11.741 6.866 -2.003 60 HD1 HIS 10 HD1 HIS 10 9.392 7.962 -1.429 61 HD2 HIS 10 HD2 HIS 10 9.595 3.828 -1.042 62 HE1 HIS 10 HE1 HIS 10 7.332 7.303 -0.136 63 HE2 HIS 10 HE2 HIS 10 7.603 4.830 0.291 64 H MET 11 H MET 11 10.850 5.234 -6.168 65 HA MET 11 HA MET 11 12.858 3.295 -6.375 66 HB2 MET 11 HB2 MET 11 11.264 3.218 -8.048 67 HB3 MET 11 HB3 MET 11 11.232 4.960 -8.238 68 HG2 MET 11 HG2 MET 11 13.560 4.709 -9.259 69 HG3 MET 11 HG3 MET 11 13.180 2.989 -9.364 70 HE1 MET 11 HE1 MET 11 12.015 6.598 -10.309 71 HE2 MET 11 HE2 MET 11 10.505 5.905 -9.709 72 HE3 MET 11 HE3 MET 11 10.683 6.288 -11.422 73 H ALA 12 H ALA 12 12.901 6.760 -6.623 74 HA ALA 12 HA ALA 12 15.566 6.915 -7.697 75 HB1 ALA 12 HB1 ALA 12 13.818 9.039 -6.459 76 HB2 ALA 12 HB2 ALA 12 13.942 8.665 -8.179 77 HB3 ALA 12 HB3 ALA 12 15.332 9.323 -7.316 78 H GLU 13 H GLU 13 14.762 5.598 -5.033 79 HA GLU 13 HA GLU 13 15.923 5.019 -3.166 80 HB2 GLU 13 HB2 GLU 13 17.971 7.135 -3.857 81 HB3 GLU 13 HB3 GLU 13 18.170 5.775 -2.764 82 HG2 GLU 13 HG2 GLU 13 17.793 4.300 -4.791 83 HG3 GLU 13 HG3 GLU 13 18.014 5.768 -5.744 84 H ASP 14 H ASP 14 17.375 6.802 -1.437 85 HA ASP 14 HA ASP 14 17.121 8.493 0.070 86 HB2 ASP 14 HB2 ASP 14 16.623 9.691 -2.213 87 HB3 ASP 14 HB3 ASP 14 14.960 9.696 -1.626 88 H CYS 15 H CYS 15 14.957 9.832 1.037 89 HA CYS 15 HA CYS 15 13.155 9.660 2.392 90 HB2 CYS 15 HB2 CYS 15 12.421 7.533 0.381 91 HB3 CYS 15 HB3 CYS 15 11.329 8.152 1.631 92 HG CYS 15 HG CYS 15 12.533 10.713 0.007 93 H ARG 16 H ARG 16 11.785 7.998 3.696 94 HA ARG 16 HA ARG 16 13.643 6.196 4.990 95 HB2 ARG 16 HB2 ARG 16 10.832 7.060 5.677 96 HB3 ARG 16 HB3 ARG 16 11.745 5.889 6.619 97 HG2 ARG 16 HG2 ARG 16 11.988 7.939 7.720 98 HG3 ARG 16 HG3 ARG 16 13.513 7.660 6.888 99 HD2 ARG 16 HD2 ARG 16 13.133 9.870 6.365 100 HD3 ARG 16 HD3 ARG 16 12.356 9.075 4.989 101 HE ARG 16 HE ARG 16 10.338 9.328 6.780 102 HH11 ARG 16 HH11 ARG 16 12.634 11.604 5.423 103 HH12 ARG 16 HH12 ARG 16 11.569 12.963 5.585 104 HH21 ARG 16 HH21 ARG 16 8.934 11.137 6.981 105 HH22 ARG 16 HH22 ARG 16 9.480 12.701 6.460 106 H GLY 17 H GLY 17 13.750 4.804 3.095 107 HA2 GLY 17 HA2 GLY 17 11.629 2.783 3.226 108 HA3 GLY 17 HA3 GLY 17 12.029 3.469 1.655 109 H ASP 18 H ASP 18 14.416 2.905 4.141 110 HA ASP 18 HA ASP 18 15.335 0.476 2.813 111 HB2 ASP 18 HB2 ASP 18 17.613 1.268 2.549 112 HB3 ASP 18 HB3 ASP 18 16.524 2.356 1.695 113 H ILE 19 H ILE 19 14.123 1.232 5.340 114 HA ILE 19 HA ILE 19 16.231 0.700 7.288 115 HB ILE 19 HB ILE 19 13.693 0.986 8.536 116 HG12 ILE 19 HG12 ILE 19 13.864 3.595 7.576 117 HG13 ILE 19 HG13 ILE 19 14.013 2.596 6.143 118 HG21 ILE 19 HG21 ILE 19 15.851 1.481 9.539 119 HG22 ILE 19 HG22 ILE 19 14.784 2.883 9.613 120 HG23 ILE 19 HG23 ILE 19 16.075 2.820 8.415 121 HD11 ILE 19 HD11 ILE 19 11.775 2.387 8.137 122 HD12 ILE 19 HD12 ILE 19 11.925 1.505 6.615 123 HD13 ILE 19 HD13 ILE 19 11.698 3.254 6.604 124 H GLY 20 H GLY 20 12.846 -0.135 7.141 125 HA2 GLY 20 HA2 GLY 20 13.239 -2.934 6.652 126 HA3 GLY 20 HA3 GLY 20 12.751 -2.589 8.316 127 H ARG 21 H ARG 21 11.976 -1.208 5.181 128 HA ARG 21 HA ARG 21 9.357 -0.524 5.988 129 HB2 ARG 21 HB2 ARG 21 9.219 -0.184 3.332 130 HB3 ARG 21 HB3 ARG 21 9.930 0.982 4.434 131 HG2 ARG 21 HG2 ARG 21 11.405 0.735 2.605 132 HG3 ARG 21 HG3 ARG 21 12.142 -0.069 3.987 133 HD2 ARG 21 HD2 ARG 21 11.496 -2.228 3.136 134 HD3 ARG 21 HD3 ARG 21 10.577 -1.483 1.830 135 HE ARG 21 HE ARG 21 13.259 -0.634 1.686 136 HH11 ARG 21 HH11 ARG 21 11.301 -3.494 1.164 137 HH12 ARG 21 HH12 ARG 21 12.378 -4.171 -0.015 138 HH21 ARG 21 HH21 ARG 21 14.674 -1.535 0.116 139 HH22 ARG 21 HH22 ARG 21 14.282 -3.060 -0.613 140 H THR 22 H THR 22 8.366 -2.425 6.618 141 HA THR 22 HA THR 22 7.614 -4.294 4.497 142 HB THR 22 HB THR 22 6.575 -5.594 6.327 143 HG1 THR 22 HG1 THR 22 5.982 -3.994 7.777 144 HG21 THR 22 HG21 THR 22 8.949 -5.955 5.800 145 HG22 THR 22 HG22 THR 22 8.623 -6.203 7.516 146 HG23 THR 22 HG23 THR 22 9.392 -4.711 6.971 147 H ASN 23 H ASN 23 6.529 -1.595 6.261 148 HA ASN 23 HA ASN 23 3.705 -1.884 5.971 149 HB2 ASN 23 HB2 ASN 23 4.931 -0.367 7.602 150 HB3 ASN 23 HB3 ASN 23 5.291 0.678 6.224 151 HD21 ASN 23 HD21 ASN 23 4.157 2.356 7.240 152 HD22 ASN 23 HD22 ASN 23 2.429 2.395 7.248 153 H LEU 24 H LEU 24 2.590 -1.691 4.114 154 HA LEU 24 HA LEU 24 3.865 -0.199 1.922 155 HB2 LEU 24 HB2 LEU 24 3.201 -2.858 1.991 156 HB3 LEU 24 HB3 LEU 24 1.796 -2.152 1.221 157 HG LEU 24 HG LEU 24 3.188 -1.224 -0.545 158 HD11 LEU 24 HD11 LEU 24 5.596 -1.977 -0.628 159 HD12 LEU 24 HD12 LEU 24 5.431 -2.392 1.078 160 HD13 LEU 24 HD13 LEU 24 5.224 -0.724 0.551 161 HD21 LEU 24 HD21 LEU 24 2.316 -3.533 -0.677 162 HD22 LEU 24 HD22 LEU 24 3.866 -4.107 -0.064 163 HD23 LEU 24 HD23 LEU 24 3.786 -3.270 -1.613 164 H ILE 25 H ILE 25 2.926 1.665 1.635 165 HA ILE 25 HA ILE 25 0.135 2.099 2.212 166 HB ILE 25 HB ILE 25 1.802 3.918 2.533 167 HG12 ILE 25 HG12 ILE 25 -0.480 4.330 0.612 168 HG13 ILE 25 HG13 ILE 25 -0.472 4.506 2.366 169 HG21 ILE 25 HG21 ILE 25 2.694 5.128 0.625 170 HG22 ILE 25 HG22 ILE 25 1.946 3.970 -0.475 171 HG23 ILE 25 HG23 ILE 25 3.237 3.447 0.611 172 HD11 ILE 25 HD11 ILE 25 1.028 6.271 0.456 173 HD12 ILE 25 HD12 ILE 25 0.904 6.466 2.204 174 HD13 ILE 25 HD13 ILE 25 -0.530 6.651 1.190 175 H VAL 26 H VAL 26 -1.465 1.798 0.808 176 HA VAL 26 HA VAL 26 -0.721 1.513 -2.027 177 HB VAL 26 HB VAL 26 -3.075 0.144 -0.739 178 HG11 VAL 26 HG11 VAL 26 -1.610 -0.261 -3.350 179 HG12 VAL 26 HG12 VAL 26 -3.199 0.476 -3.156 180 HG13 VAL 26 HG13 VAL 26 -2.966 -1.231 -2.777 181 HG21 VAL 26 HG21 VAL 26 -1.705 -1.883 -0.758 182 HG22 VAL 26 HG22 VAL 26 -1.036 -0.648 0.311 183 HG23 VAL 26 HG23 VAL 26 -0.318 -0.927 -1.276 184 H ASN 27 H ASN 27 -1.297 3.277 -2.972 185 HA ASN 27 HA ASN 27 -3.626 4.757 -2.019 186 HB2 ASN 27 HB2 ASN 27 -1.191 5.669 -2.668 187 HB3 ASN 27 HB3 ASN 27 -1.947 5.781 -4.245 188 HD21 ASN 27 HD21 ASN 27 -1.767 7.041 -1.069 189 HD22 ASN 27 HD22 ASN 27 -2.821 8.387 -1.299 190 H TYR 28 H TYR 28 -4.808 5.866 -3.877 191 HA TYR 28 HA TYR 28 -6.277 5.691 -5.595 192 HB2 TYR 28 HB2 TYR 28 -4.140 3.967 -6.858 193 HB3 TYR 28 HB3 TYR 28 -5.413 4.846 -7.698 194 HD1 TYR 28 HD1 TYR 28 -5.323 7.364 -7.754 195 HD2 TYR 28 HD2 TYR 28 -2.157 5.033 -6.152 196 HE1 TYR 28 HE1 TYR 28 -3.832 9.317 -7.868 197 HE2 TYR 28 HE2 TYR 28 -0.648 6.971 -6.250 198 HH TYR 28 HH TYR 28 -0.510 9.116 -7.613 199 H LEU 29 H LEU 29 -6.386 3.715 -3.443 200 HA LEU 29 HA LEU 29 -7.193 1.197 -4.499 201 HB2 LEU 29 HB2 LEU 29 -7.931 2.594 -1.922 202 HB3 LEU 29 HB3 LEU 29 -8.387 0.948 -2.310 203 HG LEU 29 HG LEU 29 -5.615 2.012 -1.827 204 HD11 LEU 29 HD11 LEU 29 -7.236 -0.127 -0.459 205 HD12 LEU 29 HD12 LEU 29 -6.959 1.503 0.154 206 HD13 LEU 29 HD13 LEU 29 -5.606 0.387 -0.025 207 HD21 LEU 29 HD21 LEU 29 -5.430 0.518 -3.673 208 HD22 LEU 29 HD22 LEU 29 -6.493 -0.656 -2.900 209 HD23 LEU 29 HD23 LEU 29 -4.895 -0.337 -2.227 210 HA PRO 30 HA PRO 30 -10.988 2.153 -6.428 211 HB2 PRO 30 HB2 PRO 30 -12.209 -0.215 -5.168 212 HB3 PRO 30 HB3 PRO 30 -11.948 0.154 -6.869 213 HG2 PRO 30 HG2 PRO 30 -10.499 -1.676 -5.380 214 HG3 PRO 30 HG3 PRO 30 -10.000 -0.982 -6.924 215 HD2 PRO 30 HD2 PRO 30 -8.946 -0.500 -4.261 216 HD3 PRO 30 HD3 PRO 30 -8.275 -0.030 -5.830 217 H GLN 31 H GLN 31 -12.902 3.167 -5.852 218 HA GLN 31 HA GLN 31 -12.830 4.270 -3.241 219 HB2 GLN 31 HB2 GLN 31 -14.774 4.624 -5.516 220 HB3 GLN 31 HB3 GLN 31 -14.798 5.581 -4.039 221 HG2 GLN 31 HG2 GLN 31 -12.433 5.401 -5.898 222 HG3 GLN 31 HG3 GLN 31 -13.653 6.677 -5.957 223 HE21 GLN 31 HE21 GLN 31 -11.034 5.296 -4.116 224 HE22 GLN 31 HE22 GLN 31 -10.790 6.652 -3.075 225 H ASN 32 H ASN 32 -14.375 1.505 -4.428 226 HA ASN 32 HA ASN 32 -16.198 1.516 -2.123 227 HB2 ASN 32 HB2 ASN 32 -17.719 0.126 -3.388 228 HB3 ASN 32 HB3 ASN 32 -17.360 1.575 -4.317 229 HD21 ASN 32 HD21 ASN 32 -18.335 -0.984 -5.242 230 HD22 ASN 32 HD22 ASN 32 -17.176 -1.569 -6.383 231 H MET 33 H MET 33 -13.307 0.368 -2.830 232 HA MET 33 HA MET 33 -13.692 -2.461 -2.467 233 HB2 MET 33 HB2 MET 33 -11.686 -0.977 -3.513 234 HB3 MET 33 HB3 MET 33 -11.037 -1.319 -1.916 235 HG2 MET 33 HG2 MET 33 -11.397 -3.712 -2.309 236 HG3 MET 33 HG3 MET 33 -11.997 -3.346 -3.914 237 HE1 MET 33 HE1 MET 33 -8.812 -2.902 -1.553 238 HE2 MET 33 HE2 MET 33 -9.135 -1.318 -2.268 239 HE3 MET 33 HE3 MET 33 -7.691 -2.218 -2.736 240 H THR 34 H THR 34 -12.356 -3.576 -0.667 241 HA THR 34 HA THR 34 -12.971 -2.227 1.882 242 HB THR 34 HB THR 34 -13.593 -4.314 2.855 243 HG1 THR 34 HG1 THR 34 -13.470 -6.260 1.474 244 HG21 THR 34 HG21 THR 34 -15.283 -3.260 1.362 245 HG22 THR 34 HG22 THR 34 -15.469 -5.008 1.515 246 HG23 THR 34 HG23 THR 34 -14.734 -4.325 0.061 247 H GLN 35 H GLN 35 -11.681 -3.024 3.763 248 HA GLN 35 HA GLN 35 -8.933 -3.161 3.425 249 HB2 GLN 35 HB2 GLN 35 -10.505 -4.552 5.594 250 HB3 GLN 35 HB3 GLN 35 -8.784 -4.221 5.625 251 HG2 GLN 35 HG2 GLN 35 -9.760 -2.623 7.003 252 HG3 GLN 35 HG3 GLN 35 -9.381 -1.789 5.505 253 HE21 GLN 35 HE21 GLN 35 -12.114 -3.957 5.877 254 HE22 GLN 35 HE22 GLN 35 -13.338 -2.736 5.770 255 H ASP 36 H ASP 36 -11.298 -5.754 3.701 256 HA ASP 36 HA ASP 36 -9.512 -7.915 3.726 257 HB2 ASP 36 HB2 ASP 36 -11.904 -8.046 4.350 258 HB3 ASP 36 HB3 ASP 36 -12.348 -7.818 2.665 259 H GLU 37 H GLU 37 -10.981 -6.164 1.030 260 HA GLU 37 HA GLU 37 -9.991 -7.907 -0.999 261 HB2 GLU 37 HB2 GLU 37 -10.804 -4.999 -1.127 262 HB3 GLU 37 HB3 GLU 37 -10.518 -6.024 -2.525 263 HG2 GLU 37 HG2 GLU 37 -12.642 -6.464 -0.441 264 HG3 GLU 37 HG3 GLU 37 -12.908 -5.756 -2.033 265 H LEU 38 H LEU 38 -8.954 -4.754 0.224 266 HA LEU 38 HA LEU 38 -6.577 -4.462 -1.199 267 HB2 LEU 38 HB2 LEU 38 -7.679 -2.691 0.097 268 HB3 LEU 38 HB3 LEU 38 -7.367 -3.541 1.583 269 HG LEU 38 HG LEU 38 -5.915 -1.485 0.882 270 HD11 LEU 38 HD11 LEU 38 -4.098 -2.310 2.195 271 HD12 LEU 38 HD12 LEU 38 -4.618 -3.976 1.940 272 HD13 LEU 38 HD13 LEU 38 -5.622 -2.872 2.888 273 HD21 LEU 38 HD21 LEU 38 -3.875 -2.116 -0.293 274 HD22 LEU 38 HD22 LEU 38 -5.302 -2.323 -1.311 275 HD23 LEU 38 HD23 LEU 38 -4.538 -3.729 -0.569 276 H ARG 39 H ARG 39 -7.334 -6.210 1.716 277 HA ARG 39 HA ARG 39 -4.651 -6.865 2.422 278 HB2 ARG 39 HB2 ARG 39 -6.719 -6.649 3.921 279 HB3 ARG 39 HB3 ARG 39 -7.173 -8.234 3.347 280 HG2 ARG 39 HG2 ARG 39 -4.574 -7.676 4.726 281 HG3 ARG 39 HG3 ARG 39 -6.040 -8.147 5.573 282 HD2 ARG 39 HD2 ARG 39 -6.138 -10.184 4.195 283 HD3 ARG 39 HD3 ARG 39 -4.592 -9.729 3.471 284 HE ARG 39 HE ARG 39 -4.190 -9.731 6.205 285 HH11 ARG 39 HH11 ARG 39 -5.142 -12.065 3.777 286 HH12 ARG 39 HH12 ARG 39 -4.430 -13.407 4.607 287 HH21 ARG 39 HH21 ARG 39 -3.243 -11.492 7.299 288 HH22 ARG 39 HH22 ARG 39 -3.340 -13.082 6.612 289 H SER 40 H SER 40 -7.300 -8.583 0.750 290 HA SER 40 HA SER 40 -5.938 -11.088 0.700 291 HB2 SER 40 HB2 SER 40 -8.433 -10.798 0.521 292 HB3 SER 40 HB3 SER 40 -8.187 -10.205 -1.120 293 HG SER 40 HG SER 40 -7.911 -12.786 -0.085 294 H LEU 41 H LEU 41 -6.285 -8.447 -1.612 295 HA LEU 41 HA LEU 41 -5.005 -9.672 -3.792 296 HB2 LEU 41 HB2 LEU 41 -6.440 -7.599 -3.745 297 HB3 LEU 41 HB3 LEU 41 -5.065 -6.756 -3.079 298 HG LEU 41 HG LEU 41 -5.682 -6.745 -5.665 299 HD11 LEU 41 HD11 LEU 41 -3.410 -6.021 -6.103 300 HD12 LEU 41 HD12 LEU 41 -2.875 -6.756 -4.594 301 HD13 LEU 41 HD13 LEU 41 -3.981 -5.385 -4.560 302 HD21 LEU 41 HD21 LEU 41 -3.714 -9.020 -5.381 303 HD22 LEU 41 HD22 LEU 41 -4.176 -8.239 -6.897 304 HD23 LEU 41 HD23 LEU 41 -5.374 -9.145 -5.973 305 H PHE 42 H PHE 42 -3.734 -7.867 -1.048 306 HA PHE 42 HA PHE 42 -1.062 -8.111 -2.069 307 HB2 PHE 42 HB2 PHE 42 -2.225 -6.991 0.459 308 HB3 PHE 42 HB3 PHE 42 -0.481 -7.223 0.280 309 HD1 PHE 42 HD1 PHE 42 -3.383 -5.782 -1.565 310 HD2 PHE 42 HD2 PHE 42 0.771 -5.510 -0.638 311 HE1 PHE 42 HE1 PHE 42 -3.221 -3.723 -2.887 312 HE2 PHE 42 HE2 PHE 42 0.915 -3.428 -1.961 313 HZ PHE 42 HZ PHE 42 -1.072 -2.563 -3.074 314 H SER 43 H SER 43 -3.172 -9.946 -0.063 315 HA SER 43 HA SER 43 -1.189 -11.661 1.033 316 HB2 SER 43 HB2 SER 43 -3.600 -11.441 1.823 317 HB3 SER 43 HB3 SER 43 -4.057 -12.407 0.422 318 HG SER 43 HG SER 43 -2.154 -13.250 2.355 319 H SER 44 H SER 44 -2.423 -11.197 -2.102 320 HA SER 44 HA SER 44 -1.990 -13.805 -3.141 321 HB2 SER 44 HB2 SER 44 -2.450 -12.890 -5.242 322 HB3 SER 44 HB3 SER 44 -3.304 -11.764 -4.178 323 HG SER 44 HG SER 44 -1.929 -10.236 -4.657 324 H ILE 45 H ILE 45 -0.058 -10.888 -2.843 325 HA ILE 45 HA ILE 45 2.307 -11.852 -4.037 326 HB ILE 45 HB ILE 45 1.786 -9.723 -1.977 327 HG12 ILE 45 HG12 ILE 45 1.204 -9.504 -4.457 328 HG13 ILE 45 HG13 ILE 45 2.170 -8.215 -3.744 329 HG21 ILE 45 HG21 ILE 45 3.987 -10.568 -1.425 330 HG22 ILE 45 HG22 ILE 45 4.147 -9.001 -2.228 331 HG23 ILE 45 HG23 ILE 45 4.472 -10.488 -3.117 332 HD11 ILE 45 HD11 ILE 45 4.163 -9.106 -4.711 333 HD12 ILE 45 HD12 ILE 45 2.935 -8.909 -5.965 334 HD13 ILE 45 HD13 ILE 45 3.286 -10.511 -5.321 335 H GLY 46 H GLY 46 1.137 -11.999 -0.697 336 HA2 GLY 46 HA2 GLY 46 2.459 -14.324 0.013 337 HA3 GLY 46 HA3 GLY 46 3.572 -13.011 0.368 338 H GLU 47 H GLU 47 3.536 -13.174 2.573 339 HA GLU 47 HA GLU 47 0.978 -13.335 3.912 340 HB2 GLU 47 HB2 GLU 47 3.811 -13.620 4.781 341 HB3 GLU 47 HB3 GLU 47 2.586 -13.237 5.984 342 HG2 GLU 47 HG2 GLU 47 1.371 -15.211 5.488 343 HG3 GLU 47 HG3 GLU 47 2.391 -15.551 4.095 344 H VAL 48 H VAL 48 -0.127 -11.750 4.432 345 HA VAL 48 HA VAL 48 1.075 -9.096 4.785 346 HB VAL 48 HB VAL 48 -1.825 -9.894 4.473 347 HG11 VAL 48 HG11 VAL 48 -0.516 -7.221 4.860 348 HG12 VAL 48 HG12 VAL 48 -1.829 -7.945 5.790 349 HG13 VAL 48 HG13 VAL 48 -2.115 -7.398 4.137 350 HG21 VAL 48 HG21 VAL 48 0.016 -8.477 2.561 351 HG22 VAL 48 HG22 VAL 48 -1.670 -8.911 2.272 352 HG23 VAL 48 HG23 VAL 48 -0.449 -10.175 2.457 353 H GLU 49 H GLU 49 1.573 -8.489 6.597 354 HA GLU 49 HA GLU 49 1.009 -9.777 8.982 355 HB2 GLU 49 HB2 GLU 49 2.967 -8.402 8.390 356 HB3 GLU 49 HB3 GLU 49 1.961 -6.977 8.604 357 HG2 GLU 49 HG2 GLU 49 2.272 -9.044 10.741 358 HG3 GLU 49 HG3 GLU 49 3.432 -7.764 10.522 359 H SER 50 H SER 50 -0.078 -6.646 7.695 360 HA SER 50 HA SER 50 -2.728 -7.001 8.725 361 HB2 SER 50 HB2 SER 50 -2.679 -4.954 10.184 362 HB3 SER 50 HB3 SER 50 -1.752 -6.311 10.817 363 HG SER 50 HG SER 50 0.115 -5.295 10.348 364 H ALA 51 H ALA 51 -4.119 -5.920 7.424 365 HA ALA 51 HA ALA 51 -2.994 -3.749 5.792 366 HB1 ALA 51 HB1 ALA 51 -3.296 -5.847 4.502 367 HB2 ALA 51 HB2 ALA 51 -4.230 -4.489 3.882 368 HB3 ALA 51 HB3 ALA 51 -5.028 -5.752 4.826 369 H LYS 52 H LYS 52 -4.041 -1.886 5.820 370 HA LYS 52 HA LYS 52 -6.777 -1.881 6.906 371 HB2 LYS 52 HB2 LYS 52 -6.296 0.535 7.455 372 HB3 LYS 52 HB3 LYS 52 -5.461 -0.648 8.439 373 HG2 LYS 52 HG2 LYS 52 -3.437 -0.255 7.224 374 HG3 LYS 52 HG3 LYS 52 -4.285 0.818 6.111 375 HD2 LYS 52 HD2 LYS 52 -3.060 2.128 7.743 376 HD3 LYS 52 HD3 LYS 52 -4.796 2.332 7.978 377 HE2 LYS 52 HE2 LYS 52 -4.784 0.840 9.827 378 HE3 LYS 52 HE3 LYS 52 -3.103 0.398 9.527 379 HZ1 LYS 52 HZ1 LYS 52 -4.079 3.077 10.359 380 HZ2 LYS 52 HZ2 LYS 52 -2.466 2.678 10.047 381 HZ3 LYS 52 HZ3 LYS 52 -3.277 1.962 11.345 382 H LEU 53 H LEU 53 -8.279 -0.492 6.043 383 HA LEU 53 HA LEU 53 -7.615 0.718 3.445 384 HB2 LEU 53 HB2 LEU 53 -9.141 -1.136 3.107 385 HB3 LEU 53 HB3 LEU 53 -10.202 -0.538 4.367 386 HG LEU 53 HG LEU 53 -10.134 1.601 2.681 387 HD11 LEU 53 HD11 LEU 53 -9.976 -0.915 1.027 388 HD12 LEU 53 HD12 LEU 53 -8.854 0.456 1.004 389 HD13 LEU 53 HD13 LEU 53 -10.514 0.661 0.430 390 HD21 LEU 53 HD21 LEU 53 -12.097 0.569 3.716 391 HD22 LEU 53 HD22 LEU 53 -12.008 -0.762 2.565 392 HD23 LEU 53 HD23 LEU 53 -12.356 0.871 1.998 393 H ILE 54 H ILE 54 -8.052 2.853 3.297 394 HA ILE 54 HA ILE 54 -8.979 4.067 5.797 395 HB ILE 54 HB ILE 54 -7.634 5.389 3.460 396 HG12 ILE 54 HG12 ILE 54 -6.056 3.853 4.385 397 HG13 ILE 54 HG13 ILE 54 -5.624 5.439 4.994 398 HG21 ILE 54 HG21 ILE 54 -7.236 7.234 5.032 399 HG22 ILE 54 HG22 ILE 54 -8.140 6.363 6.271 400 HG23 ILE 54 HG23 ILE 54 -8.957 6.920 4.810 401 HD11 ILE 54 HD11 ILE 54 -6.733 4.885 7.123 402 HD12 ILE 54 HD12 ILE 54 -5.408 3.786 6.737 403 HD13 ILE 54 HD13 ILE 54 -7.077 3.273 6.499 404 H ARG 55 H ARG 55 -10.929 4.826 5.931 405 HA ARG 55 HA ARG 55 -12.217 5.972 3.559 406 HB2 ARG 55 HB2 ARG 55 -13.876 4.488 5.551 407 HB3 ARG 55 HB3 ARG 55 -14.231 4.899 3.877 408 HG2 ARG 55 HG2 ARG 55 -12.697 3.187 3.109 409 HG3 ARG 55 HG3 ARG 55 -12.258 2.805 4.772 410 HD2 ARG 55 HD2 ARG 55 -15.027 2.568 3.609 411 HD3 ARG 55 HD3 ARG 55 -13.901 1.226 3.835 412 HE ARG 55 HE ARG 55 -14.352 2.676 6.257 413 HH11 ARG 55 HH11 ARG 55 -15.682 0.213 4.163 414 HH12 ARG 55 HH12 ARG 55 -16.598 -0.547 5.426 415 HH21 ARG 55 HH21 ARG 55 -15.552 1.691 7.923 416 HH22 ARG 55 HH22 ARG 55 -16.518 0.293 7.574 417 H ASP 56 H ASP 56 -14.176 7.301 4.262 418 HA ASP 56 HA ASP 56 -13.591 8.885 6.558 419 HB2 ASP 56 HB2 ASP 56 -14.969 9.821 4.769 420 HB3 ASP 56 HB3 ASP 56 -16.165 8.559 5.003 421 H LYS 57 H LYS 57 -15.488 8.979 8.387 422 HA LYS 57 HA LYS 57 -15.472 6.459 9.633 423 HB2 LYS 57 HB2 LYS 57 -17.472 7.668 10.959 424 HB3 LYS 57 HB3 LYS 57 -15.778 7.948 11.292 425 HG2 LYS 57 HG2 LYS 57 -16.899 10.044 11.236 426 HG3 LYS 57 HG3 LYS 57 -15.874 9.931 9.811 427 HD2 LYS 57 HD2 LYS 57 -17.739 9.497 8.398 428 HD3 LYS 57 HD3 LYS 57 -18.815 9.277 9.787 429 HE2 LYS 57 HE2 LYS 57 -17.445 11.850 9.001 430 HE3 LYS 57 HE3 LYS 57 -19.142 11.461 8.726 431 HZ1 LYS 57 HZ1 LYS 57 -18.918 12.828 10.675 432 HZ2 LYS 57 HZ2 LYS 57 -17.812 11.754 11.366 433 HZ3 LYS 57 HZ3 LYS 57 -19.421 11.282 11.146 434 H VAL 58 H VAL 58 -17.688 7.994 7.445 435 HA VAL 58 HA VAL 58 -19.375 5.615 7.417 436 HB VAL 58 HB VAL 58 -20.432 8.404 7.895 437 HG11 VAL 58 HG11 VAL 58 -22.638 7.340 8.032 438 HG12 VAL 58 HG12 VAL 58 -21.915 5.803 7.558 439 HG13 VAL 58 HG13 VAL 58 -21.910 7.164 6.436 440 HG21 VAL 58 HG21 VAL 58 -20.532 5.986 9.691 441 HG22 VAL 58 HG22 VAL 58 -21.192 7.583 10.041 442 HG23 VAL 58 HG23 VAL 58 -19.446 7.363 9.888 443 H ALA 59 H ALA 59 -19.299 8.949 6.174 444 HA ALA 59 HA ALA 59 -20.830 8.221 3.889 445 HB1 ALA 59 HB1 ALA 59 -20.823 10.569 3.388 446 HB2 ALA 59 HB2 ALA 59 -19.518 10.820 4.550 447 HB3 ALA 59 HB3 ALA 59 -21.120 10.329 5.113 448 H GLY 60 H GLY 60 -17.672 9.419 4.445 449 HA2 GLY 60 HA2 GLY 60 -16.895 10.076 1.866 450 HA3 GLY 60 HA3 GLY 60 -15.802 9.692 3.179 451 H HIS 61 H HIS 61 -17.338 6.938 3.041 452 HA HIS 61 HA HIS 61 -16.477 4.878 2.572 453 HB2 HIS 61 HB2 HIS 61 -16.464 4.286 0.197 454 HB3 HIS 61 HB3 HIS 61 -17.918 5.124 0.679 455 HD1 HIS 61 HD1 HIS 61 -18.693 6.586 -1.133 456 HD2 HIS 61 HD2 HIS 61 -14.544 6.438 -0.959 457 HE1 HIS 61 HE1 HIS 61 -17.891 8.022 -3.031 458 HE2 HIS 61 HE2 HIS 61 -15.384 8.045 -2.805 459 H SER 62 H SER 62 -14.769 3.874 0.621 460 HA SER 62 HA SER 62 -12.260 4.239 1.666 461 HB2 SER 62 HB2 SER 62 -12.790 2.417 0.100 462 HB3 SER 62 HB3 SER 62 -12.936 3.583 -1.214 463 HG SER 62 HG SER 62 -10.879 2.507 -1.112 464 H LEU 63 H LEU 63 -10.980 5.918 1.793 465 HA LEU 63 HA LEU 63 -11.557 8.269 0.231 466 HB2 LEU 63 HB2 LEU 63 -9.476 7.765 2.353 467 HB3 LEU 63 HB3 LEU 63 -9.790 9.321 1.613 468 HG LEU 63 HG LEU 63 -11.489 7.780 3.557 469 HD11 LEU 63 HD11 LEU 63 -11.561 9.921 4.695 470 HD12 LEU 63 HD12 LEU 63 -10.611 10.650 3.401 471 HD13 LEU 63 HD13 LEU 63 -9.902 9.394 4.415 472 HD21 LEU 63 HD21 LEU 63 -13.002 8.292 1.695 473 HD22 LEU 63 HD22 LEU 63 -12.485 9.987 1.750 474 HD23 LEU 63 HD23 LEU 63 -13.358 9.289 3.117 475 H GLY 64 H GLY 64 -10.009 5.586 -0.522 476 HA2 GLY 64 HA2 GLY 64 -9.094 5.342 -2.666 477 HA3 GLY 64 HA3 GLY 64 -8.584 7.022 -2.621 478 H TYR 65 H TYR 65 -7.867 5.014 0.122 479 HA TYR 65 HA TYR 65 -5.434 3.967 -0.881 480 HB2 TYR 65 HB2 TYR 65 -3.816 5.299 0.325 481 HB3 TYR 65 HB3 TYR 65 -4.763 6.342 -0.722 482 HD1 TYR 65 HD1 TYR 65 -3.445 5.887 2.480 483 HD2 TYR 65 HD2 TYR 65 -6.788 7.548 0.446 484 HE1 TYR 65 HE1 TYR 65 -3.864 7.368 4.385 485 HE2 TYR 65 HE2 TYR 65 -7.218 9.028 2.348 486 HH TYR 65 HH TYR 65 -4.961 9.377 4.958 487 H GLY 66 H GLY 66 -4.052 3.047 0.857 488 HA2 GLY 66 HA2 GLY 66 -5.239 2.541 3.425 489 HA3 GLY 66 HA3 GLY 66 -5.349 1.172 2.335 490 H PHE 67 H PHE 67 -3.977 0.442 4.357 491 HA PHE 67 HA PHE 67 -1.152 0.702 3.579 492 HB2 PHE 67 HB2 PHE 67 -2.161 1.046 6.411 493 HB3 PHE 67 HB3 PHE 67 -0.473 0.987 5.937 494 HD1 PHE 67 HD1 PHE 67 -3.521 2.984 6.005 495 HD2 PHE 67 HD2 PHE 67 0.569 2.883 4.835 496 HE1 PHE 67 HE1 PHE 67 -3.545 5.429 5.714 497 HE2 PHE 67 HE2 PHE 67 0.550 5.325 4.542 498 HZ PHE 67 HZ PHE 67 -1.508 6.602 4.982 499 H VAL 68 H VAL 68 -0.650 -1.355 3.083 500 HA VAL 68 HA VAL 68 -1.488 -3.416 4.968 501 HB VAL 68 HB VAL 68 -2.302 -4.432 3.186 502 HG11 VAL 68 HG11 VAL 68 -2.239 -2.417 1.906 503 HG12 VAL 68 HG12 VAL 68 -1.866 -3.808 0.883 504 HG13 VAL 68 HG13 VAL 68 -0.570 -2.740 1.428 505 HG21 VAL 68 HG21 VAL 68 -0.755 -5.754 1.782 506 HG22 VAL 68 HG22 VAL 68 -0.405 -5.885 3.504 507 HG23 VAL 68 HG23 VAL 68 0.597 -4.858 2.476 508 H ASN 69 H ASN 69 -0.034 -3.708 6.402 509 HA ASN 69 HA ASN 69 2.789 -3.527 5.919 510 HB2 ASN 69 HB2 ASN 69 1.621 -3.016 8.116 511 HB3 ASN 69 HB3 ASN 69 1.393 -4.744 8.293 512 HD21 ASN 69 HD21 ASN 69 2.657 -5.080 10.020 513 HD22 ASN 69 HD22 ASN 69 4.372 -4.833 10.033 514 H TYR 70 H TYR 70 3.976 -5.122 5.062 515 HA TYR 70 HA TYR 70 2.905 -7.824 5.025 516 HB2 TYR 70 HB2 TYR 70 5.190 -6.416 3.690 517 HB3 TYR 70 HB3 TYR 70 5.247 -8.160 3.852 518 HD1 TYR 70 HD1 TYR 70 4.012 -5.427 1.901 519 HD2 TYR 70 HD2 TYR 70 3.329 -9.511 2.883 520 HE1 TYR 70 HE1 TYR 70 2.691 -5.697 -0.142 521 HE2 TYR 70 HE2 TYR 70 2.006 -9.785 0.835 522 HH TYR 70 HH TYR 70 0.859 -8.573 -0.781 523 H VAL 71 H VAL 71 4.413 -9.616 5.550 524 HA VAL 71 HA VAL 71 5.637 -9.176 8.140 525 HB VAL 71 HB VAL 71 5.972 -11.581 8.198 526 HG11 VAL 71 HG11 VAL 71 3.628 -12.305 8.020 527 HG12 VAL 71 HG12 VAL 71 3.254 -10.832 7.122 528 HG13 VAL 71 HG13 VAL 71 3.774 -10.730 8.805 529 HG21 VAL 71 HG21 VAL 71 6.603 -11.931 5.864 530 HG22 VAL 71 HG22 VAL 71 4.946 -11.600 5.359 531 HG23 VAL 71 HG23 VAL 71 5.302 -13.022 6.339 532 H THR 72 H THR 72 6.534 -8.792 5.036 533 HA THR 72 HA THR 72 9.400 -9.073 5.585 534 HB THR 72 HB THR 72 9.470 -9.674 3.038 535 HG1 THR 72 HG1 THR 72 7.572 -11.098 2.604 536 HG21 THR 72 HG21 THR 72 8.648 -11.765 5.051 537 HG22 THR 72 HG22 THR 72 10.286 -11.145 4.821 538 HG23 THR 72 HG23 THR 72 9.493 -12.043 3.520 539 H ALA 73 H ALA 73 10.655 -7.481 4.589 540 HA ALA 73 HA ALA 73 9.273 -5.333 3.207 541 HB1 ALA 73 HB1 ALA 73 11.134 -4.769 4.710 542 HB2 ALA 73 HB2 ALA 73 11.480 -4.281 3.050 543 HB3 ALA 73 HB3 ALA 73 12.228 -5.733 3.714 544 H LYS 74 H LYS 74 10.738 -8.273 2.602 545 HA LYS 74 HA LYS 74 11.584 -7.996 -0.076 546 HB2 LYS 74 HB2 LYS 74 12.420 -9.812 1.171 547 HB3 LYS 74 HB3 LYS 74 10.818 -10.313 1.674 548 HG2 LYS 74 HG2 LYS 74 11.166 -10.367 -1.209 549 HG3 LYS 74 HG3 LYS 74 12.289 -11.422 -0.344 550 HD2 LYS 74 HD2 LYS 74 10.613 -12.719 0.534 551 HD3 LYS 74 HD3 LYS 74 9.416 -11.426 0.446 552 HE2 LYS 74 HE2 LYS 74 8.860 -13.056 -1.215 553 HE3 LYS 74 HE3 LYS 74 9.492 -11.625 -2.030 554 HZ1 LYS 74 HZ1 LYS 74 10.392 -13.665 -2.969 555 HZ2 LYS 74 HZ2 LYS 74 11.034 -14.097 -1.466 556 HZ3 LYS 74 HZ3 LYS 74 11.615 -12.730 -2.269 557 H ASP 75 H ASP 75 8.562 -9.360 1.276 558 HA ASP 75 HA ASP 75 7.352 -9.543 -1.320 559 HB2 ASP 75 HB2 ASP 75 6.206 -9.838 1.461 560 HB3 ASP 75 HB3 ASP 75 5.246 -10.023 -0.002 561 H ALA 76 H ALA 76 7.707 -7.055 0.994 562 HA ALA 76 HA ALA 76 5.541 -5.395 0.241 563 HB1 ALA 76 HB1 ALA 76 6.782 -4.905 2.249 564 HB2 ALA 76 HB2 ALA 76 6.979 -3.549 1.140 565 HB3 ALA 76 HB3 ALA 76 8.282 -4.721 1.338 566 H GLU 77 H GLU 77 8.956 -5.313 -0.764 567 HA GLU 77 HA GLU 77 8.693 -3.632 -2.991 568 HB2 GLU 77 HB2 GLU 77 10.876 -4.185 -2.206 569 HB3 GLU 77 HB3 GLU 77 10.568 -5.910 -2.329 570 HG2 GLU 77 HG2 GLU 77 10.467 -5.656 -4.794 571 HG3 GLU 77 HG3 GLU 77 10.950 -3.973 -4.598 572 H ARG 78 H ARG 78 8.094 -7.063 -2.566 573 HA ARG 78 HA ARG 78 7.925 -7.838 -5.253 574 HB2 ARG 78 HB2 ARG 78 8.139 -9.267 -3.186 575 HB3 ARG 78 HB3 ARG 78 6.426 -9.003 -2.922 576 HG2 ARG 78 HG2 ARG 78 5.905 -10.139 -4.990 577 HG3 ARG 78 HG3 ARG 78 7.628 -10.342 -5.332 578 HD2 ARG 78 HD2 ARG 78 7.863 -11.626 -3.248 579 HD3 ARG 78 HD3 ARG 78 6.136 -11.466 -2.964 580 HE ARG 78 HE ARG 78 6.653 -12.653 -5.491 581 HH11 ARG 78 HH11 ARG 78 6.522 -13.287 -2.041 582 HH12 ARG 78 HH12 ARG 78 6.313 -15.007 -2.249 583 HH21 ARG 78 HH21 ARG 78 6.369 -14.924 -5.747 584 HH22 ARG 78 HH22 ARG 78 6.226 -15.926 -4.338 585 H ALA 79 H ALA 79 5.567 -6.607 -2.942 586 HA ALA 79 HA ALA 79 3.347 -6.823 -4.687 587 HB1 ALA 79 HB1 ALA 79 2.230 -5.254 -3.058 588 HB2 ALA 79 HB2 ALA 79 3.760 -5.204 -2.169 589 HB3 ALA 79 HB3 ALA 79 2.893 -6.730 -2.348 590 H ILE 80 H ILE 80 5.767 -4.342 -4.120 591 HA ILE 80 HA ILE 80 4.396 -2.299 -5.509 592 HB ILE 80 HB ILE 80 7.355 -2.559 -5.194 593 HG12 ILE 80 HG12 ILE 80 5.290 -1.278 -3.390 594 HG13 ILE 80 HG13 ILE 80 6.178 -2.755 -3.040 595 HG21 ILE 80 HG21 ILE 80 7.361 -0.160 -5.427 596 HG22 ILE 80 HG22 ILE 80 5.596 -0.135 -5.537 597 HG23 ILE 80 HG23 ILE 80 6.551 -0.883 -6.823 598 HD11 ILE 80 HD11 ILE 80 7.384 -0.036 -3.394 599 HD12 ILE 80 HD12 ILE 80 8.245 -1.522 -2.993 600 HD13 ILE 80 HD13 ILE 80 7.080 -0.844 -1.857 601 H ASN 81 H ASN 81 6.664 -4.764 -6.654 602 HA ASN 81 HA ASN 81 6.628 -3.509 -9.255 603 HB2 ASN 81 HB2 ASN 81 7.995 -5.468 -9.974 604 HB3 ASN 81 HB3 ASN 81 8.683 -4.504 -8.667 605 HD21 ASN 81 HD21 ASN 81 9.393 -5.503 -6.975 606 HD22 ASN 81 HD22 ASN 81 9.074 -7.144 -6.550 607 H THR 82 H THR 82 5.021 -6.080 -7.626 608 HA THR 82 HA THR 82 3.915 -7.114 -10.088 609 HB THR 82 HB THR 82 3.847 -7.986 -7.239 610 HG1 THR 82 HG1 THR 82 5.652 -8.460 -8.672 611 HG21 THR 82 HG21 THR 82 1.628 -8.493 -7.957 612 HG22 THR 82 HG22 THR 82 2.552 -9.995 -8.030 613 HG23 THR 82 HG23 THR 82 2.209 -9.098 -9.511 614 H LEU 83 H LEU 83 2.595 -5.872 -7.003 615 HA LEU 83 HA LEU 83 -0.079 -5.925 -8.081 616 HB2 LEU 83 HB2 LEU 83 1.026 -5.250 -5.404 617 HB3 LEU 83 HB3 LEU 83 -0.674 -5.107 -5.767 618 HG LEU 83 HG LEU 83 0.999 -7.619 -5.699 619 HD11 LEU 83 HD11 LEU 83 -1.105 -6.404 -3.990 620 HD12 LEU 83 HD12 LEU 83 0.373 -7.251 -3.535 621 HD13 LEU 83 HD13 LEU 83 -1.029 -8.161 -4.116 622 HD21 LEU 83 HD21 LEU 83 -1.834 -7.262 -6.650 623 HD22 LEU 83 HD22 LEU 83 -1.111 -8.815 -6.235 624 HD23 LEU 83 HD23 LEU 83 -0.462 -7.869 -7.577 625 H ASN 84 H ASN 84 2.351 -3.503 -7.467 626 HA ASN 84 HA ASN 84 0.583 -1.295 -7.346 627 HB2 ASN 84 HB2 ASN 84 2.789 -1.040 -6.506 628 HB3 ASN 84 HB3 ASN 84 3.503 -1.557 -8.026 629 HD21 ASN 84 HD21 ASN 84 4.770 0.315 -7.857 630 HD22 ASN 84 HD22 ASN 84 4.158 1.846 -8.351 631 H GLY 85 H GLY 85 -0.719 -0.604 -8.830 632 HA2 GLY 85 HA2 GLY 85 -1.377 0.110 -10.973 633 HA3 GLY 85 HA3 GLY 85 -0.020 -0.760 -11.666 634 H LEU 86 H LEU 86 -2.100 -2.225 -9.294 635 HA LEU 86 HA LEU 86 -2.829 -4.292 -11.192 636 HB2 LEU 86 HB2 LEU 86 -2.287 -4.271 -8.484 637 HB3 LEU 86 HB3 LEU 86 -4.032 -4.397 -8.523 638 HG LEU 86 HG LEU 86 -2.967 -6.588 -8.336 639 HD11 LEU 86 HD11 LEU 86 -4.113 -7.718 -10.170 640 HD12 LEU 86 HD12 LEU 86 -4.304 -6.175 -11.003 641 HD13 LEU 86 HD13 LEU 86 -5.117 -6.452 -9.463 642 HD21 LEU 86 HD21 LEU 86 -1.541 -7.491 -9.985 643 HD22 LEU 86 HD22 LEU 86 -0.908 -5.888 -9.607 644 HD23 LEU 86 HD23 LEU 86 -1.836 -6.144 -11.083 645 H ARG 87 H ARG 87 -4.858 -4.670 -11.965 646 HA ARG 87 HA ARG 87 -6.816 -2.589 -11.642 647 HB2 ARG 87 HB2 ARG 87 -6.830 -5.170 -13.202 648 HB3 ARG 87 HB3 ARG 87 -8.196 -4.060 -13.162 649 HG2 ARG 87 HG2 ARG 87 -5.433 -3.277 -14.043 650 HG3 ARG 87 HG3 ARG 87 -6.704 -3.814 -15.145 651 HD2 ARG 87 HD2 ARG 87 -8.091 -1.954 -14.534 652 HD3 ARG 87 HD3 ARG 87 -6.972 -1.476 -13.260 653 HE ARG 87 HE ARG 87 -5.366 -1.251 -15.304 654 HH11 ARG 87 HH11 ARG 87 -8.762 -0.390 -15.220 655 HH12 ARG 87 HH12 ARG 87 -8.582 0.917 -16.343 656 HH21 ARG 87 HH21 ARG 87 -5.131 0.449 -16.777 657 HH22 ARG 87 HH22 ARG 87 -6.512 1.396 -17.235 658 H LEU 88 H LEU 88 -7.292 -2.692 -9.478 659 HA LEU 88 HA LEU 88 -8.626 -5.055 -8.429 660 HB2 LEU 88 HB2 LEU 88 -7.336 -2.686 -7.327 661 HB3 LEU 88 HB3 LEU 88 -8.871 -3.048 -6.561 662 HG LEU 88 HG LEU 88 -6.586 -5.000 -6.822 663 HD11 LEU 88 HD11 LEU 88 -7.537 -3.750 -4.281 664 HD12 LEU 88 HD12 LEU 88 -6.361 -2.916 -5.291 665 HD13 LEU 88 HD13 LEU 88 -5.988 -4.517 -4.639 666 HD21 LEU 88 HD21 LEU 88 -9.213 -5.108 -5.345 667 HD22 LEU 88 HD22 LEU 88 -7.917 -6.298 -5.200 668 HD23 LEU 88 HD23 LEU 88 -8.751 -6.086 -6.739 669 H GLN 89 H GLN 89 -10.676 -5.269 -9.039 670 HA GLN 89 HA GLN 89 -12.851 -4.815 -9.515 671 HB2 GLN 89 HB2 GLN 89 -12.373 -2.514 -7.660 672 HB3 GLN 89 HB3 GLN 89 -13.954 -3.104 -8.145 673 HG2 GLN 89 HG2 GLN 89 -13.378 -5.292 -7.104 674 HG3 GLN 89 HG3 GLN 89 -11.894 -4.554 -6.502 675 HE21 GLN 89 HE21 GLN 89 -13.178 -1.991 -6.056 676 HE22 GLN 89 HE22 GLN 89 -14.150 -2.170 -4.640 677 H SER 90 H SER 90 -10.854 -3.766 -11.213 678 HA SER 90 HA SER 90 -10.889 -2.732 -13.251 679 HB2 SER 90 HB2 SER 90 -13.451 -2.728 -12.909 680 HB3 SER 90 HB3 SER 90 -13.243 -1.043 -12.453 681 HG SER 90 HG SER 90 -11.880 -1.423 -14.689 682 H LYS 91 H LYS 91 -10.494 -1.435 -10.300 683 HA LYS 91 HA LYS 91 -9.647 1.224 -11.176 684 HB2 LYS 91 HB2 LYS 91 -10.815 1.269 -9.153 685 HB3 LYS 91 HB3 LYS 91 -9.991 -0.098 -8.515 686 HG2 LYS 91 HG2 LYS 91 -9.342 1.787 -7.319 687 HG3 LYS 91 HG3 LYS 91 -7.991 1.334 -8.344 688 HD2 LYS 91 HD2 LYS 91 -8.156 3.143 -9.571 689 HD3 LYS 91 HD3 LYS 91 -9.914 3.101 -9.602 690 HE2 LYS 91 HE2 LYS 91 -8.129 4.215 -7.460 691 HE3 LYS 91 HE3 LYS 91 -9.327 5.016 -8.451 692 HZ1 LYS 91 HZ1 LYS 91 -11.015 3.619 -7.372 693 HZ2 LYS 91 HZ2 LYS 91 -10.291 4.804 -6.407 694 HZ3 LYS 91 HZ3 LYS 91 -9.816 3.192 -6.249 695 H THR 92 H THR 92 -7.517 1.969 -10.862 696 HA THR 92 HA THR 92 -5.535 -0.202 -10.664 697 HB THR 92 HB THR 92 -4.517 2.345 -11.687 698 HG1 THR 92 HG1 THR 92 -6.795 1.819 -12.640 699 HG21 THR 92 HG21 THR 92 -3.446 0.820 -13.319 700 HG22 THR 92 HG22 THR 92 -4.351 -0.524 -12.622 701 HG23 THR 92 HG23 THR 92 -3.156 0.333 -11.649 702 H ILE 93 H ILE 93 -4.320 -0.247 -8.961 703 HA ILE 93 HA ILE 93 -4.427 1.986 -7.073 704 HB ILE 93 HB ILE 93 -3.880 0.303 -5.400 705 HG12 ILE 93 HG12 ILE 93 -3.779 -1.594 -7.763 706 HG13 ILE 93 HG13 ILE 93 -2.387 -1.041 -6.843 707 HG21 ILE 93 HG21 ILE 93 -5.973 -0.864 -5.464 708 HG22 ILE 93 HG22 ILE 93 -6.021 -0.804 -7.229 709 HG23 ILE 93 HG23 ILE 93 -6.248 0.676 -6.296 710 HD11 ILE 93 HD11 ILE 93 -2.916 -3.228 -6.138 711 HD12 ILE 93 HD12 ILE 93 -4.611 -2.810 -5.917 712 HD13 ILE 93 HD13 ILE 93 -3.391 -2.129 -4.843 713 H LYS 94 H LYS 94 -2.405 2.269 -5.687 714 HA LYS 94 HA LYS 94 0.030 1.505 -7.133 715 HB2 LYS 94 HB2 LYS 94 -0.445 3.825 -7.798 716 HB3 LYS 94 HB3 LYS 94 -0.473 4.307 -6.105 717 HG2 LYS 94 HG2 LYS 94 1.847 3.783 -5.848 718 HG3 LYS 94 HG3 LYS 94 1.913 3.083 -7.464 719 HD2 LYS 94 HD2 LYS 94 1.257 5.968 -6.898 720 HD3 LYS 94 HD3 LYS 94 2.870 5.379 -7.302 721 HE2 LYS 94 HE2 LYS 94 1.868 4.427 -9.408 722 HE3 LYS 94 HE3 LYS 94 0.396 5.315 -9.016 723 HZ1 LYS 94 HZ1 LYS 94 3.079 6.450 -9.563 724 HZ2 LYS 94 HZ2 LYS 94 1.777 7.359 -8.985 725 HZ3 LYS 94 HZ3 LYS 94 1.686 6.621 -10.503 726 H VAL 95 H VAL 95 1.160 0.335 -5.808 727 HA VAL 95 HA VAL 95 0.952 0.797 -2.929 728 HB VAL 95 HB VAL 95 0.979 -1.394 -2.626 729 HG11 VAL 95 HG11 VAL 95 0.350 -2.833 -4.475 730 HG12 VAL 95 HG12 VAL 95 0.890 -1.605 -5.616 731 HG13 VAL 95 HG13 VAL 95 -0.496 -1.279 -4.577 732 HG21 VAL 95 HG21 VAL 95 3.282 -1.658 -2.726 733 HG22 VAL 95 HG22 VAL 95 3.317 -1.400 -4.462 734 HG23 VAL 95 HG23 VAL 95 2.649 -2.897 -3.813 735 H SER 96 H SER 96 2.729 1.112 -1.675 736 HA SER 96 HA SER 96 5.427 1.031 -2.642 737 HB2 SER 96 HB2 SER 96 4.144 3.713 -2.009 738 HB3 SER 96 HB3 SER 96 5.869 3.451 -2.254 739 HG SER 96 HG SER 96 4.378 2.459 -4.309 740 H TYR 97 H TYR 97 6.927 1.598 -0.801 741 HA TYR 97 HA TYR 97 5.984 0.675 1.713 742 HB2 TYR 97 HB2 TYR 97 8.364 2.487 1.502 743 HB3 TYR 97 HB3 TYR 97 8.118 1.096 2.545 744 HD1 TYR 97 HD1 TYR 97 7.940 -1.234 1.249 745 HD2 TYR 97 HD2 TYR 97 9.734 2.292 -0.277 746 HE1 TYR 97 HE1 TYR 97 9.242 -2.586 -0.349 747 HE2 TYR 97 HE2 TYR 97 11.022 0.986 -1.880 748 HH TYR 97 HH TYR 97 11.856 -1.326 -2.129 749 H ALA 98 H ALA 98 4.688 1.699 3.061 750 HA ALA 98 HA ALA 98 4.083 4.475 2.781 751 HB1 ALA 98 HB1 ALA 98 2.516 4.182 4.512 752 HB2 ALA 98 HB2 ALA 98 3.396 2.810 5.190 753 HB3 ALA 98 HB3 ALA 98 2.531 2.634 3.662 754 H ARG 99 H ARG 99 5.446 5.985 3.347 755 HA ARG 99 HA ARG 99 7.921 5.553 4.439 756 HB2 ARG 99 HB2 ARG 99 7.144 7.510 3.091 757 HB3 ARG 99 HB3 ARG 99 6.383 8.145 4.541 758 HG2 ARG 99 HG2 ARG 99 8.572 8.266 5.627 759 HG3 ARG 99 HG3 ARG 99 9.325 7.654 4.153 760 HD2 ARG 99 HD2 ARG 99 9.483 10.097 4.311 761 HD3 ARG 99 HD3 ARG 99 8.535 9.586 2.915 762 HE ARG 99 HE ARG 99 6.738 10.002 4.977 763 HH11 ARG 99 HH11 ARG 99 9.063 11.929 3.205 764 HH12 ARG 99 HH12 ARG 99 8.156 13.396 3.371 765 HH21 ARG 99 HH21 ARG 99 5.554 11.926 5.203 766 HH22 ARG 99 HH22 ARG 99 6.149 13.393 4.492 767 HA PRO 100 HA PRO 100 6.736 5.408 8.796 768 HB2 PRO 100 HB2 PRO 100 9.028 3.840 9.348 769 HB3 PRO 100 HB3 PRO 100 7.372 3.276 9.162 770 HG2 PRO 100 HG2 PRO 100 9.481 2.682 7.446 771 HG3 PRO 100 HG3 PRO 100 7.760 2.489 7.076 772 HD2 PRO 100 HD2 PRO 100 9.629 4.683 6.320 773 HD3 PRO 100 HD3 PRO 100 8.286 3.976 5.400 774 H SER 101 H SER 101 7.189 7.271 9.755 775 HA SER 101 HA SER 101 9.326 7.775 11.235 776 HB2 SER 101 HB2 SER 101 10.495 8.001 9.015 777 HB3 SER 101 HB3 SER 101 9.590 9.491 8.783 778 HG SER 101 HG SER 101 11.853 9.167 10.096 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 14.550 21.209 -5.033 2 H2 GLY 1 H2 GLY 1 13.671 20.349 -3.875 3 H3 GLY 1 H3 GLY 1 13.323 21.978 -4.159 4 HA2 GLY 1 HA2 GLY 1 12.582 21.466 -6.395 5 HA3 GLY 1 HA3 GLY 1 12.950 19.773 -6.108 6 H HIS 2 H HIS 2 10.710 19.400 -6.652 7 HA HIS 2 HA HIS 2 9.038 19.606 -4.267 8 HB2 HIS 2 HB2 HIS 2 7.036 20.093 -5.730 9 HB3 HIS 2 HB3 HIS 2 8.175 21.413 -5.545 10 HD1 HIS 2 HD1 HIS 2 9.363 22.258 -7.647 11 HD2 HIS 2 HD2 HIS 2 6.897 18.984 -8.342 12 HE1 HIS 2 HE1 HIS 2 9.142 22.092 -10.148 13 HE2 HIS 2 HE2 HIS 2 7.733 20.043 -10.546 14 H MET 3 H MET 3 9.784 17.433 -4.056 15 HA MET 3 HA MET 3 9.141 15.466 -6.022 16 HB2 MET 3 HB2 MET 3 9.858 13.835 -4.314 17 HB3 MET 3 HB3 MET 3 11.034 15.115 -4.558 18 HG2 MET 3 HG2 MET 3 9.050 15.065 -2.298 19 HG3 MET 3 HG3 MET 3 10.694 14.439 -2.189 20 HE1 MET 3 HE1 MET 3 9.608 16.555 -0.141 21 HE2 MET 3 HE2 MET 3 10.951 17.695 -0.068 22 HE3 MET 3 HE3 MET 3 11.269 15.962 -0.129 23 H SER 4 H SER 4 7.367 14.298 -6.265 24 HA SER 4 HA SER 4 5.027 14.902 -4.734 25 HB2 SER 4 HB2 SER 4 5.410 12.696 -6.772 26 HB3 SER 4 HB3 SER 4 3.893 13.456 -6.287 27 HG SER 4 HG SER 4 5.079 15.473 -7.068 28 H ASN 5 H ASN 5 4.490 13.956 -2.847 29 HA ASN 5 HA ASN 5 5.604 11.298 -2.301 30 HB2 ASN 5 HB2 ASN 5 5.708 13.768 -0.685 31 HB3 ASN 5 HB3 ASN 5 5.378 12.277 0.193 32 HD21 ASN 5 HD21 ASN 5 7.161 11.953 -2.701 33 HD22 ASN 5 HD22 ASN 5 8.721 11.755 -1.976 34 H GLY 6 H GLY 6 4.467 10.309 -0.330 35 HA2 GLY 6 HA2 GLY 6 2.377 9.633 0.564 36 HA3 GLY 6 HA3 GLY 6 1.570 10.592 -0.672 37 H TYR 7 H TYR 7 4.003 9.147 -2.238 38 HA TYR 7 HA TYR 7 2.970 6.544 -2.650 39 HB2 TYR 7 HB2 TYR 7 2.466 7.091 -5.163 40 HB3 TYR 7 HB3 TYR 7 1.235 7.285 -3.925 41 HD1 TYR 7 HD1 TYR 7 4.006 9.684 -4.252 42 HD2 TYR 7 HD2 TYR 7 -0.048 8.831 -5.238 43 HE1 TYR 7 HE1 TYR 7 3.685 12.018 -4.983 44 HE2 TYR 7 HE2 TYR 7 -0.379 11.161 -5.952 45 HH TYR 7 HH TYR 7 2.063 13.237 -6.632 46 H GLU 8 H GLU 8 4.169 8.148 -5.501 47 HA GLU 8 HA GLU 8 6.305 6.226 -5.574 48 HB2 GLU 8 HB2 GLU 8 5.262 8.274 -7.482 49 HB3 GLU 8 HB3 GLU 8 6.823 7.529 -7.777 50 HG2 GLU 8 HG2 GLU 8 5.770 5.325 -7.730 51 HG3 GLU 8 HG3 GLU 8 4.211 6.102 -7.490 52 H ASP 9 H ASP 9 8.210 7.458 -6.996 53 HA ASP 9 HA ASP 9 10.036 8.780 -7.027 54 HB2 ASP 9 HB2 ASP 9 8.576 10.676 -6.274 55 HB3 ASP 9 HB3 ASP 9 9.018 10.265 -4.618 56 H HIS 10 H HIS 10 9.116 8.207 -3.723 57 HA HIS 10 HA HIS 10 11.821 7.352 -3.068 58 HB2 HIS 10 HB2 HIS 10 10.904 7.089 -0.743 59 HB3 HIS 10 HB3 HIS 10 10.792 8.718 -1.389 60 HD1 HIS 10 HD1 HIS 10 8.511 9.735 -1.606 61 HD2 HIS 10 HD2 HIS 10 8.407 5.691 -0.625 62 HE1 HIS 10 HE1 HIS 10 6.096 9.231 -1.139 63 HE2 HIS 10 HE2 HIS 10 6.115 6.855 -0.253 64 H MET 11 H MET 11 9.843 5.825 -4.806 65 HA MET 11 HA MET 11 9.684 3.341 -3.293 66 HB2 MET 11 HB2 MET 11 8.537 2.505 -5.437 67 HB3 MET 11 HB3 MET 11 7.668 3.644 -4.420 68 HG2 MET 11 HG2 MET 11 7.363 4.263 -6.693 69 HG3 MET 11 HG3 MET 11 8.392 5.466 -5.924 70 HE1 MET 11 HE1 MET 11 8.341 5.887 -8.674 71 HE2 MET 11 HE2 MET 11 9.953 5.676 -9.366 72 HE3 MET 11 HE3 MET 11 9.753 6.541 -7.842 73 H ALA 12 H ALA 12 12.119 4.681 -4.329 74 HA ALA 12 HA ALA 12 13.324 2.291 -5.496 75 HB1 ALA 12 HB1 ALA 12 12.873 3.829 -7.360 76 HB2 ALA 12 HB2 ALA 12 14.604 3.622 -7.089 77 HB3 ALA 12 HB3 ALA 12 13.794 5.087 -6.536 78 H GLU 13 H GLU 13 14.241 5.611 -4.549 79 HA GLU 13 HA GLU 13 15.660 4.682 -2.245 80 HB2 GLU 13 HB2 GLU 13 17.876 5.634 -3.008 81 HB3 GLU 13 HB3 GLU 13 17.396 4.119 -3.758 82 HG2 GLU 13 HG2 GLU 13 16.670 5.322 -5.748 83 HG3 GLU 13 HG3 GLU 13 17.120 6.851 -4.995 84 H ASP 14 H ASP 14 14.422 6.150 -1.100 85 HA ASP 14 HA ASP 14 15.464 8.660 -0.710 86 HB2 ASP 14 HB2 ASP 14 14.306 9.125 -2.915 87 HB3 ASP 14 HB3 ASP 14 12.783 8.817 -2.087 88 H CYS 15 H CYS 15 14.500 9.749 1.057 89 HA CYS 15 HA CYS 15 13.369 9.957 3.006 90 HB2 CYS 15 HB2 CYS 15 11.350 8.294 1.519 91 HB3 CYS 15 HB3 CYS 15 11.046 9.048 3.083 92 HG CYS 15 HG CYS 15 11.854 10.803 0.254 93 H ARG 16 H ARG 16 11.949 8.363 4.610 94 HA ARG 16 HA ARG 16 13.825 6.310 5.368 95 HB2 ARG 16 HB2 ARG 16 11.217 7.214 6.607 96 HB3 ARG 16 HB3 ARG 16 12.244 5.963 7.286 97 HG2 ARG 16 HG2 ARG 16 12.697 7.938 8.481 98 HG3 ARG 16 HG3 ARG 16 14.075 7.681 7.413 99 HD2 ARG 16 HD2 ARG 16 13.404 10.030 7.442 100 HD3 ARG 16 HD3 ARG 16 13.165 9.318 5.846 101 HE ARG 16 HE ARG 16 10.820 9.251 7.514 102 HH11 ARG 16 HH11 ARG 16 12.671 11.163 5.235 103 HH12 ARG 16 HH12 ARG 16 11.311 12.116 4.733 104 HH21 ARG 16 HH21 ARG 16 9.023 10.500 6.854 105 HH22 ARG 16 HH22 ARG 16 9.238 11.746 5.665 106 H GLY 17 H GLY 17 13.021 5.532 2.999 107 HA2 GLY 17 HA2 GLY 17 10.929 3.510 3.512 108 HA3 GLY 17 HA3 GLY 17 11.065 4.364 1.981 109 H ASP 18 H ASP 18 13.832 3.220 3.819 110 HA ASP 18 HA ASP 18 14.128 0.888 2.112 111 HB2 ASP 18 HB2 ASP 18 15.089 2.846 0.834 112 HB3 ASP 18 HB3 ASP 18 16.286 3.005 2.114 113 H ILE 19 H ILE 19 13.818 1.541 4.955 114 HA ILE 19 HA ILE 19 16.361 0.655 6.087 115 HB ILE 19 HB ILE 19 14.347 0.958 8.084 116 HG12 ILE 19 HG12 ILE 19 14.547 3.642 7.378 117 HG13 ILE 19 HG13 ILE 19 14.143 2.828 5.877 118 HG21 ILE 19 HG21 ILE 19 15.927 2.593 8.963 119 HG22 ILE 19 HG22 ILE 19 16.795 2.581 7.428 120 HG23 ILE 19 HG23 ILE 19 16.749 1.129 8.427 121 HD11 ILE 19 HD11 ILE 19 12.155 3.592 7.066 122 HD12 ILE 19 HD12 ILE 19 12.596 2.583 8.444 123 HD13 ILE 19 HD13 ILE 19 12.189 1.837 6.896 124 H GLY 20 H GLY 20 13.033 0.018 6.999 125 HA2 GLY 20 HA2 GLY 20 13.264 -2.819 6.373 126 HA3 GLY 20 HA3 GLY 20 13.022 -2.410 8.069 127 H ARG 21 H ARG 21 11.778 -0.846 5.193 128 HA ARG 21 HA ARG 21 9.266 -0.412 6.410 129 HB2 ARG 21 HB2 ARG 21 8.767 0.243 3.851 130 HB3 ARG 21 HB3 ARG 21 9.563 1.303 5.003 131 HG2 ARG 21 HG2 ARG 21 10.790 1.348 2.969 132 HG3 ARG 21 HG3 ARG 21 11.742 0.484 4.172 133 HD2 ARG 21 HD2 ARG 21 11.245 -1.618 3.176 134 HD3 ARG 21 HD3 ARG 21 10.000 -0.910 2.150 135 HE ARG 21 HE ARG 21 12.248 0.403 1.391 136 HH11 ARG 21 HH11 ARG 21 11.431 -2.991 1.691 137 HH12 ARG 21 HH12 ARG 21 12.497 -3.493 0.420 138 HH21 ARG 21 HH21 ARG 21 13.642 -0.262 -0.302 139 HH22 ARG 21 HH22 ARG 21 13.752 -1.947 -0.708 140 H THR 22 H THR 22 8.040 -2.103 6.837 141 HA THR 22 HA THR 22 7.400 -3.990 4.677 142 HB THR 22 HB THR 22 6.317 -5.310 6.492 143 HG1 THR 22 HG1 THR 22 5.801 -3.666 7.960 144 HG21 THR 22 HG21 THR 22 8.657 -5.744 5.927 145 HG22 THR 22 HG22 THR 22 8.386 -5.960 7.657 146 HG23 THR 22 HG23 THR 22 9.171 -4.496 7.062 147 H ASN 23 H ASN 23 6.214 -1.318 6.435 148 HA ASN 23 HA ASN 23 3.399 -1.837 6.100 149 HB2 ASN 23 HB2 ASN 23 4.648 -0.331 7.859 150 HB3 ASN 23 HB3 ASN 23 4.562 0.887 6.586 151 HD21 ASN 23 HD21 ASN 23 1.965 -0.081 5.601 152 HD22 ASN 23 HD22 ASN 23 0.803 0.437 6.769 153 H LEU 24 H LEU 24 2.433 -1.674 4.177 154 HA LEU 24 HA LEU 24 3.506 0.278 2.267 155 HB2 LEU 24 HB2 LEU 24 2.653 -2.442 2.012 156 HB3 LEU 24 HB3 LEU 24 1.629 -1.425 1.014 157 HG LEU 24 HG LEU 24 3.517 -0.621 -0.230 158 HD11 LEU 24 HD11 LEU 24 5.153 -0.436 1.545 159 HD12 LEU 24 HD12 LEU 24 5.795 -1.421 0.232 160 HD13 LEU 24 HD13 LEU 24 5.210 -2.191 1.706 161 HD21 LEU 24 HD21 LEU 24 4.265 -2.654 -1.256 162 HD22 LEU 24 HD22 LEU 24 2.565 -2.811 -0.819 163 HD23 LEU 24 HD23 LEU 24 3.804 -3.581 0.170 164 H ILE 25 H ILE 25 2.452 2.017 1.903 165 HA ILE 25 HA ILE 25 -0.350 2.265 2.650 166 HB ILE 25 HB ILE 25 1.270 4.092 3.184 167 HG12 ILE 25 HG12 ILE 25 -1.034 4.756 1.351 168 HG13 ILE 25 HG13 ILE 25 -1.091 4.518 3.096 169 HG21 ILE 25 HG21 ILE 25 2.027 5.590 1.418 170 HG22 ILE 25 HG22 ILE 25 1.325 4.520 0.203 171 HG23 ILE 25 HG23 ILE 25 2.666 3.959 1.205 172 HD11 ILE 25 HD11 ILE 25 0.293 6.501 3.406 173 HD12 ILE 25 HD12 ILE 25 -1.208 6.861 2.552 174 HD13 ILE 25 HD13 ILE 25 0.312 6.753 1.660 175 H VAL 26 H VAL 26 -1.955 2.114 1.184 176 HA VAL 26 HA VAL 26 -1.139 1.995 -1.651 177 HB VAL 26 HB VAL 26 -3.372 0.366 -0.449 178 HG11 VAL 26 HG11 VAL 26 -3.182 -0.881 -2.547 179 HG12 VAL 26 HG12 VAL 26 -1.890 0.198 -3.075 180 HG13 VAL 26 HG13 VAL 26 -3.524 0.822 -2.853 181 HG21 VAL 26 HG21 VAL 26 -1.262 -0.302 0.554 182 HG22 VAL 26 HG22 VAL 26 -0.533 -0.434 -1.047 183 HG23 VAL 26 HG23 VAL 26 -1.829 -1.532 -0.577 184 H ASN 27 H ASN 27 -1.891 3.705 -2.606 185 HA ASN 27 HA ASN 27 -4.464 4.834 -1.791 186 HB2 ASN 27 HB2 ASN 27 -2.020 5.926 -2.956 187 HB3 ASN 27 HB3 ASN 27 -3.466 6.437 -3.822 188 HD21 ASN 27 HD21 ASN 27 -1.704 6.581 -0.873 189 HD22 ASN 27 HD22 ASN 27 -2.631 7.835 -0.134 190 H TYR 28 H TYR 28 -5.629 5.813 -3.775 191 HA TYR 28 HA TYR 28 -6.865 5.459 -5.674 192 HB2 TYR 28 HB2 TYR 28 -4.404 3.902 -6.491 193 HB3 TYR 28 HB3 TYR 28 -5.688 4.397 -7.582 194 HD1 TYR 28 HD1 TYR 28 -5.924 6.763 -8.216 195 HD2 TYR 28 HD2 TYR 28 -2.802 5.447 -5.663 196 HE1 TYR 28 HE1 TYR 28 -4.725 8.882 -8.597 197 HE2 TYR 28 HE2 TYR 28 -1.588 7.538 -6.027 198 HH TYR 28 HH TYR 28 -3.023 10.265 -7.450 199 H LEU 29 H LEU 29 -7.075 3.624 -3.404 200 HA LEU 29 HA LEU 29 -7.707 1.024 -4.469 201 HB2 LEU 29 HB2 LEU 29 -8.574 2.372 -1.898 202 HB3 LEU 29 HB3 LEU 29 -8.864 0.692 -2.294 203 HG LEU 29 HG LEU 29 -6.246 2.026 -1.662 204 HD11 LEU 29 HD11 LEU 29 -7.657 1.203 0.194 205 HD12 LEU 29 HD12 LEU 29 -6.125 0.339 0.060 206 HD13 LEU 29 HD13 LEU 29 -7.612 -0.411 -0.527 207 HD21 LEU 29 HD21 LEU 29 -5.828 0.667 -3.602 208 HD22 LEU 29 HD22 LEU 29 -6.702 -0.688 -2.885 209 HD23 LEU 29 HD23 LEU 29 -5.184 -0.141 -2.173 210 HA PRO 30 HA PRO 30 -11.810 1.728 -6.064 211 HB2 PRO 30 HB2 PRO 30 -12.608 -0.671 -4.542 212 HB3 PRO 30 HB3 PRO 30 -12.748 -0.338 -6.266 213 HG2 PRO 30 HG2 PRO 30 -10.923 -2.050 -5.253 214 HG3 PRO 30 HG3 PRO 30 -10.644 -1.105 -6.723 215 HD2 PRO 30 HD2 PRO 30 -9.519 -0.761 -4.009 216 HD3 PRO 30 HD3 PRO 30 -8.831 -0.318 -5.583 217 H GLN 31 H GLN 31 -13.664 2.658 -5.328 218 HA GLN 31 HA GLN 31 -13.520 3.660 -2.647 219 HB2 GLN 31 HB2 GLN 31 -15.573 4.136 -4.804 220 HB3 GLN 31 HB3 GLN 31 -15.384 5.083 -3.332 221 HG2 GLN 31 HG2 GLN 31 -13.237 4.786 -5.423 222 HG3 GLN 31 HG3 GLN 31 -14.398 6.118 -5.379 223 HE21 GLN 31 HE21 GLN 31 -11.591 4.703 -3.949 224 HE22 GLN 31 HE22 GLN 31 -11.201 6.026 -2.907 225 H ASN 32 H ASN 32 -14.918 0.977 -4.078 226 HA ASN 32 HA ASN 32 -16.912 0.680 -1.927 227 HB2 ASN 32 HB2 ASN 32 -18.041 -0.918 -3.368 228 HB3 ASN 32 HB3 ASN 32 -17.805 0.586 -4.249 229 HD21 ASN 32 HD21 ASN 32 -18.183 -2.197 -5.165 230 HD22 ASN 32 HD22 ASN 32 -16.837 -2.531 -6.195 231 H MET 33 H MET 33 -13.890 0.074 -2.240 232 HA MET 33 HA MET 33 -13.572 -2.739 -2.281 233 HB2 MET 33 HB2 MET 33 -11.798 -1.246 -2.942 234 HB3 MET 33 HB3 MET 33 -11.752 -0.535 -1.335 235 HG2 MET 33 HG2 MET 33 -11.124 -2.747 -0.444 236 HG3 MET 33 HG3 MET 33 -11.031 -3.343 -2.101 237 HE1 MET 33 HE1 MET 33 -9.461 -2.765 -3.742 238 HE2 MET 33 HE2 MET 33 -8.618 -3.869 -2.651 239 HE3 MET 33 HE3 MET 33 -7.773 -2.459 -3.314 240 H THR 34 H THR 34 -12.493 -3.981 -0.567 241 HA THR 34 HA THR 34 -13.352 -3.253 2.157 242 HB THR 34 HB THR 34 -13.920 -5.505 2.629 243 HG1 THR 34 HG1 THR 34 -13.407 -7.184 1.036 244 HG21 THR 34 HG21 THR 34 -15.556 -4.399 1.160 245 HG22 THR 34 HG22 THR 34 -15.504 -6.141 0.874 246 HG23 THR 34 HG23 THR 34 -14.699 -5.034 -0.252 247 H GLN 35 H GLN 35 -11.889 -4.169 3.861 248 HA GLN 35 HA GLN 35 -9.165 -3.960 3.411 249 HB2 GLN 35 HB2 GLN 35 -10.529 -5.809 5.372 250 HB3 GLN 35 HB3 GLN 35 -8.815 -5.426 5.383 251 HG2 GLN 35 HG2 GLN 35 -9.773 -4.111 7.051 252 HG3 GLN 35 HG3 GLN 35 -9.487 -3.029 5.696 253 HE21 GLN 35 HE21 GLN 35 -12.129 -5.315 5.706 254 HE22 GLN 35 HE22 GLN 35 -13.389 -4.137 5.883 255 H ASP 36 H ASP 36 -11.238 -6.776 3.236 256 HA ASP 36 HA ASP 36 -9.272 -8.727 2.938 257 HB2 ASP 36 HB2 ASP 36 -11.672 -9.124 3.468 258 HB3 ASP 36 HB3 ASP 36 -12.071 -8.745 1.799 259 H GLU 37 H GLU 37 -10.835 -6.690 0.485 260 HA GLU 37 HA GLU 37 -9.702 -8.094 -1.728 261 HB2 GLU 37 HB2 GLU 37 -10.683 -5.232 -1.570 262 HB3 GLU 37 HB3 GLU 37 -10.377 -6.129 -3.047 263 HG2 GLU 37 HG2 GLU 37 -12.448 -6.855 -0.990 264 HG3 GLU 37 HG3 GLU 37 -12.773 -5.962 -2.472 265 H LEU 38 H LEU 38 -8.870 -5.138 0.013 266 HA LEU 38 HA LEU 38 -6.506 -4.515 -1.394 267 HB2 LEU 38 HB2 LEU 38 -7.790 -2.948 -0.000 268 HB3 LEU 38 HB3 LEU 38 -7.427 -3.881 1.427 269 HG LEU 38 HG LEU 38 -6.145 -1.655 0.894 270 HD11 LEU 38 HD11 LEU 38 -5.799 -3.161 2.816 271 HD12 LEU 38 HD12 LEU 38 -4.321 -2.396 2.227 272 HD13 LEU 38 HD13 LEU 38 -4.654 -4.083 1.833 273 HD21 LEU 38 HD21 LEU 38 -5.408 -2.291 -1.322 274 HD22 LEU 38 HD22 LEU 38 -4.564 -3.688 -0.653 275 HD23 LEU 38 HD23 LEU 38 -4.026 -2.056 -0.250 276 H ARG 39 H ARG 39 -7.249 -6.646 1.224 277 HA ARG 39 HA ARG 39 -4.535 -7.134 1.991 278 HB2 ARG 39 HB2 ARG 39 -6.647 -7.225 3.442 279 HB3 ARG 39 HB3 ARG 39 -6.959 -8.778 2.710 280 HG2 ARG 39 HG2 ARG 39 -4.439 -8.148 4.201 281 HG3 ARG 39 HG3 ARG 39 -5.873 -8.817 4.964 282 HD2 ARG 39 HD2 ARG 39 -5.774 -10.707 3.366 283 HD3 ARG 39 HD3 ARG 39 -4.244 -10.061 2.768 284 HE ARG 39 HE ARG 39 -3.659 -10.292 5.329 285 HH11 ARG 39 HH11 ARG 39 -5.427 -12.532 3.303 286 HH12 ARG 39 HH12 ARG 39 -4.858 -13.938 4.143 287 HH21 ARG 39 HH21 ARG 39 -2.923 -12.143 6.448 288 HH22 ARG 39 HH22 ARG 39 -3.456 -13.715 5.940 289 H SER 40 H SER 40 -6.995 -8.852 0.040 290 HA SER 40 HA SER 40 -5.471 -11.256 -0.165 291 HB2 SER 40 HB2 SER 40 -7.760 -10.257 -1.870 292 HB3 SER 40 HB3 SER 40 -7.106 -11.893 -1.910 293 HG SER 40 HG SER 40 -8.639 -10.617 0.052 294 H LEU 41 H LEU 41 -5.803 -8.421 -2.217 295 HA LEU 41 HA LEU 41 -4.370 -9.393 -4.447 296 HB2 LEU 41 HB2 LEU 41 -5.919 -7.359 -4.188 297 HB3 LEU 41 HB3 LEU 41 -4.516 -6.538 -3.551 298 HG LEU 41 HG LEU 41 -5.272 -6.486 -6.134 299 HD11 LEU 41 HD11 LEU 41 -3.123 -5.540 -6.602 300 HD12 LEU 41 HD12 LEU 41 -2.434 -6.328 -5.183 301 HD13 LEU 41 HD13 LEU 41 -3.636 -5.055 -4.986 302 HD21 LEU 41 HD21 LEU 41 -3.134 -8.605 -5.966 303 HD22 LEU 41 HD22 LEU 41 -3.716 -7.835 -7.444 304 HD23 LEU 41 HD23 LEU 41 -4.800 -8.851 -6.495 305 H PHE 42 H PHE 42 -3.375 -7.638 -1.558 306 HA PHE 42 HA PHE 42 -0.630 -7.664 -2.373 307 HB2 PHE 42 HB2 PHE 42 -2.037 -6.869 0.165 308 HB3 PHE 42 HB3 PHE 42 -0.275 -6.921 0.063 309 HD1 PHE 42 HD1 PHE 42 0.841 -5.003 -0.593 310 HD2 PHE 42 HD2 PHE 42 -3.204 -5.588 -1.831 311 HE1 PHE 42 HE1 PHE 42 0.849 -2.796 -1.713 312 HE2 PHE 42 HE2 PHE 42 -3.174 -3.403 -2.941 313 HZ PHE 42 HZ PHE 42 -1.147 -2.028 -2.876 314 H SER 43 H SER 43 -2.740 -9.755 -0.611 315 HA SER 43 HA SER 43 -0.719 -11.457 0.434 316 HB2 SER 43 HB2 SER 43 -3.017 -11.440 1.307 317 HB3 SER 43 HB3 SER 43 -3.592 -12.061 -0.233 318 HG SER 43 HG SER 43 -1.665 -13.415 1.343 319 H SER 44 H SER 44 -2.075 -10.943 -2.666 320 HA SER 44 HA SER 44 -1.370 -13.443 -3.814 321 HB2 SER 44 HB2 SER 44 -3.045 -12.242 -4.944 322 HB3 SER 44 HB3 SER 44 -2.108 -10.750 -4.969 323 HG SER 44 HG SER 44 -1.384 -13.138 -6.348 324 H ILE 45 H ILE 45 0.283 -10.427 -3.241 325 HA ILE 45 HA ILE 45 2.684 -11.086 -4.611 326 HB ILE 45 HB ILE 45 2.046 -9.193 -2.358 327 HG12 ILE 45 HG12 ILE 45 1.485 -8.781 -4.829 328 HG13 ILE 45 HG13 ILE 45 2.345 -7.502 -3.972 329 HG21 ILE 45 HG21 ILE 45 4.782 -9.720 -3.524 330 HG22 ILE 45 HG22 ILE 45 4.283 -9.954 -1.850 331 HG23 ILE 45 HG23 ILE 45 4.374 -8.323 -2.525 332 HD11 ILE 45 HD11 ILE 45 3.680 -9.569 -5.680 333 HD12 ILE 45 HD12 ILE 45 4.397 -8.118 -4.972 334 HD13 ILE 45 HD13 ILE 45 3.179 -7.979 -6.243 335 H GLY 46 H GLY 46 1.578 -11.527 -1.273 336 HA2 GLY 46 HA2 GLY 46 2.956 -13.895 -0.807 337 HA3 GLY 46 HA3 GLY 46 4.020 -12.585 -0.312 338 H GLU 47 H GLU 47 3.976 -12.945 1.861 339 HA GLU 47 HA GLU 47 1.445 -13.332 3.191 340 HB2 GLU 47 HB2 GLU 47 4.267 -13.713 3.852 341 HB3 GLU 47 HB3 GLU 47 3.309 -13.086 5.184 342 HG2 GLU 47 HG2 GLU 47 1.837 -14.936 5.100 343 HG3 GLU 47 HG3 GLU 47 2.566 -15.524 3.603 344 H VAL 48 H VAL 48 0.222 -11.773 3.710 345 HA VAL 48 HA VAL 48 1.314 -9.135 4.344 346 HB VAL 48 HB VAL 48 -1.552 -10.043 3.990 347 HG11 VAL 48 HG11 VAL 48 -1.617 -8.213 5.474 348 HG12 VAL 48 HG12 VAL 48 -1.971 -7.549 3.878 349 HG13 VAL 48 HG13 VAL 48 -0.364 -7.350 4.583 350 HG21 VAL 48 HG21 VAL 48 -1.464 -8.893 1.879 351 HG22 VAL 48 HG22 VAL 48 -0.164 -10.091 1.960 352 HG23 VAL 48 HG23 VAL 48 0.194 -8.379 2.197 353 H GLU 49 H GLU 49 1.556 -8.439 6.246 354 HA GLU 49 HA GLU 49 1.075 -10.162 8.456 355 HB2 GLU 49 HB2 GLU 49 3.122 -8.871 8.225 356 HB3 GLU 49 HB3 GLU 49 2.193 -7.377 8.337 357 HG2 GLU 49 HG2 GLU 49 1.521 -7.932 10.576 358 HG3 GLU 49 HG3 GLU 49 2.297 -9.507 10.451 359 H SER 50 H SER 50 -0.081 -6.988 7.352 360 HA SER 50 HA SER 50 -2.692 -7.523 8.408 361 HB2 SER 50 HB2 SER 50 -2.748 -5.492 9.895 362 HB3 SER 50 HB3 SER 50 -1.738 -6.806 10.497 363 HG SER 50 HG SER 50 -0.070 -5.543 10.377 364 H ALA 51 H ALA 51 -4.147 -6.550 7.088 365 HA ALA 51 HA ALA 51 -3.206 -4.195 5.604 366 HB1 ALA 51 HB1 ALA 51 -3.392 -6.212 4.172 367 HB2 ALA 51 HB2 ALA 51 -4.402 -4.863 3.661 368 HB3 ALA 51 HB3 ALA 51 -5.127 -6.238 4.505 369 H LYS 52 H LYS 52 -4.242 -2.441 5.982 370 HA LYS 52 HA LYS 52 -6.900 -2.577 7.228 371 HB2 LYS 52 HB2 LYS 52 -5.110 -1.583 8.584 372 HB3 LYS 52 HB3 LYS 52 -4.760 -0.441 7.295 373 HG2 LYS 52 HG2 LYS 52 -7.240 0.261 7.606 374 HG3 LYS 52 HG3 LYS 52 -7.056 -0.512 9.185 375 HD2 LYS 52 HD2 LYS 52 -5.158 1.550 8.114 376 HD3 LYS 52 HD3 LYS 52 -6.547 1.951 9.129 377 HE2 LYS 52 HE2 LYS 52 -4.312 0.081 9.891 378 HE3 LYS 52 HE3 LYS 52 -4.420 1.771 10.381 379 HZ1 LYS 52 HZ1 LYS 52 -6.526 1.247 11.492 380 HZ2 LYS 52 HZ2 LYS 52 -5.238 0.350 12.122 381 HZ3 LYS 52 HZ3 LYS 52 -6.343 -0.383 11.079 382 H LEU 53 H LEU 53 -8.576 -1.613 6.243 383 HA LEU 53 HA LEU 53 -8.061 -0.047 3.804 384 HB2 LEU 53 HB2 LEU 53 -9.373 -1.996 3.326 385 HB3 LEU 53 HB3 LEU 53 -10.440 -1.683 4.678 386 HG LEU 53 HG LEU 53 -10.736 0.599 3.194 387 HD11 LEU 53 HD11 LEU 53 -10.490 -1.718 1.285 388 HD12 LEU 53 HD12 LEU 53 -9.375 -0.352 1.391 389 HD13 LEU 53 HD13 LEU 53 -11.047 -0.088 0.890 390 HD21 LEU 53 HD21 LEU 53 -12.302 -1.977 3.052 391 HD22 LEU 53 HD22 LEU 53 -12.883 -0.408 2.496 392 HD23 LEU 53 HD23 LEU 53 -12.534 -0.664 4.207 393 H ILE 54 H ILE 54 -8.942 1.979 3.643 394 HA ILE 54 HA ILE 54 -10.041 3.040 6.154 395 HB ILE 54 HB ILE 54 -8.761 4.599 3.927 396 HG12 ILE 54 HG12 ILE 54 -7.092 3.077 4.815 397 HG13 ILE 54 HG13 ILE 54 -6.740 4.710 5.366 398 HG21 ILE 54 HG21 ILE 54 -9.358 5.307 6.799 399 HG22 ILE 54 HG22 ILE 54 -10.246 5.869 5.383 400 HG23 ILE 54 HG23 ILE 54 -8.568 6.357 5.623 401 HD11 ILE 54 HD11 ILE 54 -6.395 3.027 7.104 402 HD12 ILE 54 HD12 ILE 54 -8.095 2.574 6.993 403 HD13 ILE 54 HD13 ILE 54 -7.648 4.188 7.546 404 H ARG 55 H ARG 55 -12.131 3.521 6.125 405 HA ARG 55 HA ARG 55 -13.265 4.587 3.631 406 HB2 ARG 55 HB2 ARG 55 -14.822 2.986 5.662 407 HB3 ARG 55 HB3 ARG 55 -15.378 3.557 4.095 408 HG2 ARG 55 HG2 ARG 55 -13.512 2.083 3.128 409 HG3 ARG 55 HG3 ARG 55 -13.495 1.325 4.718 410 HD2 ARG 55 HD2 ARG 55 -15.866 1.555 2.869 411 HD3 ARG 55 HD3 ARG 55 -14.944 0.091 3.211 412 HE ARG 55 HE ARG 55 -15.964 1.219 5.606 413 HH11 ARG 55 HH11 ARG 55 -16.922 -0.613 2.790 414 HH12 ARG 55 HH12 ARG 55 -18.266 -1.371 3.580 415 HH21 ARG 55 HH21 ARG 55 -17.723 0.236 6.653 416 HH22 ARG 55 HH22 ARG 55 -18.725 -0.885 5.784 417 H ASP 56 H ASP 56 -15.132 6.016 3.998 418 HA ASP 56 HA ASP 56 -14.445 8.047 5.822 419 HB2 ASP 56 HB2 ASP 56 -15.721 8.366 3.675 420 HB3 ASP 56 HB3 ASP 56 -17.122 7.699 4.500 421 H LYS 57 H LYS 57 -15.359 8.730 7.665 422 HA LYS 57 HA LYS 57 -16.211 6.839 9.518 423 HB2 LYS 57 HB2 LYS 57 -16.159 8.608 11.033 424 HB3 LYS 57 HB3 LYS 57 -14.910 8.941 9.869 425 HG2 LYS 57 HG2 LYS 57 -17.570 10.261 10.114 426 HG3 LYS 57 HG3 LYS 57 -15.999 10.970 10.412 427 HD2 LYS 57 HD2 LYS 57 -15.578 10.387 7.896 428 HD3 LYS 57 HD3 LYS 57 -17.342 10.331 7.807 429 HE2 LYS 57 HE2 LYS 57 -15.742 12.677 8.850 430 HE3 LYS 57 HE3 LYS 57 -16.363 12.543 7.209 431 HZ1 LYS 57 HZ1 LYS 57 -18.608 12.463 8.111 432 HZ2 LYS 57 HZ2 LYS 57 -17.817 13.877 8.588 433 HZ3 LYS 57 HZ3 LYS 57 -18.004 12.605 9.685 434 H VAL 58 H VAL 58 -17.996 8.420 7.187 435 HA VAL 58 HA VAL 58 -20.492 7.988 8.667 436 HB VAL 58 HB VAL 58 -19.598 10.477 7.244 437 HG11 VAL 58 HG11 VAL 58 -21.885 11.345 7.584 438 HG12 VAL 58 HG12 VAL 58 -22.403 9.718 8.023 439 HG13 VAL 58 HG13 VAL 58 -21.799 10.043 6.398 440 HG21 VAL 58 HG21 VAL 58 -20.919 10.263 9.908 441 HG22 VAL 58 HG22 VAL 58 -19.825 11.507 9.294 442 HG23 VAL 58 HG23 VAL 58 -19.206 9.906 9.709 443 H ALA 59 H ALA 59 -19.210 8.959 5.519 444 HA ALA 59 HA ALA 59 -21.491 8.053 4.117 445 HB1 ALA 59 HB1 ALA 59 -20.060 9.857 3.307 446 HB2 ALA 59 HB2 ALA 59 -20.259 8.582 2.104 447 HB3 ALA 59 HB3 ALA 59 -18.764 8.691 3.033 448 H GLY 60 H GLY 60 -18.939 6.436 5.438 449 HA2 GLY 60 HA2 GLY 60 -18.356 4.229 5.511 450 HA3 GLY 60 HA3 GLY 60 -19.963 3.920 4.882 451 H HIS 61 H HIS 61 -17.751 5.792 2.964 452 HA HIS 61 HA HIS 61 -17.401 3.417 1.249 453 HB2 HIS 61 HB2 HIS 61 -17.214 4.875 -0.687 454 HB3 HIS 61 HB3 HIS 61 -18.719 5.199 0.151 455 HD1 HIS 61 HD1 HIS 61 -19.223 7.594 0.483 456 HD2 HIS 61 HD2 HIS 61 -15.150 6.935 -0.033 457 HE1 HIS 61 HE1 HIS 61 -18.167 9.878 0.415 458 HE2 HIS 61 HE2 HIS 61 -15.724 9.456 -0.019 459 H SER 62 H SER 62 -15.391 2.959 0.391 460 HA SER 62 HA SER 62 -13.194 3.551 2.011 461 HB2 SER 62 HB2 SER 62 -13.084 2.598 -0.855 462 HB3 SER 62 HB3 SER 62 -11.907 2.293 0.426 463 HG SER 62 HG SER 62 -13.090 0.491 0.477 464 H LEU 63 H LEU 63 -11.683 5.099 1.960 465 HA LEU 63 HA LEU 63 -12.306 7.417 0.347 466 HB2 LEU 63 HB2 LEU 63 -10.233 7.012 2.500 467 HB3 LEU 63 HB3 LEU 63 -10.632 8.549 1.753 468 HG LEU 63 HG LEU 63 -12.477 6.861 3.443 469 HD11 LEU 63 HD11 LEU 63 -12.365 8.761 4.996 470 HD12 LEU 63 HD12 LEU 63 -11.142 9.509 3.969 471 HD13 LEU 63 HD13 LEU 63 -10.799 7.977 4.774 472 HD21 LEU 63 HD21 LEU 63 -13.795 7.937 1.773 473 HD22 LEU 63 HD22 LEU 63 -12.932 9.459 1.994 474 HD23 LEU 63 HD23 LEU 63 -13.980 8.848 3.272 475 H GLY 64 H GLY 64 -10.722 4.797 -0.431 476 HA2 GLY 64 HA2 GLY 64 -9.544 4.480 -2.398 477 HA3 GLY 64 HA3 GLY 64 -9.269 6.211 -2.481 478 H TYR 65 H TYR 65 -8.450 4.531 0.451 479 HA TYR 65 HA TYR 65 -5.803 3.876 -0.399 480 HB2 TYR 65 HB2 TYR 65 -4.531 5.443 0.833 481 HB3 TYR 65 HB3 TYR 65 -5.732 6.390 -0.026 482 HD1 TYR 65 HD1 TYR 65 -7.847 7.050 1.307 483 HD2 TYR 65 HD2 TYR 65 -4.226 5.710 3.085 484 HE1 TYR 65 HE1 TYR 65 -8.489 8.126 3.413 485 HE2 TYR 65 HE2 TYR 65 -4.862 6.776 5.196 486 HH TYR 65 HH TYR 65 -6.316 8.571 6.001 487 H GLY 66 H GLY 66 -4.513 2.916 1.304 488 HA2 GLY 66 HA2 GLY 66 -5.734 2.281 3.824 489 HA3 GLY 66 HA3 GLY 66 -5.736 0.930 2.703 490 H PHE 67 H PHE 67 -4.404 0.148 4.658 491 HA PHE 67 HA PHE 67 -1.564 0.693 4.133 492 HB2 PHE 67 HB2 PHE 67 -2.851 0.670 6.874 493 HB3 PHE 67 HB3 PHE 67 -1.122 0.767 6.574 494 HD1 PHE 67 HD1 PHE 67 -0.151 2.812 5.606 495 HD2 PHE 67 HD2 PHE 67 -4.267 2.567 6.646 496 HE1 PHE 67 HE1 PHE 67 -0.315 5.264 5.527 497 HE2 PHE 67 HE2 PHE 67 -4.440 5.017 6.567 498 HZ PHE 67 HZ PHE 67 -2.461 6.371 6.006 499 H VAL 68 H VAL 68 -0.912 -1.281 3.423 500 HA VAL 68 HA VAL 68 -1.601 -3.572 5.098 501 HB VAL 68 HB VAL 68 -2.369 -4.472 3.230 502 HG11 VAL 68 HG11 VAL 68 -2.419 -2.350 2.107 503 HG12 VAL 68 HG12 VAL 68 -2.008 -3.650 0.989 504 HG13 VAL 68 HG13 VAL 68 -0.747 -2.565 1.584 505 HG21 VAL 68 HG21 VAL 68 -0.734 -5.565 1.715 506 HG22 VAL 68 HG22 VAL 68 -0.399 -5.836 3.423 507 HG23 VAL 68 HG23 VAL 68 0.553 -4.660 2.513 508 H ASN 69 H ASN 69 -0.105 -4.139 6.398 509 HA ASN 69 HA ASN 69 2.699 -3.592 5.866 510 HB2 ASN 69 HB2 ASN 69 1.490 -3.297 8.137 511 HB3 ASN 69 HB3 ASN 69 1.562 -5.043 8.251 512 HD21 ASN 69 HD21 ASN 69 3.471 -6.033 8.740 513 HD22 ASN 69 HD22 ASN 69 4.899 -5.170 9.182 514 H TYR 70 H TYR 70 4.027 -5.086 5.028 515 HA TYR 70 HA TYR 70 3.066 -7.810 4.712 516 HB2 TYR 70 HB2 TYR 70 5.333 -6.203 3.605 517 HB3 TYR 70 HB3 TYR 70 5.451 -7.952 3.595 518 HD1 TYR 70 HD1 TYR 70 4.185 -5.087 1.899 519 HD2 TYR 70 HD2 TYR 70 3.589 -9.258 2.472 520 HE1 TYR 70 HE1 TYR 70 2.894 -5.193 -0.187 521 HE2 TYR 70 HE2 TYR 70 2.306 -9.370 0.383 522 HH TYR 70 HH TYR 70 1.161 -8.051 -1.135 523 H VAL 71 H VAL 71 4.475 -9.626 5.197 524 HA VAL 71 HA VAL 71 5.574 -9.461 7.837 525 HB VAL 71 HB VAL 71 6.084 -11.815 7.609 526 HG11 VAL 71 HG11 VAL 71 3.428 -11.099 6.371 527 HG12 VAL 71 HG12 VAL 71 3.784 -11.265 8.092 528 HG13 VAL 71 HG13 VAL 71 3.835 -12.683 7.040 529 HG21 VAL 71 HG21 VAL 71 6.981 -11.802 5.342 530 HG22 VAL 71 HG22 VAL 71 5.366 -11.516 4.694 531 HG23 VAL 71 HG23 VAL 71 5.731 -13.033 5.516 532 H THR 72 H THR 72 6.704 -9.024 4.664 533 HA THR 72 HA THR 72 9.506 -8.880 5.566 534 HB THR 72 HB THR 72 10.001 -9.198 3.071 535 HG1 THR 72 HG1 THR 72 8.084 -10.708 2.308 536 HG21 THR 72 HG21 THR 72 9.910 -11.642 3.186 537 HG22 THR 72 HG22 THR 72 8.887 -11.526 4.625 538 HG23 THR 72 HG23 THR 72 10.545 -10.924 4.667 539 H ALA 73 H ALA 73 10.754 -7.191 4.546 540 HA ALA 73 HA ALA 73 9.201 -5.003 3.396 541 HB1 ALA 73 HB1 ALA 73 10.964 -4.406 4.958 542 HB2 ALA 73 HB2 ALA 73 11.353 -3.803 3.348 543 HB3 ALA 73 HB3 ALA 73 12.158 -5.246 3.967 544 H LYS 74 H LYS 74 10.857 -7.769 2.563 545 HA LYS 74 HA LYS 74 11.770 -7.231 -0.048 546 HB2 LYS 74 HB2 LYS 74 12.586 -9.142 1.051 547 HB3 LYS 74 HB3 LYS 74 10.977 -9.701 1.459 548 HG2 LYS 74 HG2 LYS 74 11.262 -9.519 -1.380 549 HG3 LYS 74 HG3 LYS 74 12.560 -10.495 -0.683 550 HD2 LYS 74 HD2 LYS 74 11.091 -12.030 0.234 551 HD3 LYS 74 HD3 LYS 74 9.732 -10.904 0.194 552 HE2 LYS 74 HE2 LYS 74 9.781 -11.002 -2.267 553 HE3 LYS 74 HE3 LYS 74 11.054 -12.220 -2.169 554 HZ1 LYS 74 HZ1 LYS 74 8.270 -12.471 -1.150 555 HZ2 LYS 74 HZ2 LYS 74 9.491 -13.618 -0.887 556 HZ3 LYS 74 HZ3 LYS 74 8.955 -13.304 -2.458 557 H ASP 75 H ASP 75 8.731 -8.766 1.053 558 HA ASP 75 HA ASP 75 7.627 -8.749 -1.594 559 HB2 ASP 75 HB2 ASP 75 6.396 -9.309 1.108 560 HB3 ASP 75 HB3 ASP 75 5.493 -9.396 -0.401 561 H ALA 76 H ALA 76 7.859 -6.432 0.903 562 HA ALA 76 HA ALA 76 5.669 -4.774 0.276 563 HB1 ALA 76 HB1 ALA 76 6.881 -4.291 2.260 564 HB2 ALA 76 HB2 ALA 76 7.174 -2.929 1.174 565 HB3 ALA 76 HB3 ALA 76 8.408 -4.169 1.386 566 H GLU 77 H GLU 77 9.062 -4.494 -0.791 567 HA GLU 77 HA GLU 77 8.645 -2.656 -2.873 568 HB2 GLU 77 HB2 GLU 77 10.873 -3.122 -2.093 569 HB3 GLU 77 HB3 GLU 77 10.710 -4.834 -2.461 570 HG2 GLU 77 HG2 GLU 77 10.582 -4.272 -4.850 571 HG3 GLU 77 HG3 GLU 77 10.848 -2.579 -4.448 572 H ARG 78 H ARG 78 8.212 -6.109 -2.675 573 HA ARG 78 HA ARG 78 8.075 -6.676 -5.427 574 HB2 ARG 78 HB2 ARG 78 8.441 -8.283 -3.529 575 HB3 ARG 78 HB3 ARG 78 6.734 -8.126 -3.153 576 HG2 ARG 78 HG2 ARG 78 6.133 -9.102 -5.260 577 HG3 ARG 78 HG3 ARG 78 7.827 -9.146 -5.756 578 HD2 ARG 78 HD2 ARG 78 8.331 -10.643 -3.896 579 HD3 ARG 78 HD3 ARG 78 6.643 -10.601 -3.400 580 HE ARG 78 HE ARG 78 7.068 -11.492 -6.105 581 HH11 ARG 78 HH11 ARG 78 6.755 -12.396 -2.737 582 HH12 ARG 78 HH12 ARG 78 6.422 -14.066 -3.090 583 HH21 ARG 78 HH21 ARG 78 6.616 -13.686 -6.572 584 HH22 ARG 78 HH22 ARG 78 6.341 -14.798 -5.271 585 H ALA 79 H ALA 79 5.700 -5.735 -2.988 586 HA ALA 79 HA ALA 79 3.470 -5.947 -4.732 587 HB1 ALA 79 HB1 ALA 79 3.813 -4.480 -2.116 588 HB2 ALA 79 HB2 ALA 79 3.045 -6.046 -2.384 589 HB3 ALA 79 HB3 ALA 79 2.282 -4.572 -2.997 590 H ILE 80 H ILE 80 5.709 -3.361 -3.908 591 HA ILE 80 HA ILE 80 4.238 -1.322 -5.218 592 HB ILE 80 HB ILE 80 7.191 -1.378 -4.761 593 HG12 ILE 80 HG12 ILE 80 4.987 -0.383 -2.951 594 HG13 ILE 80 HG13 ILE 80 5.915 -1.855 -2.696 595 HG21 ILE 80 HG21 ILE 80 5.238 0.892 -5.064 596 HG22 ILE 80 HG22 ILE 80 6.417 0.363 -6.273 597 HG23 ILE 80 HG23 ILE 80 6.967 1.047 -4.734 598 HD11 ILE 80 HD11 ILE 80 6.694 -0.023 -1.308 599 HD12 ILE 80 HD12 ILE 80 7.038 0.922 -2.758 600 HD13 ILE 80 HD13 ILE 80 7.930 -0.566 -2.442 601 H ASN 81 H ASN 81 6.710 -3.564 -6.403 602 HA ASN 81 HA ASN 81 6.734 -2.107 -8.901 603 HB2 ASN 81 HB2 ASN 81 8.339 -3.851 -9.649 604 HB3 ASN 81 HB3 ASN 81 8.839 -2.946 -8.224 605 HD21 ASN 81 HD21 ASN 81 10.132 -4.291 -7.241 606 HD22 ASN 81 HD22 ASN 81 9.712 -5.874 -6.691 607 H THR 82 H THR 82 5.227 -4.865 -7.545 608 HA THR 82 HA THR 82 4.330 -5.814 -10.119 609 HB THR 82 HB THR 82 4.053 -6.823 -7.322 610 HG1 THR 82 HG1 THR 82 6.008 -7.277 -8.304 611 HG21 THR 82 HG21 THR 82 2.658 -7.840 -9.784 612 HG22 THR 82 HG22 THR 82 1.961 -7.440 -8.207 613 HG23 THR 82 HG23 THR 82 2.979 -8.867 -8.387 614 H LEU 83 H LEU 83 2.768 -4.829 -7.058 615 HA LEU 83 HA LEU 83 0.154 -4.968 -8.266 616 HB2 LEU 83 HB2 LEU 83 1.097 -4.267 -5.514 617 HB3 LEU 83 HB3 LEU 83 -0.592 -4.315 -5.954 618 HG LEU 83 HG LEU 83 1.360 -6.621 -5.867 619 HD11 LEU 83 HD11 LEU 83 -0.602 -7.435 -4.337 620 HD12 LEU 83 HD12 LEU 83 -0.923 -5.702 -4.194 621 HD13 LEU 83 HD13 LEU 83 0.643 -6.350 -3.713 622 HD21 LEU 83 HD21 LEU 83 0.083 -7.196 -7.708 623 HD22 LEU 83 HD22 LEU 83 -1.386 -6.463 -7.059 624 HD23 LEU 83 HD23 LEU 83 -0.766 -7.969 -6.370 625 H ASN 84 H ASN 84 2.414 -2.423 -7.534 626 HA ASN 84 HA ASN 84 0.553 -0.317 -7.320 627 HB2 ASN 84 HB2 ASN 84 2.951 -0.216 -6.673 628 HB3 ASN 84 HB3 ASN 84 3.384 -0.215 -8.374 629 HD21 ASN 84 HD21 ASN 84 4.026 1.706 -6.416 630 HD22 ASN 84 HD22 ASN 84 3.352 3.205 -6.925 631 H GLY 85 H GLY 85 -0.886 0.239 -8.788 632 HA2 GLY 85 HA2 GLY 85 -1.674 1.003 -10.849 633 HA3 GLY 85 HA3 GLY 85 -0.181 0.475 -11.605 634 H LEU 86 H LEU 86 -1.882 -1.657 -9.497 635 HA LEU 86 HA LEU 86 -2.556 -3.341 -11.796 636 HB2 LEU 86 HB2 LEU 86 -1.062 -4.246 -10.060 637 HB3 LEU 86 HB3 LEU 86 -2.312 -4.019 -8.863 638 HG LEU 86 HG LEU 86 -3.432 -5.922 -9.492 639 HD11 LEU 86 HD11 LEU 86 -4.058 -5.646 -11.714 640 HD12 LEU 86 HD12 LEU 86 -2.878 -6.943 -11.857 641 HD13 LEU 86 HD13 LEU 86 -2.414 -5.284 -12.235 642 HD21 LEU 86 HD21 LEU 86 -1.062 -6.383 -8.879 643 HD22 LEU 86 HD22 LEU 86 -0.731 -6.568 -10.600 644 HD23 LEU 86 HD23 LEU 86 -1.872 -7.647 -9.798 645 H ARG 87 H ARG 87 -4.603 -4.225 -11.998 646 HA ARG 87 HA ARG 87 -6.616 -2.317 -11.292 647 HB2 ARG 87 HB2 ARG 87 -6.911 -4.858 -12.882 648 HB3 ARG 87 HB3 ARG 87 -8.026 -3.496 -12.854 649 HG2 ARG 87 HG2 ARG 87 -5.183 -3.221 -13.724 650 HG3 ARG 87 HG3 ARG 87 -6.465 -3.677 -14.846 651 HD2 ARG 87 HD2 ARG 87 -7.613 -1.597 -14.419 652 HD3 ARG 87 HD3 ARG 87 -6.444 -1.170 -13.167 653 HE ARG 87 HE ARG 87 -4.890 -1.513 -15.348 654 HH11 ARG 87 HH11 ARG 87 -7.787 0.363 -14.798 655 HH12 ARG 87 HH12 ARG 87 -7.352 1.603 -15.929 656 HH21 ARG 87 HH21 ARG 87 -4.303 0.124 -16.824 657 HH22 ARG 87 HH22 ARG 87 -5.371 1.468 -17.080 658 H LEU 88 H LEU 88 -7.455 -2.433 -9.328 659 HA LEU 88 HA LEU 88 -8.340 -5.029 -8.287 660 HB2 LEU 88 HB2 LEU 88 -7.167 -2.654 -7.095 661 HB3 LEU 88 HB3 LEU 88 -8.643 -3.147 -6.285 662 HG LEU 88 HG LEU 88 -6.293 -4.963 -6.782 663 HD11 LEU 88 HD11 LEU 88 -6.198 -2.907 -5.099 664 HD12 LEU 88 HD12 LEU 88 -5.479 -4.475 -4.726 665 HD13 LEU 88 HD13 LEU 88 -7.062 -4.055 -4.078 666 HD21 LEU 88 HD21 LEU 88 -8.816 -5.260 -5.162 667 HD22 LEU 88 HD22 LEU 88 -7.471 -6.405 -5.169 668 HD23 LEU 88 HD23 LEU 88 -8.406 -6.132 -6.640 669 H GLN 89 H GLN 89 -10.423 -5.409 -8.647 670 HA GLN 89 HA GLN 89 -12.651 -5.117 -8.991 671 HB2 GLN 89 HB2 GLN 89 -12.182 -2.877 -7.066 672 HB3 GLN 89 HB3 GLN 89 -13.776 -3.446 -7.535 673 HG2 GLN 89 HG2 GLN 89 -13.111 -5.705 -6.667 674 HG3 GLN 89 HG3 GLN 89 -11.662 -4.942 -6.015 675 HE21 GLN 89 HE21 GLN 89 -13.038 -2.474 -5.387 676 HE22 GLN 89 HE22 GLN 89 -14.004 -2.792 -3.994 677 H SER 90 H SER 90 -10.866 -3.840 -10.793 678 HA SER 90 HA SER 90 -11.108 -2.716 -12.767 679 HB2 SER 90 HB2 SER 90 -13.583 -3.217 -12.431 680 HB3 SER 90 HB3 SER 90 -13.724 -1.592 -11.774 681 HG SER 90 HG SER 90 -13.049 -2.395 -14.397 682 H LYS 91 H LYS 91 -10.262 -1.627 -10.036 683 HA LYS 91 HA LYS 91 -10.032 1.204 -10.847 684 HB2 LYS 91 HB2 LYS 91 -11.244 0.309 -8.607 685 HB3 LYS 91 HB3 LYS 91 -9.600 0.436 -8.033 686 HG2 LYS 91 HG2 LYS 91 -11.121 2.679 -9.288 687 HG3 LYS 91 HG3 LYS 91 -10.984 2.404 -7.554 688 HD2 LYS 91 HD2 LYS 91 -8.468 2.369 -7.965 689 HD3 LYS 91 HD3 LYS 91 -8.865 3.106 -9.510 690 HE2 LYS 91 HE2 LYS 91 -10.099 4.857 -8.249 691 HE3 LYS 91 HE3 LYS 91 -9.464 4.166 -6.765 692 HZ1 LYS 91 HZ1 LYS 91 -7.232 4.568 -7.661 693 HZ2 LYS 91 HZ2 LYS 91 -8.106 6.000 -7.459 694 HZ3 LYS 91 HZ3 LYS 91 -7.906 5.341 -9.003 695 H THR 92 H THR 92 -7.944 2.072 -10.821 696 HA THR 92 HA THR 92 -5.799 0.116 -10.552 697 HB THR 92 HB THR 92 -5.091 2.840 -11.388 698 HG1 THR 92 HG1 THR 92 -6.039 2.560 -13.459 699 HG21 THR 92 HG21 THR 92 -3.472 1.028 -11.485 700 HG22 THR 92 HG22 THR 92 -3.844 1.583 -13.116 701 HG23 THR 92 HG23 THR 92 -4.558 0.090 -12.512 702 H ILE 93 H ILE 93 -4.463 0.083 -8.880 703 HA ILE 93 HA ILE 93 -4.774 2.126 -6.812 704 HB ILE 93 HB ILE 93 -3.955 0.474 -5.280 705 HG12 ILE 93 HG12 ILE 93 -3.409 -1.156 -7.764 706 HG13 ILE 93 HG13 ILE 93 -2.226 -0.554 -6.610 707 HG21 ILE 93 HG21 ILE 93 -6.333 0.388 -6.057 708 HG22 ILE 93 HG22 ILE 93 -5.711 -1.135 -5.427 709 HG23 ILE 93 HG23 ILE 93 -5.854 -0.898 -7.169 710 HD11 ILE 93 HD11 ILE 93 -3.159 -2.021 -4.907 711 HD12 ILE 93 HD12 ILE 93 -2.599 -2.915 -6.321 712 HD13 ILE 93 HD13 ILE 93 -4.325 -2.627 -6.083 713 H LYS 94 H LYS 94 -2.785 2.596 -5.465 714 HA LYS 94 HA LYS 94 -0.263 2.142 -6.867 715 HB2 LYS 94 HB2 LYS 94 -0.934 4.395 -7.570 716 HB3 LYS 94 HB3 LYS 94 -1.091 4.888 -5.888 717 HG2 LYS 94 HG2 LYS 94 1.228 4.706 -5.510 718 HG3 LYS 94 HG3 LYS 94 1.482 3.861 -7.039 719 HD2 LYS 94 HD2 LYS 94 0.552 6.722 -6.777 720 HD3 LYS 94 HD3 LYS 94 2.204 6.218 -7.141 721 HE2 LYS 94 HE2 LYS 94 1.248 4.992 -9.138 722 HE3 LYS 94 HE3 LYS 94 -0.266 5.835 -8.823 723 HZ1 LYS 94 HZ1 LYS 94 0.944 7.038 -10.458 724 HZ2 LYS 94 HZ2 LYS 94 2.353 7.046 -9.520 725 HZ3 LYS 94 HZ3 LYS 94 1.001 7.938 -9.030 726 H VAL 95 H VAL 95 1.015 1.165 -5.501 727 HA VAL 95 HA VAL 95 0.530 1.492 -2.638 728 HB VAL 95 HB VAL 95 0.684 -0.696 -2.400 729 HG11 VAL 95 HG11 VAL 95 -0.646 -0.669 -4.402 730 HG12 VAL 95 HG12 VAL 95 0.373 -2.117 -4.375 731 HG13 VAL 95 HG13 VAL 95 0.807 -0.745 -5.399 732 HG21 VAL 95 HG21 VAL 95 3.174 -0.500 -4.018 733 HG22 VAL 95 HG22 VAL 95 2.541 -2.050 -3.463 734 HG23 VAL 95 HG23 VAL 95 2.994 -0.810 -2.293 735 H SER 96 H SER 96 2.273 1.690 -1.188 736 HA SER 96 HA SER 96 4.969 2.080 -2.120 737 HB2 SER 96 HB2 SER 96 3.678 4.283 -2.563 738 HB3 SER 96 HB3 SER 96 3.618 4.436 -0.807 739 HG SER 96 HG SER 96 5.563 5.202 -2.338 740 H TYR 97 H TYR 97 6.192 3.130 -0.093 741 HA TYR 97 HA TYR 97 5.544 1.486 2.213 742 HB2 TYR 97 HB2 TYR 97 7.608 3.660 2.263 743 HB3 TYR 97 HB3 TYR 97 7.606 2.111 3.096 744 HD1 TYR 97 HD1 TYR 97 7.847 0.001 1.609 745 HD2 TYR 97 HD2 TYR 97 8.823 3.938 0.346 746 HE1 TYR 97 HE1 TYR 97 9.291 -0.933 -0.152 747 HE2 TYR 97 HE2 TYR 97 10.257 3.045 -1.415 748 HH TYR 97 HH TYR 97 10.231 -0.229 -2.335 749 H ALA 98 H ALA 98 4.081 2.117 3.639 750 HA ALA 98 HA ALA 98 3.213 4.830 3.857 751 HB1 ALA 98 HB1 ALA 98 1.806 2.787 4.360 752 HB2 ALA 98 HB2 ALA 98 1.749 4.064 5.573 753 HB3 ALA 98 HB3 ALA 98 2.726 2.620 5.858 754 H ARG 99 H ARG 99 4.101 6.393 5.059 755 HA ARG 99 HA ARG 99 6.742 6.354 5.649 756 HB2 ARG 99 HB2 ARG 99 4.662 8.075 6.995 757 HB3 ARG 99 HB3 ARG 99 6.386 8.418 6.938 758 HG2 ARG 99 HG2 ARG 99 6.314 8.672 4.555 759 HG3 ARG 99 HG3 ARG 99 4.629 8.152 4.511 760 HD2 ARG 99 HD2 ARG 99 4.064 10.125 5.927 761 HD3 ARG 99 HD3 ARG 99 5.733 10.668 5.745 762 HE ARG 99 HE ARG 99 4.726 10.204 3.198 763 HH11 ARG 99 HH11 ARG 99 4.149 12.386 5.871 764 HH12 ARG 99 HH12 ARG 99 3.546 13.660 4.859 765 HH21 ARG 99 HH21 ARG 99 3.940 11.880 1.872 766 HH22 ARG 99 HH22 ARG 99 3.435 13.376 2.581 767 HA PRO 100 HA PRO 100 6.787 4.071 9.537 768 HB2 PRO 100 HB2 PRO 100 9.566 3.562 8.997 769 HB3 PRO 100 HB3 PRO 100 8.222 2.424 8.972 770 HG2 PRO 100 HG2 PRO 100 9.608 3.179 6.742 771 HG3 PRO 100 HG3 PRO 100 7.927 2.618 6.717 772 HD2 PRO 100 HD2 PRO 100 8.995 5.410 6.640 773 HD3 PRO 100 HD3 PRO 100 7.653 4.692 5.722 774 H SER 101 H SER 101 6.883 5.378 11.235 775 HA SER 101 HA SER 101 8.547 7.530 11.563 776 HB2 SER 101 HB2 SER 101 7.067 5.992 13.681 777 HB3 SER 101 HB3 SER 101 7.596 7.669 13.760 778 HG SER 101 HG SER 101 6.239 7.793 11.696 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 6.750 22.141 3.699 2 H2 GLY 1 H2 GLY 1 8.047 21.607 4.645 3 H3 GLY 1 H3 GLY 1 7.138 20.497 3.749 4 HA2 GLY 1 HA2 GLY 1 8.829 22.647 2.609 5 HA3 GLY 1 HA3 GLY 1 9.271 20.950 2.697 6 H HIS 2 H HIS 2 9.428 21.793 0.270 7 HA HIS 2 HA HIS 2 6.910 21.608 -1.147 8 HB2 HIS 2 HB2 HIS 2 9.774 21.858 -2.071 9 HB3 HIS 2 HB3 HIS 2 8.436 21.643 -3.193 10 HD1 HIS 2 HD1 HIS 2 6.780 23.638 -3.457 11 HD2 HIS 2 HD2 HIS 2 10.038 24.405 -0.992 12 HE1 HIS 2 HE1 HIS 2 6.826 26.132 -3.155 13 HE2 HIS 2 HE2 HIS 2 8.831 26.582 -1.699 14 H MET 3 H MET 3 6.276 19.509 -0.395 15 HA MET 3 HA MET 3 7.925 17.238 -1.033 16 HB2 MET 3 HB2 MET 3 6.488 17.241 0.969 17 HB3 MET 3 HB3 MET 3 5.063 17.341 -0.057 18 HG2 MET 3 HG2 MET 3 5.486 15.170 -0.966 19 HG3 MET 3 HG3 MET 3 7.041 15.079 -0.143 20 HE1 MET 3 HE1 MET 3 3.680 16.497 1.353 21 HE2 MET 3 HE2 MET 3 2.993 15.049 2.089 22 HE3 MET 3 HE3 MET 3 3.130 15.168 0.335 23 H SER 4 H SER 4 4.507 17.782 -1.888 24 HA SER 4 HA SER 4 3.307 16.948 -3.653 25 HB2 SER 4 HB2 SER 4 4.078 17.967 -5.840 26 HB3 SER 4 HB3 SER 4 3.849 19.099 -4.511 27 HG SER 4 HG SER 4 6.390 18.051 -4.668 28 H ASN 5 H ASN 5 4.137 14.734 -3.022 29 HA ASN 5 HA ASN 5 6.025 13.666 -5.002 30 HB2 ASN 5 HB2 ASN 5 6.741 13.569 -2.609 31 HB3 ASN 5 HB3 ASN 5 5.356 12.529 -2.280 32 HD21 ASN 5 HD21 ASN 5 6.632 10.793 -1.663 33 HD22 ASN 5 HD22 ASN 5 7.590 9.889 -2.796 34 H GLY 6 H GLY 6 5.509 11.926 -6.180 35 HA2 GLY 6 HA2 GLY 6 2.702 11.127 -6.178 36 HA3 GLY 6 HA3 GLY 6 3.868 10.820 -7.454 37 H TYR 7 H TYR 7 4.860 10.147 -4.254 38 HA TYR 7 HA TYR 7 5.031 8.311 -2.947 39 HB2 TYR 7 HB2 TYR 7 2.962 7.161 -4.816 40 HB3 TYR 7 HB3 TYR 7 3.592 6.300 -3.415 41 HD1 TYR 7 HD1 TYR 7 0.847 8.023 -4.480 42 HD2 TYR 7 HD2 TYR 7 3.609 8.025 -1.235 43 HE1 TYR 7 HE1 TYR 7 -0.835 9.103 -3.050 44 HE2 TYR 7 HE2 TYR 7 1.926 9.102 0.201 45 HH TYR 7 HH TYR 7 -0.064 10.389 0.058 46 H GLU 8 H GLU 8 5.024 7.428 -6.402 47 HA GLU 8 HA GLU 8 6.774 5.192 -5.870 48 HB2 GLU 8 HB2 GLU 8 6.533 4.666 -8.219 49 HB3 GLU 8 HB3 GLU 8 4.958 5.039 -7.536 50 HG2 GLU 8 HG2 GLU 8 5.182 7.341 -8.450 51 HG3 GLU 8 HG3 GLU 8 6.661 6.817 -9.254 52 H ASP 9 H ASP 9 7.837 7.703 -5.224 53 HA ASP 9 HA ASP 9 9.934 8.186 -7.185 54 HB2 ASP 9 HB2 ASP 9 10.514 10.103 -5.957 55 HB3 ASP 9 HB3 ASP 9 8.765 10.019 -5.774 56 H HIS 10 H HIS 10 9.294 6.308 -4.531 57 HA HIS 10 HA HIS 10 12.111 5.485 -4.341 58 HB2 HIS 10 HB2 HIS 10 11.602 4.762 -1.973 59 HB3 HIS 10 HB3 HIS 10 11.637 6.503 -2.226 60 HD1 HIS 10 HD1 HIS 10 9.370 7.772 -2.022 61 HD2 HIS 10 HD2 HIS 10 9.142 3.696 -1.264 62 HE1 HIS 10 HE1 HIS 10 7.180 7.430 -0.840 63 HE2 HIS 10 HE2 HIS 10 7.167 4.995 -0.207 64 H MET 11 H MET 11 10.238 4.595 -6.158 65 HA MET 11 HA MET 11 9.259 2.010 -5.248 66 HB2 MET 11 HB2 MET 11 7.752 3.219 -6.635 67 HB3 MET 11 HB3 MET 11 9.011 3.596 -7.797 68 HG2 MET 11 HG2 MET 11 9.117 1.192 -8.386 69 HG3 MET 11 HG3 MET 11 7.748 0.914 -7.311 70 HE1 MET 11 HE1 MET 11 7.537 3.644 -11.021 71 HE2 MET 11 HE2 MET 11 9.029 3.053 -10.283 72 HE3 MET 11 HE3 MET 11 8.042 4.255 -9.446 73 H ALA 12 H ALA 12 11.840 3.431 -7.037 74 HA ALA 12 HA ALA 12 12.731 0.820 -8.019 75 HB1 ALA 12 HB1 ALA 12 14.167 2.027 -9.527 76 HB2 ALA 12 HB2 ALA 12 13.775 3.554 -8.737 77 HB3 ALA 12 HB3 ALA 12 12.531 2.683 -9.637 78 H GLU 13 H GLU 13 14.026 3.706 -6.359 79 HA GLU 13 HA GLU 13 15.589 2.179 -4.551 80 HB2 GLU 13 HB2 GLU 13 17.826 2.850 -5.378 81 HB3 GLU 13 HB3 GLU 13 16.993 1.774 -6.490 82 HG2 GLU 13 HG2 GLU 13 16.380 3.664 -7.891 83 HG3 GLU 13 HG3 GLU 13 17.166 4.767 -6.764 84 H ASP 14 H ASP 14 17.272 3.678 -3.454 85 HA ASP 14 HA ASP 14 17.997 5.633 -2.544 86 HB2 ASP 14 HB2 ASP 14 17.693 6.574 -4.867 87 HB3 ASP 14 HB3 ASP 14 16.088 7.099 -4.366 88 H CYS 15 H CYS 15 17.275 7.433 -1.193 89 HA CYS 15 HA CYS 15 15.959 8.627 0.176 90 HB2 CYS 15 HB2 CYS 15 13.737 7.131 -1.160 91 HB3 CYS 15 HB3 CYS 15 13.505 8.422 0.023 92 HG CYS 15 HG CYS 15 15.414 9.099 -2.686 93 H ARG 16 H ARG 16 14.677 8.486 2.095 94 HA ARG 16 HA ARG 16 15.180 5.959 3.475 95 HB2 ARG 16 HB2 ARG 16 14.592 8.675 4.671 96 HB3 ARG 16 HB3 ARG 16 15.113 7.228 5.530 97 HG2 ARG 16 HG2 ARG 16 17.021 8.545 5.353 98 HG3 ARG 16 HG3 ARG 16 17.204 7.311 4.110 99 HD2 ARG 16 HD2 ARG 16 16.185 9.030 2.504 100 HD3 ARG 16 HD3 ARG 16 16.472 10.215 3.784 101 HE ARG 16 HE ARG 16 18.816 8.697 3.177 102 HH11 ARG 16 HH11 ARG 16 16.899 11.460 2.194 103 HH12 ARG 16 HH12 ARG 16 18.195 12.204 1.315 104 HH21 ARG 16 HH21 ARG 16 20.516 9.676 2.012 105 HH22 ARG 16 HH22 ARG 16 20.245 11.188 1.204 106 H GLY 17 H GLY 17 13.297 5.267 2.244 107 HA2 GLY 17 HA2 GLY 17 10.973 5.182 3.938 108 HA3 GLY 17 HA3 GLY 17 10.701 6.054 2.424 109 H ASP 18 H ASP 18 12.144 3.027 3.619 110 HA ASP 18 HA ASP 18 11.179 1.268 1.734 111 HB2 ASP 18 HB2 ASP 18 11.978 2.321 -0.158 112 HB3 ASP 18 HB3 ASP 18 13.369 3.003 0.679 113 H ILE 19 H ILE 19 13.994 2.367 3.467 114 HA ILE 19 HA ILE 19 15.959 0.664 3.342 115 HB ILE 19 HB ILE 19 15.248 0.823 6.160 116 HG12 ILE 19 HG12 ILE 19 15.743 3.521 4.980 117 HG13 ILE 19 HG13 ILE 19 14.113 2.863 4.901 118 HG21 ILE 19 HG21 ILE 19 17.476 1.995 4.522 119 HG22 ILE 19 HG22 ILE 19 17.501 0.434 5.343 120 HG23 ILE 19 HG23 ILE 19 17.423 1.924 6.281 121 HD11 ILE 19 HD11 ILE 19 15.666 3.024 7.453 122 HD12 ILE 19 HD12 ILE 19 13.933 2.713 7.242 123 HD13 ILE 19 HD13 ILE 19 14.602 4.305 6.875 124 H GLY 20 H GLY 20 13.635 -0.090 5.911 125 HA2 GLY 20 HA2 GLY 20 13.408 -2.827 4.931 126 HA3 GLY 20 HA3 GLY 20 14.100 -2.608 6.533 127 H ARG 21 H ARG 21 11.530 -0.726 5.032 128 HA ARG 21 HA ARG 21 9.899 -1.146 7.381 129 HB2 ARG 21 HB2 ARG 21 9.209 0.442 4.954 130 HB3 ARG 21 HB3 ARG 21 8.398 0.493 6.502 131 HG2 ARG 21 HG2 ARG 21 9.676 2.335 6.738 132 HG3 ARG 21 HG3 ARG 21 10.860 1.155 7.295 133 HD2 ARG 21 HD2 ARG 21 11.901 1.107 5.171 134 HD3 ARG 21 HD3 ARG 21 10.625 2.115 4.472 135 HE ARG 21 HE ARG 21 12.851 3.010 6.024 136 HH11 ARG 21 HH11 ARG 21 9.540 3.726 5.166 137 HH12 ARG 21 HH12 ARG 21 9.634 5.383 5.674 138 HH21 ARG 21 HH21 ARG 21 12.954 5.191 6.746 139 HH22 ARG 21 HH22 ARG 21 11.551 6.198 6.585 140 H THR 22 H THR 22 7.836 -2.002 7.395 141 HA THR 22 HA THR 22 7.381 -3.894 5.197 142 HB THR 22 HB THR 22 6.194 -5.271 6.899 143 HG1 THR 22 HG1 THR 22 5.677 -3.577 8.381 144 HG21 THR 22 HG21 THR 22 8.550 -5.683 6.378 145 HG22 THR 22 HG22 THR 22 8.221 -5.995 8.084 146 HG23 THR 22 HG23 THR 22 9.033 -4.504 7.599 147 H ASN 23 H ASN 23 6.156 -1.150 6.737 148 HA ASN 23 HA ASN 23 3.351 -1.711 6.294 149 HB2 ASN 23 HB2 ASN 23 4.355 -0.156 8.119 150 HB3 ASN 23 HB3 ASN 23 4.513 1.018 6.812 151 HD21 ASN 23 HD21 ASN 23 3.024 2.398 7.823 152 HD22 ASN 23 HD22 ASN 23 1.325 2.074 7.799 153 H LEU 24 H LEU 24 2.343 -1.422 4.423 154 HA LEU 24 HA LEU 24 3.600 0.341 2.431 155 HB2 LEU 24 HB2 LEU 24 2.656 -2.374 2.298 156 HB3 LEU 24 HB3 LEU 24 1.779 -1.374 1.156 157 HG LEU 24 HG LEU 24 3.776 -0.779 0.007 158 HD11 LEU 24 HD11 LEU 24 5.280 -0.433 1.851 159 HD12 LEU 24 HD12 LEU 24 5.992 -1.594 0.729 160 HD13 LEU 24 HD13 LEU 24 5.261 -2.152 2.235 161 HD21 LEU 24 HD21 LEU 24 2.845 -2.942 -0.533 162 HD22 LEU 24 HD22 LEU 24 3.830 -3.694 0.723 163 HD23 LEU 24 HD23 LEU 24 4.601 -2.961 -0.685 164 H ILE 25 H ILE 25 2.588 2.137 2.147 165 HA ILE 25 HA ILE 25 -0.240 2.424 2.639 166 HB ILE 25 HB ILE 25 1.321 4.317 3.061 167 HG12 ILE 25 HG12 ILE 25 -0.912 4.669 1.067 168 HG13 ILE 25 HG13 ILE 25 -0.983 4.780 2.825 169 HG21 ILE 25 HG21 ILE 25 2.208 5.621 1.211 170 HG22 ILE 25 HG22 ILE 25 1.560 4.455 0.059 171 HG23 ILE 25 HG23 ILE 25 2.839 3.973 1.175 172 HD11 ILE 25 HD11 ILE 25 0.279 6.819 2.792 173 HD12 ILE 25 HD12 ILE 25 -1.114 6.962 1.715 174 HD13 ILE 25 HD13 ILE 25 0.497 6.695 1.047 175 H VAL 26 H VAL 26 -1.755 2.020 1.187 176 HA VAL 26 HA VAL 26 -0.909 1.810 -1.629 177 HB VAL 26 HB VAL 26 -3.200 0.298 -0.381 178 HG11 VAL 26 HG11 VAL 26 -3.052 -1.041 -2.421 179 HG12 VAL 26 HG12 VAL 26 -1.711 -0.044 -2.986 180 HG13 VAL 26 HG13 VAL 26 -3.316 0.660 -2.807 181 HG21 VAL 26 HG21 VAL 26 -1.129 -0.394 0.673 182 HG22 VAL 26 HG22 VAL 26 -0.377 -0.597 -0.908 183 HG23 VAL 26 HG23 VAL 26 -1.705 -1.651 -0.423 184 H ASN 27 H ASN 27 -1.526 3.659 -2.460 185 HA ASN 27 HA ASN 27 -4.002 4.921 -1.589 186 HB2 ASN 27 HB2 ASN 27 -1.618 6.015 -2.132 187 HB3 ASN 27 HB3 ASN 27 -2.331 6.127 -3.728 188 HD21 ASN 27 HD21 ASN 27 -2.276 7.352 -0.544 189 HD22 ASN 27 HD22 ASN 27 -3.442 8.605 -0.757 190 H TYR 28 H TYR 28 -5.237 5.990 -3.414 191 HA TYR 28 HA TYR 28 -6.550 5.864 -5.255 192 HB2 TYR 28 HB2 TYR 28 -4.276 4.254 -6.423 193 HB3 TYR 28 HB3 TYR 28 -5.539 5.082 -7.324 194 HD1 TYR 28 HD1 TYR 28 -2.342 5.368 -5.731 195 HD2 TYR 28 HD2 TYR 28 -5.636 7.623 -7.184 196 HE1 TYR 28 HE1 TYR 28 -0.948 7.392 -5.694 197 HE2 TYR 28 HE2 TYR 28 -4.255 9.659 -7.165 198 HH TYR 28 HH TYR 28 -2.262 10.509 -6.036 199 H LEU 29 H LEU 29 -6.819 3.867 -3.196 200 HA LEU 29 HA LEU 29 -7.491 1.364 -4.402 201 HB2 LEU 29 HB2 LEU 29 -8.442 2.597 -1.809 202 HB3 LEU 29 HB3 LEU 29 -8.708 0.934 -2.289 203 HG LEU 29 HG LEU 29 -6.108 2.245 -1.537 204 HD11 LEU 29 HD11 LEU 29 -6.039 0.504 0.144 205 HD12 LEU 29 HD12 LEU 29 -7.542 -0.183 -0.470 206 HD13 LEU 29 HD13 LEU 29 -7.543 1.417 0.277 207 HD21 LEU 29 HD21 LEU 29 -5.594 0.932 -3.461 208 HD22 LEU 29 HD22 LEU 29 -6.567 -0.412 -2.870 209 HD23 LEU 29 HD23 LEU 29 -5.079 0.029 -2.036 210 HA PRO 30 HA PRO 30 -11.418 2.303 -6.244 211 HB2 PRO 30 HB2 PRO 30 -12.416 -0.191 -5.006 212 HB3 PRO 30 HB3 PRO 30 -12.397 0.286 -6.696 213 HG2 PRO 30 HG2 PRO 30 -10.709 -1.563 -5.715 214 HG3 PRO 30 HG3 PRO 30 -10.254 -0.470 -7.032 215 HD2 PRO 30 HD2 PRO 30 -9.448 -0.439 -4.176 216 HD3 PRO 30 HD3 PRO 30 -8.553 0.097 -5.609 217 H GLN 31 H GLN 31 -13.316 3.263 -5.586 218 HA GLN 31 HA GLN 31 -13.328 4.156 -2.889 219 HB2 GLN 31 HB2 GLN 31 -15.304 4.584 -5.124 220 HB3 GLN 31 HB3 GLN 31 -15.363 5.413 -3.575 221 HG2 GLN 31 HG2 GLN 31 -13.071 5.541 -5.513 222 HG3 GLN 31 HG3 GLN 31 -14.333 6.761 -5.354 223 HE21 GLN 31 HE21 GLN 31 -11.495 5.362 -3.934 224 HE22 GLN 31 HE22 GLN 31 -11.263 6.564 -2.716 225 H ASN 32 H ASN 32 -14.640 1.389 -4.279 226 HA ASN 32 HA ASN 32 -16.627 1.160 -2.121 227 HB2 ASN 32 HB2 ASN 32 -17.903 -0.310 -3.542 228 HB3 ASN 32 HB3 ASN 32 -17.563 1.163 -4.439 229 HD21 ASN 32 HD21 ASN 32 -18.201 -1.561 -5.351 230 HD22 ASN 32 HD22 ASN 32 -16.903 -2.020 -6.400 231 H MET 33 H MET 33 -13.595 0.281 -2.625 232 HA MET 33 HA MET 33 -13.809 -2.581 -2.476 233 HB2 MET 33 HB2 MET 33 -11.963 -1.284 -3.612 234 HB3 MET 33 HB3 MET 33 -11.329 -0.950 -2.004 235 HG2 MET 33 HG2 MET 33 -10.967 -3.226 -1.579 236 HG3 MET 33 HG3 MET 33 -11.873 -3.714 -2.995 237 HE1 MET 33 HE1 MET 33 -7.667 -2.004 -2.814 238 HE2 MET 33 HE2 MET 33 -8.564 -2.767 -1.496 239 HE3 MET 33 HE3 MET 33 -9.083 -1.199 -2.125 240 H THR 34 H THR 34 -12.530 -3.792 -0.797 241 HA THR 34 HA THR 34 -13.243 -2.791 1.880 242 HB THR 34 HB THR 34 -13.735 -5.046 2.536 243 HG1 THR 34 HG1 THR 34 -13.519 -6.665 0.661 244 HG21 THR 34 HG21 THR 34 -15.451 -3.855 1.155 245 HG22 THR 34 HG22 THR 34 -15.562 -5.615 1.091 246 HG23 THR 34 HG23 THR 34 -14.835 -4.728 -0.254 247 H GLN 35 H GLN 35 -11.896 -3.784 3.668 248 HA GLN 35 HA GLN 35 -9.136 -3.685 3.316 249 HB2 GLN 35 HB2 GLN 35 -10.662 -5.392 5.294 250 HB3 GLN 35 HB3 GLN 35 -8.933 -5.096 5.349 251 HG2 GLN 35 HG2 GLN 35 -9.861 -3.672 6.935 252 HG3 GLN 35 HG3 GLN 35 -9.491 -2.660 5.548 253 HE21 GLN 35 HE21 GLN 35 -12.233 -4.813 5.580 254 HE22 GLN 35 HE22 GLN 35 -13.443 -3.578 5.690 255 H ASP 36 H ASP 36 -11.346 -6.402 3.198 256 HA ASP 36 HA ASP 36 -9.453 -8.448 3.035 257 HB2 ASP 36 HB2 ASP 36 -11.813 -8.830 3.548 258 HB3 ASP 36 HB3 ASP 36 -12.273 -8.305 1.937 259 H GLU 37 H GLU 37 -10.855 -6.432 0.483 260 HA GLU 37 HA GLU 37 -9.705 -7.947 -1.653 261 HB2 GLU 37 HB2 GLU 37 -10.614 -5.065 -1.586 262 HB3 GLU 37 HB3 GLU 37 -10.269 -5.992 -3.036 263 HG2 GLU 37 HG2 GLU 37 -12.375 -6.821 -1.072 264 HG3 GLU 37 HG3 GLU 37 -12.716 -5.711 -2.398 265 H LEU 38 H LEU 38 -8.872 -4.905 -0.052 266 HA LEU 38 HA LEU 38 -6.436 -4.377 -1.313 267 HB2 LEU 38 HB2 LEU 38 -7.697 -2.806 0.132 268 HB3 LEU 38 HB3 LEU 38 -7.347 -3.792 1.523 269 HG LEU 38 HG LEU 38 -6.004 -1.593 1.048 270 HD11 LEU 38 HD11 LEU 38 -4.177 -2.438 2.320 271 HD12 LEU 38 HD12 LEU 38 -4.579 -4.098 1.880 272 HD13 LEU 38 HD13 LEU 38 -5.672 -3.168 2.911 273 HD21 LEU 38 HD21 LEU 38 -4.484 -3.614 -0.575 274 HD22 LEU 38 HD22 LEU 38 -3.930 -1.993 -0.155 275 HD23 LEU 38 HD23 LEU 38 -5.328 -2.203 -1.209 276 H ARG 39 H ARG 39 -7.275 -6.430 1.371 277 HA ARG 39 HA ARG 39 -4.601 -7.033 2.148 278 HB2 ARG 39 HB2 ARG 39 -6.745 -7.013 3.561 279 HB3 ARG 39 HB3 ARG 39 -7.079 -8.577 2.866 280 HG2 ARG 39 HG2 ARG 39 -4.564 -7.978 4.376 281 HG3 ARG 39 HG3 ARG 39 -6.034 -8.565 5.140 282 HD2 ARG 39 HD2 ARG 39 -5.984 -10.523 3.651 283 HD3 ARG 39 HD3 ARG 39 -4.443 -9.950 3.003 284 HE ARG 39 HE ARG 39 -4.062 -10.077 5.713 285 HH11 ARG 39 HH11 ARG 39 -5.086 -12.365 3.271 286 HH12 ARG 39 HH12 ARG 39 -4.311 -13.717 4.029 287 HH21 ARG 39 HH21 ARG 39 -3.035 -11.863 6.719 288 HH22 ARG 39 HH22 ARG 39 -3.150 -13.435 5.994 289 H SER 40 H SER 40 -7.118 -8.750 0.254 290 HA SER 40 HA SER 40 -5.625 -11.169 0.091 291 HB2 SER 40 HB2 SER 40 -7.911 -10.185 -1.627 292 HB3 SER 40 HB3 SER 40 -7.274 -11.829 -1.637 293 HG SER 40 HG SER 40 -8.690 -10.470 0.392 294 H LEU 41 H LEU 41 -5.848 -8.338 -1.956 295 HA LEU 41 HA LEU 41 -4.435 -9.331 -4.194 296 HB2 LEU 41 HB2 LEU 41 -5.897 -7.243 -3.915 297 HB3 LEU 41 HB3 LEU 41 -4.488 -6.498 -3.204 298 HG LEU 41 HG LEU 41 -5.177 -6.339 -5.813 299 HD11 LEU 41 HD11 LEU 41 -2.899 -5.498 -6.174 300 HD12 LEU 41 HD12 LEU 41 -2.421 -6.191 -4.626 301 HD13 LEU 41 HD13 LEU 41 -3.613 -4.896 -4.678 302 HD21 LEU 41 HD21 LEU 41 -3.032 -8.460 -5.639 303 HD22 LEU 41 HD22 LEU 41 -3.596 -7.664 -7.112 304 HD23 LEU 41 HD23 LEU 41 -4.685 -8.712 -6.205 305 H PHE 42 H PHE 42 -3.400 -7.701 -1.251 306 HA PHE 42 HA PHE 42 -0.643 -7.870 -2.033 307 HB2 PHE 42 HB2 PHE 42 -2.047 -6.942 0.462 308 HB3 PHE 42 HB3 PHE 42 -0.288 -7.066 0.374 309 HD1 PHE 42 HD1 PHE 42 -3.164 -5.647 -1.546 310 HD2 PHE 42 HD2 PHE 42 0.915 -5.223 -0.363 311 HE1 PHE 42 HE1 PHE 42 -3.042 -3.497 -2.715 312 HE2 PHE 42 HE2 PHE 42 1.016 -3.046 -1.532 313 HZ PHE 42 HZ PHE 42 -0.957 -2.210 -2.706 314 H SER 43 H SER 43 -2.886 -9.757 -0.163 315 HA SER 43 HA SER 43 -1.010 -11.582 0.906 316 HB2 SER 43 HB2 SER 43 -3.357 -11.380 1.686 317 HB3 SER 43 HB3 SER 43 -3.881 -12.071 0.158 318 HG SER 43 HG SER 43 -3.393 -13.987 0.862 319 H SER 44 H SER 44 -2.172 -10.988 -2.225 320 HA SER 44 HA SER 44 -1.579 -13.565 -3.314 321 HB2 SER 44 HB2 SER 44 -2.183 -10.896 -4.599 322 HB3 SER 44 HB3 SER 44 -1.902 -12.401 -5.491 323 HG SER 44 HG SER 44 -3.893 -12.026 -3.498 324 H ILE 45 H ILE 45 0.148 -10.577 -2.797 325 HA ILE 45 HA ILE 45 2.539 -11.330 -4.157 326 HB ILE 45 HB ILE 45 1.925 -9.399 -1.932 327 HG12 ILE 45 HG12 ILE 45 1.476 -8.994 -4.432 328 HG13 ILE 45 HG13 ILE 45 2.332 -7.740 -3.535 329 HG21 ILE 45 HG21 ILE 45 4.113 -10.249 -1.346 330 HG22 ILE 45 HG22 ILE 45 4.286 -8.623 -2.020 331 HG23 ILE 45 HG23 ILE 45 4.672 -10.034 -3.004 332 HD11 ILE 45 HD11 ILE 45 4.413 -8.421 -4.438 333 HD12 ILE 45 HD12 ILE 45 3.260 -8.225 -5.762 334 HD13 ILE 45 HD13 ILE 45 3.681 -9.840 -5.193 335 H GLY 46 H GLY 46 1.404 -11.625 -0.843 336 HA2 GLY 46 HA2 GLY 46 2.635 -14.074 -0.287 337 HA3 GLY 46 HA3 GLY 46 3.707 -12.786 0.262 338 H GLU 47 H GLU 47 3.223 -13.752 2.439 339 HA GLU 47 HA GLU 47 0.581 -13.463 3.433 340 HB2 GLU 47 HB2 GLU 47 1.661 -13.876 5.654 341 HB3 GLU 47 HB3 GLU 47 1.951 -15.123 4.432 342 HG2 GLU 47 HG2 GLU 47 3.810 -12.912 4.517 343 HG3 GLU 47 HG3 GLU 47 3.849 -13.992 5.901 344 H VAL 48 H VAL 48 -0.152 -12.026 4.940 345 HA VAL 48 HA VAL 48 1.151 -9.386 4.874 346 HB VAL 48 HB VAL 48 -1.776 -10.002 4.409 347 HG11 VAL 48 HG11 VAL 48 -2.039 -7.518 4.255 348 HG12 VAL 48 HG12 VAL 48 -0.444 -7.375 4.999 349 HG13 VAL 48 HG13 VAL 48 -1.763 -8.142 5.881 350 HG21 VAL 48 HG21 VAL 48 -0.371 -10.173 2.426 351 HG22 VAL 48 HG22 VAL 48 0.258 -8.554 2.723 352 HG23 VAL 48 HG23 VAL 48 -1.443 -8.778 2.317 353 H GLU 49 H GLU 49 1.598 -8.692 6.688 354 HA GLU 49 HA GLU 49 1.006 -9.959 9.087 355 HB2 GLU 49 HB2 GLU 49 2.982 -8.593 8.496 356 HB3 GLU 49 HB3 GLU 49 1.979 -7.165 8.713 357 HG2 GLU 49 HG2 GLU 49 2.189 -9.211 10.868 358 HG3 GLU 49 HG3 GLU 49 3.466 -8.046 10.626 359 H SER 50 H SER 50 -0.102 -6.840 7.739 360 HA SER 50 HA SER 50 -2.764 -7.321 8.694 361 HB2 SER 50 HB2 SER 50 -2.869 -5.251 10.120 362 HB3 SER 50 HB3 SER 50 -1.900 -6.555 10.803 363 HG SER 50 HG SER 50 -0.056 -5.466 10.332 364 H ALA 51 H ALA 51 -4.156 -6.380 7.283 365 HA ALA 51 HA ALA 51 -3.115 -4.108 5.737 366 HB1 ALA 51 HB1 ALA 51 -4.334 -4.793 3.814 367 HB2 ALA 51 HB2 ALA 51 -5.137 -6.089 4.712 368 HB3 ALA 51 HB3 ALA 51 -3.403 -6.176 4.391 369 H LYS 52 H LYS 52 -4.097 -2.272 5.953 370 HA LYS 52 HA LYS 52 -6.780 -2.239 7.141 371 HB2 LYS 52 HB2 LYS 52 -4.919 -1.182 8.401 372 HB3 LYS 52 HB3 LYS 52 -4.655 -0.097 7.045 373 HG2 LYS 52 HG2 LYS 52 -7.107 0.577 7.382 374 HG3 LYS 52 HG3 LYS 52 -6.923 -0.173 8.973 375 HD2 LYS 52 HD2 LYS 52 -5.071 1.910 7.867 376 HD3 LYS 52 HD3 LYS 52 -6.444 2.283 8.914 377 HE2 LYS 52 HE2 LYS 52 -4.116 0.495 9.607 378 HE3 LYS 52 HE3 LYS 52 -4.324 2.157 10.152 379 HZ1 LYS 52 HZ1 LYS 52 -6.138 -0.110 10.786 380 HZ2 LYS 52 HZ2 LYS 52 -6.336 1.482 11.313 381 HZ3 LYS 52 HZ3 LYS 52 -5.013 0.577 11.843 382 H LEU 53 H LEU 53 -8.407 -1.392 6.001 383 HA LEU 53 HA LEU 53 -7.811 0.134 3.560 384 HB2 LEU 53 HB2 LEU 53 -9.232 -1.770 3.118 385 HB3 LEU 53 HB3 LEU 53 -10.296 -1.337 4.441 386 HG LEU 53 HG LEU 53 -10.360 0.920 2.875 387 HD11 LEU 53 HD11 LEU 53 -10.316 -1.510 1.068 388 HD12 LEU 53 HD12 LEU 53 -9.137 -0.192 1.090 389 HD13 LEU 53 HD13 LEU 53 -10.804 0.121 0.595 390 HD21 LEU 53 HD21 LEU 53 -12.208 -1.472 2.806 391 HD22 LEU 53 HD22 LEU 53 -12.612 0.159 2.273 392 HD23 LEU 53 HD23 LEU 53 -12.257 -0.151 3.972 393 H ILE 54 H ILE 54 -8.499 2.210 3.418 394 HA ILE 54 HA ILE 54 -9.619 3.306 5.883 395 HB ILE 54 HB ILE 54 -8.557 4.806 3.508 396 HG12 ILE 54 HG12 ILE 54 -6.711 3.593 4.429 397 HG13 ILE 54 HG13 ILE 54 -6.566 5.248 4.995 398 HG21 ILE 54 HG21 ILE 54 -8.532 6.727 5.008 399 HG22 ILE 54 HG22 ILE 54 -9.146 5.722 6.322 400 HG23 ILE 54 HG23 ILE 54 -10.153 6.036 4.909 401 HD11 ILE 54 HD11 ILE 54 -7.448 4.592 7.160 402 HD12 ILE 54 HD12 ILE 54 -6.032 3.628 6.737 403 HD13 ILE 54 HD13 ILE 54 -7.646 2.936 6.589 404 H ARG 55 H ARG 55 -11.701 3.473 5.979 405 HA ARG 55 HA ARG 55 -13.212 4.202 3.585 406 HB2 ARG 55 HB2 ARG 55 -13.199 1.686 4.026 407 HB3 ARG 55 HB3 ARG 55 -14.123 2.043 5.478 408 HG2 ARG 55 HG2 ARG 55 -15.941 2.875 4.227 409 HG3 ARG 55 HG3 ARG 55 -14.998 2.881 2.739 410 HD2 ARG 55 HD2 ARG 55 -16.442 1.010 2.632 411 HD3 ARG 55 HD3 ARG 55 -14.818 0.389 2.959 412 HE ARG 55 HE ARG 55 -15.810 0.607 5.436 413 HH11 ARG 55 HH11 ARG 55 -17.160 -0.838 2.539 414 HH12 ARG 55 HH12 ARG 55 -18.138 -1.969 3.412 415 HH21 ARG 55 HH21 ARG 55 -17.093 -0.895 6.576 416 HH22 ARG 55 HH22 ARG 55 -18.096 -2.006 5.701 417 H ASP 56 H ASP 56 -15.276 5.121 4.070 418 HA ASP 56 HA ASP 56 -15.034 6.868 6.330 419 HB2 ASP 56 HB2 ASP 56 -15.907 7.590 4.090 420 HB3 ASP 56 HB3 ASP 56 -17.362 6.677 4.443 421 H LYS 57 H LYS 57 -16.175 6.935 8.096 422 HA LYS 57 HA LYS 57 -17.210 4.643 9.280 423 HB2 LYS 57 HB2 LYS 57 -18.288 6.709 10.744 424 HB3 LYS 57 HB3 LYS 57 -16.721 5.972 11.003 425 HG2 LYS 57 HG2 LYS 57 -16.545 8.381 10.969 426 HG3 LYS 57 HG3 LYS 57 -15.676 7.682 9.612 427 HD2 LYS 57 HD2 LYS 57 -17.480 8.273 8.096 428 HD3 LYS 57 HD3 LYS 57 -18.448 8.874 9.458 429 HE2 LYS 57 HE2 LYS 57 -15.823 9.994 8.485 430 HE3 LYS 57 HE3 LYS 57 -17.414 10.731 8.298 431 HZ1 LYS 57 HZ1 LYS 57 -16.001 10.246 10.867 432 HZ2 LYS 57 HZ2 LYS 57 -17.553 10.894 10.722 433 HZ3 LYS 57 HZ3 LYS 57 -16.224 11.743 10.116 434 H VAL 58 H VAL 58 -18.765 6.916 7.257 435 HA VAL 58 HA VAL 58 -21.402 6.117 8.281 436 HB VAL 58 HB VAL 58 -20.356 8.830 7.513 437 HG11 VAL 58 HG11 VAL 58 -23.224 8.009 7.935 438 HG12 VAL 58 HG12 VAL 58 -22.503 8.646 6.453 439 HG13 VAL 58 HG13 VAL 58 -22.649 9.675 7.880 440 HG21 VAL 58 HG21 VAL 58 -21.782 7.937 10.001 441 HG22 VAL 58 HG22 VAL 58 -20.885 9.434 9.739 442 HG23 VAL 58 HG23 VAL 58 -20.027 7.888 9.812 443 H ALA 59 H ALA 59 -19.755 7.666 5.574 444 HA ALA 59 HA ALA 59 -21.844 7.039 3.745 445 HB1 ALA 59 HB1 ALA 59 -19.059 8.016 3.198 446 HB2 ALA 59 HB2 ALA 59 -20.474 9.029 3.485 447 HB3 ALA 59 HB3 ALA 59 -20.394 8.006 2.047 448 H GLY 60 H GLY 60 -19.438 5.283 5.093 449 HA2 GLY 60 HA2 GLY 60 -18.649 3.157 4.800 450 HA3 GLY 60 HA3 GLY 60 -20.170 2.880 3.976 451 H HIS 61 H HIS 61 -17.700 5.096 2.805 452 HA HIS 61 HA HIS 61 -17.164 3.153 0.655 453 HB2 HIS 61 HB2 HIS 61 -17.312 4.775 -1.011 454 HB3 HIS 61 HB3 HIS 61 -18.582 5.291 0.088 455 HD1 HIS 61 HD1 HIS 61 -15.720 6.533 -1.710 456 HD2 HIS 61 HD2 HIS 61 -17.586 7.485 1.880 457 HE1 HIS 61 HE1 HIS 61 -14.944 8.852 -1.139 458 HE2 HIS 61 HE2 HIS 61 -16.151 9.446 0.990 459 H SER 62 H SER 62 -15.085 2.983 -0.082 460 HA SER 62 HA SER 62 -13.006 3.521 1.728 461 HB2 SER 62 HB2 SER 62 -12.827 1.711 0.110 462 HB3 SER 62 HB3 SER 62 -12.904 2.855 -1.226 463 HG SER 62 HG SER 62 -10.762 2.212 -0.760 464 H LEU 63 H LEU 63 -11.574 5.179 1.886 465 HA LEU 63 HA LEU 63 -12.374 7.621 0.545 466 HB2 LEU 63 HB2 LEU 63 -10.296 7.167 2.686 467 HB3 LEU 63 HB3 LEU 63 -10.844 8.730 2.111 468 HG LEU 63 HG LEU 63 -12.447 6.698 3.670 469 HD11 LEU 63 HD11 LEU 63 -10.914 8.066 4.981 470 HD12 LEU 63 HD12 LEU 63 -12.599 8.466 5.323 471 HD13 LEU 63 HD13 LEU 63 -11.628 9.526 4.298 472 HD21 LEU 63 HD21 LEU 63 -13.358 9.261 2.370 473 HD22 LEU 63 HD22 LEU 63 -14.276 8.370 3.581 474 HD23 LEU 63 HD23 LEU 63 -13.926 7.627 2.021 475 H GLY 64 H GLY 64 -10.449 5.168 -0.307 476 HA2 GLY 64 HA2 GLY 64 -9.447 5.235 -2.447 477 HA3 GLY 64 HA3 GLY 64 -9.132 6.944 -2.221 478 H TYR 65 H TYR 65 -8.292 4.805 0.372 479 HA TYR 65 HA TYR 65 -5.739 4.069 -0.607 480 HB2 TYR 65 HB2 TYR 65 -4.287 5.457 0.721 481 HB3 TYR 65 HB3 TYR 65 -5.329 6.496 -0.237 482 HD1 TYR 65 HD1 TYR 65 -7.491 7.351 1.027 483 HD2 TYR 65 HD2 TYR 65 -3.966 5.903 2.908 484 HE1 TYR 65 HE1 TYR 65 -8.066 8.603 3.059 485 HE2 TYR 65 HE2 TYR 65 -4.532 7.139 4.936 486 HH TYR 65 HH TYR 65 -7.579 8.532 5.478 487 H GLY 66 H GLY 66 -4.337 3.136 1.143 488 HA2 GLY 66 HA2 GLY 66 -5.617 2.377 3.609 489 HA3 GLY 66 HA3 GLY 66 -5.523 1.073 2.440 490 H PHE 67 H PHE 67 -4.242 0.332 4.479 491 HA PHE 67 HA PHE 67 -1.397 0.820 3.956 492 HB2 PHE 67 HB2 PHE 67 -2.658 0.977 6.710 493 HB3 PHE 67 HB3 PHE 67 -0.934 1.031 6.377 494 HD1 PHE 67 HD1 PHE 67 0.062 3.012 5.335 495 HD2 PHE 67 HD2 PHE 67 -4.054 2.882 6.398 496 HE1 PHE 67 HE1 PHE 67 -0.055 5.464 5.172 497 HE2 PHE 67 HE2 PHE 67 -4.180 5.332 6.231 498 HZ PHE 67 HZ PHE 67 -2.177 6.626 5.617 499 H VAL 68 H VAL 68 -0.800 -1.232 3.392 500 HA VAL 68 HA VAL 68 -1.603 -3.352 5.228 501 HB VAL 68 HB VAL 68 -2.367 -4.371 3.421 502 HG11 VAL 68 HG11 VAL 68 -1.849 -3.793 1.128 503 HG12 VAL 68 HG12 VAL 68 -0.594 -2.689 1.695 504 HG13 VAL 68 HG13 VAL 68 -2.289 -2.388 2.099 505 HG21 VAL 68 HG21 VAL 68 0.561 -4.767 2.816 506 HG22 VAL 68 HG22 VAL 68 -0.753 -5.688 2.084 507 HG23 VAL 68 HG23 VAL 68 -0.463 -5.800 3.820 508 H ASN 69 H ASN 69 -0.197 -3.880 6.599 509 HA ASN 69 HA ASN 69 2.643 -3.484 6.166 510 HB2 ASN 69 HB2 ASN 69 1.378 -3.015 8.356 511 HB3 ASN 69 HB3 ASN 69 1.307 -4.748 8.554 512 HD21 ASN 69 HD21 ASN 69 3.040 -5.828 9.278 513 HD22 ASN 69 HD22 ASN 69 4.543 -5.094 9.696 514 H TYR 70 H TYR 70 3.835 -5.034 5.272 515 HA TYR 70 HA TYR 70 2.820 -7.739 5.126 516 HB2 TYR 70 HB2 TYR 70 5.162 -6.280 3.975 517 HB3 TYR 70 HB3 TYR 70 5.205 -8.032 4.060 518 HD1 TYR 70 HD1 TYR 70 3.336 -9.329 2.954 519 HD2 TYR 70 HD2 TYR 70 4.037 -5.200 2.205 520 HE1 TYR 70 HE1 TYR 70 2.091 -9.503 0.848 521 HE2 TYR 70 HE2 TYR 70 2.790 -5.368 0.108 522 HH TYR 70 HH TYR 70 2.266 -7.321 -1.555 523 H VAL 71 H VAL 71 4.278 -9.563 5.655 524 HA VAL 71 HA VAL 71 5.218 -9.338 8.353 525 HB VAL 71 HB VAL 71 5.717 -11.685 8.224 526 HG11 VAL 71 HG11 VAL 71 3.541 -12.586 7.422 527 HG12 VAL 71 HG12 VAL 71 3.197 -11.008 6.712 528 HG13 VAL 71 HG13 VAL 71 3.377 -11.164 8.459 529 HG21 VAL 71 HG21 VAL 71 5.616 -12.953 6.143 530 HG22 VAL 71 HG22 VAL 71 6.845 -11.695 6.058 531 HG23 VAL 71 HG23 VAL 71 5.298 -11.468 5.245 532 H THR 72 H THR 72 6.523 -9.063 5.211 533 HA THR 72 HA THR 72 9.277 -8.849 6.244 534 HB THR 72 HB THR 72 9.900 -9.343 3.809 535 HG1 THR 72 HG1 THR 72 7.958 -10.905 3.100 536 HG21 THR 72 HG21 THR 72 8.692 -11.565 5.442 537 HG22 THR 72 HG22 THR 72 10.352 -10.972 5.527 538 HG23 THR 72 HG23 THR 72 9.775 -11.775 4.061 539 H ALA 73 H ALA 73 10.590 -7.245 5.121 540 HA ALA 73 HA ALA 73 9.093 -5.144 3.768 541 HB1 ALA 73 HB1 ALA 73 10.921 -4.488 5.261 542 HB2 ALA 73 HB2 ALA 73 11.250 -3.980 3.606 543 HB3 ALA 73 HB3 ALA 73 12.066 -5.398 4.272 544 H LYS 74 H LYS 74 10.678 -8.017 3.163 545 HA LYS 74 HA LYS 74 11.549 -7.783 0.510 546 HB2 LYS 74 HB2 LYS 74 12.273 -9.621 1.812 547 HB3 LYS 74 HB3 LYS 74 10.627 -10.090 2.200 548 HG2 LYS 74 HG2 LYS 74 11.030 -10.113 -0.636 549 HG3 LYS 74 HG3 LYS 74 12.248 -11.099 0.182 550 HD2 LYS 74 HD2 LYS 74 10.687 -12.530 1.072 551 HD3 LYS 74 HD3 LYS 74 9.392 -11.333 1.006 552 HE2 LYS 74 HE2 LYS 74 8.922 -12.932 -0.681 553 HE3 LYS 74 HE3 LYS 74 9.526 -11.484 -1.488 554 HZ1 LYS 74 HZ1 LYS 74 11.172 -13.876 -0.871 555 HZ2 LYS 74 HZ2 LYS 74 11.659 -12.517 -1.751 556 HZ3 LYS 74 HZ3 LYS 74 10.475 -13.547 -2.378 557 H ASP 75 H ASP 75 8.462 -9.148 1.718 558 HA ASP 75 HA ASP 75 7.345 -9.228 -0.921 559 HB2 ASP 75 HB2 ASP 75 6.099 -9.579 1.814 560 HB3 ASP 75 HB3 ASP 75 5.195 -9.745 0.313 561 H ALA 76 H ALA 76 7.676 -6.803 1.454 562 HA ALA 76 HA ALA 76 5.534 -5.108 0.697 563 HB1 ALA 76 HB1 ALA 76 8.230 -4.401 1.869 564 HB2 ALA 76 HB2 ALA 76 6.768 -4.779 2.778 565 HB3 ALA 76 HB3 ALA 76 6.833 -3.327 1.782 566 H GLU 77 H GLU 77 9.002 -4.908 -0.161 567 HA GLU 77 HA GLU 77 8.735 -3.119 -2.304 568 HB2 GLU 77 HB2 GLU 77 10.911 -3.623 -1.411 569 HB3 GLU 77 HB3 GLU 77 10.722 -5.335 -1.760 570 HG2 GLU 77 HG2 GLU 77 10.699 -4.803 -4.162 571 HG3 GLU 77 HG3 GLU 77 11.015 -3.114 -3.764 572 H ARG 78 H ARG 78 8.220 -6.563 -2.055 573 HA ARG 78 HA ARG 78 8.141 -7.227 -4.776 574 HB2 ARG 78 HB2 ARG 78 8.205 -8.727 -2.708 575 HB3 ARG 78 HB3 ARG 78 6.472 -8.471 -2.620 576 HG2 ARG 78 HG2 ARG 78 6.145 -9.548 -4.721 577 HG3 ARG 78 HG3 ARG 78 7.887 -9.665 -4.978 578 HD2 ARG 78 HD2 ARG 78 8.064 -11.064 -2.964 579 HD3 ARG 78 HD3 ARG 78 6.318 -10.989 -2.773 580 HE ARG 78 HE ARG 78 7.070 -11.974 -5.337 581 HH11 ARG 78 HH11 ARG 78 6.628 -12.849 -1.970 582 HH12 ARG 78 HH12 ARG 78 6.458 -14.546 -2.308 583 HH21 ARG 78 HH21 ARG 78 6.833 -14.205 -5.788 584 HH22 ARG 78 HH22 ARG 78 6.576 -15.317 -4.482 585 H ALA 79 H ALA 79 5.705 -6.084 -2.490 586 HA ALA 79 HA ALA 79 3.543 -6.243 -4.301 587 HB1 ALA 79 HB1 ALA 79 2.294 -4.935 -2.691 588 HB2 ALA 79 HB2 ALA 79 3.789 -4.466 -1.874 589 HB3 ALA 79 HB3 ALA 79 3.262 -6.147 -1.851 590 H ILE 80 H ILE 80 5.892 -3.760 -3.532 591 HA ILE 80 HA ILE 80 4.567 -1.697 -4.954 592 HB ILE 80 HB ILE 80 7.477 -1.852 -4.311 593 HG12 ILE 80 HG12 ILE 80 5.239 -0.639 -2.685 594 HG13 ILE 80 HG13 ILE 80 5.984 -2.191 -2.329 595 HG21 ILE 80 HG21 ILE 80 6.801 -0.165 -5.955 596 HG22 ILE 80 HG22 ILE 80 7.384 0.557 -4.450 597 HG23 ILE 80 HG23 ILE 80 5.648 0.487 -4.786 598 HD11 ILE 80 HD11 ILE 80 8.099 -1.113 -1.941 599 HD12 ILE 80 HD12 ILE 80 6.844 -0.401 -0.929 600 HD13 ILE 80 HD13 ILE 80 7.404 0.447 -2.370 601 H ASN 81 H ASN 81 6.998 -4.079 -5.908 602 HA ASN 81 HA ASN 81 7.233 -2.740 -8.471 603 HB2 ASN 81 HB2 ASN 81 8.897 -4.495 -9.007 604 HB3 ASN 81 HB3 ASN 81 9.281 -3.552 -7.571 605 HD21 ASN 81 HD21 ASN 81 10.525 -4.919 -6.500 606 HD22 ASN 81 HD22 ASN 81 10.030 -6.473 -5.934 607 H THR 82 H THR 82 5.651 -5.438 -7.066 608 HA THR 82 HA THR 82 4.999 -6.570 -9.633 609 HB THR 82 HB THR 82 4.518 -7.415 -6.804 610 HG1 THR 82 HG1 THR 82 6.540 -7.879 -7.687 611 HG21 THR 82 HG21 THR 82 3.515 -9.526 -7.829 612 HG22 THR 82 HG22 THR 82 3.272 -8.571 -9.294 613 HG23 THR 82 HG23 THR 82 2.483 -8.095 -7.782 614 H LEU 83 H LEU 83 3.098 -5.452 -6.806 615 HA LEU 83 HA LEU 83 0.678 -5.561 -8.338 616 HB2 LEU 83 HB2 LEU 83 1.203 -4.563 -5.551 617 HB3 LEU 83 HB3 LEU 83 -0.368 -4.736 -6.277 618 HG LEU 83 HG LEU 83 1.536 -7.002 -5.714 619 HD11 LEU 83 HD11 LEU 83 0.755 -6.600 -3.630 620 HD12 LEU 83 HD12 LEU 83 -0.637 -7.514 -4.229 621 HD13 LEU 83 HD13 LEU 83 -0.671 -5.749 -4.210 622 HD21 LEU 83 HD21 LEU 83 -0.383 -8.434 -6.275 623 HD22 LEU 83 HD22 LEU 83 0.182 -7.491 -7.656 624 HD23 LEU 83 HD23 LEU 83 -1.277 -7.005 -6.793 625 H ASN 84 H ASN 84 2.611 -2.961 -6.834 626 HA ASN 84 HA ASN 84 0.909 -0.873 -6.918 627 HB2 ASN 84 HB2 ASN 84 3.110 -0.688 -5.987 628 HB3 ASN 84 HB3 ASN 84 3.850 -0.877 -7.575 629 HD21 ASN 84 HD21 ASN 84 4.978 1.042 -7.235 630 HD22 ASN 84 HD22 ASN 84 4.217 2.578 -7.400 631 H GLY 85 H GLY 85 -0.393 -0.103 -8.338 632 HA2 GLY 85 HA2 GLY 85 -1.014 0.838 -10.422 633 HA3 GLY 85 HA3 GLY 85 0.338 0.012 -11.178 634 H LEU 86 H LEU 86 -1.597 -1.724 -8.910 635 HA LEU 86 HA LEU 86 -2.398 -3.581 -10.967 636 HB2 LEU 86 HB2 LEU 86 -1.666 -3.968 -8.436 637 HB3 LEU 86 HB3 LEU 86 -3.380 -3.765 -8.153 638 HG LEU 86 HG LEU 86 -2.742 -6.128 -8.307 639 HD11 LEU 86 HD11 LEU 86 -4.995 -5.525 -8.947 640 HD12 LEU 86 HD12 LEU 86 -4.403 -6.843 -9.960 641 HD13 LEU 86 HD13 LEU 86 -4.458 -5.197 -10.595 642 HD21 LEU 86 HD21 LEU 86 -1.977 -5.499 -11.153 643 HD22 LEU 86 HD22 LEU 86 -1.999 -7.095 -10.404 644 HD23 LEU 86 HD23 LEU 86 -0.857 -5.873 -9.845 645 H ARG 87 H ARG 87 -4.330 -3.727 -11.893 646 HA ARG 87 HA ARG 87 -6.263 -1.677 -11.453 647 HB2 ARG 87 HB2 ARG 87 -5.638 -2.810 -13.666 648 HB3 ARG 87 HB3 ARG 87 -6.625 -4.158 -13.122 649 HG2 ARG 87 HG2 ARG 87 -7.980 -2.834 -14.529 650 HG3 ARG 87 HG3 ARG 87 -8.512 -2.550 -12.872 651 HD2 ARG 87 HD2 ARG 87 -8.396 -0.460 -14.128 652 HD3 ARG 87 HD3 ARG 87 -7.234 -0.472 -12.801 653 HE ARG 87 HE ARG 87 -5.725 -1.324 -14.834 654 HH11 ARG 87 HH11 ARG 87 -7.971 1.351 -14.623 655 HH12 ARG 87 HH12 ARG 87 -7.101 2.337 -15.755 656 HH21 ARG 87 HH21 ARG 87 -4.578 -0.038 -16.323 657 HH22 ARG 87 HH22 ARG 87 -5.170 1.543 -16.727 658 H LEU 88 H LEU 88 -6.973 -1.961 -9.355 659 HA LEU 88 HA LEU 88 -8.324 -4.442 -8.640 660 HB2 LEU 88 HB2 LEU 88 -7.270 -2.103 -7.201 661 HB3 LEU 88 HB3 LEU 88 -8.769 -2.755 -6.564 662 HG LEU 88 HG LEU 88 -6.266 -4.382 -7.002 663 HD11 LEU 88 HD11 LEU 88 -6.139 -2.568 -5.239 664 HD12 LEU 88 HD12 LEU 88 -5.849 -4.220 -4.692 665 HD13 LEU 88 HD13 LEU 88 -7.406 -3.446 -4.387 666 HD21 LEU 88 HD21 LEU 88 -8.323 -5.674 -7.108 667 HD22 LEU 88 HD22 LEU 88 -8.865 -4.955 -5.590 668 HD23 LEU 88 HD23 LEU 88 -7.455 -6.017 -5.610 669 H GLN 89 H GLN 89 -10.317 -4.638 -9.430 670 HA GLN 89 HA GLN 89 -12.481 -4.195 -9.966 671 HB2 GLN 89 HB2 GLN 89 -12.177 -2.199 -7.756 672 HB3 GLN 89 HB3 GLN 89 -13.715 -2.758 -8.394 673 HG2 GLN 89 HG2 GLN 89 -13.174 -5.032 -7.655 674 HG3 GLN 89 HG3 GLN 89 -11.648 -4.443 -7.003 675 HE21 GLN 89 HE21 GLN 89 -12.872 -1.948 -6.087 676 HE22 GLN 89 HE22 GLN 89 -13.784 -2.351 -4.679 677 H SER 90 H SER 90 -10.532 -2.887 -11.428 678 HA SER 90 HA SER 90 -10.524 -1.597 -13.299 679 HB2 SER 90 HB2 SER 90 -12.363 -0.378 -14.049 680 HB3 SER 90 HB3 SER 90 -13.100 -1.618 -13.038 681 HG SER 90 HG SER 90 -13.162 -0.062 -11.337 682 H LYS 91 H LYS 91 -10.161 -0.663 -10.198 683 HA LYS 91 HA LYS 91 -9.298 2.074 -10.843 684 HB2 LYS 91 HB2 LYS 91 -10.636 0.949 -8.639 685 HB3 LYS 91 HB3 LYS 91 -9.020 1.328 -8.071 686 HG2 LYS 91 HG2 LYS 91 -10.806 3.294 -9.446 687 HG3 LYS 91 HG3 LYS 91 -10.650 3.127 -7.698 688 HD2 LYS 91 HD2 LYS 91 -8.060 3.283 -8.414 689 HD3 LYS 91 HD3 LYS 91 -8.803 4.300 -9.652 690 HE2 LYS 91 HE2 LYS 91 -10.097 5.245 -7.562 691 HE3 LYS 91 HE3 LYS 91 -8.674 4.661 -6.709 692 HZ1 LYS 91 HZ1 LYS 91 -8.400 6.965 -7.352 693 HZ2 LYS 91 HZ2 LYS 91 -8.673 6.580 -8.977 694 HZ3 LYS 91 HZ3 LYS 91 -7.296 5.997 -8.193 695 H THR 92 H THR 92 -7.142 2.635 -10.788 696 HA THR 92 HA THR 92 -5.280 0.426 -10.374 697 HB THR 92 HB THR 92 -4.147 2.969 -11.270 698 HG1 THR 92 HG1 THR 92 -5.059 2.583 -13.443 699 HG21 THR 92 HG21 THR 92 -4.063 0.139 -12.316 700 HG22 THR 92 HG22 THR 92 -2.855 0.914 -11.288 701 HG23 THR 92 HG23 THR 92 -3.100 1.476 -12.944 702 H ILE 93 H ILE 93 -4.160 0.248 -8.598 703 HA ILE 93 HA ILE 93 -4.297 2.372 -6.610 704 HB ILE 93 HB ILE 93 -3.671 0.667 -5.024 705 HG12 ILE 93 HG12 ILE 93 -3.295 -1.071 -7.474 706 HG13 ILE 93 HG13 ILE 93 -2.040 -0.547 -6.359 707 HG21 ILE 93 HG21 ILE 93 -6.021 0.869 -5.910 708 HG22 ILE 93 HG22 ILE 93 -5.618 -0.686 -5.176 709 HG23 ILE 93 HG23 ILE 93 -5.666 -0.527 -6.934 710 HD11 ILE 93 HD11 ILE 93 -3.131 -1.843 -4.581 711 HD12 ILE 93 HD12 ILE 93 -2.596 -2.832 -5.941 712 HD13 ILE 93 HD13 ILE 93 -4.301 -2.419 -5.767 713 H LYS 94 H LYS 94 -2.366 2.716 -5.187 714 HA LYS 94 HA LYS 94 0.162 2.157 -6.562 715 HB2 LYS 94 HB2 LYS 94 -0.493 4.518 -7.045 716 HB3 LYS 94 HB3 LYS 94 -0.455 4.844 -5.317 717 HG2 LYS 94 HG2 LYS 94 1.890 4.355 -5.216 718 HG3 LYS 94 HG3 LYS 94 1.892 3.828 -6.898 719 HD2 LYS 94 HD2 LYS 94 1.333 6.626 -5.922 720 HD3 LYS 94 HD3 LYS 94 2.819 6.072 -6.694 721 HE2 LYS 94 HE2 LYS 94 1.293 5.382 -8.648 722 HE3 LYS 94 HE3 LYS 94 0.090 6.423 -7.891 723 HZ1 LYS 94 HZ1 LYS 94 1.179 7.780 -9.414 724 HZ2 LYS 94 HZ2 LYS 94 2.708 7.165 -9.039 725 HZ3 LYS 94 HZ3 LYS 94 1.914 8.184 -7.941 726 H VAL 95 H VAL 95 1.251 0.918 -5.262 727 HA VAL 95 HA VAL 95 0.936 1.241 -2.369 728 HB VAL 95 HB VAL 95 0.837 -0.950 -2.206 729 HG11 VAL 95 HG11 VAL 95 0.591 -2.357 -4.176 730 HG12 VAL 95 HG12 VAL 95 1.181 -1.031 -5.172 731 HG13 VAL 95 HG13 VAL 95 -0.339 -0.858 -4.294 732 HG21 VAL 95 HG21 VAL 95 3.163 -1.143 -1.962 733 HG22 VAL 95 HG22 VAL 95 3.422 -1.004 -3.696 734 HG23 VAL 95 HG23 VAL 95 2.652 -2.448 -3.035 735 H SER 96 H SER 96 2.587 1.683 -1.089 736 HA SER 96 HA SER 96 5.342 1.498 -1.882 737 HB2 SER 96 HB2 SER 96 4.080 4.221 -1.403 738 HB3 SER 96 HB3 SER 96 5.811 3.920 -1.548 739 HG SER 96 HG SER 96 4.386 2.894 -3.644 740 H TYR 97 H TYR 97 6.737 2.163 -0.002 741 HA TYR 97 HA TYR 97 5.813 1.304 2.507 742 HB2 TYR 97 HB2 TYR 97 8.028 3.289 2.001 743 HB3 TYR 97 HB3 TYR 97 7.825 2.256 3.412 744 HD1 TYR 97 HD1 TYR 97 8.252 -0.140 3.258 745 HD2 TYR 97 HD2 TYR 97 8.924 2.440 -0.024 746 HE1 TYR 97 HE1 TYR 97 9.662 -1.856 2.208 747 HE2 TYR 97 HE2 TYR 97 10.325 0.757 -1.109 748 HH TYR 97 HH TYR 97 11.676 -1.181 -0.465 749 H ALA 98 H ALA 98 4.312 2.231 3.742 750 HA ALA 98 HA ALA 98 3.457 4.925 3.363 751 HB1 ALA 98 HB1 ALA 98 2.031 3.007 4.218 752 HB2 ALA 98 HB2 ALA 98 1.887 4.527 5.097 753 HB3 ALA 98 HB3 ALA 98 2.851 3.208 5.767 754 H ARG 99 H ARG 99 4.287 6.716 4.224 755 HA ARG 99 HA ARG 99 6.779 6.781 5.421 756 HB2 ARG 99 HB2 ARG 99 4.581 8.854 5.554 757 HB3 ARG 99 HB3 ARG 99 6.259 9.149 5.979 758 HG2 ARG 99 HG2 ARG 99 5.339 8.269 3.254 759 HG3 ARG 99 HG3 ARG 99 5.610 9.947 3.719 760 HD2 ARG 99 HD2 ARG 99 7.673 7.745 3.737 761 HD3 ARG 99 HD3 ARG 99 7.532 9.018 2.528 762 HE ARG 99 HE ARG 99 8.015 9.694 5.350 763 HH11 ARG 99 HH11 ARG 99 9.014 9.766 1.995 764 HH12 ARG 99 HH12 ARG 99 10.325 10.866 2.278 765 HH21 ARG 99 HH21 ARG 99 9.764 11.117 5.732 766 HH22 ARG 99 HH22 ARG 99 10.757 11.628 4.402 767 HA PRO 100 HA PRO 100 5.533 5.524 9.591 768 HB2 PRO 100 HB2 PRO 100 8.454 5.549 10.004 769 HB3 PRO 100 HB3 PRO 100 7.298 4.238 10.245 770 HG2 PRO 100 HG2 PRO 100 9.026 4.179 8.217 771 HG3 PRO 100 HG3 PRO 100 7.362 3.580 8.028 772 HD2 PRO 100 HD2 PRO 100 8.536 6.216 7.194 773 HD3 PRO 100 HD3 PRO 100 7.467 5.127 6.288 774 H SER 101 H SER 101 5.034 6.929 11.137 775 HA SER 101 HA SER 101 6.649 8.777 12.280 776 HB2 SER 101 HB2 SER 101 6.439 9.844 10.025 777 HB3 SER 101 HB3 SER 101 4.729 10.081 10.367 778 HG SER 101 HG SER 101 5.542 11.922 11.100 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -0.860 5.346 -19.341 2 H2 GLY 1 H2 GLY 1 -0.717 6.950 -18.830 3 H3 GLY 1 H3 GLY 1 -0.685 5.694 -17.698 4 HA2 GLY 1 HA2 GLY 1 1.355 6.200 -19.787 5 HA3 GLY 1 HA3 GLY 1 1.534 6.542 -18.072 6 H HIS 2 H HIS 2 3.477 5.086 -18.628 7 HA HIS 2 HA HIS 2 2.962 2.276 -18.882 8 HB2 HIS 2 HB2 HIS 2 5.459 3.775 -18.058 9 HB3 HIS 2 HB3 HIS 2 5.385 2.030 -18.248 10 HD1 HIS 2 HD1 HIS 2 5.700 1.115 -20.557 11 HD2 HIS 2 HD2 HIS 2 5.114 5.229 -20.529 12 HE1 HIS 2 HE1 HIS 2 6.168 1.883 -22.906 13 HE2 HIS 2 HE2 HIS 2 5.644 4.346 -22.900 14 H MET 3 H MET 3 4.148 4.312 -16.237 15 HA MET 3 HA MET 3 2.550 2.982 -14.288 16 HB2 MET 3 HB2 MET 3 4.331 1.291 -14.519 17 HB3 MET 3 HB3 MET 3 5.542 2.519 -14.190 18 HG2 MET 3 HG2 MET 3 4.579 2.839 -11.951 19 HG3 MET 3 HG3 MET 3 3.417 1.556 -12.288 20 HE1 MET 3 HE1 MET 3 4.168 0.310 -10.077 21 HE2 MET 3 HE2 MET 3 5.346 1.579 -9.736 22 HE3 MET 3 HE3 MET 3 5.838 -0.115 -9.705 23 H SER 4 H SER 4 5.587 4.778 -14.706 24 HA SER 4 HA SER 4 6.418 6.647 -13.728 25 HB2 SER 4 HB2 SER 4 4.507 7.633 -14.975 26 HB3 SER 4 HB3 SER 4 3.496 7.432 -13.548 27 HG SER 4 HG SER 4 5.871 8.769 -13.101 28 H ASN 5 H ASN 5 6.986 5.139 -11.949 29 HA ASN 5 HA ASN 5 5.334 5.223 -9.578 30 HB2 ASN 5 HB2 ASN 5 6.686 3.198 -10.291 31 HB3 ASN 5 HB3 ASN 5 8.128 4.091 -9.820 32 HD21 ASN 5 HD21 ASN 5 8.447 4.579 -7.612 33 HD22 ASN 5 HD22 ASN 5 7.632 3.697 -6.370 34 H GLY 6 H GLY 6 5.530 7.648 -9.655 35 HA2 GLY 6 HA2 GLY 6 7.974 8.668 -8.439 36 HA3 GLY 6 HA3 GLY 6 6.555 9.610 -8.886 37 H TYR 7 H TYR 7 4.914 9.884 -7.466 38 HA TYR 7 HA TYR 7 3.823 10.039 -5.497 39 HB2 TYR 7 HB2 TYR 7 4.829 7.222 -4.999 40 HB3 TYR 7 HB3 TYR 7 3.418 7.990 -4.281 41 HD1 TYR 7 HD1 TYR 7 4.681 6.142 -7.104 42 HD2 TYR 7 HD2 TYR 7 1.438 8.563 -5.755 43 HE1 TYR 7 HE1 TYR 7 3.295 5.319 -8.961 44 HE2 TYR 7 HE2 TYR 7 0.056 7.743 -7.613 45 HH TYR 7 HH TYR 7 0.558 6.786 -9.992 46 H GLU 8 H GLU 8 5.178 11.667 -4.673 47 HA GLU 8 HA GLU 8 7.537 11.255 -3.251 48 HB2 GLU 8 HB2 GLU 8 6.729 13.468 -3.978 49 HB3 GLU 8 HB3 GLU 8 5.467 13.402 -2.750 50 HG2 GLU 8 HG2 GLU 8 7.224 13.283 -1.022 51 HG3 GLU 8 HG3 GLU 8 8.434 13.445 -2.293 52 H ASP 9 H ASP 9 7.957 10.352 -1.395 53 HA ASP 9 HA ASP 9 6.313 9.833 0.781 54 HB2 ASP 9 HB2 ASP 9 4.775 8.702 -0.664 55 HB3 ASP 9 HB3 ASP 9 6.081 7.902 -1.524 56 H HIS 10 H HIS 10 8.229 8.107 -1.488 57 HA HIS 10 HA HIS 10 10.595 8.196 0.164 58 HB2 HIS 10 HB2 HIS 10 10.968 5.840 0.320 59 HB3 HIS 10 HB3 HIS 10 9.317 6.092 0.853 60 HD1 HIS 10 HD1 HIS 10 7.397 5.426 -0.865 61 HD2 HIS 10 HD2 HIS 10 11.238 4.142 -1.845 62 HE1 HIS 10 HE1 HIS 10 7.105 3.712 -2.715 63 HE2 HIS 10 HE2 HIS 10 9.438 2.894 -3.219 64 H MET 11 H MET 11 9.277 8.986 -2.410 65 HA MET 11 HA MET 11 10.346 7.667 -4.616 66 HB2 MET 11 HB2 MET 11 8.449 9.074 -4.889 67 HB3 MET 11 HB3 MET 11 9.272 10.444 -4.163 68 HG2 MET 11 HG2 MET 11 10.527 9.365 -6.568 69 HG3 MET 11 HG3 MET 11 8.938 10.082 -6.812 70 HE1 MET 11 HE1 MET 11 8.346 12.590 -6.306 71 HE2 MET 11 HE2 MET 11 9.463 13.748 -5.587 72 HE3 MET 11 HE3 MET 11 8.850 12.403 -4.628 73 H ALA 12 H ALA 12 11.413 10.606 -2.940 74 HA ALA 12 HA ALA 12 13.932 10.493 -4.433 75 HB1 ALA 12 HB1 ALA 12 12.749 12.633 -4.449 76 HB2 ALA 12 HB2 ALA 12 14.301 12.768 -3.621 77 HB3 ALA 12 HB3 ALA 12 12.809 12.682 -2.687 78 H GLU 13 H GLU 13 13.444 8.533 -2.478 79 HA GLU 13 HA GLU 13 14.410 7.494 -0.693 80 HB2 GLU 13 HB2 GLU 13 16.561 9.594 -0.668 81 HB3 GLU 13 HB3 GLU 13 16.683 7.893 -0.239 82 HG2 GLU 13 HG2 GLU 13 16.341 7.310 -2.604 83 HG3 GLU 13 HG3 GLU 13 16.324 9.031 -2.988 84 H ASP 14 H ASP 14 16.123 9.423 1.111 85 HA ASP 14 HA ASP 14 15.877 11.156 2.603 86 HB2 ASP 14 HB2 ASP 14 14.525 12.340 0.976 87 HB3 ASP 14 HB3 ASP 14 13.124 11.346 1.381 88 H CYS 15 H CYS 15 12.854 9.401 2.317 89 HA CYS 15 HA CYS 15 12.340 9.563 5.129 90 HB2 CYS 15 HB2 CYS 15 10.912 8.192 2.851 91 HB3 CYS 15 HB3 CYS 15 10.293 8.336 4.509 92 HG CYS 15 HG CYS 15 11.197 11.287 3.271 93 H ARG 16 H ARG 16 11.589 7.546 6.259 94 HA ARG 16 HA ARG 16 13.863 5.763 6.243 95 HB2 ARG 16 HB2 ARG 16 11.540 6.067 8.152 96 HB3 ARG 16 HB3 ARG 16 12.830 4.890 8.360 97 HG2 ARG 16 HG2 ARG 16 13.334 6.754 9.734 98 HG3 ARG 16 HG3 ARG 16 14.456 6.785 8.377 99 HD2 ARG 16 HD2 ARG 16 12.744 8.384 7.284 100 HD3 ARG 16 HD3 ARG 16 12.089 8.550 8.914 101 HE ARG 16 HE ARG 16 14.753 9.014 9.237 102 HH11 ARG 16 HH11 ARG 16 12.260 10.393 7.201 103 HH12 ARG 16 HH12 ARG 16 13.018 11.949 7.109 104 HH21 ARG 16 HH21 ARG 16 15.758 11.066 9.104 105 HH22 ARG 16 HH22 ARG 16 15.008 12.329 8.181 106 H GLY 17 H GLY 17 13.266 4.828 4.191 107 HA2 GLY 17 HA2 GLY 17 11.254 2.700 4.531 108 HA3 GLY 17 HA3 GLY 17 11.376 3.623 3.042 109 H ASP 18 H ASP 18 14.059 2.423 5.016 110 HA ASP 18 HA ASP 18 14.543 0.251 3.148 111 HB2 ASP 18 HB2 ASP 18 15.616 2.424 2.241 112 HB3 ASP 18 HB3 ASP 18 16.768 2.241 3.561 113 H ILE 19 H ILE 19 14.006 0.809 6.032 114 HA ILE 19 HA ILE 19 16.409 -0.215 7.319 115 HB ILE 19 HB ILE 19 14.254 0.024 9.167 116 HG12 ILE 19 HG12 ILE 19 14.528 2.736 8.593 117 HG13 ILE 19 HG13 ILE 19 14.200 1.990 7.043 118 HG21 ILE 19 HG21 ILE 19 16.789 1.591 8.748 119 HG22 ILE 19 HG22 ILE 19 16.571 0.177 9.777 120 HG23 ILE 19 HG23 ILE 19 15.772 1.693 10.185 121 HD11 ILE 19 HD11 ILE 19 12.148 2.718 8.104 122 HD12 ILE 19 HD12 ILE 19 12.507 1.718 9.512 123 HD13 ILE 19 HD13 ILE 19 12.187 0.962 7.951 124 H GLY 20 H GLY 20 13.038 -0.864 8.043 125 HA2 GLY 20 HA2 GLY 20 13.267 -3.653 7.186 126 HA3 GLY 20 HA3 GLY 20 12.907 -3.359 8.889 127 H ARG 21 H ARG 21 11.926 -1.627 6.017 128 HA ARG 21 HA ARG 21 9.344 -1.156 7.084 129 HB2 ARG 21 HB2 ARG 21 9.086 -0.287 4.557 130 HB3 ARG 21 HB3 ARG 21 9.832 0.644 5.846 131 HG2 ARG 21 HG2 ARG 21 11.219 0.776 3.921 132 HG3 ARG 21 HG3 ARG 21 12.032 -0.216 5.125 133 HD2 ARG 21 HD2 ARG 21 11.511 -2.215 3.942 134 HD3 ARG 21 HD3 ARG 21 10.416 -1.360 2.858 135 HE ARG 21 HE ARG 21 12.882 -0.175 2.517 136 HH11 ARG 21 HH11 ARG 21 11.505 -3.363 2.096 137 HH12 ARG 21 HH12 ARG 21 12.611 -3.819 0.844 138 HH21 ARG 21 HH21 ARG 21 14.351 -0.774 0.865 139 HH22 ARG 21 HH22 ARG 21 14.219 -2.343 0.136 140 H THR 22 H THR 22 8.066 -2.863 7.280 141 HA THR 22 HA THR 22 7.490 -4.452 4.883 142 HB THR 22 HB THR 22 6.287 -5.956 6.503 143 HG1 THR 22 HG1 THR 22 5.869 -4.635 8.230 144 HG21 THR 22 HG21 THR 22 9.193 -5.407 7.114 145 HG22 THR 22 HG22 THR 22 8.585 -6.434 5.814 146 HG23 THR 22 HG23 THR 22 8.323 -6.893 7.496 147 H ASN 23 H ASN 23 6.303 -2.022 6.959 148 HA ASN 23 HA ASN 23 3.495 -2.336 6.471 149 HB2 ASN 23 HB2 ASN 23 4.549 -1.111 8.433 150 HB3 ASN 23 HB3 ASN 23 4.949 0.180 7.295 151 HD21 ASN 23 HD21 ASN 23 3.672 1.637 8.432 152 HD22 ASN 23 HD22 ASN 23 1.946 1.610 8.337 153 H LEU 24 H LEU 24 2.415 -1.718 4.700 154 HA LEU 24 HA LEU 24 3.742 0.175 2.874 155 HB2 LEU 24 HB2 LEU 24 2.852 -2.480 2.443 156 HB3 LEU 24 HB3 LEU 24 1.765 -1.431 1.559 157 HG LEU 24 HG LEU 24 3.562 -0.540 0.251 158 HD11 LEU 24 HD11 LEU 24 5.312 -0.365 1.881 159 HD12 LEU 24 HD12 LEU 24 5.880 -1.379 0.558 160 HD13 LEU 24 HD13 LEU 24 5.366 -2.115 2.076 161 HD21 LEU 24 HD21 LEU 24 4.340 -2.544 -0.862 162 HD22 LEU 24 HD22 LEU 24 2.636 -2.687 -0.427 163 HD23 LEU 24 HD23 LEU 24 3.863 -3.515 0.530 164 H ILE 25 H ILE 25 2.784 2.050 2.945 165 HA ILE 25 HA ILE 25 -0.029 2.338 3.503 166 HB ILE 25 HB ILE 25 1.598 4.067 4.235 167 HG12 ILE 25 HG12 ILE 25 -0.643 4.827 2.379 168 HG13 ILE 25 HG13 ILE 25 -0.665 4.671 4.133 169 HG21 ILE 25 HG21 ILE 25 2.535 5.643 2.651 170 HG22 ILE 25 HG22 ILE 25 1.839 4.733 1.311 171 HG23 ILE 25 HG23 ILE 25 3.100 4.005 2.309 172 HD11 ILE 25 HD11 ILE 25 0.807 6.789 2.597 173 HD12 ILE 25 HD12 ILE 25 0.718 6.637 4.352 174 HD13 ILE 25 HD13 ILE 25 -0.742 6.994 3.421 175 H VAL 26 H VAL 26 -1.558 2.197 2.022 176 HA VAL 26 HA VAL 26 -0.747 2.416 -0.808 177 HB VAL 26 HB VAL 26 -3.120 0.865 0.198 178 HG11 VAL 26 HG11 VAL 26 -2.958 -0.205 -1.999 179 HG12 VAL 26 HG12 VAL 26 -1.576 0.816 -2.393 180 HG13 VAL 26 HG13 VAL 26 -3.164 1.541 -2.149 181 HG21 VAL 26 HG21 VAL 26 -0.351 -0.147 -0.417 182 HG22 VAL 26 HG22 VAL 26 -1.751 -1.140 -0.012 183 HG23 VAL 26 HG23 VAL 26 -1.072 -0.041 1.189 184 H ASN 27 H ASN 27 -1.303 4.360 -1.417 185 HA ASN 27 HA ASN 27 -3.651 5.680 -0.319 186 HB2 ASN 27 HB2 ASN 27 -1.206 6.640 -0.998 187 HB3 ASN 27 HB3 ASN 27 -2.099 6.990 -2.468 188 HD21 ASN 27 HD21 ASN 27 -1.444 7.917 0.694 189 HD22 ASN 27 HD22 ASN 27 -2.583 9.208 0.830 190 H TYR 28 H TYR 28 -4.930 6.974 -1.954 191 HA TYR 28 HA TYR 28 -6.326 7.125 -3.724 192 HB2 TYR 28 HB2 TYR 28 -4.148 5.621 -5.178 193 HB3 TYR 28 HB3 TYR 28 -5.417 6.583 -5.921 194 HD1 TYR 28 HD1 TYR 28 -2.086 6.571 -4.873 195 HD2 TYR 28 HD2 TYR 28 -5.486 9.116 -5.054 196 HE1 TYR 28 HE1 TYR 28 -0.608 8.531 -4.696 197 HE2 TYR 28 HE2 TYR 28 -4.021 11.087 -4.889 198 HH TYR 28 HH TYR 28 -1.821 11.695 -4.126 199 H LEU 29 H LEU 29 -6.543 4.802 -1.956 200 HA LEU 29 HA LEU 29 -7.308 2.517 -3.467 201 HB2 LEU 29 HB2 LEU 29 -8.205 3.431 -0.727 202 HB3 LEU 29 HB3 LEU 29 -8.549 1.858 -1.417 203 HG LEU 29 HG LEU 29 -5.889 2.953 -0.539 204 HD11 LEU 29 HD11 LEU 29 -7.359 0.426 0.195 205 HD12 LEU 29 HD12 LEU 29 -7.374 1.914 1.145 206 HD13 LEU 29 HD13 LEU 29 -5.864 1.034 0.910 207 HD21 LEU 29 HD21 LEU 29 -5.469 1.909 -2.648 208 HD22 LEU 29 HD22 LEU 29 -6.461 0.519 -2.212 209 HD23 LEU 29 HD23 LEU 29 -4.940 0.813 -1.369 210 HA PRO 30 HA PRO 30 -11.179 3.770 -5.206 211 HB2 PRO 30 HB2 PRO 30 -12.226 1.131 -4.375 212 HB3 PRO 30 HB3 PRO 30 -12.153 1.850 -5.977 213 HG2 PRO 30 HG2 PRO 30 -10.513 -0.148 -5.225 214 HG3 PRO 30 HG3 PRO 30 -10.013 1.114 -6.362 215 HD2 PRO 30 HD2 PRO 30 -9.286 0.731 -3.510 216 HD3 PRO 30 HD3 PRO 30 -8.343 1.446 -4.831 217 H GLN 31 H GLN 31 -13.048 4.680 -4.402 218 HA GLN 31 HA GLN 31 -13.085 5.093 -1.598 219 HB2 GLN 31 HB2 GLN 31 -15.045 5.950 -3.721 220 HB3 GLN 31 HB3 GLN 31 -15.052 6.521 -2.058 221 HG2 GLN 31 HG2 GLN 31 -12.786 6.872 -3.999 222 HG3 GLN 31 HG3 GLN 31 -13.985 8.100 -3.601 223 HE21 GLN 31 HE21 GLN 31 -11.212 6.327 -2.498 224 HE22 GLN 31 HE22 GLN 31 -10.889 7.301 -1.107 225 H ASN 32 H ASN 32 -14.508 2.682 -3.492 226 HA ASN 32 HA ASN 32 -16.508 2.140 -1.403 227 HB2 ASN 32 HB2 ASN 32 -17.821 0.979 -3.061 228 HB3 ASN 32 HB3 ASN 32 -17.433 2.578 -3.673 229 HD21 ASN 32 HD21 ASN 32 -16.010 2.782 -5.397 230 HD22 ASN 32 HD22 ASN 32 -15.582 1.437 -6.397 231 H MET 33 H MET 33 -13.508 1.264 -2.004 232 HA MET 33 HA MET 33 -13.810 -1.589 -2.273 233 HB2 MET 33 HB2 MET 33 -11.924 -0.236 -3.233 234 HB3 MET 33 HB3 MET 33 -11.304 -0.065 -1.597 235 HG2 MET 33 HG2 MET 33 -10.983 -2.382 -1.390 236 HG3 MET 33 HG3 MET 33 -11.855 -2.708 -2.874 237 HE1 MET 33 HE1 MET 33 -7.655 -1.039 -2.394 238 HE2 MET 33 HE2 MET 33 -8.570 -1.982 -1.206 239 HE3 MET 33 HE3 MET 33 -9.096 -0.347 -1.632 240 H THR 34 H THR 34 -12.574 -3.037 -0.736 241 HA THR 34 HA THR 34 -13.190 -2.286 2.038 242 HB THR 34 HB THR 34 -13.827 -4.546 2.490 243 HG1 THR 34 HG1 THR 34 -13.548 -6.195 0.958 244 HG21 THR 34 HG21 THR 34 -15.490 -3.163 1.235 245 HG22 THR 34 HG22 THR 34 -15.686 -4.900 1.008 246 HG23 THR 34 HG23 THR 34 -14.921 -3.928 -0.255 247 H GLN 35 H GLN 35 -11.862 -3.526 3.674 248 HA GLN 35 HA GLN 35 -9.115 -3.435 3.275 249 HB2 GLN 35 HB2 GLN 35 -10.594 -5.355 5.084 250 HB3 GLN 35 HB3 GLN 35 -8.879 -4.987 5.167 251 HG2 GLN 35 HG2 GLN 35 -9.880 -3.783 6.892 252 HG3 GLN 35 HG3 GLN 35 -9.541 -2.615 5.631 253 HE21 GLN 35 HE21 GLN 35 -12.210 -4.869 5.494 254 HE22 GLN 35 HE22 GLN 35 -13.459 -3.690 5.691 255 H ASP 36 H ASP 36 -11.380 -6.087 2.902 256 HA ASP 36 HA ASP 36 -9.517 -8.136 2.479 257 HB2 ASP 36 HB2 ASP 36 -11.923 -8.458 3.017 258 HB3 ASP 36 HB3 ASP 36 -12.339 -7.913 1.399 259 H GLU 37 H GLU 37 -10.924 -5.799 0.248 260 HA GLU 37 HA GLU 37 -9.966 -7.129 -2.102 261 HB2 GLU 37 HB2 GLU 37 -10.781 -4.237 -1.745 262 HB3 GLU 37 HB3 GLU 37 -10.587 -5.077 -3.275 263 HG2 GLU 37 HG2 GLU 37 -12.599 -5.874 -1.190 264 HG3 GLU 37 HG3 GLU 37 -12.960 -4.802 -2.542 265 H LEU 38 H LEU 38 -8.911 -4.289 -0.242 266 HA LEU 38 HA LEU 38 -6.543 -3.759 -1.589 267 HB2 LEU 38 HB2 LEU 38 -7.275 -2.287 0.147 268 HB3 LEU 38 HB3 LEU 38 -7.263 -3.572 1.337 269 HG LEU 38 HG LEU 38 -4.714 -3.699 0.663 270 HD11 LEU 38 HD11 LEU 38 -3.813 -1.544 0.098 271 HD12 LEU 38 HD12 LEU 38 -5.437 -0.856 0.068 272 HD13 LEU 38 HD13 LEU 38 -4.977 -2.075 -1.117 273 HD21 LEU 38 HD21 LEU 38 -4.200 -2.178 2.489 274 HD22 LEU 38 HD22 LEU 38 -5.523 -3.271 2.888 275 HD23 LEU 38 HD23 LEU 38 -5.863 -1.591 2.469 276 H ARG 39 H ARG 39 -7.104 -5.714 1.234 277 HA ARG 39 HA ARG 39 -4.609 -6.746 1.677 278 HB2 ARG 39 HB2 ARG 39 -6.772 -6.794 3.075 279 HB3 ARG 39 HB3 ARG 39 -7.149 -8.263 2.211 280 HG2 ARG 39 HG2 ARG 39 -4.626 -7.911 3.780 281 HG3 ARG 39 HG3 ARG 39 -6.116 -8.526 4.478 282 HD2 ARG 39 HD2 ARG 39 -6.125 -10.293 2.740 283 HD3 ARG 39 HD3 ARG 39 -4.528 -9.738 2.228 284 HE ARG 39 HE ARG 39 -4.141 -10.177 4.843 285 HH11 ARG 39 HH11 ARG 39 -5.664 -12.151 2.383 286 HH12 ARG 39 HH12 ARG 39 -5.180 -13.648 3.111 287 HH21 ARG 39 HH21 ARG 39 -3.515 -12.136 5.808 288 HH22 ARG 39 HH22 ARG 39 -3.961 -13.639 5.068 289 H SER 40 H SER 40 -7.227 -8.127 -0.390 290 HA SER 40 HA SER 40 -5.806 -10.550 -0.879 291 HB2 SER 40 HB2 SER 40 -7.466 -10.859 -2.737 292 HB3 SER 40 HB3 SER 40 -8.192 -10.549 -1.161 293 HG SER 40 HG SER 40 -9.038 -8.797 -1.920 294 H LEU 41 H LEU 41 -6.016 -7.483 -2.545 295 HA LEU 41 HA LEU 41 -4.614 -8.153 -4.887 296 HB2 LEU 41 HB2 LEU 41 -6.040 -6.145 -4.435 297 HB3 LEU 41 HB3 LEU 41 -4.751 -5.523 -3.438 298 HG LEU 41 HG LEU 41 -5.108 -4.780 -5.939 299 HD11 LEU 41 HD11 LEU 41 -3.496 -3.829 -4.413 300 HD12 LEU 41 HD12 LEU 41 -2.765 -4.103 -5.994 301 HD13 LEU 41 HD13 LEU 41 -2.428 -5.208 -4.663 302 HD21 LEU 41 HD21 LEU 41 -3.572 -5.926 -7.449 303 HD22 LEU 41 HD22 LEU 41 -4.831 -7.022 -6.881 304 HD23 LEU 41 HD23 LEU 41 -3.208 -7.109 -6.190 305 H PHE 42 H PHE 42 -3.536 -7.042 -1.728 306 HA PHE 42 HA PHE 42 -0.784 -7.119 -2.538 307 HB2 PHE 42 HB2 PHE 42 -2.170 -6.633 0.082 308 HB3 PHE 42 HB3 PHE 42 -0.413 -6.808 -0.014 309 HD1 PHE 42 HD1 PHE 42 -3.293 -4.792 -1.168 310 HD2 PHE 42 HD2 PHE 42 0.953 -5.106 -0.908 311 HE1 PHE 42 HE1 PHE 42 -3.063 -2.489 -1.986 312 HE2 PHE 42 HE2 PHE 42 1.167 -2.786 -1.712 313 HZ PHE 42 HZ PHE 42 -0.832 -1.503 -2.255 314 H SER 43 H SER 43 -3.059 -9.327 -1.157 315 HA SER 43 HA SER 43 -1.206 -11.291 -0.392 316 HB2 SER 43 HB2 SER 43 -4.099 -11.396 -1.178 317 HB3 SER 43 HB3 SER 43 -3.220 -12.739 -0.502 318 HG SER 43 HG SER 43 -3.521 -10.224 0.747 319 H SER 44 H SER 44 -2.180 -10.070 -3.412 320 HA SER 44 HA SER 44 -1.759 -12.423 -4.971 321 HB2 SER 44 HB2 SER 44 -2.140 -11.093 -6.844 322 HB3 SER 44 HB3 SER 44 -3.006 -10.178 -5.604 323 HG SER 44 HG SER 44 -1.548 -8.637 -5.684 324 H ILE 45 H ILE 45 0.188 -9.670 -3.962 325 HA ILE 45 HA ILE 45 2.599 -10.423 -5.228 326 HB ILE 45 HB ILE 45 2.021 -8.770 -2.775 327 HG12 ILE 45 HG12 ILE 45 1.515 -8.013 -5.172 328 HG13 ILE 45 HG13 ILE 45 2.462 -6.918 -4.166 329 HG21 ILE 45 HG21 ILE 45 4.191 -9.724 -2.340 330 HG22 ILE 45 HG22 ILE 45 4.411 -8.040 -2.838 331 HG23 ILE 45 HG23 ILE 45 4.729 -9.349 -3.976 332 HD11 ILE 45 HD11 ILE 45 3.659 -8.846 -6.124 333 HD12 ILE 45 HD12 ILE 45 4.464 -7.535 -5.252 334 HD13 ILE 45 HD13 ILE 45 3.257 -7.169 -6.490 335 H GLY 46 H GLY 46 1.228 -11.208 -2.070 336 HA2 GLY 46 HA2 GLY 46 2.399 -13.730 -1.915 337 HA3 GLY 46 HA3 GLY 46 3.472 -12.608 -1.093 338 H GLU 47 H GLU 47 3.141 -13.422 0.944 339 HA GLU 47 HA GLU 47 0.463 -13.438 2.009 340 HB2 GLU 47 HB2 GLU 47 1.536 -14.266 4.062 341 HB3 GLU 47 HB3 GLU 47 1.903 -15.250 2.638 342 HG2 GLU 47 HG2 GLU 47 3.959 -13.889 2.417 343 HG3 GLU 47 HG3 GLU 47 3.571 -13.232 3.989 344 H VAL 48 H VAL 48 -0.257 -12.189 3.577 345 HA VAL 48 HA VAL 48 1.120 -9.605 3.940 346 HB VAL 48 HB VAL 48 -1.806 -10.132 3.371 347 HG11 VAL 48 HG11 VAL 48 -0.526 -7.582 4.336 348 HG12 VAL 48 HG12 VAL 48 -1.722 -8.551 5.196 349 HG13 VAL 48 HG13 VAL 48 -2.171 -7.715 3.706 350 HG21 VAL 48 HG21 VAL 48 0.236 -8.398 1.995 351 HG22 VAL 48 HG22 VAL 48 -1.460 -8.564 1.531 352 HG23 VAL 48 HG23 VAL 48 -0.371 -9.949 1.416 353 H GLU 49 H GLU 49 1.474 -9.040 5.842 354 HA GLU 49 HA GLU 49 0.917 -10.679 8.027 355 HB2 GLU 49 HB2 GLU 49 2.869 -9.183 7.626 356 HB3 GLU 49 HB3 GLU 49 1.843 -7.848 8.131 357 HG2 GLU 49 HG2 GLU 49 2.239 -10.282 9.821 358 HG3 GLU 49 HG3 GLU 49 3.366 -8.950 9.832 359 H SER 50 H SER 50 -0.215 -7.446 7.091 360 HA SER 50 HA SER 50 -2.849 -7.948 8.077 361 HB2 SER 50 HB2 SER 50 -2.819 -6.125 9.813 362 HB3 SER 50 HB3 SER 50 -1.897 -7.561 10.250 363 HG SER 50 HG SER 50 -0.042 -6.490 10.006 364 H ALA 51 H ALA 51 -4.254 -6.702 6.943 365 HA ALA 51 HA ALA 51 -3.157 -4.272 5.707 366 HB1 ALA 51 HB1 ALA 51 -4.333 -4.682 3.678 367 HB2 ALA 51 HB2 ALA 51 -5.153 -6.088 4.365 368 HB3 ALA 51 HB3 ALA 51 -3.412 -6.133 4.070 369 H LYS 52 H LYS 52 -4.164 -2.493 6.207 370 HA LYS 52 HA LYS 52 -6.935 -2.695 7.183 371 HB2 LYS 52 HB2 LYS 52 -6.481 -0.426 8.187 372 HB3 LYS 52 HB3 LYS 52 -5.648 -1.767 8.943 373 HG2 LYS 52 HG2 LYS 52 -3.613 -1.137 7.830 374 HG3 LYS 52 HG3 LYS 52 -4.465 0.143 6.964 375 HD2 LYS 52 HD2 LYS 52 -3.244 1.075 8.854 376 HD3 LYS 52 HD3 LYS 52 -4.982 1.238 9.093 377 HE2 LYS 52 HE2 LYS 52 -5.033 -0.535 10.630 378 HE3 LYS 52 HE3 LYS 52 -3.391 -1.036 10.218 379 HZ1 LYS 52 HZ1 LYS 52 -3.488 0.159 12.328 380 HZ2 LYS 52 HZ2 LYS 52 -4.124 1.517 11.548 381 HZ3 LYS 52 HZ3 LYS 52 -2.556 0.995 11.193 382 H LEU 53 H LEU 53 -8.483 -1.426 6.389 383 HA LEU 53 HA LEU 53 -7.807 0.347 4.143 384 HB2 LEU 53 HB2 LEU 53 -9.247 -1.487 3.446 385 HB3 LEU 53 HB3 LEU 53 -10.355 -1.160 4.762 386 HG LEU 53 HG LEU 53 -10.318 1.236 3.453 387 HD11 LEU 53 HD11 LEU 53 -10.677 0.664 1.071 388 HD12 LEU 53 HD12 LEU 53 -10.102 -0.980 1.406 389 HD13 LEU 53 HD13 LEU 53 -9.016 0.406 1.620 390 HD21 LEU 53 HD21 LEU 53 -12.523 0.527 2.594 391 HD22 LEU 53 HD22 LEU 53 -12.281 0.123 4.294 392 HD23 LEU 53 HD23 LEU 53 -12.143 -1.130 3.063 393 H ILE 54 H ILE 54 -8.402 2.461 4.378 394 HA ILE 54 HA ILE 54 -9.353 3.097 7.084 395 HB ILE 54 HB ILE 54 -8.013 4.917 5.101 396 HG12 ILE 54 HG12 ILE 54 -6.429 3.239 5.773 397 HG13 ILE 54 HG13 ILE 54 -6.035 4.712 6.642 398 HG21 ILE 54 HG21 ILE 54 -8.623 5.302 8.030 399 HG22 ILE 54 HG22 ILE 54 -9.429 6.106 6.684 400 HG23 ILE 54 HG23 ILE 54 -7.727 6.429 7.012 401 HD11 ILE 54 HD11 ILE 54 -7.141 3.803 8.635 402 HD12 ILE 54 HD12 ILE 54 -5.820 2.773 8.079 403 HD13 ILE 54 HD13 ILE 54 -7.491 2.320 7.750 404 H ARG 55 H ARG 55 -11.342 3.710 7.338 405 HA ARG 55 HA ARG 55 -12.638 5.289 5.231 406 HB2 ARG 55 HB2 ARG 55 -14.303 3.436 6.872 407 HB3 ARG 55 HB3 ARG 55 -14.621 4.128 5.285 408 HG2 ARG 55 HG2 ARG 55 -12.676 2.609 4.504 409 HG3 ARG 55 HG3 ARG 55 -12.967 1.745 6.014 410 HD2 ARG 55 HD2 ARG 55 -14.977 2.260 3.829 411 HD3 ARG 55 HD3 ARG 55 -14.219 0.717 4.208 412 HE ARG 55 HE ARG 55 -15.433 1.376 6.533 413 HH11 ARG 55 HH11 ARG 55 -16.545 1.246 3.221 414 HH12 ARG 55 HH12 ARG 55 -18.178 0.837 3.645 415 HH21 ARG 55 HH21 ARG 55 -17.583 0.817 7.099 416 HH22 ARG 55 HH22 ARG 55 -18.763 0.572 5.851 417 H ASP 56 H ASP 56 -14.627 6.425 6.144 418 HA ASP 56 HA ASP 56 -14.075 7.585 8.685 419 HB2 ASP 56 HB2 ASP 56 -15.471 8.766 7.047 420 HB3 ASP 56 HB3 ASP 56 -16.659 7.477 7.117 421 H LYS 57 H LYS 57 -16.024 7.291 10.510 422 HA LYS 57 HA LYS 57 -15.855 4.596 11.259 423 HB2 LYS 57 HB2 LYS 57 -16.907 5.218 13.196 424 HB3 LYS 57 HB3 LYS 57 -16.208 6.732 12.697 425 HG2 LYS 57 HG2 LYS 57 -19.037 5.949 12.148 426 HG3 LYS 57 HG3 LYS 57 -18.538 6.863 13.559 427 HD2 LYS 57 HD2 LYS 57 -17.946 7.749 10.742 428 HD3 LYS 57 HD3 LYS 57 -19.435 8.186 11.591 429 HE2 LYS 57 HE2 LYS 57 -18.137 9.249 13.361 430 HE3 LYS 57 HE3 LYS 57 -16.637 8.761 12.578 431 HZ1 LYS 57 HZ1 LYS 57 -18.656 10.582 11.397 432 HZ2 LYS 57 HZ2 LYS 57 -17.169 10.155 10.707 433 HZ3 LYS 57 HZ3 LYS 57 -17.213 11.073 12.129 434 H VAL 58 H VAL 58 -18.117 6.434 9.399 435 HA VAL 58 HA VAL 58 -19.705 4.053 8.848 436 HB VAL 58 HB VAL 58 -20.815 6.622 9.972 437 HG11 VAL 58 HG11 VAL 58 -23.030 5.648 9.684 438 HG12 VAL 58 HG12 VAL 58 -22.322 4.276 8.836 439 HG13 VAL 58 HG13 VAL 58 -22.224 5.892 8.137 440 HG21 VAL 58 HG21 VAL 58 -21.412 3.903 11.012 441 HG22 VAL 58 HG22 VAL 58 -21.357 5.453 11.858 442 HG23 VAL 58 HG23 VAL 58 -19.859 4.649 11.377 443 H ALA 59 H ALA 59 -19.851 7.562 8.318 444 HA ALA 59 HA ALA 59 -21.293 7.261 5.906 445 HB1 ALA 59 HB1 ALA 59 -19.997 9.717 7.015 446 HB2 ALA 59 HB2 ALA 59 -21.592 9.120 7.493 447 HB3 ALA 59 HB3 ALA 59 -21.310 9.660 5.837 448 H GLY 60 H GLY 60 -18.148 8.408 6.654 449 HA2 GLY 60 HA2 GLY 60 -17.402 9.488 4.219 450 HA3 GLY 60 HA3 GLY 60 -16.291 8.922 5.445 451 H HIS 61 H HIS 61 -17.798 6.186 4.801 452 HA HIS 61 HA HIS 61 -16.845 4.263 4.016 453 HB2 HIS 61 HB2 HIS 61 -16.830 4.071 1.578 454 HB3 HIS 61 HB3 HIS 61 -18.309 4.766 2.199 455 HD1 HIS 61 HD1 HIS 61 -19.147 6.421 0.573 456 HD2 HIS 61 HD2 HIS 61 -15.001 6.507 0.858 457 HE1 HIS 61 HE1 HIS 61 -18.398 8.184 -1.052 458 HE2 HIS 61 HE2 HIS 61 -15.904 8.319 -0.754 459 H SER 62 H SER 62 -15.097 3.674 1.897 460 HA SER 62 HA SER 62 -12.612 3.925 3.040 461 HB2 SER 62 HB2 SER 62 -13.115 2.405 1.137 462 HB3 SER 62 HB3 SER 62 -13.174 3.801 0.063 463 HG SER 62 HG SER 62 -11.143 2.927 -0.082 464 H LEU 63 H LEU 63 -11.355 5.588 3.438 465 HA LEU 63 HA LEU 63 -12.058 8.166 2.347 466 HB2 LEU 63 HB2 LEU 63 -9.954 7.363 4.351 467 HB3 LEU 63 HB3 LEU 63 -10.335 9.017 3.916 468 HG LEU 63 HG LEU 63 -11.976 7.066 5.514 469 HD11 LEU 63 HD11 LEU 63 -12.122 8.932 7.050 470 HD12 LEU 63 HD12 LEU 63 -11.190 9.934 5.938 471 HD13 LEU 63 HD13 LEU 63 -10.446 8.522 6.688 472 HD21 LEU 63 HD21 LEU 63 -13.037 9.550 4.160 473 HD22 LEU 63 HD22 LEU 63 -13.887 8.588 5.373 474 HD23 LEU 63 HD23 LEU 63 -13.512 7.882 3.792 475 H GLY 64 H GLY 64 -10.172 5.686 1.322 476 HA2 GLY 64 HA2 GLY 64 -9.299 5.833 -0.875 477 HA3 GLY 64 HA3 GLY 64 -8.937 7.526 -0.593 478 H TYR 65 H TYR 65 -8.029 5.243 1.856 479 HA TYR 65 HA TYR 65 -5.522 4.561 0.694 480 HB2 TYR 65 HB2 TYR 65 -4.029 5.754 2.176 481 HB3 TYR 65 HB3 TYR 65 -5.047 6.908 1.332 482 HD1 TYR 65 HD1 TYR 65 -7.175 7.701 2.665 483 HD2 TYR 65 HD2 TYR 65 -3.720 5.936 4.409 484 HE1 TYR 65 HE1 TYR 65 -7.727 8.750 4.809 485 HE2 TYR 65 HE2 TYR 65 -4.274 6.973 6.560 486 HH TYR 65 HH TYR 65 -5.536 8.813 7.454 487 H GLY 66 H GLY 66 -4.106 3.393 2.288 488 HA2 GLY 66 HA2 GLY 66 -5.329 2.326 4.648 489 HA3 GLY 66 HA3 GLY 66 -5.398 1.205 3.303 490 H PHE 67 H PHE 67 -4.073 0.120 5.189 491 HA PHE 67 HA PHE 67 -1.229 0.536 4.557 492 HB2 PHE 67 HB2 PHE 67 -2.333 0.323 7.365 493 HB3 PHE 67 HB3 PHE 67 -0.631 0.375 6.950 494 HD1 PHE 67 HD1 PHE 67 0.407 2.466 6.249 495 HD2 PHE 67 HD2 PHE 67 -3.711 2.285 7.310 496 HE1 PHE 67 HE1 PHE 67 0.349 4.921 6.430 497 HE2 PHE 67 HE2 PHE 67 -3.775 4.741 7.489 498 HZ PHE 67 HZ PHE 67 -1.744 6.059 7.048 499 H VAL 68 H VAL 68 -0.697 -1.400 3.696 500 HA VAL 68 HA VAL 68 -1.523 -3.764 5.196 501 HB VAL 68 HB VAL 68 -2.293 -4.481 3.252 502 HG11 VAL 68 HG11 VAL 68 -1.855 -3.483 1.113 503 HG12 VAL 68 HG12 VAL 68 -0.520 -2.557 1.803 504 HG13 VAL 68 HG13 VAL 68 -2.176 -2.257 2.342 505 HG21 VAL 68 HG21 VAL 68 -0.708 -5.565 1.706 506 HG22 VAL 68 HG22 VAL 68 -0.360 -5.939 3.393 507 HG23 VAL 68 HG23 VAL 68 0.625 -4.754 2.529 508 H ASN 69 H ASN 69 -0.116 -4.356 6.534 509 HA ASN 69 HA ASN 69 2.724 -4.032 6.186 510 HB2 ASN 69 HB2 ASN 69 1.436 -3.959 8.394 511 HB3 ASN 69 HB3 ASN 69 1.296 -5.694 8.243 512 HD21 ASN 69 HD21 ASN 69 2.502 -6.262 9.948 513 HD22 ASN 69 HD22 ASN 69 4.205 -5.959 10.073 514 H TYR 70 H TYR 70 3.999 -5.480 5.169 515 HA TYR 70 HA TYR 70 2.876 -8.090 4.546 516 HB2 TYR 70 HB2 TYR 70 5.204 -6.507 3.556 517 HB3 TYR 70 HB3 TYR 70 5.256 -8.255 3.414 518 HD1 TYR 70 HD1 TYR 70 3.251 -9.382 2.252 519 HD2 TYR 70 HD2 TYR 70 4.177 -5.247 1.885 520 HE1 TYR 70 HE1 TYR 70 1.975 -9.291 0.155 521 HE2 TYR 70 HE2 TYR 70 2.896 -5.146 -0.203 522 HH TYR 70 HH TYR 70 2.216 -6.807 -2.014 523 H VAL 71 H VAL 71 4.305 -9.989 4.765 524 HA VAL 71 HA VAL 71 5.362 -10.195 7.421 525 HB VAL 71 HB VAL 71 5.807 -12.494 6.908 526 HG11 VAL 71 HG11 VAL 71 3.588 -13.234 5.999 527 HG12 VAL 71 HG12 VAL 71 3.255 -11.545 5.608 528 HG13 VAL 71 HG13 VAL 71 3.483 -12.028 7.289 529 HG21 VAL 71 HG21 VAL 71 5.623 -13.418 4.649 530 HG22 VAL 71 HG22 VAL 71 6.886 -12.193 4.749 531 HG23 VAL 71 HG23 VAL 71 5.334 -11.799 4.013 532 H THR 72 H THR 72 6.509 -9.431 4.304 533 HA THR 72 HA THR 72 9.336 -9.517 5.134 534 HB THR 72 HB THR 72 9.657 -9.589 2.551 535 HG1 THR 72 HG1 THR 72 7.801 -10.947 1.693 536 HG21 THR 72 HG21 THR 72 8.664 -12.065 3.956 537 HG22 THR 72 HG22 THR 72 10.299 -11.413 4.062 538 HG23 THR 72 HG23 THR 72 9.686 -12.003 2.513 539 H ALA 73 H ALA 73 10.624 -7.757 4.457 540 HA ALA 73 HA ALA 73 9.233 -5.398 3.482 541 HB1 ALA 73 HB1 ALA 73 11.431 -4.312 3.604 542 HB2 ALA 73 HB2 ALA 73 12.171 -5.855 4.029 543 HB3 ALA 73 HB3 ALA 73 11.014 -5.098 5.126 544 H LYS 74 H LYS 74 10.790 -8.130 2.340 545 HA LYS 74 HA LYS 74 11.733 -7.290 -0.187 546 HB2 LYS 74 HB2 LYS 74 12.561 -9.307 0.670 547 HB3 LYS 74 HB3 LYS 74 10.956 -9.918 1.028 548 HG2 LYS 74 HG2 LYS 74 11.217 -9.401 -1.775 549 HG3 LYS 74 HG3 LYS 74 12.520 -10.452 -1.206 550 HD2 LYS 74 HD2 LYS 74 11.039 -12.073 -0.431 551 HD3 LYS 74 HD3 LYS 74 9.679 -10.948 -0.398 552 HE2 LYS 74 HE2 LYS 74 9.744 -10.823 -2.839 553 HE3 LYS 74 HE3 LYS 74 11.060 -11.996 -2.858 554 HZ1 LYS 74 HZ1 LYS 74 8.278 -12.449 -1.921 555 HZ2 LYS 74 HZ2 LYS 74 9.535 -13.567 -1.727 556 HZ3 LYS 74 HZ3 LYS 74 9.023 -13.137 -3.279 557 H ASP 75 H ASP 75 8.718 -9.031 0.662 558 HA ASP 75 HA ASP 75 7.603 -8.656 -1.942 559 HB2 ASP 75 HB2 ASP 75 6.342 -9.519 0.669 560 HB3 ASP 75 HB3 ASP 75 5.477 -9.470 -0.864 561 H ALA 76 H ALA 76 7.837 -6.685 0.835 562 HA ALA 76 HA ALA 76 5.691 -4.913 0.357 563 HB1 ALA 76 HB1 ALA 76 7.017 -3.285 1.658 564 HB2 ALA 76 HB2 ALA 76 8.404 -4.374 1.584 565 HB3 ALA 76 HB3 ALA 76 6.944 -4.861 2.446 566 H GLU 77 H GLU 77 9.132 -4.662 -0.617 567 HA GLU 77 HA GLU 77 8.776 -2.533 -2.436 568 HB2 GLU 77 HB2 GLU 77 11.003 -3.154 -1.736 569 HB3 GLU 77 HB3 GLU 77 10.801 -4.783 -2.369 570 HG2 GLU 77 HG2 GLU 77 10.637 -3.863 -4.632 571 HG3 GLU 77 HG3 GLU 77 10.911 -2.248 -3.984 572 H ARG 78 H ARG 78 8.320 -5.984 -2.684 573 HA ARG 78 HA ARG 78 8.162 -6.201 -5.478 574 HB2 ARG 78 HB2 ARG 78 8.448 -8.041 -3.785 575 HB3 ARG 78 HB3 ARG 78 6.739 -7.875 -3.417 576 HG2 ARG 78 HG2 ARG 78 6.152 -8.558 -5.643 577 HG3 ARG 78 HG3 ARG 78 7.854 -8.604 -6.109 578 HD2 ARG 78 HD2 ARG 78 8.274 -10.366 -4.503 579 HD3 ARG 78 HD3 ARG 78 6.607 -10.282 -3.938 580 HE ARG 78 HE ARG 78 6.930 -10.871 -6.752 581 HH11 ARG 78 HH11 ARG 78 6.573 -12.154 -3.504 582 HH12 ARG 78 HH12 ARG 78 6.022 -13.711 -4.050 583 HH21 ARG 78 HH21 ARG 78 6.211 -12.916 -7.469 584 HH22 ARG 78 HH22 ARG 78 5.806 -14.140 -6.311 585 H ALA 79 H ALA 79 5.834 -5.428 -2.957 586 HA ALA 79 HA ALA 79 3.611 -5.347 -4.726 587 HB1 ALA 79 HB1 ALA 79 3.915 -4.094 -1.998 588 HB2 ALA 79 HB2 ALA 79 3.293 -5.705 -2.338 589 HB3 ALA 79 HB3 ALA 79 2.397 -4.282 -2.883 590 H ILE 80 H ILE 80 5.964 -2.988 -3.605 591 HA ILE 80 HA ILE 80 4.582 -0.755 -4.669 592 HB ILE 80 HB ILE 80 7.519 -0.985 -4.178 593 HG12 ILE 80 HG12 ILE 80 5.296 -0.103 -2.329 594 HG13 ILE 80 HG13 ILE 80 6.178 -1.619 -2.207 595 HG21 ILE 80 HG21 ILE 80 5.704 1.418 -4.203 596 HG22 ILE 80 HG22 ILE 80 6.787 0.948 -5.521 597 HG23 ILE 80 HG23 ILE 80 7.455 1.414 -3.953 598 HD11 ILE 80 HD11 ILE 80 8.214 -0.424 -1.756 599 HD12 ILE 80 HD12 ILE 80 6.954 0.028 -0.609 600 HD13 ILE 80 HD13 ILE 80 7.372 1.114 -1.934 601 H ASN 81 H ASN 81 7.030 -2.900 -6.057 602 HA ASN 81 HA ASN 81 7.158 -1.190 -8.380 603 HB2 ASN 81 HB2 ASN 81 8.683 -2.941 -9.290 604 HB3 ASN 81 HB3 ASN 81 9.203 -2.199 -7.776 605 HD21 ASN 81 HD21 ASN 81 10.431 -3.726 -6.946 606 HD22 ASN 81 HD22 ASN 81 9.898 -5.320 -6.541 607 H THR 82 H THR 82 5.484 -4.005 -7.376 608 HA THR 82 HA THR 82 4.547 -4.545 -10.052 609 HB THR 82 HB THR 82 4.179 -5.914 -7.422 610 HG1 THR 82 HG1 THR 82 6.117 -6.329 -8.475 611 HG21 THR 82 HG21 THR 82 2.961 -7.706 -8.686 612 HG22 THR 82 HG22 THR 82 2.807 -6.568 -10.025 613 HG23 THR 82 HG23 THR 82 2.054 -6.211 -8.466 614 H LEU 83 H LEU 83 3.010 -3.917 -6.884 615 HA LEU 83 HA LEU 83 0.430 -3.701 -8.136 616 HB2 LEU 83 HB2 LEU 83 1.297 -3.503 -5.288 617 HB3 LEU 83 HB3 LEU 83 -0.370 -3.390 -5.797 618 HG LEU 83 HG LEU 83 1.438 -5.793 -6.072 619 HD11 LEU 83 HD11 LEU 83 -0.640 -4.938 -4.158 620 HD12 LEU 83 HD12 LEU 83 0.771 -5.965 -3.917 621 HD13 LEU 83 HD13 LEU 83 -0.687 -6.627 -4.667 622 HD21 LEU 83 HD21 LEU 83 -0.637 -6.940 -6.852 623 HD22 LEU 83 HD22 LEU 83 0.019 -5.759 -7.990 624 HD23 LEU 83 HD23 LEU 83 -1.389 -5.351 -7.011 625 H ASN 84 H ASN 84 2.813 -1.411 -7.030 626 HA ASN 84 HA ASN 84 1.009 0.704 -6.442 627 HB2 ASN 84 HB2 ASN 84 3.461 0.611 -5.810 628 HB3 ASN 84 HB3 ASN 84 3.832 1.021 -7.483 629 HD21 ASN 84 HD21 ASN 84 4.661 2.554 -5.353 630 HD22 ASN 84 HD22 ASN 84 3.862 4.080 -5.417 631 H GLY 85 H GLY 85 -0.275 1.759 -7.776 632 HA2 GLY 85 HA2 GLY 85 -0.939 2.806 -9.762 633 HA3 GLY 85 HA3 GLY 85 0.431 2.085 -10.587 634 H LEU 86 H LEU 86 -1.559 0.106 -8.572 635 HA LEU 86 HA LEU 86 -2.419 -1.450 -10.859 636 HB2 LEU 86 HB2 LEU 86 -1.906 -1.986 -8.142 637 HB3 LEU 86 HB3 LEU 86 -3.628 -2.220 -8.346 638 HG LEU 86 HG LEU 86 -2.366 -4.308 -8.589 639 HD11 LEU 86 HD11 LEU 86 -3.333 -5.030 -10.731 640 HD12 LEU 86 HD12 LEU 86 -3.683 -3.347 -11.121 641 HD13 LEU 86 HD13 LEU 86 -4.475 -4.116 -9.749 642 HD21 LEU 86 HD21 LEU 86 -1.214 -3.189 -11.124 643 HD22 LEU 86 HD22 LEU 86 -0.781 -4.676 -10.277 644 HD23 LEU 86 HD23 LEU 86 -0.356 -3.110 -9.588 645 H ARG 87 H ARG 87 -4.458 -1.494 -11.689 646 HA ARG 87 HA ARG 87 -6.319 0.503 -10.735 647 HB2 ARG 87 HB2 ARG 87 -6.355 -1.412 -13.058 648 HB3 ARG 87 HB3 ARG 87 -7.751 -0.430 -12.640 649 HG2 ARG 87 HG2 ARG 87 -5.036 0.716 -13.226 650 HG3 ARG 87 HG3 ARG 87 -6.288 0.491 -14.448 651 HD2 ARG 87 HD2 ARG 87 -7.796 1.928 -13.130 652 HD3 ARG 87 HD3 ARG 87 -6.505 2.183 -11.958 653 HE ARG 87 HE ARG 87 -5.354 2.976 -14.251 654 HH11 ARG 87 HH11 ARG 87 -8.443 3.777 -12.794 655 HH12 ARG 87 HH12 ARG 87 -8.475 5.377 -13.464 656 HH21 ARG 87 HH21 ARG 87 -5.414 5.093 -15.122 657 HH22 ARG 87 HH22 ARG 87 -6.765 6.124 -14.770 658 H LEU 88 H LEU 88 -6.797 -0.312 -8.700 659 HA LEU 88 HA LEU 88 -8.153 -2.837 -8.395 660 HB2 LEU 88 HB2 LEU 88 -7.200 -0.674 -6.666 661 HB3 LEU 88 HB3 LEU 88 -8.723 -1.378 -6.152 662 HG LEU 88 HG LEU 88 -6.236 -2.995 -6.689 663 HD11 LEU 88 HD11 LEU 88 -6.074 -1.335 -4.784 664 HD12 LEU 88 HD12 LEU 88 -5.830 -3.032 -4.368 665 HD13 LEU 88 HD13 LEU 88 -7.370 -2.248 -4.011 666 HD21 LEU 88 HD21 LEU 88 -7.471 -4.719 -5.454 667 HD22 LEU 88 HD22 LEU 88 -8.328 -4.220 -6.913 668 HD23 LEU 88 HD23 LEU 88 -8.854 -3.629 -5.335 669 H GLN 89 H GLN 89 -10.142 -3.053 -9.202 670 HA GLN 89 HA GLN 89 -12.269 -2.577 -9.879 671 HB2 GLN 89 HB2 GLN 89 -12.120 -0.658 -7.577 672 HB3 GLN 89 HB3 GLN 89 -13.607 -1.160 -8.365 673 HG2 GLN 89 HG2 GLN 89 -13.227 -3.450 -7.641 674 HG3 GLN 89 HG3 GLN 89 -11.700 -2.966 -6.905 675 HE21 GLN 89 HE21 GLN 89 -12.757 -0.451 -5.927 676 HE22 GLN 89 HE22 GLN 89 -13.764 -0.838 -4.578 677 H SER 90 H SER 90 -10.048 -1.166 -10.964 678 HA SER 90 HA SER 90 -9.772 0.213 -12.748 679 HB2 SER 90 HB2 SER 90 -12.318 0.001 -12.993 680 HB3 SER 90 HB3 SER 90 -12.397 1.569 -12.196 681 HG SER 90 HG SER 90 -11.050 2.396 -13.860 682 H LYS 91 H LYS 91 -9.763 0.925 -9.626 683 HA LYS 91 HA LYS 91 -9.077 3.769 -9.982 684 HB2 LYS 91 HB2 LYS 91 -10.492 2.434 -7.969 685 HB3 LYS 91 HB3 LYS 91 -8.915 2.765 -7.272 686 HG2 LYS 91 HG2 LYS 91 -10.706 4.826 -8.483 687 HG3 LYS 91 HG3 LYS 91 -10.507 4.510 -6.764 688 HD2 LYS 91 HD2 LYS 91 -7.935 4.761 -7.585 689 HD3 LYS 91 HD3 LYS 91 -8.760 5.927 -8.618 690 HE2 LYS 91 HE2 LYS 91 -9.877 6.720 -6.478 691 HE3 LYS 91 HE3 LYS 91 -8.640 5.804 -5.632 692 HZ1 LYS 91 HZ1 LYS 91 -6.957 7.092 -6.849 693 HZ2 LYS 91 HZ2 LYS 91 -7.927 8.064 -5.860 694 HZ3 LYS 91 HZ3 LYS 91 -8.181 8.038 -7.530 695 H THR 92 H THR 92 -6.969 4.423 -9.823 696 HA THR 92 HA THR 92 -4.962 2.334 -9.586 697 HB THR 92 HB THR 92 -3.882 5.004 -9.915 698 HG1 THR 92 HG1 THR 92 -5.496 5.722 -11.115 699 HG21 THR 92 HG21 THR 92 -2.702 2.933 -10.488 700 HG22 THR 92 HG22 THR 92 -2.878 3.973 -11.900 701 HG23 THR 92 HG23 THR 92 -3.926 2.570 -11.704 702 H ILE 93 H ILE 93 -3.756 1.976 -7.853 703 HA ILE 93 HA ILE 93 -4.088 3.746 -5.544 704 HB ILE 93 HB ILE 93 -3.493 1.808 -4.215 705 HG12 ILE 93 HG12 ILE 93 -3.134 0.467 -6.903 706 HG13 ILE 93 HG13 ILE 93 -1.875 0.788 -5.719 707 HG21 ILE 93 HG21 ILE 93 -5.832 2.206 -5.064 708 HG22 ILE 93 HG22 ILE 93 -5.475 0.543 -4.587 709 HG23 ILE 93 HG23 ILE 93 -5.504 0.985 -6.297 710 HD11 ILE 93 HD11 ILE 93 -4.173 -1.112 -5.433 711 HD12 ILE 93 HD12 ILE 93 -2.992 -0.752 -4.172 712 HD13 ILE 93 HD13 ILE 93 -2.475 -1.522 -5.673 713 H LYS 94 H LYS 94 -2.248 3.855 -4.008 714 HA LYS 94 HA LYS 94 0.387 3.734 -5.345 715 HB2 LYS 94 HB2 LYS 94 -0.020 6.051 -5.119 716 HB3 LYS 94 HB3 LYS 94 -0.763 5.854 -3.540 717 HG2 LYS 94 HG2 LYS 94 1.536 5.120 -2.728 718 HG3 LYS 94 HG3 LYS 94 2.152 5.744 -4.254 719 HD2 LYS 94 HD2 LYS 94 1.410 7.929 -3.736 720 HD3 LYS 94 HD3 LYS 94 0.479 7.370 -2.353 721 HE2 LYS 94 HE2 LYS 94 3.484 7.183 -2.572 722 HE3 LYS 94 HE3 LYS 94 2.633 8.495 -1.761 723 HZ1 LYS 94 HZ1 LYS 94 1.645 6.825 -0.276 724 HZ2 LYS 94 HZ2 LYS 94 3.334 6.870 -0.156 725 HZ3 LYS 94 HZ3 LYS 94 2.576 5.623 -1.018 726 H VAL 95 H VAL 95 1.091 1.810 -4.447 727 HA VAL 95 HA VAL 95 1.000 1.558 -1.539 728 HB VAL 95 HB VAL 95 0.964 -0.621 -1.818 729 HG11 VAL 95 HG11 VAL 95 -0.380 -0.030 -3.747 730 HG12 VAL 95 HG12 VAL 95 0.477 -1.559 -3.994 731 HG13 VAL 95 HG13 VAL 95 1.059 -0.084 -4.767 732 HG21 VAL 95 HG21 VAL 95 2.716 -1.822 -3.197 733 HG22 VAL 95 HG22 VAL 95 3.272 -0.872 -1.817 734 HG23 VAL 95 HG23 VAL 95 3.425 -0.226 -3.448 735 H SER 96 H SER 96 2.696 1.886 -0.270 736 HA SER 96 HA SER 96 5.398 2.084 -1.247 737 HB2 SER 96 HB2 SER 96 4.042 4.573 -0.148 738 HB3 SER 96 HB3 SER 96 5.691 4.447 -0.759 739 HG SER 96 HG SER 96 4.115 3.601 -2.689 740 H TYR 97 H TYR 97 6.882 2.523 0.625 741 HA TYR 97 HA TYR 97 6.056 1.120 2.962 742 HB2 TYR 97 HB2 TYR 97 8.395 3.018 2.886 743 HB3 TYR 97 HB3 TYR 97 8.200 1.557 3.843 744 HD1 TYR 97 HD1 TYR 97 9.758 2.954 1.060 745 HD2 TYR 97 HD2 TYR 97 7.972 -0.672 2.394 746 HE1 TYR 97 HE1 TYR 97 11.044 1.717 -0.622 747 HE2 TYR 97 HE2 TYR 97 9.255 -1.925 0.708 748 HH TYR 97 HH TYR 97 10.387 -1.549 -1.398 749 H ALA 98 H ALA 98 4.586 1.913 4.311 750 HA ALA 98 HA ALA 98 4.213 4.721 4.722 751 HB1 ALA 98 HB1 ALA 98 2.420 4.154 6.065 752 HB2 ALA 98 HB2 ALA 98 3.205 2.698 6.678 753 HB3 ALA 98 HB3 ALA 98 2.532 2.716 5.048 754 H ARG 99 H ARG 99 6.030 5.681 5.489 755 HA ARG 99 HA ARG 99 8.151 4.551 6.670 756 HB2 ARG 99 HB2 ARG 99 8.560 6.921 7.726 757 HB3 ARG 99 HB3 ARG 99 8.651 6.654 5.996 758 HG2 ARG 99 HG2 ARG 99 7.466 8.644 6.240 759 HG3 ARG 99 HG3 ARG 99 6.233 7.433 5.902 760 HD2 ARG 99 HD2 ARG 99 5.578 9.003 7.684 761 HD3 ARG 99 HD3 ARG 99 5.635 7.329 8.234 762 HE ARG 99 HE ARG 99 8.079 8.231 8.904 763 HH11 ARG 99 HH11 ARG 99 4.898 9.596 9.411 764 HH12 ARG 99 HH12 ARG 99 5.303 10.297 10.941 765 HH21 ARG 99 HH21 ARG 99 8.612 9.141 10.921 766 HH22 ARG 99 HH22 ARG 99 7.417 10.034 11.808 767 HA PRO 100 HA PRO 100 6.734 3.400 10.756 768 HB2 PRO 100 HB2 PRO 100 9.301 2.013 10.892 769 HB3 PRO 100 HB3 PRO 100 7.672 1.343 10.928 770 HG2 PRO 100 HG2 PRO 100 9.333 0.987 8.833 771 HG3 PRO 100 HG3 PRO 100 7.573 1.094 8.649 772 HD2 PRO 100 HD2 PRO 100 9.657 3.193 8.184 773 HD3 PRO 100 HD3 PRO 100 8.227 2.786 7.210 774 H SER 101 H SER 101 7.782 3.495 12.912 775 HA SER 101 HA SER 101 8.796 4.652 14.561 776 HB2 SER 101 HB2 SER 101 10.803 3.626 13.670 777 HB3 SER 101 HB3 SER 101 10.960 4.906 12.474 778 HG SER 101 HG SER 101 10.999 6.315 14.486 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 7.392 14.566 -8.819 2 H2 GLY 1 H2 GLY 1 7.648 16.238 -8.786 3 H3 GLY 1 H3 GLY 1 7.736 15.347 -7.356 4 HA2 GLY 1 HA2 GLY 1 9.948 15.853 -8.037 5 HA3 GLY 1 HA3 GLY 1 9.659 14.131 -8.247 6 H HIS 2 H HIS 2 11.667 14.800 -9.667 7 HA HIS 2 HA HIS 2 11.141 16.126 -12.122 8 HB2 HIS 2 HB2 HIS 2 13.364 15.419 -12.807 9 HB3 HIS 2 HB3 HIS 2 13.407 15.995 -11.147 10 HD1 HIS 2 HD1 HIS 2 14.120 14.334 -9.339 11 HD2 HIS 2 HD2 HIS 2 13.783 12.627 -13.119 12 HE1 HIS 2 HE1 HIS 2 15.155 12.051 -9.151 13 HE2 HIS 2 HE2 HIS 2 14.846 11.000 -11.418 14 H MET 3 H MET 3 10.851 12.836 -11.072 15 HA MET 3 HA MET 3 10.346 11.926 -13.810 16 HB2 MET 3 HB2 MET 3 11.793 10.454 -12.603 17 HB3 MET 3 HB3 MET 3 10.737 10.464 -11.198 18 HG2 MET 3 HG2 MET 3 10.578 8.364 -12.396 19 HG3 MET 3 HG3 MET 3 9.046 9.232 -12.436 20 HE1 MET 3 HE1 MET 3 12.320 9.818 -14.578 21 HE2 MET 3 HE2 MET 3 11.948 8.846 -16.001 22 HE3 MET 3 HE3 MET 3 12.183 8.065 -14.439 23 H SER 4 H SER 4 8.333 11.584 -14.533 24 HA SER 4 HA SER 4 6.096 12.226 -12.861 25 HB2 SER 4 HB2 SER 4 6.187 11.161 -15.693 26 HB3 SER 4 HB3 SER 4 4.753 11.798 -14.884 27 HG SER 4 HG SER 4 6.722 13.577 -14.641 28 H ASN 5 H ASN 5 7.043 10.341 -11.447 29 HA ASN 5 HA ASN 5 6.222 7.689 -12.136 30 HB2 ASN 5 HB2 ASN 5 8.040 7.866 -10.620 31 HB3 ASN 5 HB3 ASN 5 7.177 8.999 -9.591 32 HD21 ASN 5 HD21 ASN 5 7.548 5.646 -10.483 33 HD22 ASN 5 HD22 ASN 5 6.718 5.002 -9.108 34 H GLY 6 H GLY 6 4.949 10.265 -10.072 35 HA2 GLY 6 HA2 GLY 6 2.603 10.738 -10.028 36 HA3 GLY 6 HA3 GLY 6 2.285 9.040 -10.347 37 H TYR 7 H TYR 7 4.514 8.481 -8.343 38 HA TYR 7 HA TYR 7 2.883 8.832 -5.918 39 HB2 TYR 7 HB2 TYR 7 4.494 6.343 -6.477 40 HB3 TYR 7 HB3 TYR 7 3.186 6.554 -5.311 41 HD1 TYR 7 HD1 TYR 7 4.031 5.170 -8.401 42 HD2 TYR 7 HD2 TYR 7 0.860 7.274 -6.484 43 HE1 TYR 7 HE1 TYR 7 2.454 4.333 -10.097 44 HE2 TYR 7 HE2 TYR 7 -0.718 6.440 -8.169 45 HH TYR 7 HH TYR 7 -0.543 5.637 -10.617 46 H GLU 8 H GLU 8 5.106 10.425 -6.827 47 HA GLU 8 HA GLU 8 7.549 9.701 -5.697 48 HB2 GLU 8 HB2 GLU 8 6.372 12.452 -6.087 49 HB3 GLU 8 HB3 GLU 8 8.032 12.157 -5.589 50 HG2 GLU 8 HG2 GLU 8 8.472 12.275 -7.770 51 HG3 GLU 8 HG3 GLU 8 7.871 10.616 -7.803 52 H ASP 9 H ASP 9 8.256 9.520 -3.763 53 HA ASP 9 HA ASP 9 7.819 11.140 -1.592 54 HB2 ASP 9 HB2 ASP 9 6.396 9.797 -0.099 55 HB3 ASP 9 HB3 ASP 9 5.510 10.356 -1.504 56 H HIS 10 H HIS 10 8.470 8.011 -2.773 57 HA HIS 10 HA HIS 10 10.259 7.478 -0.517 58 HB2 HIS 10 HB2 HIS 10 10.035 5.104 -1.062 59 HB3 HIS 10 HB3 HIS 10 8.450 5.829 -0.858 60 HD1 HIS 10 HD1 HIS 10 7.145 6.381 -3.182 61 HD2 HIS 10 HD2 HIS 10 10.383 3.768 -3.403 62 HE1 HIS 10 HE1 HIS 10 6.917 5.185 -5.401 63 HE2 HIS 10 HE2 HIS 10 8.997 3.779 -5.588 64 H MET 11 H MET 11 10.590 8.807 -3.390 65 HA MET 11 HA MET 11 12.889 7.244 -4.205 66 HB2 MET 11 HB2 MET 11 12.983 8.511 -6.195 67 HB3 MET 11 HB3 MET 11 11.285 8.177 -5.901 68 HG2 MET 11 HG2 MET 11 12.712 10.753 -5.323 69 HG3 MET 11 HG3 MET 11 11.625 10.441 -6.674 70 HE1 MET 11 HE1 MET 11 10.503 12.718 -5.860 71 HE2 MET 11 HE2 MET 11 11.552 12.774 -4.444 72 HE3 MET 11 HE3 MET 11 9.806 12.947 -4.255 73 H ALA 12 H ALA 12 12.137 10.372 -2.766 74 HA ALA 12 HA ALA 12 14.535 10.504 -1.340 75 HB1 ALA 12 HB1 ALA 12 15.772 12.229 -2.517 76 HB2 ALA 12 HB2 ALA 12 14.562 12.240 -3.800 77 HB3 ALA 12 HB3 ALA 12 15.564 10.811 -3.544 78 H GLU 13 H GLU 13 11.933 11.096 -0.490 79 HA GLU 13 HA GLU 13 12.494 13.727 0.518 80 HB2 GLU 13 HB2 GLU 13 10.382 14.792 -0.197 81 HB3 GLU 13 HB3 GLU 13 11.483 14.455 -1.523 82 HG2 GLU 13 HG2 GLU 13 10.184 12.606 -2.244 83 HG3 GLU 13 HG3 GLU 13 9.182 12.670 -0.791 84 H ASP 14 H ASP 14 11.617 10.870 1.341 85 HA ASP 14 HA ASP 14 10.401 11.384 3.707 86 HB2 ASP 14 HB2 ASP 14 8.537 12.129 2.000 87 HB3 ASP 14 HB3 ASP 14 8.246 10.400 1.860 88 H CYS 15 H CYS 15 8.569 9.175 3.805 89 HA CYS 15 HA CYS 15 8.267 6.942 3.573 90 HB2 CYS 15 HB2 CYS 15 9.149 7.281 1.251 91 HB3 CYS 15 HB3 CYS 15 10.745 6.851 1.881 92 HG CYS 15 HG CYS 15 8.161 4.697 2.377 93 H ARG 16 H ARG 16 11.836 7.280 3.544 94 HA ARG 16 HA ARG 16 13.377 5.852 4.353 95 HB2 ARG 16 HB2 ARG 16 11.640 6.540 6.671 96 HB3 ARG 16 HB3 ARG 16 12.916 5.346 6.885 97 HG2 ARG 16 HG2 ARG 16 13.447 7.777 7.390 98 HG3 ARG 16 HG3 ARG 16 14.593 6.860 6.415 99 HD2 ARG 16 HD2 ARG 16 13.651 7.875 4.388 100 HD3 ARG 16 HD3 ARG 16 12.486 8.759 5.370 101 HE ARG 16 HE ARG 16 15.128 9.320 6.236 102 HH11 ARG 16 HH11 ARG 16 12.907 10.007 3.621 103 HH12 ARG 16 HH12 ARG 16 13.586 11.572 3.289 104 HH21 ARG 16 HH21 ARG 16 16.017 11.375 5.809 105 HH22 ARG 16 HH22 ARG 16 15.354 12.346 4.532 106 H GLY 17 H GLY 17 12.453 4.341 2.813 107 HA2 GLY 17 HA2 GLY 17 11.243 2.051 4.197 108 HA3 GLY 17 HA3 GLY 17 10.799 2.519 2.560 109 H ASP 18 H ASP 18 13.912 2.023 4.247 110 HA ASP 18 HA ASP 18 14.398 -0.299 2.557 111 HB2 ASP 18 HB2 ASP 18 15.337 1.788 1.403 112 HB3 ASP 18 HB3 ASP 18 16.507 1.853 2.718 113 H ILE 19 H ILE 19 13.893 0.384 5.368 114 HA ILE 19 HA ILE 19 16.409 -0.340 6.662 115 HB ILE 19 HB ILE 19 14.362 0.169 8.571 116 HG12 ILE 19 HG12 ILE 19 14.580 2.770 7.464 117 HG13 ILE 19 HG13 ILE 19 14.050 1.706 6.171 118 HG21 ILE 19 HG21 ILE 19 15.895 1.949 9.255 119 HG22 ILE 19 HG22 ILE 19 16.793 1.741 7.753 120 HG23 ILE 19 HG23 ILE 19 16.743 0.437 8.938 121 HD11 ILE 19 HD11 ILE 19 12.714 1.977 8.845 122 HD12 ILE 19 HD12 ILE 19 12.188 0.942 7.516 123 HD13 ILE 19 HD13 ILE 19 12.166 2.696 7.331 124 H GLY 20 H GLY 20 13.061 -0.910 7.594 125 HA2 GLY 20 HA2 GLY 20 13.284 -3.784 7.124 126 HA3 GLY 20 HA3 GLY 20 13.018 -3.276 8.794 127 H ARG 21 H ARG 21 11.836 -2.081 5.714 128 HA ARG 21 HA ARG 21 9.306 -1.463 6.908 129 HB2 ARG 21 HB2 ARG 21 8.948 -0.796 4.325 130 HB3 ARG 21 HB3 ARG 21 9.702 0.246 5.523 131 HG2 ARG 21 HG2 ARG 21 11.025 0.254 3.543 132 HG3 ARG 21 HG3 ARG 21 11.904 -0.590 4.812 133 HD2 ARG 21 HD2 ARG 21 11.443 -2.709 3.818 134 HD3 ARG 21 HD3 ARG 21 10.285 -2.001 2.697 135 HE ARG 21 HE ARG 21 12.692 -0.742 2.200 136 HH11 ARG 21 HH11 ARG 21 11.435 -4.004 2.042 137 HH12 ARG 21 HH12 ARG 21 12.533 -4.499 0.794 138 HH21 ARG 21 HH21 ARG 21 14.148 -1.399 0.556 139 HH22 ARG 21 HH22 ARG 21 14.059 -3.023 -0.052 140 H THR 22 H THR 22 8.134 -3.250 7.290 141 HA THR 22 HA THR 22 7.395 -4.942 5.019 142 HB THR 22 HB THR 22 6.200 -6.284 6.728 143 HG1 THR 22 HG1 THR 22 5.726 -4.529 8.184 144 HG21 THR 22 HG21 THR 22 8.168 -7.087 7.932 145 HG22 THR 22 HG22 THR 22 9.033 -5.601 7.530 146 HG23 THR 22 HG23 THR 22 8.578 -6.730 6.252 147 H ASN 23 H ASN 23 6.419 -2.209 6.716 148 HA ASN 23 HA ASN 23 3.562 -2.459 6.395 149 HB2 ASN 23 HB2 ASN 23 4.815 -1.140 8.202 150 HB3 ASN 23 HB3 ASN 23 5.183 0.039 6.942 151 HD21 ASN 23 HD21 ASN 23 4.076 1.612 8.116 152 HD22 ASN 23 HD22 ASN 23 2.349 1.674 8.146 153 H LEU 24 H LEU 24 2.362 -1.676 4.732 154 HA LEU 24 HA LEU 24 3.727 -0.070 2.680 155 HB2 LEU 24 HB2 LEU 24 2.887 -2.755 2.455 156 HB3 LEU 24 HB3 LEU 24 1.740 -1.803 1.535 157 HG LEU 24 HG LEU 24 3.488 -0.946 0.122 158 HD11 LEU 24 HD11 LEU 24 5.816 -1.793 0.392 159 HD12 LEU 24 HD12 LEU 24 5.354 -2.391 1.986 160 HD13 LEU 24 HD13 LEU 24 5.299 -0.666 1.640 161 HD21 LEU 24 HD21 LEU 24 4.188 -2.976 -0.943 162 HD22 LEU 24 HD22 LEU 24 2.535 -3.156 -0.356 163 HD23 LEU 24 HD23 LEU 24 3.867 -3.894 0.529 164 H ILE 25 H ILE 25 2.738 1.787 2.517 165 HA ILE 25 HA ILE 25 -0.057 2.099 3.169 166 HB ILE 25 HB ILE 25 1.582 3.902 3.681 167 HG12 ILE 25 HG12 ILE 25 -0.713 4.521 1.831 168 HG13 ILE 25 HG13 ILE 25 -0.723 4.429 3.591 169 HG21 ILE 25 HG21 ILE 25 1.681 4.318 0.703 170 HG22 ILE 25 HG22 ILE 25 2.992 3.676 1.696 171 HG23 ILE 25 HG23 ILE 25 2.437 5.337 1.929 172 HD11 ILE 25 HD11 ILE 25 -0.812 6.730 2.735 173 HD12 ILE 25 HD12 ILE 25 0.777 6.489 2.002 174 HD13 ILE 25 HD13 ILE 25 0.595 6.418 3.756 175 H VAL 26 H VAL 26 -1.663 1.903 1.744 176 HA VAL 26 HA VAL 26 -0.907 1.864 -1.107 177 HB VAL 26 HB VAL 26 -3.227 0.353 0.081 178 HG11 VAL 26 HG11 VAL 26 -3.373 0.865 -2.306 179 HG12 VAL 26 HG12 VAL 26 -3.124 -0.862 -2.049 180 HG13 VAL 26 HG13 VAL 26 -1.780 0.157 -2.562 181 HG21 VAL 26 HG21 VAL 26 -0.459 -0.639 -0.566 182 HG22 VAL 26 HG22 VAL 26 -1.825 -1.638 -0.069 183 HG23 VAL 26 HG23 VAL 26 -1.141 -0.460 1.050 184 H ASN 27 H ASN 27 -1.482 3.759 -1.823 185 HA ASN 27 HA ASN 27 -3.890 5.091 -0.864 186 HB2 ASN 27 HB2 ASN 27 -1.437 6.069 -1.544 187 HB3 ASN 27 HB3 ASN 27 -2.322 6.328 -3.039 188 HD21 ASN 27 HD21 ASN 27 -1.756 7.375 0.115 189 HD22 ASN 27 HD22 ASN 27 -2.897 8.665 0.169 190 H TYR 28 H TYR 28 -5.096 6.272 -2.654 191 HA TYR 28 HA TYR 28 -6.413 6.266 -4.483 192 HB2 TYR 28 HB2 TYR 28 -4.114 4.707 -5.688 193 HB3 TYR 28 HB3 TYR 28 -5.410 5.499 -6.594 194 HD1 TYR 28 HD1 TYR 28 -2.170 5.865 -5.302 195 HD2 TYR 28 HD2 TYR 28 -5.702 8.075 -6.090 196 HE1 TYR 28 HE1 TYR 28 -0.862 7.942 -5.232 197 HE2 TYR 28 HE2 TYR 28 -4.410 10.167 -6.045 198 HH TYR 28 HH TYR 28 -2.190 10.931 -4.911 199 H LEU 29 H LEU 29 -6.616 4.063 -2.539 200 HA LEU 29 HA LEU 29 -7.454 1.704 -3.882 201 HB2 LEU 29 HB2 LEU 29 -8.366 2.861 -1.237 202 HB3 LEU 29 HB3 LEU 29 -8.717 1.240 -1.802 203 HG LEU 29 HG LEU 29 -6.062 2.370 -0.957 204 HD11 LEU 29 HD11 LEU 29 -7.638 -0.030 -0.043 205 HD12 LEU 29 HD12 LEU 29 -7.549 1.521 0.795 206 HD13 LEU 29 HD13 LEU 29 -6.102 0.529 0.619 207 HD21 LEU 29 HD21 LEU 29 -5.581 1.153 -2.944 208 HD22 LEU 29 HD22 LEU 29 -6.639 -0.170 -2.458 209 HD23 LEU 29 HD23 LEU 29 -5.144 0.133 -1.573 210 HA PRO 30 HA PRO 30 -11.408 3.027 -5.526 211 HB2 PRO 30 HB2 PRO 30 -12.453 0.412 -4.634 212 HB3 PRO 30 HB3 PRO 30 -12.399 1.100 -6.253 213 HG2 PRO 30 HG2 PRO 30 -10.785 -0.919 -5.477 214 HG3 PRO 30 HG3 PRO 30 -10.293 0.292 -6.670 215 HD2 PRO 30 HD2 PRO 30 -9.507 0.003 -3.820 216 HD3 PRO 30 HD3 PRO 30 -8.572 0.625 -5.193 217 H GLN 31 H GLN 31 -13.179 4.006 -4.585 218 HA GLN 31 HA GLN 31 -13.112 4.264 -1.760 219 HB2 GLN 31 HB2 GLN 31 -15.173 5.308 -3.687 220 HB3 GLN 31 HB3 GLN 31 -14.954 5.830 -2.022 221 HG2 GLN 31 HG2 GLN 31 -13.076 6.196 -4.323 222 HG3 GLN 31 HG3 GLN 31 -13.927 7.444 -3.419 223 HE21 GLN 31 HE21 GLN 31 -13.147 8.028 -1.366 224 HE22 GLN 31 HE22 GLN 31 -11.570 7.566 -0.822 225 H ASN 32 H ASN 32 -14.443 1.919 -3.655 226 HA ASN 32 HA ASN 32 -16.520 1.270 -1.675 227 HB2 ASN 32 HB2 ASN 32 -17.655 0.019 -3.434 228 HB3 ASN 32 HB3 ASN 32 -17.406 1.682 -3.946 229 HD21 ASN 32 HD21 ASN 32 -17.796 -0.834 -5.463 230 HD22 ASN 32 HD22 ASN 32 -16.453 -0.922 -6.550 231 H MET 33 H MET 33 -13.448 0.544 -2.183 232 HA MET 33 HA MET 33 -13.660 -2.343 -2.353 233 HB2 MET 33 HB2 MET 33 -11.748 -0.586 -3.154 234 HB3 MET 33 HB3 MET 33 -11.068 -1.161 -1.639 235 HG2 MET 33 HG2 MET 33 -11.335 -3.466 -2.427 236 HG3 MET 33 HG3 MET 33 -11.942 -2.858 -3.956 237 HE1 MET 33 HE1 MET 33 -8.817 -2.727 -1.511 238 HE2 MET 33 HE2 MET 33 -9.153 -1.048 -1.943 239 HE3 MET 33 HE3 MET 33 -7.684 -1.831 -2.528 240 H THR 34 H THR 34 -12.505 -3.722 -0.751 241 HA THR 34 HA THR 34 -13.174 -2.795 1.966 242 HB THR 34 HB THR 34 -13.746 -5.052 2.534 243 HG1 THR 34 HG1 THR 34 -13.578 -6.588 0.562 244 HG21 THR 34 HG21 THR 34 -14.808 -4.552 -0.245 245 HG22 THR 34 HG22 THR 34 -15.414 -3.754 1.212 246 HG23 THR 34 HG23 THR 34 -15.576 -5.503 1.033 247 H GLN 35 H GLN 35 -11.915 -3.922 3.740 248 HA GLN 35 HA GLN 35 -9.153 -3.881 3.486 249 HB2 GLN 35 HB2 GLN 35 -10.751 -5.707 5.286 250 HB3 GLN 35 HB3 GLN 35 -9.033 -5.378 5.434 251 HG2 GLN 35 HG2 GLN 35 -10.073 -4.089 7.069 252 HG3 GLN 35 HG3 GLN 35 -9.652 -2.973 5.780 253 HE21 GLN 35 HE21 GLN 35 -12.363 -5.165 5.540 254 HE22 GLN 35 HE22 GLN 35 -13.598 -3.956 5.674 255 H ASP 36 H ASP 36 -11.420 -6.536 3.104 256 HA ASP 36 HA ASP 36 -9.589 -8.633 2.803 257 HB2 ASP 36 HB2 ASP 36 -11.978 -8.972 3.216 258 HB3 ASP 36 HB3 ASP 36 -12.369 -8.290 1.645 259 H GLU 37 H GLU 37 -10.960 -6.414 0.404 260 HA GLU 37 HA GLU 37 -9.765 -7.701 -1.845 261 HB2 GLU 37 HB2 GLU 37 -10.662 -4.835 -1.513 262 HB3 GLU 37 HB3 GLU 37 -10.326 -5.627 -3.043 263 HG2 GLU 37 HG2 GLU 37 -12.460 -6.549 -1.144 264 HG3 GLU 37 HG3 GLU 37 -12.756 -5.393 -2.441 265 H LEU 38 H LEU 38 -8.946 -4.825 0.048 266 HA LEU 38 HA LEU 38 -6.526 -4.171 -1.200 267 HB2 LEU 38 HB2 LEU 38 -7.780 -2.686 0.306 268 HB3 LEU 38 HB3 LEU 38 -7.487 -3.754 1.652 269 HG LEU 38 HG LEU 38 -6.106 -1.553 1.374 270 HD11 LEU 38 HD11 LEU 38 -5.805 -3.263 3.117 271 HD12 LEU 38 HD12 LEU 38 -4.298 -2.505 2.599 272 HD13 LEU 38 HD13 LEU 38 -4.709 -4.125 2.033 273 HD21 LEU 38 HD21 LEU 38 -4.008 -1.879 0.182 274 HD22 LEU 38 HD22 LEU 38 -5.394 -1.975 -0.907 275 HD23 LEU 38 HD23 LEU 38 -4.579 -3.449 -0.386 276 H ARG 39 H ARG 39 -7.354 -6.456 1.274 277 HA ARG 39 HA ARG 39 -4.692 -7.134 2.028 278 HB2 ARG 39 HB2 ARG 39 -6.911 -7.317 3.342 279 HB3 ARG 39 HB3 ARG 39 -7.147 -8.807 2.464 280 HG2 ARG 39 HG2 ARG 39 -4.685 -8.323 4.072 281 HG3 ARG 39 HG3 ARG 39 -6.167 -8.912 4.805 282 HD2 ARG 39 HD2 ARG 39 -6.150 -10.766 3.136 283 HD3 ARG 39 HD3 ARG 39 -4.530 -10.241 2.658 284 HE ARG 39 HE ARG 39 -4.795 -10.664 5.486 285 HH11 ARG 39 HH11 ARG 39 -4.091 -12.234 2.435 286 HH12 ARG 39 HH12 ARG 39 -3.288 -13.579 3.182 287 HH21 ARG 39 HH21 ARG 39 -3.724 -12.412 6.450 288 HH22 ARG 39 HH22 ARG 39 -3.075 -13.677 5.457 289 H SER 40 H SER 40 -7.214 -8.724 0.032 290 HA SER 40 HA SER 40 -5.690 -11.070 -0.414 291 HB2 SER 40 HB2 SER 40 -8.191 -10.870 -0.600 292 HB3 SER 40 HB3 SER 40 -7.949 -10.039 -2.134 293 HG SER 40 HG SER 40 -7.972 -11.995 -2.913 294 H LEU 41 H LEU 41 -6.065 -8.093 -2.275 295 HA LEU 41 HA LEU 41 -4.676 -8.903 -4.588 296 HB2 LEU 41 HB2 LEU 41 -6.140 -6.864 -4.200 297 HB3 LEU 41 HB3 LEU 41 -4.764 -6.149 -3.399 298 HG LEU 41 HG LEU 41 -5.375 -5.766 -5.977 299 HD11 LEU 41 HD11 LEU 41 -2.607 -5.813 -4.814 300 HD12 LEU 41 HD12 LEU 41 -3.769 -4.496 -4.679 301 HD13 LEU 41 HD13 LEU 41 -3.104 -4.927 -6.253 302 HD21 LEU 41 HD21 LEU 41 -4.969 -8.078 -6.627 303 HD22 LEU 41 HD22 LEU 41 -3.328 -7.985 -5.976 304 HD23 LEU 41 HD23 LEU 41 -3.784 -7.006 -7.374 305 H PHE 42 H PHE 42 -3.588 -7.620 -1.513 306 HA PHE 42 HA PHE 42 -0.852 -7.657 -2.386 307 HB2 PHE 42 HB2 PHE 42 -2.201 -7.030 0.217 308 HB3 PHE 42 HB3 PHE 42 -0.444 -7.195 0.112 309 HD1 PHE 42 HD1 PHE 42 -3.296 -5.472 -1.567 310 HD2 PHE 42 HD2 PHE 42 0.828 -5.368 -0.478 311 HE1 PHE 42 HE1 PHE 42 -3.103 -3.217 -2.503 312 HE2 PHE 42 HE2 PHE 42 1.001 -3.097 -1.410 313 HZ PHE 42 HZ PHE 42 -0.953 -2.041 -2.419 314 H SER 43 H SER 43 -3.051 -9.848 -0.888 315 HA SER 43 HA SER 43 -1.139 -11.703 0.048 316 HB2 SER 43 HB2 SER 43 -3.959 -12.253 -0.910 317 HB3 SER 43 HB3 SER 43 -3.010 -13.188 0.225 318 HG SER 43 HG SER 43 -3.589 -10.501 0.757 319 H SER 44 H SER 44 -2.237 -10.739 -3.041 320 HA SER 44 HA SER 44 -1.705 -13.120 -4.487 321 HB2 SER 44 HB2 SER 44 -2.165 -11.878 -6.407 322 HB3 SER 44 HB3 SER 44 -3.037 -10.940 -5.189 323 HG SER 44 HG SER 44 -1.627 -9.361 -5.357 324 H ILE 45 H ILE 45 0.153 -10.283 -3.600 325 HA ILE 45 HA ILE 45 2.580 -11.011 -4.848 326 HB ILE 45 HB ILE 45 1.947 -9.277 -2.469 327 HG12 ILE 45 HG12 ILE 45 1.437 -8.632 -4.898 328 HG13 ILE 45 HG13 ILE 45 2.346 -7.472 -3.930 329 HG21 ILE 45 HG21 ILE 45 4.302 -8.509 -2.499 330 HG22 ILE 45 HG22 ILE 45 4.678 -9.793 -3.648 331 HG23 ILE 45 HG23 ILE 45 4.143 -10.202 -2.020 332 HD11 ILE 45 HD11 ILE 45 3.220 -7.738 -6.192 333 HD12 ILE 45 HD12 ILE 45 3.558 -9.435 -5.850 334 HD13 ILE 45 HD13 ILE 45 4.396 -8.166 -4.950 335 H GLY 46 H GLY 46 1.261 -11.651 -1.625 336 HA2 GLY 46 HA2 GLY 46 2.501 -14.083 -1.217 337 HA3 GLY 46 HA3 GLY 46 3.638 -12.870 -0.648 338 H GLU 47 H GLU 47 3.508 -13.463 1.487 339 HA GLU 47 HA GLU 47 0.946 -13.744 2.760 340 HB2 GLU 47 HB2 GLU 47 3.728 -14.346 3.405 341 HB3 GLU 47 HB3 GLU 47 2.813 -13.740 4.775 342 HG2 GLU 47 HG2 GLU 47 1.224 -15.487 4.586 343 HG3 GLU 47 HG3 GLU 47 1.916 -16.028 3.055 344 H VAL 48 H VAL 48 -0.190 -12.164 3.396 345 HA VAL 48 HA VAL 48 1.029 -9.626 4.175 346 HB VAL 48 HB VAL 48 -1.855 -10.401 3.736 347 HG11 VAL 48 HG11 VAL 48 -1.851 -8.685 5.373 348 HG12 VAL 48 HG12 VAL 48 -2.225 -7.915 3.830 349 HG13 VAL 48 HG13 VAL 48 -0.604 -7.783 4.518 350 HG21 VAL 48 HG21 VAL 48 -1.693 -9.079 1.722 351 HG22 VAL 48 HG22 VAL 48 -0.458 -10.345 1.723 352 HG23 VAL 48 HG23 VAL 48 -0.016 -8.677 2.098 353 H GLU 49 H GLU 49 1.367 -9.102 6.118 354 HA GLU 49 HA GLU 49 0.786 -10.892 8.240 355 HB2 GLU 49 HB2 GLU 49 2.875 -9.644 8.092 356 HB3 GLU 49 HB3 GLU 49 1.982 -8.136 8.283 357 HG2 GLU 49 HG2 GLU 49 1.278 -8.794 10.480 358 HG3 GLU 49 HG3 GLU 49 2.002 -10.382 10.272 359 H SER 50 H SER 50 -0.171 -7.572 7.381 360 HA SER 50 HA SER 50 -2.816 -8.010 8.437 361 HB2 SER 50 HB2 SER 50 -1.123 -5.887 9.664 362 HB3 SER 50 HB3 SER 50 -2.816 -6.161 10.012 363 HG SER 50 HG SER 50 -1.364 -8.421 10.344 364 H ALA 51 H ALA 51 -4.248 -6.935 7.138 365 HA ALA 51 HA ALA 51 -3.210 -4.571 5.731 366 HB1 ALA 51 HB1 ALA 51 -4.427 -5.115 3.762 367 HB2 ALA 51 HB2 ALA 51 -5.203 -6.494 4.549 368 HB3 ALA 51 HB3 ALA 51 -3.469 -6.519 4.220 369 H LYS 52 H LYS 52 -4.195 -2.789 6.149 370 HA LYS 52 HA LYS 52 -6.868 -2.865 7.363 371 HB2 LYS 52 HB2 LYS 52 -5.042 -1.935 8.730 372 HB3 LYS 52 HB3 LYS 52 -4.686 -0.774 7.460 373 HG2 LYS 52 HG2 LYS 52 -7.107 0.005 7.782 374 HG3 LYS 52 HG3 LYS 52 -7.016 -0.871 9.313 375 HD2 LYS 52 HD2 LYS 52 -5.023 1.189 8.433 376 HD3 LYS 52 HD3 LYS 52 -6.410 1.547 9.465 377 HE2 LYS 52 HE2 LYS 52 -4.205 -0.410 10.082 378 HE3 LYS 52 HE3 LYS 52 -4.344 1.214 10.752 379 HZ1 LYS 52 HZ1 LYS 52 -6.292 -0.995 11.143 380 HZ2 LYS 52 HZ2 LYS 52 -6.436 0.563 11.782 381 HZ3 LYS 52 HZ3 LYS 52 -5.179 -0.442 12.289 382 H LEU 53 H LEU 53 -8.510 -1.773 6.419 383 HA LEU 53 HA LEU 53 -7.901 -0.068 4.099 384 HB2 LEU 53 HB2 LEU 53 -9.415 -1.854 3.506 385 HB3 LEU 53 HB3 LEU 53 -10.438 -1.507 4.887 386 HG LEU 53 HG LEU 53 -10.475 0.890 3.595 387 HD11 LEU 53 HD11 LEU 53 -10.950 0.309 1.211 388 HD12 LEU 53 HD12 LEU 53 -10.265 -1.294 1.519 389 HD13 LEU 53 HD13 LEU 53 -9.257 0.148 1.683 390 HD21 LEU 53 HD21 LEU 53 -12.407 -0.301 4.487 391 HD22 LEU 53 HD22 LEU 53 -12.330 -1.461 3.160 392 HD23 LEU 53 HD23 LEU 53 -12.713 0.229 2.833 393 H ILE 54 H ILE 54 -8.418 2.053 4.209 394 HA ILE 54 HA ILE 54 -9.441 2.979 6.767 395 HB ILE 54 HB ILE 54 -8.444 4.605 4.442 396 HG12 ILE 54 HG12 ILE 54 -6.600 3.287 5.163 397 HG13 ILE 54 HG13 ILE 54 -6.374 4.878 5.874 398 HG21 ILE 54 HG21 ILE 54 -8.902 5.341 7.330 399 HG22 ILE 54 HG22 ILE 54 -9.890 5.839 5.960 400 HG23 ILE 54 HG23 ILE 54 -8.225 6.403 6.096 401 HD11 ILE 54 HD11 ILE 54 -5.811 3.151 7.460 402 HD12 ILE 54 HD12 ILE 54 -7.403 2.421 7.273 403 HD13 ILE 54 HD13 ILE 54 -7.249 4.018 8.003 404 H ARG 55 H ARG 55 -11.504 3.411 7.029 405 HA ARG 55 HA ARG 55 -13.095 4.269 4.725 406 HB2 ARG 55 HB2 ARG 55 -13.266 1.769 5.211 407 HB3 ARG 55 HB3 ARG 55 -14.075 2.223 6.701 408 HG2 ARG 55 HG2 ARG 55 -15.962 2.913 5.635 409 HG3 ARG 55 HG3 ARG 55 -15.107 3.305 4.142 410 HD2 ARG 55 HD2 ARG 55 -16.476 1.361 3.776 411 HD3 ARG 55 HD3 ARG 55 -14.772 0.889 3.740 412 HE ARG 55 HE ARG 55 -15.853 0.569 6.347 413 HH11 ARG 55 HH11 ARG 55 -15.850 -0.903 3.171 414 HH12 ARG 55 HH12 ARG 55 -16.166 -2.503 3.773 415 HH21 ARG 55 HH21 ARG 55 -16.250 -1.531 7.144 416 HH22 ARG 55 HH22 ARG 55 -16.388 -2.857 6.033 417 H ASP 56 H ASP 56 -14.996 5.424 5.300 418 HA ASP 56 HA ASP 56 -14.379 7.259 7.387 419 HB2 ASP 56 HB2 ASP 56 -15.508 7.853 5.206 420 HB3 ASP 56 HB3 ASP 56 -16.969 7.153 5.877 421 H LYS 57 H LYS 57 -15.247 7.600 9.255 422 HA LYS 57 HA LYS 57 -16.335 5.539 10.764 423 HB2 LYS 57 HB2 LYS 57 -16.184 7.056 12.534 424 HB3 LYS 57 HB3 LYS 57 -14.857 7.415 11.465 425 HG2 LYS 57 HG2 LYS 57 -17.363 8.970 11.876 426 HG3 LYS 57 HG3 LYS 57 -15.720 9.467 12.214 427 HD2 LYS 57 HD2 LYS 57 -15.300 9.294 9.712 428 HD3 LYS 57 HD3 LYS 57 -17.054 9.133 9.522 429 HE2 LYS 57 HE2 LYS 57 -17.390 11.294 10.551 430 HE3 LYS 57 HE3 LYS 57 -15.663 11.453 10.872 431 HZ1 LYS 57 HZ1 LYS 57 -16.900 11.276 8.178 432 HZ2 LYS 57 HZ2 LYS 57 -15.251 11.452 8.495 433 HZ3 LYS 57 HZ3 LYS 57 -16.326 12.691 8.903 434 H VAL 58 H VAL 58 -17.887 7.642 8.680 435 HA VAL 58 HA VAL 58 -20.457 7.258 10.046 436 HB VAL 58 HB VAL 58 -19.323 9.804 8.914 437 HG11 VAL 58 HG11 VAL 58 -21.601 9.604 8.107 438 HG12 VAL 58 HG12 VAL 58 -21.484 10.848 9.350 439 HG13 VAL 58 HG13 VAL 58 -22.165 9.270 9.743 440 HG21 VAL 58 HG21 VAL 58 -19.389 10.607 11.060 441 HG22 VAL 58 HG22 VAL 58 -18.983 8.904 11.314 442 HG23 VAL 58 HG23 VAL 58 -20.637 9.465 11.558 443 H ALA 59 H ALA 59 -19.009 8.446 7.046 444 HA ALA 59 HA ALA 59 -21.399 7.955 5.578 445 HB1 ALA 59 HB1 ALA 59 -20.192 8.788 3.654 446 HB2 ALA 59 HB2 ALA 59 -18.677 8.693 4.550 447 HB3 ALA 59 HB3 ALA 59 -19.930 9.827 5.053 448 H GLY 60 H GLY 60 -19.030 5.961 6.589 449 HA2 GLY 60 HA2 GLY 60 -18.531 3.762 6.194 450 HA3 GLY 60 HA3 GLY 60 -20.132 3.678 5.481 451 H HIS 61 H HIS 61 -17.504 5.644 4.187 452 HA HIS 61 HA HIS 61 -17.209 3.649 2.045 453 HB2 HIS 61 HB2 HIS 61 -16.991 5.389 0.366 454 HB3 HIS 61 HB3 HIS 61 -18.521 5.580 1.204 455 HD1 HIS 61 HD1 HIS 61 -19.035 7.899 1.908 456 HD2 HIS 61 HD2 HIS 61 -14.957 7.321 1.357 457 HE1 HIS 61 HE1 HIS 61 -17.983 10.156 2.219 458 HE2 HIS 61 HE2 HIS 61 -15.554 9.815 1.671 459 H SER 62 H SER 62 -15.163 3.429 1.125 460 HA SER 62 HA SER 62 -13.025 3.672 2.917 461 HB2 SER 62 HB2 SER 62 -12.743 3.385 -0.074 462 HB3 SER 62 HB3 SER 62 -11.693 2.739 1.186 463 HG SER 62 HG SER 62 -12.886 1.010 0.803 464 H LEU 63 H LEU 63 -11.263 5.110 2.975 465 HA LEU 63 HA LEU 63 -11.960 7.737 1.893 466 HB2 LEU 63 HB2 LEU 63 -10.000 6.983 4.057 467 HB3 LEU 63 HB3 LEU 63 -10.367 8.622 3.551 468 HG LEU 63 HG LEU 63 -12.257 6.685 4.885 469 HD11 LEU 63 HD11 LEU 63 -11.086 9.302 5.803 470 HD12 LEU 63 HD12 LEU 63 -10.638 7.701 6.389 471 HD13 LEU 63 HD13 LEU 63 -12.260 8.328 6.686 472 HD21 LEU 63 HD21 LEU 63 -13.529 7.936 3.290 473 HD22 LEU 63 HD22 LEU 63 -12.749 9.442 3.776 474 HD23 LEU 63 HD23 LEU 63 -13.835 8.614 4.890 475 H GLY 64 H GLY 64 -10.541 5.496 0.433 476 HA2 GLY 64 HA2 GLY 64 -9.382 5.818 -1.555 477 HA3 GLY 64 HA3 GLY 64 -8.876 7.391 -0.977 478 H TYR 65 H TYR 65 -8.201 5.077 1.370 479 HA TYR 65 HA TYR 65 -5.746 4.144 0.208 480 HB2 TYR 65 HB2 TYR 65 -4.172 5.295 1.600 481 HB3 TYR 65 HB3 TYR 65 -5.184 6.499 0.820 482 HD1 TYR 65 HD1 TYR 65 -3.672 5.564 3.779 483 HD2 TYR 65 HD2 TYR 65 -7.299 7.219 2.308 484 HE1 TYR 65 HE1 TYR 65 -4.090 6.576 5.965 485 HE2 TYR 65 HE2 TYR 65 -7.729 8.236 4.498 486 HH TYR 65 HH TYR 65 -7.036 7.749 6.938 487 H GLY 66 H GLY 66 -4.356 2.982 1.821 488 HA2 GLY 66 HA2 GLY 66 -5.624 2.023 4.230 489 HA3 GLY 66 HA3 GLY 66 -5.583 0.843 2.933 490 H PHE 67 H PHE 67 -4.284 -0.120 4.895 491 HA PHE 67 HA PHE 67 -1.434 0.382 4.385 492 HB2 PHE 67 HB2 PHE 67 -2.711 0.321 7.130 493 HB3 PHE 67 HB3 PHE 67 -0.980 0.283 6.845 494 HD1 PHE 67 HD1 PHE 67 0.140 2.276 5.849 495 HD2 PHE 67 HD2 PHE 67 -3.924 2.331 7.106 496 HE1 PHE 67 HE1 PHE 67 0.190 4.735 5.893 497 HE2 PHE 67 HE2 PHE 67 -3.883 4.788 7.148 498 HZ PHE 67 HZ PHE 67 -1.824 5.994 6.543 499 H VAL 68 H VAL 68 -0.815 -1.602 3.623 500 HA VAL 68 HA VAL 68 -1.599 -3.896 5.251 501 HB VAL 68 HB VAL 68 -2.426 -4.725 3.378 502 HG11 VAL 68 HG11 VAL 68 -2.422 -2.634 2.259 503 HG12 VAL 68 HG12 VAL 68 -1.946 -3.902 1.128 504 HG13 VAL 68 HG13 VAL 68 -0.724 -2.828 1.814 505 HG21 VAL 68 HG21 VAL 68 -0.936 -5.979 1.932 506 HG22 VAL 68 HG22 VAL 68 -0.404 -6.113 3.607 507 HG23 VAL 68 HG23 VAL 68 0.442 -5.033 2.494 508 H ASN 69 H ASN 69 -0.138 -4.569 6.516 509 HA ASN 69 HA ASN 69 2.693 -4.214 6.006 510 HB2 ASN 69 HB2 ASN 69 1.493 -3.926 8.273 511 HB3 ASN 69 HB3 ASN 69 1.417 -5.673 8.310 512 HD21 ASN 69 HD21 ASN 69 3.248 -6.856 8.680 513 HD22 ASN 69 HD22 ASN 69 4.733 -6.139 9.193 514 H TYR 70 H TYR 70 3.935 -5.764 5.142 515 HA TYR 70 HA TYR 70 2.797 -8.403 4.667 516 HB2 TYR 70 HB2 TYR 70 5.188 -6.902 3.687 517 HB3 TYR 70 HB3 TYR 70 5.190 -8.654 3.590 518 HD1 TYR 70 HD1 TYR 70 4.072 -5.605 2.071 519 HD2 TYR 70 HD2 TYR 70 3.326 -9.788 2.330 520 HE1 TYR 70 HE1 TYR 70 2.801 -5.512 -0.028 521 HE2 TYR 70 HE2 TYR 70 2.059 -9.701 0.230 522 HH TYR 70 HH TYR 70 0.972 -8.229 -1.186 523 H VAL 71 H VAL 71 4.125 -10.328 5.031 524 HA VAL 71 HA VAL 71 5.148 -10.418 7.708 525 HB VAL 71 HB VAL 71 5.570 -12.774 7.295 526 HG11 VAL 71 HG11 VAL 71 2.956 -11.835 6.115 527 HG12 VAL 71 HG12 VAL 71 3.292 -12.150 7.817 528 HG13 VAL 71 HG13 VAL 71 3.285 -13.483 6.660 529 HG21 VAL 71 HG21 VAL 71 4.874 -12.204 4.416 530 HG22 VAL 71 HG22 VAL 71 5.172 -13.797 5.111 531 HG23 VAL 71 HG23 VAL 71 6.474 -12.610 5.036 532 H THR 72 H THR 72 6.387 -9.804 4.614 533 HA THR 72 HA THR 72 9.173 -9.901 5.573 534 HB THR 72 HB THR 72 9.677 -9.987 3.047 535 HG1 THR 72 HG1 THR 72 7.745 -11.318 2.107 536 HG21 THR 72 HG21 THR 72 9.522 -12.412 2.928 537 HG22 THR 72 HG22 THR 72 8.451 -12.420 4.340 538 HG23 THR 72 HG23 THR 72 10.125 -11.883 4.502 539 H ALA 73 H ALA 73 10.537 -8.188 4.721 540 HA ALA 73 HA ALA 73 9.118 -5.836 3.744 541 HB1 ALA 73 HB1 ALA 73 12.062 -6.286 4.270 542 HB2 ALA 73 HB2 ALA 73 10.922 -5.462 5.338 543 HB3 ALA 73 HB3 ALA 73 11.331 -4.761 3.774 544 H LYS 74 H LYS 74 10.691 -8.602 2.697 545 HA LYS 74 HA LYS 74 11.653 -7.895 0.154 546 HB2 LYS 74 HB2 LYS 74 12.403 -9.894 1.158 547 HB3 LYS 74 HB3 LYS 74 10.770 -10.464 1.430 548 HG2 LYS 74 HG2 LYS 74 11.286 -10.028 -1.371 549 HG3 LYS 74 HG3 LYS 74 12.442 -11.153 -0.649 550 HD2 LYS 74 HD2 LYS 74 10.800 -12.656 -0.037 551 HD3 LYS 74 HD3 LYS 74 9.527 -11.433 -0.055 552 HE2 LYS 74 HE2 LYS 74 9.199 -12.823 -1.963 553 HE3 LYS 74 HE3 LYS 74 9.840 -11.275 -2.523 554 HZ1 LYS 74 HZ1 LYS 74 11.460 -13.732 -2.114 555 HZ2 LYS 74 HZ2 LYS 74 12.013 -12.258 -2.730 556 HZ3 LYS 74 HZ3 LYS 74 10.901 -13.174 -3.611 557 H ASP 75 H ASP 75 8.553 -9.427 1.071 558 HA ASP 75 HA ASP 75 7.506 -9.186 -1.594 559 HB2 ASP 75 HB2 ASP 75 6.191 -9.902 1.033 560 HB3 ASP 75 HB3 ASP 75 5.332 -9.869 -0.501 561 H ALA 76 H ALA 76 7.727 -7.087 1.095 562 HA ALA 76 HA ALA 76 5.566 -5.346 0.529 563 HB1 ALA 76 HB1 ALA 76 8.248 -4.796 1.823 564 HB2 ALA 76 HB2 ALA 76 6.740 -5.206 2.644 565 HB3 ALA 76 HB3 ALA 76 6.893 -3.667 1.798 566 H GLU 77 H GLU 77 9.012 -5.089 -0.331 567 HA GLU 77 HA GLU 77 8.779 -3.039 -2.241 568 HB2 GLU 77 HB2 GLU 77 10.947 -3.691 -1.449 569 HB3 GLU 77 HB3 GLU 77 10.699 -5.359 -1.946 570 HG2 GLU 77 HG2 GLU 77 10.631 -4.550 -4.307 571 HG3 GLU 77 HG3 GLU 77 11.131 -2.970 -3.711 572 H ARG 78 H ARG 78 8.175 -6.474 -2.382 573 HA ARG 78 HA ARG 78 8.158 -6.779 -5.182 574 HB2 ARG 78 HB2 ARG 78 8.388 -8.568 -3.435 575 HB3 ARG 78 HB3 ARG 78 6.670 -8.396 -3.124 576 HG2 ARG 78 HG2 ARG 78 6.156 -9.135 -5.354 577 HG3 ARG 78 HG3 ARG 78 7.874 -9.202 -5.758 578 HD2 ARG 78 HD2 ARG 78 8.209 -10.887 -4.018 579 HD3 ARG 78 HD3 ARG 78 6.493 -10.827 -3.629 580 HE ARG 78 HE ARG 78 7.061 -11.472 -6.378 581 HH11 ARG 78 HH11 ARG 78 6.563 -12.704 -3.139 582 HH12 ARG 78 HH12 ARG 78 6.174 -14.310 -3.678 583 HH21 ARG 78 HH21 ARG 78 6.565 -13.585 -7.088 584 HH22 ARG 78 HH22 ARG 78 6.171 -14.812 -5.927 585 H ALA 79 H ALA 79 5.692 -6.020 -2.771 586 HA ALA 79 HA ALA 79 3.532 -6.002 -4.592 587 HB1 ALA 79 HB1 ALA 79 2.331 -4.710 -2.821 588 HB2 ALA 79 HB2 ALA 79 3.840 -4.670 -1.899 589 HB3 ALA 79 HB3 ALA 79 3.059 -6.213 -2.247 590 H ILE 80 H ILE 80 5.850 -3.575 -3.565 591 HA ILE 80 HA ILE 80 4.519 -1.410 -4.818 592 HB ILE 80 HB ILE 80 7.432 -1.638 -4.194 593 HG12 ILE 80 HG12 ILE 80 5.150 -0.592 -2.515 594 HG13 ILE 80 HG13 ILE 80 6.003 -2.105 -2.242 595 HG21 ILE 80 HG21 ILE 80 7.372 0.781 -4.115 596 HG22 ILE 80 HG22 ILE 80 5.649 0.766 -4.512 597 HG23 ILE 80 HG23 ILE 80 6.837 0.201 -5.697 598 HD11 ILE 80 HD11 ILE 80 6.731 -0.327 -0.748 599 HD12 ILE 80 HD12 ILE 80 7.245 0.619 -2.145 600 HD13 ILE 80 HD13 ILE 80 8.030 -0.918 -1.781 601 H ASN 81 H ASN 81 6.995 -3.651 -5.973 602 HA ASN 81 HA ASN 81 7.227 -2.104 -8.403 603 HB2 ASN 81 HB2 ASN 81 8.816 -3.875 -9.116 604 HB3 ASN 81 HB3 ASN 81 9.250 -3.065 -7.613 605 HD21 ASN 81 HD21 ASN 81 10.352 -4.499 -6.517 606 HD22 ASN 81 HD22 ASN 81 9.834 -6.101 -6.135 607 H THR 82 H THR 82 5.558 -4.899 -7.286 608 HA THR 82 HA THR 82 4.779 -5.649 -9.962 609 HB THR 82 HB THR 82 4.388 -6.849 -7.265 610 HG1 THR 82 HG1 THR 82 6.287 -7.378 -8.314 611 HG21 THR 82 HG21 THR 82 2.241 -7.252 -8.133 612 HG22 THR 82 HG22 THR 82 3.151 -8.725 -8.489 613 HG23 THR 82 HG23 THR 82 2.867 -7.538 -9.763 614 H LEU 83 H LEU 83 3.050 -4.809 -6.943 615 HA LEU 83 HA LEU 83 0.545 -4.748 -8.326 616 HB2 LEU 83 HB2 LEU 83 1.304 -4.103 -5.514 617 HB3 LEU 83 HB3 LEU 83 -0.339 -4.001 -6.094 618 HG LEU 83 HG LEU 83 1.366 -6.488 -5.879 619 HD11 LEU 83 HD11 LEU 83 0.550 -6.241 -3.784 620 HD12 LEU 83 HD12 LEU 83 -0.879 -7.000 -4.508 621 HD13 LEU 83 HD13 LEU 83 -0.803 -5.242 -4.312 622 HD21 LEU 83 HD21 LEU 83 -1.392 -6.151 -7.048 623 HD22 LEU 83 HD22 LEU 83 -0.673 -7.702 -6.609 624 HD23 LEU 83 HD23 LEU 83 0.058 -6.714 -7.881 625 H ASN 84 H ASN 84 2.614 -2.252 -6.825 626 HA ASN 84 HA ASN 84 0.937 -0.119 -6.693 627 HB2 ASN 84 HB2 ASN 84 3.372 -0.165 -6.095 628 HB3 ASN 84 HB3 ASN 84 3.741 0.090 -7.794 629 HD21 ASN 84 HD21 ASN 84 4.588 1.791 -5.802 630 HD22 ASN 84 HD22 ASN 84 3.815 3.314 -6.003 631 H GLY 85 H GLY 85 -0.416 0.820 -8.032 632 HA2 GLY 85 HA2 GLY 85 -1.145 1.829 -10.018 633 HA3 GLY 85 HA3 GLY 85 0.231 1.130 -10.861 634 H LEU 86 H LEU 86 -1.822 -0.761 -8.762 635 HA LEU 86 HA LEU 86 -2.448 -2.522 -10.981 636 HB2 LEU 86 HB2 LEU 86 -1.876 -2.952 -8.331 637 HB3 LEU 86 HB3 LEU 86 -3.619 -3.074 -8.332 638 HG LEU 86 HG LEU 86 -2.580 -5.266 -8.533 639 HD11 LEU 86 HD11 LEU 86 -3.742 -6.076 -10.521 640 HD12 LEU 86 HD12 LEU 86 -3.947 -4.414 -11.076 641 HD13 LEU 86 HD13 LEU 86 -4.739 -4.952 -9.596 642 HD21 LEU 86 HD21 LEU 86 -1.469 -4.372 -11.179 643 HD22 LEU 86 HD22 LEU 86 -1.182 -5.896 -10.334 644 HD23 LEU 86 HD23 LEU 86 -0.532 -4.389 -9.687 645 H ARG 87 H ARG 87 -4.488 -2.866 -11.787 646 HA ARG 87 HA ARG 87 -6.413 -0.797 -11.262 647 HB2 ARG 87 HB2 ARG 87 -5.784 -1.905 -13.531 648 HB3 ARG 87 HB3 ARG 87 -6.894 -3.173 -13.029 649 HG2 ARG 87 HG2 ARG 87 -8.056 -1.622 -14.429 650 HG3 ARG 87 HG3 ARG 87 -8.649 -1.467 -12.774 651 HD2 ARG 87 HD2 ARG 87 -8.277 0.716 -13.912 652 HD3 ARG 87 HD3 ARG 87 -7.359 0.517 -12.419 653 HE ARG 87 HE ARG 87 -5.520 -0.231 -14.119 654 HH11 ARG 87 HH11 ARG 87 -7.818 2.385 -14.516 655 HH12 ARG 87 HH12 ARG 87 -6.743 3.341 -15.487 656 HH21 ARG 87 HH21 ARG 87 -4.114 1.016 -15.382 657 HH22 ARG 87 HH22 ARG 87 -4.635 2.556 -15.989 658 H LEU 88 H LEU 88 -7.045 -1.210 -9.156 659 HA LEU 88 HA LEU 88 -8.371 -3.733 -8.557 660 HB2 LEU 88 HB2 LEU 88 -7.184 -1.542 -7.027 661 HB3 LEU 88 HB3 LEU 88 -8.714 -2.107 -6.381 662 HG LEU 88 HG LEU 88 -6.350 -3.894 -6.941 663 HD11 LEU 88 HD11 LEU 88 -5.864 -2.289 -5.164 664 HD12 LEU 88 HD12 LEU 88 -6.045 -3.924 -4.527 665 HD13 LEU 88 HD13 LEU 88 -7.353 -2.753 -4.341 666 HD21 LEU 88 HD21 LEU 88 -8.965 -4.333 -5.507 667 HD22 LEU 88 HD22 LEU 88 -7.631 -5.488 -5.566 668 HD23 LEU 88 HD23 LEU 88 -8.480 -5.044 -7.047 669 H GLN 89 H GLN 89 -10.404 -3.869 -9.259 670 HA GLN 89 HA GLN 89 -12.577 -3.361 -9.706 671 HB2 GLN 89 HB2 GLN 89 -12.152 -1.466 -7.427 672 HB3 GLN 89 HB3 GLN 89 -13.724 -1.912 -8.069 673 HG2 GLN 89 HG2 GLN 89 -13.204 -4.281 -7.479 674 HG3 GLN 89 HG3 GLN 89 -11.745 -3.697 -6.679 675 HE21 GLN 89 HE21 GLN 89 -13.026 -1.263 -5.769 676 HE22 GLN 89 HE22 GLN 89 -14.062 -1.712 -4.463 677 H SER 90 H SER 90 -10.558 -1.960 -11.132 678 HA SER 90 HA SER 90 -10.587 -0.547 -12.935 679 HB2 SER 90 HB2 SER 90 -13.175 -0.622 -12.560 680 HB3 SER 90 HB3 SER 90 -12.937 0.995 -11.917 681 HG SER 90 HG SER 90 -11.871 0.267 -14.428 682 H LYS 91 H LYS 91 -10.296 0.179 -9.766 683 HA LYS 91 HA LYS 91 -9.400 2.939 -10.224 684 HB2 LYS 91 HB2 LYS 91 -10.687 1.610 -8.054 685 HB3 LYS 91 HB3 LYS 91 -9.109 2.152 -7.503 686 HG2 LYS 91 HG2 LYS 91 -11.107 3.929 -8.850 687 HG3 LYS 91 HG3 LYS 91 -10.912 3.778 -7.105 688 HD2 LYS 91 HD2 LYS 91 -8.349 4.146 -8.221 689 HD3 LYS 91 HD3 LYS 91 -9.419 5.362 -8.918 690 HE2 LYS 91 HE2 LYS 91 -10.164 5.909 -6.607 691 HE3 LYS 91 HE3 LYS 91 -8.920 4.822 -6.005 692 HZ1 LYS 91 HZ1 LYS 91 -8.442 7.242 -7.657 693 HZ2 LYS 91 HZ2 LYS 91 -7.251 6.190 -7.087 694 HZ3 LYS 91 HZ3 LYS 91 -8.160 7.108 -5.995 695 H THR 92 H THR 92 -7.265 3.495 -10.134 696 HA THR 92 HA THR 92 -5.385 1.285 -9.940 697 HB THR 92 HB THR 92 -4.394 4.007 -10.551 698 HG1 THR 92 HG1 THR 92 -6.328 3.987 -11.759 699 HG21 THR 92 HG21 THR 92 -3.966 1.311 -11.836 700 HG22 THR 92 HG22 THR 92 -2.920 2.053 -10.626 701 HG23 THR 92 HG23 THR 92 -3.084 2.790 -12.218 702 H ILE 93 H ILE 93 -3.888 1.057 -8.353 703 HA ILE 93 HA ILE 93 -4.291 2.779 -6.024 704 HB ILE 93 HB ILE 93 -3.416 0.847 -4.727 705 HG12 ILE 93 HG12 ILE 93 -3.458 -1.382 -5.938 706 HG13 ILE 93 HG13 ILE 93 -3.457 -0.491 -7.446 707 HG21 ILE 93 HG21 ILE 93 -5.818 1.310 -5.133 708 HG22 ILE 93 HG22 ILE 93 -5.470 -0.397 -4.857 709 HG23 ILE 93 HG23 ILE 93 -5.763 0.192 -6.498 710 HD11 ILE 93 HD11 ILE 93 -1.261 -1.134 -7.090 711 HD12 ILE 93 HD12 ILE 93 -1.340 -0.754 -5.379 712 HD13 ILE 93 HD13 ILE 93 -1.311 0.553 -6.561 713 H LYS 94 H LYS 94 -2.438 3.024 -4.489 714 HA LYS 94 HA LYS 94 0.207 2.957 -5.812 715 HB2 LYS 94 HB2 LYS 94 -0.271 5.279 -5.700 716 HB3 LYS 94 HB3 LYS 94 -0.987 5.130 -4.100 717 HG2 LYS 94 HG2 LYS 94 1.321 4.501 -3.266 718 HG3 LYS 94 HG3 LYS 94 1.923 5.025 -4.840 719 HD2 LYS 94 HD2 LYS 94 1.414 7.236 -4.449 720 HD3 LYS 94 HD3 LYS 94 0.139 6.850 -3.300 721 HE2 LYS 94 HE2 LYS 94 1.973 7.833 -2.109 722 HE3 LYS 94 HE3 LYS 94 1.879 6.128 -1.686 723 HZ1 LYS 94 HZ1 LYS 94 4.161 6.943 -2.085 724 HZ2 LYS 94 HZ2 LYS 94 3.753 7.249 -3.699 725 HZ3 LYS 94 HZ3 LYS 94 3.729 5.661 -3.110 726 H VAL 95 H VAL 95 0.998 1.131 -4.796 727 HA VAL 95 HA VAL 95 0.909 1.113 -1.875 728 HB VAL 95 HB VAL 95 0.893 -1.088 -1.950 729 HG11 VAL 95 HG11 VAL 95 0.844 -0.721 -4.926 730 HG12 VAL 95 HG12 VAL 95 -0.537 -0.796 -3.832 731 HG13 VAL 95 HG13 VAL 95 0.464 -2.231 -4.097 732 HG21 VAL 95 HG21 VAL 95 2.625 -2.396 -3.254 733 HG22 VAL 95 HG22 VAL 95 3.200 -1.319 -1.978 734 HG23 VAL 95 HG23 VAL 95 3.315 -0.824 -3.665 735 H SER 96 H SER 96 2.608 1.545 -0.665 736 HA SER 96 HA SER 96 5.302 1.657 -1.685 737 HB2 SER 96 HB2 SER 96 3.862 4.207 -0.852 738 HB3 SER 96 HB3 SER 96 5.587 4.081 -1.189 739 HG SER 96 HG SER 96 4.133 3.063 -3.228 740 H TYR 97 H TYR 97 6.827 2.081 0.112 741 HA TYR 97 HA TYR 97 6.080 0.801 2.519 742 HB2 TYR 97 HB2 TYR 97 8.364 2.757 2.337 743 HB3 TYR 97 HB3 TYR 97 8.230 1.319 3.337 744 HD1 TYR 97 HD1 TYR 97 9.540 2.688 0.361 745 HD2 TYR 97 HD2 TYR 97 8.180 -0.966 2.072 746 HE1 TYR 97 HE1 TYR 97 10.831 1.440 -1.315 747 HE2 TYR 97 HE2 TYR 97 9.477 -2.229 0.399 748 HH TYR 97 HH TYR 97 10.410 -1.856 -1.881 749 H ALA 98 H ALA 98 4.509 1.619 3.753 750 HA ALA 98 HA ALA 98 4.037 4.399 4.089 751 HB1 ALA 98 HB1 ALA 98 2.383 2.458 4.475 752 HB2 ALA 98 HB2 ALA 98 2.340 3.807 5.608 753 HB3 ALA 98 HB3 ALA 98 3.146 2.301 6.060 754 H ARG 99 H ARG 99 5.376 5.704 5.094 755 HA ARG 99 HA ARG 99 7.758 5.144 6.183 756 HB2 ARG 99 HB2 ARG 99 7.490 7.363 7.457 757 HB3 ARG 99 HB3 ARG 99 7.333 7.384 5.705 758 HG2 ARG 99 HG2 ARG 99 4.846 7.227 6.038 759 HG3 ARG 99 HG3 ARG 99 5.141 7.509 7.753 760 HD2 ARG 99 HD2 ARG 99 6.032 9.659 7.338 761 HD3 ARG 99 HD3 ARG 99 6.135 9.359 5.604 762 HE ARG 99 HE ARG 99 3.606 9.668 7.089 763 HH11 ARG 99 HH11 ARG 99 5.551 10.120 4.204 764 HH12 ARG 99 HH12 ARG 99 4.239 10.811 3.293 765 HH21 ARG 99 HH21 ARG 99 1.899 10.580 5.888 766 HH22 ARG 99 HH22 ARG 99 2.171 11.075 4.247 767 HA PRO 100 HA PRO 100 6.677 2.889 9.920 768 HB2 PRO 100 HB2 PRO 100 9.620 2.749 10.076 769 HB3 PRO 100 HB3 PRO 100 8.432 1.451 10.119 770 HG2 PRO 100 HG2 PRO 100 9.951 1.832 7.966 771 HG3 PRO 100 HG3 PRO 100 8.252 1.344 7.817 772 HD2 PRO 100 HD2 PRO 100 9.494 4.033 7.437 773 HD3 PRO 100 HD3 PRO 100 8.208 3.242 6.505 774 H SER 101 H SER 101 6.222 3.883 11.724 775 HA SER 101 HA SER 101 6.063 5.519 13.257 776 HB2 SER 101 HB2 SER 101 7.930 5.314 14.842 777 HB3 SER 101 HB3 SER 101 7.279 3.776 14.334 778 HG SER 101 HG SER 101 9.425 4.825 12.890 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 16.858 8.049 -14.064 2 H2 GLY 1 H2 GLY 1 17.333 8.949 -12.716 3 H3 GLY 1 H3 GLY 1 16.310 9.638 -13.874 4 HA2 GLY 1 HA2 GLY 1 15.048 9.018 -11.930 5 HA3 GLY 1 HA3 GLY 1 14.572 8.057 -13.322 6 H HIS 2 H HIS 2 14.253 7.389 -10.531 7 HA HIS 2 HA HIS 2 15.719 4.863 -10.540 8 HB2 HIS 2 HB2 HIS 2 16.211 5.108 -8.096 9 HB3 HIS 2 HB3 HIS 2 17.104 6.217 -9.125 10 HD1 HIS 2 HD1 HIS 2 14.469 6.119 -6.475 11 HD2 HIS 2 HD2 HIS 2 16.471 8.930 -8.791 12 HE1 HIS 2 HE1 HIS 2 13.922 8.348 -5.457 13 HE2 HIS 2 HE2 HIS 2 15.272 10.014 -6.773 14 H MET 3 H MET 3 12.964 6.739 -9.598 15 HA MET 3 HA MET 3 11.402 4.331 -9.372 16 HB2 MET 3 HB2 MET 3 12.218 4.594 -7.062 17 HB3 MET 3 HB3 MET 3 11.588 6.233 -7.024 18 HG2 MET 3 HG2 MET 3 10.109 4.725 -5.850 19 HG3 MET 3 HG3 MET 3 9.317 5.370 -7.284 20 HE1 MET 3 HE1 MET 3 12.002 2.474 -6.971 21 HE2 MET 3 HE2 MET 3 10.941 1.069 -6.881 22 HE3 MET 3 HE3 MET 3 10.941 2.259 -5.580 23 H SER 4 H SER 4 10.278 5.087 -11.132 24 HA SER 4 HA SER 4 9.195 7.770 -11.123 25 HB2 SER 4 HB2 SER 4 8.842 5.561 -13.162 26 HB3 SER 4 HB3 SER 4 8.460 7.267 -13.389 27 HG SER 4 HG SER 4 10.795 6.004 -13.738 28 H ASN 5 H ASN 5 7.922 7.137 -9.107 29 HA ASN 5 HA ASN 5 5.320 6.084 -9.987 30 HB2 ASN 5 HB2 ASN 5 4.878 5.232 -7.831 31 HB3 ASN 5 HB3 ASN 5 6.550 4.792 -8.140 32 HD21 ASN 5 HD21 ASN 5 4.386 6.556 -6.167 33 HD22 ASN 5 HD22 ASN 5 5.541 7.156 -5.033 34 H GLY 6 H GLY 6 3.655 7.451 -9.965 35 HA2 GLY 6 HA2 GLY 6 4.107 10.220 -9.440 36 HA3 GLY 6 HA3 GLY 6 2.589 9.494 -9.938 37 H TYR 7 H TYR 7 4.682 9.314 -7.107 38 HA TYR 7 HA TYR 7 2.987 10.561 -5.258 39 HB2 TYR 7 HB2 TYR 7 1.836 8.201 -5.898 40 HB3 TYR 7 HB3 TYR 7 2.982 7.619 -4.699 41 HD1 TYR 7 HD1 TYR 7 -0.195 9.137 -5.243 42 HD2 TYR 7 HD2 TYR 7 2.913 8.715 -2.367 43 HE1 TYR 7 HE1 TYR 7 -1.761 9.790 -3.466 44 HE2 TYR 7 HE2 TYR 7 1.354 9.364 -0.579 45 HH TYR 7 HH TYR 7 -2.004 9.500 -1.022 46 H GLU 8 H GLU 8 5.617 10.669 -5.989 47 HA GLU 8 HA GLU 8 7.164 8.835 -4.349 48 HB2 GLU 8 HB2 GLU 8 9.091 9.606 -5.574 49 HB3 GLU 8 HB3 GLU 8 7.805 9.217 -6.701 50 HG2 GLU 8 HG2 GLU 8 8.263 12.026 -5.773 51 HG3 GLU 8 HG3 GLU 8 9.181 11.330 -7.106 52 H ASP 9 H ASP 9 8.871 9.547 -3.016 53 HA ASP 9 HA ASP 9 9.444 11.985 -1.977 54 HB2 ASP 9 HB2 ASP 9 7.248 12.556 -1.371 55 HB3 ASP 9 HB3 ASP 9 6.863 10.909 -0.891 56 H HIS 10 H HIS 10 8.391 8.851 -1.153 57 HA HIS 10 HA HIS 10 10.016 8.450 1.155 58 HB2 HIS 10 HB2 HIS 10 9.238 6.028 0.829 59 HB3 HIS 10 HB3 HIS 10 7.982 7.233 1.079 60 HD1 HIS 10 HD1 HIS 10 6.260 7.515 -0.747 61 HD2 HIS 10 HD2 HIS 10 9.459 5.128 -1.914 62 HE1 HIS 10 HE1 HIS 10 5.625 6.582 -2.992 63 HE2 HIS 10 HE2 HIS 10 7.656 5.312 -3.762 64 H MET 11 H MET 11 11.724 9.206 -0.936 65 HA MET 11 HA MET 11 13.390 6.793 -1.066 66 HB2 MET 11 HB2 MET 11 13.285 8.653 -3.427 67 HB3 MET 11 HB3 MET 11 13.970 7.045 -3.335 68 HG2 MET 11 HG2 MET 11 12.072 6.739 -4.603 69 HG3 MET 11 HG3 MET 11 11.551 6.256 -2.990 70 HE1 MET 11 HE1 MET 11 12.121 10.049 -3.926 71 HE2 MET 11 HE2 MET 11 10.609 10.423 -4.751 72 HE3 MET 11 HE3 MET 11 11.745 9.283 -5.470 73 H ALA 12 H ALA 12 13.149 9.649 0.240 74 HA ALA 12 HA ALA 12 15.944 10.282 0.128 75 HB1 ALA 12 HB1 ALA 12 15.766 12.460 -0.900 76 HB2 ALA 12 HB2 ALA 12 14.028 12.243 -1.116 77 HB3 ALA 12 HB3 ALA 12 15.160 11.224 -2.003 78 H GLU 13 H GLU 13 12.677 11.351 1.087 79 HA GLU 13 HA GLU 13 13.775 12.350 3.582 80 HB2 GLU 13 HB2 GLU 13 12.875 14.611 3.312 81 HB3 GLU 13 HB3 GLU 13 14.100 14.263 2.100 82 HG2 GLU 13 HG2 GLU 13 12.333 13.827 0.457 83 HG3 GLU 13 HG3 GLU 13 11.117 14.217 1.675 84 H ASP 14 H ASP 14 11.875 13.607 4.739 85 HA ASP 14 HA ASP 14 9.902 13.521 5.821 86 HB2 ASP 14 HB2 ASP 14 8.977 13.968 3.540 87 HB3 ASP 14 HB3 ASP 14 8.776 12.226 3.338 88 H CYS 15 H CYS 15 9.521 10.608 3.863 89 HA CYS 15 HA CYS 15 8.907 9.135 6.293 90 HB2 CYS 15 HB2 CYS 15 8.766 8.239 3.412 91 HB3 CYS 15 HB3 CYS 15 8.150 7.378 4.826 92 HG CYS 15 HG CYS 15 6.955 10.499 4.317 93 H ARG 16 H ARG 16 9.746 6.962 6.532 94 HA ARG 16 HA ARG 16 12.586 6.832 5.873 95 HB2 ARG 16 HB2 ARG 16 10.954 5.227 7.854 96 HB3 ARG 16 HB3 ARG 16 12.693 5.106 7.626 97 HG2 ARG 16 HG2 ARG 16 12.312 6.409 9.555 98 HG3 ARG 16 HG3 ARG 16 12.872 7.495 8.292 99 HD2 ARG 16 HD2 ARG 16 10.390 7.953 7.834 100 HD3 ARG 16 HD3 ARG 16 10.086 7.138 9.371 101 HE ARG 16 HE ARG 16 11.965 9.365 9.418 102 HH11 ARG 16 HH11 ARG 16 8.774 8.126 10.131 103 HH12 ARG 16 HH12 ARG 16 8.315 9.497 11.089 104 HH21 ARG 16 HH21 ARG 16 11.374 11.168 10.686 105 HH22 ARG 16 HH22 ARG 16 9.792 11.238 11.398 106 H GLY 17 H GLY 17 11.779 6.355 3.650 107 HA2 GLY 17 HA2 GLY 17 10.517 3.742 3.342 108 HA3 GLY 17 HA3 GLY 17 10.695 4.960 2.084 109 H ASP 18 H ASP 18 13.176 3.668 4.247 110 HA ASP 18 HA ASP 18 14.553 2.522 1.924 111 HB2 ASP 18 HB2 ASP 18 16.611 3.693 2.429 112 HB3 ASP 18 HB3 ASP 18 15.320 4.870 2.209 113 H ILE 19 H ILE 19 13.867 2.481 5.283 114 HA ILE 19 HA ILE 19 16.176 0.940 5.988 115 HB ILE 19 HB ILE 19 14.511 0.890 8.174 116 HG12 ILE 19 HG12 ILE 19 14.276 3.538 8.233 117 HG13 ILE 19 HG13 ILE 19 14.053 3.304 6.521 118 HG21 ILE 19 HG21 ILE 19 16.922 1.205 8.175 119 HG22 ILE 19 HG22 ILE 19 16.120 2.466 9.110 120 HG23 ILE 19 HG23 ILE 19 16.718 2.818 7.489 121 HD11 ILE 19 HD11 ILE 19 12.178 1.850 6.904 122 HD12 ILE 19 HD12 ILE 19 11.933 3.376 7.744 123 HD13 ILE 19 HD13 ILE 19 12.423 1.943 8.648 124 H GLY 20 H GLY 20 13.081 0.229 7.359 125 HA2 GLY 20 HA2 GLY 20 13.090 -2.429 6.080 126 HA3 GLY 20 HA3 GLY 20 12.750 -2.218 7.797 127 H ARG 21 H ARG 21 11.777 -0.229 5.110 128 HA ARG 21 HA ARG 21 9.140 0.081 5.968 129 HB2 ARG 21 HB2 ARG 21 8.938 0.717 3.351 130 HB3 ARG 21 HB3 ARG 21 9.537 1.800 4.596 131 HG2 ARG 21 HG2 ARG 21 10.997 1.869 2.702 132 HG3 ARG 21 HG3 ARG 21 11.831 1.115 4.053 133 HD2 ARG 21 HD2 ARG 21 11.474 -1.077 3.091 134 HD3 ARG 21 HD3 ARG 21 10.517 -0.375 1.787 135 HE ARG 21 HE ARG 21 13.079 0.806 1.827 136 HH11 ARG 21 HH11 ARG 21 11.483 -2.192 0.990 137 HH12 ARG 21 HH12 ARG 21 12.673 -2.651 -0.184 138 HH21 ARG 21 HH21 ARG 21 14.650 0.212 0.266 139 HH22 ARG 21 HH22 ARG 21 14.465 -1.275 -0.610 140 H THR 22 H THR 22 8.260 -1.938 6.351 141 HA THR 22 HA THR 22 7.634 -3.595 4.024 142 HB THR 22 HB THR 22 6.719 -5.173 5.715 143 HG1 THR 22 HG1 THR 22 6.080 -3.883 7.389 144 HG21 THR 22 HG21 THR 22 9.078 -5.337 5.079 145 HG22 THR 22 HG22 THR 22 8.852 -5.761 6.776 146 HG23 THR 22 HG23 THR 22 9.503 -4.179 6.341 147 H ASN 23 H ASN 23 6.372 -1.181 6.024 148 HA ASN 23 HA ASN 23 3.569 -1.723 5.795 149 HB2 ASN 23 HB2 ASN 23 4.746 -0.301 7.569 150 HB3 ASN 23 HB3 ASN 23 4.901 0.938 6.320 151 HD21 ASN 23 HD21 ASN 23 3.659 2.354 7.540 152 HD22 ASN 23 HD22 ASN 23 1.941 2.194 7.667 153 H LEU 24 H LEU 24 2.323 -1.316 4.058 154 HA LEU 24 HA LEU 24 3.425 0.479 2.004 155 HB2 LEU 24 HB2 LEU 24 2.652 -2.245 1.847 156 HB3 LEU 24 HB3 LEU 24 1.501 -1.315 0.909 157 HG LEU 24 HG LEU 24 3.238 -0.446 -0.500 158 HD11 LEU 24 HD11 LEU 24 5.016 -0.112 1.077 159 HD12 LEU 24 HD12 LEU 24 5.589 -1.182 -0.202 160 HD13 LEU 24 HD13 LEU 24 5.138 -1.847 1.370 161 HD21 LEU 24 HD21 LEU 24 2.360 -2.669 -1.001 162 HD22 LEU 24 HD22 LEU 24 3.658 -3.385 -0.043 163 HD23 LEU 24 HD23 LEU 24 4.037 -2.485 -1.512 164 H ILE 25 H ILE 25 2.387 2.287 1.902 165 HA ILE 25 HA ILE 25 -0.407 2.521 2.574 166 HB ILE 25 HB ILE 25 1.174 4.377 3.043 167 HG12 ILE 25 HG12 ILE 25 -1.136 4.922 1.186 168 HG13 ILE 25 HG13 ILE 25 -1.157 4.827 2.946 169 HG21 ILE 25 HG21 ILE 25 1.975 5.817 1.268 170 HG22 ILE 25 HG22 ILE 25 1.255 4.755 0.059 171 HG23 ILE 25 HG23 ILE 25 2.589 4.174 1.060 172 HD11 ILE 25 HD11 ILE 25 0.254 6.936 1.338 173 HD12 ILE 25 HD12 ILE 25 0.158 6.847 3.096 174 HD13 ILE 25 HD13 ILE 25 -1.303 7.122 2.144 175 H VAL 26 H VAL 26 -1.976 2.073 1.195 176 HA VAL 26 HA VAL 26 -1.309 2.060 -1.678 177 HB VAL 26 HB VAL 26 -3.499 0.442 -0.384 178 HG11 VAL 26 HG11 VAL 26 -2.116 0.254 -3.063 179 HG12 VAL 26 HG12 VAL 26 -3.736 0.886 -2.781 180 HG13 VAL 26 HG13 VAL 26 -3.391 -0.817 -2.483 181 HG21 VAL 26 HG21 VAL 26 -0.689 -0.393 -1.074 182 HG22 VAL 26 HG22 VAL 26 -1.979 -1.467 -0.531 183 HG23 VAL 26 HG23 VAL 26 -1.350 -0.224 0.552 184 H ASN 27 H ASN 27 -2.069 3.839 -2.509 185 HA ASN 27 HA ASN 27 -4.487 5.060 -1.424 186 HB2 ASN 27 HB2 ASN 27 -2.128 6.157 -2.238 187 HB3 ASN 27 HB3 ASN 27 -3.111 6.373 -3.673 188 HD21 ASN 27 HD21 ASN 27 -2.555 7.309 -0.430 189 HD22 ASN 27 HD22 ASN 27 -3.724 8.580 -0.347 190 H TYR 28 H TYR 28 -5.843 6.150 -3.174 191 HA TYR 28 HA TYR 28 -7.295 6.004 -4.905 192 HB2 TYR 28 HB2 TYR 28 -5.059 4.450 -6.216 193 HB3 TYR 28 HB3 TYR 28 -6.435 5.165 -7.049 194 HD1 TYR 28 HD1 TYR 28 -6.607 7.650 -7.214 195 HD2 TYR 28 HD2 TYR 28 -3.206 5.754 -5.521 196 HE1 TYR 28 HE1 TYR 28 -5.341 9.751 -7.415 197 HE2 TYR 28 HE2 TYR 28 -1.920 7.842 -5.704 198 HH TYR 28 HH TYR 28 -3.385 10.831 -6.345 199 H LEU 29 H LEU 29 -7.196 3.878 -2.840 200 HA LEU 29 HA LEU 29 -7.998 1.414 -3.989 201 HB2 LEU 29 HB2 LEU 29 -8.717 2.643 -1.320 202 HB3 LEU 29 HB3 LEU 29 -9.052 0.985 -1.777 203 HG LEU 29 HG LEU 29 -6.377 2.258 -1.263 204 HD11 LEU 29 HD11 LEU 29 -7.739 -0.154 -0.076 205 HD12 LEU 29 HD12 LEU 29 -7.650 1.444 0.670 206 HD13 LEU 29 HD13 LEU 29 -6.176 0.513 0.400 207 HD21 LEU 29 HD21 LEU 29 -6.084 0.945 -3.243 208 HD22 LEU 29 HD22 LEU 29 -6.984 -0.397 -2.541 209 HD23 LEU 29 HD23 LEU 29 -5.415 0.052 -1.877 210 HA PRO 30 HA PRO 30 -12.003 2.379 -5.591 211 HB2 PRO 30 HB2 PRO 30 -12.880 -0.208 -4.451 212 HB3 PRO 30 HB3 PRO 30 -12.947 0.363 -6.114 213 HG2 PRO 30 HG2 PRO 30 -11.174 -1.493 -5.315 214 HG3 PRO 30 HG3 PRO 30 -10.800 -0.311 -6.578 215 HD2 PRO 30 HD2 PRO 30 -9.891 -0.424 -3.755 216 HD3 PRO 30 HD3 PRO 30 -9.055 0.206 -5.189 217 H GLN 31 H GLN 31 -13.744 3.395 -4.748 218 HA GLN 31 HA GLN 31 -13.691 4.120 -2.051 219 HB2 GLN 31 HB2 GLN 31 -15.834 4.488 -4.137 220 HB3 GLN 31 HB3 GLN 31 -15.857 5.256 -2.557 221 HG2 GLN 31 HG2 GLN 31 -13.720 5.616 -4.643 222 HG3 GLN 31 HG3 GLN 31 -15.026 6.752 -4.306 223 HE21 GLN 31 HE21 GLN 31 -11.985 5.481 -3.259 224 HE22 GLN 31 HE22 GLN 31 -11.714 6.616 -1.986 225 H ASN 32 H ASN 32 -15.215 1.427 -3.555 226 HA ASN 32 HA ASN 32 -16.990 1.064 -1.239 227 HB2 ASN 32 HB2 ASN 32 -18.348 -0.366 -2.630 228 HB3 ASN 32 HB3 ASN 32 -18.074 1.149 -3.478 229 HD21 ASN 32 HD21 ASN 32 -18.797 -1.486 -4.499 230 HD22 ASN 32 HD22 ASN 32 -17.570 -1.920 -5.637 231 H MET 33 H MET 33 -13.992 0.177 -2.021 232 HA MET 33 HA MET 33 -14.198 -2.683 -1.881 233 HB2 MET 33 HB2 MET 33 -12.440 -1.406 -3.130 234 HB3 MET 33 HB3 MET 33 -11.718 -1.014 -1.575 235 HG2 MET 33 HG2 MET 33 -11.284 -3.272 -1.114 236 HG3 MET 33 HG3 MET 33 -12.245 -3.810 -2.470 237 HE1 MET 33 HE1 MET 33 -8.083 -2.002 -2.517 238 HE2 MET 33 HE2 MET 33 -8.921 -2.746 -1.149 239 HE3 MET 33 HE3 MET 33 -9.486 -1.201 -1.796 240 H THR 34 H THR 34 -12.806 -3.920 -0.293 241 HA THR 34 HA THR 34 -13.369 -2.949 2.430 242 HB THR 34 HB THR 34 -13.785 -5.214 3.098 243 HG1 THR 34 HG1 THR 34 -13.565 -6.913 1.462 244 HG21 THR 34 HG21 THR 34 -15.051 -4.902 0.378 245 HG22 THR 34 HG22 THR 34 -15.605 -4.053 1.826 246 HG23 THR 34 HG23 THR 34 -15.682 -5.815 1.752 247 H GLN 35 H GLN 35 -11.919 -3.926 4.134 248 HA GLN 35 HA GLN 35 -9.188 -3.772 3.691 249 HB2 GLN 35 HB2 GLN 35 -10.607 -5.571 5.662 250 HB3 GLN 35 HB3 GLN 35 -8.887 -5.221 5.675 251 HG2 GLN 35 HG2 GLN 35 -9.839 -3.884 7.334 252 HG3 GLN 35 HG3 GLN 35 -9.492 -2.818 5.984 253 HE21 GLN 35 HE21 GLN 35 -12.226 -4.997 5.938 254 HE22 GLN 35 HE22 GLN 35 -13.442 -3.768 6.089 255 H ASP 36 H ASP 36 -11.329 -6.560 3.582 256 HA ASP 36 HA ASP 36 -9.343 -8.527 3.337 257 HB2 ASP 36 HB2 ASP 36 -11.725 -8.917 3.959 258 HB3 ASP 36 HB3 ASP 36 -12.180 -8.628 2.283 259 H GLU 37 H GLU 37 -10.910 -6.524 0.905 260 HA GLU 37 HA GLU 37 -9.832 -7.981 -1.321 261 HB2 GLU 37 HB2 GLU 37 -10.902 -5.154 -1.169 262 HB3 GLU 37 HB3 GLU 37 -10.591 -6.055 -2.646 263 HG2 GLU 37 HG2 GLU 37 -12.492 -7.078 -0.573 264 HG3 GLU 37 HG3 GLU 37 -13.009 -5.927 -1.806 265 H LEU 38 H LEU 38 -9.051 -4.952 0.328 266 HA LEU 38 HA LEU 38 -6.726 -4.279 -1.085 267 HB2 LEU 38 HB2 LEU 38 -7.989 -2.785 0.446 268 HB3 LEU 38 HB3 LEU 38 -7.491 -3.750 1.806 269 HG LEU 38 HG LEU 38 -6.307 -1.472 1.222 270 HD11 LEU 38 HD11 LEU 38 -5.805 -3.032 3.085 271 HD12 LEU 38 HD12 LEU 38 -4.407 -2.167 2.443 272 HD13 LEU 38 HD13 LEU 38 -4.672 -3.857 2.008 273 HD21 LEU 38 HD21 LEU 38 -5.707 -2.076 -1.049 274 HD22 LEU 38 HD22 LEU 38 -4.787 -3.456 -0.449 275 HD23 LEU 38 HD23 LEU 38 -4.262 -1.814 -0.070 276 H ARG 39 H ARG 39 -7.364 -6.504 1.484 277 HA ARG 39 HA ARG 39 -4.622 -6.994 2.165 278 HB2 ARG 39 HB2 ARG 39 -6.691 -7.120 3.674 279 HB3 ARG 39 HB3 ARG 39 -7.017 -8.661 2.918 280 HG2 ARG 39 HG2 ARG 39 -4.442 -8.062 4.325 281 HG3 ARG 39 HG3 ARG 39 -5.850 -8.715 5.146 282 HD2 ARG 39 HD2 ARG 39 -5.847 -10.578 3.484 283 HD3 ARG 39 HD3 ARG 39 -4.294 -9.965 2.905 284 HE ARG 39 HE ARG 39 -3.890 -10.268 5.568 285 HH11 ARG 39 HH11 ARG 39 -5.066 -12.408 3.056 286 HH12 ARG 39 HH12 ARG 39 -4.456 -13.840 3.816 287 HH21 ARG 39 HH21 ARG 39 -3.084 -12.160 6.569 288 HH22 ARG 39 HH22 ARG 39 -3.340 -13.703 5.820 289 H SER 40 H SER 40 -7.158 -8.782 0.365 290 HA SER 40 HA SER 40 -5.541 -11.100 0.025 291 HB2 SER 40 HB2 SER 40 -7.306 -11.719 -1.698 292 HB3 SER 40 HB3 SER 40 -7.890 -11.426 -0.060 293 HG SER 40 HG SER 40 -8.804 -9.581 -0.681 294 H LEU 41 H LEU 41 -6.166 -8.275 -1.977 295 HA LEU 41 HA LEU 41 -4.868 -9.150 -4.308 296 HB2 LEU 41 HB2 LEU 41 -6.414 -7.178 -3.974 297 HB3 LEU 41 HB3 LEU 41 -5.054 -6.343 -3.263 298 HG LEU 41 HG LEU 41 -5.772 -6.103 -5.822 299 HD11 LEU 41 HD11 LEU 41 -2.950 -6.020 -4.795 300 HD12 LEU 41 HD12 LEU 41 -4.147 -4.737 -4.642 301 HD13 LEU 41 HD13 LEU 41 -3.550 -5.200 -6.236 302 HD21 LEU 41 HD21 LEU 41 -5.310 -8.439 -6.372 303 HD22 LEU 41 HD22 LEU 41 -3.640 -8.242 -5.830 304 HD23 LEU 41 HD23 LEU 41 -4.224 -7.355 -7.241 305 H PHE 42 H PHE 42 -3.654 -7.572 -1.406 306 HA PHE 42 HA PHE 42 -0.982 -7.553 -2.457 307 HB2 PHE 42 HB2 PHE 42 -2.191 -6.756 0.171 308 HB3 PHE 42 HB3 PHE 42 -0.439 -6.845 -0.041 309 HD1 PHE 42 HD1 PHE 42 -3.476 -5.405 -1.662 310 HD2 PHE 42 HD2 PHE 42 0.695 -4.995 -0.858 311 HE1 PHE 42 HE1 PHE 42 -3.469 -3.226 -2.785 312 HE2 PHE 42 HE2 PHE 42 0.680 -2.790 -1.979 313 HZ PHE 42 HZ PHE 42 -1.390 -1.936 -2.940 314 H SER 43 H SER 43 -2.949 -9.661 -0.538 315 HA SER 43 HA SER 43 -0.838 -11.355 0.325 316 HB2 SER 43 HB2 SER 43 -3.249 -11.308 1.201 317 HB3 SER 43 HB3 SER 43 -3.672 -12.249 -0.228 318 HG SER 43 HG SER 43 -1.683 -13.006 1.657 319 H SER 44 H SER 44 -2.215 -10.701 -2.707 320 HA SER 44 HA SER 44 -1.684 -13.193 -3.965 321 HB2 SER 44 HB2 SER 44 -2.336 -12.168 -5.940 322 HB3 SER 44 HB3 SER 44 -3.117 -11.099 -4.774 323 HG SER 44 HG SER 44 -1.727 -9.550 -5.218 324 H ILE 45 H ILE 45 0.110 -10.205 -3.496 325 HA ILE 45 HA ILE 45 2.478 -10.928 -4.840 326 HB ILE 45 HB ILE 45 1.931 -9.041 -2.559 327 HG12 ILE 45 HG12 ILE 45 1.233 -8.616 -4.995 328 HG13 ILE 45 HG13 ILE 45 2.130 -7.343 -4.171 329 HG21 ILE 45 HG21 ILE 45 4.178 -9.741 -2.137 330 HG22 ILE 45 HG22 ILE 45 4.257 -8.152 -2.913 331 HG23 ILE 45 HG23 ILE 45 4.598 -9.613 -3.844 332 HD11 ILE 45 HD11 ILE 45 2.805 -7.857 -6.524 333 HD12 ILE 45 HD12 ILE 45 3.451 -9.382 -5.916 334 HD13 ILE 45 HD13 ILE 45 4.095 -7.847 -5.322 335 H GLY 46 H GLY 46 1.442 -11.443 -1.489 336 HA2 GLY 46 HA2 GLY 46 2.929 -13.769 -1.093 337 HA3 GLY 46 HA3 GLY 46 3.928 -12.423 -0.562 338 H GLU 47 H GLU 47 3.898 -12.508 1.603 339 HA GLU 47 HA GLU 47 1.335 -13.028 2.904 340 HB2 GLU 47 HB2 GLU 47 4.166 -13.354 3.772 341 HB3 GLU 47 HB3 GLU 47 2.917 -13.126 4.991 342 HG2 GLU 47 HG2 GLU 47 1.740 -15.056 4.236 343 HG3 GLU 47 HG3 GLU 47 2.817 -15.228 2.858 344 H VAL 48 H VAL 48 0.221 -11.568 3.679 345 HA VAL 48 HA VAL 48 1.340 -8.905 4.183 346 HB VAL 48 HB VAL 48 -1.519 -9.837 3.871 347 HG11 VAL 48 HG11 VAL 48 -0.404 -7.129 4.525 348 HG12 VAL 48 HG12 VAL 48 -1.618 -8.057 5.409 349 HG13 VAL 48 HG13 VAL 48 -2.011 -7.362 3.837 350 HG21 VAL 48 HG21 VAL 48 -0.214 -9.795 1.806 351 HG22 VAL 48 HG22 VAL 48 0.188 -8.101 2.105 352 HG23 VAL 48 HG23 VAL 48 -1.485 -8.569 1.805 353 H GLU 49 H GLU 49 1.866 -8.401 6.049 354 HA GLU 49 HA GLU 49 1.400 -9.905 8.328 355 HB2 GLU 49 HB2 GLU 49 3.297 -8.419 7.899 356 HB3 GLU 49 HB3 GLU 49 2.227 -7.044 8.136 357 HG2 GLU 49 HG2 GLU 49 2.461 -9.164 10.215 358 HG3 GLU 49 HG3 GLU 49 3.687 -7.935 10.061 359 H SER 50 H SER 50 0.094 -6.783 7.254 360 HA SER 50 HA SER 50 -2.497 -7.402 8.330 361 HB2 SER 50 HB2 SER 50 -2.577 -5.424 9.859 362 HB3 SER 50 HB3 SER 50 -1.465 -6.680 10.401 363 HG SER 50 HG SER 50 0.224 -5.422 9.972 364 H ALA 51 H ALA 51 -3.995 -6.442 7.054 365 HA ALA 51 HA ALA 51 -3.114 -4.082 5.543 366 HB1 ALA 51 HB1 ALA 51 -4.481 -4.732 3.699 367 HB2 ALA 51 HB2 ALA 51 -5.135 -6.103 4.602 368 HB3 ALA 51 HB3 ALA 51 -3.435 -6.083 4.131 369 H LYS 52 H LYS 52 -4.115 -2.298 5.914 370 HA LYS 52 HA LYS 52 -6.671 -2.366 7.357 371 HB2 LYS 52 HB2 LYS 52 -4.717 -1.441 8.546 372 HB3 LYS 52 HB3 LYS 52 -4.494 -0.273 7.254 373 HG2 LYS 52 HG2 LYS 52 -6.907 0.453 7.839 374 HG3 LYS 52 HG3 LYS 52 -6.583 -0.380 9.366 375 HD2 LYS 52 HD2 LYS 52 -4.820 1.728 8.158 376 HD3 LYS 52 HD3 LYS 52 -6.016 2.039 9.419 377 HE2 LYS 52 HE2 LYS 52 -3.653 0.183 9.627 378 HE3 LYS 52 HE3 LYS 52 -3.754 1.793 10.332 379 HZ1 LYS 52 HZ1 LYS 52 -5.613 1.014 11.689 380 HZ2 LYS 52 HZ2 LYS 52 -4.216 0.113 11.978 381 HZ3 LYS 52 HZ3 LYS 52 -5.457 -0.537 11.037 382 H LEU 53 H LEU 53 -8.390 -1.500 6.369 383 HA LEU 53 HA LEU 53 -7.988 0.102 3.942 384 HB2 LEU 53 HB2 LEU 53 -9.378 -1.829 3.578 385 HB3 LEU 53 HB3 LEU 53 -10.359 -1.452 4.980 386 HG LEU 53 HG LEU 53 -10.702 0.797 3.498 387 HD11 LEU 53 HD11 LEU 53 -10.464 -1.512 1.562 388 HD12 LEU 53 HD12 LEU 53 -9.480 -0.038 1.593 389 HD13 LEU 53 HD13 LEU 53 -11.201 0.055 1.206 390 HD21 LEU 53 HD21 LEU 53 -12.459 -0.430 4.578 391 HD22 LEU 53 HD22 LEU 53 -12.273 -1.772 3.451 392 HD23 LEU 53 HD23 LEU 53 -12.878 -0.219 2.879 393 H ILE 54 H ILE 54 -8.569 2.208 3.946 394 HA ILE 54 HA ILE 54 -9.467 3.255 6.528 395 HB ILE 54 HB ILE 54 -8.412 4.762 4.150 396 HG12 ILE 54 HG12 ILE 54 -6.639 3.402 4.984 397 HG13 ILE 54 HG13 ILE 54 -6.352 5.027 5.578 398 HG21 ILE 54 HG21 ILE 54 -8.140 6.619 5.744 399 HG22 ILE 54 HG22 ILE 54 -8.912 5.640 6.992 400 HG23 ILE 54 HG23 ILE 54 -9.825 6.131 5.565 401 HD11 ILE 54 HD11 ILE 54 -7.282 4.363 7.749 402 HD12 ILE 54 HD12 ILE 54 -5.879 3.398 7.286 403 HD13 ILE 54 HD13 ILE 54 -7.500 2.725 7.133 404 H ARG 55 H ARG 55 -11.480 3.834 6.819 405 HA ARG 55 HA ARG 55 -12.915 5.098 4.611 406 HB2 ARG 55 HB2 ARG 55 -14.437 3.290 6.436 407 HB3 ARG 55 HB3 ARG 55 -14.871 3.896 4.841 408 HG2 ARG 55 HG2 ARG 55 -13.053 2.406 3.919 409 HG3 ARG 55 HG3 ARG 55 -12.927 1.700 5.526 410 HD2 ARG 55 HD2 ARG 55 -14.477 0.274 4.798 411 HD3 ARG 55 HD3 ARG 55 -15.600 1.601 5.105 412 HE ARG 55 HE ARG 55 -14.430 1.477 2.453 413 HH11 ARG 55 HH11 ARG 55 -17.158 0.775 4.529 414 HH12 ARG 55 HH12 ARG 55 -18.259 0.512 3.218 415 HH21 ARG 55 HH21 ARG 55 -15.877 1.148 0.718 416 HH22 ARG 55 HH22 ARG 55 -17.535 0.737 1.040 417 H ASP 56 H ASP 56 -14.928 6.209 5.486 418 HA ASP 56 HA ASP 56 -14.323 7.683 7.844 419 HB2 ASP 56 HB2 ASP 56 -15.754 8.634 6.101 420 HB3 ASP 56 HB3 ASP 56 -16.932 7.355 6.350 421 H LYS 57 H LYS 57 -16.240 7.657 9.692 422 HA LYS 57 HA LYS 57 -16.106 5.090 10.833 423 HB2 LYS 57 HB2 LYS 57 -16.995 6.051 12.699 424 HB3 LYS 57 HB3 LYS 57 -16.345 7.465 11.917 425 HG2 LYS 57 HG2 LYS 57 -19.205 6.606 11.774 426 HG3 LYS 57 HG3 LYS 57 -18.578 7.791 12.899 427 HD2 LYS 57 HD2 LYS 57 -18.264 8.080 9.921 428 HD3 LYS 57 HD3 LYS 57 -19.702 8.653 10.778 429 HE2 LYS 57 HE2 LYS 57 -18.326 10.103 12.164 430 HE3 LYS 57 HE3 LYS 57 -16.866 9.483 11.396 431 HZ1 LYS 57 HZ1 LYS 57 -19.029 10.942 9.984 432 HZ2 LYS 57 HZ2 LYS 57 -17.567 10.411 9.310 433 HZ3 LYS 57 HZ3 LYS 57 -17.568 11.627 10.490 434 H VAL 58 H VAL 58 -18.375 6.699 8.769 435 HA VAL 58 HA VAL 58 -20.047 4.315 8.646 436 HB VAL 58 HB VAL 58 -21.082 7.064 9.342 437 HG11 VAL 58 HG11 VAL 58 -23.314 6.085 9.304 438 HG12 VAL 58 HG12 VAL 58 -22.643 4.560 8.727 439 HG13 VAL 58 HG13 VAL 58 -22.552 6.004 7.716 440 HG21 VAL 58 HG21 VAL 58 -21.707 4.620 10.900 441 HG22 VAL 58 HG22 VAL 58 -21.528 6.296 11.435 442 HG23 VAL 58 HG23 VAL 58 -20.100 5.331 11.050 443 H ALA 59 H ALA 59 -20.085 7.705 7.578 444 HA ALA 59 HA ALA 59 -21.588 7.059 5.256 445 HB1 ALA 59 HB1 ALA 59 -21.893 9.120 6.548 446 HB2 ALA 59 HB2 ALA 59 -21.585 9.426 4.838 447 HB3 ALA 59 HB3 ALA 59 -20.289 9.638 6.020 448 H GLY 60 H GLY 60 -18.444 8.282 5.838 449 HA2 GLY 60 HA2 GLY 60 -17.739 9.113 3.295 450 HA3 GLY 60 HA3 GLY 60 -16.608 8.683 4.558 451 H HIS 61 H HIS 61 -18.026 5.878 4.288 452 HA HIS 61 HA HIS 61 -17.022 3.901 3.686 453 HB2 HIS 61 HB2 HIS 61 -17.131 3.420 1.292 454 HB3 HIS 61 HB3 HIS 61 -18.595 4.176 1.874 455 HD1 HIS 61 HD1 HIS 61 -19.506 5.534 0.027 456 HD2 HIS 61 HD2 HIS 61 -15.366 5.821 0.256 457 HE1 HIS 61 HE1 HIS 61 -18.839 7.110 -1.808 458 HE2 HIS 61 HE2 HIS 61 -16.343 7.361 -1.583 459 H SER 62 H SER 62 -15.367 3.257 1.481 460 HA SER 62 HA SER 62 -12.886 3.602 2.642 461 HB2 SER 62 HB2 SER 62 -13.307 3.192 -0.322 462 HB3 SER 62 HB3 SER 62 -11.943 2.655 0.658 463 HG SER 62 HG SER 62 -13.123 0.869 0.604 464 H LEU 63 H LEU 63 -11.576 5.304 2.800 465 HA LEU 63 HA LEU 63 -12.402 7.739 1.468 466 HB2 LEU 63 HB2 LEU 63 -10.272 7.273 3.550 467 HB3 LEU 63 HB3 LEU 63 -10.781 8.843 2.960 468 HG LEU 63 HG LEU 63 -12.320 6.915 4.691 469 HD11 LEU 63 HD11 LEU 63 -10.805 8.487 5.771 470 HD12 LEU 63 HD12 LEU 63 -12.493 8.822 6.158 471 HD13 LEU 63 HD13 LEU 63 -11.642 9.827 4.987 472 HD21 LEU 63 HD21 LEU 63 -13.881 7.590 2.957 473 HD22 LEU 63 HD22 LEU 63 -13.421 9.288 3.185 474 HD23 LEU 63 HD23 LEU 63 -14.255 8.420 4.475 475 H GLY 64 H GLY 64 -10.841 5.407 0.224 476 HA2 GLY 64 HA2 GLY 64 -9.841 5.532 -1.866 477 HA3 GLY 64 HA3 GLY 64 -9.443 7.212 -1.552 478 H TYR 65 H TYR 65 -8.545 4.914 0.888 479 HA TYR 65 HA TYR 65 -6.057 4.176 -0.240 480 HB2 TYR 65 HB2 TYR 65 -4.517 5.493 1.066 481 HB3 TYR 65 HB3 TYR 65 -5.577 6.580 0.183 482 HD1 TYR 65 HD1 TYR 65 -7.648 7.458 1.551 483 HD2 TYR 65 HD2 TYR 65 -4.106 5.852 3.261 484 HE1 TYR 65 HE1 TYR 65 -8.116 8.664 3.638 485 HE2 TYR 65 HE2 TYR 65 -4.565 7.042 5.348 486 HH TYR 65 HH TYR 65 -5.799 8.969 6.142 487 H GLY 66 H GLY 66 -4.589 3.167 1.379 488 HA2 GLY 66 HA2 GLY 66 -5.696 2.349 3.901 489 HA3 GLY 66 HA3 GLY 66 -5.719 1.082 2.696 490 H PHE 67 H PHE 67 -4.297 0.304 4.655 491 HA PHE 67 HA PHE 67 -1.495 0.813 3.930 492 HB2 PHE 67 HB2 PHE 67 -2.567 0.817 6.767 493 HB3 PHE 67 HB3 PHE 67 -0.869 0.907 6.319 494 HD1 PHE 67 HD1 PHE 67 0.070 2.941 5.417 495 HD2 PHE 67 HD2 PHE 67 -4.029 2.714 6.518 496 HE1 PHE 67 HE1 PHE 67 -0.077 5.396 5.357 497 HE2 PHE 67 HE2 PHE 67 -4.188 5.167 6.458 498 HZ PHE 67 HZ PHE 67 -2.210 6.512 5.875 499 H VAL 68 H VAL 68 -0.936 -1.181 3.199 500 HA VAL 68 HA VAL 68 -1.546 -3.429 4.955 501 HB VAL 68 HB VAL 68 -2.355 -4.399 3.145 502 HG11 VAL 68 HG11 VAL 68 -2.559 -2.333 1.981 503 HG12 VAL 68 HG12 VAL 68 -2.065 -3.604 0.861 504 HG13 VAL 68 HG13 VAL 68 -0.881 -2.429 1.442 505 HG21 VAL 68 HG21 VAL 68 -0.794 -5.501 1.599 506 HG22 VAL 68 HG22 VAL 68 -0.298 -5.673 3.281 507 HG23 VAL 68 HG23 VAL 68 0.517 -4.508 2.234 508 H ASN 69 H ASN 69 -0.019 -3.903 6.234 509 HA ASN 69 HA ASN 69 2.762 -3.396 5.657 510 HB2 ASN 69 HB2 ASN 69 1.663 -3.133 7.939 511 HB3 ASN 69 HB3 ASN 69 1.599 -4.884 7.998 512 HD21 ASN 69 HD21 ASN 69 2.979 -5.181 9.654 513 HD22 ASN 69 HD22 ASN 69 4.669 -4.788 9.586 514 H TYR 70 H TYR 70 4.078 -4.851 4.729 515 HA TYR 70 HA TYR 70 3.171 -7.613 4.529 516 HB2 TYR 70 HB2 TYR 70 5.322 -5.986 3.213 517 HB3 TYR 70 HB3 TYR 70 5.444 -7.735 3.227 518 HD1 TYR 70 HD1 TYR 70 3.457 -9.053 2.281 519 HD2 TYR 70 HD2 TYR 70 4.111 -4.919 1.528 520 HE1 TYR 70 HE1 TYR 70 2.059 -9.203 0.269 521 HE2 TYR 70 HE2 TYR 70 2.706 -5.060 -0.474 522 HH TYR 70 HH TYR 70 2.009 -6.862 -2.094 523 H VAL 71 H VAL 71 4.757 -9.328 4.919 524 HA VAL 71 HA VAL 71 6.084 -8.962 7.455 525 HB VAL 71 HB VAL 71 6.597 -11.348 7.317 526 HG11 VAL 71 HG11 VAL 71 4.290 -12.194 7.264 527 HG12 VAL 71 HG12 VAL 71 3.767 -10.694 6.493 528 HG13 VAL 71 HG13 VAL 71 4.405 -10.664 8.140 529 HG21 VAL 71 HG21 VAL 71 5.847 -12.691 5.407 530 HG22 VAL 71 HG22 VAL 71 7.064 -11.506 4.927 531 HG23 VAL 71 HG23 VAL 71 5.361 -11.220 4.565 532 H THR 72 H THR 72 6.817 -8.432 4.290 533 HA THR 72 HA THR 72 9.721 -8.497 4.745 534 HB THR 72 HB THR 72 9.730 -8.945 2.161 535 HG1 THR 72 HG1 THR 72 7.929 -10.506 1.748 536 HG21 THR 72 HG21 THR 72 9.168 -11.204 4.081 537 HG22 THR 72 HG22 THR 72 10.739 -10.431 3.841 538 HG23 THR 72 HG23 THR 72 9.983 -11.322 2.515 539 H ALA 73 H ALA 73 10.839 -6.784 3.800 540 HA ALA 73 HA ALA 73 9.291 -4.640 2.607 541 HB1 ALA 73 HB1 ALA 73 11.448 -3.468 2.438 542 HB2 ALA 73 HB2 ALA 73 12.275 -4.915 3.015 543 HB3 ALA 73 HB3 ALA 73 11.154 -4.056 4.074 544 H LYS 74 H LYS 74 10.999 -7.413 1.750 545 HA LYS 74 HA LYS 74 11.676 -6.937 -0.934 546 HB2 LYS 74 HB2 LYS 74 12.624 -8.794 0.165 547 HB3 LYS 74 HB3 LYS 74 11.056 -9.389 0.683 548 HG2 LYS 74 HG2 LYS 74 11.179 -9.252 -2.179 549 HG3 LYS 74 HG3 LYS 74 12.526 -10.195 -1.533 550 HD2 LYS 74 HD2 LYS 74 11.124 -11.727 -0.498 551 HD3 LYS 74 HD3 LYS 74 9.743 -10.628 -0.520 552 HE2 LYS 74 HE2 LYS 74 9.687 -10.810 -2.977 553 HE3 LYS 74 HE3 LYS 74 11.000 -11.986 -2.899 554 HZ1 LYS 74 HZ1 LYS 74 8.263 -12.283 -1.781 555 HZ2 LYS 74 HZ2 LYS 74 9.526 -13.375 -1.487 556 HZ3 LYS 74 HZ3 LYS 74 8.945 -13.163 -3.061 557 H ASP 75 H ASP 75 8.784 -8.522 0.442 558 HA ASP 75 HA ASP 75 7.464 -8.573 -2.109 559 HB2 ASP 75 HB2 ASP 75 6.484 -9.155 0.691 560 HB3 ASP 75 HB3 ASP 75 5.465 -9.293 -0.737 561 H ALA 76 H ALA 76 7.816 -6.263 0.384 562 HA ALA 76 HA ALA 76 5.531 -4.673 -0.140 563 HB1 ALA 76 HB1 ALA 76 6.812 -2.848 0.910 564 HB2 ALA 76 HB2 ALA 76 8.263 -3.849 0.864 565 HB3 ALA 76 HB3 ALA 76 6.887 -4.333 1.857 566 H GLU 77 H GLU 77 8.897 -4.355 -1.306 567 HA GLU 77 HA GLU 77 8.337 -2.463 -3.325 568 HB2 GLU 77 HB2 GLU 77 10.612 -2.806 -2.671 569 HB3 GLU 77 HB3 GLU 77 10.520 -4.528 -3.013 570 HG2 GLU 77 HG2 GLU 77 10.373 -4.101 -5.370 571 HG3 GLU 77 HG3 GLU 77 10.322 -2.364 -5.092 572 H ARG 78 H ARG 78 8.048 -5.943 -3.177 573 HA ARG 78 HA ARG 78 7.758 -6.451 -5.925 574 HB2 ARG 78 HB2 ARG 78 8.202 -8.138 -4.151 575 HB3 ARG 78 HB3 ARG 78 6.538 -7.952 -3.623 576 HG2 ARG 78 HG2 ARG 78 5.699 -8.895 -5.599 577 HG3 ARG 78 HG3 ARG 78 7.258 -8.765 -6.416 578 HD2 ARG 78 HD2 ARG 78 8.206 -10.384 -4.885 579 HD3 ARG 78 HD3 ARG 78 6.673 -10.496 -4.024 580 HE ARG 78 HE ARG 78 5.718 -11.516 -5.994 581 HH11 ARG 78 HH11 ARG 78 9.213 -11.250 -5.983 582 HH12 ARG 78 HH12 ARG 78 9.439 -12.586 -7.062 583 HH21 ARG 78 HH21 ARG 78 6.014 -13.261 -7.406 584 HH22 ARG 78 HH22 ARG 78 7.617 -13.726 -7.884 585 H ALA 79 H ALA 79 5.506 -5.548 -3.369 586 HA ALA 79 HA ALA 79 3.197 -5.727 -5.005 587 HB1 ALA 79 HB1 ALA 79 3.588 -4.131 -2.474 588 HB2 ALA 79 HB2 ALA 79 3.058 -5.807 -2.564 589 HB3 ALA 79 HB3 ALA 79 2.038 -4.524 -3.226 590 H ILE 80 H ILE 80 5.507 -3.171 -4.281 591 HA ILE 80 HA ILE 80 4.004 -1.110 -5.512 592 HB ILE 80 HB ILE 80 6.976 -1.195 -5.202 593 HG12 ILE 80 HG12 ILE 80 4.878 -0.138 -3.298 594 HG13 ILE 80 HG13 ILE 80 5.757 -1.646 -3.080 595 HG21 ILE 80 HG21 ILE 80 5.044 1.115 -5.379 596 HG22 ILE 80 HG22 ILE 80 6.078 0.543 -6.695 597 HG23 ILE 80 HG23 ILE 80 6.805 1.222 -5.230 598 HD11 ILE 80 HD11 ILE 80 6.675 0.131 -1.722 599 HD12 ILE 80 HD12 ILE 80 6.967 1.096 -3.169 600 HD13 ILE 80 HD13 ILE 80 7.835 -0.420 -2.926 601 H ASN 81 H ASN 81 6.371 -3.392 -6.798 602 HA ASN 81 HA ASN 81 6.338 -1.960 -9.306 603 HB2 ASN 81 HB2 ASN 81 7.862 -3.748 -10.107 604 HB3 ASN 81 HB3 ASN 81 8.443 -2.883 -8.686 605 HD21 ASN 81 HD21 ASN 81 9.613 -4.227 -7.574 606 HD22 ASN 81 HD22 ASN 81 9.165 -5.826 -7.101 607 H THR 82 H THR 82 4.838 -4.708 -7.881 608 HA THR 82 HA THR 82 3.782 -5.600 -10.417 609 HB THR 82 HB THR 82 3.657 -6.676 -7.630 610 HG1 THR 82 HG1 THR 82 5.559 -7.051 -8.817 611 HG21 THR 82 HG21 THR 82 2.171 -7.687 -10.052 612 HG22 THR 82 HG22 THR 82 1.503 -7.228 -8.478 613 HG23 THR 82 HG23 THR 82 2.496 -8.676 -8.626 614 H LEU 83 H LEU 83 2.391 -4.712 -7.246 615 HA LEU 83 HA LEU 83 -0.270 -4.774 -8.336 616 HB2 LEU 83 HB2 LEU 83 0.802 -4.250 -5.611 617 HB3 LEU 83 HB3 LEU 83 -0.903 -4.191 -5.967 618 HG LEU 83 HG LEU 83 0.925 -6.594 -6.113 619 HD11 LEU 83 HD11 LEU 83 -1.018 -7.371 -4.514 620 HD12 LEU 83 HD12 LEU 83 -1.178 -5.631 -4.250 621 HD13 LEU 83 HD13 LEU 83 0.353 -6.433 -3.914 622 HD21 LEU 83 HD21 LEU 83 -1.119 -7.879 -6.685 623 HD22 LEU 83 HD22 LEU 83 -0.586 -6.779 -7.962 624 HD23 LEU 83 HD23 LEU 83 -1.959 -6.347 -6.945 625 H ASN 84 H ASN 84 2.037 -2.274 -7.559 626 HA ASN 84 HA ASN 84 0.143 -0.201 -7.176 627 HB2 ASN 84 HB2 ASN 84 2.391 0.069 -6.384 628 HB3 ASN 84 HB3 ASN 84 3.048 -0.164 -7.998 629 HD21 ASN 84 HD21 ASN 84 4.168 1.777 -7.683 630 HD22 ASN 84 HD22 ASN 84 3.397 3.295 -7.904 631 H GLY 85 H GLY 85 -1.279 0.435 -8.575 632 HA2 GLY 85 HA2 GLY 85 -1.989 1.369 -10.638 633 HA3 GLY 85 HA3 GLY 85 -0.628 0.601 -11.433 634 H LEU 86 H LEU 86 -2.496 -1.170 -9.130 635 HA LEU 86 HA LEU 86 -3.292 -3.063 -11.172 636 HB2 LEU 86 HB2 LEU 86 -2.625 -3.241 -8.480 637 HB3 LEU 86 HB3 LEU 86 -4.358 -3.480 -8.486 638 HG LEU 86 HG LEU 86 -3.137 -5.600 -8.540 639 HD11 LEU 86 HD11 LEU 86 -4.630 -5.011 -11.088 640 HD12 LEU 86 HD12 LEU 86 -5.339 -5.515 -9.554 641 HD13 LEU 86 HD13 LEU 86 -4.287 -6.616 -10.445 642 HD21 LEU 86 HD21 LEU 86 -1.186 -4.654 -9.805 643 HD22 LEU 86 HD22 LEU 86 -2.158 -4.807 -11.270 644 HD23 LEU 86 HD23 LEU 86 -1.739 -6.241 -10.334 645 H ARG 87 H ARG 87 -5.361 -3.439 -11.850 646 HA ARG 87 HA ARG 87 -7.351 -1.451 -11.189 647 HB2 ARG 87 HB2 ARG 87 -7.323 -3.773 -13.110 648 HB3 ARG 87 HB3 ARG 87 -8.747 -2.775 -12.847 649 HG2 ARG 87 HG2 ARG 87 -6.088 -1.692 -13.729 650 HG3 ARG 87 HG3 ARG 87 -7.381 -2.152 -14.839 651 HD2 ARG 87 HD2 ARG 87 -8.865 -0.525 -13.747 652 HD3 ARG 87 HD3 ARG 87 -7.547 -0.057 -12.673 653 HE ARG 87 HE ARG 87 -6.502 0.320 -15.143 654 HH11 ARG 87 HH11 ARG 87 -9.452 1.405 -13.592 655 HH12 ARG 87 HH12 ARG 87 -9.515 2.900 -14.470 656 HH21 ARG 87 HH21 ARG 87 -6.593 2.286 -16.313 657 HH22 ARG 87 HH22 ARG 87 -7.895 3.391 -16.030 658 H LEU 88 H LEU 88 -7.737 -1.908 -9.021 659 HA LEU 88 HA LEU 88 -8.969 -4.436 -8.298 660 HB2 LEU 88 HB2 LEU 88 -7.923 -2.086 -6.892 661 HB3 LEU 88 HB3 LEU 88 -9.392 -2.742 -6.196 662 HG LEU 88 HG LEU 88 -6.901 -4.363 -6.717 663 HD11 LEU 88 HD11 LEU 88 -6.419 -4.191 -4.404 664 HD12 LEU 88 HD12 LEU 88 -7.937 -3.353 -4.084 665 HD13 LEU 88 HD13 LEU 88 -6.664 -2.546 -4.994 666 HD21 LEU 88 HD21 LEU 88 -8.024 -5.985 -5.245 667 HD22 LEU 88 HD22 LEU 88 -8.941 -5.677 -6.719 668 HD23 LEU 88 HD23 LEU 88 -9.441 -4.935 -5.199 669 H GLN 89 H GLN 89 -11.013 -4.742 -8.929 670 HA GLN 89 HA GLN 89 -13.203 -4.366 -9.431 671 HB2 GLN 89 HB2 GLN 89 -12.853 -2.197 -7.385 672 HB3 GLN 89 HB3 GLN 89 -14.409 -2.752 -7.982 673 HG2 GLN 89 HG2 GLN 89 -13.969 -4.967 -7.060 674 HG3 GLN 89 HG3 GLN 89 -12.397 -4.414 -6.486 675 HE21 GLN 89 HE21 GLN 89 -13.362 -1.816 -5.699 676 HE22 GLN 89 HE22 GLN 89 -14.291 -2.044 -4.263 677 H SER 90 H SER 90 -11.129 -3.090 -10.900 678 HA SER 90 HA SER 90 -11.060 -1.929 -12.857 679 HB2 SER 90 HB2 SER 90 -13.612 -2.138 -12.797 680 HB3 SER 90 HB3 SER 90 -13.611 -0.495 -12.168 681 HG SER 90 HG SER 90 -12.888 0.261 -14.046 682 H LYS 91 H LYS 91 -11.077 -0.748 -9.796 683 HA LYS 91 HA LYS 91 -10.344 1.996 -10.495 684 HB2 LYS 91 HB2 LYS 91 -11.467 0.739 -8.213 685 HB3 LYS 91 HB3 LYS 91 -9.892 1.353 -7.740 686 HG2 LYS 91 HG2 LYS 91 -12.039 2.996 -9.019 687 HG3 LYS 91 HG3 LYS 91 -11.677 2.941 -7.298 688 HD2 LYS 91 HD2 LYS 91 -9.237 3.370 -8.572 689 HD3 LYS 91 HD3 LYS 91 -10.389 4.436 -9.368 690 HE2 LYS 91 HE2 LYS 91 -11.110 5.122 -7.039 691 HE3 LYS 91 HE3 LYS 91 -9.670 4.295 -6.461 692 HZ1 LYS 91 HZ1 LYS 91 -9.202 6.619 -6.749 693 HZ2 LYS 91 HZ2 LYS 91 -9.737 6.585 -8.350 694 HZ3 LYS 91 HZ3 LYS 91 -8.343 5.743 -7.913 695 H THR 92 H THR 92 -8.241 2.715 -10.563 696 HA THR 92 HA THR 92 -6.185 0.681 -10.286 697 HB THR 92 HB THR 92 -5.284 3.368 -10.982 698 HG1 THR 92 HG1 THR 92 -6.675 3.741 -12.534 699 HG21 THR 92 HG21 THR 92 -4.172 2.139 -12.800 700 HG22 THR 92 HG22 THR 92 -5.057 0.683 -12.346 701 HG23 THR 92 HG23 THR 92 -3.879 1.383 -11.233 702 H ILE 93 H ILE 93 -5.036 0.450 -8.552 703 HA ILE 93 HA ILE 93 -5.162 2.461 -6.448 704 HB ILE 93 HB ILE 93 -4.350 0.704 -4.997 705 HG12 ILE 93 HG12 ILE 93 -4.175 -0.929 -7.541 706 HG13 ILE 93 HG13 ILE 93 -2.809 -0.358 -6.591 707 HG21 ILE 93 HG21 ILE 93 -6.279 -0.696 -5.091 708 HG22 ILE 93 HG22 ILE 93 -6.463 -0.416 -6.825 709 HG23 ILE 93 HG23 ILE 93 -6.764 0.896 -5.682 710 HD11 ILE 93 HD11 ILE 93 -3.171 -2.664 -6.148 711 HD12 ILE 93 HD12 ILE 93 -4.871 -2.371 -5.777 712 HD13 ILE 93 HD13 ILE 93 -3.612 -1.739 -4.714 713 H LYS 94 H LYS 94 -3.167 2.788 -5.113 714 HA LYS 94 HA LYS 94 -0.712 2.543 -6.704 715 HB2 LYS 94 HB2 LYS 94 -1.759 4.854 -6.868 716 HB3 LYS 94 HB3 LYS 94 -1.388 5.028 -5.159 717 HG2 LYS 94 HG2 LYS 94 0.914 4.908 -5.536 718 HG3 LYS 94 HG3 LYS 94 0.685 4.329 -7.191 719 HD2 LYS 94 HD2 LYS 94 -0.694 6.599 -7.373 720 HD3 LYS 94 HD3 LYS 94 0.449 7.076 -6.122 721 HE2 LYS 94 HE2 LYS 94 1.356 7.642 -8.285 722 HE3 LYS 94 HE3 LYS 94 2.295 6.314 -7.601 723 HZ1 LYS 94 HZ1 LYS 94 0.171 6.090 -9.666 724 HZ2 LYS 94 HZ2 LYS 94 0.960 4.775 -8.960 725 HZ3 LYS 94 HZ3 LYS 94 1.828 5.872 -9.904 726 H VAL 95 H VAL 95 0.581 1.308 -5.523 727 HA VAL 95 HA VAL 95 0.422 1.541 -2.624 728 HB VAL 95 HB VAL 95 0.587 -0.652 -2.465 729 HG11 VAL 95 HG11 VAL 95 0.108 -2.030 -4.409 730 HG12 VAL 95 HG12 VAL 95 0.546 -0.686 -5.464 731 HG13 VAL 95 HG13 VAL 95 -0.865 -0.552 -4.416 732 HG21 VAL 95 HG21 VAL 95 2.945 -0.400 -4.266 733 HG22 VAL 95 HG22 VAL 95 2.381 -1.960 -3.672 734 HG23 VAL 95 HG23 VAL 95 2.912 -0.716 -2.536 735 H SER 96 H SER 96 2.181 1.863 -1.366 736 HA SER 96 HA SER 96 4.843 2.180 -2.395 737 HB2 SER 96 HB2 SER 96 3.258 4.594 -1.454 738 HB3 SER 96 HB3 SER 96 5.003 4.579 -1.704 739 HG SER 96 HG SER 96 3.563 3.644 -3.853 740 H TYR 97 H TYR 97 6.278 2.988 -0.508 741 HA TYR 97 HA TYR 97 5.634 1.571 1.890 742 HB2 TYR 97 HB2 TYR 97 7.706 3.748 1.760 743 HB3 TYR 97 HB3 TYR 97 7.710 2.279 2.726 744 HD1 TYR 97 HD1 TYR 97 7.844 0.032 1.344 745 HD2 TYR 97 HD2 TYR 97 8.986 3.854 -0.123 746 HE1 TYR 97 HE1 TYR 97 9.267 -1.047 -0.351 747 HE2 TYR 97 HE2 TYR 97 10.404 2.802 -1.814 748 HH TYR 97 HH TYR 97 10.245 -0.521 -2.539 749 H ALA 98 H ALA 98 4.227 2.218 3.352 750 HA ALA 98 HA ALA 98 3.431 4.981 3.548 751 HB1 ALA 98 HB1 ALA 98 1.912 2.960 3.934 752 HB2 ALA 98 HB2 ALA 98 1.808 4.269 5.107 753 HB3 ALA 98 HB3 ALA 98 2.708 2.801 5.501 754 H ARG 99 H ARG 99 4.017 6.400 5.149 755 HA ARG 99 HA ARG 99 6.622 6.450 5.924 756 HB2 ARG 99 HB2 ARG 99 5.158 8.399 5.933 757 HB3 ARG 99 HB3 ARG 99 4.291 7.759 7.321 758 HG2 ARG 99 HG2 ARG 99 6.404 7.895 8.626 759 HG3 ARG 99 HG3 ARG 99 7.152 8.688 7.240 760 HD2 ARG 99 HD2 ARG 99 4.722 9.689 8.713 761 HD3 ARG 99 HD3 ARG 99 6.362 10.285 8.941 762 HE ARG 99 HE ARG 99 6.280 11.026 6.587 763 HH11 ARG 99 HH11 ARG 99 3.245 10.390 8.232 764 HH12 ARG 99 HH12 ARG 99 2.352 11.522 7.268 765 HH21 ARG 99 HH21 ARG 99 5.116 12.471 5.313 766 HH22 ARG 99 HH22 ARG 99 3.406 12.682 5.571 767 HA PRO 100 HA PRO 100 6.603 3.609 9.471 768 HB2 PRO 100 HB2 PRO 100 9.488 3.576 9.026 769 HB3 PRO 100 HB3 PRO 100 8.339 2.241 8.957 770 HG2 PRO 100 HG2 PRO 100 9.570 3.201 6.756 771 HG3 PRO 100 HG3 PRO 100 7.931 2.523 6.716 772 HD2 PRO 100 HD2 PRO 100 8.794 5.390 6.781 773 HD3 PRO 100 HD3 PRO 100 7.530 4.620 5.802 774 H SER 101 H SER 101 7.440 3.921 11.582 775 HA SER 101 HA SER 101 7.879 6.503 12.373 776 HB2 SER 101 HB2 SER 101 8.370 3.952 13.882 777 HB3 SER 101 HB3 SER 101 8.180 5.555 14.580 778 HG SER 101 HG SER 101 6.058 5.603 13.672 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 16.810 14.146 -6.840 2 H2 GLY 1 H2 GLY 1 17.246 15.661 -7.466 3 H3 GLY 1 H3 GLY 1 17.961 14.258 -8.079 4 HA2 GLY 1 HA2 GLY 1 15.081 14.914 -8.289 5 HA3 GLY 1 HA3 GLY 1 16.256 15.176 -9.569 6 H HIS 2 H HIS 2 14.047 13.028 -8.245 7 HA HIS 2 HA HIS 2 14.409 11.156 -10.334 8 HB2 HIS 2 HB2 HIS 2 16.309 10.481 -8.816 9 HB3 HIS 2 HB3 HIS 2 15.114 10.094 -7.584 10 HD1 HIS 2 HD1 HIS 2 16.602 8.835 -10.752 11 HD2 HIS 2 HD2 HIS 2 13.604 7.747 -8.085 12 HE1 HIS 2 HE1 HIS 2 15.997 6.468 -11.341 13 HE2 HIS 2 HE2 HIS 2 14.072 5.891 -9.822 14 H MET 3 H MET 3 12.181 12.147 -10.222 15 HA MET 3 HA MET 3 10.480 10.405 -8.583 16 HB2 MET 3 HB2 MET 3 10.558 12.698 -7.617 17 HB3 MET 3 HB3 MET 3 9.906 13.321 -9.127 18 HG2 MET 3 HG2 MET 3 7.886 11.993 -8.808 19 HG3 MET 3 HG3 MET 3 8.540 11.357 -7.301 20 HE1 MET 3 HE1 MET 3 8.670 14.585 -5.069 21 HE2 MET 3 HE2 MET 3 9.965 14.011 -6.117 22 HE3 MET 3 HE3 MET 3 9.030 12.862 -5.161 23 H SER 4 H SER 4 10.299 9.082 -10.432 24 HA SER 4 HA SER 4 8.884 10.186 -12.728 25 HB2 SER 4 HB2 SER 4 9.157 7.666 -13.450 26 HB3 SER 4 HB3 SER 4 10.541 8.761 -13.503 27 HG SER 4 HG SER 4 11.452 7.701 -11.916 28 H ASN 5 H ASN 5 8.321 8.399 -9.853 29 HA ASN 5 HA ASN 5 5.837 7.221 -10.655 30 HB2 ASN 5 HB2 ASN 5 7.280 7.544 -8.052 31 HB3 ASN 5 HB3 ASN 5 5.588 7.065 -8.047 32 HD21 ASN 5 HD21 ASN 5 6.155 5.074 -7.138 33 HD22 ASN 5 HD22 ASN 5 6.861 3.820 -8.092 34 H GLY 6 H GLY 6 6.666 9.955 -8.528 35 HA2 GLY 6 HA2 GLY 6 5.596 12.066 -8.722 36 HA3 GLY 6 HA3 GLY 6 4.214 11.265 -9.446 37 H TYR 7 H TYR 7 4.033 9.211 -7.379 38 HA TYR 7 HA TYR 7 2.121 10.456 -5.777 39 HB2 TYR 7 HB2 TYR 7 3.542 7.993 -4.801 40 HB3 TYR 7 HB3 TYR 7 1.850 8.432 -4.644 41 HD1 TYR 7 HD1 TYR 7 4.289 6.622 -6.525 42 HD2 TYR 7 HD2 TYR 7 0.365 8.304 -6.715 43 HE1 TYR 7 HE1 TYR 7 3.759 5.184 -8.451 44 HE2 TYR 7 HE2 TYR 7 -0.156 6.872 -8.645 45 HH TYR 7 HH TYR 7 1.110 5.673 -10.453 46 H GLU 8 H GLU 8 5.025 8.942 -4.481 47 HA GLU 8 HA GLU 8 4.908 10.741 -2.169 48 HB2 GLU 8 HB2 GLU 8 6.736 8.415 -2.222 49 HB3 GLU 8 HB3 GLU 8 5.752 9.035 -0.910 50 HG2 GLU 8 HG2 GLU 8 4.561 7.581 -3.234 51 HG3 GLU 8 HG3 GLU 8 5.207 6.747 -1.828 52 H ASP 9 H ASP 9 7.456 10.261 -1.251 53 HA ASP 9 HA ASP 9 9.287 11.103 -3.390 54 HB2 ASP 9 HB2 ASP 9 10.404 12.669 -1.883 55 HB3 ASP 9 HB3 ASP 9 8.706 13.093 -2.059 56 H HIS 10 H HIS 10 8.545 8.663 -1.562 57 HA HIS 10 HA HIS 10 10.916 8.089 -0.120 58 HB2 HIS 10 HB2 HIS 10 9.962 5.945 0.370 59 HB3 HIS 10 HB3 HIS 10 8.625 7.079 0.349 60 HD1 HIS 10 HD1 HIS 10 6.956 6.891 -1.681 61 HD2 HIS 10 HD2 HIS 10 9.862 3.932 -1.546 62 HE1 HIS 10 HE1 HIS 10 6.264 5.199 -3.422 63 HE2 HIS 10 HE2 HIS 10 8.096 3.462 -3.378 64 H MET 11 H MET 11 9.799 7.303 -3.276 65 HA MET 11 HA MET 11 12.156 5.689 -3.820 66 HB2 MET 11 HB2 MET 11 10.973 5.548 -6.154 67 HB3 MET 11 HB3 MET 11 10.387 4.590 -4.804 68 HG2 MET 11 HG2 MET 11 8.618 5.702 -6.146 69 HG3 MET 11 HG3 MET 11 8.582 6.074 -4.424 70 HE1 MET 11 HE1 MET 11 7.385 9.486 -5.566 71 HE2 MET 11 HE2 MET 11 7.229 8.156 -4.413 72 HE3 MET 11 HE3 MET 11 6.856 7.896 -6.118 73 H ALA 12 H ALA 12 11.649 8.735 -3.537 74 HA ALA 12 HA ALA 12 12.840 9.640 -6.028 75 HB1 ALA 12 HB1 ALA 12 10.888 10.852 -5.112 76 HB2 ALA 12 HB2 ALA 12 12.317 11.875 -5.281 77 HB3 ALA 12 HB3 ALA 12 11.851 11.272 -3.691 78 H GLU 13 H GLU 13 13.380 10.216 -2.516 79 HA GLU 13 HA GLU 13 16.038 9.498 -2.394 80 HB2 GLU 13 HB2 GLU 13 17.244 11.660 -2.593 81 HB3 GLU 13 HB3 GLU 13 16.572 11.096 -4.116 82 HG2 GLU 13 HG2 GLU 13 14.642 12.640 -3.737 83 HG3 GLU 13 HG3 GLU 13 15.516 13.289 -2.351 84 H ASP 14 H ASP 14 13.807 9.637 -0.593 85 HA ASP 14 HA ASP 14 15.050 10.709 1.649 86 HB2 ASP 14 HB2 ASP 14 14.024 12.753 0.353 87 HB3 ASP 14 HB3 ASP 14 12.522 12.191 1.088 88 H CYS 15 H CYS 15 12.954 11.192 3.320 89 HA CYS 15 HA CYS 15 11.391 10.273 4.634 90 HB2 CYS 15 HB2 CYS 15 10.812 8.710 2.155 91 HB3 CYS 15 HB3 CYS 15 9.946 8.441 3.670 92 HG CYS 15 HG CYS 15 9.941 11.258 1.731 93 H ARG 16 H ARG 16 10.720 8.265 5.725 94 HA ARG 16 HA ARG 16 13.065 6.614 6.214 95 HB2 ARG 16 HB2 ARG 16 10.446 6.864 7.713 96 HB3 ARG 16 HB3 ARG 16 11.777 5.821 8.195 97 HG2 ARG 16 HG2 ARG 16 11.904 7.768 9.515 98 HG3 ARG 16 HG3 ARG 16 13.211 7.862 8.338 99 HD2 ARG 16 HD2 ARG 16 11.677 9.286 6.926 100 HD3 ARG 16 HD3 ARG 16 10.576 9.322 8.301 101 HE ARG 16 HE ARG 16 13.163 10.142 9.106 102 HH11 ARG 16 HH11 ARG 16 10.380 11.244 7.312 103 HH12 ARG 16 HH12 ARG 16 10.675 12.921 7.624 104 HH21 ARG 16 HH21 ARG 16 13.562 12.355 9.528 105 HH22 ARG 16 HH22 ARG 16 12.481 13.556 8.894 106 H GLY 17 H GLY 17 12.774 5.560 4.121 107 HA2 GLY 17 HA2 GLY 17 10.869 3.330 4.385 108 HA3 GLY 17 HA3 GLY 17 11.049 4.188 2.856 109 H ASP 18 H ASP 18 13.662 3.407 5.068 110 HA ASP 18 HA ASP 18 14.593 1.280 3.287 111 HB2 ASP 18 HB2 ASP 18 16.803 2.235 3.057 112 HB3 ASP 18 HB3 ASP 18 15.624 3.420 2.509 113 H ILE 19 H ILE 19 13.540 1.640 6.056 114 HA ILE 19 HA ILE 19 15.822 0.800 7.675 115 HB ILE 19 HB ILE 19 13.368 1.073 9.161 116 HG12 ILE 19 HG12 ILE 19 13.911 3.784 8.544 117 HG13 ILE 19 HG13 ILE 19 13.714 2.947 7.011 118 HG21 ILE 19 HG21 ILE 19 15.969 2.586 9.193 119 HG22 ILE 19 HG22 ILE 19 15.596 1.132 10.119 120 HG23 ILE 19 HG23 ILE 19 14.740 2.636 10.456 121 HD11 ILE 19 HD11 ILE 19 11.549 2.113 7.719 122 HD12 ILE 19 HD12 ILE 19 11.611 3.873 7.781 123 HD13 ILE 19 HD13 ILE 19 11.733 2.934 9.269 124 H GLY 20 H GLY 20 12.383 0.065 7.879 125 HA2 GLY 20 HA2 GLY 20 12.740 -2.706 7.102 126 HA3 GLY 20 HA3 GLY 20 12.330 -2.463 8.803 127 H ARG 21 H ARG 21 11.360 -0.672 5.963 128 HA ARG 21 HA ARG 21 8.712 -0.395 6.884 129 HB2 ARG 21 HB2 ARG 21 8.473 0.362 4.321 130 HB3 ARG 21 HB3 ARG 21 9.098 1.395 5.594 131 HG2 ARG 21 HG2 ARG 21 10.507 1.550 3.669 132 HG3 ARG 21 HG3 ARG 21 11.380 0.742 4.967 133 HD2 ARG 21 HD2 ARG 21 11.062 -1.396 3.923 134 HD3 ARG 21 HD3 ARG 21 9.978 -0.700 2.720 135 HE ARG 21 HE ARG 21 12.418 0.627 2.508 136 HH11 ARG 21 HH11 ARG 21 11.115 -2.580 1.997 137 HH12 ARG 21 HH12 ARG 21 12.292 -3.006 0.798 138 HH21 ARG 21 HH21 ARG 21 13.960 0.071 0.917 139 HH22 ARG 21 HH22 ARG 21 13.908 -1.500 0.184 140 H THR 22 H THR 22 7.733 -2.318 7.161 141 HA THR 22 HA THR 22 7.269 -3.982 4.800 142 HB THR 22 HB THR 22 6.224 -5.550 6.432 143 HG1 THR 22 HG1 THR 22 5.584 -3.965 8.001 144 HG21 THR 22 HG21 THR 22 8.990 -4.595 7.191 145 HG22 THR 22 HG22 THR 22 8.608 -5.753 5.915 146 HG23 THR 22 HG23 THR 22 8.300 -6.166 7.601 147 H ASN 23 H ASN 23 5.939 -1.468 6.573 148 HA ASN 23 HA ASN 23 3.146 -2.059 6.166 149 HB2 ASN 23 HB2 ASN 23 4.092 -0.680 8.076 150 HB3 ASN 23 HB3 ASN 23 4.425 0.584 6.890 151 HD21 ASN 23 HD21 ASN 23 3.061 1.994 7.993 152 HD22 ASN 23 HD22 ASN 23 1.340 1.861 7.890 153 H LEU 24 H LEU 24 2.033 -1.620 4.367 154 HA LEU 24 HA LEU 24 3.209 0.276 2.447 155 HB2 LEU 24 HB2 LEU 24 2.367 -2.439 2.156 156 HB3 LEU 24 HB3 LEU 24 1.323 -1.424 1.179 157 HG LEU 24 HG LEU 24 3.166 -0.613 -0.104 158 HD11 LEU 24 HD11 LEU 24 4.917 -2.057 1.878 159 HD12 LEU 24 HD12 LEU 24 4.839 -0.318 1.591 160 HD13 LEU 24 HD13 LEU 24 5.476 -1.389 0.346 161 HD21 LEU 24 HD21 LEU 24 2.307 -2.806 -0.701 162 HD22 LEU 24 HD22 LEU 24 3.485 -3.563 0.367 163 HD23 LEU 24 HD23 LEU 24 4.026 -2.670 -1.054 164 H ILE 25 H ILE 25 2.166 2.086 2.337 165 HA ILE 25 HA ILE 25 -0.645 2.282 2.978 166 HB ILE 25 HB ILE 25 0.901 4.112 3.602 167 HG12 ILE 25 HG12 ILE 25 -1.354 4.732 1.713 168 HG13 ILE 25 HG13 ILE 25 -1.400 4.588 3.468 169 HG21 ILE 25 HG21 ILE 25 2.398 4.028 1.678 170 HG22 ILE 25 HG22 ILE 25 1.761 5.654 1.942 171 HG23 ILE 25 HG23 ILE 25 1.105 4.649 0.649 172 HD11 ILE 25 HD11 ILE 25 -0.159 6.606 3.728 173 HD12 ILE 25 HD12 ILE 25 -1.531 6.910 2.656 174 HD13 ILE 25 HD13 ILE 25 0.093 6.726 1.989 175 H VAL 26 H VAL 26 -2.137 1.794 1.536 176 HA VAL 26 HA VAL 26 -1.374 1.932 -1.308 177 HB VAL 26 HB VAL 26 -3.602 0.266 -0.145 178 HG11 VAL 26 HG11 VAL 26 -2.144 0.203 -2.787 179 HG12 VAL 26 HG12 VAL 26 -3.791 0.768 -2.520 180 HG13 VAL 26 HG13 VAL 26 -3.395 -0.934 -2.283 181 HG21 VAL 26 HG21 VAL 26 -1.491 -0.420 0.842 182 HG22 VAL 26 HG22 VAL 26 -0.759 -0.513 -0.760 183 HG23 VAL 26 HG23 VAL 26 -2.053 -1.626 -0.317 184 H ASN 27 H ASN 27 -2.134 3.712 -2.158 185 HA ASN 27 HA ASN 27 -4.639 4.872 -1.183 186 HB2 ASN 27 HB2 ASN 27 -2.245 6.047 -1.882 187 HB3 ASN 27 HB3 ASN 27 -3.234 6.314 -3.310 188 HD21 ASN 27 HD21 ASN 27 -2.448 7.377 -0.262 189 HD22 ASN 27 HD22 ASN 27 -3.728 8.506 -0.019 190 H TYR 28 H TYR 28 -5.809 6.048 -3.079 191 HA TYR 28 HA TYR 28 -7.111 5.910 -4.915 192 HB2 TYR 28 HB2 TYR 28 -4.800 4.299 -6.016 193 HB3 TYR 28 HB3 TYR 28 -6.100 5.019 -6.968 194 HD1 TYR 28 HD1 TYR 28 -6.311 7.566 -6.966 195 HD2 TYR 28 HD2 TYR 28 -2.917 5.525 -5.443 196 HE1 TYR 28 HE1 TYR 28 -4.995 9.635 -7.139 197 HE2 TYR 28 HE2 TYR 28 -1.576 7.576 -5.599 198 HH TYR 28 HH TYR 28 -1.628 9.702 -6.912 199 H LEU 29 H LEU 29 -7.278 3.857 -2.824 200 HA LEU 29 HA LEU 29 -8.056 1.405 -4.090 201 HB2 LEU 29 HB2 LEU 29 -8.729 2.517 -1.359 202 HB3 LEU 29 HB3 LEU 29 -9.104 0.892 -1.895 203 HG LEU 29 HG LEU 29 -6.400 2.075 -1.328 204 HD11 LEU 29 HD11 LEU 29 -7.684 1.189 0.563 205 HD12 LEU 29 HD12 LEU 29 -6.237 0.235 0.237 206 HD13 LEU 29 HD13 LEU 29 -7.819 -0.362 -0.266 207 HD21 LEU 29 HD21 LEU 29 -5.541 -0.183 -2.031 208 HD22 LEU 29 HD22 LEU 29 -6.059 0.883 -3.334 209 HD23 LEU 29 HD23 LEU 29 -7.100 -0.441 -2.812 210 HA PRO 30 HA PRO 30 -12.046 2.565 -5.608 211 HB2 PRO 30 HB2 PRO 30 -12.929 -0.093 -4.617 212 HB3 PRO 30 HB3 PRO 30 -13.052 0.603 -6.234 213 HG2 PRO 30 HG2 PRO 30 -11.264 -1.317 -5.619 214 HG3 PRO 30 HG3 PRO 30 -10.941 -0.069 -6.827 215 HD2 PRO 30 HD2 PRO 30 -9.865 -0.375 -4.092 216 HD3 PRO 30 HD3 PRO 30 -9.138 0.403 -5.511 217 H GLN 31 H GLN 31 -13.808 3.519 -4.677 218 HA GLN 31 HA GLN 31 -13.735 4.023 -1.906 219 HB2 GLN 31 HB2 GLN 31 -15.899 4.630 -3.917 220 HB3 GLN 31 HB3 GLN 31 -15.806 5.310 -2.302 221 HG2 GLN 31 HG2 GLN 31 -13.664 5.645 -4.378 222 HG3 GLN 31 HG3 GLN 31 -14.981 6.792 -4.133 223 HE21 GLN 31 HE21 GLN 31 -12.046 5.472 -2.856 224 HE22 GLN 31 HE22 GLN 31 -11.815 6.648 -1.609 225 H ASN 32 H ASN 32 -15.110 1.444 -3.589 226 HA ASN 32 HA ASN 32 -17.060 0.934 -1.450 227 HB2 ASN 32 HB2 ASN 32 -18.154 -0.594 -3.076 228 HB3 ASN 32 HB3 ASN 32 -18.103 1.074 -3.630 229 HD21 ASN 32 HD21 ASN 32 -18.305 0.509 -5.790 230 HD22 ASN 32 HD22 ASN 32 -17.026 -0.258 -6.671 231 H MET 33 H MET 33 -13.985 0.102 -2.185 232 HA MET 33 HA MET 33 -14.194 -2.756 -2.219 233 HB2 MET 33 HB2 MET 33 -12.287 -0.967 -2.997 234 HB3 MET 33 HB3 MET 33 -11.595 -1.611 -1.515 235 HG2 MET 33 HG2 MET 33 -11.791 -3.865 -2.377 236 HG3 MET 33 HG3 MET 33 -12.573 -3.262 -3.827 237 HE1 MET 33 HE1 MET 33 -8.252 -2.037 -2.826 238 HE2 MET 33 HE2 MET 33 -9.126 -3.147 -1.758 239 HE3 MET 33 HE3 MET 33 -9.694 -1.484 -1.963 240 H THR 34 H THR 34 -12.689 -3.998 -0.648 241 HA THR 34 HA THR 34 -13.395 -3.161 2.084 242 HB THR 34 HB THR 34 -13.919 -5.409 2.663 243 HG1 THR 34 HG1 THR 34 -13.591 -7.108 1.056 244 HG21 THR 34 HG21 THR 34 -15.711 -5.988 1.179 245 HG22 THR 34 HG22 THR 34 -14.970 -5.081 -0.143 246 HG23 THR 34 HG23 THR 34 -15.623 -4.226 1.261 247 H GLN 35 H GLN 35 -12.000 -4.109 3.802 248 HA GLN 35 HA GLN 35 -9.262 -4.008 3.406 249 HB2 GLN 35 HB2 GLN 35 -10.721 -5.783 5.369 250 HB3 GLN 35 HB3 GLN 35 -9.003 -5.425 5.410 251 HG2 GLN 35 HG2 GLN 35 -9.959 -4.066 7.037 252 HG3 GLN 35 HG3 GLN 35 -9.655 -3.006 5.668 253 HE21 GLN 35 HE21 GLN 35 -12.307 -5.280 5.751 254 HE22 GLN 35 HE22 GLN 35 -13.565 -4.094 5.879 255 H ASP 36 H ASP 36 -11.443 -6.763 3.293 256 HA ASP 36 HA ASP 36 -9.525 -8.779 3.009 257 HB2 ASP 36 HB2 ASP 36 -11.902 -9.131 3.611 258 HB3 ASP 36 HB3 ASP 36 -12.366 -8.727 1.964 259 H GLU 37 H GLU 37 -11.100 -6.747 0.587 260 HA GLU 37 HA GLU 37 -10.020 -8.139 -1.662 261 HB2 GLU 37 HB2 GLU 37 -11.084 -5.326 -1.369 262 HB3 GLU 37 HB3 GLU 37 -10.676 -6.076 -2.907 263 HG2 GLU 37 HG2 GLU 37 -12.760 -7.071 -0.979 264 HG3 GLU 37 HG3 GLU 37 -13.090 -6.132 -2.433 265 H LEU 38 H LEU 38 -9.176 -5.148 0.022 266 HA LEU 38 HA LEU 38 -6.839 -4.500 -1.366 267 HB2 LEU 38 HB2 LEU 38 -8.045 -2.992 0.144 268 HB3 LEU 38 HB3 LEU 38 -7.680 -4.012 1.508 269 HG LEU 38 HG LEU 38 -6.361 -1.800 1.132 270 HD11 LEU 38 HD11 LEU 38 -4.455 -2.721 2.263 271 HD12 LEU 38 HD12 LEU 38 -4.921 -4.352 1.782 272 HD13 LEU 38 HD13 LEU 38 -5.939 -3.434 2.896 273 HD21 LEU 38 HD21 LEU 38 -5.735 -2.237 -1.170 274 HD22 LEU 38 HD22 LEU 38 -4.872 -3.689 -0.672 275 HD23 LEU 38 HD23 LEU 38 -4.304 -2.103 -0.146 276 H ARG 39 H ARG 39 -7.462 -6.647 1.304 277 HA ARG 39 HA ARG 39 -4.744 -7.231 1.932 278 HB2 ARG 39 HB2 ARG 39 -6.818 -7.329 3.432 279 HB3 ARG 39 HB3 ARG 39 -7.193 -8.842 2.649 280 HG2 ARG 39 HG2 ARG 39 -4.625 -8.357 4.110 281 HG3 ARG 39 HG3 ARG 39 -6.072 -8.983 4.886 282 HD2 ARG 39 HD2 ARG 39 -6.085 -10.839 3.247 283 HD3 ARG 39 HD3 ARG 39 -4.543 -10.243 2.627 284 HE ARG 39 HE ARG 39 -4.261 -10.597 5.378 285 HH11 ARG 39 HH11 ARG 39 -4.870 -12.577 2.553 286 HH12 ARG 39 HH12 ARG 39 -4.054 -13.966 3.198 287 HH21 ARG 39 HH21 ARG 39 -3.182 -12.419 6.227 288 HH22 ARG 39 HH22 ARG 39 -3.087 -13.873 5.285 289 H SER 40 H SER 40 -7.262 -8.769 -0.038 290 HA SER 40 HA SER 40 -5.842 -11.207 -0.428 291 HB2 SER 40 HB2 SER 40 -8.328 -10.934 -0.641 292 HB3 SER 40 HB3 SER 40 -8.051 -10.071 -2.153 293 HG SER 40 HG SER 40 -7.952 -12.758 -1.610 294 H LEU 41 H LEU 41 -6.231 -8.280 -2.386 295 HA LEU 41 HA LEU 41 -4.783 -9.126 -4.640 296 HB2 LEU 41 HB2 LEU 41 -6.328 -7.141 -4.366 297 HB3 LEU 41 HB3 LEU 41 -5.006 -6.337 -3.559 298 HG LEU 41 HG LEU 41 -5.578 -6.092 -6.173 299 HD11 LEU 41 HD11 LEU 41 -3.322 -5.144 -6.415 300 HD12 LEU 41 HD12 LEU 41 -2.880 -5.875 -4.873 301 HD13 LEU 41 HD13 LEU 41 -4.128 -4.632 -4.934 302 HD21 LEU 41 HD21 LEU 41 -3.377 -8.153 -6.019 303 HD22 LEU 41 HD22 LEU 41 -3.861 -7.267 -7.468 304 HD23 LEU 41 HD23 LEU 41 -4.985 -8.394 -6.710 305 H PHE 42 H PHE 42 -3.763 -7.734 -1.599 306 HA PHE 42 HA PHE 42 -1.028 -7.628 -2.471 307 HB2 PHE 42 HB2 PHE 42 -2.435 -7.014 0.103 308 HB3 PHE 42 HB3 PHE 42 -0.670 -7.109 0.036 309 HD1 PHE 42 HD1 PHE 42 -3.523 -5.566 -1.822 310 HD2 PHE 42 HD2 PHE 42 0.515 -5.208 -0.488 311 HE1 PHE 42 HE1 PHE 42 -3.392 -3.327 -2.809 312 HE2 PHE 42 HE2 PHE 42 0.624 -2.953 -1.472 313 HZ PHE 42 HZ PHE 42 -1.316 -2.035 -2.629 314 H SER 43 H SER 43 -3.091 -9.884 -0.846 315 HA SER 43 HA SER 43 -1.047 -11.640 0.041 316 HB2 SER 43 HB2 SER 43 -3.454 -11.712 0.783 317 HB3 SER 43 HB3 SER 43 -3.868 -12.368 -0.798 318 HG SER 43 HG SER 43 -2.065 -13.546 1.060 319 H SER 44 H SER 44 -2.229 -10.778 -3.034 320 HA SER 44 HA SER 44 -1.617 -13.173 -4.435 321 HB2 SER 44 HB2 SER 44 -2.165 -12.013 -6.373 322 HB3 SER 44 HB3 SER 44 -3.051 -11.071 -5.172 323 HG SER 44 HG SER 44 -1.689 -9.446 -5.393 324 H ILE 45 H ILE 45 0.133 -10.304 -3.520 325 HA ILE 45 HA ILE 45 2.529 -10.796 -4.932 326 HB ILE 45 HB ILE 45 1.855 -9.192 -2.487 327 HG12 ILE 45 HG12 ILE 45 1.305 -8.504 -4.883 328 HG13 ILE 45 HG13 ILE 45 2.185 -7.328 -3.906 329 HG21 ILE 45 HG21 ILE 45 4.093 -9.988 -2.035 330 HG22 ILE 45 HG22 ILE 45 4.166 -8.285 -2.503 331 HG23 ILE 45 HG23 ILE 45 4.614 -9.540 -3.659 332 HD11 ILE 45 HD11 ILE 45 3.045 -7.496 -6.168 333 HD12 ILE 45 HD12 ILE 45 3.410 -9.200 -5.906 334 HD13 ILE 45 HD13 ILE 45 4.251 -7.960 -4.967 335 H GLY 46 H GLY 46 1.452 -11.733 -1.698 336 HA2 GLY 46 HA2 GLY 46 3.102 -13.998 -1.539 337 HA3 GLY 46 HA3 GLY 46 3.937 -12.656 -0.771 338 H GLU 47 H GLU 47 3.532 -12.308 1.315 339 HA GLU 47 HA GLU 47 1.006 -13.328 2.373 340 HB2 GLU 47 HB2 GLU 47 3.766 -13.861 3.389 341 HB3 GLU 47 HB3 GLU 47 2.397 -13.853 4.501 342 HG2 GLU 47 HG2 GLU 47 1.324 -15.598 3.344 343 HG3 GLU 47 HG3 GLU 47 2.443 -15.478 1.992 344 H VAL 48 H VAL 48 -0.114 -11.918 3.224 345 HA VAL 48 HA VAL 48 1.040 -9.359 4.040 346 HB VAL 48 HB VAL 48 -1.834 -10.194 3.636 347 HG11 VAL 48 HG11 VAL 48 -1.895 -8.526 5.292 348 HG12 VAL 48 HG12 VAL 48 -2.225 -7.694 3.772 349 HG13 VAL 48 HG13 VAL 48 -0.625 -7.591 4.509 350 HG21 VAL 48 HG21 VAL 48 -0.524 -10.038 1.580 351 HG22 VAL 48 HG22 VAL 48 -0.056 -8.391 2.010 352 HG23 VAL 48 HG23 VAL 48 -1.746 -8.767 1.673 353 H GLU 49 H GLU 49 1.471 -8.917 5.941 354 HA GLU 49 HA GLU 49 1.002 -10.652 8.089 355 HB2 GLU 49 HB2 GLU 49 2.966 -9.217 7.740 356 HB3 GLU 49 HB3 GLU 49 1.963 -7.825 8.136 357 HG2 GLU 49 HG2 GLU 49 2.051 -10.103 10.024 358 HG3 GLU 49 HG3 GLU 49 3.435 -9.045 9.911 359 H SER 50 H SER 50 -0.159 -7.381 7.287 360 HA SER 50 HA SER 50 -2.762 -7.982 8.370 361 HB2 SER 50 HB2 SER 50 -2.733 -6.050 9.983 362 HB3 SER 50 HB3 SER 50 -1.697 -7.396 10.457 363 HG SER 50 HG SER 50 0.090 -6.241 9.943 364 H ALA 51 H ALA 51 -4.265 -6.899 7.187 365 HA ALA 51 HA ALA 51 -3.364 -4.468 5.803 366 HB1 ALA 51 HB1 ALA 51 -5.197 -6.516 4.564 367 HB2 ALA 51 HB2 ALA 51 -3.466 -6.407 4.252 368 HB3 ALA 51 HB3 ALA 51 -4.521 -5.069 3.803 369 H LYS 52 H LYS 52 -4.525 -2.759 6.172 370 HA LYS 52 HA LYS 52 -7.294 -3.115 7.106 371 HB2 LYS 52 HB2 LYS 52 -7.008 -0.806 8.067 372 HB3 LYS 52 HB3 LYS 52 -6.096 -2.061 8.874 373 HG2 LYS 52 HG2 LYS 52 -4.127 -1.337 7.543 374 HG3 LYS 52 HG3 LYS 52 -5.101 0.025 6.982 375 HD2 LYS 52 HD2 LYS 52 -4.394 -0.587 9.857 376 HD3 LYS 52 HD3 LYS 52 -3.706 0.690 8.852 377 HE2 LYS 52 HE2 LYS 52 -5.662 1.879 8.780 378 HE3 LYS 52 HE3 LYS 52 -6.633 0.539 9.377 379 HZ1 LYS 52 HZ1 LYS 52 -6.293 2.213 11.084 380 HZ2 LYS 52 HZ2 LYS 52 -4.616 2.065 10.934 381 HZ3 LYS 52 HZ3 LYS 52 -5.528 0.769 11.524 382 H LEU 53 H LEU 53 -8.833 -1.599 6.426 383 HA LEU 53 HA LEU 53 -8.157 -0.097 3.997 384 HB2 LEU 53 HB2 LEU 53 -9.513 -1.973 3.367 385 HB3 LEU 53 HB3 LEU 53 -10.622 -1.689 4.693 386 HG LEU 53 HG LEU 53 -10.782 0.663 3.331 387 HD11 LEU 53 HD11 LEU 53 -10.462 -1.572 1.333 388 HD12 LEU 53 HD12 LEU 53 -9.406 -0.162 1.519 389 HD13 LEU 53 HD13 LEU 53 -11.074 0.046 0.972 390 HD21 LEU 53 HD21 LEU 53 -12.647 -0.607 4.204 391 HD22 LEU 53 HD22 LEU 53 -12.413 -1.850 2.978 392 HD23 LEU 53 HD23 LEU 53 -12.930 -0.234 2.504 393 H ILE 54 H ILE 54 -8.736 2.005 4.054 394 HA ILE 54 HA ILE 54 -9.765 2.924 6.632 395 HB ILE 54 HB ILE 54 -8.656 4.581 4.387 396 HG12 ILE 54 HG12 ILE 54 -6.896 3.096 5.046 397 HG13 ILE 54 HG13 ILE 54 -6.556 4.658 5.768 398 HG21 ILE 54 HG21 ILE 54 -8.335 6.277 6.133 399 HG22 ILE 54 HG22 ILE 54 -9.049 5.185 7.317 400 HG23 ILE 54 HG23 ILE 54 -10.029 5.804 5.991 401 HD11 ILE 54 HD11 ILE 54 -6.086 2.774 7.272 402 HD12 ILE 54 HD12 ILE 54 -7.790 2.320 7.208 403 HD13 ILE 54 HD13 ILE 54 -7.317 3.864 7.916 404 H ARG 55 H ARG 55 -11.832 3.413 6.822 405 HA ARG 55 HA ARG 55 -13.231 4.431 4.448 406 HB2 ARG 55 HB2 ARG 55 -14.513 2.713 6.571 407 HB3 ARG 55 HB3 ARG 55 -15.228 3.267 5.066 408 HG2 ARG 55 HG2 ARG 55 -13.382 1.924 3.918 409 HG3 ARG 55 HG3 ARG 55 -13.160 1.157 5.490 410 HD2 ARG 55 HD2 ARG 55 -15.730 1.263 3.914 411 HD3 ARG 55 HD3 ARG 55 -14.673 -0.142 4.084 412 HE ARG 55 HE ARG 55 -15.294 0.567 6.652 413 HH11 ARG 55 HH11 ARG 55 -17.117 -0.311 3.798 414 HH12 ARG 55 HH12 ARG 55 -18.459 -0.948 4.694 415 HH21 ARG 55 HH21 ARG 55 -17.053 -0.291 7.842 416 HH22 ARG 55 HH22 ARG 55 -18.417 -0.948 6.996 417 H ASP 56 H ASP 56 -15.235 5.607 5.035 418 HA ASP 56 HA ASP 56 -14.688 7.645 6.919 419 HB2 ASP 56 HB2 ASP 56 -16.103 7.920 4.874 420 HB3 ASP 56 HB3 ASP 56 -17.338 6.959 5.668 421 H LYS 57 H LYS 57 -15.489 8.021 8.865 422 HA LYS 57 HA LYS 57 -15.940 5.925 10.629 423 HB2 LYS 57 HB2 LYS 57 -16.980 8.111 11.929 424 HB3 LYS 57 HB3 LYS 57 -15.301 7.619 11.937 425 HG2 LYS 57 HG2 LYS 57 -15.510 9.983 11.462 426 HG3 LYS 57 HG3 LYS 57 -14.835 9.128 10.086 427 HD2 LYS 57 HD2 LYS 57 -16.956 9.218 8.919 428 HD3 LYS 57 HD3 LYS 57 -17.733 9.937 10.343 429 HE2 LYS 57 HE2 LYS 57 -17.273 11.690 8.776 430 HE3 LYS 57 HE3 LYS 57 -16.179 11.873 10.143 431 HZ1 LYS 57 HZ1 LYS 57 -15.509 10.683 7.498 432 HZ2 LYS 57 HZ2 LYS 57 -14.446 10.781 8.817 433 HZ3 LYS 57 HZ3 LYS 57 -15.003 12.192 8.079 434 H VAL 58 H VAL 58 -18.176 7.488 8.583 435 HA VAL 58 HA VAL 58 -20.415 6.652 10.291 436 HB VAL 58 HB VAL 58 -19.978 9.291 8.909 437 HG11 VAL 58 HG11 VAL 58 -22.254 8.670 8.450 438 HG12 VAL 58 HG12 VAL 58 -22.236 9.911 9.706 439 HG13 VAL 58 HG13 VAL 58 -22.513 8.224 10.139 440 HG21 VAL 58 HG21 VAL 58 -20.667 8.722 11.773 441 HG22 VAL 58 HG22 VAL 58 -20.094 10.235 11.069 442 HG23 VAL 58 HG23 VAL 58 -19.013 8.841 11.178 443 H ALA 59 H ALA 59 -19.572 7.882 7.090 444 HA ALA 59 HA ALA 59 -21.973 6.874 5.933 445 HB1 ALA 59 HB1 ALA 59 -19.540 7.992 4.573 446 HB2 ALA 59 HB2 ALA 59 -20.922 8.926 5.151 447 HB3 ALA 59 HB3 ALA 59 -21.128 7.760 3.843 448 H GLY 60 H GLY 60 -19.234 5.366 6.815 449 HA2 GLY 60 HA2 GLY 60 -18.445 3.238 6.524 450 HA3 GLY 60 HA3 GLY 60 -20.075 2.869 6.001 451 H HIS 61 H HIS 61 -17.818 5.006 4.310 452 HA HIS 61 HA HIS 61 -17.544 2.897 2.266 453 HB2 HIS 61 HB2 HIS 61 -17.625 4.562 0.487 454 HB3 HIS 61 HB3 HIS 61 -19.096 4.640 1.442 455 HD1 HIS 61 HD1 HIS 61 -19.762 6.901 2.232 456 HD2 HIS 61 HD2 HIS 61 -15.761 6.756 1.112 457 HE1 HIS 61 HE1 HIS 61 -18.929 9.270 2.374 458 HE2 HIS 61 HE2 HIS 61 -16.554 9.177 1.548 459 H SER 62 H SER 62 -15.577 2.850 1.119 460 HA SER 62 HA SER 62 -13.325 3.396 2.708 461 HB2 SER 62 HB2 SER 62 -13.309 1.587 1.066 462 HB3 SER 62 HB3 SER 62 -13.515 2.743 -0.247 463 HG SER 62 HG SER 62 -11.339 2.129 -0.026 464 H LEU 63 H LEU 63 -11.812 4.988 2.646 465 HA LEU 63 HA LEU 63 -12.681 7.449 1.347 466 HB2 LEU 63 HB2 LEU 63 -10.514 6.957 3.388 467 HB3 LEU 63 HB3 LEU 63 -10.983 8.533 2.777 468 HG LEU 63 HG LEU 63 -12.634 6.661 4.465 469 HD11 LEU 63 HD11 LEU 63 -11.049 7.959 5.727 470 HD12 LEU 63 HD12 LEU 63 -12.681 8.577 6.004 471 HD13 LEU 63 HD13 LEU 63 -11.580 9.442 4.929 472 HD21 LEU 63 HD21 LEU 63 -14.368 8.450 4.364 473 HD22 LEU 63 HD22 LEU 63 -14.140 7.576 2.853 474 HD23 LEU 63 HD23 LEU 63 -13.456 9.189 3.050 475 H GLY 64 H GLY 64 -10.852 4.909 0.495 476 HA2 GLY 64 HA2 GLY 64 -9.981 4.917 -1.720 477 HA3 GLY 64 HA3 GLY 64 -9.543 6.603 -1.511 478 H TYR 65 H TYR 65 -8.699 4.600 1.145 479 HA TYR 65 HA TYR 65 -6.248 3.670 0.002 480 HB2 TYR 65 HB2 TYR 65 -4.675 4.954 1.274 481 HB3 TYR 65 HB3 TYR 65 -5.721 6.069 0.409 482 HD1 TYR 65 HD1 TYR 65 -4.245 5.267 3.477 483 HD2 TYR 65 HD2 TYR 65 -7.729 7.021 1.795 484 HE1 TYR 65 HE1 TYR 65 -4.643 6.464 5.571 485 HE2 TYR 65 HE2 TYR 65 -8.142 8.225 3.889 486 HH TYR 65 HH TYR 65 -5.822 8.532 6.321 487 H GLY 66 H GLY 66 -4.834 2.601 1.611 488 HA2 GLY 66 HA2 GLY 66 -6.077 1.768 4.095 489 HA3 GLY 66 HA3 GLY 66 -5.963 0.523 2.865 490 H PHE 67 H PHE 67 -4.664 -0.083 5.086 491 HA PHE 67 HA PHE 67 -1.836 0.473 4.429 492 HB2 PHE 67 HB2 PHE 67 -3.092 0.347 7.170 493 HB3 PHE 67 HB3 PHE 67 -1.378 0.416 6.901 494 HD1 PHE 67 HD1 PHE 67 -4.324 2.223 7.420 495 HD2 PHE 67 HD2 PHE 67 -0.489 2.480 5.612 496 HE1 PHE 67 HE1 PHE 67 -4.478 4.688 7.452 497 HE2 PHE 67 HE2 PHE 67 -0.627 4.937 5.641 498 HZ PHE 67 HZ PHE 67 -2.624 6.044 6.562 499 H VAL 68 H VAL 68 -1.122 -1.442 3.641 500 HA VAL 68 HA VAL 68 -1.777 -3.821 5.206 501 HB VAL 68 HB VAL 68 -2.560 -4.639 3.312 502 HG11 VAL 68 HG11 VAL 68 -2.593 -2.413 2.343 503 HG12 VAL 68 HG12 VAL 68 -2.321 -3.681 1.146 504 HG13 VAL 68 HG13 VAL 68 -0.969 -2.685 1.698 505 HG21 VAL 68 HG21 VAL 68 -0.951 -5.646 1.724 506 HG22 VAL 68 HG22 VAL 68 -0.552 -5.979 3.410 507 HG23 VAL 68 HG23 VAL 68 0.347 -4.749 2.515 508 H ASN 69 H ASN 69 -0.281 -4.396 6.471 509 HA ASN 69 HA ASN 69 2.521 -3.860 5.947 510 HB2 ASN 69 HB2 ASN 69 1.336 -3.674 8.233 511 HB3 ASN 69 HB3 ASN 69 1.367 -5.420 8.250 512 HD21 ASN 69 HD21 ASN 69 3.236 -6.484 8.693 513 HD22 ASN 69 HD22 ASN 69 4.703 -5.689 9.143 514 H TYR 70 H TYR 70 3.804 -5.302 4.996 515 HA TYR 70 HA TYR 70 2.823 -8.008 4.571 516 HB2 TYR 70 HB2 TYR 70 5.032 -6.350 3.446 517 HB3 TYR 70 HB3 TYR 70 5.148 -8.097 3.356 518 HD1 TYR 70 HD1 TYR 70 3.832 -5.175 1.825 519 HD2 TYR 70 HD2 TYR 70 3.201 -9.352 2.277 520 HE1 TYR 70 HE1 TYR 70 2.482 -5.191 -0.222 521 HE2 TYR 70 HE2 TYR 70 1.849 -9.378 0.230 522 HH TYR 70 HH TYR 70 1.798 -6.807 -1.950 523 H VAL 71 H VAL 71 4.487 -9.774 4.748 524 HA VAL 71 HA VAL 71 5.438 -9.784 7.461 525 HB VAL 71 HB VAL 71 6.082 -12.107 7.040 526 HG11 VAL 71 HG11 VAL 71 3.798 -11.607 7.698 527 HG12 VAL 71 HG12 VAL 71 3.823 -12.971 6.575 528 HG13 VAL 71 HG13 VAL 71 3.343 -11.370 6.008 529 HG21 VAL 71 HG21 VAL 71 5.620 -13.153 4.879 530 HG22 VAL 71 HG22 VAL 71 6.826 -11.873 4.726 531 HG23 VAL 71 HG23 VAL 71 5.164 -11.585 4.212 532 H THR 72 H THR 72 6.801 -9.274 4.297 533 HA THR 72 HA THR 72 9.401 -8.843 5.606 534 HB THR 72 HB THR 72 10.447 -9.114 3.360 535 HG1 THR 72 HG1 THR 72 7.858 -9.410 2.598 536 HG21 THR 72 HG21 THR 72 10.691 -10.933 4.850 537 HG22 THR 72 HG22 THR 72 10.313 -11.582 3.248 538 HG23 THR 72 HG23 THR 72 9.064 -11.516 4.496 539 H ALA 73 H ALA 73 10.703 -7.147 4.435 540 HA ALA 73 HA ALA 73 9.017 -5.012 3.373 541 HB1 ALA 73 HB1 ALA 73 11.070 -3.684 3.333 542 HB2 ALA 73 HB2 ALA 73 12.005 -5.099 3.813 543 HB3 ALA 73 HB3 ALA 73 10.825 -4.404 4.926 544 H LYS 74 H LYS 74 10.654 -7.711 2.449 545 HA LYS 74 HA LYS 74 11.606 -7.075 -0.132 546 HB2 LYS 74 HB2 LYS 74 12.560 -8.943 0.844 547 HB3 LYS 74 HB3 LYS 74 11.024 -9.560 1.413 548 HG2 LYS 74 HG2 LYS 74 11.195 -9.447 -1.480 549 HG3 LYS 74 HG3 LYS 74 12.425 -10.477 -0.743 550 HD2 LYS 74 HD2 LYS 74 10.888 -11.923 0.133 551 HD3 LYS 74 HD3 LYS 74 9.622 -10.699 0.237 552 HE2 LYS 74 HE2 LYS 74 8.952 -12.129 -1.505 553 HE3 LYS 74 HE3 LYS 74 9.632 -10.707 -2.298 554 HZ1 LYS 74 HZ1 LYS 74 11.688 -11.905 -2.645 555 HZ2 LYS 74 HZ2 LYS 74 10.403 -12.773 -3.314 556 HZ3 LYS 74 HZ3 LYS 74 11.075 -13.262 -1.844 557 H ASP 75 H ASP 75 8.662 -8.844 0.861 558 HA ASP 75 HA ASP 75 7.584 -8.738 -1.814 559 HB2 ASP 75 HB2 ASP 75 5.642 -9.863 -0.860 560 HB3 ASP 75 HB3 ASP 75 7.136 -10.612 -0.353 561 H ALA 76 H ALA 76 7.374 -6.851 1.032 562 HA ALA 76 HA ALA 76 5.294 -5.098 0.371 563 HB1 ALA 76 HB1 ALA 76 6.485 -3.401 1.675 564 HB2 ALA 76 HB2 ALA 76 7.957 -4.371 1.615 565 HB3 ALA 76 HB3 ALA 76 6.545 -4.966 2.487 566 H GLU 77 H GLU 77 8.743 -4.727 -0.477 567 HA GLU 77 HA GLU 77 8.425 -2.708 -2.412 568 HB2 GLU 77 HB2 GLU 77 10.612 -3.236 -1.566 569 HB3 GLU 77 HB3 GLU 77 10.471 -4.912 -2.071 570 HG2 GLU 77 HG2 GLU 77 10.507 -4.205 -4.407 571 HG3 GLU 77 HG3 GLU 77 10.676 -2.527 -3.893 572 H ARG 78 H ARG 78 8.011 -6.187 -2.544 573 HA ARG 78 HA ARG 78 7.967 -6.469 -5.347 574 HB2 ARG 78 HB2 ARG 78 8.220 -8.289 -3.610 575 HB3 ARG 78 HB3 ARG 78 6.487 -8.164 -3.354 576 HG2 ARG 78 HG2 ARG 78 6.064 -8.839 -5.618 577 HG3 ARG 78 HG3 ARG 78 7.794 -8.865 -5.960 578 HD2 ARG 78 HD2 ARG 78 8.100 -10.629 -4.293 579 HD3 ARG 78 HD3 ARG 78 6.374 -10.601 -3.941 580 HE ARG 78 HE ARG 78 6.838 -11.059 -6.707 581 HH11 ARG 78 HH11 ARG 78 6.920 -12.650 -3.587 582 HH12 ARG 78 HH12 ARG 78 6.650 -14.230 -4.239 583 HH21 ARG 78 HH21 ARG 78 6.497 -13.153 -7.571 584 HH22 ARG 78 HH22 ARG 78 6.430 -14.520 -6.503 585 H ALA 79 H ALA 79 5.494 -5.785 -2.919 586 HA ALA 79 HA ALA 79 3.306 -5.861 -4.691 587 HB1 ALA 79 HB1 ALA 79 2.052 -4.678 -2.987 588 HB2 ALA 79 HB2 ALA 79 3.550 -4.217 -2.173 589 HB3 ALA 79 HB3 ALA 79 3.068 -5.909 -2.230 590 H ILE 80 H ILE 80 5.545 -3.336 -3.753 591 HA ILE 80 HA ILE 80 4.196 -1.264 -5.116 592 HB ILE 80 HB ILE 80 7.114 -1.375 -4.507 593 HG12 ILE 80 HG12 ILE 80 4.848 -0.381 -2.780 594 HG13 ILE 80 HG13 ILE 80 5.739 -1.873 -2.509 595 HG21 ILE 80 HG21 ILE 80 5.228 0.948 -4.766 596 HG22 ILE 80 HG22 ILE 80 6.333 0.392 -6.035 597 HG23 ILE 80 HG23 ILE 80 6.976 1.016 -4.509 598 HD11 ILE 80 HD11 ILE 80 6.493 -0.097 -1.049 599 HD12 ILE 80 HD12 ILE 80 6.892 0.895 -2.450 600 HD13 ILE 80 HD13 ILE 80 7.767 -0.607 -2.153 601 H ASN 81 H ASN 81 6.731 -3.516 -6.144 602 HA ASN 81 HA ASN 81 6.940 -2.069 -8.644 603 HB2 ASN 81 HB2 ASN 81 8.646 -3.763 -9.241 604 HB3 ASN 81 HB3 ASN 81 9.002 -2.863 -7.773 605 HD21 ASN 81 HD21 ASN 81 10.236 -4.212 -6.684 606 HD22 ASN 81 HD22 ASN 81 9.792 -5.814 -6.209 607 H THR 82 H THR 82 5.385 -4.872 -7.409 608 HA THR 82 HA THR 82 4.742 -5.816 -10.058 609 HB THR 82 HB THR 82 4.310 -6.893 -7.310 610 HG1 THR 82 HG1 THR 82 6.240 -7.243 -8.701 611 HG21 THR 82 HG21 THR 82 3.130 -8.849 -8.428 612 HG22 THR 82 HG22 THR 82 2.891 -7.785 -9.817 613 HG23 THR 82 HG23 THR 82 2.187 -7.369 -8.248 614 H LEU 83 H LEU 83 2.797 -4.934 -7.160 615 HA LEU 83 HA LEU 83 0.411 -4.929 -8.742 616 HB2 LEU 83 HB2 LEU 83 0.861 -4.096 -5.890 617 HB3 LEU 83 HB3 LEU 83 -0.688 -4.239 -6.665 618 HG LEU 83 HG LEU 83 1.212 -6.513 -6.121 619 HD11 LEU 83 HD11 LEU 83 -1.088 -7.066 -4.800 620 HD12 LEU 83 HD12 LEU 83 -1.037 -5.299 -4.674 621 HD13 LEU 83 HD13 LEU 83 0.313 -6.266 -4.078 622 HD21 LEU 83 HD21 LEU 83 -1.536 -6.505 -7.360 623 HD22 LEU 83 HD22 LEU 83 -0.669 -7.947 -6.833 624 HD23 LEU 83 HD23 LEU 83 -0.026 -6.959 -8.148 625 H ASN 84 H ASN 84 2.294 -2.424 -7.020 626 HA ASN 84 HA ASN 84 0.558 -0.373 -6.906 627 HB2 ASN 84 HB2 ASN 84 2.846 -0.291 -6.054 628 HB3 ASN 84 HB3 ASN 84 3.460 -0.124 -7.698 629 HD21 ASN 84 HD21 ASN 84 4.463 1.803 -7.149 630 HD22 ASN 84 HD22 ASN 84 3.579 3.267 -6.945 631 H GLY 85 H GLY 85 -0.757 0.567 -8.229 632 HA2 GLY 85 HA2 GLY 85 -1.489 1.600 -10.203 633 HA3 GLY 85 HA3 GLY 85 -0.080 0.974 -11.043 634 H LEU 86 H LEU 86 -2.039 -1.056 -8.982 635 HA LEU 86 HA LEU 86 -2.596 -2.804 -11.232 636 HB2 LEU 86 HB2 LEU 86 -1.893 -3.351 -8.721 637 HB3 LEU 86 HB3 LEU 86 -3.621 -3.283 -8.465 638 HG LEU 86 HG LEU 86 -2.827 -5.580 -8.770 639 HD11 LEU 86 HD11 LEU 86 -4.393 -6.284 -10.513 640 HD12 LEU 86 HD12 LEU 86 -4.539 -4.606 -11.044 641 HD13 LEU 86 HD13 LEU 86 -5.097 -5.077 -9.437 642 HD21 LEU 86 HD21 LEU 86 -1.952 -6.353 -10.885 643 HD22 LEU 86 HD22 LEU 86 -0.926 -5.070 -10.244 644 HD23 LEU 86 HD23 LEU 86 -2.054 -4.726 -11.553 645 H ARG 87 H ARG 87 -4.558 -3.075 -12.173 646 HA ARG 87 HA ARG 87 -6.673 -1.262 -11.562 647 HB2 ARG 87 HB2 ARG 87 -6.462 -3.617 -13.427 648 HB3 ARG 87 HB3 ARG 87 -7.955 -2.707 -13.232 649 HG2 ARG 87 HG2 ARG 87 -5.330 -1.498 -14.059 650 HG3 ARG 87 HG3 ARG 87 -6.595 -2.007 -15.183 651 HD2 ARG 87 HD2 ARG 87 -8.145 -0.431 -14.161 652 HD3 ARG 87 HD3 ARG 87 -6.916 0.046 -12.994 653 HE ARG 87 HE ARG 87 -5.791 0.488 -15.461 654 HH11 ARG 87 HH11 ARG 87 -8.683 1.584 -13.812 655 HH12 ARG 87 HH12 ARG 87 -8.657 3.153 -14.552 656 HH21 ARG 87 HH21 ARG 87 -5.769 2.541 -16.443 657 HH22 ARG 87 HH22 ARG 87 -7.000 3.697 -16.051 658 H LEU 88 H LEU 88 -7.153 -1.622 -9.451 659 HA LEU 88 HA LEU 88 -8.226 -4.203 -8.610 660 HB2 LEU 88 HB2 LEU 88 -6.673 -2.681 -7.235 661 HB3 LEU 88 HB3 LEU 88 -8.081 -1.659 -7.053 662 HG LEU 88 HG LEU 88 -9.033 -2.961 -5.506 663 HD11 LEU 88 HD11 LEU 88 -9.427 -4.852 -6.961 664 HD12 LEU 88 HD12 LEU 88 -8.876 -5.382 -5.372 665 HD13 LEU 88 HD13 LEU 88 -7.761 -5.391 -6.740 666 HD21 LEU 88 HD21 LEU 88 -6.166 -3.866 -5.361 667 HD22 LEU 88 HD22 LEU 88 -7.352 -4.043 -4.067 668 HD23 LEU 88 HD23 LEU 88 -6.867 -2.432 -4.605 669 H GLN 89 H GLN 89 -10.217 -4.487 -9.297 670 HA GLN 89 HA GLN 89 -12.399 -4.155 -9.848 671 HB2 GLN 89 HB2 GLN 89 -12.284 -1.967 -7.820 672 HB3 GLN 89 HB3 GLN 89 -13.736 -2.769 -8.401 673 HG2 GLN 89 HG2 GLN 89 -12.772 -4.906 -7.470 674 HG3 GLN 89 HG3 GLN 89 -11.548 -3.897 -6.689 675 HE21 GLN 89 HE21 GLN 89 -13.423 -1.717 -6.308 676 HE22 GLN 89 HE22 GLN 89 -14.468 -2.169 -5.008 677 H SER 90 H SER 90 -10.415 -2.814 -11.324 678 HA SER 90 HA SER 90 -10.372 -1.512 -13.202 679 HB2 SER 90 HB2 SER 90 -12.914 -1.798 -13.136 680 HB3 SER 90 HB3 SER 90 -12.962 -0.217 -12.369 681 HG SER 90 HG SER 90 -12.777 0.616 -14.273 682 H LYS 91 H LYS 91 -10.434 -0.545 -10.082 683 HA LYS 91 HA LYS 91 -9.775 2.266 -10.534 684 HB2 LYS 91 HB2 LYS 91 -10.922 0.779 -8.439 685 HB3 LYS 91 HB3 LYS 91 -9.355 1.295 -7.845 686 HG2 LYS 91 HG2 LYS 91 -11.463 3.115 -8.939 687 HG3 LYS 91 HG3 LYS 91 -11.121 2.830 -7.234 688 HD2 LYS 91 HD2 LYS 91 -8.672 3.439 -8.022 689 HD3 LYS 91 HD3 LYS 91 -9.581 4.349 -9.235 690 HE2 LYS 91 HE2 LYS 91 -10.969 4.983 -7.047 691 HE3 LYS 91 HE3 LYS 91 -9.386 4.740 -6.323 692 HZ1 LYS 91 HZ1 LYS 91 -8.465 6.340 -7.889 693 HZ2 LYS 91 HZ2 LYS 91 -9.704 7.042 -6.978 694 HZ3 LYS 91 HZ3 LYS 91 -9.989 6.578 -8.579 695 H THR 92 H THR 92 -7.651 3.068 -10.347 696 HA THR 92 HA THR 92 -5.633 0.959 -10.230 697 HB THR 92 HB THR 92 -4.652 3.630 -10.884 698 HG1 THR 92 HG1 THR 92 -6.659 3.820 -11.908 699 HG21 THR 92 HG21 THR 92 -3.635 2.373 -12.770 700 HG22 THR 92 HG22 THR 92 -4.507 0.935 -12.238 701 HG23 THR 92 HG23 THR 92 -3.279 1.658 -11.196 702 H ILE 93 H ILE 93 -4.434 0.680 -8.545 703 HA ILE 93 HA ILE 93 -4.809 2.458 -6.290 704 HB ILE 93 HB ILE 93 -3.856 0.589 -4.964 705 HG12 ILE 93 HG12 ILE 93 -3.690 -1.651 -6.134 706 HG13 ILE 93 HG13 ILE 93 -3.746 -0.797 -7.664 707 HG21 ILE 93 HG21 ILE 93 -6.103 -0.205 -6.810 708 HG22 ILE 93 HG22 ILE 93 -6.268 0.854 -5.409 709 HG23 ILE 93 HG23 ILE 93 -5.806 -0.836 -5.186 710 HD11 ILE 93 HD11 ILE 93 -1.509 -1.284 -7.254 711 HD12 ILE 93 HD12 ILE 93 -1.635 -0.807 -5.568 712 HD13 ILE 93 HD13 ILE 93 -1.694 0.424 -6.830 713 H LYS 94 H LYS 94 -2.974 2.888 -4.788 714 HA LYS 94 HA LYS 94 -0.341 2.801 -6.111 715 HB2 LYS 94 HB2 LYS 94 -0.989 5.133 -6.135 716 HB3 LYS 94 HB3 LYS 94 -1.402 5.081 -4.425 717 HG2 LYS 94 HG2 LYS 94 1.165 4.242 -4.347 718 HG3 LYS 94 HG3 LYS 94 1.217 5.324 -5.731 719 HD2 LYS 94 HD2 LYS 94 1.728 6.688 -3.911 720 HD3 LYS 94 HD3 LYS 94 0.026 6.996 -4.226 721 HE2 LYS 94 HE2 LYS 94 -0.566 5.429 -2.425 722 HE3 LYS 94 HE3 LYS 94 1.148 5.188 -2.097 723 HZ1 LYS 94 HZ1 LYS 94 0.188 6.806 -0.581 724 HZ2 LYS 94 HZ2 LYS 94 -0.302 7.774 -1.876 725 HZ3 LYS 94 HZ3 LYS 94 1.347 7.542 -1.571 726 H VAL 95 H VAL 95 0.725 1.279 -5.021 727 HA VAL 95 HA VAL 95 0.486 1.261 -2.102 728 HB VAL 95 HB VAL 95 0.648 -0.934 -2.121 729 HG11 VAL 95 HG11 VAL 95 0.210 -2.133 -4.220 730 HG12 VAL 95 HG12 VAL 95 0.509 -0.634 -5.096 731 HG13 VAL 95 HG13 VAL 95 -0.847 -0.738 -3.975 732 HG21 VAL 95 HG21 VAL 95 2.981 -0.596 -3.939 733 HG22 VAL 95 HG22 VAL 95 2.402 -2.176 -3.415 734 HG23 VAL 95 HG23 VAL 95 2.975 -1.004 -2.225 735 H SER 96 H SER 96 2.144 1.738 -0.843 736 HA SER 96 HA SER 96 4.861 1.971 -1.753 737 HB2 SER 96 HB2 SER 96 3.257 4.457 -1.041 738 HB3 SER 96 HB3 SER 96 5.012 4.413 -1.200 739 HG SER 96 HG SER 96 3.654 3.359 -3.353 740 H TYR 97 H TYR 97 6.299 2.339 0.078 741 HA TYR 97 HA TYR 97 5.482 1.226 2.523 742 HB2 TYR 97 HB2 TYR 97 7.711 3.242 2.350 743 HB3 TYR 97 HB3 TYR 97 7.583 1.830 3.388 744 HD1 TYR 97 HD1 TYR 97 7.502 -0.494 2.040 745 HD2 TYR 97 HD2 TYR 97 9.123 3.159 0.582 746 HE1 TYR 97 HE1 TYR 97 8.891 -1.750 0.441 747 HE2 TYR 97 HE2 TYR 97 10.510 1.927 -1.014 748 HH TYR 97 HH TYR 97 10.031 -1.365 -1.707 749 H ALA 98 H ALA 98 4.039 2.031 3.880 750 HA ALA 98 HA ALA 98 3.459 4.842 3.988 751 HB1 ALA 98 HB1 ALA 98 1.858 2.836 4.472 752 HB2 ALA 98 HB2 ALA 98 1.712 4.306 5.431 753 HB3 ALA 98 HB3 ALA 98 2.553 2.901 6.092 754 H ARG 99 H ARG 99 5.121 6.028 4.721 755 HA ARG 99 HA ARG 99 7.316 5.170 6.080 756 HB2 ARG 99 HB2 ARG 99 6.099 7.906 5.894 757 HB3 ARG 99 HB3 ARG 99 7.593 7.630 6.776 758 HG2 ARG 99 HG2 ARG 99 8.177 8.375 4.610 759 HG3 ARG 99 HG3 ARG 99 8.551 6.653 4.683 760 HD2 ARG 99 HD2 ARG 99 7.512 7.157 2.571 761 HD3 ARG 99 HD3 ARG 99 6.410 6.184 3.541 762 HE ARG 99 HE ARG 99 5.953 8.992 3.852 763 HH11 ARG 99 HH11 ARG 99 5.239 6.196 1.870 764 HH12 ARG 99 HH12 ARG 99 3.877 6.942 1.077 765 HH21 ARG 99 HH21 ARG 99 4.139 9.952 2.870 766 HH22 ARG 99 HH22 ARG 99 3.229 9.069 1.684 767 HA PRO 100 HA PRO 100 5.746 4.389 10.202 768 HB2 PRO 100 HB2 PRO 100 8.625 3.932 10.707 769 HB3 PRO 100 HB3 PRO 100 7.252 2.859 10.984 770 HG2 PRO 100 HG2 PRO 100 8.968 2.399 8.998 771 HG3 PRO 100 HG3 PRO 100 7.231 2.096 8.801 772 HD2 PRO 100 HD2 PRO 100 8.872 4.404 7.838 773 HD3 PRO 100 HD3 PRO 100 7.586 3.511 7.002 774 H SER 101 H SER 101 5.469 5.851 11.774 775 HA SER 101 HA SER 101 7.354 7.429 12.918 776 HB2 SER 101 HB2 SER 101 7.330 8.525 10.687 777 HB3 SER 101 HB3 SER 101 5.657 8.984 10.978 778 HG SER 101 HG SER 101 7.914 10.187 11.801 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 7.097 23.684 -6.442 2 H2 GLY 1 H2 GLY 1 5.780 23.771 -5.390 3 H3 GLY 1 H3 GLY 1 5.799 22.618 -6.625 4 HA2 GLY 1 HA2 GLY 1 7.621 22.708 -4.292 5 HA3 GLY 1 HA3 GLY 1 6.295 21.577 -4.522 6 H HIS 2 H HIS 2 8.738 20.555 -4.063 7 HA HIS 2 HA HIS 2 10.062 19.968 -6.573 8 HB2 HIS 2 HB2 HIS 2 10.566 19.235 -3.708 9 HB3 HIS 2 HB3 HIS 2 11.380 18.362 -5.000 10 HD1 HIS 2 HD1 HIS 2 11.271 21.696 -3.301 11 HD2 HIS 2 HD2 HIS 2 13.372 19.787 -6.337 12 HE1 HIS 2 HE1 HIS 2 13.251 23.169 -3.790 13 HE2 HIS 2 HE2 HIS 2 14.591 21.906 -5.502 14 H MET 3 H MET 3 8.571 18.862 -7.783 15 HA MET 3 HA MET 3 7.578 17.038 -8.677 16 HB2 MET 3 HB2 MET 3 9.711 15.929 -8.241 17 HB3 MET 3 HB3 MET 3 9.191 15.541 -6.606 18 HG2 MET 3 HG2 MET 3 7.399 14.139 -7.520 19 HG3 MET 3 HG3 MET 3 7.956 14.509 -9.150 20 HE1 MET 3 HE1 MET 3 10.272 13.756 -10.128 21 HE2 MET 3 HE2 MET 3 11.472 12.825 -9.238 22 HE3 MET 3 HE3 MET 3 11.131 14.491 -8.777 23 H SER 4 H SER 4 5.514 17.637 -8.075 24 HA SER 4 HA SER 4 4.346 16.950 -5.579 25 HB2 SER 4 HB2 SER 4 3.520 18.751 -7.134 26 HB3 SER 4 HB3 SER 4 2.928 17.480 -8.202 27 HG SER 4 HG SER 4 1.891 18.434 -5.845 28 H ASN 5 H ASN 5 4.066 14.918 -4.936 29 HA ASN 5 HA ASN 5 3.003 12.953 -6.822 30 HB2 ASN 5 HB2 ASN 5 5.424 12.676 -6.909 31 HB3 ASN 5 HB3 ASN 5 5.503 12.569 -5.155 32 HD21 ASN 5 HD21 ASN 5 6.577 10.558 -5.473 33 HD22 ASN 5 HD22 ASN 5 5.673 9.121 -5.796 34 H GLY 6 H GLY 6 1.604 11.519 -5.924 35 HA2 GLY 6 HA2 GLY 6 0.704 12.100 -3.231 36 HA3 GLY 6 HA3 GLY 6 -0.077 11.033 -4.386 37 H TYR 7 H TYR 7 2.737 9.837 -4.720 38 HA TYR 7 HA TYR 7 2.775 8.250 -2.254 39 HB2 TYR 7 HB2 TYR 7 3.857 6.468 -3.824 40 HB3 TYR 7 HB3 TYR 7 2.107 6.663 -3.823 41 HD1 TYR 7 HD1 TYR 7 1.017 7.912 -5.640 42 HD2 TYR 7 HD2 TYR 7 5.134 6.903 -5.775 43 HE1 TYR 7 HE1 TYR 7 1.023 8.306 -8.079 44 HE2 TYR 7 HE2 TYR 7 5.165 7.292 -8.206 45 HH TYR 7 HH TYR 7 2.605 8.841 -9.850 46 H GLU 8 H GLU 8 4.124 10.383 -1.929 47 HA GLU 8 HA GLU 8 6.624 10.458 -3.393 48 HB2 GLU 8 HB2 GLU 8 6.785 12.685 -2.772 49 HB3 GLU 8 HB3 GLU 8 5.059 12.435 -2.941 50 HG2 GLU 8 HG2 GLU 8 6.654 12.713 -0.414 51 HG3 GLU 8 HG3 GLU 8 5.414 13.792 -1.039 52 H ASP 9 H ASP 9 8.059 11.889 -1.435 53 HA ASP 9 HA ASP 9 9.431 11.722 0.360 54 HB2 ASP 9 HB2 ASP 9 7.651 10.792 1.717 55 HB3 ASP 9 HB3 ASP 9 7.924 9.201 1.017 56 H HIS 10 H HIS 10 8.924 8.438 -0.644 57 HA HIS 10 HA HIS 10 11.742 7.909 -0.752 58 HB2 HIS 10 HB2 HIS 10 11.187 5.671 -1.114 59 HB3 HIS 10 HB3 HIS 10 9.829 6.260 -0.170 60 HD1 HIS 10 HD1 HIS 10 7.743 7.178 -1.907 61 HD2 HIS 10 HD2 HIS 10 10.340 4.200 -3.216 62 HE1 HIS 10 HE1 HIS 10 6.586 6.078 -3.848 63 HE2 HIS 10 HE2 HIS 10 8.220 4.349 -4.688 64 H MET 11 H MET 11 10.004 9.731 -2.686 65 HA MET 11 HA MET 11 10.775 8.673 -5.254 66 HB2 MET 11 HB2 MET 11 9.802 10.877 -6.100 67 HB3 MET 11 HB3 MET 11 8.695 9.741 -5.347 68 HG2 MET 11 HG2 MET 11 8.149 11.907 -4.573 69 HG3 MET 11 HG3 MET 11 8.902 11.041 -3.240 70 HE1 MET 11 HE1 MET 11 8.651 13.818 -2.567 71 HE2 MET 11 HE2 MET 11 10.283 14.399 -2.226 72 HE3 MET 11 HE3 MET 11 9.785 12.794 -1.688 73 H ALA 12 H ALA 12 12.281 10.448 -2.879 74 HA ALA 12 HA ALA 12 14.012 11.897 -4.707 75 HB1 ALA 12 HB1 ALA 12 14.127 11.675 -1.699 76 HB2 ALA 12 HB2 ALA 12 13.359 12.975 -2.609 77 HB3 ALA 12 HB3 ALA 12 15.105 12.749 -2.700 78 H GLU 13 H GLU 13 14.837 9.892 -1.895 79 HA GLU 13 HA GLU 13 16.136 7.859 -3.366 80 HB2 GLU 13 HB2 GLU 13 18.474 8.389 -2.607 81 HB3 GLU 13 HB3 GLU 13 17.847 9.449 -3.860 82 HG2 GLU 13 HG2 GLU 13 17.455 11.197 -2.271 83 HG3 GLU 13 HG3 GLU 13 17.865 10.128 -0.929 84 H ASP 14 H ASP 14 16.359 6.117 -2.115 85 HA ASP 14 HA ASP 14 16.499 4.736 -0.323 86 HB2 ASP 14 HB2 ASP 14 17.640 7.190 0.992 87 HB3 ASP 14 HB3 ASP 14 17.645 5.590 1.718 88 H CYS 15 H CYS 15 16.165 7.402 1.838 89 HA CYS 15 HA CYS 15 14.590 8.103 3.270 90 HB2 CYS 15 HB2 CYS 15 12.645 8.549 2.304 91 HB3 CYS 15 HB3 CYS 15 13.243 7.666 0.898 92 HG CYS 15 HG CYS 15 10.517 7.159 2.341 93 H ARG 16 H ARG 16 12.554 7.096 4.596 94 HA ARG 16 HA ARG 16 13.784 4.862 5.921 95 HB2 ARG 16 HB2 ARG 16 11.248 6.360 6.598 96 HB3 ARG 16 HB3 ARG 16 11.994 5.120 7.600 97 HG2 ARG 16 HG2 ARG 16 12.638 7.152 8.555 98 HG3 ARG 16 HG3 ARG 16 14.050 6.607 7.651 99 HD2 ARG 16 HD2 ARG 16 13.692 8.985 7.297 100 HD3 ARG 16 HD3 ARG 16 13.404 8.102 5.795 101 HE ARG 16 HE ARG 16 11.144 8.840 7.530 102 HH11 ARG 16 HH11 ARG 16 12.894 9.243 4.522 103 HH12 ARG 16 HH12 ARG 16 11.526 9.895 3.674 104 HH21 ARG 16 HH21 ARG 16 9.375 9.769 6.426 105 HH22 ARG 16 HH22 ARG 16 9.549 10.206 4.745 106 H GLY 17 H GLY 17 12.734 4.496 3.277 107 HA2 GLY 17 HA2 GLY 17 10.820 2.336 3.872 108 HA3 GLY 17 HA3 GLY 17 10.751 3.292 2.393 109 H ASP 18 H ASP 18 13.743 2.255 3.882 110 HA ASP 18 HA ASP 18 14.052 0.055 2.014 111 HB2 ASP 18 HB2 ASP 18 14.761 2.220 0.845 112 HB3 ASP 18 HB3 ASP 18 16.098 2.277 1.988 113 H ILE 19 H ILE 19 13.944 0.580 4.919 114 HA ILE 19 HA ILE 19 16.606 -0.212 5.807 115 HB ILE 19 HB ILE 19 14.689 -0.106 7.941 116 HG12 ILE 19 HG12 ILE 19 14.807 2.624 7.359 117 HG13 ILE 19 HG13 ILE 19 14.316 1.867 5.854 118 HG21 ILE 19 HG21 ILE 19 17.075 1.590 7.248 119 HG22 ILE 19 HG22 ILE 19 17.088 0.107 8.203 120 HG23 ILE 19 HG23 ILE 19 16.271 1.544 8.817 121 HD11 ILE 19 HD11 ILE 19 12.954 1.545 8.513 122 HD12 ILE 19 HD12 ILE 19 12.471 0.763 7.008 123 HD13 ILE 19 HD13 ILE 19 12.387 2.519 7.158 124 H GLY 20 H GLY 20 13.400 -1.119 6.935 125 HA2 GLY 20 HA2 GLY 20 13.704 -3.879 6.051 126 HA3 GLY 20 HA3 GLY 20 13.625 -3.633 7.797 127 H ARG 21 H ARG 21 12.053 -1.839 5.271 128 HA ARG 21 HA ARG 21 9.648 -1.645 6.719 129 HB2 ARG 21 HB2 ARG 21 8.875 -0.784 4.311 130 HB3 ARG 21 HB3 ARG 21 9.797 0.200 5.441 131 HG2 ARG 21 HG2 ARG 21 10.720 0.374 3.225 132 HG3 ARG 21 HG3 ARG 21 11.855 -0.428 4.302 133 HD2 ARG 21 HD2 ARG 21 11.250 -2.590 3.372 134 HD3 ARG 21 HD3 ARG 21 10.041 -1.826 2.341 135 HE ARG 21 HE ARG 21 12.346 -0.562 1.658 136 HH11 ARG 21 HH11 ARG 21 11.359 -3.913 1.816 137 HH12 ARG 21 HH12 ARG 21 12.448 -4.435 0.573 138 HH21 ARG 21 HH21 ARG 21 13.791 -1.238 0.007 139 HH22 ARG 21 HH22 ARG 21 13.823 -2.908 -0.465 140 H THR 22 H THR 22 7.860 -2.750 6.692 141 HA THR 22 HA THR 22 7.477 -4.800 4.605 142 HB THR 22 HB THR 22 6.189 -6.040 6.436 143 HG1 THR 22 HG1 THR 22 5.938 -4.588 8.051 144 HG21 THR 22 HG21 THR 22 8.404 -6.773 5.708 145 HG22 THR 22 HG22 THR 22 8.218 -6.994 7.450 146 HG23 THR 22 HG23 THR 22 9.158 -5.637 6.828 147 H ASN 23 H ASN 23 6.415 -2.148 6.357 148 HA ASN 23 HA ASN 23 3.612 -2.241 5.996 149 HB2 ASN 23 HB2 ASN 23 4.001 0.356 6.168 150 HB3 ASN 23 HB3 ASN 23 4.225 -0.655 7.592 151 HD21 ASN 23 HD21 ASN 23 5.278 1.982 6.667 152 HD22 ASN 23 HD22 ASN 23 6.996 1.843 6.818 153 H LEU 24 H LEU 24 2.493 -1.925 4.179 154 HA LEU 24 HA LEU 24 3.774 -0.397 2.019 155 HB2 LEU 24 HB2 LEU 24 3.038 -3.091 2.000 156 HB3 LEU 24 HB3 LEU 24 1.778 -2.276 1.098 157 HG LEU 24 HG LEU 24 3.421 -1.365 -0.445 158 HD11 LEU 24 HD11 LEU 24 5.316 -1.063 1.006 159 HD12 LEU 24 HD12 LEU 24 5.767 -2.145 -0.311 160 HD13 LEU 24 HD13 LEU 24 5.423 -2.801 1.287 161 HD21 LEU 24 HD21 LEU 24 2.456 -3.610 -0.789 162 HD22 LEU 24 HD22 LEU 24 3.887 -4.298 -0.023 163 HD23 LEU 24 HD23 LEU 24 4.039 -3.391 -1.529 164 H ILE 25 H ILE 25 2.804 1.451 1.839 165 HA ILE 25 HA ILE 25 0.006 1.819 2.426 166 HB ILE 25 HB ILE 25 1.687 3.606 2.866 167 HG12 ILE 25 HG12 ILE 25 -0.613 4.190 1.008 168 HG13 ILE 25 HG13 ILE 25 -0.600 4.205 2.771 169 HG21 ILE 25 HG21 ILE 25 3.097 3.286 0.906 170 HG22 ILE 25 HG22 ILE 25 2.541 4.958 1.029 171 HG23 ILE 25 HG23 ILE 25 1.792 3.863 -0.134 172 HD11 ILE 25 HD11 ILE 25 -0.634 6.452 1.754 173 HD12 ILE 25 HD12 ILE 25 0.949 6.119 1.050 174 HD13 ILE 25 HD13 ILE 25 0.757 6.169 2.802 175 H VAL 26 H VAL 26 -1.594 1.678 0.989 176 HA VAL 26 HA VAL 26 -0.829 1.391 -1.849 177 HB VAL 26 HB VAL 26 -3.193 0.049 -0.543 178 HG11 VAL 26 HG11 VAL 26 -3.175 -1.308 -2.581 179 HG12 VAL 26 HG12 VAL 26 -1.793 -0.393 -3.182 180 HG13 VAL 26 HG13 VAL 26 -3.348 0.407 -2.962 181 HG21 VAL 26 HG21 VAL 26 -0.460 -1.064 -1.137 182 HG22 VAL 26 HG22 VAL 26 -1.852 -1.995 -0.586 183 HG23 VAL 26 HG23 VAL 26 -1.139 -0.771 0.465 184 H ASN 27 H ASN 27 -1.412 3.166 -2.815 185 HA ASN 27 HA ASN 27 -3.779 4.644 -1.948 186 HB2 ASN 27 HB2 ASN 27 -1.300 5.455 -2.885 187 HB3 ASN 27 HB3 ASN 27 -2.343 5.673 -4.278 188 HD21 ASN 27 HD21 ASN 27 -1.469 6.786 -1.183 189 HD22 ASN 27 HD22 ASN 27 -2.517 8.159 -1.119 190 H TYR 28 H TYR 28 -5.012 5.618 -3.890 191 HA TYR 28 HA TYR 28 -6.336 5.355 -5.741 192 HB2 TYR 28 HB2 TYR 28 -4.072 3.542 -6.626 193 HB3 TYR 28 HB3 TYR 28 -5.317 4.220 -7.671 194 HD1 TYR 28 HD1 TYR 28 -5.389 6.745 -7.974 195 HD2 TYR 28 HD2 TYR 28 -2.155 4.733 -6.106 196 HE1 TYR 28 HE1 TYR 28 -3.956 8.715 -8.343 197 HE2 TYR 28 HE2 TYR 28 -0.697 6.681 -6.455 198 HH TYR 28 HH TYR 28 -0.614 8.631 -8.040 199 H LEU 29 H LEU 29 -6.843 3.710 -3.487 200 HA LEU 29 HA LEU 29 -7.611 1.099 -4.479 201 HB2 LEU 29 HB2 LEU 29 -8.348 2.536 -1.918 202 HB3 LEU 29 HB3 LEU 29 -8.731 0.867 -2.285 203 HG LEU 29 HG LEU 29 -6.029 2.065 -1.733 204 HD11 LEU 29 HD11 LEU 29 -5.972 0.426 0.043 205 HD12 LEU 29 HD12 LEU 29 -7.526 -0.227 -0.471 206 HD13 LEU 29 HD13 LEU 29 -7.430 1.410 0.183 207 HD21 LEU 29 HD21 LEU 29 -6.690 -0.637 -2.880 208 HD22 LEU 29 HD22 LEU 29 -5.137 -0.214 -2.164 209 HD23 LEU 29 HD23 LEU 29 -5.697 0.622 -3.612 210 HA PRO 30 HA PRO 30 -11.598 2.186 -6.136 211 HB2 PRO 30 HB2 PRO 30 -12.568 -0.289 -4.842 212 HB3 PRO 30 HB3 PRO 30 -12.626 0.187 -6.537 213 HG2 PRO 30 HG2 PRO 30 -10.932 -1.697 -5.636 214 HG3 PRO 30 HG3 PRO 30 -10.525 -0.616 -6.977 215 HD2 PRO 30 HD2 PRO 30 -9.583 -0.579 -4.158 216 HD3 PRO 30 HD3 PRO 30 -8.736 -0.093 -5.640 217 H GLN 31 H GLN 31 -13.237 3.350 -5.331 218 HA GLN 31 HA GLN 31 -13.048 4.142 -2.632 219 HB2 GLN 31 HB2 GLN 31 -15.131 4.772 -4.717 220 HB3 GLN 31 HB3 GLN 31 -14.962 5.607 -3.179 221 HG2 GLN 31 HG2 GLN 31 -12.785 5.457 -5.257 222 HG3 GLN 31 HG3 GLN 31 -13.940 6.790 -5.121 223 HE21 GLN 31 HE21 GLN 31 -11.170 5.238 -3.768 224 HE22 GLN 31 HE22 GLN 31 -10.789 6.463 -2.611 225 H ASN 32 H ASN 32 -14.656 1.519 -3.978 226 HA ASN 32 HA ASN 32 -16.529 1.395 -1.714 227 HB2 ASN 32 HB2 ASN 32 -17.917 -0.073 -3.068 228 HB3 ASN 32 HB3 ASN 32 -17.628 1.435 -3.922 229 HD21 ASN 32 HD21 ASN 32 -16.402 1.430 -5.777 230 HD22 ASN 32 HD22 ASN 32 -15.961 -0.026 -6.603 231 H MET 33 H MET 33 -13.577 0.306 -2.446 232 HA MET 33 HA MET 33 -13.955 -2.536 -2.176 233 HB2 MET 33 HB2 MET 33 -11.968 -0.967 -3.207 234 HB3 MET 33 HB3 MET 33 -11.273 -1.471 -1.674 235 HG2 MET 33 HG2 MET 33 -11.678 -3.801 -2.258 236 HG3 MET 33 HG3 MET 33 -12.368 -3.299 -3.790 237 HE1 MET 33 HE1 MET 33 -8.005 -2.179 -2.853 238 HE2 MET 33 HE2 MET 33 -8.927 -3.095 -1.655 239 HE3 MET 33 HE3 MET 33 -9.446 -1.470 -2.118 240 H THR 34 H THR 34 -12.633 -3.736 -0.478 241 HA THR 34 HA THR 34 -13.138 -2.485 2.143 242 HB THR 34 HB THR 34 -13.784 -4.624 3.010 243 HG1 THR 34 HG1 THR 34 -13.803 -6.460 1.509 244 HG21 THR 34 HG21 THR 34 -15.038 -4.330 0.285 245 HG22 THR 34 HG22 THR 34 -15.486 -3.378 1.705 246 HG23 THR 34 HG23 THR 34 -15.746 -5.123 1.696 247 H GLN 35 H GLN 35 -11.836 -3.519 3.946 248 HA GLN 35 HA GLN 35 -9.094 -3.604 3.499 249 HB2 GLN 35 HB2 GLN 35 -10.603 -5.142 5.618 250 HB3 GLN 35 HB3 GLN 35 -8.875 -4.839 5.608 251 HG2 GLN 35 HG2 GLN 35 -9.763 -3.320 7.127 252 HG3 GLN 35 HG3 GLN 35 -9.437 -2.396 5.670 253 HE21 GLN 35 HE21 GLN 35 -12.164 -4.558 5.976 254 HE22 GLN 35 HE22 GLN 35 -13.383 -3.328 6.018 255 H ASP 36 H ASP 36 -11.476 -6.188 3.583 256 HA ASP 36 HA ASP 36 -9.737 -8.375 3.449 257 HB2 ASP 36 HB2 ASP 36 -12.143 -8.524 3.994 258 HB3 ASP 36 HB3 ASP 36 -12.548 -8.114 2.331 259 H GLU 37 H GLU 37 -11.119 -6.392 0.874 260 HA GLU 37 HA GLU 37 -10.133 -8.000 -1.269 261 HB2 GLU 37 HB2 GLU 37 -10.863 -5.069 -1.255 262 HB3 GLU 37 HB3 GLU 37 -10.725 -6.093 -2.676 263 HG2 GLU 37 HG2 GLU 37 -12.670 -6.732 -0.496 264 HG3 GLU 37 HG3 GLU 37 -13.068 -5.566 -1.756 265 H LEU 38 H LEU 38 -9.085 -4.943 0.190 266 HA LEU 38 HA LEU 38 -6.714 -4.569 -1.248 267 HB2 LEU 38 HB2 LEU 38 -7.823 -2.851 0.120 268 HB3 LEU 38 HB3 LEU 38 -7.501 -3.763 1.572 269 HG LEU 38 HG LEU 38 -6.060 -1.674 0.963 270 HD11 LEU 38 HD11 LEU 38 -4.728 -4.205 1.867 271 HD12 LEU 38 HD12 LEU 38 -5.746 -3.179 2.882 272 HD13 LEU 38 HD13 LEU 38 -4.236 -2.548 2.220 273 HD21 LEU 38 HD21 LEU 38 -4.024 -2.253 -0.263 274 HD22 LEU 38 HD22 LEU 38 -5.465 -2.372 -1.273 275 HD23 LEU 38 HD23 LEU 38 -4.714 -3.833 -0.635 276 H ARG 39 H ARG 39 -7.483 -6.442 1.577 277 HA ARG 39 HA ARG 39 -4.816 -7.160 2.277 278 HB2 ARG 39 HB2 ARG 39 -6.940 -7.039 3.735 279 HB3 ARG 39 HB3 ARG 39 -7.349 -8.596 3.061 280 HG2 ARG 39 HG2 ARG 39 -4.779 -8.096 4.508 281 HG3 ARG 39 HG3 ARG 39 -6.259 -8.581 5.325 282 HD2 ARG 39 HD2 ARG 39 -6.362 -10.560 3.845 283 HD3 ARG 39 HD3 ARG 39 -4.788 -10.097 3.189 284 HE ARG 39 HE ARG 39 -4.501 -10.222 5.944 285 HH11 ARG 39 HH11 ARG 39 -5.342 -12.435 3.367 286 HH12 ARG 39 HH12 ARG 39 -4.626 -13.809 4.145 287 HH21 ARG 39 HH21 ARG 39 -3.577 -12.024 6.979 288 HH22 ARG 39 HH22 ARG 39 -3.608 -13.574 6.198 289 H SER 40 H SER 40 -7.454 -8.726 0.468 290 HA SER 40 HA SER 40 -6.164 -11.236 0.188 291 HB2 SER 40 HB2 SER 40 -8.581 -11.018 -0.052 292 HB3 SER 40 HB3 SER 40 -8.369 -9.982 -1.463 293 HG SER 40 HG SER 40 -8.718 -11.977 -2.277 294 H LEU 41 H LEU 41 -6.368 -8.396 -1.907 295 HA LEU 41 HA LEU 41 -5.051 -9.455 -4.142 296 HB2 LEU 41 HB2 LEU 41 -6.381 -7.294 -3.865 297 HB3 LEU 41 HB3 LEU 41 -4.918 -6.610 -3.203 298 HG LEU 41 HG LEU 41 -5.653 -6.458 -5.790 299 HD11 LEU 41 HD11 LEU 41 -3.358 -5.753 -6.241 300 HD12 LEU 41 HD12 LEU 41 -2.853 -6.470 -4.712 301 HD13 LEU 41 HD13 LEU 41 -3.968 -5.105 -4.718 302 HD21 LEU 41 HD21 LEU 41 -3.677 -8.734 -5.629 303 HD22 LEU 41 HD22 LEU 41 -4.171 -7.896 -7.104 304 HD23 LEU 41 HD23 LEU 41 -5.348 -8.843 -6.196 305 H PHE 42 H PHE 42 -3.798 -7.925 -1.230 306 HA PHE 42 HA PHE 42 -1.096 -8.214 -2.167 307 HB2 PHE 42 HB2 PHE 42 -2.317 -7.241 0.398 308 HB3 PHE 42 HB3 PHE 42 -0.572 -7.480 0.233 309 HD1 PHE 42 HD1 PHE 42 -3.450 -5.841 -1.481 310 HD2 PHE 42 HD2 PHE 42 0.734 -5.782 -0.640 311 HE1 PHE 42 HE1 PHE 42 -3.234 -3.715 -2.681 312 HE2 PHE 42 HE2 PHE 42 0.929 -3.638 -1.842 313 HZ PHE 42 HZ PHE 42 -1.045 -2.630 -2.855 314 H SER 43 H SER 43 -3.350 -10.102 -0.383 315 HA SER 43 HA SER 43 -1.470 -11.984 0.627 316 HB2 SER 43 HB2 SER 43 -3.835 -11.766 1.445 317 HB3 SER 43 HB3 SER 43 -4.378 -12.458 -0.082 318 HG SER 43 HG SER 43 -2.755 -14.213 0.586 319 H SER 44 H SER 44 -2.598 -11.207 -2.487 320 HA SER 44 HA SER 44 -2.251 -13.779 -3.691 321 HB2 SER 44 HB2 SER 44 -2.841 -12.766 -5.696 322 HB3 SER 44 HB3 SER 44 -3.586 -11.645 -4.551 323 HG SER 44 HG SER 44 -2.083 -10.175 -4.961 324 H ILE 45 H ILE 45 -0.284 -10.970 -3.074 325 HA ILE 45 HA ILE 45 2.038 -11.831 -4.447 326 HB ILE 45 HB ILE 45 1.592 -9.923 -2.161 327 HG12 ILE 45 HG12 ILE 45 1.000 -9.415 -4.599 328 HG13 ILE 45 HG13 ILE 45 2.011 -8.241 -3.761 329 HG21 ILE 45 HG21 ILE 45 4.247 -10.649 -3.401 330 HG22 ILE 45 HG22 ILE 45 3.770 -10.869 -1.719 331 HG23 ILE 45 HG23 ILE 45 3.976 -9.240 -2.373 332 HD11 ILE 45 HD11 ILE 45 2.764 -8.678 -6.027 333 HD12 ILE 45 HD12 ILE 45 3.005 -10.376 -5.620 334 HD13 ILE 45 HD13 ILE 45 3.973 -9.129 -4.825 335 H GLY 46 H GLY 46 0.906 -12.261 -1.115 336 HA2 GLY 46 HA2 GLY 46 2.169 -14.735 -0.760 337 HA3 GLY 46 HA3 GLY 46 3.247 -13.489 -0.147 338 H GLU 47 H GLU 47 3.028 -13.007 1.930 339 HA GLU 47 HA GLU 47 0.423 -13.548 3.156 340 HB2 GLU 47 HB2 GLU 47 3.161 -14.229 4.114 341 HB3 GLU 47 HB3 GLU 47 1.889 -13.906 5.289 342 HG2 GLU 47 HG2 GLU 47 0.540 -15.659 4.407 343 HG3 GLU 47 HG3 GLU 47 1.651 -15.902 3.066 344 H VAL 48 H VAL 48 -0.516 -12.044 4.120 345 HA VAL 48 HA VAL 48 0.879 -9.485 4.515 346 HB VAL 48 HB VAL 48 -2.042 -10.121 4.105 347 HG11 VAL 48 HG11 VAL 48 -2.335 -7.630 4.094 348 HG12 VAL 48 HG12 VAL 48 -0.720 -7.511 4.800 349 HG13 VAL 48 HG13 VAL 48 -2.008 -8.340 5.674 350 HG21 VAL 48 HG21 VAL 48 -0.687 -10.186 2.092 351 HG22 VAL 48 HG22 VAL 48 -0.079 -8.566 2.440 352 HG23 VAL 48 HG23 VAL 48 -1.787 -8.806 2.069 353 H GLU 49 H GLU 49 1.359 -8.909 6.381 354 HA GLU 49 HA GLU 49 0.747 -10.329 8.698 355 HB2 GLU 49 HB2 GLU 49 2.775 -9.029 8.237 356 HB3 GLU 49 HB3 GLU 49 1.836 -7.558 8.445 357 HG2 GLU 49 HG2 GLU 49 1.844 -9.634 10.572 358 HG3 GLU 49 HG3 GLU 49 3.215 -8.573 10.386 359 H SER 50 H SER 50 -0.261 -7.142 7.500 360 HA SER 50 HA SER 50 -2.912 -7.474 8.562 361 HB2 SER 50 HB2 SER 50 -2.835 -5.431 10.004 362 HB3 SER 50 HB3 SER 50 -1.844 -6.753 10.623 363 HG SER 50 HG SER 50 -0.029 -5.698 10.063 364 H ALA 51 H ALA 51 -4.294 -6.422 7.222 365 HA ALA 51 HA ALA 51 -3.162 -4.211 5.653 366 HB1 ALA 51 HB1 ALA 51 -5.295 -6.109 4.694 367 HB2 ALA 51 HB2 ALA 51 -3.583 -6.212 4.281 368 HB3 ALA 51 HB3 ALA 51 -4.523 -4.809 3.781 369 H LYS 52 H LYS 52 -4.005 -2.343 6.001 370 HA LYS 52 HA LYS 52 -6.651 -2.167 7.255 371 HB2 LYS 52 HB2 LYS 52 -4.744 -1.190 8.484 372 HB3 LYS 52 HB3 LYS 52 -4.385 -0.170 7.096 373 HG2 LYS 52 HG2 LYS 52 -6.785 0.708 7.404 374 HG3 LYS 52 HG3 LYS 52 -6.651 0.010 9.022 375 HD2 LYS 52 HD2 LYS 52 -4.661 1.909 7.824 376 HD3 LYS 52 HD3 LYS 52 -5.978 2.405 8.891 377 HE2 LYS 52 HE2 LYS 52 -3.804 0.441 9.591 378 HE3 LYS 52 HE3 LYS 52 -3.819 2.139 10.062 379 HZ1 LYS 52 HZ1 LYS 52 -5.843 0.112 10.846 380 HZ2 LYS 52 HZ2 LYS 52 -5.837 1.737 11.318 381 HZ3 LYS 52 HZ3 LYS 52 -4.606 0.701 11.837 382 H LEU 53 H LEU 53 -8.267 -1.202 6.181 383 HA LEU 53 HA LEU 53 -7.642 0.209 3.682 384 HB2 LEU 53 HB2 LEU 53 -9.236 -1.576 3.345 385 HB3 LEU 53 HB3 LEU 53 -10.216 -1.015 4.685 386 HG LEU 53 HG LEU 53 -10.158 1.200 3.088 387 HD11 LEU 53 HD11 LEU 53 -10.715 0.360 0.819 388 HD12 LEU 53 HD12 LEU 53 -10.198 -1.253 1.323 389 HD13 LEU 53 HD13 LEU 53 -9.035 0.079 1.283 390 HD21 LEU 53 HD21 LEU 53 -12.453 0.579 2.499 391 HD22 LEU 53 HD22 LEU 53 -12.111 0.248 4.198 392 HD23 LEU 53 HD23 LEU 53 -12.148 -1.074 3.031 393 H ILE 54 H ILE 54 -8.071 2.341 3.543 394 HA ILE 54 HA ILE 54 -9.022 3.591 5.985 395 HB ILE 54 HB ILE 54 -7.982 4.907 3.493 396 HG12 ILE 54 HG12 ILE 54 -6.184 3.626 4.402 397 HG13 ILE 54 HG13 ILE 54 -5.913 5.288 4.899 398 HG21 ILE 54 HG21 ILE 54 -9.428 6.323 4.877 399 HG22 ILE 54 HG22 ILE 54 -7.760 6.895 4.884 400 HG23 ILE 54 HG23 ILE 54 -8.396 6.010 6.271 401 HD11 ILE 54 HD11 ILE 54 -6.798 4.761 7.115 402 HD12 ILE 54 HD12 ILE 54 -5.420 3.738 6.697 403 HD13 ILE 54 HD13 ILE 54 -7.058 3.091 6.607 404 H ARG 55 H ARG 55 -11.048 4.009 6.219 405 HA ARG 55 HA ARG 55 -12.692 4.604 3.873 406 HB2 ARG 55 HB2 ARG 55 -12.846 2.185 4.498 407 HB3 ARG 55 HB3 ARG 55 -13.473 2.682 6.059 408 HG2 ARG 55 HG2 ARG 55 -15.502 3.263 5.219 409 HG3 ARG 55 HG3 ARG 55 -14.854 3.647 3.623 410 HD2 ARG 55 HD2 ARG 55 -16.216 1.628 3.535 411 HD3 ARG 55 HD3 ARG 55 -14.524 1.267 3.177 412 HE ARG 55 HE ARG 55 -14.737 0.809 5.854 413 HH11 ARG 55 HH11 ARG 55 -16.459 -0.365 3.039 414 HH12 ARG 55 HH12 ARG 55 -16.822 -1.908 3.748 415 HH21 ARG 55 HH21 ARG 55 -15.190 -1.225 6.778 416 HH22 ARG 55 HH22 ARG 55 -16.097 -2.395 5.874 417 H ASP 56 H ASP 56 -14.581 5.773 4.354 418 HA ASP 56 HA ASP 56 -13.965 7.845 6.188 419 HB2 ASP 56 HB2 ASP 56 -15.175 8.162 4.018 420 HB3 ASP 56 HB3 ASP 56 -16.585 7.445 4.779 421 H LYS 57 H LYS 57 -14.763 8.378 8.043 422 HA LYS 57 HA LYS 57 -15.608 6.464 9.855 423 HB2 LYS 57 HB2 LYS 57 -15.480 8.205 11.410 424 HB3 LYS 57 HB3 LYS 57 -14.266 8.557 10.208 425 HG2 LYS 57 HG2 LYS 57 -16.957 9.833 10.443 426 HG3 LYS 57 HG3 LYS 57 -15.426 10.564 10.875 427 HD2 LYS 57 HD2 LYS 57 -16.098 9.646 8.069 428 HD3 LYS 57 HD3 LYS 57 -16.419 11.282 8.659 429 HE2 LYS 57 HE2 LYS 57 -13.702 9.963 8.626 430 HE3 LYS 57 HE3 LYS 57 -14.288 11.083 7.400 431 HZ1 LYS 57 HZ1 LYS 57 -14.462 12.792 9.090 432 HZ2 LYS 57 HZ2 LYS 57 -12.885 12.186 9.026 433 HZ3 LYS 57 HZ3 LYS 57 -13.919 11.717 10.277 434 H VAL 58 H VAL 58 -17.443 8.224 7.651 435 HA VAL 58 HA VAL 58 -19.886 7.835 9.231 436 HB VAL 58 HB VAL 58 -19.012 10.288 7.718 437 HG11 VAL 58 HG11 VAL 58 -21.195 11.258 8.257 438 HG12 VAL 58 HG12 VAL 58 -21.735 9.686 8.851 439 HG13 VAL 58 HG13 VAL 58 -21.323 9.893 7.148 440 HG21 VAL 58 HG21 VAL 58 -18.680 9.524 10.319 441 HG22 VAL 58 HG22 VAL 58 -20.100 10.574 10.389 442 HG23 VAL 58 HG23 VAL 58 -18.589 11.175 9.702 443 H ALA 59 H ALA 59 -18.708 8.771 6.034 444 HA ALA 59 HA ALA 59 -21.133 8.007 4.774 445 HB1 ALA 59 HB1 ALA 59 -19.778 9.854 3.958 446 HB2 ALA 59 HB2 ALA 59 -20.046 8.645 2.701 447 HB3 ALA 59 HB3 ALA 59 -18.494 8.721 3.534 448 H GLY 60 H GLY 60 -18.523 6.270 5.792 449 HA2 GLY 60 HA2 GLY 60 -18.002 4.045 5.661 450 HA3 GLY 60 HA3 GLY 60 -19.626 3.820 5.042 451 H HIS 61 H HIS 61 -17.255 5.780 3.352 452 HA HIS 61 HA HIS 61 -16.939 3.561 1.436 453 HB2 HIS 61 HB2 HIS 61 -16.760 5.206 -0.394 454 HB3 HIS 61 HB3 HIS 61 -18.329 5.271 0.391 455 HD1 HIS 61 HD1 HIS 61 -19.116 7.596 0.509 456 HD2 HIS 61 HD2 HIS 61 -14.991 7.354 0.947 457 HE1 HIS 61 HE1 HIS 61 -18.326 9.966 0.797 458 HE2 HIS 61 HE2 HIS 61 -15.816 9.806 0.981 459 H SER 62 H SER 62 -14.920 3.429 0.332 460 HA SER 62 HA SER 62 -12.729 3.887 2.066 461 HB2 SER 62 HB2 SER 62 -12.799 2.005 0.459 462 HB3 SER 62 HB3 SER 62 -12.693 3.151 -0.875 463 HG SER 62 HG SER 62 -10.750 2.481 1.054 464 H LEU 63 H LEU 63 -11.013 5.330 1.881 465 HA LEU 63 HA LEU 63 -11.759 7.806 0.525 466 HB2 LEU 63 HB2 LEU 63 -9.639 7.312 2.614 467 HB3 LEU 63 HB3 LEU 63 -10.115 8.880 1.982 468 HG LEU 63 HG LEU 63 -11.814 7.015 3.641 469 HD11 LEU 63 HD11 LEU 63 -11.784 8.841 5.261 470 HD12 LEU 63 HD12 LEU 63 -10.697 9.753 4.212 471 HD13 LEU 63 HD13 LEU 63 -10.161 8.235 4.932 472 HD21 LEU 63 HD21 LEU 63 -13.239 8.059 2.014 473 HD22 LEU 63 HD22 LEU 63 -12.521 9.637 2.335 474 HD23 LEU 63 HD23 LEU 63 -13.491 8.841 3.574 475 H GLY 64 H GLY 64 -10.003 5.164 -0.214 476 HA2 GLY 64 HA2 GLY 64 -9.120 5.102 -2.430 477 HA3 GLY 64 HA3 GLY 64 -8.602 6.765 -2.236 478 H TYR 65 H TYR 65 -7.810 4.924 0.507 479 HA TYR 65 HA TYR 65 -5.389 3.839 -0.593 480 HB2 TYR 65 HB2 TYR 65 -3.807 5.155 0.655 481 HB3 TYR 65 HB3 TYR 65 -4.807 6.238 -0.297 482 HD1 TYR 65 HD1 TYR 65 -6.849 7.287 0.988 483 HD2 TYR 65 HD2 TYR 65 -3.413 5.611 2.842 484 HE1 TYR 65 HE1 TYR 65 -7.292 8.619 3.000 485 HE2 TYR 65 HE2 TYR 65 -3.847 6.927 4.857 486 HH TYR 65 HH TYR 65 -6.767 8.488 5.462 487 H GLY 66 H GLY 66 -3.999 2.851 1.133 488 HA2 GLY 66 HA2 GLY 66 -5.240 2.231 3.656 489 HA3 GLY 66 HA3 GLY 66 -5.284 0.901 2.513 490 H PHE 67 H PHE 67 -3.984 0.183 4.591 491 HA PHE 67 HA PHE 67 -1.135 0.462 3.922 492 HB2 PHE 67 HB2 PHE 67 -2.297 0.674 6.713 493 HB3 PHE 67 HB3 PHE 67 -0.582 0.583 6.344 494 HD1 PHE 67 HD1 PHE 67 -3.598 2.672 6.090 495 HD2 PHE 67 HD2 PHE 67 0.635 2.505 5.650 496 HE1 PHE 67 HE1 PHE 67 -3.523 5.122 5.938 497 HE2 PHE 67 HE2 PHE 67 0.710 4.961 5.491 498 HZ PHE 67 HZ PHE 67 -1.367 6.271 5.635 499 H VAL 68 H VAL 68 -0.698 -1.591 3.277 500 HA VAL 68 HA VAL 68 -1.528 -3.727 5.084 501 HB VAL 68 HB VAL 68 -2.337 -4.710 3.287 502 HG11 VAL 68 HG11 VAL 68 -0.712 -2.906 1.536 503 HG12 VAL 68 HG12 VAL 68 -2.368 -2.633 2.088 504 HG13 VAL 68 HG13 VAL 68 -2.009 -3.979 1.007 505 HG21 VAL 68 HG21 VAL 68 -0.375 -6.108 3.486 506 HG22 VAL 68 HG22 VAL 68 0.545 -5.010 2.455 507 HG23 VAL 68 HG23 VAL 68 -0.803 -5.927 1.784 508 H ASN 69 H ASN 69 -0.082 -4.199 6.455 509 HA ASN 69 HA ASN 69 2.755 -3.984 5.959 510 HB2 ASN 69 HB2 ASN 69 1.541 -3.563 8.187 511 HB3 ASN 69 HB3 ASN 69 1.410 -5.300 8.299 512 HD21 ASN 69 HD21 ASN 69 2.710 -5.726 9.950 513 HD22 ASN 69 HD22 ASN 69 4.407 -5.355 9.991 514 H TYR 70 H TYR 70 3.924 -5.595 5.096 515 HA TYR 70 HA TYR 70 2.722 -8.231 4.860 516 HB2 TYR 70 HB2 TYR 70 5.080 -6.849 3.654 517 HB3 TYR 70 HB3 TYR 70 5.086 -8.602 3.727 518 HD1 TYR 70 HD1 TYR 70 4.114 -5.796 1.810 519 HD2 TYR 70 HD2 TYR 70 2.984 -9.783 2.779 520 HE1 TYR 70 HE1 TYR 70 2.790 -5.927 -0.254 521 HE2 TYR 70 HE2 TYR 70 1.666 -9.922 0.715 522 HH TYR 70 HH TYR 70 1.976 -7.814 -1.795 523 H VAL 71 H VAL 71 4.057 -10.137 5.304 524 HA VAL 71 HA VAL 71 5.256 -9.969 7.927 525 HB VAL 71 HB VAL 71 5.445 -12.397 7.801 526 HG11 VAL 71 HG11 VAL 71 2.785 -11.368 6.812 527 HG12 VAL 71 HG12 VAL 71 3.318 -11.435 8.494 528 HG13 VAL 71 HG13 VAL 71 3.052 -12.931 7.590 529 HG21 VAL 71 HG21 VAL 71 4.415 -12.114 4.978 530 HG22 VAL 71 HG22 VAL 71 4.663 -13.633 5.839 531 HG23 VAL 71 HG23 VAL 71 6.043 -12.609 5.442 532 H THR 72 H THR 72 6.238 -9.544 4.816 533 HA THR 72 HA THR 72 9.076 -9.972 5.436 534 HB THR 72 HB THR 72 9.167 -10.484 2.865 535 HG1 THR 72 HG1 THR 72 7.238 -11.787 2.324 536 HG21 THR 72 HG21 THR 72 9.104 -12.867 3.274 537 HG22 THR 72 HG22 THR 72 8.242 -12.606 4.797 538 HG23 THR 72 HG23 THR 72 9.905 -12.040 4.615 539 H ALA 73 H ALA 73 10.437 -8.409 4.537 540 HA ALA 73 HA ALA 73 9.206 -6.141 3.209 541 HB1 ALA 73 HB1 ALA 73 11.512 -5.245 3.124 542 HB2 ALA 73 HB2 ALA 73 12.097 -6.741 3.853 543 HB3 ALA 73 HB3 ALA 73 11.007 -5.684 4.754 544 H LYS 74 H LYS 74 10.538 -9.115 2.486 545 HA LYS 74 HA LYS 74 11.451 -8.764 -0.156 546 HB2 LYS 74 HB2 LYS 74 12.119 -10.694 1.000 547 HB3 LYS 74 HB3 LYS 74 10.476 -11.090 1.465 548 HG2 LYS 74 HG2 LYS 74 10.724 -11.036 -1.389 549 HG3 LYS 74 HG3 LYS 74 11.929 -12.111 -0.669 550 HD2 LYS 74 HD2 LYS 74 10.321 -13.449 0.333 551 HD3 LYS 74 HD3 LYS 74 9.077 -12.200 0.236 552 HE2 LYS 74 HE2 LYS 74 9.083 -12.422 -2.206 553 HE3 LYS 74 HE3 LYS 74 10.270 -13.718 -2.076 554 HZ1 LYS 74 HZ1 LYS 74 8.084 -14.649 -2.306 555 HZ2 LYS 74 HZ2 LYS 74 7.502 -13.745 -0.997 556 HZ3 LYS 74 HZ3 LYS 74 8.645 -14.970 -0.745 557 H ASP 75 H ASP 75 8.315 -9.905 1.096 558 HA ASP 75 HA ASP 75 7.157 -9.904 -1.535 559 HB2 ASP 75 HB2 ASP 75 5.948 -10.309 1.203 560 HB3 ASP 75 HB3 ASP 75 5.009 -10.359 -0.285 561 H ALA 76 H ALA 76 7.608 -7.557 0.912 562 HA ALA 76 HA ALA 76 5.550 -5.739 0.250 563 HB1 ALA 76 HB1 ALA 76 8.357 -5.246 1.278 564 HB2 ALA 76 HB2 ALA 76 6.878 -5.376 2.237 565 HB3 ALA 76 HB3 ALA 76 7.111 -4.002 1.154 566 H GLU 77 H GLU 77 8.943 -5.779 -0.829 567 HA GLU 77 HA GLU 77 8.621 -3.974 -2.962 568 HB2 GLU 77 HB2 GLU 77 10.821 -4.486 -2.188 569 HB3 GLU 77 HB3 GLU 77 10.587 -6.209 -2.453 570 HG2 GLU 77 HG2 GLU 77 10.563 -5.874 -4.838 571 HG3 GLU 77 HG3 GLU 77 10.691 -4.131 -4.623 572 H ARG 78 H ARG 78 7.985 -7.393 -2.657 573 HA ARG 78 HA ARG 78 7.798 -8.031 -5.393 574 HB2 ARG 78 HB2 ARG 78 8.006 -9.610 -3.451 575 HB3 ARG 78 HB3 ARG 78 6.320 -9.286 -3.091 576 HG2 ARG 78 HG2 ARG 78 5.647 -10.254 -5.190 577 HG3 ARG 78 HG3 ARG 78 7.336 -10.497 -5.647 578 HD2 ARG 78 HD2 ARG 78 7.646 -11.973 -3.730 579 HD3 ARG 78 HD3 ARG 78 5.971 -11.722 -3.255 580 HE ARG 78 HE ARG 78 6.286 -12.771 -5.914 581 HH11 ARG 78 HH11 ARG 78 5.954 -13.515 -2.506 582 HH12 ARG 78 HH12 ARG 78 5.477 -15.166 -2.788 583 HH21 ARG 78 HH21 ARG 78 5.658 -14.943 -6.284 584 HH22 ARG 78 HH22 ARG 78 5.308 -15.976 -4.936 585 H ALA 79 H ALA 79 5.507 -6.818 -2.997 586 HA ALA 79 HA ALA 79 3.256 -6.888 -4.711 587 HB1 ALA 79 HB1 ALA 79 3.741 -5.139 -2.296 588 HB2 ALA 79 HB2 ALA 79 3.023 -6.744 -2.281 589 HB3 ALA 79 HB3 ALA 79 2.180 -5.411 -3.077 590 H ILE 80 H ILE 80 5.745 -4.493 -4.055 591 HA ILE 80 HA ILE 80 4.512 -2.417 -5.578 592 HB ILE 80 HB ILE 80 7.416 -2.648 -4.966 593 HG12 ILE 80 HG12 ILE 80 5.238 -1.462 -3.251 594 HG13 ILE 80 HG13 ILE 80 6.051 -2.987 -2.920 595 HG21 ILE 80 HG21 ILE 80 6.712 -0.952 -6.560 596 HG22 ILE 80 HG22 ILE 80 7.414 -0.279 -5.079 597 HG23 ILE 80 HG23 ILE 80 5.660 -0.266 -5.308 598 HD11 ILE 80 HD11 ILE 80 8.137 -1.848 -2.619 599 HD12 ILE 80 HD12 ILE 80 6.905 -1.137 -1.575 600 HD13 ILE 80 HD13 ILE 80 7.393 -0.312 -3.056 601 H ASN 81 H ASN 81 6.714 -5.020 -6.447 602 HA ASN 81 HA ASN 81 7.026 -3.761 -9.032 603 HB2 ASN 81 HB2 ASN 81 8.483 -5.692 -9.582 604 HB3 ASN 81 HB3 ASN 81 9.001 -4.763 -8.177 605 HD21 ASN 81 HD21 ASN 81 10.077 -6.163 -7.009 606 HD22 ASN 81 HD22 ASN 81 9.463 -7.664 -6.421 607 H THR 82 H THR 82 5.250 -6.360 -7.580 608 HA THR 82 HA THR 82 4.345 -7.331 -10.144 609 HB THR 82 HB THR 82 4.012 -8.241 -7.325 610 HG1 THR 82 HG1 THR 82 5.844 -8.894 -8.531 611 HG21 THR 82 HG21 THR 82 2.311 -9.042 -9.657 612 HG22 THR 82 HG22 THR 82 1.824 -8.668 -7.993 613 HG23 THR 82 HG23 THR 82 2.659 -10.182 -8.358 614 H LEU 83 H LEU 83 2.738 -6.166 -7.173 615 HA LEU 83 HA LEU 83 0.182 -6.115 -8.446 616 HB2 LEU 83 HB2 LEU 83 1.152 -5.230 -5.773 617 HB3 LEU 83 HB3 LEU 83 -0.511 -5.028 -6.261 618 HG LEU 83 HG LEU 83 0.987 -7.619 -5.860 619 HD11 LEU 83 HD11 LEU 83 0.291 -7.069 -3.778 620 HD12 LEU 83 HD12 LEU 83 -1.210 -7.809 -4.358 621 HD13 LEU 83 HD13 LEU 83 -1.019 -6.048 -4.366 622 HD21 LEU 83 HD21 LEU 83 -1.172 -8.729 -6.389 623 HD22 LEU 83 HD22 LEU 83 -0.409 -7.952 -7.779 624 HD23 LEU 83 HD23 LEU 83 -1.776 -7.179 -6.978 625 H ASN 84 H ASN 84 2.519 -3.667 -7.459 626 HA ASN 84 HA ASN 84 1.101 -1.375 -7.354 627 HB2 ASN 84 HB2 ASN 84 3.627 -1.931 -7.229 628 HB3 ASN 84 HB3 ASN 84 3.648 -1.469 -8.910 629 HD21 ASN 84 HD21 ASN 84 5.162 -0.240 -7.172 630 HD22 ASN 84 HD22 ASN 84 4.616 1.348 -6.837 631 H GLY 85 H GLY 85 -0.478 -0.655 -8.649 632 HA2 GLY 85 HA2 GLY 85 -1.307 0.312 -10.634 633 HA3 GLY 85 HA3 GLY 85 -0.033 -0.486 -11.540 634 H LEU 86 H LEU 86 -2.011 -2.155 -9.193 635 HA LEU 86 HA LEU 86 -2.848 -4.041 -11.226 636 HB2 LEU 86 HB2 LEU 86 -2.183 -4.255 -8.568 637 HB3 LEU 86 HB3 LEU 86 -3.928 -4.306 -8.499 638 HG LEU 86 HG LEU 86 -2.990 -6.546 -8.537 639 HD11 LEU 86 HD11 LEU 86 -4.236 -7.477 -10.420 640 HD12 LEU 86 HD12 LEU 86 -4.393 -5.864 -11.112 641 HD13 LEU 86 HD13 LEU 86 -5.161 -6.240 -9.570 642 HD21 LEU 86 HD21 LEU 86 -1.894 -5.893 -11.261 643 HD22 LEU 86 HD22 LEU 86 -1.689 -7.388 -10.346 644 HD23 LEU 86 HD23 LEU 86 -0.934 -5.897 -9.786 645 H ARG 87 H ARG 87 -4.911 -4.285 -11.983 646 HA ARG 87 HA ARG 87 -6.795 -2.177 -11.420 647 HB2 ARG 87 HB2 ARG 87 -6.894 -4.590 -13.226 648 HB3 ARG 87 HB3 ARG 87 -8.250 -3.489 -13.035 649 HG2 ARG 87 HG2 ARG 87 -5.523 -2.602 -13.919 650 HG3 ARG 87 HG3 ARG 87 -6.797 -3.088 -15.038 651 HD2 ARG 87 HD2 ARG 87 -8.252 -1.332 -14.036 652 HD3 ARG 87 HD3 ARG 87 -6.877 -0.807 -13.067 653 HE ARG 87 HE ARG 87 -5.980 -0.782 -15.661 654 HH11 ARG 87 HH11 ARG 87 -8.617 0.750 -13.933 655 HH12 ARG 87 HH12 ARG 87 -8.601 2.174 -14.924 656 HH21 ARG 87 HH21 ARG 87 -5.966 1.090 -16.967 657 HH22 ARG 87 HH22 ARG 87 -7.098 2.365 -16.651 658 H LEU 88 H LEU 88 -7.266 -2.491 -9.254 659 HA LEU 88 HA LEU 88 -8.545 -4.947 -8.382 660 HB2 LEU 88 HB2 LEU 88 -7.316 -2.631 -7.151 661 HB3 LEU 88 HB3 LEU 88 -8.882 -2.980 -6.442 662 HG LEU 88 HG LEU 88 -6.622 -4.959 -6.679 663 HD11 LEU 88 HD11 LEU 88 -7.646 -3.397 -4.319 664 HD12 LEU 88 HD12 LEU 88 -6.091 -3.178 -5.119 665 HD13 LEU 88 HD13 LEU 88 -6.434 -4.677 -4.257 666 HD21 LEU 88 HD21 LEU 88 -8.764 -6.050 -6.710 667 HD22 LEU 88 HD22 LEU 88 -9.320 -5.085 -5.344 668 HD23 LEU 88 HD23 LEU 88 -8.034 -6.273 -5.121 669 H GLN 89 H GLN 89 -10.625 -5.227 -8.922 670 HA GLN 89 HA GLN 89 -12.770 -4.779 -9.547 671 HB2 GLN 89 HB2 GLN 89 -12.363 -2.519 -7.622 672 HB3 GLN 89 HB3 GLN 89 -13.925 -2.958 -8.293 673 HG2 GLN 89 HG2 GLN 89 -13.624 -5.227 -7.277 674 HG3 GLN 89 HG3 GLN 89 -12.188 -4.595 -6.463 675 HE21 GLN 89 HE21 GLN 89 -13.280 -1.982 -6.054 676 HE22 GLN 89 HE22 GLN 89 -14.481 -2.112 -4.817 677 H SER 90 H SER 90 -10.588 -3.688 -11.040 678 HA SER 90 HA SER 90 -10.428 -2.675 -13.078 679 HB2 SER 90 HB2 SER 90 -13.009 -2.727 -13.026 680 HB3 SER 90 HB3 SER 90 -12.890 -1.032 -12.569 681 HG SER 90 HG SER 90 -11.680 -2.161 -14.880 682 H LYS 91 H LYS 91 -10.446 -1.300 -10.107 683 HA LYS 91 HA LYS 91 -9.587 1.377 -10.925 684 HB2 LYS 91 HB2 LYS 91 -10.957 0.476 -8.757 685 HB3 LYS 91 HB3 LYS 91 -9.332 0.536 -8.129 686 HG2 LYS 91 HG2 LYS 91 -10.685 2.859 -9.423 687 HG3 LYS 91 HG3 LYS 91 -10.682 2.551 -7.691 688 HD2 LYS 91 HD2 LYS 91 -8.159 2.406 -7.896 689 HD3 LYS 91 HD3 LYS 91 -8.381 3.146 -9.475 690 HE2 LYS 91 HE2 LYS 91 -9.617 4.976 -8.363 691 HE3 LYS 91 HE3 LYS 91 -9.215 4.267 -6.809 692 HZ1 LYS 91 HZ1 LYS 91 -7.330 5.332 -8.840 693 HZ2 LYS 91 HZ2 LYS 91 -6.870 4.540 -7.424 694 HZ3 LYS 91 HZ3 LYS 91 -7.687 6.018 -7.335 695 H THR 92 H THR 92 -7.462 2.022 -10.899 696 HA THR 92 HA THR 92 -5.516 -0.111 -10.566 697 HB THR 92 HB THR 92 -4.453 2.482 -11.385 698 HG1 THR 92 HG1 THR 92 -5.564 2.663 -13.280 699 HG21 THR 92 HG21 THR 92 -3.505 1.093 -13.211 700 HG22 THR 92 HG22 THR 92 -4.420 -0.284 -12.597 701 HG23 THR 92 HG23 THR 92 -3.156 0.448 -11.607 702 H ILE 93 H ILE 93 -4.244 -0.295 -8.901 703 HA ILE 93 HA ILE 93 -4.400 1.715 -6.804 704 HB ILE 93 HB ILE 93 -3.506 -0.071 -5.343 705 HG12 ILE 93 HG12 ILE 93 -3.559 -2.426 -6.280 706 HG13 ILE 93 HG13 ILE 93 -3.612 -1.723 -7.886 707 HG21 ILE 93 HG21 ILE 93 -5.546 -1.380 -5.319 708 HG22 ILE 93 HG22 ILE 93 -5.898 -0.891 -6.982 709 HG23 ILE 93 HG23 ILE 93 -5.914 0.306 -5.686 710 HD11 ILE 93 HD11 ILE 93 -1.402 -2.359 -7.478 711 HD12 ILE 93 HD12 ILE 93 -1.426 -1.671 -5.862 712 HD13 ILE 93 HD13 ILE 93 -1.437 -0.605 -7.264 713 H LYS 94 H LYS 94 -2.418 2.147 -5.463 714 HA LYS 94 HA LYS 94 0.096 1.600 -6.887 715 HB2 LYS 94 HB2 LYS 94 -0.408 3.989 -7.227 716 HB3 LYS 94 HB3 LYS 94 -0.504 4.195 -5.489 717 HG2 LYS 94 HG2 LYS 94 1.682 4.441 -5.327 718 HG3 LYS 94 HG3 LYS 94 1.963 2.938 -6.199 719 HD2 LYS 94 HD2 LYS 94 1.296 5.540 -7.520 720 HD3 LYS 94 HD3 LYS 94 2.945 4.975 -7.264 721 HE2 LYS 94 HE2 LYS 94 2.509 3.014 -8.630 722 HE3 LYS 94 HE3 LYS 94 0.829 3.505 -8.835 723 HZ1 LYS 94 HZ1 LYS 94 1.573 5.474 -10.007 724 HZ2 LYS 94 HZ2 LYS 94 2.180 4.086 -10.757 725 HZ3 LYS 94 HZ3 LYS 94 3.191 5.031 -9.788 726 H VAL 95 H VAL 95 1.224 0.286 -5.641 727 HA VAL 95 HA VAL 95 0.941 0.558 -2.747 728 HB VAL 95 HB VAL 95 1.002 -1.642 -2.524 729 HG11 VAL 95 HG11 VAL 95 0.360 -2.988 -4.499 730 HG12 VAL 95 HG12 VAL 95 0.709 -1.587 -5.513 731 HG13 VAL 95 HG13 VAL 95 -0.580 -1.501 -4.313 732 HG21 VAL 95 HG21 VAL 95 2.600 -3.123 -3.733 733 HG22 VAL 95 HG22 VAL 95 3.334 -1.840 -2.770 734 HG23 VAL 95 HG23 VAL 95 3.224 -1.675 -4.522 735 H SER 96 H SER 96 2.643 0.952 -1.486 736 HA SER 96 HA SER 96 5.368 0.860 -2.385 737 HB2 SER 96 HB2 SER 96 4.062 3.532 -1.761 738 HB3 SER 96 HB3 SER 96 5.794 3.277 -1.973 739 HG SER 96 HG SER 96 4.349 2.284 -4.057 740 H TYR 97 H TYR 97 6.793 1.658 -0.521 741 HA TYR 97 HA TYR 97 5.918 0.589 1.965 742 HB2 TYR 97 HB2 TYR 97 8.111 2.630 1.805 743 HB3 TYR 97 HB3 TYR 97 8.019 1.165 2.779 744 HD1 TYR 97 HD1 TYR 97 8.085 -1.085 1.454 745 HD2 TYR 97 HD2 TYR 97 9.403 2.653 -0.095 746 HE1 TYR 97 HE1 TYR 97 9.473 -2.268 -0.199 747 HE2 TYR 97 HE2 TYR 97 10.796 1.495 -1.749 748 HH TYR 97 HH TYR 97 11.889 -0.700 -2.004 749 H ALA 98 H ALA 98 4.632 1.478 3.409 750 HA ALA 98 HA ALA 98 3.621 4.119 3.065 751 HB1 ALA 98 HB1 ALA 98 2.349 2.179 4.050 752 HB2 ALA 98 HB2 ALA 98 2.239 3.689 4.950 753 HB3 ALA 98 HB3 ALA 98 3.300 2.399 5.520 754 H ARG 99 H ARG 99 5.261 5.556 3.195 755 HA ARG 99 HA ARG 99 7.558 5.577 4.567 756 HB2 ARG 99 HB2 ARG 99 7.414 8.097 4.540 757 HB3 ARG 99 HB3 ARG 99 7.147 7.298 2.997 758 HG2 ARG 99 HG2 ARG 99 4.829 7.704 3.067 759 HG3 ARG 99 HG3 ARG 99 4.877 8.130 4.779 760 HD2 ARG 99 HD2 ARG 99 6.142 9.699 2.536 761 HD3 ARG 99 HD3 ARG 99 4.631 10.104 3.348 762 HE ARG 99 HE ARG 99 6.494 9.905 5.349 763 HH11 ARG 99 HH11 ARG 99 6.063 11.870 2.476 764 HH12 ARG 99 HH12 ARG 99 6.987 13.203 3.109 765 HH21 ARG 99 HH21 ARG 99 7.705 11.641 6.178 766 HH22 ARG 99 HH22 ARG 99 7.927 13.071 5.210 767 HA PRO 100 HA PRO 100 6.176 5.941 8.856 768 HB2 PRO 100 HB2 PRO 100 8.823 4.968 9.505 769 HB3 PRO 100 HB3 PRO 100 7.268 4.196 9.794 770 HG2 PRO 100 HG2 PRO 100 9.067 3.223 8.010 771 HG3 PRO 100 HG3 PRO 100 7.311 3.033 7.815 772 HD2 PRO 100 HD2 PRO 100 9.157 5.022 6.531 773 HD3 PRO 100 HD3 PRO 100 7.834 4.081 5.807 774 H SER 101 H SER 101 6.218 8.024 9.322 775 HA SER 101 HA SER 101 6.881 10.110 9.859 776 HB2 SER 101 HB2 SER 101 7.914 8.902 11.704 777 HB3 SER 101 HB3 SER 101 9.366 8.651 10.744 778 HG SER 101 HG SER 101 9.804 10.409 11.960 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 8.953 12.639 -13.167 2 H2 GLY 1 H2 GLY 1 8.595 13.378 -14.644 3 H3 GLY 1 H3 GLY 1 9.980 13.831 -13.783 4 HA2 GLY 1 HA2 GLY 1 9.496 11.157 -14.969 5 HA3 GLY 1 HA3 GLY 1 10.524 12.400 -15.669 6 H HIS 2 H HIS 2 11.838 10.204 -15.347 7 HA HIS 2 HA HIS 2 13.740 9.327 -14.465 8 HB2 HIS 2 HB2 HIS 2 14.388 11.761 -14.493 9 HB3 HIS 2 HB3 HIS 2 13.872 11.867 -12.819 10 HD1 HIS 2 HD1 HIS 2 15.536 11.188 -11.064 11 HD2 HIS 2 HD2 HIS 2 16.729 10.119 -14.895 12 HE1 HIS 2 HE1 HIS 2 17.916 10.422 -10.839 13 HE2 HIS 2 HE2 HIS 2 18.649 9.862 -13.180 14 H MET 3 H MET 3 11.097 8.918 -13.163 15 HA MET 3 HA MET 3 12.043 7.580 -10.808 16 HB2 MET 3 HB2 MET 3 11.797 9.803 -9.860 17 HB3 MET 3 HB3 MET 3 10.164 9.928 -10.493 18 HG2 MET 3 HG2 MET 3 10.190 9.461 -8.100 19 HG3 MET 3 HG3 MET 3 9.415 8.171 -9.014 20 HE1 MET 3 HE1 MET 3 13.687 7.863 -7.276 21 HE2 MET 3 HE2 MET 3 12.682 9.308 -7.169 22 HE3 MET 3 HE3 MET 3 13.318 8.789 -8.728 23 H SER 4 H SER 4 9.250 8.741 -12.617 24 HA SER 4 HA SER 4 7.455 7.674 -13.487 25 HB2 SER 4 HB2 SER 4 8.610 5.127 -12.335 26 HB3 SER 4 HB3 SER 4 7.305 5.238 -13.517 27 HG SER 4 HG SER 4 9.428 6.650 -14.366 28 H ASN 5 H ASN 5 8.259 6.457 -10.240 29 HA ASN 5 HA ASN 5 5.555 6.251 -9.386 30 HB2 ASN 5 HB2 ASN 5 7.242 5.017 -8.182 31 HB3 ASN 5 HB3 ASN 5 8.147 6.485 -7.839 32 HD21 ASN 5 HD21 ASN 5 7.474 7.841 -6.193 33 HD22 ASN 5 HD22 ASN 5 6.285 7.372 -5.027 34 H GLY 6 H GLY 6 4.398 8.089 -9.753 35 HA2 GLY 6 HA2 GLY 6 5.359 10.607 -8.606 36 HA3 GLY 6 HA3 GLY 6 3.952 10.409 -9.645 37 H TYR 7 H TYR 7 4.938 8.790 -6.654 38 HA TYR 7 HA TYR 7 2.367 9.608 -5.477 39 HB2 TYR 7 HB2 TYR 7 3.711 6.912 -5.237 40 HB3 TYR 7 HB3 TYR 7 2.256 7.400 -4.381 41 HD1 TYR 7 HD1 TYR 7 3.597 6.035 -7.414 42 HD2 TYR 7 HD2 TYR 7 0.170 7.939 -5.743 43 HE1 TYR 7 HE1 TYR 7 2.235 5.220 -9.289 44 HE2 TYR 7 HE2 TYR 7 -1.196 7.125 -7.618 45 HH TYR 7 HH TYR 7 -0.146 4.726 -9.746 46 H GLU 8 H GLU 8 5.497 10.146 -5.241 47 HA GLU 8 HA GLU 8 6.943 10.807 -3.622 48 HB2 GLU 8 HB2 GLU 8 4.325 11.251 -2.199 49 HB3 GLU 8 HB3 GLU 8 5.870 11.660 -1.468 50 HG2 GLU 8 HG2 GLU 8 4.798 13.599 -2.473 51 HG3 GLU 8 HG3 GLU 8 6.345 13.234 -3.225 52 H ASP 9 H ASP 9 6.858 10.500 -0.845 53 HA ASP 9 HA ASP 9 7.306 9.094 0.867 54 HB2 ASP 9 HB2 ASP 9 5.859 7.078 -0.844 55 HB3 ASP 9 HB3 ASP 9 6.558 6.668 0.718 56 H HIS 10 H HIS 10 8.593 8.975 -2.075 57 HA HIS 10 HA HIS 10 11.142 8.389 -1.334 58 HB2 HIS 10 HB2 HIS 10 11.610 6.137 -2.103 59 HB3 HIS 10 HB3 HIS 10 10.385 6.070 -0.868 60 HD1 HIS 10 HD1 HIS 10 7.866 6.542 -2.665 61 HD2 HIS 10 HD2 HIS 10 10.983 3.934 -3.508 62 HE1 HIS 10 HE1 HIS 10 6.897 4.813 -4.217 63 HE2 HIS 10 HE2 HIS 10 8.819 3.272 -4.759 64 H MET 11 H MET 11 11.547 10.048 -2.661 65 HA MET 11 HA MET 11 11.677 9.465 -5.478 66 HB2 MET 11 HB2 MET 11 10.589 11.918 -5.742 67 HB3 MET 11 HB3 MET 11 9.683 10.423 -5.890 68 HG2 MET 11 HG2 MET 11 8.470 11.950 -4.504 69 HG3 MET 11 HG3 MET 11 9.044 10.606 -3.520 70 HE1 MET 11 HE1 MET 11 8.016 12.663 -1.826 71 HE2 MET 11 HE2 MET 11 9.328 13.229 -0.787 72 HE3 MET 11 HE3 MET 11 9.143 11.506 -1.111 73 H ALA 12 H ALA 12 12.210 11.819 -2.901 74 HA ALA 12 HA ALA 12 14.201 13.224 -4.461 75 HB1 ALA 12 HB1 ALA 12 14.355 14.713 -2.551 76 HB2 ALA 12 HB2 ALA 12 13.369 13.613 -1.588 77 HB3 ALA 12 HB3 ALA 12 12.666 14.440 -2.977 78 H GLU 13 H GLU 13 14.081 11.061 -1.689 79 HA GLU 13 HA GLU 13 16.774 10.176 -2.088 80 HB2 GLU 13 HB2 GLU 13 17.529 10.842 0.238 81 HB3 GLU 13 HB3 GLU 13 17.418 12.161 -0.919 82 HG2 GLU 13 HG2 GLU 13 15.352 12.906 0.036 83 HG3 GLU 13 HG3 GLU 13 15.276 11.492 1.085 84 H ASP 14 H ASP 14 14.656 8.717 -2.283 85 HA ASP 14 HA ASP 14 13.183 7.204 -1.494 86 HB2 ASP 14 HB2 ASP 14 15.462 6.779 0.430 87 HB3 ASP 14 HB3 ASP 14 13.979 5.835 0.535 88 H CYS 15 H CYS 15 13.966 7.279 1.787 89 HA CYS 15 HA CYS 15 12.754 9.328 3.027 90 HB2 CYS 15 HB2 CYS 15 10.720 7.665 1.668 91 HB3 CYS 15 HB3 CYS 15 10.401 8.040 3.361 92 HG CYS 15 HG CYS 15 9.026 10.066 2.456 93 H ARG 16 H ARG 16 11.099 8.067 4.949 94 HA ARG 16 HA ARG 16 12.876 6.195 6.212 95 HB2 ARG 16 HB2 ARG 16 10.071 7.097 6.888 96 HB3 ARG 16 HB3 ARG 16 10.951 5.903 7.833 97 HG2 ARG 16 HG2 ARG 16 11.182 7.981 8.928 98 HG3 ARG 16 HG3 ARG 16 12.735 7.609 8.186 99 HD2 ARG 16 HD2 ARG 16 12.258 9.930 7.822 100 HD3 ARG 16 HD3 ARG 16 12.099 9.086 6.281 101 HE ARG 16 HE ARG 16 9.644 9.130 6.713 102 HH11 ARG 16 HH11 ARG 16 11.736 11.509 8.218 103 HH12 ARG 16 HH12 ARG 16 10.496 12.716 8.324 104 HH21 ARG 16 HH21 ARG 16 8.016 10.737 6.839 105 HH22 ARG 16 HH22 ARG 16 8.388 12.283 7.531 106 H GLY 17 H GLY 17 12.582 5.162 3.867 107 HA2 GLY 17 HA2 GLY 17 10.691 2.944 4.208 108 HA3 GLY 17 HA3 GLY 17 10.707 3.850 2.699 109 H ASP 18 H ASP 18 13.528 3.032 4.632 110 HA ASP 18 HA ASP 18 14.166 0.765 2.934 111 HB2 ASP 18 HB2 ASP 18 15.057 2.821 1.760 112 HB3 ASP 18 HB3 ASP 18 16.129 3.053 3.137 113 H ILE 19 H ILE 19 13.597 1.531 5.761 114 HA ILE 19 HA ILE 19 16.067 0.787 7.108 115 HB ILE 19 HB ILE 19 13.876 1.014 8.929 116 HG12 ILE 19 HG12 ILE 19 13.968 3.688 8.180 117 HG13 ILE 19 HG13 ILE 19 13.781 2.831 6.661 118 HG21 ILE 19 HG21 ILE 19 16.297 2.730 8.417 119 HG22 ILE 19 HG22 ILE 19 16.208 1.338 9.496 120 HG23 ILE 19 HG23 ILE 19 15.288 2.797 9.860 121 HD11 ILE 19 HD11 ILE 19 11.633 3.470 7.575 122 HD12 ILE 19 HD12 ILE 19 11.978 2.564 9.048 123 HD13 ILE 19 HD13 ILE 19 11.800 1.717 7.510 124 H GLY 20 H GLY 20 12.746 -0.073 7.880 125 HA2 GLY 20 HA2 GLY 20 13.188 -2.879 7.171 126 HA3 GLY 20 HA3 GLY 20 12.778 -2.523 8.851 127 H ARG 21 H ARG 21 11.730 -1.015 5.882 128 HA ARG 21 HA ARG 21 9.103 -0.661 6.847 129 HB2 ARG 21 HB2 ARG 21 8.830 -0.073 4.243 130 HB3 ARG 21 HB3 ARG 21 9.488 1.031 5.439 131 HG2 ARG 21 HG2 ARG 21 10.901 1.071 3.537 132 HG3 ARG 21 HG3 ARG 21 11.755 0.251 4.837 133 HD2 ARG 21 HD2 ARG 21 11.373 -1.885 3.829 134 HD3 ARG 21 HD3 ARG 21 10.276 -1.186 2.639 135 HE ARG 21 HE ARG 21 12.698 0.109 2.313 136 HH11 ARG 21 HH11 ARG 21 11.466 -3.149 2.009 137 HH12 ARG 21 HH12 ARG 21 12.644 -3.626 0.831 138 HH21 ARG 21 HH21 ARG 21 14.269 -0.514 0.765 139 HH22 ARG 21 HH22 ARG 21 14.233 -2.125 0.121 140 H THR 22 H THR 22 8.023 -2.504 7.229 141 HA THR 22 HA THR 22 7.513 -4.290 4.960 142 HB THR 22 HB THR 22 6.452 -5.766 6.632 143 HG1 THR 22 HG1 THR 22 5.670 -4.278 8.123 144 HG21 THR 22 HG21 THR 22 8.445 -6.348 7.919 145 HG22 THR 22 HG22 THR 22 9.160 -4.780 7.542 146 HG23 THR 22 HG23 THR 22 8.877 -5.952 6.253 147 H ASN 23 H ASN 23 6.216 -1.720 6.765 148 HA ASN 23 HA ASN 23 3.420 -2.279 6.336 149 HB2 ASN 23 HB2 ASN 23 4.552 -0.890 8.229 150 HB3 ASN 23 HB3 ASN 23 4.551 0.412 7.037 151 HD21 ASN 23 HD21 ASN 23 3.119 0.054 9.600 152 HD22 ASN 23 HD22 ASN 23 1.448 0.279 9.222 153 H LEU 24 H LEU 24 2.196 -1.614 4.679 154 HA LEU 24 HA LEU 24 3.400 0.257 2.758 155 HB2 LEU 24 HB2 LEU 24 2.730 -2.468 2.381 156 HB3 LEU 24 HB3 LEU 24 1.561 -1.524 1.482 157 HG LEU 24 HG LEU 24 3.294 -0.484 0.182 158 HD11 LEU 24 HD11 LEU 24 5.662 -1.201 0.483 159 HD12 LEU 24 HD12 LEU 24 5.187 -1.940 2.014 160 HD13 LEU 24 HD13 LEU 24 5.035 -0.199 1.787 161 HD21 LEU 24 HD21 LEU 24 3.798 -3.434 0.434 162 HD22 LEU 24 HD22 LEU 24 4.184 -2.415 -0.954 163 HD23 LEU 24 HD23 LEU 24 2.504 -2.688 -0.498 164 H ILE 25 H ILE 25 2.299 2.037 2.787 165 HA ILE 25 HA ILE 25 -0.519 2.115 3.386 166 HB ILE 25 HB ILE 25 0.998 3.968 4.072 167 HG12 ILE 25 HG12 ILE 25 -1.317 4.577 2.247 168 HG13 ILE 25 HG13 ILE 25 -1.325 4.366 3.997 169 HG21 ILE 25 HG21 ILE 25 1.124 4.600 1.132 170 HG22 ILE 25 HG22 ILE 25 2.460 4.014 2.128 171 HG23 ILE 25 HG23 ILE 25 1.755 5.605 2.439 172 HD11 ILE 25 HD11 ILE 25 -1.562 6.703 3.340 173 HD12 ILE 25 HD12 ILE 25 0.006 6.626 2.533 174 HD13 ILE 25 HD13 ILE 25 -0.096 6.419 4.281 175 H VAL 26 H VAL 26 -2.067 1.865 1.917 176 HA VAL 26 HA VAL 26 -1.278 2.108 -0.917 177 HB VAL 26 HB VAL 26 -3.504 0.359 0.119 178 HG11 VAL 26 HG11 VAL 26 -3.308 -0.680 -2.087 179 HG12 VAL 26 HG12 VAL 26 -2.005 0.432 -2.502 180 HG13 VAL 26 HG13 VAL 26 -3.633 1.047 -2.237 181 HG21 VAL 26 HG21 VAL 26 -1.962 -1.515 -0.147 182 HG22 VAL 26 HG22 VAL 26 -1.372 -0.374 1.065 183 HG23 VAL 26 HG23 VAL 26 -0.665 -0.391 -0.552 184 H ASN 27 H ASN 27 -1.986 4.002 -1.526 185 HA ASN 27 HA ASN 27 -4.494 5.088 -0.500 186 HB2 ASN 27 HB2 ASN 27 -2.097 6.289 -0.995 187 HB3 ASN 27 HB3 ASN 27 -2.958 6.639 -2.485 188 HD21 ASN 27 HD21 ASN 27 -2.505 7.465 0.737 189 HD22 ASN 27 HD22 ASN 27 -3.764 8.635 0.888 190 H TYR 28 H TYR 28 -5.601 6.471 -2.304 191 HA TYR 28 HA TYR 28 -7.041 6.409 -4.050 192 HB2 TYR 28 HB2 TYR 28 -4.683 5.153 -5.462 193 HB3 TYR 28 HB3 TYR 28 -6.051 5.944 -6.237 194 HD1 TYR 28 HD1 TYR 28 -2.858 6.380 -4.674 195 HD2 TYR 28 HD2 TYR 28 -6.362 8.441 -5.885 196 HE1 TYR 28 HE1 TYR 28 -1.639 8.500 -4.504 197 HE2 TYR 28 HE2 TYR 28 -5.157 10.581 -5.733 198 HH TYR 28 HH TYR 28 -1.811 10.802 -5.505 199 H LEU 29 H LEU 29 -7.250 4.221 -2.280 200 HA LEU 29 HA LEU 29 -7.753 1.824 -3.799 201 HB2 LEU 29 HB2 LEU 29 -8.666 2.676 -1.043 202 HB3 LEU 29 HB3 LEU 29 -8.953 1.093 -1.735 203 HG LEU 29 HG LEU 29 -6.318 2.297 -0.925 204 HD11 LEU 29 HD11 LEU 29 -7.653 1.292 0.853 205 HD12 LEU 29 HD12 LEU 29 -6.205 0.343 0.522 206 HD13 LEU 29 HD13 LEU 29 -7.772 -0.202 -0.077 207 HD21 LEU 29 HD21 LEU 29 -5.873 1.221 -2.994 208 HD22 LEU 29 HD22 LEU 29 -6.876 -0.162 -2.561 209 HD23 LEU 29 HD23 LEU 29 -5.355 0.121 -1.716 210 HA PRO 30 HA PRO 30 -11.694 2.811 -5.502 211 HB2 PRO 30 HB2 PRO 30 -12.663 0.175 -4.637 212 HB3 PRO 30 HB3 PRO 30 -12.543 0.844 -6.259 213 HG2 PRO 30 HG2 PRO 30 -10.881 -1.084 -5.237 214 HG3 PRO 30 HG3 PRO 30 -10.481 -0.023 -6.587 215 HD2 PRO 30 HD2 PRO 30 -9.453 -0.026 -3.848 216 HD3 PRO 30 HD3 PRO 30 -8.781 0.741 -5.298 217 H GLN 31 H GLN 31 -13.489 3.754 -4.666 218 HA GLN 31 HA GLN 31 -13.637 4.164 -1.888 219 HB2 GLN 31 HB2 GLN 31 -15.666 4.782 -4.033 220 HB3 GLN 31 HB3 GLN 31 -15.696 5.425 -2.396 221 HG2 GLN 31 HG2 GLN 31 -13.462 5.859 -4.357 222 HG3 GLN 31 HG3 GLN 31 -14.782 6.993 -4.073 223 HE21 GLN 31 HE21 GLN 31 -11.871 5.601 -2.827 224 HE22 GLN 31 HE22 GLN 31 -11.659 6.697 -1.506 225 H ASN 32 H ASN 32 -14.792 1.597 -3.737 226 HA ASN 32 HA ASN 32 -16.724 0.861 -1.647 227 HB2 ASN 32 HB2 ASN 32 -17.978 -0.354 -3.334 228 HB3 ASN 32 HB3 ASN 32 -17.786 1.319 -3.833 229 HD21 ASN 32 HD21 ASN 32 -18.324 -1.078 -5.403 230 HD22 ASN 32 HD22 ASN 32 -17.059 -1.171 -6.583 231 H MET 33 H MET 33 -13.689 0.228 -2.239 232 HA MET 33 HA MET 33 -13.814 -2.654 -2.572 233 HB2 MET 33 HB2 MET 33 -11.923 -0.818 -3.232 234 HB3 MET 33 HB3 MET 33 -11.273 -1.439 -1.722 235 HG2 MET 33 HG2 MET 33 -11.419 -3.715 -2.618 236 HG3 MET 33 HG3 MET 33 -12.033 -3.071 -4.128 237 HE1 MET 33 HE1 MET 33 -7.854 -1.840 -2.639 238 HE2 MET 33 HE2 MET 33 -8.883 -2.893 -1.657 239 HE3 MET 33 HE3 MET 33 -9.384 -1.231 -2.000 240 H THR 34 H THR 34 -12.542 -4.039 -0.997 241 HA THR 34 HA THR 34 -13.342 -3.284 1.734 242 HB THR 34 HB THR 34 -13.751 -5.602 2.204 243 HG1 THR 34 HG1 THR 34 -13.421 -7.071 0.237 244 HG21 THR 34 HG21 THR 34 -15.495 -4.400 0.889 245 HG22 THR 34 HG22 THR 34 -15.502 -6.146 0.639 246 HG23 THR 34 HG23 THR 34 -14.793 -5.085 -0.582 247 H GLN 35 H GLN 35 -12.028 -4.269 3.502 248 HA GLN 35 HA GLN 35 -9.273 -4.060 3.297 249 HB2 GLN 35 HB2 GLN 35 -10.780 -5.988 5.060 250 HB3 GLN 35 HB3 GLN 35 -9.092 -5.548 5.246 251 HG2 GLN 35 HG2 GLN 35 -10.255 -4.342 6.864 252 HG3 GLN 35 HG3 GLN 35 -9.881 -3.194 5.589 253 HE21 GLN 35 HE21 GLN 35 -12.428 -5.558 5.255 254 HE22 GLN 35 HE22 GLN 35 -13.746 -4.436 5.353 255 H ASP 36 H ASP 36 -11.347 -6.875 2.930 256 HA ASP 36 HA ASP 36 -9.378 -8.829 2.594 257 HB2 ASP 36 HB2 ASP 36 -11.709 -9.388 2.997 258 HB3 ASP 36 HB3 ASP 36 -12.183 -8.659 1.471 259 H GLU 37 H GLU 37 -10.924 -6.718 0.181 260 HA GLU 37 HA GLU 37 -9.650 -7.918 -2.059 261 HB2 GLU 37 HB2 GLU 37 -10.710 -5.114 -1.695 262 HB3 GLU 37 HB3 GLU 37 -10.269 -5.833 -3.238 263 HG2 GLU 37 HG2 GLU 37 -12.432 -6.862 -1.419 264 HG3 GLU 37 HG3 GLU 37 -12.707 -5.817 -2.810 265 H LEU 38 H LEU 38 -8.960 -5.036 -0.135 266 HA LEU 38 HA LEU 38 -6.560 -4.274 -1.355 267 HB2 LEU 38 HB2 LEU 38 -7.879 -2.850 0.131 268 HB3 LEU 38 HB3 LEU 38 -7.601 -3.920 1.474 269 HG LEU 38 HG LEU 38 -6.290 -1.678 1.276 270 HD11 LEU 38 HD11 LEU 38 -4.820 -4.213 1.933 271 HD12 LEU 38 HD12 LEU 38 -5.981 -3.412 2.997 272 HD13 LEU 38 HD13 LEU 38 -4.484 -2.592 2.544 273 HD21 LEU 38 HD21 LEU 38 -4.655 -3.487 -0.482 274 HD22 LEU 38 HD22 LEU 38 -4.133 -1.923 0.151 275 HD23 LEU 38 HD23 LEU 38 -5.485 -2.012 -0.980 276 H ARG 39 H ARG 39 -7.315 -6.649 1.060 277 HA ARG 39 HA ARG 39 -4.608 -7.178 1.841 278 HB2 ARG 39 HB2 ARG 39 -6.775 -7.379 3.218 279 HB3 ARG 39 HB3 ARG 39 -7.023 -8.892 2.387 280 HG2 ARG 39 HG2 ARG 39 -4.569 -8.300 3.997 281 HG3 ARG 39 HG3 ARG 39 -6.018 -9.027 4.674 282 HD2 ARG 39 HD2 ARG 39 -5.840 -10.840 3.020 283 HD3 ARG 39 HD3 ARG 39 -4.323 -10.137 2.453 284 HE ARG 39 HE ARG 39 -4.118 -10.542 5.217 285 HH11 ARG 39 HH11 ARG 39 -4.425 -12.454 2.303 286 HH12 ARG 39 HH12 ARG 39 -3.490 -13.779 2.921 287 HH21 ARG 39 HH21 ARG 39 -2.902 -12.301 6.041 288 HH22 ARG 39 HH22 ARG 39 -2.633 -13.695 5.040 289 H SER 40 H SER 40 -7.006 -8.710 -0.303 290 HA SER 40 HA SER 40 -5.429 -11.068 -0.713 291 HB2 SER 40 HB2 SER 40 -7.803 -10.020 -2.267 292 HB3 SER 40 HB3 SER 40 -7.107 -11.632 -2.434 293 HG SER 40 HG SER 40 -8.639 -10.541 -0.368 294 H LEU 41 H LEU 41 -5.890 -8.057 -2.484 295 HA LEU 41 HA LEU 41 -4.456 -8.772 -4.805 296 HB2 LEU 41 HB2 LEU 41 -6.014 -6.819 -4.435 297 HB3 LEU 41 HB3 LEU 41 -4.718 -6.056 -3.546 298 HG LEU 41 HG LEU 41 -5.225 -5.589 -6.121 299 HD11 LEU 41 HD11 LEU 41 -3.693 -4.349 -4.697 300 HD12 LEU 41 HD12 LEU 41 -2.988 -4.662 -6.283 301 HD13 LEU 41 HD13 LEU 41 -2.487 -5.621 -4.890 302 HD21 LEU 41 HD21 LEU 41 -3.564 -6.724 -7.519 303 HD22 LEU 41 HD22 LEU 41 -4.732 -7.864 -6.850 304 HD23 LEU 41 HD23 LEU 41 -3.112 -7.746 -6.151 305 H PHE 42 H PHE 42 -3.450 -7.480 -1.699 306 HA PHE 42 HA PHE 42 -0.702 -7.418 -2.537 307 HB2 PHE 42 HB2 PHE 42 -2.103 -6.880 0.065 308 HB3 PHE 42 HB3 PHE 42 -0.340 -6.961 -0.036 309 HD1 PHE 42 HD1 PHE 42 0.853 -5.066 -0.599 310 HD2 PHE 42 HD2 PHE 42 -3.258 -5.340 -1.701 311 HE1 PHE 42 HE1 PHE 42 0.933 -2.781 -1.515 312 HE2 PHE 42 HE2 PHE 42 -3.163 -3.063 -2.606 313 HZ PHE 42 HZ PHE 42 -1.065 -1.798 -2.515 314 H SER 43 H SER 43 -2.851 -9.661 -1.027 315 HA SER 43 HA SER 43 -0.876 -11.498 -0.153 316 HB2 SER 43 HB2 SER 43 -3.322 -11.479 0.523 317 HB3 SER 43 HB3 SER 43 -3.685 -12.173 -1.054 318 HG SER 43 HG SER 43 -1.689 -13.523 0.209 319 H SER 44 H SER 44 -1.850 -10.464 -3.213 320 HA SER 44 HA SER 44 -1.282 -12.854 -4.680 321 HB2 SER 44 HB2 SER 44 -1.735 -11.615 -6.600 322 HB3 SER 44 HB3 SER 44 -2.676 -10.722 -5.397 323 HG SER 44 HG SER 44 -1.321 -9.089 -5.506 324 H ILE 45 H ILE 45 0.451 -9.944 -3.750 325 HA ILE 45 HA ILE 45 2.929 -10.556 -4.969 326 HB ILE 45 HB ILE 45 2.184 -8.846 -2.602 327 HG12 ILE 45 HG12 ILE 45 1.664 -8.231 -5.037 328 HG13 ILE 45 HG13 ILE 45 2.516 -7.029 -4.070 329 HG21 ILE 45 HG21 ILE 45 4.946 -9.267 -3.744 330 HG22 ILE 45 HG22 ILE 45 4.410 -9.629 -2.106 331 HG23 ILE 45 HG23 ILE 45 4.509 -7.952 -2.651 332 HD11 ILE 45 HD11 ILE 45 4.561 -7.516 -5.112 333 HD12 ILE 45 HD12 ILE 45 3.351 -7.360 -6.391 334 HD13 ILE 45 HD13 ILE 45 3.906 -8.958 -5.891 335 H GLY 46 H GLY 46 1.559 -11.316 -1.821 336 HA2 GLY 46 HA2 GLY 46 2.850 -13.740 -1.471 337 HA3 GLY 46 HA3 GLY 46 3.889 -12.518 -0.742 338 H GLU 47 H GLU 47 3.477 -13.538 1.325 339 HA GLU 47 HA GLU 47 0.812 -13.480 2.339 340 HB2 GLU 47 HB2 GLU 47 1.937 -14.044 4.513 341 HB3 GLU 47 HB3 GLU 47 2.209 -15.182 3.185 342 HG2 GLU 47 HG2 GLU 47 4.053 -12.964 3.469 343 HG3 GLU 47 HG3 GLU 47 4.142 -14.220 4.695 344 H VAL 48 H VAL 48 0.101 -12.258 4.053 345 HA VAL 48 HA VAL 48 1.259 -9.554 4.201 346 HB VAL 48 HB VAL 48 -1.603 -10.306 3.580 347 HG11 VAL 48 HG11 VAL 48 -1.776 -8.649 5.294 348 HG12 VAL 48 HG12 VAL 48 -2.103 -7.867 3.746 349 HG13 VAL 48 HG13 VAL 48 -0.535 -7.658 4.529 350 HG21 VAL 48 HG21 VAL 48 -0.140 -10.102 1.658 351 HG22 VAL 48 HG22 VAL 48 0.360 -8.497 2.190 352 HG23 VAL 48 HG23 VAL 48 -1.308 -8.781 1.688 353 H GLU 49 H GLU 49 1.634 -8.997 6.083 354 HA GLU 49 HA GLU 49 1.127 -10.490 8.358 355 HB2 GLU 49 HB2 GLU 49 2.951 -8.878 7.949 356 HB3 GLU 49 HB3 GLU 49 1.800 -7.579 8.220 357 HG2 GLU 49 HG2 GLU 49 2.227 -9.752 10.219 358 HG3 GLU 49 HG3 GLU 49 3.274 -8.359 10.133 359 H SER 50 H SER 50 -0.195 -7.366 7.330 360 HA SER 50 HA SER 50 -2.816 -7.978 8.326 361 HB2 SER 50 HB2 SER 50 -1.126 -6.008 9.772 362 HB3 SER 50 HB3 SER 50 -2.873 -5.984 9.879 363 HG SER 50 HG SER 50 -1.038 -7.932 10.806 364 H ALA 51 H ALA 51 -4.265 -6.945 7.058 365 HA ALA 51 HA ALA 51 -3.354 -4.485 5.734 366 HB1 ALA 51 HB1 ALA 51 -3.460 -6.444 4.190 367 HB2 ALA 51 HB2 ALA 51 -4.475 -5.083 3.721 368 HB3 ALA 51 HB3 ALA 51 -5.203 -6.507 4.475 369 H LYS 52 H LYS 52 -4.551 -2.763 6.061 370 HA LYS 52 HA LYS 52 -7.297 -3.184 7.021 371 HB2 LYS 52 HB2 LYS 52 -7.039 -0.848 7.984 372 HB3 LYS 52 HB3 LYS 52 -6.229 -2.147 8.822 373 HG2 LYS 52 HG2 LYS 52 -4.132 -1.447 8.022 374 HG3 LYS 52 HG3 LYS 52 -4.881 -0.340 6.871 375 HD2 LYS 52 HD2 LYS 52 -4.200 1.064 8.594 376 HD3 LYS 52 HD3 LYS 52 -5.906 0.798 8.926 377 HE2 LYS 52 HE2 LYS 52 -3.587 -0.581 10.253 378 HE3 LYS 52 HE3 LYS 52 -4.577 0.698 10.948 379 HZ1 LYS 52 HZ1 LYS 52 -5.436 -2.063 10.278 380 HZ2 LYS 52 HZ2 LYS 52 -6.494 -0.835 10.763 381 HZ3 LYS 52 HZ3 LYS 52 -5.292 -1.381 11.819 382 H LEU 53 H LEU 53 -8.901 -1.901 6.302 383 HA LEU 53 HA LEU 53 -8.322 -0.154 4.012 384 HB2 LEU 53 HB2 LEU 53 -9.660 -2.049 3.330 385 HB3 LEU 53 HB3 LEU 53 -10.765 -1.803 4.664 386 HG LEU 53 HG LEU 53 -10.961 0.592 3.387 387 HD11 LEU 53 HD11 LEU 53 -11.245 0.022 0.990 388 HD12 LEU 53 HD12 LEU 53 -10.477 -1.542 1.309 389 HD13 LEU 53 HD13 LEU 53 -9.570 -0.041 1.548 390 HD21 LEU 53 HD21 LEU 53 -12.534 -1.939 2.882 391 HD22 LEU 53 HD22 LEU 53 -13.077 -0.306 2.497 392 HD23 LEU 53 HD23 LEU 53 -12.807 -0.773 4.175 393 H ILE 54 H ILE 54 -9.009 1.926 4.197 394 HA ILE 54 HA ILE 54 -10.084 2.627 6.830 395 HB ILE 54 HB ILE 54 -8.855 4.437 4.775 396 HG12 ILE 54 HG12 ILE 54 -7.163 2.868 5.504 397 HG13 ILE 54 HG13 ILE 54 -6.842 4.423 6.255 398 HG21 ILE 54 HG21 ILE 54 -10.346 5.565 6.340 399 HG22 ILE 54 HG22 ILE 54 -8.670 6.031 6.630 400 HG23 ILE 54 HG23 ILE 54 -9.460 4.872 7.697 401 HD11 ILE 54 HD11 ILE 54 -8.113 2.032 7.572 402 HD12 ILE 54 HD12 ILE 54 -7.839 3.596 8.341 403 HD13 ILE 54 HD13 ILE 54 -6.467 2.613 7.820 404 H ARG 55 H ARG 55 -12.147 3.089 6.984 405 HA ARG 55 HA ARG 55 -13.480 4.349 4.687 406 HB2 ARG 55 HB2 ARG 55 -14.853 2.511 6.644 407 HB3 ARG 55 HB3 ARG 55 -15.493 3.162 5.144 408 HG2 ARG 55 HG2 ARG 55 -13.665 1.851 3.971 409 HG3 ARG 55 HG3 ARG 55 -13.431 1.024 5.510 410 HD2 ARG 55 HD2 ARG 55 -16.009 1.163 3.945 411 HD3 ARG 55 HD3 ARG 55 -14.928 -0.235 4.050 412 HE ARG 55 HE ARG 55 -15.991 0.815 6.560 413 HH11 ARG 55 HH11 ARG 55 -16.189 -1.627 4.058 414 HH12 ARG 55 HH12 ARG 55 -17.073 -2.743 5.050 415 HH21 ARG 55 HH21 ARG 55 -17.175 -0.639 7.848 416 HH22 ARG 55 HH22 ARG 55 -17.640 -2.182 7.198 417 H ASP 56 H ASP 56 -15.498 5.531 5.401 418 HA ASP 56 HA ASP 56 -14.739 7.304 7.528 419 HB2 ASP 56 HB2 ASP 56 -15.931 7.986 5.379 420 HB3 ASP 56 HB3 ASP 56 -17.380 7.336 6.128 421 H LYS 57 H LYS 57 -15.628 7.556 9.435 422 HA LYS 57 HA LYS 57 -16.891 5.419 10.739 423 HB2 LYS 57 HB2 LYS 57 -16.576 6.691 12.654 424 HB3 LYS 57 HB3 LYS 57 -15.252 7.147 11.613 425 HG2 LYS 57 HG2 LYS 57 -17.760 8.685 12.088 426 HG3 LYS 57 HG3 LYS 57 -16.178 9.059 12.740 427 HD2 LYS 57 HD2 LYS 57 -16.709 8.941 9.758 428 HD3 LYS 57 HD3 LYS 57 -16.924 10.422 10.711 429 HE2 LYS 57 HE2 LYS 57 -14.548 10.175 11.483 430 HE3 LYS 57 HE3 LYS 57 -14.378 8.844 10.344 431 HZ1 LYS 57 HZ1 LYS 57 -14.965 10.398 8.549 432 HZ2 LYS 57 HZ2 LYS 57 -13.555 10.858 9.368 433 HZ3 LYS 57 HZ3 LYS 57 -15.006 11.665 9.675 434 H VAL 58 H VAL 58 -18.161 7.711 8.761 435 HA VAL 58 HA VAL 58 -20.774 7.664 10.106 436 HB VAL 58 HB VAL 58 -19.439 9.968 8.689 437 HG11 VAL 58 HG11 VAL 58 -21.439 11.266 9.274 438 HG12 VAL 58 HG12 VAL 58 -22.231 9.778 9.791 439 HG13 VAL 58 HG13 VAL 58 -21.764 9.990 8.101 440 HG21 VAL 58 HG21 VAL 58 -20.339 9.646 11.539 441 HG22 VAL 58 HG22 VAL 58 -19.553 11.066 10.843 442 HG23 VAL 58 HG23 VAL 58 -18.682 9.532 10.951 443 H ALA 59 H ALA 59 -19.228 8.506 7.028 444 HA ALA 59 HA ALA 59 -21.640 8.018 5.588 445 HB1 ALA 59 HB1 ALA 59 -20.137 9.781 4.909 446 HB2 ALA 59 HB2 ALA 59 -20.343 8.611 3.604 447 HB3 ALA 59 HB3 ALA 59 -18.873 8.597 4.579 448 H GLY 60 H GLY 60 -19.381 6.020 6.799 449 HA2 GLY 60 HA2 GLY 60 -18.969 3.778 6.611 450 HA3 GLY 60 HA3 GLY 60 -20.585 3.699 5.940 451 H HIS 61 H HIS 61 -17.765 5.285 4.486 452 HA HIS 61 HA HIS 61 -17.711 3.140 2.477 453 HB2 HIS 61 HB2 HIS 61 -17.897 4.576 0.637 454 HB3 HIS 61 HB3 HIS 61 -19.066 5.253 1.761 455 HD1 HIS 61 HD1 HIS 61 -16.431 6.242 -0.424 456 HD2 HIS 61 HD2 HIS 61 -17.793 7.533 3.281 457 HE1 HIS 61 HE1 HIS 61 -15.491 8.550 -0.129 458 HE2 HIS 61 HE2 HIS 61 -16.491 9.382 2.029 459 H SER 62 H SER 62 -15.737 2.837 1.442 460 HA SER 62 HA SER 62 -13.435 3.362 2.927 461 HB2 SER 62 HB2 SER 62 -13.497 2.746 -0.031 462 HB3 SER 62 HB3 SER 62 -12.258 2.299 1.144 463 HG SER 62 HG SER 62 -13.614 0.525 0.708 464 H LEU 63 H LEU 63 -12.081 5.038 2.994 465 HA LEU 63 HA LEU 63 -12.907 7.454 1.664 466 HB2 LEU 63 HB2 LEU 63 -10.601 6.931 3.536 467 HB3 LEU 63 HB3 LEU 63 -11.129 8.515 2.998 468 HG LEU 63 HG LEU 63 -12.699 6.588 4.707 469 HD11 LEU 63 HD11 LEU 63 -10.929 7.714 5.918 470 HD12 LEU 63 HD12 LEU 63 -12.504 8.345 6.403 471 HD13 LEU 63 HD13 LEU 63 -11.479 9.275 5.309 472 HD21 LEU 63 HD21 LEU 63 -13.457 9.202 3.439 473 HD22 LEU 63 HD22 LEU 63 -14.262 8.587 4.878 474 HD23 LEU 63 HD23 LEU 63 -14.314 7.659 3.378 475 H GLY 64 H GLY 64 -10.764 4.958 0.954 476 HA2 GLY 64 HA2 GLY 64 -9.954 4.891 -1.315 477 HA3 GLY 64 HA3 GLY 64 -9.669 6.618 -1.212 478 H TYR 65 H TYR 65 -8.757 4.513 1.409 479 HA TYR 65 HA TYR 65 -6.192 3.881 0.381 480 HB2 TYR 65 HB2 TYR 65 -4.771 5.238 1.737 481 HB3 TYR 65 HB3 TYR 65 -5.891 6.316 0.924 482 HD1 TYR 65 HD1 TYR 65 -4.457 5.346 3.989 483 HD2 TYR 65 HD2 TYR 65 -7.938 7.105 2.300 484 HE1 TYR 65 HE1 TYR 65 -4.985 6.359 6.149 485 HE2 TYR 65 HE2 TYR 65 -8.478 8.126 4.462 486 HH TYR 65 HH TYR 65 -8.008 7.812 6.832 487 H GLY 66 H GLY 66 -4.833 2.766 1.950 488 HA2 GLY 66 HA2 GLY 66 -5.996 1.912 4.443 489 HA3 GLY 66 HA3 GLY 66 -6.008 0.671 3.202 490 H PHE 67 H PHE 67 -4.610 -0.275 5.054 491 HA PHE 67 HA PHE 67 -1.797 0.342 4.451 492 HB2 PHE 67 HB2 PHE 67 -2.903 0.067 7.259 493 HB3 PHE 67 HB3 PHE 67 -1.204 0.252 6.836 494 HD1 PHE 67 HD1 PHE 67 -0.284 2.390 6.324 495 HD2 PHE 67 HD2 PHE 67 -4.466 1.936 6.980 496 HE1 PHE 67 HE1 PHE 67 -0.517 4.833 6.493 497 HE2 PHE 67 HE2 PHE 67 -4.704 4.381 7.150 498 HZ PHE 67 HZ PHE 67 -2.728 5.831 6.904 499 H VAL 68 H VAL 68 -1.126 -1.559 3.604 500 HA VAL 68 HA VAL 68 -1.756 -3.956 5.141 501 HB VAL 68 HB VAL 68 -2.491 -4.756 3.218 502 HG11 VAL 68 HG11 VAL 68 -0.896 -2.683 1.771 503 HG12 VAL 68 HG12 VAL 68 -2.605 -2.607 2.217 504 HG13 VAL 68 HG13 VAL 68 -2.053 -3.790 1.028 505 HG21 VAL 68 HG21 VAL 68 -0.835 -5.746 1.676 506 HG22 VAL 68 HG22 VAL 68 -0.481 -6.082 3.369 507 HG23 VAL 68 HG23 VAL 68 0.437 -4.847 2.505 508 H ASN 69 H ASN 69 -0.290 -4.288 6.521 509 HA ASN 69 HA ASN 69 2.510 -3.836 6.106 510 HB2 ASN 69 HB2 ASN 69 1.216 -3.709 8.324 511 HB3 ASN 69 HB3 ASN 69 1.237 -5.461 8.292 512 HD21 ASN 69 HD21 ASN 69 2.488 -5.731 10.056 513 HD22 ASN 69 HD22 ASN 69 4.163 -5.278 10.120 514 H TYR 70 H TYR 70 3.857 -5.252 5.158 515 HA TYR 70 HA TYR 70 2.919 -7.951 4.674 516 HB2 TYR 70 HB2 TYR 70 5.205 -6.293 3.690 517 HB3 TYR 70 HB3 TYR 70 5.314 -8.042 3.593 518 HD1 TYR 70 HD1 TYR 70 3.386 -9.264 2.427 519 HD2 TYR 70 HD2 TYR 70 4.147 -5.105 1.977 520 HE1 TYR 70 HE1 TYR 70 2.129 -9.272 0.318 521 HE2 TYR 70 HE2 TYR 70 2.880 -5.103 -0.129 522 HH TYR 70 HH TYR 70 2.303 -6.894 -1.917 523 H VAL 71 H VAL 71 4.447 -9.753 5.032 524 HA VAL 71 HA VAL 71 5.352 -9.741 7.756 525 HB VAL 71 HB VAL 71 5.861 -12.062 7.455 526 HG11 VAL 71 HG11 VAL 71 3.513 -11.577 7.694 527 HG12 VAL 71 HG12 VAL 71 3.700 -12.916 6.548 528 HG13 VAL 71 HG13 VAL 71 3.358 -11.288 5.961 529 HG21 VAL 71 HG21 VAL 71 7.022 -11.938 5.327 530 HG22 VAL 71 HG22 VAL 71 5.502 -11.615 4.497 531 HG23 VAL 71 HG23 VAL 71 5.767 -13.174 5.278 532 H THR 72 H THR 72 6.683 -9.253 4.630 533 HA THR 72 HA THR 72 9.426 -9.099 5.703 534 HB THR 72 HB THR 72 10.097 -9.268 3.268 535 HG1 THR 72 HG1 THR 72 8.087 -10.602 2.271 536 HG21 THR 72 HG21 THR 72 10.411 -11.178 4.680 537 HG22 THR 72 HG22 THR 72 9.819 -11.705 3.099 538 HG23 THR 72 HG23 THR 72 8.721 -11.651 4.485 539 H ALA 73 H ALA 73 10.751 -7.401 4.689 540 HA ALA 73 HA ALA 73 9.225 -5.115 3.704 541 HB1 ALA 73 HB1 ALA 73 11.392 -3.962 3.630 542 HB2 ALA 73 HB2 ALA 73 12.201 -5.451 4.114 543 HB3 ALA 73 HB3 ALA 73 11.082 -4.652 5.223 544 H LYS 74 H LYS 74 10.797 -7.876 2.657 545 HA LYS 74 HA LYS 74 11.655 -7.245 0.063 546 HB2 LYS 74 HB2 LYS 74 12.387 -9.256 1.043 547 HB3 LYS 74 HB3 LYS 74 10.750 -9.762 1.425 548 HG2 LYS 74 HG2 LYS 74 10.988 -9.410 -1.391 549 HG3 LYS 74 HG3 LYS 74 12.301 -10.440 -0.807 550 HD2 LYS 74 HD2 LYS 74 10.839 -12.027 0.055 551 HD3 LYS 74 HD3 LYS 74 9.485 -10.895 0.108 552 HE2 LYS 74 HE2 LYS 74 9.510 -10.833 -2.366 553 HE3 LYS 74 HE3 LYS 74 10.761 -12.073 -2.352 554 HZ1 LYS 74 HZ1 LYS 74 8.678 -13.142 -2.690 555 HZ2 LYS 74 HZ2 LYS 74 7.968 -12.332 -1.384 556 HZ3 LYS 74 HZ3 LYS 74 9.163 -13.502 -1.109 557 H ASP 75 H ASP 75 8.583 -8.761 1.089 558 HA ASP 75 HA ASP 75 7.449 -8.586 -1.541 559 HB2 ASP 75 HB2 ASP 75 6.195 -9.158 1.158 560 HB3 ASP 75 HB3 ASP 75 5.323 -9.255 -0.367 561 H ALA 76 H ALA 76 7.775 -6.396 1.057 562 HA ALA 76 HA ALA 76 5.595 -4.673 0.517 563 HB1 ALA 76 HB1 ALA 76 6.928 -2.977 1.738 564 HB2 ALA 76 HB2 ALA 76 8.303 -4.085 1.733 565 HB3 ALA 76 HB3 ALA 76 6.827 -4.512 2.601 566 H GLU 77 H GLU 77 9.035 -4.327 -0.373 567 HA GLU 77 HA GLU 77 8.707 -2.297 -2.298 568 HB2 GLU 77 HB2 GLU 77 10.900 -2.837 -1.467 569 HB3 GLU 77 HB3 GLU 77 10.754 -4.509 -1.989 570 HG2 GLU 77 HG2 GLU 77 10.764 -3.769 -4.321 571 HG3 GLU 77 HG3 GLU 77 10.959 -2.103 -3.784 572 H ARG 78 H ARG 78 8.331 -5.777 -2.449 573 HA ARG 78 HA ARG 78 8.262 -6.028 -5.253 574 HB2 ARG 78 HB2 ARG 78 8.660 -7.877 -3.647 575 HB3 ARG 78 HB3 ARG 78 6.980 -7.770 -3.154 576 HG2 ARG 78 HG2 ARG 78 6.225 -8.506 -5.269 577 HG3 ARG 78 HG3 ARG 78 7.840 -8.372 -5.963 578 HD2 ARG 78 HD2 ARG 78 8.628 -10.137 -4.476 579 HD3 ARG 78 HD3 ARG 78 7.026 -10.246 -3.751 580 HE ARG 78 HE ARG 78 6.206 -11.167 -5.784 581 HH11 ARG 78 HH11 ARG 78 9.688 -10.762 -5.744 582 HH12 ARG 78 HH12 ARG 78 9.959 -11.956 -6.972 583 HH21 ARG 78 HH21 ARG 78 6.574 -12.745 -7.394 584 HH22 ARG 78 HH22 ARG 78 8.197 -13.076 -7.908 585 H ALA 79 H ALA 79 5.847 -5.281 -2.807 586 HA ALA 79 HA ALA 79 3.663 -5.417 -4.642 587 HB1 ALA 79 HB1 ALA 79 3.812 -4.088 -1.937 588 HB2 ALA 79 HB2 ALA 79 3.272 -5.731 -2.266 589 HB3 ALA 79 HB3 ALA 79 2.333 -4.358 -2.869 590 H ILE 80 H ILE 80 5.824 -2.889 -3.502 591 HA ILE 80 HA ILE 80 4.344 -0.774 -4.655 592 HB ILE 80 HB ILE 80 7.274 -0.830 -4.081 593 HG12 ILE 80 HG12 ILE 80 4.942 -0.009 -2.344 594 HG13 ILE 80 HG13 ILE 80 5.909 -1.461 -2.130 595 HG21 ILE 80 HG21 ILE 80 7.078 1.569 -3.939 596 HG22 ILE 80 HG22 ILE 80 5.341 1.475 -4.259 597 HG23 ILE 80 HG23 ILE 80 6.502 1.015 -5.514 598 HD11 ILE 80 HD11 ILE 80 6.511 0.317 -0.582 599 HD12 ILE 80 HD12 ILE 80 6.948 1.341 -1.950 600 HD13 ILE 80 HD13 ILE 80 7.843 -0.145 -1.637 601 H ASN 81 H ASN 81 6.919 -2.820 -5.935 602 HA ASN 81 HA ASN 81 7.011 -1.176 -8.306 603 HB2 ASN 81 HB2 ASN 81 8.634 -2.866 -9.141 604 HB3 ASN 81 HB3 ASN 81 9.087 -2.088 -7.625 605 HD21 ASN 81 HD21 ASN 81 10.379 -3.579 -6.787 606 HD22 ASN 81 HD22 ASN 81 9.887 -5.176 -6.355 607 H THR 82 H THR 82 5.456 -4.054 -7.257 608 HA THR 82 HA THR 82 4.625 -4.730 -9.937 609 HB THR 82 HB THR 82 4.273 -6.042 -7.274 610 HG1 THR 82 HG1 THR 82 6.280 -6.239 -8.414 611 HG21 THR 82 HG21 THR 82 2.214 -6.549 -8.335 612 HG22 THR 82 HG22 THR 82 3.248 -7.962 -8.560 613 HG23 THR 82 HG23 THR 82 3.005 -6.828 -9.890 614 H LEU 83 H LEU 83 2.966 -4.071 -6.836 615 HA LEU 83 HA LEU 83 0.405 -4.084 -8.149 616 HB2 LEU 83 HB2 LEU 83 1.215 -3.738 -5.299 617 HB3 LEU 83 HB3 LEU 83 -0.450 -3.700 -5.822 618 HG LEU 83 HG LEU 83 1.448 -6.043 -5.993 619 HD11 LEU 83 HD11 LEU 83 -0.759 -5.246 -4.183 620 HD12 LEU 83 HD12 LEU 83 0.735 -6.115 -3.835 621 HD13 LEU 83 HD13 LEU 83 -0.621 -6.952 -4.602 622 HD21 LEU 83 HD21 LEU 83 0.104 -6.177 -7.933 623 HD22 LEU 83 HD22 LEU 83 -1.345 -5.700 -7.047 624 HD23 LEU 83 HD23 LEU 83 -0.610 -7.281 -6.749 625 H ASN 84 H ASN 84 2.588 -1.609 -6.998 626 HA ASN 84 HA ASN 84 0.666 0.419 -6.553 627 HB2 ASN 84 HB2 ASN 84 3.052 0.524 -5.832 628 HB3 ASN 84 HB3 ASN 84 3.520 0.752 -7.512 629 HD21 ASN 84 HD21 ASN 84 4.117 2.489 -5.402 630 HD22 ASN 84 HD22 ASN 84 3.370 4.000 -5.738 631 H GLY 85 H GLY 85 -0.622 1.422 -7.906 632 HA2 GLY 85 HA2 GLY 85 -1.349 2.390 -9.896 633 HA3 GLY 85 HA3 GLY 85 0.083 1.773 -10.704 634 H LEU 86 H LEU 86 -1.832 -0.337 -8.736 635 HA LEU 86 HA LEU 86 -2.494 -1.967 -11.029 636 HB2 LEU 86 HB2 LEU 86 -2.083 -2.437 -8.292 637 HB3 LEU 86 HB3 LEU 86 -3.789 -2.731 -8.542 638 HG LEU 86 HG LEU 86 -2.479 -4.788 -8.695 639 HD11 LEU 86 HD11 LEU 86 -4.536 -4.624 -9.985 640 HD12 LEU 86 HD12 LEU 86 -3.333 -5.598 -10.832 641 HD13 LEU 86 HD13 LEU 86 -3.642 -3.938 -11.340 642 HD21 LEU 86 HD21 LEU 86 -0.441 -3.579 -9.599 643 HD22 LEU 86 HD22 LEU 86 -1.211 -3.679 -11.181 644 HD23 LEU 86 HD23 LEU 86 -0.808 -5.152 -10.303 645 H ARG 87 H ARG 87 -4.566 -2.353 -11.813 646 HA ARG 87 HA ARG 87 -6.505 -0.305 -11.164 647 HB2 ARG 87 HB2 ARG 87 -5.815 -1.409 -13.524 648 HB3 ARG 87 HB3 ARG 87 -7.164 -2.454 -13.095 649 HG2 ARG 87 HG2 ARG 87 -8.116 -0.749 -14.363 650 HG3 ARG 87 HG3 ARG 87 -8.469 -0.321 -12.688 651 HD2 ARG 87 HD2 ARG 87 -7.745 1.655 -13.867 652 HD3 ARG 87 HD3 ARG 87 -6.511 1.190 -12.696 653 HE ARG 87 HE ARG 87 -5.939 0.018 -15.197 654 HH11 ARG 87 HH11 ARG 87 -5.867 3.127 -13.571 655 HH12 ARG 87 HH12 ARG 87 -4.636 3.773 -14.610 656 HH21 ARG 87 HH21 ARG 87 -4.307 0.876 -16.543 657 HH22 ARG 87 HH22 ARG 87 -3.748 2.497 -16.291 658 H LEU 88 H LEU 88 -7.110 -0.928 -9.107 659 HA LEU 88 HA LEU 88 -8.334 -3.534 -8.693 660 HB2 LEU 88 HB2 LEU 88 -7.317 -1.358 -7.024 661 HB3 LEU 88 HB3 LEU 88 -8.817 -2.056 -6.441 662 HG LEU 88 HG LEU 88 -6.320 -3.643 -7.033 663 HD11 LEU 88 HD11 LEU 88 -5.875 -3.667 -4.737 664 HD12 LEU 88 HD12 LEU 88 -7.470 -3.032 -4.335 665 HD13 LEU 88 HD13 LEU 88 -6.271 -1.979 -5.082 666 HD21 LEU 88 HD21 LEU 88 -8.970 -4.332 -5.773 667 HD22 LEU 88 HD22 LEU 88 -7.551 -5.384 -5.751 668 HD23 LEU 88 HD23 LEU 88 -8.313 -4.964 -7.285 669 H GLN 89 H GLN 89 -10.359 -3.756 -9.428 670 HA GLN 89 HA GLN 89 -12.539 -3.321 -9.928 671 HB2 GLN 89 HB2 GLN 89 -12.319 -1.573 -7.515 672 HB3 GLN 89 HB3 GLN 89 -13.826 -2.126 -8.223 673 HG2 GLN 89 HG2 GLN 89 -13.086 -4.467 -7.766 674 HG3 GLN 89 HG3 GLN 89 -11.710 -3.796 -6.895 675 HE21 GLN 89 HE21 GLN 89 -13.265 -1.564 -5.881 676 HE22 GLN 89 HE22 GLN 89 -14.273 -2.194 -4.629 677 H SER 90 H SER 90 -10.613 -1.756 -11.219 678 HA SER 90 HA SER 90 -10.589 -0.128 -12.800 679 HB2 SER 90 HB2 SER 90 -13.343 0.281 -11.814 680 HB3 SER 90 HB3 SER 90 -12.671 1.283 -13.094 681 HG SER 90 HG SER 90 -13.886 -0.918 -13.467 682 H LYS 91 H LYS 91 -9.785 0.191 -9.988 683 HA LYS 91 HA LYS 91 -9.495 3.127 -10.009 684 HB2 LYS 91 HB2 LYS 91 -10.943 2.450 -8.211 685 HB3 LYS 91 HB3 LYS 91 -9.788 1.293 -7.647 686 HG2 LYS 91 HG2 LYS 91 -10.008 3.376 -6.329 687 HG3 LYS 91 HG3 LYS 91 -8.383 2.988 -6.862 688 HD2 LYS 91 HD2 LYS 91 -8.413 4.631 -8.501 689 HD3 LYS 91 HD3 LYS 91 -10.172 4.804 -8.429 690 HE2 LYS 91 HE2 LYS 91 -10.022 5.724 -6.222 691 HE3 LYS 91 HE3 LYS 91 -8.283 5.460 -6.197 692 HZ1 LYS 91 HZ1 LYS 91 -8.039 7.073 -7.971 693 HZ2 LYS 91 HZ2 LYS 91 -8.868 7.776 -6.674 694 HZ3 LYS 91 HZ3 LYS 91 -9.715 7.288 -8.052 695 H THR 92 H THR 92 -7.467 3.828 -9.911 696 HA THR 92 HA THR 92 -5.375 1.785 -9.866 697 HB THR 92 HB THR 92 -4.562 4.551 -10.393 698 HG1 THR 92 HG1 THR 92 -6.353 4.754 -11.629 699 HG21 THR 92 HG21 THR 92 -4.128 1.930 -11.827 700 HG22 THR 92 HG22 THR 92 -3.037 2.663 -10.653 701 HG23 THR 92 HG23 THR 92 -3.317 3.449 -12.207 702 H ILE 93 H ILE 93 -4.227 1.452 -8.145 703 HA ILE 93 HA ILE 93 -4.661 3.212 -5.859 704 HB ILE 93 HB ILE 93 -4.099 1.273 -4.521 705 HG12 ILE 93 HG12 ILE 93 -3.538 -0.039 -7.191 706 HG13 ILE 93 HG13 ILE 93 -2.342 0.375 -5.971 707 HG21 ILE 93 HG21 ILE 93 -6.406 1.605 -5.583 708 HG22 ILE 93 HG22 ILE 93 -6.033 -0.027 -5.021 709 HG23 ILE 93 HG23 ILE 93 -5.931 0.360 -6.743 710 HD11 ILE 93 HD11 ILE 93 -3.468 -1.212 -4.438 711 HD12 ILE 93 HD12 ILE 93 -2.747 -1.948 -5.870 712 HD13 ILE 93 HD13 ILE 93 -4.492 -1.696 -5.791 713 H LYS 94 H LYS 94 -2.908 3.337 -4.232 714 HA LYS 94 HA LYS 94 -0.234 3.541 -5.482 715 HB2 LYS 94 HB2 LYS 94 -0.937 5.781 -5.197 716 HB3 LYS 94 HB3 LYS 94 -1.700 5.425 -3.653 717 HG2 LYS 94 HG2 LYS 94 0.670 4.940 -2.804 718 HG3 LYS 94 HG3 LYS 94 1.209 5.777 -4.260 719 HD2 LYS 94 HD2 LYS 94 0.492 7.808 -3.528 720 HD3 LYS 94 HD3 LYS 94 -0.878 7.127 -2.651 721 HE2 LYS 94 HE2 LYS 94 0.707 8.064 -1.087 722 HE3 LYS 94 HE3 LYS 94 0.667 6.311 -0.918 723 HZ1 LYS 94 HZ1 LYS 94 2.703 6.151 -2.169 724 HZ2 LYS 94 HZ2 LYS 94 2.924 7.220 -0.868 725 HZ3 LYS 94 HZ3 LYS 94 2.719 7.827 -2.435 726 H VAL 95 H VAL 95 0.684 1.696 -4.592 727 HA VAL 95 HA VAL 95 0.564 1.462 -1.682 728 HB VAL 95 HB VAL 95 0.667 -0.721 -1.922 729 HG11 VAL 95 HG11 VAL 95 -0.703 -0.266 -3.873 730 HG12 VAL 95 HG12 VAL 95 0.269 -1.734 -4.091 731 HG13 VAL 95 HG13 VAL 95 0.746 -0.230 -4.879 732 HG21 VAL 95 HG21 VAL 95 2.993 -0.800 -1.906 733 HG22 VAL 95 HG22 VAL 95 3.099 -0.209 -3.557 734 HG23 VAL 95 HG23 VAL 95 2.501 -1.838 -3.247 735 H SER 96 H SER 96 2.216 1.929 -0.417 736 HA SER 96 HA SER 96 4.902 2.322 -1.401 737 HB2 SER 96 HB2 SER 96 3.344 4.662 -0.245 738 HB3 SER 96 HB3 SER 96 5.026 4.680 -0.772 739 HG SER 96 HG SER 96 3.541 3.773 -2.788 740 H TYR 97 H TYR 97 6.346 2.889 0.485 741 HA TYR 97 HA TYR 97 5.681 1.312 2.757 742 HB2 TYR 97 HB2 TYR 97 7.846 3.412 2.673 743 HB3 TYR 97 HB3 TYR 97 7.777 1.965 3.667 744 HD1 TYR 97 HD1 TYR 97 7.801 -0.318 2.346 745 HD2 TYR 97 HD2 TYR 97 9.110 3.409 0.753 746 HE1 TYR 97 HE1 TYR 97 9.165 -1.508 0.677 747 HE2 TYR 97 HE2 TYR 97 10.472 2.228 -0.916 748 HH TYR 97 HH TYR 97 10.174 -1.121 -1.495 749 H ALA 98 H ALA 98 4.043 1.936 4.025 750 HA ALA 98 HA ALA 98 3.466 4.657 4.649 751 HB1 ALA 98 HB1 ALA 98 1.900 2.581 4.819 752 HB2 ALA 98 HB2 ALA 98 1.763 3.848 6.036 753 HB3 ALA 98 HB3 ALA 98 2.639 2.360 6.406 754 H ARG 99 H ARG 99 4.776 5.885 5.840 755 HA ARG 99 HA ARG 99 7.191 5.188 6.798 756 HB2 ARG 99 HB2 ARG 99 7.108 7.217 8.258 757 HB3 ARG 99 HB3 ARG 99 6.632 7.489 6.590 758 HG2 ARG 99 HG2 ARG 99 4.332 7.624 7.183 759 HG3 ARG 99 HG3 ARG 99 4.662 7.063 8.824 760 HD2 ARG 99 HD2 ARG 99 5.625 9.651 7.606 761 HD3 ARG 99 HD3 ARG 99 4.306 9.482 8.766 762 HE ARG 99 HE ARG 99 6.555 8.315 9.909 763 HH11 ARG 99 HH11 ARG 99 5.538 11.498 8.869 764 HH12 ARG 99 HH12 ARG 99 6.521 12.327 10.034 765 HH21 ARG 99 HH21 ARG 99 7.854 9.398 11.426 766 HH22 ARG 99 HH22 ARG 99 7.850 11.133 11.482 767 HA PRO 100 HA PRO 100 6.264 2.386 10.201 768 HB2 PRO 100 HB2 PRO 100 9.231 2.580 10.357 769 HB3 PRO 100 HB3 PRO 100 8.196 1.152 10.341 770 HG2 PRO 100 HG2 PRO 100 9.568 1.813 8.179 771 HG3 PRO 100 HG3 PRO 100 7.903 1.218 8.041 772 HD2 PRO 100 HD2 PRO 100 8.942 4.010 7.838 773 HD3 PRO 100 HD3 PRO 100 7.673 3.208 6.893 774 H SER 101 H SER 101 5.923 2.813 12.280 775 HA SER 101 HA SER 101 6.163 5.202 13.451 776 HB2 SER 101 HB2 SER 101 6.154 2.553 14.873 777 HB3 SER 101 HB3 SER 101 5.565 4.092 15.489 778 HG SER 101 HG SER 101 3.821 3.965 14.251 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 16.451 8.702 -8.319 2 H2 GLY 1 H2 GLY 1 14.912 8.181 -7.848 3 H3 GLY 1 H3 GLY 1 15.119 8.974 -9.326 4 HA2 GLY 1 HA2 GLY 1 16.472 7.146 -10.148 5 HA3 GLY 1 HA3 GLY 1 16.231 6.316 -8.617 6 H HIS 2 H HIS 2 15.285 4.554 -9.836 7 HA HIS 2 HA HIS 2 12.518 5.170 -10.642 8 HB2 HIS 2 HB2 HIS 2 14.068 4.328 -12.468 9 HB3 HIS 2 HB3 HIS 2 14.120 2.797 -11.603 10 HD1 HIS 2 HD1 HIS 2 12.359 1.148 -12.221 11 HD2 HIS 2 HD2 HIS 2 11.308 5.034 -13.263 12 HE1 HIS 2 HE1 HIS 2 10.180 0.956 -13.457 13 HE2 HIS 2 HE2 HIS 2 9.650 3.297 -14.212 14 H MET 3 H MET 3 12.272 4.994 -8.253 15 HA MET 3 HA MET 3 12.357 2.294 -7.151 16 HB2 MET 3 HB2 MET 3 13.136 4.320 -5.869 17 HB3 MET 3 HB3 MET 3 11.472 4.880 -5.845 18 HG2 MET 3 HG2 MET 3 10.912 2.688 -4.689 19 HG3 MET 3 HG3 MET 3 12.650 2.484 -4.479 20 HE1 MET 3 HE1 MET 3 14.177 4.240 -3.153 21 HE2 MET 3 HE2 MET 3 13.541 5.647 -2.304 22 HE3 MET 3 HE3 MET 3 13.513 5.595 -4.066 23 H SER 4 H SER 4 10.415 3.363 -9.267 24 HA SER 4 HA SER 4 8.228 3.268 -9.834 25 HB2 SER 4 HB2 SER 4 8.289 0.966 -8.969 26 HB3 SER 4 HB3 SER 4 7.986 1.557 -7.337 27 HG SER 4 HG SER 4 6.248 1.435 -9.549 28 H ASN 5 H ASN 5 6.663 2.961 -6.897 29 HA ASN 5 HA ASN 5 5.711 4.361 -5.386 30 HB2 ASN 5 HB2 ASN 5 7.963 5.099 -4.857 31 HB3 ASN 5 HB3 ASN 5 7.961 6.203 -6.222 32 HD21 ASN 5 HD21 ASN 5 5.260 5.732 -3.976 33 HD22 ASN 5 HD22 ASN 5 5.339 7.336 -3.319 34 H GLY 6 H GLY 6 6.751 6.866 -7.719 35 HA2 GLY 6 HA2 GLY 6 5.512 8.385 -8.927 36 HA3 GLY 6 HA3 GLY 6 4.280 7.134 -9.037 37 H TYR 7 H TYR 7 5.284 8.127 -5.933 38 HA TYR 7 HA TYR 7 3.049 9.968 -5.569 39 HB2 TYR 7 HB2 TYR 7 2.279 7.603 -5.047 40 HB3 TYR 7 HB3 TYR 7 3.502 7.560 -3.788 41 HD1 TYR 7 HD1 TYR 7 0.236 8.853 -4.765 42 HD2 TYR 7 HD2 TYR 7 3.219 8.874 -1.732 43 HE1 TYR 7 HE1 TYR 7 -1.391 9.785 -3.180 44 HE2 TYR 7 HE2 TYR 7 1.597 9.809 -0.138 45 HH TYR 7 HH TYR 7 -1.761 9.917 -0.787 46 H GLU 8 H GLU 8 4.698 11.503 -5.366 47 HA GLU 8 HA GLU 8 7.077 11.268 -4.005 48 HB2 GLU 8 HB2 GLU 8 6.694 13.131 -5.457 49 HB3 GLU 8 HB3 GLU 8 5.372 13.716 -4.453 50 HG2 GLU 8 HG2 GLU 8 6.984 14.117 -2.633 51 HG3 GLU 8 HG3 GLU 8 8.285 13.614 -3.711 52 H ASP 9 H ASP 9 7.644 11.086 -2.011 53 HA ASP 9 HA ASP 9 6.561 12.127 0.298 54 HB2 ASP 9 HB2 ASP 9 4.505 10.920 -0.141 55 HB3 ASP 9 HB3 ASP 9 5.396 9.434 -0.442 56 H HIS 10 H HIS 10 8.205 9.767 -1.417 57 HA HIS 10 HA HIS 10 10.393 9.545 0.379 58 HB2 HIS 10 HB2 HIS 10 10.124 7.035 0.743 59 HB3 HIS 10 HB3 HIS 10 8.982 8.030 1.642 60 HD1 HIS 10 HD1 HIS 10 6.506 7.756 1.120 61 HD2 HIS 10 HD2 HIS 10 8.996 5.647 -1.474 62 HE1 HIS 10 HE1 HIS 10 4.984 6.378 -0.327 63 HE2 HIS 10 HE2 HIS 10 6.500 5.325 -2.033 64 H MET 11 H MET 11 10.055 10.295 -2.263 65 HA MET 11 HA MET 11 10.524 7.966 -3.952 66 HB2 MET 11 HB2 MET 11 8.842 9.513 -4.720 67 HB3 MET 11 HB3 MET 11 9.951 10.867 -4.561 68 HG2 MET 11 HG2 MET 11 11.311 10.004 -6.356 69 HG3 MET 11 HG3 MET 11 10.279 8.583 -6.488 70 HE1 MET 11 HE1 MET 11 8.844 12.243 -5.812 71 HE2 MET 11 HE2 MET 11 8.895 12.872 -7.459 72 HE3 MET 11 HE3 MET 11 10.393 12.450 -6.630 73 H ALA 12 H ALA 12 12.002 11.047 -3.079 74 HA ALA 12 HA ALA 12 14.492 10.162 -4.367 75 HB1 ALA 12 HB1 ALA 12 15.178 12.489 -4.309 76 HB2 ALA 12 HB2 ALA 12 13.717 12.919 -3.422 77 HB3 ALA 12 HB3 ALA 12 13.601 12.339 -5.084 78 H GLU 13 H GLU 13 13.228 11.597 -1.394 79 HA GLU 13 HA GLU 13 14.996 10.313 0.374 80 HB2 GLU 13 HB2 GLU 13 16.438 12.247 0.962 81 HB3 GLU 13 HB3 GLU 13 16.728 11.668 -0.676 82 HG2 GLU 13 HG2 GLU 13 15.366 13.462 -1.578 83 HG3 GLU 13 HG3 GLU 13 15.002 14.028 0.053 84 H ASP 14 H ASP 14 12.287 11.626 -0.214 85 HA ASP 14 HA ASP 14 11.855 13.780 1.419 86 HB2 ASP 14 HB2 ASP 14 9.762 11.749 0.725 87 HB3 ASP 14 HB3 ASP 14 9.546 13.473 0.995 88 H CYS 15 H CYS 15 11.720 10.362 2.048 89 HA CYS 15 HA CYS 15 11.596 10.885 4.922 90 HB2 CYS 15 HB2 CYS 15 9.805 8.945 3.445 91 HB3 CYS 15 HB3 CYS 15 10.010 8.969 5.194 92 HG CYS 15 HG CYS 15 8.077 10.846 3.258 93 H ARG 16 H ARG 16 11.743 8.372 5.908 94 HA ARG 16 HA ARG 16 14.275 7.414 5.146 95 HB2 ARG 16 HB2 ARG 16 12.124 6.147 6.827 96 HB3 ARG 16 HB3 ARG 16 13.716 5.444 6.600 97 HG2 ARG 16 HG2 ARG 16 13.927 6.517 8.619 98 HG3 ARG 16 HG3 ARG 16 14.563 7.723 7.502 99 HD2 ARG 16 HD2 ARG 16 12.483 8.921 7.532 100 HD3 ARG 16 HD3 ARG 16 11.721 7.654 8.491 101 HE ARG 16 HE ARG 16 14.013 9.103 9.600 102 HH11 ARG 16 HH11 ARG 16 10.581 8.389 9.643 103 HH12 ARG 16 HH12 ARG 16 10.332 9.054 11.227 104 HH21 ARG 16 HH21 ARG 16 13.683 9.983 11.680 105 HH22 ARG 16 HH22 ARG 16 12.096 9.966 12.378 106 H GLY 17 H GLY 17 11.628 5.158 5.282 107 HA2 GLY 17 HA2 GLY 17 10.718 3.722 3.756 108 HA3 GLY 17 HA3 GLY 17 11.077 4.948 2.556 109 H ASP 18 H ASP 18 13.723 3.513 4.358 110 HA ASP 18 HA ASP 18 14.062 1.354 2.465 111 HB2 ASP 18 HB2 ASP 18 15.047 3.514 1.429 112 HB3 ASP 18 HB3 ASP 18 16.333 3.319 2.615 113 H ILE 19 H ILE 19 13.731 1.755 5.316 114 HA ILE 19 HA ILE 19 16.258 0.786 6.411 115 HB ILE 19 HB ILE 19 14.182 1.080 8.372 116 HG12 ILE 19 HG12 ILE 19 14.522 3.759 7.835 117 HG13 ILE 19 HG13 ILE 19 14.279 3.070 6.242 118 HG21 ILE 19 HG21 ILE 19 15.824 2.580 9.382 119 HG22 ILE 19 HG22 ILE 19 16.750 2.576 7.883 120 HG23 ILE 19 HG23 ILE 19 16.581 1.092 8.818 121 HD11 ILE 19 HD11 ILE 19 12.193 3.845 7.194 122 HD12 ILE 19 HD12 ILE 19 12.406 2.757 8.567 123 HD13 ILE 19 HD13 ILE 19 12.179 2.097 6.944 124 H GLY 20 H GLY 20 12.931 0.186 7.342 125 HA2 GLY 20 HA2 GLY 20 13.107 -2.615 6.512 126 HA3 GLY 20 HA3 GLY 20 12.735 -2.270 8.203 127 H ARG 21 H ARG 21 11.805 -0.537 5.308 128 HA ARG 21 HA ARG 21 9.197 -0.075 6.272 129 HB2 ARG 21 HB2 ARG 21 8.926 0.630 3.707 130 HB3 ARG 21 HB3 ARG 21 9.696 1.642 4.916 131 HG2 ARG 21 HG2 ARG 21 11.078 1.670 3.013 132 HG3 ARG 21 HG3 ARG 21 11.880 0.663 4.211 133 HD2 ARG 21 HD2 ARG 21 11.160 -1.338 3.072 134 HD3 ARG 21 HD3 ARG 21 10.198 -0.388 1.941 135 HE ARG 21 HE ARG 21 12.780 0.533 1.680 136 HH11 ARG 21 HH11 ARG 21 11.107 -2.503 1.273 137 HH12 ARG 21 HH12 ARG 21 12.215 -3.106 0.085 138 HH21 ARG 21 HH21 ARG 21 14.266 -0.258 0.115 139 HH22 ARG 21 HH22 ARG 21 14.004 -1.834 -0.576 140 H THR 22 H THR 22 8.125 -1.929 6.657 141 HA THR 22 HA THR 22 7.455 -3.648 4.380 142 HB THR 22 HB THR 22 6.410 -5.099 6.119 143 HG1 THR 22 HG1 THR 22 5.891 -3.577 7.698 144 HG21 THR 22 HG21 THR 22 8.741 -5.484 5.501 145 HG22 THR 22 HG22 THR 22 8.498 -5.800 7.221 146 HG23 THR 22 HG23 THR 22 9.265 -4.300 6.700 147 H ASN 23 H ASN 23 6.300 -1.137 6.366 148 HA ASN 23 HA ASN 23 3.482 -1.522 6.107 149 HB2 ASN 23 HB2 ASN 23 4.675 -0.147 7.872 150 HB3 ASN 23 HB3 ASN 23 4.997 1.049 6.617 151 HD21 ASN 23 HD21 ASN 23 3.858 2.602 7.742 152 HD22 ASN 23 HD22 ASN 23 2.131 2.621 7.787 153 H LEU 24 H LEU 24 2.328 -1.212 4.296 154 HA LEU 24 HA LEU 24 3.445 0.589 2.254 155 HB2 LEU 24 HB2 LEU 24 2.854 -2.140 2.092 156 HB3 LEU 24 HB3 LEU 24 1.548 -1.342 1.239 157 HG LEU 24 HG LEU 24 3.126 -0.284 -0.272 158 HD11 LEU 24 HD11 LEU 24 5.525 -0.939 -0.177 159 HD12 LEU 24 HD12 LEU 24 5.221 -1.653 1.408 160 HD13 LEU 24 HD13 LEU 24 5.013 0.079 1.166 161 HD21 LEU 24 HD21 LEU 24 3.747 -3.205 0.036 162 HD22 LEU 24 HD22 LEU 24 3.875 -2.240 -1.435 163 HD23 LEU 24 HD23 LEU 24 2.294 -2.561 -0.719 164 H ILE 25 H ILE 25 2.367 2.386 2.178 165 HA ILE 25 HA ILE 25 -0.451 2.559 2.767 166 HB ILE 25 HB ILE 25 1.154 4.437 3.248 167 HG12 ILE 25 HG12 ILE 25 -1.199 4.999 1.444 168 HG13 ILE 25 HG13 ILE 25 -1.217 4.815 3.196 169 HG21 ILE 25 HG21 ILE 25 1.108 4.848 0.267 170 HG22 ILE 25 HG22 ILE 25 2.484 4.250 1.197 171 HG23 ILE 25 HG23 ILE 25 1.883 5.890 1.462 172 HD11 ILE 25 HD11 ILE 25 0.127 7.028 1.675 173 HD12 ILE 25 HD12 ILE 25 0.118 6.834 3.427 174 HD13 ILE 25 HD13 ILE 25 -1.391 7.139 2.566 175 H VAL 26 H VAL 26 -2.065 2.502 1.283 176 HA VAL 26 HA VAL 26 -1.238 2.376 -1.546 177 HB VAL 26 HB VAL 26 -3.507 0.761 -0.381 178 HG11 VAL 26 HG11 VAL 26 -3.285 -0.470 -2.504 179 HG12 VAL 26 HG12 VAL 26 -2.023 0.652 -3.007 180 HG13 VAL 26 HG13 VAL 26 -3.669 1.232 -2.764 181 HG21 VAL 26 HG21 VAL 26 -1.999 -1.169 -0.542 182 HG22 VAL 26 HG22 VAL 26 -1.429 0.021 0.628 183 HG23 VAL 26 HG23 VAL 26 -0.677 -0.082 -0.963 184 H ASN 27 H ASN 27 -1.988 4.110 -2.489 185 HA ASN 27 HA ASN 27 -4.523 5.282 -1.602 186 HB2 ASN 27 HB2 ASN 27 -2.133 6.338 -3.038 187 HB3 ASN 27 HB3 ASN 27 -3.693 7.046 -3.441 188 HD21 ASN 27 HD21 ASN 27 -2.643 5.824 -0.350 189 HD22 ASN 27 HD22 ASN 27 -2.737 7.327 0.495 190 H TYR 28 H TYR 28 -5.834 6.234 -3.438 191 HA TYR 28 HA TYR 28 -7.038 6.060 -5.348 192 HB2 TYR 28 HB2 TYR 28 -4.657 4.535 -6.410 193 HB3 TYR 28 HB3 TYR 28 -5.933 5.268 -7.375 194 HD1 TYR 28 HD1 TYR 28 -5.992 7.701 -7.692 195 HD2 TYR 28 HD2 TYR 28 -2.996 5.871 -5.313 196 HE1 TYR 28 HE1 TYR 28 -4.713 9.806 -7.687 197 HE2 TYR 28 HE2 TYR 28 -1.705 7.942 -5.280 198 HH TYR 28 HH TYR 28 -1.482 10.008 -6.650 199 H LEU 29 H LEU 29 -7.124 4.005 -3.248 200 HA LEU 29 HA LEU 29 -7.789 1.503 -4.439 201 HB2 LEU 29 HB2 LEU 29 -8.749 2.742 -1.850 202 HB3 LEU 29 HB3 LEU 29 -8.976 1.068 -2.312 203 HG LEU 29 HG LEU 29 -6.406 2.450 -1.586 204 HD11 LEU 29 HD11 LEU 29 -6.297 0.746 0.129 205 HD12 LEU 29 HD12 LEU 29 -7.783 0.009 -0.472 206 HD13 LEU 29 HD13 LEU 29 -7.823 1.621 0.244 207 HD21 LEU 29 HD21 LEU 29 -5.868 1.120 -3.488 208 HD22 LEU 29 HD22 LEU 29 -6.815 -0.234 -2.878 209 HD23 LEU 29 HD23 LEU 29 -5.335 0.247 -2.052 210 HA PRO 30 HA PRO 30 -11.838 2.397 -6.086 211 HB2 PRO 30 HB2 PRO 30 -12.757 -0.110 -4.820 212 HB3 PRO 30 HB3 PRO 30 -12.792 0.363 -6.514 213 HG2 PRO 30 HG2 PRO 30 -11.065 -1.479 -5.573 214 HG3 PRO 30 HG3 PRO 30 -10.664 -0.396 -6.915 215 HD2 PRO 30 HD2 PRO 30 -9.771 -0.318 -4.084 216 HD3 PRO 30 HD3 PRO 30 -8.912 0.177 -5.557 217 H GLN 31 H GLN 31 -13.599 3.455 -5.240 218 HA GLN 31 HA GLN 31 -13.349 4.214 -2.518 219 HB2 GLN 31 HB2 GLN 31 -15.529 4.891 -4.481 220 HB3 GLN 31 HB3 GLN 31 -15.218 5.720 -2.962 221 HG2 GLN 31 HG2 GLN 31 -13.363 5.574 -5.319 222 HG3 GLN 31 HG3 GLN 31 -14.330 6.967 -4.851 223 HE21 GLN 31 HE21 GLN 31 -13.767 6.519 -1.977 224 HE22 GLN 31 HE22 GLN 31 -12.139 7.039 -1.745 225 H ASN 32 H ASN 32 -14.829 1.561 -3.836 226 HA ASN 32 HA ASN 32 -16.771 1.380 -1.631 227 HB2 ASN 32 HB2 ASN 32 -18.096 -0.083 -3.048 228 HB3 ASN 32 HB3 ASN 32 -17.798 1.433 -3.884 229 HD21 ASN 32 HD21 ASN 32 -18.507 -1.131 -5.002 230 HD22 ASN 32 HD22 ASN 32 -17.231 -1.572 -6.085 231 H MET 33 H MET 33 -13.787 0.349 -2.414 232 HA MET 33 HA MET 33 -14.059 -2.488 -2.303 233 HB2 MET 33 HB2 MET 33 -12.223 -1.201 -3.438 234 HB3 MET 33 HB3 MET 33 -11.558 -0.883 -1.840 235 HG2 MET 33 HG2 MET 33 -11.187 -3.166 -1.450 236 HG3 MET 33 HG3 MET 33 -12.103 -3.632 -2.865 237 HE1 MET 33 HE1 MET 33 -9.388 -1.032 -2.048 238 HE2 MET 33 HE2 MET 33 -7.946 -1.781 -2.745 239 HE3 MET 33 HE3 MET 33 -8.784 -2.558 -1.397 240 H THR 34 H THR 34 -12.737 -3.795 -0.695 241 HA THR 34 HA THR 34 -13.419 -2.891 2.024 242 HB THR 34 HB THR 34 -13.897 -5.147 2.619 243 HG1 THR 34 HG1 THR 34 -13.542 -6.849 1.035 244 HG21 THR 34 HG21 THR 34 -15.624 -3.991 1.230 245 HG22 THR 34 HG22 THR 34 -15.687 -5.750 1.132 246 HG23 THR 34 HG23 THR 34 -14.967 -4.820 -0.185 247 H GLN 35 H GLN 35 -12.031 -3.855 3.774 248 HA GLN 35 HA GLN 35 -9.284 -3.686 3.420 249 HB2 GLN 35 HB2 GLN 35 -10.728 -5.501 5.360 250 HB3 GLN 35 HB3 GLN 35 -9.020 -5.102 5.424 251 HG2 GLN 35 HG2 GLN 35 -10.036 -3.768 7.034 252 HG3 GLN 35 HG3 GLN 35 -9.725 -2.705 5.670 253 HE21 GLN 35 HE21 GLN 35 -12.334 -5.036 5.693 254 HE22 GLN 35 HE22 GLN 35 -13.617 -3.878 5.803 255 H ASP 36 H ASP 36 -11.408 -6.483 3.209 256 HA ASP 36 HA ASP 36 -9.426 -8.459 3.034 257 HB2 ASP 36 HB2 ASP 36 -11.831 -8.870 3.500 258 HB3 ASP 36 HB3 ASP 36 -12.206 -8.479 1.828 259 H GLU 37 H GLU 37 -10.847 -6.394 0.554 260 HA GLU 37 HA GLU 37 -9.656 -7.823 -1.632 261 HB2 GLU 37 HB2 GLU 37 -10.653 -4.969 -1.553 262 HB3 GLU 37 HB3 GLU 37 -10.383 -5.943 -2.988 263 HG2 GLU 37 HG2 GLU 37 -12.390 -6.677 -0.885 264 HG3 GLU 37 HG3 GLU 37 -12.785 -5.647 -2.258 265 H LEU 38 H LEU 38 -9.001 -4.772 0.047 266 HA LEU 38 HA LEU 38 -6.609 -4.077 -1.223 267 HB2 LEU 38 HB2 LEU 38 -7.969 -2.595 0.234 268 HB3 LEU 38 HB3 LEU 38 -7.527 -3.548 1.622 269 HG LEU 38 HG LEU 38 -6.343 -1.260 1.099 270 HD11 LEU 38 HD11 LEU 38 -5.894 -2.815 2.975 271 HD12 LEU 38 HD12 LEU 38 -4.476 -1.945 2.384 272 HD13 LEU 38 HD13 LEU 38 -4.720 -3.637 1.941 273 HD21 LEU 38 HD21 LEU 38 -4.243 -1.563 -0.107 274 HD22 LEU 38 HD22 LEU 38 -5.639 -1.845 -1.148 275 HD23 LEU 38 HD23 LEU 38 -4.722 -3.212 -0.516 276 H ARG 39 H ARG 39 -7.342 -6.307 1.311 277 HA ARG 39 HA ARG 39 -4.636 -6.784 2.112 278 HB2 ARG 39 HB2 ARG 39 -6.842 -6.970 3.465 279 HB3 ARG 39 HB3 ARG 39 -7.000 -8.536 2.713 280 HG2 ARG 39 HG2 ARG 39 -4.550 -7.794 4.243 281 HG3 ARG 39 HG3 ARG 39 -5.991 -8.395 5.047 282 HD2 ARG 39 HD2 ARG 39 -5.885 -10.369 3.487 283 HD3 ARG 39 HD3 ARG 39 -4.275 -9.802 3.022 284 HE ARG 39 HE ARG 39 -4.646 -10.076 5.869 285 HH11 ARG 39 HH11 ARG 39 -3.645 -11.724 2.939 286 HH12 ARG 39 HH12 ARG 39 -2.754 -12.946 3.797 287 HH21 ARG 39 HH21 ARG 39 -3.470 -11.683 6.977 288 HH22 ARG 39 HH22 ARG 39 -2.638 -12.908 6.075 289 H SER 40 H SER 40 -7.122 -8.650 0.310 290 HA SER 40 HA SER 40 -5.496 -10.940 -0.014 291 HB2 SER 40 HB2 SER 40 -7.984 -10.932 -0.177 292 HB3 SER 40 HB3 SER 40 -7.845 -10.106 -1.728 293 HG SER 40 HG SER 40 -8.008 -12.257 -2.180 294 H LEU 41 H LEU 41 -6.047 -8.135 -2.083 295 HA LEU 41 HA LEU 41 -4.658 -9.023 -4.359 296 HB2 LEU 41 HB2 LEU 41 -6.192 -6.997 -3.993 297 HB3 LEU 41 HB3 LEU 41 -4.776 -6.199 -3.356 298 HG LEU 41 HG LEU 41 -5.598 -6.032 -5.910 299 HD11 LEU 41 HD11 LEU 41 -2.752 -5.901 -4.967 300 HD12 LEU 41 HD12 LEU 41 -3.952 -4.622 -4.803 301 HD13 LEU 41 HD13 LEU 41 -3.407 -5.123 -6.405 302 HD21 LEU 41 HD21 LEU 41 -5.138 -8.376 -6.397 303 HD22 LEU 41 HD22 LEU 41 -3.462 -8.164 -5.888 304 HD23 LEU 41 HD23 LEU 41 -4.066 -7.319 -7.317 305 H PHE 42 H PHE 42 -3.555 -7.384 -1.441 306 HA PHE 42 HA PHE 42 -0.837 -7.407 -2.366 307 HB2 PHE 42 HB2 PHE 42 -2.139 -6.597 0.222 308 HB3 PHE 42 HB3 PHE 42 -0.384 -6.654 0.046 309 HD1 PHE 42 HD1 PHE 42 0.715 -4.748 -0.691 310 HD2 PHE 42 HD2 PHE 42 -3.395 -5.292 -1.689 311 HE1 PHE 42 HE1 PHE 42 0.680 -2.533 -1.796 312 HE2 PHE 42 HE2 PHE 42 -3.415 -3.097 -2.786 313 HZ PHE 42 HZ PHE 42 -1.377 -1.737 -2.838 314 H SER 43 H SER 43 -2.900 -9.553 -0.619 315 HA SER 43 HA SER 43 -0.871 -11.223 0.440 316 HB2 SER 43 HB2 SER 43 -3.697 -11.950 -0.371 317 HB3 SER 43 HB3 SER 43 -2.673 -12.789 0.774 318 HG SER 43 HG SER 43 -3.369 -10.092 1.146 319 H SER 44 H SER 44 -2.302 -10.712 -2.644 320 HA SER 44 HA SER 44 -1.560 -13.138 -3.871 321 HB2 SER 44 HB2 SER 44 -3.226 -11.945 -4.987 322 HB3 SER 44 HB3 SER 44 -2.360 -10.413 -4.893 323 HG SER 44 HG SER 44 -1.395 -12.634 -6.381 324 H ILE 45 H ILE 45 0.070 -10.076 -3.351 325 HA ILE 45 HA ILE 45 2.472 -10.738 -4.691 326 HB ILE 45 HB ILE 45 1.853 -8.870 -2.413 327 HG12 ILE 45 HG12 ILE 45 1.220 -8.434 -4.857 328 HG13 ILE 45 HG13 ILE 45 2.108 -7.170 -4.010 329 HG21 ILE 45 HG21 ILE 45 4.106 -9.623 -1.978 330 HG22 ILE 45 HG22 ILE 45 4.165 -7.982 -2.633 331 HG23 ILE 45 HG23 ILE 45 4.557 -9.360 -3.661 332 HD11 ILE 45 HD11 ILE 45 3.460 -9.214 -5.724 333 HD12 ILE 45 HD12 ILE 45 4.093 -7.674 -5.123 334 HD13 ILE 45 HD13 ILE 45 2.827 -7.696 -6.352 335 H GLY 46 H GLY 46 1.401 -11.170 -1.336 336 HA2 GLY 46 HA2 GLY 46 2.804 -13.521 -0.855 337 HA3 GLY 46 HA3 GLY 46 3.871 -12.198 -0.410 338 H GLU 47 H GLU 47 3.869 -12.617 1.780 339 HA GLU 47 HA GLU 47 1.351 -12.953 3.148 340 HB2 GLU 47 HB2 GLU 47 4.214 -13.118 3.994 341 HB3 GLU 47 HB3 GLU 47 2.933 -13.025 5.196 342 HG2 GLU 47 HG2 GLU 47 1.957 -15.029 4.449 343 HG3 GLU 47 HG3 GLU 47 2.957 -15.056 3.002 344 H VAL 48 H VAL 48 0.226 -11.526 4.032 345 HA VAL 48 HA VAL 48 1.295 -8.802 4.359 346 HB VAL 48 HB VAL 48 -1.549 -9.768 4.032 347 HG11 VAL 48 HG11 VAL 48 -2.079 -7.305 3.926 348 HG12 VAL 48 HG12 VAL 48 -0.480 -7.025 4.625 349 HG13 VAL 48 HG13 VAL 48 -1.689 -7.941 5.522 350 HG21 VAL 48 HG21 VAL 48 0.178 -8.062 2.254 351 HG22 VAL 48 HG22 VAL 48 -1.485 -8.552 1.931 352 HG23 VAL 48 HG23 VAL 48 -0.201 -9.765 1.992 353 H GLU 49 H GLU 49 1.687 -8.090 6.198 354 HA GLU 49 HA GLU 49 1.335 -9.574 8.539 355 HB2 GLU 49 HB2 GLU 49 3.168 -8.019 7.956 356 HB3 GLU 49 HB3 GLU 49 2.066 -6.694 8.301 357 HG2 GLU 49 HG2 GLU 49 2.560 -8.857 10.293 358 HG3 GLU 49 HG3 GLU 49 3.681 -7.538 10.100 359 H SER 50 H SER 50 -0.118 -6.581 7.303 360 HA SER 50 HA SER 50 -2.679 -7.227 8.347 361 HB2 SER 50 HB2 SER 50 -2.860 -5.256 9.913 362 HB3 SER 50 HB3 SER 50 -1.818 -6.556 10.489 363 HG SER 50 HG SER 50 -0.036 -5.351 10.054 364 H ALA 51 H ALA 51 -4.177 -6.238 7.096 365 HA ALA 51 HA ALA 51 -3.286 -3.868 5.605 366 HB1 ALA 51 HB1 ALA 51 -3.496 -5.894 4.188 367 HB2 ALA 51 HB2 ALA 51 -4.518 -4.550 3.689 368 HB3 ALA 51 HB3 ALA 51 -5.224 -5.921 4.555 369 H LYS 52 H LYS 52 -4.363 -2.109 5.897 370 HA LYS 52 HA LYS 52 -6.983 -2.233 7.228 371 HB2 LYS 52 HB2 LYS 52 -5.116 -1.215 8.487 372 HB3 LYS 52 HB3 LYS 52 -4.868 -0.073 7.177 373 HG2 LYS 52 HG2 LYS 52 -7.326 0.594 7.628 374 HG3 LYS 52 HG3 LYS 52 -7.052 -0.184 9.191 375 HD2 LYS 52 HD2 LYS 52 -5.278 1.933 8.014 376 HD3 LYS 52 HD3 LYS 52 -6.568 2.261 9.173 377 HE2 LYS 52 HE2 LYS 52 -4.217 0.436 9.656 378 HE3 LYS 52 HE3 LYS 52 -4.318 2.107 10.206 379 HZ1 LYS 52 HZ1 LYS 52 -6.280 1.490 11.506 380 HZ2 LYS 52 HZ2 LYS 52 -4.916 0.610 11.972 381 HZ3 LYS 52 HZ3 LYS 52 -6.105 -0.121 11.020 382 H LEU 53 H LEU 53 -8.695 -1.349 6.204 383 HA LEU 53 HA LEU 53 -8.212 0.276 3.792 384 HB2 LEU 53 HB2 LEU 53 -9.505 -1.698 3.291 385 HB3 LEU 53 HB3 LEU 53 -10.585 -1.389 4.635 386 HG LEU 53 HG LEU 53 -10.869 0.897 3.171 387 HD11 LEU 53 HD11 LEU 53 -9.550 0.035 1.325 388 HD12 LEU 53 HD12 LEU 53 -11.248 0.194 0.856 389 HD13 LEU 53 HD13 LEU 53 -10.581 -1.402 1.228 390 HD21 LEU 53 HD21 LEU 53 -12.665 -0.328 4.176 391 HD22 LEU 53 HD22 LEU 53 -12.426 -1.677 3.069 392 HD23 LEU 53 HD23 LEU 53 -13.014 -0.131 2.458 393 H ILE 54 H ILE 54 -8.996 2.326 3.752 394 HA ILE 54 HA ILE 54 -10.001 3.297 6.328 395 HB ILE 54 HB ILE 54 -8.986 4.909 4.004 396 HG12 ILE 54 HG12 ILE 54 -7.181 3.515 4.814 397 HG13 ILE 54 HG13 ILE 54 -6.900 5.169 5.338 398 HG21 ILE 54 HG21 ILE 54 -10.468 6.113 5.537 399 HG22 ILE 54 HG22 ILE 54 -8.815 6.724 5.627 400 HG23 ILE 54 HG23 ILE 54 -9.433 5.658 6.891 401 HD11 ILE 54 HD11 ILE 54 -8.023 2.954 7.035 402 HD12 ILE 54 HD12 ILE 54 -7.686 4.603 7.565 403 HD13 ILE 54 HD13 ILE 54 -6.363 3.544 7.073 404 H ARG 55 H ARG 55 -12.090 3.612 6.516 405 HA ARG 55 HA ARG 55 -13.543 4.699 4.207 406 HB2 ARG 55 HB2 ARG 55 -14.782 2.901 6.292 407 HB3 ARG 55 HB3 ARG 55 -15.526 3.503 4.818 408 HG2 ARG 55 HG2 ARG 55 -13.623 2.203 3.635 409 HG3 ARG 55 HG3 ARG 55 -13.508 1.344 5.169 410 HD2 ARG 55 HD2 ARG 55 -16.007 1.634 3.502 411 HD3 ARG 55 HD3 ARG 55 -14.984 0.198 3.576 412 HE ARG 55 HE ARG 55 -15.779 0.835 6.183 413 HH11 ARG 55 HH11 ARG 55 -17.147 -0.297 3.178 414 HH12 ARG 55 HH12 ARG 55 -18.471 -1.123 3.929 415 HH21 ARG 55 HH21 ARG 55 -17.531 -0.263 7.195 416 HH22 ARG 55 HH22 ARG 55 -18.689 -1.106 6.216 417 H ASP 56 H ASP 56 -15.389 6.011 4.799 418 HA ASP 56 HA ASP 56 -14.642 7.973 6.663 419 HB2 ASP 56 HB2 ASP 56 -16.081 8.324 4.637 420 HB3 ASP 56 HB3 ASP 56 -17.392 7.572 5.527 421 H LYS 57 H LYS 57 -15.283 8.448 8.621 422 HA LYS 57 HA LYS 57 -16.026 6.473 10.427 423 HB2 LYS 57 HB2 LYS 57 -15.759 8.142 12.032 424 HB3 LYS 57 HB3 LYS 57 -14.616 8.500 10.766 425 HG2 LYS 57 HG2 LYS 57 -17.162 9.899 11.404 426 HG3 LYS 57 HG3 LYS 57 -15.536 10.538 11.468 427 HD2 LYS 57 HD2 LYS 57 -15.444 10.187 8.953 428 HD3 LYS 57 HD3 LYS 57 -17.186 9.883 9.018 429 HE2 LYS 57 HE2 LYS 57 -16.718 12.203 8.428 430 HE3 LYS 57 HE3 LYS 57 -17.531 12.099 9.988 431 HZ1 LYS 57 HZ1 LYS 57 -15.406 12.410 11.082 432 HZ2 LYS 57 HZ2 LYS 57 -15.716 13.694 10.025 433 HZ3 LYS 57 HZ3 LYS 57 -14.614 12.486 9.589 434 H VAL 58 H VAL 58 -17.968 8.229 8.385 435 HA VAL 58 HA VAL 58 -20.319 7.824 10.096 436 HB VAL 58 HB VAL 58 -19.527 10.277 8.547 437 HG11 VAL 58 HG11 VAL 58 -22.229 9.620 9.702 438 HG12 VAL 58 HG12 VAL 58 -21.834 9.877 8.002 439 HG13 VAL 58 HG13 VAL 58 -21.723 11.215 9.147 440 HG21 VAL 58 HG21 VAL 58 -18.800 9.783 10.928 441 HG22 VAL 58 HG22 VAL 58 -20.483 10.081 11.374 442 HG23 VAL 58 HG23 VAL 58 -19.533 11.354 10.605 443 H ALA 59 H ALA 59 -19.330 8.732 6.824 444 HA ALA 59 HA ALA 59 -21.735 7.709 5.683 445 HB1 ALA 59 HB1 ALA 59 -19.203 8.614 4.345 446 HB2 ALA 59 HB2 ALA 59 -20.614 9.614 4.693 447 HB3 ALA 59 HB3 ALA 59 -20.733 8.293 3.527 448 H GLY 60 H GLY 60 -18.917 6.315 6.684 449 HA2 GLY 60 HA2 GLY 60 -18.132 4.164 6.646 450 HA3 GLY 60 HA3 GLY 60 -19.756 3.714 6.166 451 H HIS 61 H HIS 61 -18.026 5.845 4.067 452 HA HIS 61 HA HIS 61 -17.758 3.596 2.188 453 HB2 HIS 61 HB2 HIS 61 -18.130 5.053 0.399 454 HB3 HIS 61 HB3 HIS 61 -19.190 5.707 1.637 455 HD1 HIS 61 HD1 HIS 61 -16.764 6.722 -0.770 456 HD2 HIS 61 HD2 HIS 61 -17.823 8.014 3.034 457 HE1 HIS 61 HE1 HIS 61 -15.851 9.056 -0.573 458 HE2 HIS 61 HE2 HIS 61 -16.376 9.767 1.786 459 H SER 62 H SER 62 -15.825 3.146 1.202 460 HA SER 62 HA SER 62 -13.485 3.748 2.550 461 HB2 SER 62 HB2 SER 62 -13.683 2.929 -0.354 462 HB3 SER 62 HB3 SER 62 -12.366 2.588 0.774 463 HG SER 62 HG SER 62 -13.730 0.776 0.572 464 H LEU 63 H LEU 63 -11.972 5.296 2.374 465 HA LEU 63 HA LEU 63 -12.753 7.662 0.871 466 HB2 LEU 63 HB2 LEU 63 -10.564 7.294 2.916 467 HB3 LEU 63 HB3 LEU 63 -11.096 8.824 2.244 468 HG LEU 63 HG LEU 63 -12.735 6.988 3.994 469 HD11 LEU 63 HD11 LEU 63 -11.547 9.705 4.516 470 HD12 LEU 63 HD12 LEU 63 -11.025 8.179 5.229 471 HD13 LEU 63 HD13 LEU 63 -12.624 8.826 5.603 472 HD21 LEU 63 HD21 LEU 63 -14.158 8.086 2.369 473 HD22 LEU 63 HD22 LEU 63 -13.442 9.647 2.764 474 HD23 LEU 63 HD23 LEU 63 -14.403 8.787 3.967 475 H GLY 64 H GLY 64 -11.136 5.064 0.019 476 HA2 GLY 64 HA2 GLY 64 -10.186 4.875 -2.108 477 HA3 GLY 64 HA3 GLY 64 -9.837 6.593 -2.079 478 H TYR 65 H TYR 65 -8.803 5.018 0.760 479 HA TYR 65 HA TYR 65 -6.290 4.154 -0.365 480 HB2 TYR 65 HB2 TYR 65 -4.845 5.635 0.829 481 HB3 TYR 65 HB3 TYR 65 -6.009 6.626 -0.035 482 HD1 TYR 65 HD1 TYR 65 -4.428 6.006 3.033 483 HD2 TYR 65 HD2 TYR 65 -8.066 7.424 1.356 484 HE1 TYR 65 HE1 TYR 65 -4.922 7.183 5.119 485 HE2 TYR 65 HE2 TYR 65 -8.575 8.607 3.442 486 HH TYR 65 HH TYR 65 -8.000 8.561 5.790 487 H GLY 66 H GLY 66 -4.826 3.237 1.289 488 HA2 GLY 66 HA2 GLY 66 -5.934 2.552 3.858 489 HA3 GLY 66 HA3 GLY 66 -5.911 1.212 2.726 490 H PHE 67 H PHE 67 -4.508 0.450 4.610 491 HA PHE 67 HA PHE 67 -1.697 1.029 3.993 492 HB2 PHE 67 HB2 PHE 67 -2.855 1.016 6.794 493 HB3 PHE 67 HB3 PHE 67 -1.144 1.107 6.408 494 HD1 PHE 67 HD1 PHE 67 -4.329 2.921 6.425 495 HD2 PHE 67 HD2 PHE 67 -0.151 3.155 5.656 496 HE1 PHE 67 HE1 PHE 67 -4.477 5.375 6.401 497 HE2 PHE 67 HE2 PHE 67 -0.293 5.611 5.626 498 HZ PHE 67 HZ PHE 67 -2.457 6.724 5.999 499 H VAL 68 H VAL 68 -1.039 -0.964 3.318 500 HA VAL 68 HA VAL 68 -1.715 -3.209 5.055 501 HB VAL 68 HB VAL 68 -2.513 -4.149 3.220 502 HG11 VAL 68 HG11 VAL 68 -2.601 -2.120 2.006 503 HG12 VAL 68 HG12 VAL 68 -2.060 -3.413 0.933 504 HG13 VAL 68 HG13 VAL 68 -0.894 -2.251 1.571 505 HG21 VAL 68 HG21 VAL 68 -0.911 -5.322 1.744 506 HG22 VAL 68 HG22 VAL 68 -0.544 -5.520 3.457 507 HG23 VAL 68 HG23 VAL 68 0.399 -4.394 2.476 508 H ASN 69 H ASN 69 -0.206 -3.602 6.398 509 HA ASN 69 HA ASN 69 2.586 -3.166 5.868 510 HB2 ASN 69 HB2 ASN 69 1.423 -2.925 8.133 511 HB3 ASN 69 HB3 ASN 69 1.382 -4.676 8.176 512 HD21 ASN 69 HD21 ASN 69 2.716 -4.903 9.896 513 HD22 ASN 69 HD22 ASN 69 4.406 -4.522 9.854 514 H TYR 70 H TYR 70 3.981 -4.653 5.107 515 HA TYR 70 HA TYR 70 3.011 -7.382 4.738 516 HB2 TYR 70 HB2 TYR 70 5.205 -5.729 3.555 517 HB3 TYR 70 HB3 TYR 70 5.383 -7.473 3.569 518 HD1 TYR 70 HD1 TYR 70 3.510 -8.851 2.518 519 HD2 TYR 70 HD2 TYR 70 4.023 -4.687 1.829 520 HE1 TYR 70 HE1 TYR 70 2.214 -9.045 0.446 521 HE2 TYR 70 HE2 TYR 70 2.716 -4.869 -0.239 522 HH TYR 70 HH TYR 70 1.021 -7.783 -1.086 523 H VAL 71 H VAL 71 4.522 -9.152 5.173 524 HA VAL 71 HA VAL 71 5.791 -8.850 7.754 525 HB VAL 71 HB VAL 71 6.207 -11.244 7.638 526 HG11 VAL 71 HG11 VAL 71 3.438 -10.536 6.664 527 HG12 VAL 71 HG12 VAL 71 3.991 -10.484 8.338 528 HG13 VAL 71 HG13 VAL 71 3.890 -12.030 7.489 529 HG21 VAL 71 HG21 VAL 71 5.115 -11.100 4.828 530 HG22 VAL 71 HG22 VAL 71 5.535 -12.575 5.700 531 HG23 VAL 71 HG23 VAL 71 6.793 -11.415 5.274 532 H THR 72 H THR 72 6.589 -8.470 4.551 533 HA THR 72 HA THR 72 9.480 -8.574 5.071 534 HB THR 72 HB THR 72 9.518 -9.030 2.494 535 HG1 THR 72 HG1 THR 72 7.684 -10.424 1.941 536 HG21 THR 72 HG21 THR 72 9.650 -11.420 2.859 537 HG22 THR 72 HG22 THR 72 8.813 -11.253 4.411 538 HG23 THR 72 HG23 THR 72 10.420 -10.556 4.194 539 H ALA 73 H ALA 73 10.646 -6.879 4.203 540 HA ALA 73 HA ALA 73 9.183 -4.694 2.975 541 HB1 ALA 73 HB1 ALA 73 11.360 -3.554 2.904 542 HB2 ALA 73 HB2 ALA 73 12.142 -5.020 3.492 543 HB3 ALA 73 HB3 ALA 73 10.995 -4.158 4.519 544 H LYS 74 H LYS 74 10.785 -7.509 2.138 545 HA LYS 74 HA LYS 74 11.602 -7.011 -0.510 546 HB2 LYS 74 HB2 LYS 74 12.440 -8.923 0.554 547 HB3 LYS 74 HB3 LYS 74 10.845 -9.450 1.058 548 HG2 LYS 74 HG2 LYS 74 10.983 -9.298 -1.797 549 HG3 LYS 74 HG3 LYS 74 12.289 -10.299 -1.157 550 HD2 LYS 74 HD2 LYS 74 10.826 -11.779 -0.132 551 HD3 LYS 74 HD3 LYS 74 9.489 -10.626 -0.154 552 HE2 LYS 74 HE2 LYS 74 9.459 -10.781 -2.616 553 HE3 LYS 74 HE3 LYS 74 10.702 -12.029 -2.526 554 HZ1 LYS 74 HZ1 LYS 74 7.931 -12.169 -1.467 555 HZ2 LYS 74 HZ2 LYS 74 9.125 -13.319 -1.110 556 HZ3 LYS 74 HZ3 LYS 74 8.606 -13.107 -2.705 557 H ASP 75 H ASP 75 8.595 -8.432 0.758 558 HA ASP 75 HA ASP 75 7.362 -8.428 -1.848 559 HB2 ASP 75 HB2 ASP 75 6.283 -9.010 0.917 560 HB3 ASP 75 HB3 ASP 75 5.290 -9.068 -0.535 561 H ALA 76 H ALA 76 7.711 -6.154 0.693 562 HA ALA 76 HA ALA 76 5.516 -4.470 0.130 563 HB1 ALA 76 HB1 ALA 76 7.019 -2.648 1.046 564 HB2 ALA 76 HB2 ALA 76 8.274 -3.877 1.207 565 HB3 ALA 76 HB3 ALA 76 6.765 -4.032 2.110 566 H GLU 77 H GLU 77 8.894 -4.265 -0.996 567 HA GLU 77 HA GLU 77 8.474 -2.377 -3.034 568 HB2 GLU 77 HB2 GLU 77 10.712 -2.899 -2.323 569 HB3 GLU 77 HB3 GLU 77 10.506 -4.597 -2.729 570 HG2 GLU 77 HG2 GLU 77 10.314 -3.981 -5.096 571 HG3 GLU 77 HG3 GLU 77 10.607 -2.298 -4.667 572 H ARG 78 H ARG 78 8.014 -5.849 -2.903 573 HA ARG 78 HA ARG 78 7.761 -6.307 -5.667 574 HB2 ARG 78 HB2 ARG 78 8.112 -8.032 -3.865 575 HB3 ARG 78 HB3 ARG 78 6.418 -7.828 -3.450 576 HG2 ARG 78 HG2 ARG 78 5.721 -8.666 -5.547 577 HG3 ARG 78 HG3 ARG 78 7.372 -8.670 -6.161 578 HD2 ARG 78 HD2 ARG 78 7.991 -10.379 -4.570 579 HD3 ARG 78 HD3 ARG 78 6.394 -10.314 -3.836 580 HE ARG 78 HE ARG 78 5.513 -11.211 -5.935 581 HH11 ARG 78 HH11 ARG 78 8.970 -11.481 -5.435 582 HH12 ARG 78 HH12 ARG 78 9.119 -12.927 -6.379 583 HH21 ARG 78 HH21 ARG 78 5.716 -13.096 -7.203 584 HH22 ARG 78 HH22 ARG 78 7.274 -13.834 -7.402 585 H ALA 79 H ALA 79 5.459 -5.487 -3.107 586 HA ALA 79 HA ALA 79 3.193 -5.567 -4.787 587 HB1 ALA 79 HB1 ALA 79 3.628 -4.132 -2.168 588 HB2 ALA 79 HB2 ALA 79 2.867 -5.706 -2.416 589 HB3 ALA 79 HB3 ALA 79 2.071 -4.238 -2.998 590 H ILE 80 H ILE 80 5.539 -3.062 -4.017 591 HA ILE 80 HA ILE 80 4.092 -0.979 -5.290 592 HB ILE 80 HB ILE 80 7.051 -1.100 -4.889 593 HG12 ILE 80 HG12 ILE 80 4.915 -0.020 -3.046 594 HG13 ILE 80 HG13 ILE 80 5.784 -1.530 -2.797 595 HG21 ILE 80 HG21 ILE 80 5.164 1.235 -5.111 596 HG22 ILE 80 HG22 ILE 80 6.215 0.650 -6.405 597 HG23 ILE 80 HG23 ILE 80 6.920 1.310 -4.922 598 HD11 ILE 80 HD11 ILE 80 7.854 -0.331 -2.574 599 HD12 ILE 80 HD12 ILE 80 6.658 0.291 -1.438 600 HD13 ILE 80 HD13 ILE 80 7.034 1.193 -2.907 601 H ASN 81 H ASN 81 6.545 -3.242 -6.481 602 HA ASN 81 HA ASN 81 6.569 -1.826 -9.001 603 HB2 ASN 81 HB2 ASN 81 8.143 -3.598 -9.743 604 HB3 ASN 81 HB3 ASN 81 8.669 -2.710 -8.316 605 HD21 ASN 81 HD21 ASN 81 9.945 -4.115 -7.344 606 HD22 ASN 81 HD22 ASN 81 9.471 -5.683 -6.796 607 H THR 82 H THR 82 5.025 -4.531 -7.592 608 HA THR 82 HA THR 82 4.076 -5.489 -10.141 609 HB THR 82 HB THR 82 3.794 -6.500 -7.332 610 HG1 THR 82 HG1 THR 82 5.765 -6.937 -8.301 611 HG21 THR 82 HG21 THR 82 1.706 -7.090 -8.307 612 HG22 THR 82 HG22 THR 82 2.721 -8.534 -8.392 613 HG23 THR 82 HG23 THR 82 2.468 -7.547 -9.833 614 H LEU 83 H LEU 83 2.509 -4.562 -7.056 615 HA LEU 83 HA LEU 83 -0.082 -4.639 -8.309 616 HB2 LEU 83 HB2 LEU 83 0.783 -3.999 -5.521 617 HB3 LEU 83 HB3 LEU 83 -0.863 -4.094 -6.043 618 HG LEU 83 HG LEU 83 1.108 -6.364 -5.961 619 HD11 LEU 83 HD11 LEU 83 -0.884 -7.176 -4.420 620 HD12 LEU 83 HD12 LEU 83 -1.112 -5.435 -4.224 621 HD13 LEU 83 HD13 LEU 83 0.427 -6.172 -3.796 622 HD21 LEU 83 HD21 LEU 83 -0.801 -7.785 -6.598 623 HD22 LEU 83 HD22 LEU 83 -0.330 -6.663 -7.876 624 HD23 LEU 83 HD23 LEU 83 -1.756 -6.333 -6.894 625 H ASN 84 H ASN 84 2.085 -2.150 -7.087 626 HA ASN 84 HA ASN 84 0.277 -0.028 -7.114 627 HB2 ASN 84 HB2 ASN 84 2.462 0.253 -6.171 628 HB3 ASN 84 HB3 ASN 84 3.234 -0.119 -7.709 629 HD21 ASN 84 HD21 ASN 84 4.394 1.811 -7.482 630 HD22 ASN 84 HD22 ASN 84 3.680 3.338 -7.841 631 H GLY 85 H GLY 85 -1.036 0.523 -8.664 632 HA2 GLY 85 HA2 GLY 85 -1.612 1.229 -10.838 633 HA3 GLY 85 HA3 GLY 85 -0.184 0.435 -11.466 634 H LEU 86 H LEU 86 -2.008 -1.415 -9.202 635 HA LEU 86 HA LEU 86 -2.822 -3.266 -11.280 636 HB2 LEU 86 HB2 LEU 86 -2.022 -3.619 -8.730 637 HB3 LEU 86 HB3 LEU 86 -3.750 -3.572 -8.470 638 HG LEU 86 HG LEU 86 -2.903 -5.861 -8.633 639 HD11 LEU 86 HD11 LEU 86 -5.191 -5.449 -9.308 640 HD12 LEU 86 HD12 LEU 86 -4.466 -6.720 -10.296 641 HD13 LEU 86 HD13 LEU 86 -4.657 -5.094 -10.951 642 HD21 LEU 86 HD21 LEU 86 -1.019 -5.452 -10.126 643 HD22 LEU 86 HD22 LEU 86 -2.134 -5.131 -11.454 644 HD23 LEU 86 HD23 LEU 86 -2.055 -6.740 -10.739 645 H ARG 87 H ARG 87 -4.889 -3.676 -11.956 646 HA ARG 87 HA ARG 87 -6.861 -1.645 -11.421 647 HB2 ARG 87 HB2 ARG 87 -6.878 -4.094 -13.179 648 HB3 ARG 87 HB3 ARG 87 -8.251 -3.004 -13.029 649 HG2 ARG 87 HG2 ARG 87 -5.515 -2.129 -13.897 650 HG3 ARG 87 HG3 ARG 87 -6.798 -2.602 -15.014 651 HD2 ARG 87 HD2 ARG 87 -8.216 -0.822 -14.162 652 HD3 ARG 87 HD3 ARG 87 -6.983 -0.381 -12.983 653 HE ARG 87 HE ARG 87 -5.678 -0.177 -15.341 654 HH11 ARG 87 HH11 ARG 87 -8.703 1.132 -14.156 655 HH12 ARG 87 HH12 ARG 87 -8.597 2.577 -15.109 656 HH21 ARG 87 HH21 ARG 87 -5.534 1.726 -16.589 657 HH22 ARG 87 HH22 ARG 87 -6.792 2.914 -16.498 658 H LEU 88 H LEU 88 -7.323 -1.969 -9.229 659 HA LEU 88 HA LEU 88 -8.587 -4.452 -8.418 660 HB2 LEU 88 HB2 LEU 88 -7.557 -2.050 -7.096 661 HB3 LEU 88 HB3 LEU 88 -9.049 -2.663 -6.406 662 HG LEU 88 HG LEU 88 -6.563 -4.325 -6.802 663 HD11 LEU 88 HD11 LEU 88 -6.123 -4.063 -4.493 664 HD12 LEU 88 HD12 LEU 88 -7.646 -3.212 -4.233 665 HD13 LEU 88 HD13 LEU 88 -6.355 -2.439 -5.147 666 HD21 LEU 88 HD21 LEU 88 -8.598 -5.630 -6.807 667 HD22 LEU 88 HD22 LEU 88 -9.159 -4.810 -5.349 668 HD23 LEU 88 HD23 LEU 88 -7.748 -5.869 -5.277 669 H GLN 89 H GLN 89 -10.600 -4.775 -9.102 670 HA GLN 89 HA GLN 89 -12.760 -4.411 -9.729 671 HB2 GLN 89 HB2 GLN 89 -12.510 -2.256 -7.663 672 HB3 GLN 89 HB3 GLN 89 -14.037 -2.797 -8.342 673 HG2 GLN 89 HG2 GLN 89 -13.631 -5.035 -7.424 674 HG3 GLN 89 HG3 GLN 89 -12.117 -4.460 -6.731 675 HE21 GLN 89 HE21 GLN 89 -13.219 -1.869 -6.047 676 HE22 GLN 89 HE22 GLN 89 -14.237 -2.110 -4.677 677 H SER 90 H SER 90 -10.726 -3.189 -11.198 678 HA SER 90 HA SER 90 -10.680 -2.062 -13.187 679 HB2 SER 90 HB2 SER 90 -13.240 -2.127 -13.025 680 HB3 SER 90 HB3 SER 90 -13.118 -0.485 -12.413 681 HG SER 90 HG SER 90 -12.386 -1.481 -14.958 682 H LYS 91 H LYS 91 -10.664 -0.810 -10.134 683 HA LYS 91 HA LYS 91 -9.877 1.902 -10.880 684 HB2 LYS 91 HB2 LYS 91 -11.134 0.767 -8.647 685 HB3 LYS 91 HB3 LYS 91 -9.537 1.227 -8.085 686 HG2 LYS 91 HG2 LYS 91 -11.444 3.083 -9.453 687 HG3 LYS 91 HG3 LYS 91 -11.216 2.958 -7.713 688 HD2 LYS 91 HD2 LYS 91 -8.664 3.243 -8.539 689 HD3 LYS 91 HD3 LYS 91 -9.518 4.209 -9.745 690 HE2 LYS 91 HE2 LYS 91 -10.756 5.120 -7.626 691 HE3 LYS 91 HE3 LYS 91 -9.296 4.584 -6.806 692 HZ1 LYS 91 HZ1 LYS 91 -9.382 6.469 -9.096 693 HZ2 LYS 91 HZ2 LYS 91 -7.987 5.953 -8.299 694 HZ3 LYS 91 HZ3 LYS 91 -9.128 6.899 -7.482 695 H THR 92 H THR 92 -7.787 2.641 -10.845 696 HA THR 92 HA THR 92 -5.721 0.624 -10.445 697 HB THR 92 HB THR 92 -4.800 3.265 -11.264 698 HG1 THR 92 HG1 THR 92 -5.872 3.385 -13.174 699 HG21 THR 92 HG21 THR 92 -4.595 0.515 -12.494 700 HG22 THR 92 HG22 THR 92 -3.424 1.248 -11.398 701 HG23 THR 92 HG23 THR 92 -3.681 1.934 -13.004 702 H ILE 93 H ILE 93 -4.570 0.524 -8.681 703 HA ILE 93 HA ILE 93 -4.829 2.635 -6.685 704 HB ILE 93 HB ILE 93 -4.131 0.976 -5.095 705 HG12 ILE 93 HG12 ILE 93 -3.597 -0.732 -7.537 706 HG13 ILE 93 HG13 ILE 93 -2.411 -0.158 -6.370 707 HG21 ILE 93 HG21 ILE 93 -6.479 1.021 -6.031 708 HG22 ILE 93 HG22 ILE 93 -5.992 -0.484 -5.242 709 HG23 ILE 93 HG23 ILE 93 -6.016 -0.378 -7.005 710 HD11 ILE 93 HD11 ILE 93 -4.586 -2.165 -5.899 711 HD12 ILE 93 HD12 ILE 93 -3.512 -1.537 -4.649 712 HD13 ILE 93 HD13 ILE 93 -2.853 -2.472 -5.991 713 H LYS 94 H LYS 94 -2.891 3.053 -5.288 714 HA LYS 94 HA LYS 94 -0.358 2.684 -6.715 715 HB2 LYS 94 HB2 LYS 94 -1.176 4.987 -7.190 716 HB3 LYS 94 HB3 LYS 94 -1.163 5.319 -5.464 717 HG2 LYS 94 HG2 LYS 94 1.220 5.006 -5.371 718 HG3 LYS 94 HG3 LYS 94 1.252 4.507 -7.065 719 HD2 LYS 94 HD2 LYS 94 0.391 7.226 -6.080 720 HD3 LYS 94 HD3 LYS 94 1.969 6.843 -6.772 721 HE2 LYS 94 HE2 LYS 94 0.890 6.185 -8.865 722 HE3 LYS 94 HE3 LYS 94 -0.686 6.568 -8.176 723 HZ1 LYS 94 HZ1 LYS 94 0.121 8.365 -9.558 724 HZ2 LYS 94 HZ2 LYS 94 1.527 8.500 -8.624 725 HZ3 LYS 94 HZ3 LYS 94 0.023 8.870 -7.950 726 H VAL 95 H VAL 95 0.806 1.496 -5.421 727 HA VAL 95 HA VAL 95 0.471 1.774 -2.536 728 HB VAL 95 HB VAL 95 0.670 -0.415 -2.335 729 HG11 VAL 95 HG11 VAL 95 0.560 -0.430 -5.327 730 HG12 VAL 95 HG12 VAL 95 -0.822 -0.291 -4.241 731 HG13 VAL 95 HG13 VAL 95 0.140 -1.774 -4.267 732 HG21 VAL 95 HG21 VAL 95 2.415 -1.742 -3.629 733 HG22 VAL 95 HG22 VAL 95 2.967 -0.569 -2.434 734 HG23 VAL 95 HG23 VAL 95 3.008 -0.163 -4.145 735 H SER 96 H SER 96 2.237 1.946 -1.173 736 HA SER 96 HA SER 96 4.923 2.248 -2.108 737 HB2 SER 96 HB2 SER 96 3.280 4.678 -1.371 738 HB3 SER 96 HB3 SER 96 5.040 4.669 -1.360 739 HG SER 96 HG SER 96 3.733 3.763 -3.667 740 H TYR 97 H TYR 97 6.349 2.931 -0.224 741 HA TYR 97 HA TYR 97 5.585 1.657 2.198 742 HB2 TYR 97 HB2 TYR 97 7.681 3.787 2.218 743 HB3 TYR 97 HB3 TYR 97 7.660 2.235 3.041 744 HD1 TYR 97 HD1 TYR 97 9.124 4.073 0.505 745 HD2 TYR 97 HD2 TYR 97 7.750 0.141 1.362 746 HE1 TYR 97 HE1 TYR 97 10.624 3.201 -1.215 747 HE2 TYR 97 HE2 TYR 97 9.244 -0.769 -0.368 748 HH TYR 97 HH TYR 97 11.755 1.080 -1.760 749 H ALA 98 H ALA 98 4.127 2.406 3.592 750 HA ALA 98 HA ALA 98 3.432 5.192 3.702 751 HB1 ALA 98 HB1 ALA 98 1.787 4.584 5.251 752 HB2 ALA 98 HB2 ALA 98 2.715 3.205 5.838 753 HB3 ALA 98 HB3 ALA 98 1.936 3.131 4.258 754 H ARG 99 H ARG 99 4.176 6.692 5.165 755 HA ARG 99 HA ARG 99 6.784 6.663 5.884 756 HB2 ARG 99 HB2 ARG 99 4.551 8.130 7.280 757 HB3 ARG 99 HB3 ARG 99 6.257 8.490 7.484 758 HG2 ARG 99 HG2 ARG 99 6.411 9.013 5.086 759 HG3 ARG 99 HG3 ARG 99 4.676 8.720 4.936 760 HD2 ARG 99 HD2 ARG 99 4.226 10.506 6.534 761 HD3 ARG 99 HD3 ARG 99 5.958 10.783 6.722 762 HE ARG 99 HE ARG 99 4.991 11.004 4.003 763 HH11 ARG 99 HH11 ARG 99 5.616 12.689 7.016 764 HH12 ARG 99 HH12 ARG 99 5.731 14.246 6.264 765 HH21 ARG 99 HH21 ARG 99 5.146 13.043 3.022 766 HH22 ARG 99 HH22 ARG 99 5.465 14.451 3.985 767 HA PRO 100 HA PRO 100 6.691 3.897 9.461 768 HB2 PRO 100 HB2 PRO 100 9.521 3.578 9.064 769 HB3 PRO 100 HB3 PRO 100 8.244 2.396 8.798 770 HG2 PRO 100 HG2 PRO 100 9.734 3.489 6.783 771 HG3 PRO 100 HG3 PRO 100 8.086 2.866 6.569 772 HD2 PRO 100 HD2 PRO 100 9.016 5.692 6.926 773 HD3 PRO 100 HD3 PRO 100 7.780 5.043 5.826 774 H SER 101 H SER 101 6.563 5.062 11.248 775 HA SER 101 HA SER 101 8.587 5.958 12.749 776 HB2 SER 101 HB2 SER 101 8.841 7.618 10.876 777 HB3 SER 101 HB3 SER 101 7.303 8.306 11.374 778 HG SER 101 HG SER 101 9.201 7.976 13.370 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 11.105 3.807 -16.054 2 H2 GLY 1 H2 GLY 1 12.201 2.593 -16.482 3 H3 GLY 1 H3 GLY 1 10.838 2.213 -15.557 4 HA2 GLY 1 HA2 GLY 1 10.806 3.183 -18.359 5 HA3 GLY 1 HA3 GLY 1 10.546 1.522 -17.853 6 H HIS 2 H HIS 2 8.467 1.538 -18.818 7 HA HIS 2 HA HIS 2 6.467 3.384 -17.900 8 HB2 HIS 2 HB2 HIS 2 6.386 2.317 -20.151 9 HB3 HIS 2 HB3 HIS 2 6.099 0.766 -19.375 10 HD1 HIS 2 HD1 HIS 2 4.444 4.105 -19.970 11 HD2 HIS 2 HD2 HIS 2 3.486 0.284 -18.638 12 HE1 HIS 2 HE1 HIS 2 1.934 4.048 -19.821 13 HE2 HIS 2 HE2 HIS 2 1.397 1.791 -18.842 14 H MET 3 H MET 3 6.688 3.143 -15.663 15 HA MET 3 HA MET 3 5.097 0.977 -14.552 16 HB2 MET 3 HB2 MET 3 7.414 0.138 -14.456 17 HB3 MET 3 HB3 MET 3 7.908 1.599 -13.614 18 HG2 MET 3 HG2 MET 3 6.530 1.009 -11.717 19 HG3 MET 3 HG3 MET 3 5.939 -0.418 -12.565 20 HE1 MET 3 HE1 MET 3 9.631 1.012 -12.536 21 HE2 MET 3 HE2 MET 3 10.313 0.125 -11.173 22 HE3 MET 3 HE3 MET 3 9.042 1.317 -10.902 23 H SER 4 H SER 4 3.684 1.877 -13.185 24 HA SER 4 HA SER 4 3.892 4.616 -12.418 25 HB2 SER 4 HB2 SER 4 1.980 2.528 -11.351 26 HB3 SER 4 HB3 SER 4 1.759 4.277 -11.336 27 HG SER 4 HG SER 4 0.924 4.100 -13.242 28 H ASN 5 H ASN 5 5.877 4.665 -11.255 29 HA ASN 5 HA ASN 5 5.708 3.431 -8.580 30 HB2 ASN 5 HB2 ASN 5 7.455 2.515 -10.220 31 HB3 ASN 5 HB3 ASN 5 8.292 4.048 -10.001 32 HD21 ASN 5 HD21 ASN 5 6.488 2.314 -7.547 33 HD22 ASN 5 HD22 ASN 5 7.851 1.941 -6.549 34 H GLY 6 H GLY 6 6.093 6.303 -10.379 35 HA2 GLY 6 HA2 GLY 6 7.523 7.811 -8.409 36 HA3 GLY 6 HA3 GLY 6 6.732 8.446 -9.843 37 H TYR 7 H TYR 7 6.183 7.322 -6.558 38 HA TYR 7 HA TYR 7 3.963 9.237 -6.355 39 HB2 TYR 7 HB2 TYR 7 3.957 6.380 -5.346 40 HB3 TYR 7 HB3 TYR 7 2.777 7.594 -4.887 41 HD1 TYR 7 HD1 TYR 7 0.879 8.046 -6.250 42 HD2 TYR 7 HD2 TYR 7 4.101 5.698 -7.787 43 HE1 TYR 7 HE1 TYR 7 -0.477 7.464 -8.215 44 HE2 TYR 7 HE2 TYR 7 2.740 5.122 -9.749 45 HH TYR 7 HH TYR 7 -0.124 6.720 -10.550 46 H GLU 8 H GLU 8 6.730 9.366 -5.644 47 HA GLU 8 HA GLU 8 8.085 10.143 -4.023 48 HB2 GLU 8 HB2 GLU 8 5.459 10.698 -2.651 49 HB3 GLU 8 HB3 GLU 8 7.017 11.158 -1.977 50 HG2 GLU 8 HG2 GLU 8 6.055 13.056 -3.055 51 HG3 GLU 8 HG3 GLU 8 7.451 12.521 -3.985 52 H ASP 9 H ASP 9 8.101 10.017 -1.311 53 HA ASP 9 HA ASP 9 8.513 8.715 0.493 54 HB2 ASP 9 HB2 ASP 9 6.361 7.680 0.314 55 HB3 ASP 9 HB3 ASP 9 6.886 6.686 -1.039 56 H HIS 10 H HIS 10 9.555 8.122 -2.561 57 HA HIS 10 HA HIS 10 12.102 7.177 -1.810 58 HB2 HIS 10 HB2 HIS 10 11.930 4.934 -3.021 59 HB3 HIS 10 HB3 HIS 10 11.156 5.021 -1.450 60 HD1 HIS 10 HD1 HIS 10 10.112 5.394 -5.103 61 HD2 HIS 10 HD2 HIS 10 8.637 4.079 -1.448 62 HE1 HIS 10 HE1 HIS 10 7.800 4.524 -5.581 63 HE2 HIS 10 HE2 HIS 10 6.865 3.936 -3.321 64 H MET 11 H MET 11 11.536 9.298 -3.194 65 HA MET 11 HA MET 11 11.867 8.593 -6.036 66 HB2 MET 11 HB2 MET 11 10.532 10.340 -6.651 67 HB3 MET 11 HB3 MET 11 9.844 10.041 -5.067 68 HG2 MET 11 HG2 MET 11 11.796 12.197 -5.830 69 HG3 MET 11 HG3 MET 11 10.105 12.394 -5.393 70 HE1 MET 11 HE1 MET 11 9.183 12.012 -2.853 71 HE2 MET 11 HE2 MET 11 10.244 11.532 -1.526 72 HE3 MET 11 HE3 MET 11 9.910 10.404 -2.836 73 H ALA 12 H ALA 12 13.463 9.608 -3.365 74 HA ALA 12 HA ALA 12 15.460 11.101 -4.913 75 HB1 ALA 12 HB1 ALA 12 14.345 11.837 -2.207 76 HB2 ALA 12 HB2 ALA 12 14.135 12.726 -3.716 77 HB3 ALA 12 HB3 ALA 12 15.733 12.616 -2.971 78 H GLU 13 H GLU 13 14.987 9.907 -1.580 79 HA GLU 13 HA GLU 13 17.060 8.052 -1.526 80 HB2 GLU 13 HB2 GLU 13 18.836 9.320 -0.364 81 HB3 GLU 13 HB3 GLU 13 18.575 9.910 -2.000 82 HG2 GLU 13 HG2 GLU 13 17.205 11.746 -1.073 83 HG3 GLU 13 HG3 GLU 13 17.601 11.178 0.548 84 H ASP 14 H ASP 14 18.006 8.165 0.985 85 HA ASP 14 HA ASP 14 17.489 7.710 3.156 86 HB2 ASP 14 HB2 ASP 14 15.223 9.627 2.672 87 HB3 ASP 14 HB3 ASP 14 15.687 8.997 4.242 88 H CYS 15 H CYS 15 14.174 8.402 2.463 89 HA CYS 15 HA CYS 15 12.325 7.166 2.117 90 HB2 CYS 15 HB2 CYS 15 14.384 5.106 1.447 91 HB3 CYS 15 HB3 CYS 15 12.657 4.880 1.162 92 HG CYS 15 HG CYS 15 14.880 6.171 -0.805 93 H ARG 16 H ARG 16 14.591 4.782 3.494 94 HA ARG 16 HA ARG 16 12.708 3.604 5.263 95 HB2 ARG 16 HB2 ARG 16 15.731 3.622 5.217 96 HB3 ARG 16 HB3 ARG 16 14.812 2.750 6.430 97 HG2 ARG 16 HG2 ARG 16 15.450 1.199 4.765 98 HG3 ARG 16 HG3 ARG 16 13.722 1.482 4.583 99 HD2 ARG 16 HD2 ARG 16 14.233 3.092 2.761 100 HD3 ARG 16 HD3 ARG 16 15.939 2.677 2.916 101 HE ARG 16 HE ARG 16 14.373 0.351 2.488 102 HH11 ARG 16 HH11 ARG 16 15.797 3.098 0.848 103 HH12 ARG 16 HH12 ARG 16 15.751 2.354 -0.718 104 HH21 ARG 16 HH21 ARG 16 14.349 -0.649 0.418 105 HH22 ARG 16 HH22 ARG 16 14.959 0.218 -0.954 106 H GLY 17 H GLY 17 11.895 4.375 7.081 107 HA2 GLY 17 HA2 GLY 17 12.710 6.635 8.479 108 HA3 GLY 17 HA3 GLY 17 11.816 5.287 9.184 109 H ASP 18 H ASP 18 13.849 3.368 8.523 110 HA ASP 18 HA ASP 18 16.457 3.884 9.163 111 HB2 ASP 18 HB2 ASP 18 15.701 4.699 11.378 112 HB3 ASP 18 HB3 ASP 18 14.946 3.139 11.686 113 H ILE 19 H ILE 19 13.729 1.895 9.493 114 HA ILE 19 HA ILE 19 14.962 -0.592 10.024 115 HB ILE 19 HB ILE 19 12.473 -1.218 9.269 116 HG12 ILE 19 HG12 ILE 19 12.156 1.598 10.213 117 HG13 ILE 19 HG13 ILE 19 12.357 1.252 8.517 118 HG21 ILE 19 HG21 ILE 19 13.439 -1.434 11.521 119 HG22 ILE 19 HG22 ILE 19 11.777 -0.840 11.541 120 HG23 ILE 19 HG23 ILE 19 13.114 0.280 11.774 121 HD11 ILE 19 HD11 ILE 19 10.368 -0.315 8.797 122 HD12 ILE 19 HD12 ILE 19 10.079 1.423 8.784 123 HD13 ILE 19 HD13 ILE 19 10.096 0.539 10.317 124 H GLY 20 H GLY 20 12.778 0.197 7.422 125 HA2 GLY 20 HA2 GLY 20 13.961 -0.495 5.105 126 HA3 GLY 20 HA3 GLY 20 13.636 -2.056 5.860 127 H ARG 21 H ARG 21 11.432 -0.893 7.322 128 HA ARG 21 HA ARG 21 9.241 -0.703 7.334 129 HB2 ARG 21 HB2 ARG 21 8.804 0.673 4.853 130 HB3 ARG 21 HB3 ARG 21 8.440 1.157 6.489 131 HG2 ARG 21 HG2 ARG 21 9.958 2.753 6.125 132 HG3 ARG 21 HG3 ARG 21 11.153 1.482 6.426 133 HD2 ARG 21 HD2 ARG 21 11.897 1.794 4.361 134 HD3 ARG 21 HD3 ARG 21 10.377 1.171 3.764 135 HE ARG 21 HE ARG 21 9.939 3.845 4.328 136 HH11 ARG 21 HH11 ARG 21 12.033 2.010 2.214 137 HH12 ARG 21 HH12 ARG 21 11.924 3.136 0.902 138 HH21 ARG 21 HH21 ARG 21 9.751 5.324 2.600 139 HH22 ARG 21 HH22 ARG 21 10.618 5.040 1.126 140 H THR 22 H THR 22 8.010 -2.363 7.177 141 HA THR 22 HA THR 22 7.611 -3.638 4.575 142 HB THR 22 HB THR 22 6.559 -5.474 5.904 143 HG1 THR 22 HG1 THR 22 5.960 -4.189 7.744 144 HG21 THR 22 HG21 THR 22 8.628 -6.339 6.854 145 HG22 THR 22 HG22 THR 22 9.335 -4.725 6.829 146 HG23 THR 22 HG23 THR 22 8.952 -5.541 5.313 147 H ASN 23 H ASN 23 6.240 -1.485 6.769 148 HA ASN 23 HA ASN 23 3.455 -1.995 6.350 149 HB2 ASN 23 HB2 ASN 23 4.610 -0.660 8.258 150 HB3 ASN 23 HB3 ASN 23 4.651 0.668 7.098 151 HD21 ASN 23 HD21 ASN 23 2.046 -1.671 7.268 152 HD22 ASN 23 HD22 ASN 23 0.851 -0.576 7.854 153 H LEU 24 H LEU 24 2.368 -1.564 4.507 154 HA LEU 24 HA LEU 24 3.480 0.491 2.723 155 HB2 LEU 24 HB2 LEU 24 2.667 -2.195 2.253 156 HB3 LEU 24 HB3 LEU 24 1.563 -1.140 1.393 157 HG LEU 24 HG LEU 24 3.359 -0.170 0.131 158 HD11 LEU 24 HD11 LEU 24 5.099 -0.022 1.754 159 HD12 LEU 24 HD12 LEU 24 5.686 -1.028 0.429 160 HD13 LEU 24 HD13 LEU 24 5.151 -1.774 1.936 161 HD21 LEU 24 HD21 LEU 24 2.451 -2.317 -0.609 162 HD22 LEU 24 HD22 LEU 24 3.730 -3.145 0.280 163 HD23 LEU 24 HD23 LEU 24 4.134 -2.095 -1.078 164 H ILE 25 H ILE 25 2.444 2.306 2.777 165 HA ILE 25 HA ILE 25 -0.369 2.461 3.427 166 HB ILE 25 HB ILE 25 1.199 4.256 4.146 167 HG12 ILE 25 HG12 ILE 25 -1.113 4.945 2.342 168 HG13 ILE 25 HG13 ILE 25 -1.107 4.736 4.092 169 HG21 ILE 25 HG21 ILE 25 2.642 4.277 2.170 170 HG22 ILE 25 HG22 ILE 25 2.029 5.885 2.564 171 HG23 ILE 25 HG23 ILE 25 1.324 4.977 1.226 172 HD11 ILE 25 HD11 ILE 25 0.268 6.963 2.616 173 HD12 ILE 25 HD12 ILE 25 0.160 6.766 4.365 174 HD13 ILE 25 HD13 ILE 25 -1.298 7.080 3.419 175 H VAL 26 H VAL 26 -1.944 2.329 1.969 176 HA VAL 26 HA VAL 26 -1.177 2.590 -0.871 177 HB VAL 26 HB VAL 26 -3.450 0.904 0.165 178 HG11 VAL 26 HG11 VAL 26 -3.328 -0.096 -2.067 179 HG12 VAL 26 HG12 VAL 26 -2.007 0.996 -2.485 180 HG13 VAL 26 HG13 VAL 26 -3.617 1.641 -2.164 181 HG21 VAL 26 HG21 VAL 26 -1.345 0.059 1.052 182 HG22 VAL 26 HG22 VAL 26 -0.652 0.073 -0.570 183 HG23 VAL 26 HG23 VAL 26 -1.983 -1.019 -0.191 184 H ASN 27 H ASN 27 -1.846 4.471 -1.512 185 HA ASN 27 HA ASN 27 -4.223 5.696 -0.363 186 HB2 ASN 27 HB2 ASN 27 -1.823 6.764 -1.112 187 HB3 ASN 27 HB3 ASN 27 -2.804 7.106 -2.528 188 HD21 ASN 27 HD21 ASN 27 -2.080 7.956 0.666 189 HD22 ASN 27 HD22 ASN 27 -3.260 9.202 0.867 190 H TYR 28 H TYR 28 -5.594 6.912 -1.950 191 HA TYR 28 HA TYR 28 -7.041 7.003 -3.679 192 HB2 TYR 28 HB2 TYR 28 -4.925 5.602 -5.301 193 HB3 TYR 28 HB3 TYR 28 -6.172 6.689 -5.882 194 HD1 TYR 28 HD1 TYR 28 -2.888 6.568 -5.746 195 HD2 TYR 28 HD2 TYR 28 -5.961 8.973 -4.064 196 HE1 TYR 28 HE1 TYR 28 -1.274 8.401 -5.457 197 HE2 TYR 28 HE2 TYR 28 -4.361 10.820 -3.775 198 HH TYR 28 HH TYR 28 -1.303 10.855 -5.254 199 H LEU 29 H LEU 29 -7.027 4.640 -1.944 200 HA LEU 29 HA LEU 29 -7.811 2.361 -3.456 201 HB2 LEU 29 HB2 LEU 29 -8.613 3.221 -0.666 202 HB3 LEU 29 HB3 LEU 29 -8.943 1.648 -1.364 203 HG LEU 29 HG LEU 29 -6.279 2.801 -0.578 204 HD11 LEU 29 HD11 LEU 29 -6.153 0.840 0.828 205 HD12 LEU 29 HD12 LEU 29 -7.694 0.257 0.199 206 HD13 LEU 29 HD13 LEU 29 -7.635 1.731 1.168 207 HD21 LEU 29 HD21 LEU 29 -5.316 0.686 -1.456 208 HD22 LEU 29 HD22 LEU 29 -5.904 1.785 -2.703 209 HD23 LEU 29 HD23 LEU 29 -6.857 0.370 -2.254 210 HA PRO 30 HA PRO 30 -11.788 3.637 -4.959 211 HB2 PRO 30 HB2 PRO 30 -12.709 0.906 -4.283 212 HB3 PRO 30 HB3 PRO 30 -12.715 1.743 -5.833 213 HG2 PRO 30 HG2 PRO 30 -10.987 -0.245 -5.277 214 HG3 PRO 30 HG3 PRO 30 -10.572 1.106 -6.342 215 HD2 PRO 30 HD2 PRO 30 -9.732 0.565 -3.549 216 HD3 PRO 30 HD3 PRO 30 -8.857 1.388 -4.855 217 H GLN 31 H GLN 31 -13.654 4.401 -4.032 218 HA GLN 31 HA GLN 31 -13.613 4.727 -1.231 219 HB2 GLN 31 HB2 GLN 31 -15.783 5.396 -3.213 220 HB3 GLN 31 HB3 GLN 31 -15.707 5.975 -1.556 221 HG2 GLN 31 HG2 GLN 31 -13.639 6.522 -3.664 222 HG3 GLN 31 HG3 GLN 31 -14.934 7.628 -3.210 223 HE21 GLN 31 HE21 GLN 31 -11.903 6.226 -2.302 224 HE22 GLN 31 HE22 GLN 31 -11.594 7.259 -0.953 225 H ASN 32 H ASN 32 -14.966 2.277 -3.160 226 HA ASN 32 HA ASN 32 -16.805 1.491 -1.003 227 HB2 ASN 32 HB2 ASN 32 -18.071 0.270 -2.681 228 HB3 ASN 32 HB3 ASN 32 -17.890 1.947 -3.175 229 HD21 ASN 32 HD21 ASN 32 -18.441 -0.416 -4.785 230 HD22 ASN 32 HD22 ASN 32 -17.176 -0.499 -5.961 231 H MET 33 H MET 33 -13.770 0.821 -1.874 232 HA MET 33 HA MET 33 -13.915 -2.037 -2.207 233 HB2 MET 33 HB2 MET 33 -12.047 -0.170 -2.856 234 HB3 MET 33 HB3 MET 33 -11.344 -0.860 -1.400 235 HG2 MET 33 HG2 MET 33 -11.504 -3.088 -2.385 236 HG3 MET 33 HG3 MET 33 -12.210 -2.397 -3.833 237 HE1 MET 33 HE1 MET 33 -7.959 -1.218 -2.517 238 HE2 MET 33 HE2 MET 33 -8.894 -2.383 -1.574 239 HE3 MET 33 HE3 MET 33 -9.452 -0.712 -1.722 240 H THR 34 H THR 34 -12.538 -3.460 -0.717 241 HA THR 34 HA THR 34 -13.250 -2.792 2.064 242 HB THR 34 HB THR 34 -13.747 -5.094 2.482 243 HG1 THR 34 HG1 THR 34 -13.438 -6.636 0.688 244 HG21 THR 34 HG21 THR 34 -14.806 -4.532 -0.289 245 HG22 THR 34 HG22 THR 34 -15.462 -3.813 1.186 246 HG23 THR 34 HG23 THR 34 -15.539 -5.559 0.947 247 H GLN 35 H GLN 35 -11.895 -3.884 3.744 248 HA GLN 35 HA GLN 35 -9.151 -3.731 3.455 249 HB2 GLN 35 HB2 GLN 35 -10.662 -5.707 5.175 250 HB3 GLN 35 HB3 GLN 35 -8.950 -5.354 5.309 251 HG2 GLN 35 HG2 GLN 35 -9.994 -4.186 7.039 252 HG3 GLN 35 HG3 GLN 35 -9.591 -2.990 5.817 253 HE21 GLN 35 HE21 GLN 35 -12.288 -5.179 5.443 254 HE22 GLN 35 HE22 GLN 35 -13.529 -3.987 5.663 255 H ASP 36 H ASP 36 -11.290 -6.477 2.989 256 HA ASP 36 HA ASP 36 -9.347 -8.444 2.559 257 HB2 ASP 36 HB2 ASP 36 -11.705 -8.925 3.041 258 HB3 ASP 36 HB3 ASP 36 -12.171 -8.254 1.487 259 H GLU 37 H GLU 37 -10.899 -6.206 0.288 260 HA GLU 37 HA GLU 37 -9.728 -7.385 -2.037 261 HB2 GLU 37 HB2 GLU 37 -10.757 -4.576 -1.623 262 HB3 GLU 37 HB3 GLU 37 -10.449 -5.337 -3.175 263 HG2 GLU 37 HG2 GLU 37 -12.496 -6.242 -1.168 264 HG3 GLU 37 HG3 GLU 37 -12.839 -5.282 -2.603 265 H LEU 38 H LEU 38 -8.966 -4.591 -0.018 266 HA LEU 38 HA LEU 38 -6.617 -3.766 -1.317 267 HB2 LEU 38 HB2 LEU 38 -7.909 -2.427 0.311 268 HB3 LEU 38 HB3 LEU 38 -7.485 -3.545 1.582 269 HG LEU 38 HG LEU 38 -6.257 -1.235 1.321 270 HD11 LEU 38 HD11 LEU 38 -4.711 -3.742 1.898 271 HD12 LEU 38 HD12 LEU 38 -5.840 -2.973 3.017 272 HD13 LEU 38 HD13 LEU 38 -4.386 -2.117 2.502 273 HD21 LEU 38 HD21 LEU 38 -4.163 -1.439 0.082 274 HD22 LEU 38 HD22 LEU 38 -5.566 -1.571 -0.979 275 HD23 LEU 38 HD23 LEU 38 -4.677 -3.020 -0.512 276 H ARG 39 H ARG 39 -7.309 -6.223 1.019 277 HA ARG 39 HA ARG 39 -4.587 -6.788 1.713 278 HB2 ARG 39 HB2 ARG 39 -6.728 -7.017 3.131 279 HB3 ARG 39 HB3 ARG 39 -6.995 -8.510 2.268 280 HG2 ARG 39 HG2 ARG 39 -4.499 -7.956 3.828 281 HG3 ARG 39 HG3 ARG 39 -5.932 -8.697 4.528 282 HD2 ARG 39 HD2 ARG 39 -5.804 -10.486 2.865 283 HD3 ARG 39 HD3 ARG 39 -4.331 -9.757 2.217 284 HE ARG 39 HE ARG 39 -3.882 -10.147 4.920 285 HH11 ARG 39 HH11 ARG 39 -4.618 -12.159 2.157 286 HH12 ARG 39 HH12 ARG 39 -3.699 -13.507 2.736 287 HH21 ARG 39 HH21 ARG 39 -2.678 -11.915 5.686 288 HH22 ARG 39 HH22 ARG 39 -2.598 -13.374 4.748 289 H SER 40 H SER 40 -7.068 -8.290 -0.372 290 HA SER 40 HA SER 40 -5.547 -10.643 -0.885 291 HB2 SER 40 HB2 SER 40 -7.241 -10.978 -2.742 292 HB3 SER 40 HB3 SER 40 -7.911 -10.806 -1.122 293 HG SER 40 HG SER 40 -8.734 -8.908 -1.632 294 H LEU 41 H LEU 41 -6.070 -7.660 -2.703 295 HA LEU 41 HA LEU 41 -4.595 -8.268 -5.002 296 HB2 LEU 41 HB2 LEU 41 -6.133 -6.309 -4.486 297 HB3 LEU 41 HB3 LEU 41 -4.792 -5.603 -3.622 298 HG LEU 41 HG LEU 41 -5.420 -5.068 -6.185 299 HD11 LEU 41 HD11 LEU 41 -2.665 -5.013 -4.998 300 HD12 LEU 41 HD12 LEU 41 -3.920 -3.804 -4.743 301 HD13 LEU 41 HD13 LEU 41 -3.232 -4.037 -6.350 302 HD21 LEU 41 HD21 LEU 41 -3.713 -6.096 -7.623 303 HD22 LEU 41 HD22 LEU 41 -4.837 -7.296 -6.984 304 HD23 LEU 41 HD23 LEU 41 -3.221 -7.140 -6.285 305 H PHE 42 H PHE 42 -3.560 -7.050 -1.867 306 HA PHE 42 HA PHE 42 -0.831 -6.900 -2.738 307 HB2 PHE 42 HB2 PHE 42 -2.218 -6.427 -0.124 308 HB3 PHE 42 HB3 PHE 42 -0.455 -6.499 -0.216 309 HD1 PHE 42 HD1 PHE 42 0.727 -4.584 -0.724 310 HD2 PHE 42 HD2 PHE 42 -3.368 -4.862 -1.868 311 HE1 PHE 42 HE1 PHE 42 0.797 -2.273 -1.575 312 HE2 PHE 42 HE2 PHE 42 -3.288 -2.562 -2.710 313 HZ PHE 42 HZ PHE 42 -1.202 -1.278 -2.566 314 H SER 43 H SER 43 -2.828 -9.239 -1.078 315 HA SER 43 HA SER 43 -0.701 -10.986 -0.364 316 HB2 SER 43 HB2 SER 43 -3.042 -11.115 0.549 317 HB3 SER 43 HB3 SER 43 -3.566 -11.736 -1.015 318 HG SER 43 HG SER 43 -2.776 -13.620 -0.527 319 H SER 44 H SER 44 -2.089 -10.067 -3.299 320 HA SER 44 HA SER 44 -1.452 -12.429 -4.776 321 HB2 SER 44 HB2 SER 44 -2.273 -9.651 -5.636 322 HB3 SER 44 HB3 SER 44 -2.014 -11.016 -6.734 323 HG SER 44 HG SER 44 -3.884 -10.897 -4.596 324 H ILE 45 H ILE 45 0.203 -9.521 -3.869 325 HA ILE 45 HA ILE 45 2.473 -9.922 -5.551 326 HB ILE 45 HB ILE 45 1.947 -8.329 -3.073 327 HG12 ILE 45 HG12 ILE 45 1.363 -7.653 -5.478 328 HG13 ILE 45 HG13 ILE 45 2.240 -6.483 -4.497 329 HG21 ILE 45 HG21 ILE 45 4.666 -8.786 -4.297 330 HG22 ILE 45 HG22 ILE 45 4.169 -9.130 -2.642 331 HG23 ILE 45 HG23 ILE 45 4.291 -7.459 -3.198 332 HD11 ILE 45 HD11 ILE 45 4.285 -7.011 -5.580 333 HD12 ILE 45 HD12 ILE 45 3.056 -6.691 -6.809 334 HD13 ILE 45 HD13 ILE 45 3.533 -8.350 -6.451 335 H GLY 46 H GLY 46 1.700 -10.874 -2.218 336 HA2 GLY 46 HA2 GLY 46 3.431 -13.122 -2.287 337 HA3 GLY 46 HA3 GLY 46 4.211 -11.783 -1.458 338 H GLU 47 H GLU 47 3.782 -11.484 0.652 339 HA GLU 47 HA GLU 47 1.336 -12.695 1.694 340 HB2 GLU 47 HB2 GLU 47 4.118 -13.189 2.656 341 HB3 GLU 47 HB3 GLU 47 2.768 -13.259 3.787 342 HG2 GLU 47 HG2 GLU 47 1.697 -14.952 2.484 343 HG3 GLU 47 HG3 GLU 47 2.926 -14.806 1.233 344 H VAL 48 H VAL 48 0.185 -11.408 2.677 345 HA VAL 48 HA VAL 48 1.260 -8.870 3.652 346 HB VAL 48 HB VAL 48 -1.592 -9.799 3.249 347 HG11 VAL 48 HG11 VAL 48 -1.643 -8.267 5.051 348 HG12 VAL 48 HG12 VAL 48 -2.135 -7.374 3.613 349 HG13 VAL 48 HG13 VAL 48 -0.502 -7.187 4.253 350 HG21 VAL 48 HG21 VAL 48 -0.343 -9.422 1.184 351 HG22 VAL 48 HG22 VAL 48 0.059 -7.792 1.730 352 HG23 VAL 48 HG23 VAL 48 -1.620 -8.222 1.403 353 H GLU 49 H GLU 49 1.701 -8.547 5.572 354 HA GLU 49 HA GLU 49 1.327 -10.417 7.610 355 HB2 GLU 49 HB2 GLU 49 3.172 -8.792 7.324 356 HB3 GLU 49 HB3 GLU 49 2.072 -7.540 7.883 357 HG2 GLU 49 HG2 GLU 49 2.533 -10.015 9.477 358 HG3 GLU 49 HG3 GLU 49 3.673 -8.698 9.517 359 H SER 50 H SER 50 -0.043 -7.199 6.975 360 HA SER 50 HA SER 50 -2.637 -7.977 7.919 361 HB2 SER 50 HB2 SER 50 -2.721 -6.201 9.720 362 HB3 SER 50 HB3 SER 50 -1.725 -7.605 10.102 363 HG SER 50 HG SER 50 0.091 -6.427 9.824 364 H ALA 51 H ALA 51 -4.150 -6.793 6.825 365 HA ALA 51 HA ALA 51 -3.216 -4.259 5.657 366 HB1 ALA 51 HB1 ALA 51 -5.184 -6.136 4.358 367 HB2 ALA 51 HB2 ALA 51 -3.465 -6.042 3.970 368 HB3 ALA 51 HB3 ALA 51 -4.503 -4.651 3.682 369 H LYS 52 H LYS 52 -4.251 -2.526 6.202 370 HA LYS 52 HA LYS 52 -6.882 -2.769 7.490 371 HB2 LYS 52 HB2 LYS 52 -4.955 -1.925 8.829 372 HB3 LYS 52 HB3 LYS 52 -4.777 -0.608 7.680 373 HG2 LYS 52 HG2 LYS 52 -7.234 -0.080 8.288 374 HG3 LYS 52 HG3 LYS 52 -6.889 -1.052 9.725 375 HD2 LYS 52 HD2 LYS 52 -5.276 1.294 8.775 376 HD3 LYS 52 HD3 LYS 52 -6.458 1.347 10.087 377 HE2 LYS 52 HE2 LYS 52 -3.939 -0.308 10.005 378 HE3 LYS 52 HE3 LYS 52 -4.169 1.169 10.934 379 HZ1 LYS 52 HZ1 LYS 52 -4.428 -0.775 12.319 380 HZ2 LYS 52 HZ2 LYS 52 -5.647 -1.377 11.314 381 HZ3 LYS 52 HZ3 LYS 52 -5.905 0.042 12.197 382 H LEU 53 H LEU 53 -8.580 -1.727 6.570 383 HA LEU 53 HA LEU 53 -8.039 0.145 4.371 384 HB2 LEU 53 HB2 LEU 53 -9.357 -1.759 3.674 385 HB3 LEU 53 HB3 LEU 53 -10.474 -1.523 5.002 386 HG LEU 53 HG LEU 53 -10.684 0.869 3.750 387 HD11 LEU 53 HD11 LEU 53 -9.196 0.153 1.936 388 HD12 LEU 53 HD12 LEU 53 -10.835 0.475 1.361 389 HD13 LEU 53 HD13 LEU 53 -10.290 -1.192 1.583 390 HD21 LEU 53 HD21 LEU 53 -12.205 -1.669 3.179 391 HD22 LEU 53 HD22 LEU 53 -12.764 -0.045 2.788 392 HD23 LEU 53 HD23 LEU 53 -12.528 -0.516 4.472 393 H ILE 54 H ILE 54 -8.731 2.209 4.551 394 HA ILE 54 HA ILE 54 -9.790 2.964 7.175 395 HB ILE 54 HB ILE 54 -8.697 4.737 5.002 396 HG12 ILE 54 HG12 ILE 54 -6.924 3.282 5.714 397 HG13 ILE 54 HG13 ILE 54 -6.650 4.858 6.436 398 HG21 ILE 54 HG21 ILE 54 -8.535 6.434 6.726 399 HG22 ILE 54 HG22 ILE 54 -9.146 5.298 7.929 400 HG23 ILE 54 HG23 ILE 54 -10.193 5.838 6.616 401 HD11 ILE 54 HD11 ILE 54 -7.538 4.034 8.555 402 HD12 ILE 54 HD12 ILE 54 -6.170 3.064 7.998 403 HD13 ILE 54 HD13 ILE 54 -7.815 2.453 7.819 404 H ARG 55 H ARG 55 -11.885 3.383 7.369 405 HA ARG 55 HA ARG 55 -13.279 4.566 5.071 406 HB2 ARG 55 HB2 ARG 55 -14.561 2.582 6.947 407 HB3 ARG 55 HB3 ARG 55 -15.257 3.295 5.501 408 HG2 ARG 55 HG2 ARG 55 -13.298 2.132 4.280 409 HG3 ARG 55 HG3 ARG 55 -13.205 1.152 5.743 410 HD2 ARG 55 HD2 ARG 55 -15.643 1.517 4.000 411 HD3 ARG 55 HD3 ARG 55 -14.617 0.082 4.068 412 HE ARG 55 HE ARG 55 -15.461 0.508 6.651 413 HH11 ARG 55 HH11 ARG 55 -16.969 -0.116 3.558 414 HH12 ARG 55 HH12 ARG 55 -18.373 -0.861 4.253 415 HH21 ARG 55 HH21 ARG 55 -17.292 -0.492 7.569 416 HH22 ARG 55 HH22 ARG 55 -18.552 -1.086 6.533 417 H ASP 56 H ASP 56 -15.220 5.733 5.653 418 HA ASP 56 HA ASP 56 -14.727 7.567 7.737 419 HB2 ASP 56 HB2 ASP 56 -16.014 8.036 5.630 420 HB3 ASP 56 HB3 ASP 56 -17.346 7.131 6.332 421 H LYS 57 H LYS 57 -15.595 7.829 9.655 422 HA LYS 57 HA LYS 57 -16.330 5.636 11.191 423 HB2 LYS 57 HB2 LYS 57 -16.313 7.149 12.962 424 HB3 LYS 57 HB3 LYS 57 -15.105 7.704 11.841 425 HG2 LYS 57 HG2 LYS 57 -17.773 8.875 12.418 426 HG3 LYS 57 HG3 LYS 57 -16.198 9.606 12.636 427 HD2 LYS 57 HD2 LYS 57 -15.969 9.423 10.083 428 HD3 LYS 57 HD3 LYS 57 -17.712 9.126 10.071 429 HE2 LYS 57 HE2 LYS 57 -17.355 11.460 9.701 430 HE3 LYS 57 HE3 LYS 57 -18.001 11.264 11.328 431 HZ1 LYS 57 HZ1 LYS 57 -15.142 11.674 10.636 432 HZ2 LYS 57 HZ2 LYS 57 -15.756 11.488 12.200 433 HZ3 LYS 57 HZ3 LYS 57 -16.181 12.843 11.284 434 H VAL 58 H VAL 58 -18.229 7.462 9.156 435 HA VAL 58 HA VAL 58 -20.675 6.729 10.608 436 HB VAL 58 HB VAL 58 -19.960 9.393 9.408 437 HG11 VAL 58 HG11 VAL 58 -22.184 8.921 8.655 438 HG12 VAL 58 HG12 VAL 58 -22.262 10.095 9.971 439 HG13 VAL 58 HG13 VAL 58 -22.669 8.406 10.271 440 HG21 VAL 58 HG21 VAL 58 -19.357 8.678 11.769 441 HG22 VAL 58 HG22 VAL 58 -21.083 8.816 12.117 442 HG23 VAL 58 HG23 VAL 58 -20.177 10.226 11.562 443 H ALA 59 H ALA 59 -19.497 8.063 7.547 444 HA ALA 59 HA ALA 59 -21.812 7.212 6.130 445 HB1 ALA 59 HB1 ALA 59 -20.610 9.205 5.467 446 HB2 ALA 59 HB2 ALA 59 -20.674 8.050 4.135 447 HB3 ALA 59 HB3 ALA 59 -19.193 8.234 5.075 448 H GLY 60 H GLY 60 -19.168 5.583 7.170 449 HA2 GLY 60 HA2 GLY 60 -18.429 3.436 6.887 450 HA3 GLY 60 HA3 GLY 60 -20.016 3.124 6.210 451 H HIS 61 H HIS 61 -17.812 5.383 4.703 452 HA HIS 61 HA HIS 61 -17.410 3.386 2.567 453 HB2 HIS 61 HB2 HIS 61 -17.570 5.048 0.910 454 HB3 HIS 61 HB3 HIS 61 -18.837 5.484 2.045 455 HD1 HIS 61 HD1 HIS 61 -16.294 6.995 0.114 456 HD2 HIS 61 HD2 HIS 61 -17.697 7.562 3.977 457 HE1 HIS 61 HE1 HIS 61 -15.569 9.307 0.759 458 HE2 HIS 61 HE2 HIS 61 -16.660 9.716 2.990 459 H SER 62 H SER 62 -15.372 3.253 1.599 460 HA SER 62 HA SER 62 -13.176 3.706 3.277 461 HB2 SER 62 HB2 SER 62 -13.109 1.997 1.530 462 HB3 SER 62 HB3 SER 62 -13.262 3.231 0.281 463 HG SER 62 HG SER 62 -11.080 2.441 0.713 464 H LEU 63 H LEU 63 -11.667 5.305 3.364 465 HA LEU 63 HA LEU 63 -12.549 7.845 2.244 466 HB2 LEU 63 HB2 LEU 63 -10.417 7.224 4.289 467 HB3 LEU 63 HB3 LEU 63 -10.918 8.835 3.810 468 HG LEU 63 HG LEU 63 -12.596 6.776 5.241 469 HD11 LEU 63 HD11 LEU 63 -11.535 9.458 6.098 470 HD12 LEU 63 HD12 LEU 63 -11.024 7.881 6.701 471 HD13 LEU 63 HD13 LEU 63 -12.659 8.464 7.022 472 HD21 LEU 63 HD21 LEU 63 -14.078 7.886 3.767 473 HD22 LEU 63 HD22 LEU 63 -13.333 9.451 4.087 474 HD23 LEU 63 HD23 LEU 63 -14.274 8.654 5.344 475 H GLY 64 H GLY 64 -10.819 5.466 1.073 476 HA2 GLY 64 HA2 GLY 64 -9.772 5.574 -1.002 477 HA3 GLY 64 HA3 GLY 64 -9.524 7.295 -0.767 478 H TYR 65 H TYR 65 -8.561 4.978 1.667 479 HA TYR 65 HA TYR 65 -6.008 4.435 0.603 480 HB2 TYR 65 HB2 TYR 65 -4.569 5.729 2.042 481 HB3 TYR 65 HB3 TYR 65 -5.634 6.824 1.176 482 HD1 TYR 65 HD1 TYR 65 -7.783 7.561 2.489 483 HD2 TYR 65 HD2 TYR 65 -4.270 5.965 4.273 484 HE1 TYR 65 HE1 TYR 65 -8.383 8.633 4.609 485 HE2 TYR 65 HE2 TYR 65 -4.865 7.021 6.400 486 HH TYR 65 HH TYR 65 -6.202 8.933 7.190 487 H GLY 66 H GLY 66 -4.572 3.370 2.220 488 HA2 GLY 66 HA2 GLY 66 -5.733 2.391 4.646 489 HA3 GLY 66 HA3 GLY 66 -5.766 1.195 3.363 490 H PHE 67 H PHE 67 -4.385 0.207 5.196 491 HA PHE 67 HA PHE 67 -1.567 0.774 4.613 492 HB2 PHE 67 HB2 PHE 67 -2.711 0.462 7.401 493 HB3 PHE 67 HB3 PHE 67 -1.002 0.617 7.009 494 HD1 PHE 67 HD1 PHE 67 -4.161 2.355 7.443 495 HD2 PHE 67 HD2 PHE 67 -0.097 2.766 6.250 496 HE1 PHE 67 HE1 PHE 67 -4.351 4.798 7.650 497 HE2 PHE 67 HE2 PHE 67 -0.281 5.212 6.454 498 HZ PHE 67 HZ PHE 67 -2.411 6.229 7.155 499 H VAL 68 H VAL 68 -0.980 -1.119 3.686 500 HA VAL 68 HA VAL 68 -1.657 -3.555 5.142 501 HB VAL 68 HB VAL 68 -2.405 -4.297 3.201 502 HG11 VAL 68 HG11 VAL 68 -2.508 -2.057 2.327 503 HG12 VAL 68 HG12 VAL 68 -2.108 -3.225 1.068 504 HG13 VAL 68 HG13 VAL 68 -0.846 -2.194 1.747 505 HG21 VAL 68 HG21 VAL 68 -0.345 -5.585 3.249 506 HG22 VAL 68 HG22 VAL 68 0.494 -4.309 2.364 507 HG23 VAL 68 HG23 VAL 68 -0.799 -5.219 1.585 508 H ASN 69 H ASN 69 -0.167 -4.118 6.447 509 HA ASN 69 HA ASN 69 2.634 -3.617 5.998 510 HB2 ASN 69 HB2 ASN 69 1.461 -3.682 8.266 511 HB3 ASN 69 HB3 ASN 69 1.409 -5.422 8.069 512 HD21 ASN 69 HD21 ASN 69 2.749 -5.986 9.676 513 HD22 ASN 69 HD22 ASN 69 4.434 -5.575 9.723 514 H TYR 70 H TYR 70 3.939 -4.938 4.880 515 HA TYR 70 HA TYR 70 2.988 -7.611 4.225 516 HB2 TYR 70 HB2 TYR 70 5.142 -5.813 3.215 517 HB3 TYR 70 HB3 TYR 70 5.355 -7.545 3.034 518 HD1 TYR 70 HD1 TYR 70 3.909 -4.617 1.626 519 HD2 TYR 70 HD2 TYR 70 3.488 -8.838 1.858 520 HE1 TYR 70 HE1 TYR 70 2.614 -4.602 -0.453 521 HE2 TYR 70 HE2 TYR 70 2.186 -8.830 -0.220 522 HH TYR 70 HH TYR 70 0.985 -7.436 -1.624 523 H VAL 71 H VAL 71 4.822 -9.297 4.186 524 HA VAL 71 HA VAL 71 5.882 -9.418 6.888 525 HB VAL 71 HB VAL 71 6.468 -11.732 6.386 526 HG11 VAL 71 HG11 VAL 71 3.679 -11.014 5.488 527 HG12 VAL 71 HG12 VAL 71 4.212 -11.176 7.164 528 HG13 VAL 71 HG13 VAL 71 4.202 -12.587 6.098 529 HG21 VAL 71 HG21 VAL 71 7.074 -11.444 4.026 530 HG22 VAL 71 HG22 VAL 71 5.376 -11.177 3.627 531 HG23 VAL 71 HG23 VAL 71 5.901 -12.745 4.240 532 H THR 72 H THR 72 6.993 -8.755 3.679 533 HA THR 72 HA THR 72 9.714 -8.449 4.763 534 HB THR 72 HB THR 72 10.480 -8.627 2.340 535 HG1 THR 72 HG1 THR 72 7.890 -8.973 1.918 536 HG21 THR 72 HG21 THR 72 9.478 -11.103 3.703 537 HG22 THR 72 HG22 THR 72 11.069 -10.355 3.871 538 HG23 THR 72 HG23 THR 72 10.589 -11.076 2.325 539 H ALA 73 H ALA 73 10.903 -6.627 3.881 540 HA ALA 73 HA ALA 73 9.266 -4.468 2.852 541 HB1 ALA 73 HB1 ALA 73 12.268 -4.599 3.196 542 HB2 ALA 73 HB2 ALA 73 11.132 -3.969 4.387 543 HB3 ALA 73 HB3 ALA 73 11.325 -3.153 2.836 544 H LYS 74 H LYS 74 10.960 -7.121 1.785 545 HA LYS 74 HA LYS 74 11.729 -6.464 -0.833 546 HB2 LYS 74 HB2 LYS 74 12.582 -8.428 0.162 547 HB3 LYS 74 HB3 LYS 74 10.973 -9.021 0.545 548 HG2 LYS 74 HG2 LYS 74 11.067 -8.667 -2.236 549 HG3 LYS 74 HG3 LYS 74 12.556 -9.491 -1.761 550 HD2 LYS 74 HD2 LYS 74 11.410 -11.291 -0.837 551 HD3 LYS 74 HD3 LYS 74 9.906 -10.377 -0.683 552 HE2 LYS 74 HE2 LYS 74 9.559 -10.391 -3.035 553 HE3 LYS 74 HE3 LYS 74 11.171 -11.046 -3.324 554 HZ1 LYS 74 HZ1 LYS 74 9.498 -12.765 -3.539 555 HZ2 LYS 74 HZ2 LYS 74 8.945 -12.471 -1.967 556 HZ3 LYS 74 HZ3 LYS 74 10.495 -13.094 -2.213 557 H ASP 75 H ASP 75 8.806 -8.295 0.187 558 HA ASP 75 HA ASP 75 7.653 -7.947 -2.426 559 HB2 ASP 75 HB2 ASP 75 5.829 -9.287 -1.634 560 HB3 ASP 75 HB3 ASP 75 7.336 -9.966 -1.076 561 H ALA 76 H ALA 76 7.546 -6.322 0.565 562 HA ALA 76 HA ALA 76 5.444 -4.529 0.121 563 HB1 ALA 76 HB1 ALA 76 8.162 -3.899 1.301 564 HB2 ALA 76 HB2 ALA 76 6.778 -4.532 2.193 565 HB3 ALA 76 HB3 ALA 76 6.707 -2.921 1.480 566 H GLU 77 H GLU 77 8.859 -4.156 -0.890 567 HA GLU 77 HA GLU 77 8.422 -1.971 -2.629 568 HB2 GLU 77 HB2 GLU 77 10.658 -2.485 -1.925 569 HB3 GLU 77 HB3 GLU 77 10.545 -4.121 -2.554 570 HG2 GLU 77 HG2 GLU 77 10.558 -3.320 -4.804 571 HG3 GLU 77 HG3 GLU 77 10.478 -1.647 -4.263 572 H ARG 78 H ARG 78 8.145 -5.435 -3.031 573 HA ARG 78 HA ARG 78 7.948 -5.529 -5.825 574 HB2 ARG 78 HB2 ARG 78 8.324 -7.450 -4.246 575 HB3 ARG 78 HB3 ARG 78 6.616 -7.364 -3.839 576 HG2 ARG 78 HG2 ARG 78 6.002 -7.942 -6.078 577 HG3 ARG 78 HG3 ARG 78 7.686 -7.874 -6.597 578 HD2 ARG 78 HD2 ARG 78 8.233 -9.722 -5.100 579 HD3 ARG 78 HD3 ARG 78 6.560 -9.785 -4.552 580 HE ARG 78 HE ARG 78 6.853 -10.078 -7.402 581 HH11 ARG 78 HH11 ARG 78 6.828 -11.773 -4.337 582 HH12 ARG 78 HH12 ARG 78 6.436 -13.305 -5.047 583 HH21 ARG 78 HH21 ARG 78 6.337 -12.090 -8.334 584 HH22 ARG 78 HH22 ARG 78 6.161 -13.487 -7.319 585 H ALA 79 H ALA 79 5.594 -4.930 -3.273 586 HA ALA 79 HA ALA 79 3.353 -4.853 -5.032 587 HB1 ALA 79 HB1 ALA 79 3.682 -3.742 -2.240 588 HB2 ALA 79 HB2 ALA 79 2.981 -5.298 -2.691 589 HB3 ALA 79 HB3 ALA 79 2.157 -3.799 -3.131 590 H ILE 80 H ILE 80 5.660 -2.487 -3.858 591 HA ILE 80 HA ILE 80 4.210 -0.235 -4.802 592 HB ILE 80 HB ILE 80 7.153 -0.424 -4.342 593 HG12 ILE 80 HG12 ILE 80 4.945 0.369 -2.434 594 HG13 ILE 80 HG13 ILE 80 5.802 -1.168 -2.395 595 HG21 ILE 80 HG21 ILE 80 7.021 1.966 -4.023 596 HG22 ILE 80 HG22 ILE 80 5.272 1.925 -4.270 597 HG23 ILE 80 HG23 ILE 80 6.364 1.531 -5.606 598 HD11 ILE 80 HD11 ILE 80 6.617 0.404 -0.730 599 HD12 ILE 80 HD12 ILE 80 7.055 1.527 -2.017 600 HD13 ILE 80 HD13 ILE 80 7.860 -0.039 -1.898 601 H ASN 81 H ASN 81 6.581 -2.331 -6.326 602 HA ASN 81 HA ASN 81 6.674 -0.526 -8.581 603 HB2 ASN 81 HB2 ASN 81 8.199 -2.220 -9.580 604 HB3 ASN 81 HB3 ASN 81 8.733 -1.569 -8.031 605 HD21 ASN 81 HD21 ASN 81 9.842 -3.077 -7.082 606 HD22 ASN 81 HD22 ASN 81 9.349 -4.715 -6.853 607 H THR 82 H THR 82 5.118 -3.478 -7.669 608 HA THR 82 HA THR 82 4.145 -3.926 -10.348 609 HB THR 82 HB THR 82 3.984 -5.450 -7.788 610 HG1 THR 82 HG1 THR 82 5.859 -5.704 -9.006 611 HG21 THR 82 HG21 THR 82 1.813 -5.836 -8.659 612 HG22 THR 82 HG22 THR 82 2.781 -7.241 -9.114 613 HG23 THR 82 HG23 THR 82 2.428 -5.990 -10.309 614 H LEU 83 H LEU 83 2.695 -3.408 -7.122 615 HA LEU 83 HA LEU 83 0.053 -3.337 -8.279 616 HB2 LEU 83 HB2 LEU 83 1.025 -3.154 -5.469 617 HB3 LEU 83 HB3 LEU 83 -0.667 -3.072 -5.899 618 HG LEU 83 HG LEU 83 1.199 -5.415 -6.266 619 HD11 LEU 83 HD11 LEU 83 -0.955 -4.693 -4.363 620 HD12 LEU 83 HD12 LEU 83 0.531 -5.603 -4.101 621 HD13 LEU 83 HD13 LEU 83 -0.856 -6.377 -4.878 622 HD21 LEU 83 HD21 LEU 83 -0.812 -6.605 -7.106 623 HD22 LEU 83 HD22 LEU 83 -0.221 -5.348 -8.193 624 HD23 LEU 83 HD23 LEU 83 -1.644 -5.053 -7.194 625 H ASN 84 H ASN 84 2.357 -0.986 -7.127 626 HA ASN 84 HA ASN 84 0.513 1.079 -6.569 627 HB2 ASN 84 HB2 ASN 84 2.987 1.008 -5.996 628 HB3 ASN 84 HB3 ASN 84 3.302 1.453 -7.669 629 HD21 ASN 84 HD21 ASN 84 4.196 2.992 -5.619 630 HD22 ASN 84 HD22 ASN 84 3.342 4.487 -5.593 631 H GLY 85 H GLY 85 -0.767 2.189 -7.884 632 HA2 GLY 85 HA2 GLY 85 -1.553 3.151 -9.842 633 HA3 GLY 85 HA3 GLY 85 -0.148 2.543 -10.694 634 H LEU 86 H LEU 86 -2.089 0.442 -8.720 635 HA LEU 86 HA LEU 86 -2.766 -1.163 -11.040 636 HB2 LEU 86 HB2 LEU 86 -2.231 -1.718 -8.372 637 HB3 LEU 86 HB3 LEU 86 -3.962 -1.941 -8.488 638 HG LEU 86 HG LEU 86 -2.784 -4.049 -8.771 639 HD11 LEU 86 HD11 LEU 86 -3.777 -4.775 -10.877 640 HD12 LEU 86 HD12 LEU 86 -4.034 -3.094 -11.339 641 HD13 LEU 86 HD13 LEU 86 -4.889 -3.768 -9.951 642 HD21 LEU 86 HD21 LEU 86 -1.208 -4.470 -10.451 643 HD22 LEU 86 HD22 LEU 86 -0.737 -2.912 -9.770 644 HD23 LEU 86 HD23 LEU 86 -1.593 -2.979 -11.309 645 H ARG 87 H ARG 87 -4.847 -1.525 -11.806 646 HA ARG 87 HA ARG 87 -6.848 0.398 -10.992 647 HB2 ARG 87 HB2 ARG 87 -6.814 -1.709 -13.145 648 HB3 ARG 87 HB3 ARG 87 -8.226 -0.720 -12.793 649 HG2 ARG 87 HG2 ARG 87 -5.536 0.385 -13.546 650 HG3 ARG 87 HG3 ARG 87 -6.852 0.100 -14.688 651 HD2 ARG 87 HD2 ARG 87 -8.265 1.657 -13.466 652 HD3 ARG 87 HD3 ARG 87 -6.987 1.910 -12.278 653 HE ARG 87 HE ARG 87 -5.800 2.557 -14.620 654 HH11 ARG 87 HH11 ARG 87 -8.774 3.589 -13.077 655 HH12 ARG 87 HH12 ARG 87 -8.729 5.174 -13.776 656 HH21 ARG 87 HH21 ARG 87 -5.722 4.652 -15.516 657 HH22 ARG 87 HH22 ARG 87 -6.986 5.784 -15.154 658 H LEU 88 H LEU 88 -7.270 -0.274 -8.900 659 HA LEU 88 HA LEU 88 -8.495 -2.873 -8.484 660 HB2 LEU 88 HB2 LEU 88 -7.369 -0.767 -6.818 661 HB3 LEU 88 HB3 LEU 88 -8.895 -1.378 -6.202 662 HG LEU 88 HG LEU 88 -6.512 -3.106 -6.866 663 HD11 LEU 88 HD11 LEU 88 -5.984 -3.168 -4.605 664 HD12 LEU 88 HD12 LEU 88 -7.543 -2.488 -4.128 665 HD13 LEU 88 HD13 LEU 88 -6.336 -1.458 -4.895 666 HD21 LEU 88 HD21 LEU 88 -8.602 -4.287 -7.082 667 HD22 LEU 88 HD22 LEU 88 -9.157 -3.661 -5.529 668 HD23 LEU 88 HD23 LEU 88 -7.804 -4.796 -5.593 669 H GLN 89 H GLN 89 -10.529 -3.091 -9.132 670 HA GLN 89 HA GLN 89 -12.697 -2.620 -9.664 671 HB2 GLN 89 HB2 GLN 89 -12.421 -0.741 -7.347 672 HB3 GLN 89 HB3 GLN 89 -13.947 -1.242 -8.054 673 HG2 GLN 89 HG2 GLN 89 -13.427 -3.575 -7.421 674 HG3 GLN 89 HG3 GLN 89 -11.957 -2.998 -6.637 675 HE21 GLN 89 HE21 GLN 89 -13.220 -0.561 -5.722 676 HE22 GLN 89 HE22 GLN 89 -14.240 -1.004 -4.398 677 H SER 90 H SER 90 -10.605 -1.180 -10.922 678 HA SER 90 HA SER 90 -10.513 0.249 -12.679 679 HB2 SER 90 HB2 SER 90 -12.730 0.192 -13.280 680 HB3 SER 90 HB3 SER 90 -13.240 0.888 -11.758 681 HG SER 90 HG SER 90 -11.683 2.655 -12.996 682 H LYS 91 H LYS 91 -10.487 1.001 -9.490 683 HA LYS 91 HA LYS 91 -9.777 3.823 -9.826 684 HB2 LYS 91 HB2 LYS 91 -11.018 2.354 -7.791 685 HB3 LYS 91 HB3 LYS 91 -9.414 2.707 -7.172 686 HG2 LYS 91 HG2 LYS 91 -11.322 4.772 -8.199 687 HG3 LYS 91 HG3 LYS 91 -11.091 4.353 -6.505 688 HD2 LYS 91 HD2 LYS 91 -8.542 4.774 -7.264 689 HD3 LYS 91 HD3 LYS 91 -9.389 5.924 -8.301 690 HE2 LYS 91 HE2 LYS 91 -10.643 6.447 -6.049 691 HE3 LYS 91 HE3 LYS 91 -9.157 5.828 -5.346 692 HZ1 LYS 91 HZ1 LYS 91 -9.392 8.101 -7.241 693 HZ2 LYS 91 HZ2 LYS 91 -7.930 7.456 -6.696 694 HZ3 LYS 91 HZ3 LYS 91 -8.989 8.193 -5.603 695 H THR 92 H THR 92 -7.672 4.552 -9.674 696 HA THR 92 HA THR 92 -5.608 2.496 -9.658 697 HB THR 92 HB THR 92 -4.660 5.226 -10.005 698 HG1 THR 92 HG1 THR 92 -5.675 5.395 -12.132 699 HG21 THR 92 HG21 THR 92 -4.568 2.761 -11.750 700 HG22 THR 92 HG22 THR 92 -3.339 3.252 -10.583 701 HG23 THR 92 HG23 THR 92 -3.640 4.235 -12.016 702 H ILE 93 H ILE 93 -4.344 2.112 -7.968 703 HA ILE 93 HA ILE 93 -4.660 3.829 -5.623 704 HB ILE 93 HB ILE 93 -3.946 1.890 -4.349 705 HG12 ILE 93 HG12 ILE 93 -3.687 0.595 -7.073 706 HG13 ILE 93 HG13 ILE 93 -2.369 0.954 -5.966 707 HG21 ILE 93 HG21 ILE 93 -6.325 2.248 -5.079 708 HG22 ILE 93 HG22 ILE 93 -5.915 0.572 -4.687 709 HG23 ILE 93 HG23 ILE 93 -6.027 1.085 -6.375 710 HD11 ILE 93 HD11 ILE 93 -2.871 -1.370 -5.885 711 HD12 ILE 93 HD12 ILE 93 -4.573 -1.032 -5.569 712 HD13 ILE 93 HD13 ILE 93 -3.354 -0.628 -4.359 713 H LYS 94 H LYS 94 -2.801 3.976 -4.121 714 HA LYS 94 HA LYS 94 -0.197 4.005 -5.512 715 HB2 LYS 94 HB2 LYS 94 -0.754 6.288 -5.374 716 HB3 LYS 94 HB3 LYS 94 -1.454 6.115 -3.775 717 HG2 LYS 94 HG2 LYS 94 0.911 5.587 -2.985 718 HG3 LYS 94 HG3 LYS 94 1.440 6.200 -4.548 719 HD2 LYS 94 HD2 LYS 94 0.427 8.324 -4.102 720 HD3 LYS 94 HD3 LYS 94 -0.287 7.727 -2.610 721 HE2 LYS 94 HE2 LYS 94 2.638 8.155 -3.198 722 HE3 LYS 94 HE3 LYS 94 1.634 9.057 -2.074 723 HZ1 LYS 94 HZ1 LYS 94 2.394 6.201 -1.826 724 HZ2 LYS 94 HZ2 LYS 94 1.387 7.044 -0.755 725 HZ3 LYS 94 HZ3 LYS 94 3.009 7.486 -0.915 726 H VAL 95 H VAL 95 0.651 2.187 -4.590 727 HA VAL 95 HA VAL 95 0.580 1.965 -1.680 728 HB VAL 95 HB VAL 95 0.574 -0.217 -1.957 729 HG11 VAL 95 HG11 VAL 95 0.745 0.305 -4.905 730 HG12 VAL 95 HG12 VAL 95 -0.723 0.303 -3.928 731 HG13 VAL 95 HG13 VAL 95 0.197 -1.192 -4.147 732 HG21 VAL 95 HG21 VAL 95 2.396 -1.395 -3.262 733 HG22 VAL 95 HG22 VAL 95 2.889 -0.411 -1.882 734 HG23 VAL 95 HG23 VAL 95 3.078 0.211 -3.517 735 H SER 96 H SER 96 2.267 2.329 -0.423 736 HA SER 96 HA SER 96 4.961 2.575 -1.425 737 HB2 SER 96 HB2 SER 96 3.627 4.990 -0.156 738 HB3 SER 96 HB3 SER 96 5.248 4.904 -0.849 739 HG SER 96 HG SER 96 3.591 4.139 -2.746 740 H TYR 97 H TYR 97 6.342 3.368 0.605 741 HA TYR 97 HA TYR 97 5.616 1.581 2.755 742 HB2 TYR 97 HB2 TYR 97 7.884 3.559 2.503 743 HB3 TYR 97 HB3 TYR 97 7.707 2.373 3.788 744 HD1 TYR 97 HD1 TYR 97 8.811 2.968 0.404 745 HD2 TYR 97 HD2 TYR 97 7.882 -0.044 3.244 746 HE1 TYR 97 HE1 TYR 97 10.116 1.350 -0.900 747 HE2 TYR 97 HE2 TYR 97 9.189 -1.675 1.955 748 HH TYR 97 HH TYR 97 10.019 -2.026 -0.272 749 H ALA 98 H ALA 98 4.206 2.130 4.255 750 HA ALA 98 HA ALA 98 3.381 4.830 4.642 751 HB1 ALA 98 HB1 ALA 98 2.804 2.521 6.499 752 HB2 ALA 98 HB2 ALA 98 1.929 2.784 4.990 753 HB3 ALA 98 HB3 ALA 98 1.859 3.996 6.269 754 H ARG 99 H ARG 99 4.381 6.305 5.793 755 HA ARG 99 HA ARG 99 6.794 6.042 7.067 756 HB2 ARG 99 HB2 ARG 99 5.775 8.182 6.407 757 HB3 ARG 99 HB3 ARG 99 4.607 8.025 7.708 758 HG2 ARG 99 HG2 ARG 99 6.582 7.986 9.290 759 HG3 ARG 99 HG3 ARG 99 7.562 8.494 7.913 760 HD2 ARG 99 HD2 ARG 99 6.921 10.450 9.130 761 HD3 ARG 99 HD3 ARG 99 6.021 10.426 7.617 762 HE ARG 99 HE ARG 99 4.897 9.684 10.251 763 HH11 ARG 99 HH11 ARG 99 4.502 10.897 6.979 764 HH12 ARG 99 HH12 ARG 99 2.854 11.378 7.221 765 HH21 ARG 99 HH21 ARG 99 2.716 10.315 10.557 766 HH22 ARG 99 HH22 ARG 99 1.838 11.043 9.250 767 HA PRO 100 HA PRO 100 5.495 3.947 10.833 768 HB2 PRO 100 HB2 PRO 100 8.289 4.016 11.617 769 HB3 PRO 100 HB3 PRO 100 7.295 2.623 11.202 770 HG2 PRO 100 HG2 PRO 100 9.334 3.472 9.637 771 HG3 PRO 100 HG3 PRO 100 7.881 2.685 8.985 772 HD2 PRO 100 HD2 PRO 100 8.561 5.603 9.113 773 HD3 PRO 100 HD3 PRO 100 7.857 4.670 7.776 774 H SER 101 H SER 101 4.559 5.218 12.248 775 HA SER 101 HA SER 101 4.068 6.941 13.621 776 HB2 SER 101 HB2 SER 101 5.577 5.600 15.014 777 HB3 SER 101 HB3 SER 101 6.946 6.539 14.435 778 HG SER 101 HG SER 101 6.510 7.868 15.990 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 9.057 0.155 -17.602 2 H2 GLY 1 H2 GLY 1 7.399 -0.089 -17.376 3 H3 GLY 1 H3 GLY 1 8.397 0.219 -16.048 4 HA2 GLY 1 HA2 GLY 1 7.852 2.121 -18.255 5 HA3 GLY 1 HA3 GLY 1 7.098 2.174 -16.669 6 H HIS 2 H HIS 2 7.898 4.074 -15.915 7 HA HIS 2 HA HIS 2 10.826 4.393 -15.868 8 HB2 HIS 2 HB2 HIS 2 8.627 6.432 -15.450 9 HB3 HIS 2 HB3 HIS 2 10.343 6.773 -15.287 10 HD1 HIS 2 HD1 HIS 2 11.765 6.749 -17.516 11 HD2 HIS 2 HD2 HIS 2 7.650 6.414 -18.035 12 HE1 HIS 2 HE1 HIS 2 11.348 7.215 -19.950 13 HE2 HIS 2 HE2 HIS 2 8.864 6.931 -20.260 14 H MET 3 H MET 3 7.962 4.910 -13.858 15 HA MET 3 HA MET 3 9.000 3.572 -11.600 16 HB2 MET 3 HB2 MET 3 10.414 5.561 -11.379 17 HB3 MET 3 HB3 MET 3 9.001 6.600 -11.480 18 HG2 MET 3 HG2 MET 3 8.171 5.725 -9.378 19 HG3 MET 3 HG3 MET 3 9.528 4.606 -9.290 20 HE1 MET 3 HE1 MET 3 12.563 6.911 -8.621 21 HE2 MET 3 HE2 MET 3 12.024 6.254 -10.165 22 HE3 MET 3 HE3 MET 3 11.967 5.253 -8.714 23 H SER 4 H SER 4 7.110 2.624 -11.134 24 HA SER 4 HA SER 4 4.593 3.816 -11.671 25 HB2 SER 4 HB2 SER 4 5.273 1.407 -9.966 26 HB3 SER 4 HB3 SER 4 3.652 1.848 -10.503 27 HG SER 4 HG SER 4 4.928 1.823 -12.695 28 H ASN 5 H ASN 5 6.690 3.764 -8.891 29 HA ASN 5 HA ASN 5 4.580 4.861 -7.208 30 HB2 ASN 5 HB2 ASN 5 6.139 3.136 -6.286 31 HB3 ASN 5 HB3 ASN 5 7.452 4.302 -6.449 32 HD21 ASN 5 HD21 ASN 5 7.572 6.031 -5.036 33 HD22 ASN 5 HD22 ASN 5 6.578 6.159 -3.625 34 H GLY 6 H GLY 6 4.345 6.831 -8.394 35 HA2 GLY 6 HA2 GLY 6 6.472 8.792 -8.129 36 HA3 GLY 6 HA3 GLY 6 4.853 9.082 -8.757 37 H TYR 7 H TYR 7 4.606 7.357 -5.983 38 HA TYR 7 HA TYR 7 3.503 9.499 -4.466 39 HB2 TYR 7 HB2 TYR 7 2.862 7.003 -4.465 40 HB3 TYR 7 HB3 TYR 7 4.260 6.766 -3.429 41 HD1 TYR 7 HD1 TYR 7 4.189 7.317 -1.126 42 HD2 TYR 7 HD2 TYR 7 0.939 8.374 -3.672 43 HE1 TYR 7 HE1 TYR 7 2.816 7.842 0.842 44 HE2 TYR 7 HE2 TYR 7 -0.434 8.906 -1.703 45 HH TYR 7 HH TYR 7 0.887 9.152 1.451 46 H GLU 8 H GLU 8 4.890 11.024 -3.749 47 HA GLU 8 HA GLU 8 7.635 10.342 -3.184 48 HB2 GLU 8 HB2 GLU 8 6.693 12.462 -4.384 49 HB3 GLU 8 HB3 GLU 8 6.460 13.064 -2.750 50 HG2 GLU 8 HG2 GLU 8 9.058 12.234 -4.012 51 HG3 GLU 8 HG3 GLU 8 8.539 13.872 -3.646 52 H ASP 9 H ASP 9 7.922 9.347 -1.301 53 HA ASP 9 HA ASP 9 7.678 11.067 1.021 54 HB2 ASP 9 HB2 ASP 9 6.767 9.353 2.477 55 HB3 ASP 9 HB3 ASP 9 5.670 9.599 1.126 56 H HIS 10 H HIS 10 9.601 9.567 -0.944 57 HA HIS 10 HA HIS 10 11.702 9.073 0.912 58 HB2 HIS 10 HB2 HIS 10 12.003 6.643 0.375 59 HB3 HIS 10 HB3 HIS 10 10.583 6.991 1.347 60 HD1 HIS 10 HD1 HIS 10 8.286 6.500 0.314 61 HD2 HIS 10 HD2 HIS 10 11.479 5.735 -2.245 62 HE1 HIS 10 HE1 HIS 10 7.302 5.299 -1.665 63 HE2 HIS 10 HE2 HIS 10 9.293 4.643 -3.075 64 H MET 11 H MET 11 11.056 10.441 -1.716 65 HA MET 11 HA MET 11 13.488 9.485 -3.046 66 HB2 MET 11 HB2 MET 11 12.583 9.758 -5.222 67 HB3 MET 11 HB3 MET 11 11.506 8.716 -4.302 68 HG2 MET 11 HG2 MET 11 9.989 10.531 -3.945 69 HG3 MET 11 HG3 MET 11 11.089 11.649 -4.749 70 HE1 MET 11 HE1 MET 11 8.329 11.874 -5.827 71 HE2 MET 11 HE2 MET 11 8.711 11.808 -7.549 72 HE3 MET 11 HE3 MET 11 9.826 12.588 -6.423 73 H ALA 12 H ALA 12 11.575 12.081 -1.928 74 HA ALA 12 HA ALA 12 13.705 13.921 -2.806 75 HB1 ALA 12 HB1 ALA 12 11.554 14.428 -3.878 76 HB2 ALA 12 HB2 ALA 12 12.088 15.727 -2.813 77 HB3 ALA 12 HB3 ALA 12 10.820 14.622 -2.286 78 H GLU 13 H GLU 13 11.826 12.666 -0.179 79 HA GLU 13 HA GLU 13 13.443 14.259 1.680 80 HB2 GLU 13 HB2 GLU 13 11.527 14.581 3.157 81 HB3 GLU 13 HB3 GLU 13 11.210 15.285 1.577 82 HG2 GLU 13 HG2 GLU 13 9.759 13.507 0.978 83 HG3 GLU 13 HG3 GLU 13 10.249 12.552 2.379 84 H ASP 14 H ASP 14 13.843 13.306 3.690 85 HA ASP 14 HA ASP 14 14.257 11.678 5.212 86 HB2 ASP 14 HB2 ASP 14 11.771 11.827 5.405 87 HB3 ASP 14 HB3 ASP 14 11.664 10.498 4.248 88 H CYS 15 H CYS 15 12.416 9.350 3.439 89 HA CYS 15 HA CYS 15 12.916 7.521 2.234 90 HB2 CYS 15 HB2 CYS 15 14.185 9.097 0.872 91 HB3 CYS 15 HB3 CYS 15 15.606 8.822 1.878 92 HG CYS 15 HG CYS 15 15.732 6.055 1.167 93 H ARG 16 H ARG 16 13.768 7.996 5.195 94 HA ARG 16 HA ARG 16 15.415 5.649 5.509 95 HB2 ARG 16 HB2 ARG 16 14.223 7.669 7.350 96 HB3 ARG 16 HB3 ARG 16 14.670 6.087 7.990 97 HG2 ARG 16 HG2 ARG 16 16.445 7.708 8.271 98 HG3 ARG 16 HG3 ARG 16 16.924 6.376 7.224 99 HD2 ARG 16 HD2 ARG 16 16.414 7.854 5.265 100 HD3 ARG 16 HD3 ARG 16 16.163 9.176 6.405 101 HE ARG 16 HE ARG 16 18.668 8.087 6.941 102 HH11 ARG 16 HH11 ARG 16 17.060 9.794 4.340 103 HH12 ARG 16 HH12 ARG 16 18.526 10.497 3.732 104 HH21 ARG 16 HH21 ARG 16 20.595 8.995 6.127 105 HH22 ARG 16 HH22 ARG 16 20.535 10.032 4.735 106 H GLY 17 H GLY 17 12.706 5.779 4.253 107 HA2 GLY 17 HA2 GLY 17 11.552 3.532 5.764 108 HA3 GLY 17 HA3 GLY 17 10.640 4.569 4.665 109 H ASP 18 H ASP 18 13.808 3.021 4.336 110 HA ASP 18 HA ASP 18 12.779 1.295 2.219 111 HB2 ASP 18 HB2 ASP 18 13.564 3.367 1.090 112 HB3 ASP 18 HB3 ASP 18 15.157 3.128 1.801 113 H ILE 19 H ILE 19 14.017 1.370 4.999 114 HA ILE 19 HA ILE 19 16.503 -0.042 4.732 115 HB ILE 19 HB ILE 19 15.483 -0.247 7.376 116 HG12 ILE 19 HG12 ILE 19 15.578 2.431 7.538 117 HG13 ILE 19 HG13 ILE 19 14.888 2.270 5.938 118 HG21 ILE 19 HG21 ILE 19 17.832 -0.194 6.791 119 HG22 ILE 19 HG22 ILE 19 17.451 1.134 7.885 120 HG23 ILE 19 HG23 ILE 19 17.662 1.446 6.162 121 HD11 ILE 19 HD11 ILE 19 13.047 0.979 6.777 122 HD12 ILE 19 HD12 ILE 19 13.170 2.493 7.677 123 HD13 ILE 19 HD13 ILE 19 13.741 0.989 8.402 124 H GLY 20 H GLY 20 13.764 -0.889 6.771 125 HA2 GLY 20 HA2 GLY 20 13.705 -3.583 5.549 126 HA3 GLY 20 HA3 GLY 20 13.613 -3.356 7.293 127 H ARG 21 H ARG 21 12.161 -1.127 5.155 128 HA ARG 21 HA ARG 21 9.711 -1.006 6.361 129 HB2 ARG 21 HB2 ARG 21 9.040 -0.207 3.889 130 HB3 ARG 21 HB3 ARG 21 9.931 0.785 5.034 131 HG2 ARG 21 HG2 ARG 21 10.977 0.886 2.874 132 HG3 ARG 21 HG3 ARG 21 12.032 0.058 4.019 133 HD2 ARG 21 HD2 ARG 21 11.443 -2.082 3.079 134 HD3 ARG 21 HD3 ARG 21 10.236 -1.338 2.036 135 HE ARG 21 HE ARG 21 12.646 -0.139 1.401 136 HH11 ARG 21 HH11 ARG 21 11.275 -3.347 1.316 137 HH12 ARG 21 HH12 ARG 21 12.267 -3.875 -0.003 138 HH21 ARG 21 HH21 ARG 21 13.932 -0.804 -0.349 139 HH22 ARG 21 HH22 ARG 21 13.773 -2.428 -0.958 140 H THR 22 H THR 22 8.356 -2.627 6.691 141 HA THR 22 HA THR 22 7.599 -4.317 4.406 142 HB THR 22 HB THR 22 6.565 -5.796 6.113 143 HG1 THR 22 HG1 THR 22 6.098 -4.432 7.791 144 HG21 THR 22 HG21 THR 22 9.448 -5.108 6.705 145 HG22 THR 22 HG22 THR 22 8.891 -6.182 5.421 146 HG23 THR 22 HG23 THR 22 8.641 -6.623 7.112 147 H ASN 23 H ASN 23 6.612 -1.800 6.477 148 HA ASN 23 HA ASN 23 3.765 -2.106 6.300 149 HB2 ASN 23 HB2 ASN 23 5.168 -0.793 8.041 150 HB3 ASN 23 HB3 ASN 23 5.247 0.473 6.810 151 HD21 ASN 23 HD21 ASN 23 4.136 1.870 8.193 152 HD22 ASN 23 HD22 ASN 23 2.430 1.732 8.445 153 H LEU 24 H LEU 24 2.669 -1.801 4.439 154 HA LEU 24 HA LEU 24 3.782 0.120 2.509 155 HB2 LEU 24 HB2 LEU 24 3.103 -2.572 2.195 156 HB3 LEU 24 HB3 LEU 24 1.804 -1.687 1.422 157 HG LEU 24 HG LEU 24 3.398 -0.555 -0.030 158 HD11 LEU 24 HD11 LEU 24 5.319 -0.402 1.403 159 HD12 LEU 24 HD12 LEU 24 5.762 -1.318 -0.038 160 HD13 LEU 24 HD13 LEU 24 5.453 -2.157 1.481 161 HD21 LEU 24 HD21 LEU 24 2.448 -2.728 -0.663 162 HD22 LEU 24 HD22 LEU 24 3.868 -3.519 0.025 163 HD23 LEU 24 HD23 LEU 24 4.041 -2.441 -1.361 164 H ILE 25 H ILE 25 2.748 1.928 2.382 165 HA ILE 25 HA ILE 25 -0.045 2.155 3.124 166 HB ILE 25 HB ILE 25 1.600 3.951 3.689 167 HG12 ILE 25 HG12 ILE 25 -0.724 4.704 1.918 168 HG13 ILE 25 HG13 ILE 25 -0.759 4.417 3.656 169 HG21 ILE 25 HG21 ILE 25 2.315 5.504 1.941 170 HG22 ILE 25 HG22 ILE 25 1.604 4.449 0.720 171 HG23 ILE 25 HG23 ILE 25 2.963 3.881 1.692 172 HD11 ILE 25 HD11 ILE 25 0.627 6.372 4.023 173 HD12 ILE 25 HD12 ILE 25 -0.836 6.789 3.129 174 HD13 ILE 25 HD13 ILE 25 0.707 6.655 2.284 175 H VAL 26 H VAL 26 -1.700 2.244 1.686 176 HA VAL 26 HA VAL 26 -0.952 2.253 -1.170 177 HB VAL 26 HB VAL 26 -3.276 0.703 -0.048 178 HG11 VAL 26 HG11 VAL 26 -3.412 1.312 -2.407 179 HG12 VAL 26 HG12 VAL 26 -3.169 -0.426 -2.220 180 HG13 VAL 26 HG13 VAL 26 -1.821 0.608 -2.689 181 HG21 VAL 26 HG21 VAL 26 -0.509 -0.275 -0.716 182 HG22 VAL 26 HG22 VAL 26 -1.884 -1.292 -0.292 183 HG23 VAL 26 HG23 VAL 26 -1.211 -0.177 0.899 184 H ASN 27 H ASN 27 -1.618 4.095 -1.954 185 HA ASN 27 HA ASN 27 -4.052 5.315 -0.878 186 HB2 ASN 27 HB2 ASN 27 -1.595 6.410 -1.542 187 HB3 ASN 27 HB3 ASN 27 -2.614 6.847 -2.900 188 HD21 ASN 27 HD21 ASN 27 -1.874 7.391 0.389 189 HD22 ASN 27 HD22 ASN 27 -3.029 8.645 0.677 190 H TYR 28 H TYR 28 -5.203 6.620 -2.673 191 HA TYR 28 HA TYR 28 -6.534 6.636 -4.507 192 HB2 TYR 28 HB2 TYR 28 -4.356 4.935 -5.731 193 HB3 TYR 28 HB3 TYR 28 -5.609 5.792 -6.615 194 HD1 TYR 28 HD1 TYR 28 -2.531 6.122 -4.675 195 HD2 TYR 28 HD2 TYR 28 -5.437 8.206 -6.967 196 HE1 TYR 28 HE1 TYR 28 -1.032 8.064 -4.764 197 HE2 TYR 28 HE2 TYR 28 -3.949 10.164 -7.074 198 HH TYR 28 HH TYR 28 -2.071 11.129 -5.835 199 H LEU 29 H LEU 29 -6.693 4.436 -2.493 200 HA LEU 29 HA LEU 29 -7.598 2.063 -3.794 201 HB2 LEU 29 HB2 LEU 29 -8.274 3.191 -1.068 202 HB3 LEU 29 HB3 LEU 29 -8.724 1.591 -1.622 203 HG LEU 29 HG LEU 29 -5.974 2.630 -0.993 204 HD11 LEU 29 HD11 LEU 29 -7.441 0.177 -0.032 205 HD12 LEU 29 HD12 LEU 29 -7.413 1.722 0.825 206 HD13 LEU 29 HD13 LEU 29 -5.914 0.826 0.575 207 HD21 LEU 29 HD21 LEU 29 -5.733 1.459 -3.063 208 HD22 LEU 29 HD22 LEU 29 -6.736 0.130 -2.484 209 HD23 LEU 29 HD23 LEU 29 -5.152 0.419 -1.765 210 HA PRO 30 HA PRO 30 -11.579 3.334 -5.301 211 HB2 PRO 30 HB2 PRO 30 -12.541 0.693 -4.369 212 HB3 PRO 30 HB3 PRO 30 -12.585 1.393 -5.983 213 HG2 PRO 30 HG2 PRO 30 -10.883 -0.581 -5.341 214 HG3 PRO 30 HG3 PRO 30 -10.453 0.692 -6.496 215 HD2 PRO 30 HD2 PRO 30 -9.604 0.325 -3.668 216 HD3 PRO 30 HD3 PRO 30 -8.700 0.991 -5.042 217 H GLN 31 H GLN 31 -13.350 4.270 -4.376 218 HA GLN 31 HA GLN 31 -13.316 4.658 -1.570 219 HB2 GLN 31 HB2 GLN 31 -15.443 5.404 -3.573 220 HB3 GLN 31 HB3 GLN 31 -15.298 6.042 -1.941 221 HG2 GLN 31 HG2 GLN 31 -13.210 6.354 -4.074 222 HG3 GLN 31 HG3 GLN 31 -14.447 7.554 -3.707 223 HE21 GLN 31 HE21 GLN 31 -11.516 6.038 -2.662 224 HE22 GLN 31 HE22 GLN 31 -11.161 7.138 -1.378 225 H ASN 32 H ASN 32 -14.667 2.255 -3.489 226 HA ASN 32 HA ASN 32 -16.666 1.547 -1.453 227 HB2 ASN 32 HB2 ASN 32 -17.838 0.338 -3.233 228 HB3 ASN 32 HB3 ASN 32 -17.624 2.031 -3.662 229 HD21 ASN 32 HD21 ASN 32 -18.074 -0.306 -5.351 230 HD22 ASN 32 HD22 ASN 32 -16.755 -0.344 -6.469 231 H MET 33 H MET 33 -13.628 0.819 -1.907 232 HA MET 33 HA MET 33 -13.876 -2.074 -2.154 233 HB2 MET 33 HB2 MET 33 -11.938 -0.327 -2.935 234 HB3 MET 33 HB3 MET 33 -11.263 -0.953 -1.438 235 HG2 MET 33 HG2 MET 33 -11.522 -3.223 -2.267 236 HG3 MET 33 HG3 MET 33 -12.210 -2.608 -3.759 237 HE1 MET 33 HE1 MET 33 -8.935 -2.518 -1.487 238 HE2 MET 33 HE2 MET 33 -9.375 -0.837 -1.822 239 HE3 MET 33 HE3 MET 33 -7.912 -1.522 -2.530 240 H THR 34 H THR 34 -12.510 -3.401 -0.561 241 HA THR 34 HA THR 34 -13.097 -2.476 2.175 242 HB THR 34 HB THR 34 -13.653 -4.717 2.818 243 HG1 THR 34 HG1 THR 34 -13.541 -6.398 1.115 244 HG21 THR 34 HG21 THR 34 -15.425 -3.494 1.597 245 HG22 THR 34 HG22 THR 34 -15.542 -5.242 1.392 246 HG23 THR 34 HG23 THR 34 -14.873 -4.246 0.097 247 H GLN 35 H GLN 35 -11.732 -3.535 3.887 248 HA GLN 35 HA GLN 35 -8.995 -3.529 3.464 249 HB2 GLN 35 HB2 GLN 35 -10.497 -5.314 5.388 250 HB3 GLN 35 HB3 GLN 35 -8.774 -4.996 5.432 251 HG2 GLN 35 HG2 GLN 35 -9.733 -3.700 7.118 252 HG3 GLN 35 HG3 GLN 35 -9.333 -2.594 5.818 253 HE21 GLN 35 HE21 GLN 35 -12.126 -4.693 5.688 254 HE22 GLN 35 HE22 GLN 35 -13.306 -3.438 5.859 255 H ASP 36 H ASP 36 -11.274 -6.192 3.353 256 HA ASP 36 HA ASP 36 -9.454 -8.281 2.971 257 HB2 ASP 36 HB2 ASP 36 -11.809 -8.586 3.617 258 HB3 ASP 36 HB3 ASP 36 -12.320 -8.040 2.026 259 H GLU 37 H GLU 37 -11.064 -6.165 0.622 260 HA GLU 37 HA GLU 37 -10.135 -7.595 -1.655 261 HB2 GLU 37 HB2 GLU 37 -10.984 -4.705 -1.404 262 HB3 GLU 37 HB3 GLU 37 -10.772 -5.566 -2.918 263 HG2 GLU 37 HG2 GLU 37 -12.781 -6.300 -0.800 264 HG3 GLU 37 HG3 GLU 37 -13.138 -5.324 -2.224 265 H LEU 38 H LEU 38 -9.030 -4.621 -0.033 266 HA LEU 38 HA LEU 38 -6.741 -4.147 -1.533 267 HB2 LEU 38 HB2 LEU 38 -7.433 -2.570 0.141 268 HB3 LEU 38 HB3 LEU 38 -7.288 -3.771 1.413 269 HG LEU 38 HG LEU 38 -4.797 -3.877 0.583 270 HD11 LEU 38 HD11 LEU 38 -3.999 -1.741 -0.197 271 HD12 LEU 38 HD12 LEU 38 -5.651 -1.117 -0.208 272 HD13 LEU 38 HD13 LEU 38 -5.195 -2.421 -1.301 273 HD21 LEU 38 HD21 LEU 38 -5.448 -3.298 2.811 274 HD22 LEU 38 HD22 LEU 38 -5.907 -1.671 2.295 275 HD23 LEU 38 HD23 LEU 38 -4.216 -2.178 2.236 276 H ARG 39 H ARG 39 -7.109 -5.911 1.448 277 HA ARG 39 HA ARG 39 -4.596 -6.882 1.853 278 HB2 ARG 39 HB2 ARG 39 -6.778 -6.947 3.269 279 HB3 ARG 39 HB3 ARG 39 -7.049 -8.489 2.500 280 HG2 ARG 39 HG2 ARG 39 -4.518 -7.912 3.971 281 HG3 ARG 39 HG3 ARG 39 -5.967 -8.448 4.805 282 HD2 ARG 39 HD2 ARG 39 -5.997 -10.367 3.128 283 HD3 ARG 39 HD3 ARG 39 -4.328 -9.910 2.766 284 HE ARG 39 HE ARG 39 -4.984 -10.336 5.576 285 HH11 ARG 39 HH11 ARG 39 -3.548 -11.679 2.670 286 HH12 ARG 39 HH12 ARG 39 -2.694 -12.924 3.529 287 HH21 ARG 39 HH21 ARG 39 -3.864 -11.981 6.686 288 HH22 ARG 39 HH22 ARG 39 -2.862 -13.085 5.800 289 H SER 40 H SER 40 -7.282 -8.492 0.037 290 HA SER 40 HA SER 40 -5.849 -10.878 -0.448 291 HB2 SER 40 HB2 SER 40 -8.125 -9.643 -2.012 292 HB3 SER 40 HB3 SER 40 -7.542 -11.294 -2.222 293 HG SER 40 HG SER 40 -8.847 -10.136 0.006 294 H LEU 41 H LEU 41 -6.108 -7.892 -2.279 295 HA LEU 41 HA LEU 41 -4.739 -8.698 -4.606 296 HB2 LEU 41 HB2 LEU 41 -6.206 -6.665 -4.154 297 HB3 LEU 41 HB3 LEU 41 -4.813 -5.962 -3.376 298 HG LEU 41 HG LEU 41 -5.490 -5.532 -5.927 299 HD11 LEU 41 HD11 LEU 41 -2.687 -5.609 -4.860 300 HD12 LEU 41 HD12 LEU 41 -3.847 -4.306 -4.613 301 HD13 LEU 41 HD13 LEU 41 -3.249 -4.661 -6.234 302 HD21 LEU 41 HD21 LEU 41 -5.097 -7.846 -6.608 303 HD22 LEU 41 HD22 LEU 41 -3.433 -7.740 -6.024 304 HD23 LEU 41 HD23 LEU 41 -3.957 -6.753 -7.391 305 H PHE 42 H PHE 42 -3.614 -7.233 -1.592 306 HA PHE 42 HA PHE 42 -0.887 -7.325 -2.465 307 HB2 PHE 42 HB2 PHE 42 -2.202 -6.645 0.151 308 HB3 PHE 42 HB3 PHE 42 -0.447 -6.769 0.006 309 HD1 PHE 42 HD1 PHE 42 -3.426 -5.020 -1.351 310 HD2 PHE 42 HD2 PHE 42 0.821 -5.022 -0.924 311 HE1 PHE 42 HE1 PHE 42 -3.314 -2.780 -2.345 312 HE2 PHE 42 HE2 PHE 42 0.910 -2.751 -1.907 313 HZ PHE 42 HZ PHE 42 -1.146 -1.667 -2.619 314 H SER 43 H SER 43 -3.029 -9.529 -0.878 315 HA SER 43 HA SER 43 -1.025 -11.305 0.069 316 HB2 SER 43 HB2 SER 43 -3.903 -11.863 -0.687 317 HB3 SER 43 HB3 SER 43 -2.877 -12.841 0.342 318 HG SER 43 HG SER 43 -3.497 -10.153 0.916 319 H SER 44 H SER 44 -2.337 -10.518 -2.970 320 HA SER 44 HA SER 44 -1.760 -12.952 -4.316 321 HB2 SER 44 HB2 SER 44 -3.393 -11.654 -5.347 322 HB3 SER 44 HB3 SER 44 -2.487 -10.153 -5.176 323 HG SER 44 HG SER 44 -1.317 -10.658 -6.921 324 H ILE 45 H ILE 45 0.004 -10.003 -3.629 325 HA ILE 45 HA ILE 45 2.371 -10.671 -5.054 326 HB ILE 45 HB ILE 45 1.792 -8.870 -2.718 327 HG12 ILE 45 HG12 ILE 45 1.241 -8.319 -5.146 328 HG13 ILE 45 HG13 ILE 45 2.183 -7.123 -4.257 329 HG21 ILE 45 HG21 ILE 45 4.518 -9.358 -3.916 330 HG22 ILE 45 HG22 ILE 45 4.018 -9.770 -2.277 331 HG23 ILE 45 HG23 ILE 45 4.125 -8.078 -2.771 332 HD11 ILE 45 HD11 ILE 45 4.173 -7.768 -5.330 333 HD12 ILE 45 HD12 ILE 45 2.937 -7.581 -6.579 334 HD13 ILE 45 HD13 ILE 45 3.410 -9.192 -6.042 335 H GLY 46 H GLY 46 1.288 -11.227 -1.749 336 HA2 GLY 46 HA2 GLY 46 2.616 -13.649 -1.367 337 HA3 GLY 46 HA3 GLY 46 3.673 -12.368 -0.780 338 H GLU 47 H GLU 47 3.309 -13.478 1.340 339 HA GLU 47 HA GLU 47 0.703 -13.303 2.455 340 HB2 GLU 47 HB2 GLU 47 1.875 -13.865 4.598 341 HB3 GLU 47 HB3 GLU 47 2.101 -15.024 3.279 342 HG2 GLU 47 HG2 GLU 47 3.972 -12.821 3.474 343 HG3 GLU 47 HG3 GLU 47 4.073 -14.043 4.731 344 H VAL 48 H VAL 48 0.053 -12.024 4.145 345 HA VAL 48 HA VAL 48 1.323 -9.371 4.214 346 HB VAL 48 HB VAL 48 -1.589 -10.021 3.758 347 HG11 VAL 48 HG11 VAL 48 -2.044 -7.605 3.967 348 HG12 VAL 48 HG12 VAL 48 -0.397 -7.377 4.564 349 HG13 VAL 48 HG13 VAL 48 -1.542 -8.348 5.489 350 HG21 VAL 48 HG21 VAL 48 -1.342 -8.522 1.836 351 HG22 VAL 48 HG22 VAL 48 -0.224 -9.882 1.754 352 HG23 VAL 48 HG23 VAL 48 0.356 -8.292 2.244 353 H GLU 49 H GLU 49 1.765 -8.729 6.063 354 HA GLU 49 HA GLU 49 1.308 -10.197 8.367 355 HB2 GLU 49 HB2 GLU 49 3.194 -8.686 7.832 356 HB3 GLU 49 HB3 GLU 49 2.135 -7.337 8.210 357 HG2 GLU 49 HG2 GLU 49 2.623 -9.580 10.124 358 HG3 GLU 49 HG3 GLU 49 3.692 -8.209 10.001 359 H SER 50 H SER 50 -0.027 -7.114 7.223 360 HA SER 50 HA SER 50 -2.625 -7.709 8.231 361 HB2 SER 50 HB2 SER 50 -2.738 -5.794 9.864 362 HB3 SER 50 HB3 SER 50 -1.722 -7.133 10.393 363 HG SER 50 HG SER 50 0.065 -5.949 10.077 364 H ALA 51 H ALA 51 -4.068 -6.643 6.956 365 HA ALA 51 HA ALA 51 -3.097 -4.193 5.647 366 HB1 ALA 51 HB1 ALA 51 -3.355 -6.112 4.092 367 HB2 ALA 51 HB2 ALA 51 -4.315 -4.695 3.677 368 HB3 ALA 51 HB3 ALA 51 -5.089 -6.093 4.433 369 H LYS 52 H LYS 52 -4.091 -2.438 6.124 370 HA LYS 52 HA LYS 52 -6.739 -2.576 7.395 371 HB2 LYS 52 HB2 LYS 52 -4.842 -1.734 8.750 372 HB3 LYS 52 HB3 LYS 52 -4.563 -0.482 7.550 373 HG2 LYS 52 HG2 LYS 52 -6.993 0.216 8.051 374 HG3 LYS 52 HG3 LYS 52 -6.776 -0.736 9.526 375 HD2 LYS 52 HD2 LYS 52 -4.926 1.441 8.607 376 HD3 LYS 52 HD3 LYS 52 -6.206 1.666 9.804 377 HE2 LYS 52 HE2 LYS 52 -3.901 -0.262 10.044 378 HE3 LYS 52 HE3 LYS 52 -3.972 1.326 10.806 379 HZ1 LYS 52 HZ1 LYS 52 -5.832 0.624 12.112 380 HZ2 LYS 52 HZ2 LYS 52 -4.595 -0.513 12.299 381 HZ3 LYS 52 HZ3 LYS 52 -5.916 -0.861 11.307 382 H LEU 53 H LEU 53 -8.378 -1.302 6.603 383 HA LEU 53 HA LEU 53 -7.767 0.372 4.258 384 HB2 LEU 53 HB2 LEU 53 -9.135 -1.537 3.646 385 HB3 LEU 53 HB3 LEU 53 -10.272 -1.173 4.926 386 HG LEU 53 HG LEU 53 -10.315 1.148 3.495 387 HD11 LEU 53 HD11 LEU 53 -10.572 0.453 1.139 388 HD12 LEU 53 HD12 LEU 53 -9.939 -1.142 1.567 389 HD13 LEU 53 HD13 LEU 53 -8.917 0.295 1.736 390 HD21 LEU 53 HD21 LEU 53 -12.004 -1.325 3.170 391 HD22 LEU 53 HD22 LEU 53 -12.451 0.280 2.595 392 HD23 LEU 53 HD23 LEU 53 -12.254 -0.015 4.322 393 H ILE 54 H ILE 54 -8.437 2.447 4.322 394 HA ILE 54 HA ILE 54 -9.447 3.346 6.927 395 HB ILE 54 HB ILE 54 -8.253 4.996 4.706 396 HG12 ILE 54 HG12 ILE 54 -6.545 3.481 5.446 397 HG13 ILE 54 HG13 ILE 54 -6.201 5.051 6.154 398 HG21 ILE 54 HG21 ILE 54 -8.772 5.638 7.603 399 HG22 ILE 54 HG22 ILE 54 -9.650 6.277 6.216 400 HG23 ILE 54 HG23 ILE 54 -7.953 6.695 6.454 401 HD11 ILE 54 HD11 ILE 54 -7.505 2.740 7.571 402 HD12 ILE 54 HD12 ILE 54 -7.101 4.302 8.281 403 HD13 ILE 54 HD13 ILE 54 -5.818 3.226 7.725 404 H ARG 55 H ARG 55 -11.515 3.954 7.103 405 HA ARG 55 HA ARG 55 -12.837 4.984 4.690 406 HB2 ARG 55 HB2 ARG 55 -14.214 3.244 6.732 407 HB3 ARG 55 HB3 ARG 55 -14.869 3.839 5.213 408 HG2 ARG 55 HG2 ARG 55 -12.827 2.497 4.219 409 HG3 ARG 55 HG3 ARG 55 -13.001 1.601 5.728 410 HD2 ARG 55 HD2 ARG 55 -15.180 2.091 3.701 411 HD3 ARG 55 HD3 ARG 55 -14.300 0.578 3.930 412 HE ARG 55 HE ARG 55 -15.397 1.186 6.383 413 HH11 ARG 55 HH11 ARG 55 -16.568 0.573 3.147 414 HH12 ARG 55 HH12 ARG 55 -18.099 -0.044 3.679 415 HH21 ARG 55 HH21 ARG 55 -17.412 0.373 7.091 416 HH22 ARG 55 HH22 ARG 55 -18.573 -0.173 5.924 417 H ASP 56 H ASP 56 -14.905 6.117 5.249 418 HA ASP 56 HA ASP 56 -14.288 8.172 7.141 419 HB2 ASP 56 HB2 ASP 56 -15.479 8.481 4.919 420 HB3 ASP 56 HB3 ASP 56 -16.896 7.803 5.707 421 H LYS 57 H LYS 57 -15.426 8.749 8.914 422 HA LYS 57 HA LYS 57 -16.435 6.667 10.540 423 HB2 LYS 57 HB2 LYS 57 -16.263 8.235 12.254 424 HB3 LYS 57 HB3 LYS 57 -14.932 8.579 11.182 425 HG2 LYS 57 HG2 LYS 57 -17.498 10.078 11.433 426 HG3 LYS 57 HG3 LYS 57 -15.908 10.617 11.939 427 HD2 LYS 57 HD2 LYS 57 -16.595 9.991 9.052 428 HD3 LYS 57 HD3 LYS 57 -16.764 11.604 9.763 429 HE2 LYS 57 HE2 LYS 57 -14.198 10.014 9.651 430 HE3 LYS 57 HE3 LYS 57 -14.636 11.308 8.541 431 HZ1 LYS 57 HZ1 LYS 57 -14.697 12.834 10.432 432 HZ2 LYS 57 HZ2 LYS 57 -13.172 12.122 10.254 433 HZ3 LYS 57 HZ3 LYS 57 -14.217 11.583 11.467 434 H VAL 58 H VAL 58 -17.865 8.621 8.290 435 HA VAL 58 HA VAL 58 -20.461 8.560 9.673 436 HB VAL 58 HB VAL 58 -19.334 10.697 7.866 437 HG11 VAL 58 HG11 VAL 58 -22.053 10.498 9.132 438 HG12 VAL 58 HG12 VAL 58 -21.682 10.475 7.406 439 HG13 VAL 58 HG13 VAL 58 -21.399 11.937 8.353 440 HG21 VAL 58 HG21 VAL 58 -19.430 12.098 9.830 441 HG22 VAL 58 HG22 VAL 58 -18.474 10.645 10.148 442 HG23 VAL 58 HG23 VAL 58 -20.120 10.772 10.768 443 H ALA 59 H ALA 59 -19.072 9.020 6.432 444 HA ALA 59 HA ALA 59 -21.500 8.101 5.223 445 HB1 ALA 59 HB1 ALA 59 -18.899 8.858 3.930 446 HB2 ALA 59 HB2 ALA 59 -20.250 9.944 4.249 447 HB3 ALA 59 HB3 ALA 59 -20.437 8.616 3.103 448 H GLY 60 H GLY 60 -18.952 6.542 6.496 449 HA2 GLY 60 HA2 GLY 60 -18.230 4.370 6.477 450 HA3 GLY 60 HA3 GLY 60 -19.816 3.998 5.829 451 H HIS 61 H HIS 61 -17.363 5.949 4.213 452 HA HIS 61 HA HIS 61 -17.092 3.780 2.232 453 HB2 HIS 61 HB2 HIS 61 -17.099 5.338 0.442 454 HB3 HIS 61 HB3 HIS 61 -18.418 5.846 1.483 455 HD1 HIS 61 HD1 HIS 61 -15.971 7.323 -0.487 456 HD2 HIS 61 HD2 HIS 61 -17.184 7.936 3.434 457 HE1 HIS 61 HE1 HIS 61 -15.201 9.639 0.101 458 HE2 HIS 61 HE2 HIS 61 -16.112 10.058 2.410 459 H SER 62 H SER 62 -15.039 3.440 1.341 460 HA SER 62 HA SER 62 -12.828 3.940 2.950 461 HB2 SER 62 HB2 SER 62 -12.830 2.158 1.275 462 HB3 SER 62 HB3 SER 62 -12.933 3.345 -0.023 463 HG SER 62 HG SER 62 -10.793 2.585 0.320 464 H LEU 63 H LEU 63 -11.292 5.511 3.006 465 HA LEU 63 HA LEU 63 -12.054 8.013 1.735 466 HB2 LEU 63 HB2 LEU 63 -9.996 7.404 3.853 467 HB3 LEU 63 HB3 LEU 63 -10.345 9.010 3.239 468 HG LEU 63 HG LEU 63 -12.192 7.219 4.811 469 HD11 LEU 63 HD11 LEU 63 -11.003 9.922 5.398 470 HD12 LEU 63 HD12 LEU 63 -10.578 8.394 6.170 471 HD13 LEU 63 HD13 LEU 63 -12.188 9.082 6.400 472 HD21 LEU 63 HD21 LEU 63 -12.755 9.767 3.326 473 HD22 LEU 63 HD22 LEU 63 -13.748 9.209 4.671 474 HD23 LEU 63 HD23 LEU 63 -13.601 8.221 3.216 475 H GLY 64 H GLY 64 -10.354 5.501 0.742 476 HA2 GLY 64 HA2 GLY 64 -9.384 5.551 -1.399 477 HA3 GLY 64 HA3 GLY 64 -8.966 7.236 -1.153 478 H TYR 65 H TYR 65 -8.150 5.115 1.441 479 HA TYR 65 HA TYR 65 -5.660 4.273 0.329 480 HB2 TYR 65 HB2 TYR 65 -4.135 5.544 1.674 481 HB3 TYR 65 HB3 TYR 65 -5.176 6.668 0.817 482 HD1 TYR 65 HD1 TYR 65 -3.802 5.746 3.914 483 HD2 TYR 65 HD2 TYR 65 -7.193 7.611 2.158 484 HE1 TYR 65 HE1 TYR 65 -4.266 6.879 6.031 485 HE2 TYR 65 HE2 TYR 65 -7.670 8.749 4.276 486 HH TYR 65 HH TYR 65 -5.441 8.925 6.808 487 H GLY 66 H GLY 66 -4.287 3.151 1.916 488 HA2 GLY 66 HA2 GLY 66 -5.445 2.357 4.426 489 HA3 GLY 66 HA3 GLY 66 -5.526 1.105 3.199 490 H PHE 67 H PHE 67 -4.142 0.115 5.023 491 HA PHE 67 HA PHE 67 -1.312 0.619 4.434 492 HB2 PHE 67 HB2 PHE 67 -2.467 0.467 7.233 493 HB3 PHE 67 HB3 PHE 67 -0.754 0.550 6.842 494 HD1 PHE 67 HD1 PHE 67 0.241 2.611 6.052 495 HD2 PHE 67 HD2 PHE 67 -3.878 2.412 7.086 496 HE1 PHE 67 HE1 PHE 67 0.143 5.067 6.112 497 HE2 PHE 67 HE2 PHE 67 -3.987 4.867 7.148 498 HZ PHE 67 HZ PHE 67 -1.974 6.198 6.660 499 H VAL 68 H VAL 68 -0.729 -1.315 3.614 500 HA VAL 68 HA VAL 68 -1.454 -3.674 5.171 501 HB VAL 68 HB VAL 68 -2.281 -4.429 3.258 502 HG11 VAL 68 HG11 VAL 68 -2.190 -2.234 2.267 503 HG12 VAL 68 HG12 VAL 68 -1.902 -3.507 1.079 504 HG13 VAL 68 HG13 VAL 68 -0.550 -2.552 1.696 505 HG21 VAL 68 HG21 VAL 68 -0.712 -5.537 1.703 506 HG22 VAL 68 HG22 VAL 68 -0.351 -5.879 3.394 507 HG23 VAL 68 HG23 VAL 68 0.626 -4.709 2.501 508 H ASN 69 H ASN 69 0.039 -4.064 6.520 509 HA ASN 69 HA ASN 69 2.843 -3.728 6.015 510 HB2 ASN 69 HB2 ASN 69 1.645 -3.567 8.279 511 HB3 ASN 69 HB3 ASN 69 1.567 -5.315 8.228 512 HD21 ASN 69 HD21 ASN 69 2.851 -5.686 9.939 513 HD22 ASN 69 HD22 ASN 69 4.550 -5.342 9.966 514 H TYR 70 H TYR 70 4.095 -5.196 5.011 515 HA TYR 70 HA TYR 70 3.037 -7.866 4.573 516 HB2 TYR 70 HB2 TYR 70 5.315 -6.272 3.467 517 HB3 TYR 70 HB3 TYR 70 5.397 -8.023 3.392 518 HD1 TYR 70 HD1 TYR 70 3.472 -9.247 2.273 519 HD2 TYR 70 HD2 TYR 70 4.166 -5.079 1.804 520 HE1 TYR 70 HE1 TYR 70 2.147 -9.270 0.209 521 HE2 TYR 70 HE2 TYR 70 2.827 -5.092 -0.257 522 HH TYR 70 HH TYR 70 0.994 -7.883 -1.237 523 H VAL 71 H VAL 71 4.522 -9.725 4.885 524 HA VAL 71 HA VAL 71 5.710 -9.665 7.510 525 HB VAL 71 HB VAL 71 6.078 -12.000 7.271 526 HG11 VAL 71 HG11 VAL 71 3.514 -11.257 5.865 527 HG12 VAL 71 HG12 VAL 71 3.756 -11.421 7.605 528 HG13 VAL 71 HG13 VAL 71 3.858 -12.843 6.558 529 HG21 VAL 71 HG21 VAL 71 5.557 -11.687 4.319 530 HG22 VAL 71 HG22 VAL 71 5.865 -13.206 5.160 531 HG23 VAL 71 HG23 VAL 71 7.124 -11.977 5.074 532 H THR 72 H THR 72 6.616 -9.082 4.331 533 HA THR 72 HA THR 72 9.498 -9.216 4.906 534 HB THR 72 HB THR 72 9.558 -9.581 2.314 535 HG1 THR 72 HG1 THR 72 7.716 -10.921 1.689 536 HG21 THR 72 HG21 THR 72 10.438 -11.183 3.950 537 HG22 THR 72 HG22 THR 72 9.651 -11.985 2.586 538 HG23 THR 72 HG23 THR 72 8.820 -11.862 4.146 539 H ALA 73 H ALA 73 10.706 -7.529 4.082 540 HA ALA 73 HA ALA 73 9.332 -5.273 2.913 541 HB1 ALA 73 HB1 ALA 73 11.170 -4.826 4.407 542 HB2 ALA 73 HB2 ALA 73 11.607 -4.287 2.784 543 HB3 ALA 73 HB3 ALA 73 12.262 -5.797 3.418 544 H LYS 74 H LYS 74 10.899 -8.115 1.982 545 HA LYS 74 HA LYS 74 11.660 -7.596 -0.665 546 HB2 LYS 74 HB2 LYS 74 12.448 -9.551 0.381 547 HB3 LYS 74 HB3 LYS 74 10.839 -10.052 0.857 548 HG2 LYS 74 HG2 LYS 74 11.092 -9.842 -2.010 549 HG3 LYS 74 HG3 LYS 74 12.275 -10.953 -1.312 550 HD2 LYS 74 HD2 LYS 74 10.664 -12.363 -0.478 551 HD3 LYS 74 HD3 LYS 74 9.442 -11.093 -0.398 552 HE2 LYS 74 HE2 LYS 74 8.832 -12.551 -2.181 553 HE3 LYS 74 HE3 LYS 74 9.440 -11.051 -2.887 554 HZ1 LYS 74 HZ1 LYS 74 11.560 -12.133 -3.277 555 HZ2 LYS 74 HZ2 LYS 74 10.312 -12.981 -4.040 556 HZ3 LYS 74 HZ3 LYS 74 10.983 -13.571 -2.604 557 H ASP 75 H ASP 75 8.599 -8.933 0.593 558 HA ASP 75 HA ASP 75 7.363 -8.796 -2.004 559 HB2 ASP 75 HB2 ASP 75 6.248 -9.432 0.730 560 HB3 ASP 75 HB3 ASP 75 5.278 -9.444 -0.738 561 H ALA 76 H ALA 76 7.802 -6.620 0.600 562 HA ALA 76 HA ALA 76 5.645 -4.857 0.131 563 HB1 ALA 76 HB1 ALA 76 6.925 -4.535 2.114 564 HB2 ALA 76 HB2 ALA 76 7.213 -3.115 1.103 565 HB3 ALA 76 HB3 ALA 76 8.427 -4.389 1.202 566 H GLU 77 H GLU 77 9.022 -4.638 -1.009 567 HA GLU 77 HA GLU 77 8.560 -2.654 -2.950 568 HB2 GLU 77 HB2 GLU 77 10.806 -3.128 -2.271 569 HB3 GLU 77 HB3 GLU 77 10.655 -4.825 -2.713 570 HG2 GLU 77 HG2 GLU 77 10.573 -4.258 -5.042 571 HG3 GLU 77 HG3 GLU 77 10.562 -2.537 -4.664 572 H ARG 78 H ARG 78 8.138 -6.117 -2.964 573 HA ARG 78 HA ARG 78 7.869 -6.543 -5.720 574 HB2 ARG 78 HB2 ARG 78 8.159 -8.247 -3.888 575 HB3 ARG 78 HB3 ARG 78 6.470 -8.006 -3.490 576 HG2 ARG 78 HG2 ARG 78 5.824 -8.825 -5.687 577 HG3 ARG 78 HG3 ARG 78 7.525 -9.040 -6.107 578 HD2 ARG 78 HD2 ARG 78 7.779 -10.616 -4.256 579 HD3 ARG 78 HD3 ARG 78 6.082 -10.412 -3.843 580 HE ARG 78 HE ARG 78 6.333 -11.242 -6.530 581 HH11 ARG 78 HH11 ARG 78 6.526 -12.391 -3.229 582 HH12 ARG 78 HH12 ARG 78 6.266 -14.057 -3.663 583 HH21 ARG 78 HH21 ARG 78 5.987 -13.431 -7.108 584 HH22 ARG 78 HH22 ARG 78 5.966 -14.645 -5.871 585 H ALA 79 H ALA 79 5.595 -5.609 -3.183 586 HA ALA 79 HA ALA 79 3.325 -5.590 -4.893 587 HB1 ALA 79 HB1 ALA 79 2.230 -4.299 -3.035 588 HB2 ALA 79 HB2 ALA 79 3.778 -4.348 -2.175 589 HB3 ALA 79 HB3 ALA 79 2.929 -5.849 -2.554 590 H ILE 80 H ILE 80 5.685 -3.157 -3.902 591 HA ILE 80 HA ILE 80 4.276 -0.983 -5.035 592 HB ILE 80 HB ILE 80 7.233 -1.166 -4.662 593 HG12 ILE 80 HG12 ILE 80 5.100 -0.234 -2.736 594 HG13 ILE 80 HG13 ILE 80 5.992 -1.743 -2.602 595 HG21 ILE 80 HG21 ILE 80 5.357 1.190 -4.735 596 HG22 ILE 80 HG22 ILE 80 6.455 0.699 -6.033 597 HG23 ILE 80 HG23 ILE 80 7.105 1.255 -4.484 598 HD11 ILE 80 HD11 ILE 80 8.042 -0.539 -2.293 599 HD12 ILE 80 HD12 ILE 80 6.839 -0.013 -1.116 600 HD13 ILE 80 HD13 ILE 80 7.202 0.994 -2.518 601 H ASN 81 H ASN 81 6.610 -3.231 -6.438 602 HA ASN 81 HA ASN 81 6.651 -1.608 -8.831 603 HB2 ASN 81 HB2 ASN 81 8.151 -3.350 -9.748 604 HB3 ASN 81 HB3 ASN 81 8.722 -2.632 -8.244 605 HD21 ASN 81 HD21 ASN 81 9.852 -4.109 -7.270 606 HD22 ASN 81 HD22 ASN 81 9.361 -5.736 -6.956 607 H THR 82 H THR 82 5.062 -4.423 -7.644 608 HA THR 82 HA THR 82 4.084 -5.122 -10.269 609 HB THR 82 HB THR 82 3.872 -6.388 -7.574 610 HG1 THR 82 HG1 THR 82 5.777 -6.761 -8.712 611 HG21 THR 82 HG21 THR 82 1.730 -6.872 -8.427 612 HG22 THR 82 HG22 THR 82 2.704 -8.299 -8.792 613 HG23 THR 82 HG23 THR 82 2.351 -7.126 -10.063 614 H LEU 83 H LEU 83 2.659 -4.260 -7.109 615 HA LEU 83 HA LEU 83 0.009 -4.266 -8.258 616 HB2 LEU 83 HB2 LEU 83 1.020 -3.849 -5.482 617 HB3 LEU 83 HB3 LEU 83 -0.675 -3.764 -5.888 618 HG LEU 83 HG LEU 83 1.139 -6.175 -6.065 619 HD11 LEU 83 HD11 LEU 83 -0.979 -5.241 -4.211 620 HD12 LEU 83 HD12 LEU 83 0.499 -6.144 -3.883 621 HD13 LEU 83 HD13 LEU 83 -0.908 -6.966 -4.570 622 HD21 LEU 83 HD21 LEU 83 -0.905 -7.401 -6.748 623 HD22 LEU 83 HD22 LEU 83 -0.303 -6.274 -7.964 624 HD23 LEU 83 HD23 LEU 83 -1.706 -5.848 -6.985 625 H ASN 84 H ASN 84 2.359 -1.869 -7.322 626 HA ASN 84 HA ASN 84 0.568 0.269 -6.941 627 HB2 ASN 84 HB2 ASN 84 2.976 0.269 -6.313 628 HB3 ASN 84 HB3 ASN 84 3.391 0.384 -8.017 629 HD21 ASN 84 HD21 ASN 84 3.978 2.138 -5.803 630 HD22 ASN 84 HD22 ASN 84 3.375 3.682 -6.255 631 H GLY 85 H GLY 85 -0.840 1.019 -8.333 632 HA2 GLY 85 HA2 GLY 85 -1.529 1.957 -10.387 633 HA3 GLY 85 HA3 GLY 85 -0.187 1.160 -11.184 634 H LEU 86 H LEU 86 -2.132 -0.591 -8.924 635 HA LEU 86 HA LEU 86 -2.999 -2.423 -10.985 636 HB2 LEU 86 HB2 LEU 86 -2.362 -2.737 -8.362 637 HB3 LEU 86 HB3 LEU 86 -4.103 -2.614 -8.240 638 HG LEU 86 HG LEU 86 -3.499 -4.923 -8.298 639 HD11 LEU 86 HD11 LEU 86 -5.540 -4.386 -9.474 640 HD12 LEU 86 HD12 LEU 86 -4.710 -5.730 -10.257 641 HD13 LEU 86 HD13 LEU 86 -4.637 -4.115 -10.963 642 HD21 LEU 86 HD21 LEU 86 -1.979 -4.253 -10.803 643 HD22 LEU 86 HD22 LEU 86 -2.317 -5.893 -10.251 644 HD23 LEU 86 HD23 LEU 86 -1.329 -4.818 -9.263 645 H ARG 87 H ARG 87 -4.979 -2.446 -11.928 646 HA ARG 87 HA ARG 87 -6.900 -0.422 -11.242 647 HB2 ARG 87 HB2 ARG 87 -6.913 -2.687 -13.233 648 HB3 ARG 87 HB3 ARG 87 -8.307 -1.644 -12.984 649 HG2 ARG 87 HG2 ARG 87 -5.581 -0.643 -13.757 650 HG3 ARG 87 HG3 ARG 87 -6.865 -1.009 -14.911 651 HD2 ARG 87 HD2 ARG 87 -8.312 0.632 -13.735 652 HD3 ARG 87 HD3 ARG 87 -6.944 1.045 -12.704 653 HE ARG 87 HE ARG 87 -5.936 1.438 -15.161 654 HH11 ARG 87 HH11 ARG 87 -8.915 2.505 -13.654 655 HH12 ARG 87 HH12 ARG 87 -9.002 3.970 -14.577 656 HH21 ARG 87 HH21 ARG 87 -6.055 3.362 -16.380 657 HH22 ARG 87 HH22 ARG 87 -7.377 4.457 -16.131 658 H LEU 88 H LEU 88 -7.426 -0.900 -9.116 659 HA LEU 88 HA LEU 88 -8.703 -3.439 -8.503 660 HB2 LEU 88 HB2 LEU 88 -7.462 -1.276 -7.006 661 HB3 LEU 88 HB3 LEU 88 -8.995 -1.779 -6.316 662 HG LEU 88 HG LEU 88 -6.685 -3.634 -6.895 663 HD11 LEU 88 HD11 LEU 88 -7.673 -2.728 -4.211 664 HD12 LEU 88 HD12 LEU 88 -6.378 -1.894 -5.063 665 HD13 LEU 88 HD13 LEU 88 -6.180 -3.587 -4.601 666 HD21 LEU 88 HD21 LEU 88 -8.835 -4.744 -7.002 667 HD22 LEU 88 HD22 LEU 88 -9.310 -4.022 -5.464 668 HD23 LEU 88 HD23 LEU 88 -7.998 -5.203 -5.519 669 H GLN 89 H GLN 89 -10.761 -3.625 -9.090 670 HA GLN 89 HA GLN 89 -12.939 -3.141 -9.512 671 HB2 GLN 89 HB2 GLN 89 -12.491 -1.186 -7.288 672 HB3 GLN 89 HB3 GLN 89 -14.070 -1.651 -7.899 673 HG2 GLN 89 HG2 GLN 89 -13.523 -4.007 -7.272 674 HG3 GLN 89 HG3 GLN 89 -12.064 -3.396 -6.495 675 HE21 GLN 89 HE21 GLN 89 -13.360 -0.958 -5.609 676 HE22 GLN 89 HE22 GLN 89 -14.385 -1.398 -4.291 677 H SER 90 H SER 90 -10.891 -1.759 -10.938 678 HA SER 90 HA SER 90 -10.932 -0.466 -12.820 679 HB2 SER 90 HB2 SER 90 -13.521 -0.480 -12.448 680 HB3 SER 90 HB3 SER 90 -13.255 1.167 -11.895 681 HG SER 90 HG SER 90 -12.276 0.207 -14.372 682 H LYS 91 H LYS 91 -10.786 0.510 -9.663 683 HA LYS 91 HA LYS 91 -9.841 3.227 -10.202 684 HB2 LYS 91 HB2 LYS 91 -11.065 1.936 -8.017 685 HB3 LYS 91 HB3 LYS 91 -9.429 2.292 -7.499 686 HG2 LYS 91 HG2 LYS 91 -11.323 4.326 -8.611 687 HG3 LYS 91 HG3 LYS 91 -11.040 4.034 -6.900 688 HD2 LYS 91 HD2 LYS 91 -8.506 4.304 -7.863 689 HD3 LYS 91 HD3 LYS 91 -9.408 5.464 -8.843 690 HE2 LYS 91 HE2 LYS 91 -10.441 6.096 -6.518 691 HE3 LYS 91 HE3 LYS 91 -8.948 5.398 -5.906 692 HZ1 LYS 91 HZ1 LYS 91 -8.695 7.764 -6.234 693 HZ2 LYS 91 HZ2 LYS 91 -9.154 7.633 -7.855 694 HZ3 LYS 91 HZ3 LYS 91 -7.710 6.933 -7.328 695 H THR 92 H THR 92 -7.651 3.813 -10.117 696 HA THR 92 HA THR 92 -5.813 1.539 -9.997 697 HB THR 92 HB THR 92 -4.696 4.161 -10.694 698 HG1 THR 92 HG1 THR 92 -6.934 3.828 -11.753 699 HG21 THR 92 HG21 THR 92 -3.366 2.132 -10.830 700 HG22 THR 92 HG22 THR 92 -3.591 2.815 -12.438 701 HG23 THR 92 HG23 THR 92 -4.539 1.416 -11.935 702 H ILE 93 H ILE 93 -4.667 1.179 -8.281 703 HA ILE 93 HA ILE 93 -4.639 3.123 -6.122 704 HB ILE 93 HB ILE 93 -3.946 1.291 -4.727 705 HG12 ILE 93 HG12 ILE 93 -3.746 -0.263 -7.317 706 HG13 ILE 93 HG13 ILE 93 -2.396 0.230 -6.303 707 HG21 ILE 93 HG21 ILE 93 -5.904 -0.058 -4.895 708 HG22 ILE 93 HG22 ILE 93 -6.051 0.272 -6.621 709 HG23 ILE 93 HG23 ILE 93 -6.341 1.561 -5.451 710 HD11 ILE 93 HD11 ILE 93 -2.829 -2.070 -5.946 711 HD12 ILE 93 HD12 ILE 93 -4.538 -1.751 -5.648 712 HD13 ILE 93 HD13 ILE 93 -3.324 -1.186 -4.501 713 H LYS 94 H LYS 94 -2.610 3.277 -4.790 714 HA LYS 94 HA LYS 94 -0.168 2.826 -6.337 715 HB2 LYS 94 HB2 LYS 94 -0.872 5.175 -6.731 716 HB3 LYS 94 HB3 LYS 94 -0.783 5.465 -5.001 717 HG2 LYS 94 HG2 LYS 94 1.568 5.065 -4.982 718 HG3 LYS 94 HG3 LYS 94 1.539 4.562 -6.677 719 HD2 LYS 94 HD2 LYS 94 0.890 7.326 -5.641 720 HD3 LYS 94 HD3 LYS 94 2.365 6.853 -6.486 721 HE2 LYS 94 HE2 LYS 94 0.994 6.247 -8.457 722 HE3 LYS 94 HE3 LYS 94 -0.438 6.823 -7.609 723 HZ1 LYS 94 HZ1 LYS 94 0.598 9.030 -7.504 724 HZ2 LYS 94 HZ2 LYS 94 0.364 8.510 -9.093 725 HZ3 LYS 94 HZ3 LYS 94 1.906 8.458 -8.410 726 H VAL 95 H VAL 95 1.015 1.574 -5.106 727 HA VAL 95 HA VAL 95 0.694 1.710 -2.214 728 HB VAL 95 HB VAL 95 0.824 -0.496 -2.135 729 HG11 VAL 95 HG11 VAL 95 0.325 -1.742 -4.184 730 HG12 VAL 95 HG12 VAL 95 0.741 -0.312 -5.133 731 HG13 VAL 95 HG13 VAL 95 -0.640 -0.265 -4.040 732 HG21 VAL 95 HG21 VAL 95 3.120 -0.703 -2.206 733 HG22 VAL 95 HG22 VAL 95 3.203 -0.191 -3.885 734 HG23 VAL 95 HG23 VAL 95 2.567 -1.787 -3.487 735 H SER 96 H SER 96 2.416 1.931 -0.835 736 HA SER 96 HA SER 96 5.088 2.403 -1.850 737 HB2 SER 96 HB2 SER 96 3.753 4.585 -2.114 738 HB3 SER 96 HB3 SER 96 3.651 4.606 -0.356 739 HG SER 96 HG SER 96 5.452 5.711 -0.618 740 H TYR 97 H TYR 97 6.351 3.338 0.199 741 HA TYR 97 HA TYR 97 5.881 1.486 2.392 742 HB2 TYR 97 HB2 TYR 97 7.884 3.745 2.347 743 HB3 TYR 97 HB3 TYR 97 7.935 2.270 3.301 744 HD1 TYR 97 HD1 TYR 97 9.335 3.888 0.602 745 HD2 TYR 97 HD2 TYR 97 7.903 0.048 1.743 746 HE1 TYR 97 HE1 TYR 97 10.778 2.866 -1.097 747 HE2 TYR 97 HE2 TYR 97 9.336 -1.000 0.045 748 HH TYR 97 HH TYR 97 11.867 0.592 -1.451 749 H ALA 98 H ALA 98 4.463 1.940 3.933 750 HA ALA 98 HA ALA 98 3.413 4.579 4.274 751 HB1 ALA 98 HB1 ALA 98 2.037 3.661 6.002 752 HB2 ALA 98 HB2 ALA 98 3.076 2.243 6.152 753 HB3 ALA 98 HB3 ALA 98 2.110 2.478 4.694 754 H ARG 99 H ARG 99 4.612 6.109 5.092 755 HA ARG 99 HA ARG 99 7.041 5.975 6.258 756 HB2 ARG 99 HB2 ARG 99 4.876 8.028 6.642 757 HB3 ARG 99 HB3 ARG 99 6.516 8.248 7.238 758 HG2 ARG 99 HG2 ARG 99 5.937 7.646 4.357 759 HG3 ARG 99 HG3 ARG 99 5.938 9.292 4.995 760 HD2 ARG 99 HD2 ARG 99 8.250 7.363 5.191 761 HD3 ARG 99 HD3 ARG 99 8.101 8.637 3.980 762 HE ARG 99 HE ARG 99 8.604 8.990 6.843 763 HH11 ARG 99 HH11 ARG 99 8.304 10.357 3.641 764 HH12 ARG 99 HH12 ARG 99 8.783 11.958 4.131 765 HH21 ARG 99 HH21 ARG 99 9.263 11.077 7.493 766 HH22 ARG 99 HH22 ARG 99 9.351 12.353 6.322 767 HA PRO 100 HA PRO 100 6.081 3.960 10.144 768 HB2 PRO 100 HB2 PRO 100 8.998 4.196 10.508 769 HB3 PRO 100 HB3 PRO 100 7.980 2.758 10.501 770 HG2 PRO 100 HG2 PRO 100 9.638 3.289 8.476 771 HG3 PRO 100 HG3 PRO 100 8.049 2.547 8.206 772 HD2 PRO 100 HD2 PRO 100 8.897 5.391 7.838 773 HD3 PRO 100 HD3 PRO 100 7.870 4.379 6.803 774 H SER 101 H SER 101 6.001 4.571 12.260 775 HA SER 101 HA SER 101 5.818 5.971 14.019 776 HB2 SER 101 HB2 SER 101 8.220 5.677 14.129 777 HB3 SER 101 HB3 SER 101 8.461 6.959 12.950 778 HG SER 101 HG SER 101 7.436 8.376 14.526 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 3.565 23.303 1.434 2 H2 GLY 1 H2 GLY 1 2.471 24.250 0.564 3 H3 GLY 1 H3 GLY 1 4.120 24.622 0.536 4 HA2 GLY 1 HA2 GLY 1 3.472 23.551 -1.518 5 HA3 GLY 1 HA3 GLY 1 4.610 22.567 -0.612 6 H HIS 2 H HIS 2 3.793 20.790 -1.882 7 HA HIS 2 HA HIS 2 1.303 19.696 -0.747 8 HB2 HIS 2 HB2 HIS 2 2.309 19.474 -3.593 9 HB3 HIS 2 HB3 HIS 2 1.030 18.462 -2.937 10 HD1 HIS 2 HD1 HIS 2 -1.281 19.535 -2.599 11 HD2 HIS 2 HD2 HIS 2 1.578 22.133 -4.134 12 HE1 HIS 2 HE1 HIS 2 -2.560 21.535 -3.426 13 HE2 HIS 2 HE2 HIS 2 -0.797 23.154 -4.216 14 H MET 3 H MET 3 1.561 17.790 0.239 15 HA MET 3 HA MET 3 4.162 16.510 0.120 16 HB2 MET 3 HB2 MET 3 3.107 16.852 2.305 17 HB3 MET 3 HB3 MET 3 1.732 15.881 1.805 18 HG2 MET 3 HG2 MET 3 3.298 14.674 3.269 19 HG3 MET 3 HG3 MET 3 3.083 13.907 1.697 20 HE1 MET 3 HE1 MET 3 6.819 16.393 2.815 21 HE2 MET 3 HE2 MET 3 5.444 16.161 3.894 22 HE3 MET 3 HE3 MET 3 5.261 17.126 2.430 23 H SER 4 H SER 4 3.977 15.805 -2.073 24 HA SER 4 HA SER 4 2.038 13.757 -2.699 25 HB2 SER 4 HB2 SER 4 3.420 13.644 -4.859 26 HB3 SER 4 HB3 SER 4 2.586 15.162 -4.528 27 HG SER 4 HG SER 4 5.333 14.556 -4.286 28 H ASN 5 H ASN 5 2.675 12.379 -0.918 29 HA ASN 5 HA ASN 5 5.102 10.808 -1.493 30 HB2 ASN 5 HB2 ASN 5 5.492 12.181 0.480 31 HB3 ASN 5 HB3 ASN 5 3.995 11.611 1.205 32 HD21 ASN 5 HD21 ASN 5 6.316 9.620 -0.551 33 HD22 ASN 5 HD22 ASN 5 6.803 8.692 0.828 34 H GLY 6 H GLY 6 4.621 8.787 -2.004 35 HA2 GLY 6 HA2 GLY 6 3.611 6.836 -0.548 36 HA3 GLY 6 HA3 GLY 6 2.115 7.616 -1.033 37 H TYR 7 H TYR 7 4.925 7.414 -3.121 38 HA TYR 7 HA TYR 7 3.755 5.216 -4.625 39 HB2 TYR 7 HB2 TYR 7 4.589 7.349 -6.417 40 HB3 TYR 7 HB3 TYR 7 3.133 6.357 -6.445 41 HD1 TYR 7 HD1 TYR 7 4.524 9.110 -4.282 42 HD2 TYR 7 HD2 TYR 7 1.185 7.536 -6.407 43 HE1 TYR 7 HE1 TYR 7 3.194 11.095 -3.677 44 HE2 TYR 7 HE2 TYR 7 -0.154 9.500 -5.782 45 HH TYR 7 HH TYR 7 -0.171 11.230 -4.026 46 H GLU 8 H GLU 8 5.609 6.139 -6.913 47 HA GLU 8 HA GLU 8 7.972 4.828 -5.885 48 HB2 GLU 8 HB2 GLU 8 7.417 5.944 -8.633 49 HB3 GLU 8 HB3 GLU 8 8.754 4.880 -8.194 50 HG2 GLU 8 HG2 GLU 8 7.353 3.077 -7.796 51 HG3 GLU 8 HG3 GLU 8 5.928 4.118 -7.681 52 H ASP 9 H ASP 9 7.261 7.257 -4.808 53 HA ASP 9 HA ASP 9 9.368 9.115 -5.602 54 HB2 ASP 9 HB2 ASP 9 8.421 10.651 -3.984 55 HB3 ASP 9 HB3 ASP 9 7.119 9.987 -4.964 56 H HIS 10 H HIS 10 9.387 6.353 -4.079 57 HA HIS 10 HA HIS 10 11.389 7.176 -2.070 58 HB2 HIS 10 HB2 HIS 10 10.414 4.405 -1.909 59 HB3 HIS 10 HB3 HIS 10 10.693 5.552 -0.625 60 HD1 HIS 10 HD1 HIS 10 8.506 7.672 -1.376 61 HD2 HIS 10 HD2 HIS 10 7.987 3.544 -1.373 62 HE1 HIS 10 HE1 HIS 10 6.022 7.311 -1.178 63 HE2 HIS 10 HE2 HIS 10 5.775 4.811 -0.861 64 H MET 11 H MET 11 12.593 4.687 -1.734 65 HA MET 11 HA MET 11 13.953 3.077 -2.591 66 HB2 MET 11 HB2 MET 11 12.879 3.863 -5.296 67 HB3 MET 11 HB3 MET 11 13.831 2.435 -4.939 68 HG2 MET 11 HG2 MET 11 12.052 1.459 -3.715 69 HG3 MET 11 HG3 MET 11 11.127 2.962 -3.746 70 HE1 MET 11 HE1 MET 11 10.293 3.240 -7.601 71 HE2 MET 11 HE2 MET 11 11.822 3.795 -6.909 72 HE3 MET 11 HE3 MET 11 10.306 4.080 -6.049 73 H ALA 12 H ALA 12 13.768 5.699 -4.942 74 HA ALA 12 HA ALA 12 16.564 5.646 -5.483 75 HB1 ALA 12 HB1 ALA 12 14.612 7.804 -6.226 76 HB2 ALA 12 HB2 ALA 12 14.693 6.257 -7.065 77 HB3 ALA 12 HB3 ALA 12 16.092 7.337 -7.066 78 H GLU 13 H GLU 13 14.409 7.809 -3.670 79 HA GLU 13 HA GLU 13 16.499 8.714 -1.966 80 HB2 GLU 13 HB2 GLU 13 16.462 11.096 -2.683 81 HB3 GLU 13 HB3 GLU 13 17.159 10.024 -3.891 82 HG2 GLU 13 HG2 GLU 13 15.088 10.062 -5.154 83 HG3 GLU 13 HG3 GLU 13 14.338 11.079 -3.925 84 H ASP 14 H ASP 14 15.637 10.957 -0.948 85 HA ASP 14 HA ASP 14 14.070 12.236 0.057 86 HB2 ASP 14 HB2 ASP 14 12.756 12.022 -2.054 87 HB3 ASP 14 HB3 ASP 14 11.956 10.613 -1.359 88 H CYS 15 H CYS 15 12.394 9.089 -0.108 89 HA CYS 15 HA CYS 15 11.818 9.416 2.739 90 HB2 CYS 15 HB2 CYS 15 10.632 7.536 0.703 91 HB3 CYS 15 HB3 CYS 15 10.145 7.651 2.395 92 HG CYS 15 HG CYS 15 10.032 10.547 0.710 93 H ARG 16 H ARG 16 11.672 7.439 4.034 94 HA ARG 16 HA ARG 16 14.097 5.876 3.786 95 HB2 ARG 16 HB2 ARG 16 11.975 5.788 5.944 96 HB3 ARG 16 HB3 ARG 16 13.566 5.047 6.015 97 HG2 ARG 16 HG2 ARG 16 13.814 6.939 7.298 98 HG3 ARG 16 HG3 ARG 16 14.457 7.440 5.737 99 HD2 ARG 16 HD2 ARG 16 13.051 9.199 6.580 100 HD3 ARG 16 HD3 ARG 16 12.229 8.436 5.213 101 HE ARG 16 HE ARG 16 11.420 7.210 7.630 102 HH11 ARG 16 HH11 ARG 16 11.033 10.217 5.857 103 HH12 ARG 16 HH12 ARG 16 9.470 10.551 6.537 104 HH21 ARG 16 HH21 ARG 16 9.364 7.651 8.502 105 HH22 ARG 16 HH22 ARG 16 8.527 9.101 8.035 106 H GLY 17 H GLY 17 13.270 4.843 1.807 107 HA2 GLY 17 HA2 GLY 17 11.204 2.826 2.407 108 HA3 GLY 17 HA3 GLY 17 11.455 3.535 0.815 109 H ASP 18 H ASP 18 14.130 2.574 2.848 110 HA ASP 18 HA ASP 18 14.447 0.055 1.444 111 HB2 ASP 18 HB2 ASP 18 16.713 0.605 0.636 112 HB3 ASP 18 HB3 ASP 18 15.483 1.617 -0.107 113 H ILE 19 H ILE 19 14.093 1.049 4.212 114 HA ILE 19 HA ILE 19 16.597 0.226 5.469 115 HB ILE 19 HB ILE 19 14.650 0.828 7.424 116 HG12 ILE 19 HG12 ILE 19 14.807 3.396 6.371 117 HG13 ILE 19 HG13 ILE 19 14.348 2.391 5.010 118 HG21 ILE 19 HG21 ILE 19 17.069 2.348 6.492 119 HG22 ILE 19 HG22 ILE 19 17.049 1.049 7.682 120 HG23 ILE 19 HG23 ILE 19 16.241 2.577 8.030 121 HD11 ILE 19 HD11 ILE 19 12.425 3.336 6.249 122 HD12 ILE 19 HD12 ILE 19 12.913 2.379 7.649 123 HD13 ILE 19 HD13 ILE 19 12.423 1.576 6.153 124 H GLY 20 H GLY 20 13.239 -0.159 6.386 125 HA2 GLY 20 HA2 GLY 20 13.330 -3.051 6.132 126 HA3 GLY 20 HA3 GLY 20 13.134 -2.432 7.773 127 H ARG 21 H ARG 21 11.925 -1.292 4.687 128 HA ARG 21 HA ARG 21 9.447 -0.544 5.867 129 HB2 ARG 21 HB2 ARG 21 8.977 -0.145 3.257 130 HB3 ARG 21 HB3 ARG 21 9.834 0.991 4.283 131 HG2 ARG 21 HG2 ARG 21 11.030 0.735 2.235 132 HG3 ARG 21 HG3 ARG 21 11.964 0.005 3.536 133 HD2 ARG 21 HD2 ARG 21 11.442 -2.180 2.817 134 HD3 ARG 21 HD3 ARG 21 10.137 -1.612 1.779 135 HE ARG 21 HE ARG 21 12.466 -0.455 0.815 136 HH11 ARG 21 HH11 ARG 21 11.207 -3.687 1.277 137 HH12 ARG 21 HH12 ARG 21 12.052 -4.354 -0.078 138 HH21 ARG 21 HH21 ARG 21 13.541 -1.324 -1.019 139 HH22 ARG 21 HH22 ARG 21 13.345 -3.004 -1.417 140 H THR 22 H THR 22 8.176 -2.188 6.484 141 HA THR 22 HA THR 22 7.407 -4.169 4.463 142 HB THR 22 HB THR 22 6.309 -5.342 6.376 143 HG1 THR 22 HG1 THR 22 7.176 -4.470 8.504 144 HG21 THR 22 HG21 THR 22 9.225 -4.669 6.767 145 HG22 THR 22 HG22 THR 22 8.582 -5.941 5.729 146 HG23 THR 22 HG23 THR 22 8.391 -6.051 7.479 147 H ASN 23 H ASN 23 6.359 -1.333 6.039 148 HA ASN 23 HA ASN 23 3.530 -1.717 5.704 149 HB2 ASN 23 HB2 ASN 23 4.813 -0.069 7.299 150 HB3 ASN 23 HB3 ASN 23 4.850 0.975 5.874 151 HD21 ASN 23 HD21 ASN 23 2.205 -1.212 6.578 152 HD22 ASN 23 HD22 ASN 23 1.041 0.011 6.941 153 H LEU 24 H LEU 24 2.368 -1.325 3.888 154 HA LEU 24 HA LEU 24 3.785 -0.034 1.655 155 HB2 LEU 24 HB2 LEU 24 3.114 -2.668 1.813 156 HB3 LEU 24 HB3 LEU 24 1.694 -2.010 1.030 157 HG LEU 24 HG LEU 24 3.104 -1.114 -0.773 158 HD11 LEU 24 HD11 LEU 24 5.175 -0.713 0.305 159 HD12 LEU 24 HD12 LEU 24 5.464 -1.984 -0.880 160 HD13 LEU 24 HD13 LEU 24 5.303 -2.389 0.828 161 HD21 LEU 24 HD21 LEU 24 3.725 -4.006 -0.320 162 HD22 LEU 24 HD22 LEU 24 3.474 -3.166 -1.850 163 HD23 LEU 24 HD23 LEU 24 2.119 -3.431 -0.753 164 H ILE 25 H ILE 25 2.886 1.867 1.378 165 HA ILE 25 HA ILE 25 0.093 2.354 1.848 166 HB ILE 25 HB ILE 25 1.831 4.093 2.264 167 HG12 ILE 25 HG12 ILE 25 -0.321 4.770 0.264 168 HG13 ILE 25 HG13 ILE 25 -0.478 4.699 2.020 169 HG21 ILE 25 HG21 ILE 25 2.015 4.276 -0.730 170 HG22 ILE 25 HG22 ILE 25 3.257 3.610 0.333 171 HG23 ILE 25 HG23 ILE 25 2.822 5.317 0.444 172 HD11 ILE 25 HD11 ILE 25 -0.331 6.991 1.204 173 HD12 ILE 25 HD12 ILE 25 1.251 6.637 0.507 174 HD13 ILE 25 HD13 ILE 25 1.024 6.579 2.254 175 H VAL 26 H VAL 26 -1.442 2.009 0.416 176 HA VAL 26 HA VAL 26 -0.644 1.644 -2.398 177 HB VAL 26 HB VAL 26 -3.021 0.344 -1.079 178 HG11 VAL 26 HG11 VAL 26 -2.860 -1.137 -3.061 179 HG12 VAL 26 HG12 VAL 26 -1.566 -0.110 -3.681 180 HG13 VAL 26 HG13 VAL 26 -3.188 0.545 -3.479 181 HG21 VAL 26 HG21 VAL 26 -1.001 -0.433 0.016 182 HG22 VAL 26 HG22 VAL 26 -0.266 -0.766 -1.551 183 HG23 VAL 26 HG23 VAL 26 -1.665 -1.697 -1.020 184 H ASN 27 H ASN 27 -1.214 3.365 -3.453 185 HA ASN 27 HA ASN 27 -3.605 4.849 -2.696 186 HB2 ASN 27 HB2 ASN 27 -1.103 5.513 -4.024 187 HB3 ASN 27 HB3 ASN 27 -2.497 6.089 -4.930 188 HD21 ASN 27 HD21 ASN 27 -0.606 6.422 -2.094 189 HD22 ASN 27 HD22 ASN 27 -1.389 7.834 -1.477 190 H TYR 28 H TYR 28 -4.744 5.767 -4.708 191 HA TYR 28 HA TYR 28 -6.164 5.382 -6.432 192 HB2 TYR 28 HB2 TYR 28 -3.941 3.559 -7.378 193 HB3 TYR 28 HB3 TYR 28 -5.271 4.152 -8.369 194 HD1 TYR 28 HD1 TYR 28 -2.140 5.047 -6.697 195 HD2 TYR 28 HD2 TYR 28 -5.282 6.432 -9.199 196 HE1 TYR 28 HE1 TYR 28 -0.776 7.002 -7.297 197 HE2 TYR 28 HE2 TYR 28 -3.935 8.395 -9.809 198 HH TYR 28 HH TYR 28 -0.605 8.629 -9.109 199 H LEU 29 H LEU 29 -6.413 3.725 -4.067 200 HA LEU 29 HA LEU 29 -7.255 1.094 -4.895 201 HB2 LEU 29 HB2 LEU 29 -7.870 2.711 -2.412 202 HB3 LEU 29 HB3 LEU 29 -8.388 1.056 -2.661 203 HG LEU 29 HG LEU 29 -5.602 2.092 -2.232 204 HD11 LEU 29 HD11 LEU 29 -5.591 0.518 -0.408 205 HD12 LEU 29 HD12 LEU 29 -7.178 -0.094 -0.875 206 HD13 LEU 29 HD13 LEU 29 -7.010 1.558 -0.273 207 HD21 LEU 29 HD21 LEU 29 -5.374 0.598 -4.071 208 HD22 LEU 29 HD22 LEU 29 -6.450 -0.580 -3.320 209 HD23 LEU 29 HD23 LEU 29 -4.865 -0.260 -2.618 210 HA PRO 30 HA PRO 30 -11.264 2.084 -6.503 211 HB2 PRO 30 HB2 PRO 30 -12.335 -0.198 -4.995 212 HB3 PRO 30 HB3 PRO 30 -12.319 0.082 -6.730 213 HG2 PRO 30 HG2 PRO 30 -10.724 -1.726 -5.425 214 HG3 PRO 30 HG3 PRO 30 -10.366 -1.031 -7.008 215 HD2 PRO 30 HD2 PRO 30 -9.106 -0.520 -4.412 216 HD3 PRO 30 HD3 PRO 30 -8.500 -0.183 -6.043 217 H GLN 31 H GLN 31 -12.920 3.339 -5.707 218 HA GLN 31 HA GLN 31 -12.623 4.282 -3.050 219 HB2 GLN 31 HB2 GLN 31 -14.855 4.887 -4.978 220 HB3 GLN 31 HB3 GLN 31 -14.375 5.849 -3.587 221 HG2 GLN 31 HG2 GLN 31 -12.700 5.314 -6.021 222 HG3 GLN 31 HG3 GLN 31 -13.576 6.802 -5.690 223 HE21 GLN 31 HE21 GLN 31 -12.866 6.775 -2.832 224 HE22 GLN 31 HE22 GLN 31 -11.198 7.212 -2.762 225 H ASN 32 H ASN 32 -14.201 1.605 -4.191 226 HA ASN 32 HA ASN 32 -16.106 1.597 -1.952 227 HB2 ASN 32 HB2 ASN 32 -17.531 0.142 -3.287 228 HB3 ASN 32 HB3 ASN 32 -17.216 1.639 -4.152 229 HD21 ASN 32 HD21 ASN 32 -18.034 -0.989 -5.138 230 HD22 ASN 32 HD22 ASN 32 -16.843 -1.445 -6.303 231 H MET 33 H MET 33 -13.184 0.465 -2.620 232 HA MET 33 HA MET 33 -13.591 -2.369 -2.244 233 HB2 MET 33 HB2 MET 33 -11.597 -0.881 -3.356 234 HB3 MET 33 HB3 MET 33 -10.902 -1.279 -1.791 235 HG2 MET 33 HG2 MET 33 -11.303 -3.643 -2.221 236 HG3 MET 33 HG3 MET 33 -11.995 -3.246 -3.781 237 HE1 MET 33 HE1 MET 33 -7.615 -2.145 -2.884 238 HE2 MET 33 HE2 MET 33 -8.651 -2.835 -1.627 239 HE3 MET 33 HE3 MET 33 -9.031 -1.253 -2.317 240 H THR 34 H THR 34 -12.332 -3.519 -0.460 241 HA THR 34 HA THR 34 -12.811 -2.098 2.079 242 HB THR 34 HB THR 34 -13.508 -4.139 3.088 243 HG1 THR 34 HG1 THR 34 -13.372 -6.131 1.930 244 HG21 THR 34 HG21 THR 34 -15.395 -4.833 1.732 245 HG22 THR 34 HG22 THR 34 -14.648 -4.135 0.291 246 HG23 THR 34 HG23 THR 34 -15.189 -3.085 1.606 247 H GLN 35 H GLN 35 -11.467 -2.945 3.956 248 HA GLN 35 HA GLN 35 -8.743 -3.143 3.517 249 HB2 GLN 35 HB2 GLN 35 -10.275 -4.548 5.711 250 HB3 GLN 35 HB3 GLN 35 -8.539 -4.305 5.677 251 HG2 GLN 35 HG2 GLN 35 -9.381 -2.713 7.153 252 HG3 GLN 35 HG3 GLN 35 -9.008 -1.838 5.675 253 HE21 GLN 35 HE21 GLN 35 -11.821 -3.888 6.035 254 HE22 GLN 35 HE22 GLN 35 -12.993 -2.614 6.017 255 H ASP 36 H ASP 36 -11.151 -5.691 3.760 256 HA ASP 36 HA ASP 36 -9.423 -7.894 3.717 257 HB2 ASP 36 HB2 ASP 36 -11.825 -7.930 4.362 258 HB3 ASP 36 HB3 ASP 36 -12.260 -7.726 2.669 259 H GLU 37 H GLU 37 -10.831 -6.027 1.078 260 HA GLU 37 HA GLU 37 -9.925 -7.805 -0.982 261 HB2 GLU 37 HB2 GLU 37 -10.727 -4.901 -1.118 262 HB3 GLU 37 HB3 GLU 37 -10.537 -5.970 -2.498 263 HG2 GLU 37 HG2 GLU 37 -12.541 -6.366 -0.288 264 HG3 GLU 37 HG3 GLU 37 -12.899 -5.600 -1.835 265 H LEU 38 H LEU 38 -8.858 -4.690 0.302 266 HA LEU 38 HA LEU 38 -6.517 -4.386 -1.219 267 HB2 LEU 38 HB2 LEU 38 -7.654 -2.611 0.090 268 HB3 LEU 38 HB3 LEU 38 -7.205 -3.414 1.574 269 HG LEU 38 HG LEU 38 -5.885 -1.321 0.671 270 HD11 LEU 38 HD11 LEU 38 -4.017 -1.964 1.978 271 HD12 LEU 38 HD12 LEU 38 -4.408 -3.674 1.801 272 HD13 LEU 38 HD13 LEU 38 -5.468 -2.620 2.741 273 HD21 LEU 38 HD21 LEU 38 -4.512 -3.618 -0.699 274 HD22 LEU 38 HD22 LEU 38 -3.873 -1.978 -0.552 275 HD23 LEU 38 HD23 LEU 38 -5.339 -2.277 -1.488 276 H ARG 39 H ARG 39 -7.283 -6.227 1.593 277 HA ARG 39 HA ARG 39 -4.585 -6.837 2.348 278 HB2 ARG 39 HB2 ARG 39 -6.692 -6.660 3.827 279 HB3 ARG 39 HB3 ARG 39 -7.081 -8.264 3.253 280 HG2 ARG 39 HG2 ARG 39 -4.491 -7.632 4.615 281 HG3 ARG 39 HG3 ARG 39 -5.942 -8.084 5.499 282 HD2 ARG 39 HD2 ARG 39 -6.060 -10.163 4.229 283 HD3 ARG 39 HD3 ARG 39 -4.578 -9.717 3.380 284 HE ARG 39 HE ARG 39 -3.988 -9.627 6.087 285 HH11 ARG 39 HH11 ARG 39 -5.080 -12.039 3.806 286 HH12 ARG 39 HH12 ARG 39 -4.251 -13.345 4.590 287 HH21 ARG 39 HH21 ARG 39 -2.882 -11.336 7.121 288 HH22 ARG 39 HH22 ARG 39 -2.992 -12.944 6.471 289 H SER 40 H SER 40 -7.224 -8.537 0.652 290 HA SER 40 HA SER 40 -5.859 -11.035 0.567 291 HB2 SER 40 HB2 SER 40 -7.652 -11.612 -1.139 292 HB3 SER 40 HB3 SER 40 -8.227 -11.110 0.450 293 HG SER 40 HG SER 40 -9.010 -9.317 -0.371 294 H LEU 41 H LEU 41 -6.216 -8.387 -1.745 295 HA LEU 41 HA LEU 41 -4.930 -9.613 -3.929 296 HB2 LEU 41 HB2 LEU 41 -6.339 -7.499 -3.828 297 HB3 LEU 41 HB3 LEU 41 -4.913 -6.697 -3.223 298 HG LEU 41 HG LEU 41 -5.642 -6.737 -5.799 299 HD11 LEU 41 HD11 LEU 41 -3.962 -5.296 -4.847 300 HD12 LEU 41 HD12 LEU 41 -3.346 -6.049 -6.316 301 HD13 LEU 41 HD13 LEU 41 -2.836 -6.647 -4.739 302 HD21 LEU 41 HD21 LEU 41 -4.154 -8.240 -7.035 303 HD22 LEU 41 HD22 LEU 41 -5.309 -9.140 -6.052 304 HD23 LEU 41 HD23 LEU 41 -3.634 -8.975 -5.516 305 H PHE 42 H PHE 42 -3.660 -7.837 -1.177 306 HA PHE 42 HA PHE 42 -0.975 -8.126 -2.162 307 HB2 PHE 42 HB2 PHE 42 -2.139 -6.999 0.371 308 HB3 PHE 42 HB3 PHE 42 -0.397 -7.195 0.151 309 HD1 PHE 42 HD1 PHE 42 0.802 -5.455 -0.812 310 HD2 PHE 42 HD2 PHE 42 -3.373 -5.814 -1.624 311 HE1 PHE 42 HE1 PHE 42 0.868 -3.383 -2.160 312 HE2 PHE 42 HE2 PHE 42 -3.289 -3.758 -2.955 313 HZ PHE 42 HZ PHE 42 -1.168 -2.562 -3.221 314 H SER 43 H SER 43 -3.138 -9.869 -0.088 315 HA SER 43 HA SER 43 -1.211 -11.622 1.017 316 HB2 SER 43 HB2 SER 43 -3.554 -11.398 1.862 317 HB3 SER 43 HB3 SER 43 -4.118 -12.225 0.410 318 HG SER 43 HG SER 43 -2.217 -13.730 1.403 319 H SER 44 H SER 44 -2.382 -11.180 -2.135 320 HA SER 44 HA SER 44 -1.987 -13.822 -3.122 321 HB2 SER 44 HB2 SER 44 -2.456 -12.959 -5.233 322 HB3 SER 44 HB3 SER 44 -3.290 -11.793 -4.198 323 HG SER 44 HG SER 44 -1.880 -10.295 -4.710 324 H ILE 45 H ILE 45 -0.043 -10.893 -2.929 325 HA ILE 45 HA ILE 45 2.336 -11.889 -4.053 326 HB ILE 45 HB ILE 45 1.848 -9.759 -1.970 327 HG12 ILE 45 HG12 ILE 45 1.137 -9.551 -4.451 328 HG13 ILE 45 HG13 ILE 45 2.044 -8.223 -3.729 329 HG21 ILE 45 HG21 ILE 45 4.167 -9.031 -2.272 330 HG22 ILE 45 HG22 ILE 45 4.464 -10.407 -3.335 331 HG23 ILE 45 HG23 ILE 45 4.098 -10.677 -1.632 332 HD11 ILE 45 HD11 ILE 45 3.231 -10.412 -5.403 333 HD12 ILE 45 HD12 ILE 45 4.063 -8.991 -4.763 334 HD13 ILE 45 HD13 ILE 45 2.795 -8.803 -5.974 335 H GLY 46 H GLY 46 1.107 -11.953 -0.734 336 HA2 GLY 46 HA2 GLY 46 2.296 -14.341 -0.003 337 HA3 GLY 46 HA3 GLY 46 3.464 -13.086 0.384 338 H GLU 47 H GLU 47 3.341 -13.365 2.585 339 HA GLU 47 HA GLU 47 0.802 -13.315 3.918 340 HB2 GLU 47 HB2 GLU 47 3.536 -13.987 4.590 341 HB3 GLU 47 HB3 GLU 47 2.788 -12.999 5.838 342 HG2 GLU 47 HG2 GLU 47 1.002 -14.551 6.084 343 HG3 GLU 47 HG3 GLU 47 1.578 -15.498 4.709 344 H VAL 48 H VAL 48 -0.264 -11.592 4.266 345 HA VAL 48 HA VAL 48 1.062 -9.029 4.661 346 HB VAL 48 HB VAL 48 -1.875 -9.711 4.433 347 HG11 VAL 48 HG11 VAL 48 -2.079 -7.212 4.078 348 HG12 VAL 48 HG12 VAL 48 -0.442 -7.085 4.732 349 HG13 VAL 48 HG13 VAL 48 -1.741 -7.741 5.726 350 HG21 VAL 48 HG21 VAL 48 -0.028 -8.403 2.452 351 HG22 VAL 48 HG22 VAL 48 -1.735 -8.785 2.212 352 HG23 VAL 48 HG23 VAL 48 -0.553 -10.087 2.398 353 H GLU 49 H GLU 49 1.361 -8.148 6.493 354 HA GLU 49 HA GLU 49 0.880 -9.656 8.853 355 HB2 GLU 49 HB2 GLU 49 2.973 -8.484 8.435 356 HB3 GLU 49 HB3 GLU 49 2.115 -6.945 8.466 357 HG2 GLU 49 HG2 GLU 49 1.587 -7.211 10.755 358 HG3 GLU 49 HG3 GLU 49 2.135 -8.879 10.750 359 H SER 50 H SER 50 -0.200 -6.580 7.486 360 HA SER 50 HA SER 50 -2.805 -6.876 8.560 361 HB2 SER 50 HB2 SER 50 -2.780 -4.807 10.004 362 HB3 SER 50 HB3 SER 50 -1.875 -6.167 10.666 363 HG SER 50 HG SER 50 -0.033 -5.129 10.349 364 H ALA 51 H ALA 51 -4.185 -5.809 7.207 365 HA ALA 51 HA ALA 51 -2.945 -3.780 5.486 366 HB1 ALA 51 HB1 ALA 51 -5.333 -5.449 4.752 367 HB2 ALA 51 HB2 ALA 51 -3.668 -5.847 4.329 368 HB3 ALA 51 HB3 ALA 51 -4.400 -4.369 3.706 369 H LYS 52 H LYS 52 -3.623 -1.846 5.479 370 HA LYS 52 HA LYS 52 -5.908 -1.074 7.150 371 HB2 LYS 52 HB2 LYS 52 -3.622 -0.295 7.726 372 HB3 LYS 52 HB3 LYS 52 -3.489 0.416 6.136 373 HG2 LYS 52 HG2 LYS 52 -4.977 2.104 6.615 374 HG3 LYS 52 HG3 LYS 52 -5.566 1.307 8.081 375 HD2 LYS 52 HD2 LYS 52 -3.232 1.519 8.987 376 HD3 LYS 52 HD3 LYS 52 -2.854 2.512 7.582 377 HE2 LYS 52 HE2 LYS 52 -4.585 4.105 8.234 378 HE3 LYS 52 HE3 LYS 52 -4.973 3.108 9.636 379 HZ1 LYS 52 HZ1 LYS 52 -2.371 4.449 9.125 380 HZ2 LYS 52 HZ2 LYS 52 -2.728 3.480 10.465 381 HZ3 LYS 52 HZ3 LYS 52 -3.541 4.944 10.243 382 H LEU 53 H LEU 53 -7.732 -0.567 5.958 383 HA LEU 53 HA LEU 53 -7.339 0.809 3.398 384 HB2 LEU 53 HB2 LEU 53 -8.804 -1.119 3.263 385 HB3 LEU 53 HB3 LEU 53 -9.773 -0.520 4.595 386 HG LEU 53 HG LEU 53 -9.976 1.555 2.901 387 HD11 LEU 53 HD11 LEU 53 -9.812 -0.913 1.174 388 HD12 LEU 53 HD12 LEU 53 -8.711 0.469 1.133 389 HD13 LEU 53 HD13 LEU 53 -10.400 0.669 0.655 390 HD21 LEU 53 HD21 LEU 53 -11.829 0.518 4.003 391 HD22 LEU 53 HD22 LEU 53 -11.656 -0.938 3.027 392 HD23 LEU 53 HD23 LEU 53 -12.173 0.570 2.274 393 H ILE 54 H ILE 54 -7.896 2.908 3.213 394 HA ILE 54 HA ILE 54 -8.673 4.248 5.695 395 HB ILE 54 HB ILE 54 -7.725 5.476 3.119 396 HG12 ILE 54 HG12 ILE 54 -5.933 4.108 3.879 397 HG13 ILE 54 HG13 ILE 54 -5.537 5.748 4.361 398 HG21 ILE 54 HG21 ILE 54 -8.972 6.979 4.609 399 HG22 ILE 54 HG22 ILE 54 -7.279 7.455 4.464 400 HG23 ILE 54 HG23 ILE 54 -7.840 6.616 5.912 401 HD11 ILE 54 HD11 ILE 54 -6.706 3.639 6.158 402 HD12 ILE 54 HD12 ILE 54 -6.216 5.265 6.635 403 HD13 ILE 54 HD13 ILE 54 -5.006 4.099 6.088 404 H ARG 55 H ARG 55 -10.716 4.857 5.973 405 HA ARG 55 HA ARG 55 -12.256 5.617 3.591 406 HB2 ARG 55 HB2 ARG 55 -13.452 4.214 5.979 407 HB3 ARG 55 HB3 ARG 55 -14.248 4.623 4.467 408 HG2 ARG 55 HG2 ARG 55 -12.542 3.082 3.360 409 HG3 ARG 55 HG3 ARG 55 -12.216 2.497 4.990 410 HD2 ARG 55 HD2 ARG 55 -14.926 2.530 3.665 411 HD3 ARG 55 HD3 ARG 55 -13.872 1.119 3.790 412 HE ARG 55 HE ARG 55 -14.467 2.330 6.331 413 HH11 ARG 55 HH11 ARG 55 -15.593 0.068 3.908 414 HH12 ARG 55 HH12 ARG 55 -16.537 -0.861 5.031 415 HH21 ARG 55 HH21 ARG 55 -15.733 1.125 7.806 416 HH22 ARG 55 HH22 ARG 55 -16.624 -0.253 7.244 417 H ASP 56 H ASP 56 -14.133 6.971 4.112 418 HA ASP 56 HA ASP 56 -13.360 9.213 5.668 419 HB2 ASP 56 HB2 ASP 56 -14.799 9.315 3.628 420 HB3 ASP 56 HB3 ASP 56 -16.083 8.566 4.555 421 H LYS 57 H LYS 57 -14.084 9.942 7.554 422 HA LYS 57 HA LYS 57 -14.640 8.186 9.627 423 HB2 LYS 57 HB2 LYS 57 -15.520 10.595 10.595 424 HB3 LYS 57 HB3 LYS 57 -13.867 10.020 10.638 425 HG2 LYS 57 HG2 LYS 57 -13.996 12.303 9.818 426 HG3 LYS 57 HG3 LYS 57 -13.372 11.216 8.585 427 HD2 LYS 57 HD2 LYS 57 -15.534 11.187 7.465 428 HD3 LYS 57 HD3 LYS 57 -16.219 12.208 8.743 429 HE2 LYS 57 HE2 LYS 57 -14.753 14.029 8.141 430 HE3 LYS 57 HE3 LYS 57 -13.922 13.014 6.964 431 HZ1 LYS 57 HZ1 LYS 57 -15.514 14.475 5.899 432 HZ2 LYS 57 HZ2 LYS 57 -16.772 13.836 6.828 433 HZ3 LYS 57 HZ3 LYS 57 -15.972 12.857 5.699 434 H VAL 58 H VAL 58 -16.829 9.586 7.400 435 HA VAL 58 HA VAL 58 -19.071 9.101 9.238 436 HB VAL 58 HB VAL 58 -18.515 11.527 7.549 437 HG11 VAL 58 HG11 VAL 58 -20.739 12.356 8.266 438 HG12 VAL 58 HG12 VAL 58 -21.106 10.740 8.876 439 HG13 VAL 58 HG13 VAL 58 -20.818 10.991 7.149 440 HG21 VAL 58 HG21 VAL 58 -19.187 11.270 10.468 441 HG22 VAL 58 HG22 VAL 58 -18.626 12.709 9.615 442 HG23 VAL 58 HG23 VAL 58 -17.546 11.327 9.826 443 H ALA 59 H ALA 59 -18.208 9.839 5.898 444 HA ALA 59 HA ALA 59 -20.659 8.791 4.894 445 HB1 ALA 59 HB1 ALA 59 -18.171 9.504 3.373 446 HB2 ALA 59 HB2 ALA 59 -19.449 10.635 3.822 447 HB3 ALA 59 HB3 ALA 59 -19.793 9.311 2.707 448 H GLY 60 H GLY 60 -17.925 7.356 5.973 449 HA2 GLY 60 HA2 GLY 60 -17.225 5.180 6.065 450 HA3 GLY 60 HA3 GLY 60 -18.884 4.783 5.662 451 H HIS 61 H HIS 61 -16.797 6.562 3.464 452 HA HIS 61 HA HIS 61 -16.612 4.100 1.847 453 HB2 HIS 61 HB2 HIS 61 -16.672 5.457 -0.195 454 HB3 HIS 61 HB3 HIS 61 -18.132 5.671 0.753 455 HD1 HIS 61 HD1 HIS 61 -18.880 8.009 0.854 456 HD2 HIS 61 HD2 HIS 61 -14.764 7.750 0.346 457 HE1 HIS 61 HE1 HIS 61 -18.072 10.382 0.655 458 HE2 HIS 61 HE2 HIS 61 -15.613 10.189 0.155 459 H SER 62 H SER 62 -14.735 3.752 0.651 460 HA SER 62 HA SER 62 -12.390 4.418 2.041 461 HB2 SER 62 HB2 SER 62 -12.548 3.327 -0.775 462 HB3 SER 62 HB3 SER 62 -11.272 3.066 0.419 463 HG SER 62 HG SER 62 -12.653 1.268 0.354 464 H LEU 63 H LEU 63 -10.697 5.776 1.536 465 HA LEU 63 HA LEU 63 -11.521 8.058 -0.092 466 HB2 LEU 63 HB2 LEU 63 -9.303 7.836 1.938 467 HB3 LEU 63 HB3 LEU 63 -9.822 9.309 1.137 468 HG LEU 63 HG LEU 63 -11.463 7.662 3.064 469 HD11 LEU 63 HD11 LEU 63 -9.715 8.930 4.165 470 HD12 LEU 63 HD12 LEU 63 -11.301 9.626 4.505 471 HD13 LEU 63 HD13 LEU 63 -10.233 10.395 3.332 472 HD21 LEU 63 HD21 LEU 63 -12.144 10.189 1.572 473 HD22 LEU 63 HD22 LEU 63 -13.086 9.517 2.900 474 HD23 LEU 63 HD23 LEU 63 -12.915 8.613 1.396 475 H GLY 64 H GLY 64 -10.195 5.461 -1.019 476 HA2 GLY 64 HA2 GLY 64 -9.270 5.217 -3.146 477 HA3 GLY 64 HA3 GLY 64 -8.729 6.883 -3.079 478 H TYR 65 H TYR 65 -7.821 5.226 -0.273 479 HA TYR 65 HA TYR 65 -5.464 4.016 -1.387 480 HB2 TYR 65 HB2 TYR 65 -3.804 5.422 -0.360 481 HB3 TYR 65 HB3 TYR 65 -4.858 6.433 -1.338 482 HD1 TYR 65 HD1 TYR 65 -6.789 7.623 -0.053 483 HD2 TYR 65 HD2 TYR 65 -3.311 6.014 1.776 484 HE1 TYR 65 HE1 TYR 65 -7.118 9.107 1.871 485 HE2 TYR 65 HE2 TYR 65 -3.632 7.489 3.700 486 HH TYR 65 HH TYR 65 -4.719 9.562 4.278 487 H GLY 66 H GLY 66 -4.004 3.144 0.298 488 HA2 GLY 66 HA2 GLY 66 -5.100 2.769 2.946 489 HA3 GLY 66 HA3 GLY 66 -5.158 1.342 1.931 490 H PHE 67 H PHE 67 -3.753 0.778 3.949 491 HA PHE 67 HA PHE 67 -0.943 1.011 3.158 492 HB2 PHE 67 HB2 PHE 67 -2.005 1.401 5.932 493 HB3 PHE 67 HB3 PHE 67 -0.355 1.382 5.515 494 HD1 PHE 67 HD1 PHE 67 0.735 3.327 4.729 495 HD2 PHE 67 HD2 PHE 67 -3.472 3.282 5.229 496 HE1 PHE 67 HE1 PHE 67 0.691 5.774 4.476 497 HE2 PHE 67 HE2 PHE 67 -3.538 5.725 4.973 498 HZ PHE 67 HZ PHE 67 -1.452 6.978 4.598 499 H VAL 68 H VAL 68 -0.573 -1.145 2.743 500 HA VAL 68 HA VAL 68 -1.504 -3.051 4.742 501 HB VAL 68 HB VAL 68 -2.306 -4.193 3.040 502 HG11 VAL 68 HG11 VAL 68 -1.870 -3.749 0.709 503 HG12 VAL 68 HG12 VAL 68 -0.544 -2.671 1.159 504 HG13 VAL 68 HG13 VAL 68 -2.204 -2.275 1.612 505 HG21 VAL 68 HG21 VAL 68 -0.788 -5.636 1.739 506 HG22 VAL 68 HG22 VAL 68 -0.416 -5.638 3.463 507 HG23 VAL 68 HG23 VAL 68 0.582 -4.705 2.346 508 H ASN 69 H ASN 69 -0.150 -3.652 6.163 509 HA ASN 69 HA ASN 69 2.708 -3.404 5.749 510 HB2 ASN 69 HB2 ASN 69 1.326 -2.864 7.910 511 HB3 ASN 69 HB3 ASN 69 1.415 -4.591 8.179 512 HD21 ASN 69 HD21 ASN 69 3.358 -5.533 8.722 513 HD22 ASN 69 HD22 ASN 69 4.740 -4.602 9.168 514 H TYR 70 H TYR 70 3.874 -5.030 4.964 515 HA TYR 70 HA TYR 70 2.768 -7.716 4.901 516 HB2 TYR 70 HB2 TYR 70 5.077 -6.313 3.627 517 HB3 TYR 70 HB3 TYR 70 5.164 -8.057 3.801 518 HD1 TYR 70 HD1 TYR 70 3.110 -9.383 2.905 519 HD2 TYR 70 HD2 TYR 70 4.080 -5.408 1.729 520 HE1 TYR 70 HE1 TYR 70 1.824 -9.684 0.836 521 HE2 TYR 70 HE2 TYR 70 2.786 -5.705 -0.331 522 HH TYR 70 HH TYR 70 2.106 -7.758 -1.777 523 H VAL 71 H VAL 71 4.137 -9.549 5.500 524 HA VAL 71 HA VAL 71 5.317 -9.209 8.091 525 HB VAL 71 HB VAL 71 5.765 -11.601 8.014 526 HG11 VAL 71 HG11 VAL 71 3.445 -12.414 7.616 527 HG12 VAL 71 HG12 VAL 71 3.063 -10.838 6.912 528 HG13 VAL 71 HG13 VAL 71 3.526 -10.958 8.610 529 HG21 VAL 71 HG21 VAL 71 6.512 -11.806 5.709 530 HG22 VAL 71 HG22 VAL 71 4.883 -11.460 5.131 531 HG23 VAL 71 HG23 VAL 71 5.204 -12.942 6.031 532 H THR 72 H THR 72 6.346 -9.176 4.835 533 HA THR 72 HA THR 72 9.198 -9.115 5.591 534 HB THR 72 HB THR 72 9.459 -9.653 3.068 535 HG1 THR 72 HG1 THR 72 7.547 -11.102 2.503 536 HG21 THR 72 HG21 THR 72 8.433 -11.818 4.895 537 HG22 THR 72 HG22 THR 72 10.087 -11.205 4.859 538 HG23 THR 72 HG23 THR 72 9.426 -12.035 3.445 539 H ALA 73 H ALA 73 10.484 -7.527 4.549 540 HA ALA 73 HA ALA 73 9.074 -5.394 3.158 541 HB1 ALA 73 HB1 ALA 73 11.273 -4.330 2.982 542 HB2 ALA 73 HB2 ALA 73 12.030 -5.768 3.671 543 HB3 ALA 73 HB3 ALA 73 10.923 -4.798 4.646 544 H LYS 74 H LYS 74 10.659 -8.301 2.580 545 HA LYS 74 HA LYS 74 11.510 -8.073 -0.078 546 HB2 LYS 74 HB2 LYS 74 12.229 -9.906 1.240 547 HB3 LYS 74 HB3 LYS 74 10.583 -10.371 1.624 548 HG2 LYS 74 HG2 LYS 74 11.040 -10.403 -1.217 549 HG3 LYS 74 HG3 LYS 74 12.193 -11.428 -0.354 550 HD2 LYS 74 HD2 LYS 74 10.546 -12.780 0.512 551 HD3 LYS 74 HD3 LYS 74 9.297 -11.543 0.358 552 HE2 LYS 74 HE2 LYS 74 8.884 -13.210 -1.305 553 HE3 LYS 74 HE3 LYS 74 9.494 -11.762 -2.108 554 HZ1 LYS 74 HZ1 LYS 74 10.510 -13.795 -2.968 555 HZ2 LYS 74 HZ2 LYS 74 11.132 -14.145 -1.434 556 HZ3 LYS 74 HZ3 LYS 74 11.658 -12.771 -2.267 557 H ASP 75 H ASP 75 8.404 -9.299 1.197 558 HA ASP 75 HA ASP 75 7.290 -9.476 -1.459 559 HB2 ASP 75 HB2 ASP 75 6.062 -9.819 1.283 560 HB3 ASP 75 HB3 ASP 75 5.155 -9.999 -0.214 561 H ALA 76 H ALA 76 7.564 -7.018 0.909 562 HA ALA 76 HA ALA 76 5.400 -5.358 0.154 563 HB1 ALA 76 HB1 ALA 76 6.640 -4.863 2.164 564 HB2 ALA 76 HB2 ALA 76 6.841 -3.507 1.054 565 HB3 ALA 76 HB3 ALA 76 8.140 -4.682 1.252 566 H GLU 77 H GLU 77 8.806 -5.265 -0.806 567 HA GLU 77 HA GLU 77 8.540 -3.475 -2.957 568 HB2 GLU 77 HB2 GLU 77 10.676 -3.997 -1.935 569 HB3 GLU 77 HB3 GLU 77 10.520 -5.690 -2.376 570 HG2 GLU 77 HG2 GLU 77 10.600 -5.026 -4.745 571 HG3 GLU 77 HG3 GLU 77 10.920 -3.365 -4.234 572 H ARG 78 H ARG 78 8.014 -6.908 -2.644 573 HA ARG 78 HA ARG 78 7.974 -7.585 -5.384 574 HB2 ARG 78 HB2 ARG 78 8.183 -9.123 -3.389 575 HB3 ARG 78 HB3 ARG 78 6.458 -8.906 -3.151 576 HG2 ARG 78 HG2 ARG 78 5.997 -9.917 -5.279 577 HG3 ARG 78 HG3 ARG 78 7.728 -10.070 -5.602 578 HD2 ARG 78 HD2 ARG 78 7.983 -11.534 -3.693 579 HD3 ARG 78 HD3 ARG 78 6.285 -11.334 -3.282 580 HE ARG 78 HE ARG 78 6.688 -12.378 -5.923 581 HH11 ARG 78 HH11 ARG 78 6.447 -13.153 -2.520 582 HH12 ARG 78 HH12 ARG 78 6.000 -14.811 -2.798 583 HH21 ARG 78 HH21 ARG 78 6.082 -14.563 -6.296 584 HH22 ARG 78 HH22 ARG 78 5.786 -15.611 -4.948 585 H ALA 79 H ALA 79 5.484 -6.627 -3.045 586 HA ALA 79 HA ALA 79 3.259 -6.890 -4.730 587 HB1 ALA 79 HB1 ALA 79 3.696 -4.988 -2.420 588 HB2 ALA 79 HB2 ALA 79 2.970 -6.589 -2.346 589 HB3 ALA 79 HB3 ALA 79 2.137 -5.283 -3.199 590 H ILE 80 H ILE 80 5.577 -4.311 -4.278 591 HA ILE 80 HA ILE 80 4.290 -2.398 -5.909 592 HB ILE 80 HB ILE 80 7.209 -2.685 -5.366 593 HG12 ILE 80 HG12 ILE 80 5.085 -1.202 -3.805 594 HG13 ILE 80 HG13 ILE 80 5.895 -2.674 -3.283 595 HG21 ILE 80 HG21 ILE 80 6.670 -1.150 -7.155 596 HG22 ILE 80 HG22 ILE 80 7.247 -0.274 -5.728 597 HG23 ILE 80 HG23 ILE 80 5.518 -0.310 -6.103 598 HD11 ILE 80 HD11 ILE 80 6.798 -0.707 -2.195 599 HD12 ILE 80 HD12 ILE 80 7.218 -0.028 -3.769 600 HD13 ILE 80 HD13 ILE 80 8.003 -1.503 -3.204 601 H ASN 81 H ASN 81 6.564 -4.937 -6.567 602 HA ASN 81 HA ASN 81 7.046 -3.995 -9.251 603 HB2 ASN 81 HB2 ASN 81 8.012 -6.226 -7.532 604 HB3 ASN 81 HB3 ASN 81 8.352 -6.255 -9.262 605 HD21 ASN 81 HD21 ASN 81 10.089 -6.031 -6.910 606 HD22 ASN 81 HD22 ASN 81 10.998 -4.582 -7.131 607 H THR 82 H THR 82 5.211 -6.463 -7.626 608 HA THR 82 HA THR 82 4.367 -7.702 -10.100 609 HB THR 82 HB THR 82 4.041 -8.355 -7.205 610 HG1 THR 82 HG1 THR 82 4.917 -9.966 -9.379 611 HG21 THR 82 HG21 THR 82 1.846 -8.842 -7.975 612 HG22 THR 82 HG22 THR 82 2.713 -10.382 -7.980 613 HG23 THR 82 HG23 THR 82 2.453 -9.513 -9.495 614 H LEU 83 H LEU 83 2.629 -6.303 -7.275 615 HA LEU 83 HA LEU 83 0.164 -6.416 -8.722 616 HB2 LEU 83 HB2 LEU 83 0.809 -5.141 -6.078 617 HB3 LEU 83 HB3 LEU 83 -0.785 -5.353 -6.736 618 HG LEU 83 HG LEU 83 1.074 -7.591 -5.956 619 HD11 LEU 83 HD11 LEU 83 0.359 -6.970 -3.913 620 HD12 LEU 83 HD12 LEU 83 -1.125 -7.816 -4.390 621 HD13 LEU 83 HD13 LEU 83 -1.004 -6.057 -4.557 622 HD21 LEU 83 HD21 LEU 83 -0.340 -8.292 -7.778 623 HD22 LEU 83 HD22 LEU 83 -1.762 -7.628 -6.974 624 HD23 LEU 83 HD23 LEU 83 -0.923 -9.015 -6.277 625 H ASN 84 H ASN 84 2.249 -3.773 -7.542 626 HA ASN 84 HA ASN 84 0.659 -1.619 -7.722 627 HB2 ASN 84 HB2 ASN 84 2.921 -1.460 -6.971 628 HB3 ASN 84 HB3 ASN 84 3.536 -1.838 -8.577 629 HD21 ASN 84 HD21 ASN 84 4.775 0.032 -8.510 630 HD22 ASN 84 HD22 ASN 84 4.085 1.586 -8.776 631 H GLY 85 H GLY 85 -0.718 -0.924 -9.110 632 HA2 GLY 85 HA2 GLY 85 -1.459 -0.114 -11.198 633 HA3 GLY 85 HA3 GLY 85 -0.169 -1.004 -11.988 634 H LEU 86 H LEU 86 -2.125 -2.479 -9.498 635 HA LEU 86 HA LEU 86 -2.978 -4.485 -11.419 636 HB2 LEU 86 HB2 LEU 86 -2.111 -4.696 -8.887 637 HB3 LEU 86 HB3 LEU 86 -3.824 -4.537 -8.560 638 HG LEU 86 HG LEU 86 -3.076 -6.883 -8.610 639 HD11 LEU 86 HD11 LEU 86 -4.946 -6.152 -10.849 640 HD12 LEU 86 HD12 LEU 86 -5.384 -6.397 -9.157 641 HD13 LEU 86 HD13 LEU 86 -4.792 -7.751 -10.120 642 HD21 LEU 86 HD21 LEU 86 -1.291 -6.604 -10.278 643 HD22 LEU 86 HD22 LEU 86 -2.516 -6.401 -11.529 644 HD23 LEU 86 HD23 LEU 86 -2.383 -7.932 -10.665 645 H ARG 87 H ARG 87 -5.032 -4.773 -12.115 646 HA ARG 87 HA ARG 87 -6.937 -2.686 -11.626 647 HB2 ARG 87 HB2 ARG 87 -7.073 -5.246 -13.213 648 HB3 ARG 87 HB3 ARG 87 -8.434 -4.140 -13.064 649 HG2 ARG 87 HG2 ARG 87 -5.740 -3.333 -14.120 650 HG3 ARG 87 HG3 ARG 87 -7.076 -3.870 -15.141 651 HD2 ARG 87 HD2 ARG 87 -8.448 -2.036 -14.362 652 HD3 ARG 87 HD3 ARG 87 -7.188 -1.534 -13.238 653 HE ARG 87 HE ARG 87 -5.945 -1.461 -15.639 654 HH11 ARG 87 HH11 ARG 87 -8.934 -0.077 -14.452 655 HH12 ARG 87 HH12 ARG 87 -8.820 1.339 -15.445 656 HH21 ARG 87 HH21 ARG 87 -5.779 0.402 -16.929 657 HH22 ARG 87 HH22 ARG 87 -7.022 1.610 -16.865 658 H LEU 88 H LEU 88 -7.282 -2.818 -9.426 659 HA LEU 88 HA LEU 88 -8.620 -5.157 -8.343 660 HB2 LEU 88 HB2 LEU 88 -7.315 -2.770 -7.298 661 HB3 LEU 88 HB3 LEU 88 -8.832 -3.128 -6.493 662 HG LEU 88 HG LEU 88 -6.567 -5.096 -6.796 663 HD11 LEU 88 HD11 LEU 88 -7.419 -3.507 -4.386 664 HD12 LEU 88 HD12 LEU 88 -5.998 -3.160 -5.369 665 HD13 LEU 88 HD13 LEU 88 -6.101 -4.678 -4.473 666 HD21 LEU 88 HD21 LEU 88 -9.154 -5.137 -5.246 667 HD22 LEU 88 HD22 LEU 88 -7.858 -6.324 -5.070 668 HD23 LEU 88 HD23 LEU 88 -8.713 -6.173 -6.605 669 H GLN 89 H GLN 89 -10.697 -5.386 -8.871 670 HA GLN 89 HA GLN 89 -12.868 -4.909 -9.375 671 HB2 GLN 89 HB2 GLN 89 -12.372 -2.592 -7.551 672 HB3 GLN 89 HB3 GLN 89 -13.956 -3.203 -8.005 673 HG2 GLN 89 HG2 GLN 89 -13.334 -5.374 -6.946 674 HG3 GLN 89 HG3 GLN 89 -11.856 -4.607 -6.372 675 HE21 GLN 89 HE21 GLN 89 -13.163 -2.061 -5.922 676 HE22 GLN 89 HE22 GLN 89 -14.119 -2.245 -4.494 677 H SER 90 H SER 90 -10.903 -3.962 -11.104 678 HA SER 90 HA SER 90 -10.887 -2.919 -13.115 679 HB2 SER 90 HB2 SER 90 -13.463 -1.880 -12.124 680 HB3 SER 90 HB3 SER 90 -12.784 -1.273 -13.629 681 HG SER 90 HG SER 90 -12.622 -3.908 -13.693 682 H LYS 91 H LYS 91 -10.345 -1.600 -10.226 683 HA LYS 91 HA LYS 91 -9.604 1.055 -11.241 684 HB2 LYS 91 HB2 LYS 91 -10.860 1.139 -9.265 685 HB3 LYS 91 HB3 LYS 91 -9.915 -0.070 -8.479 686 HG2 LYS 91 HG2 LYS 91 -9.598 2.158 -7.583 687 HG3 LYS 91 HG3 LYS 91 -8.121 1.493 -8.250 688 HD2 LYS 91 HD2 LYS 91 -8.238 2.847 -10.131 689 HD3 LYS 91 HD3 LYS 91 -9.931 3.248 -9.854 690 HE2 LYS 91 HE2 LYS 91 -9.341 4.484 -7.871 691 HE3 LYS 91 HE3 LYS 91 -7.655 4.023 -8.067 692 HZ1 LYS 91 HZ1 LYS 91 -8.063 6.272 -8.858 693 HZ2 LYS 91 HZ2 LYS 91 -9.215 5.706 -9.953 694 HZ3 LYS 91 HZ3 LYS 91 -7.592 5.274 -10.136 695 H THR 92 H THR 92 -7.564 1.652 -11.417 696 HA THR 92 HA THR 92 -5.563 -0.451 -11.062 697 HB THR 92 HB THR 92 -4.526 2.062 -12.094 698 HG1 THR 92 HG1 THR 92 -5.636 1.973 -14.066 699 HG21 THR 92 HG21 THR 92 -3.308 -0.057 -12.175 700 HG22 THR 92 HG22 THR 92 -3.610 0.543 -13.806 701 HG23 THR 92 HG23 THR 92 -4.591 -0.768 -13.156 702 H ILE 93 H ILE 93 -4.415 -0.541 -9.359 703 HA ILE 93 HA ILE 93 -4.480 1.652 -7.462 704 HB ILE 93 HB ILE 93 -3.759 -0.047 -5.829 705 HG12 ILE 93 HG12 ILE 93 -3.794 -2.467 -6.565 706 HG13 ILE 93 HG13 ILE 93 -3.809 -1.920 -8.228 707 HG21 ILE 93 HG21 ILE 93 -6.086 -0.966 -7.538 708 HG22 ILE 93 HG22 ILE 93 -6.153 0.377 -6.404 709 HG23 ILE 93 HG23 ILE 93 -5.865 -1.258 -5.809 710 HD11 ILE 93 HD11 ILE 93 -1.651 -1.697 -6.181 711 HD12 ILE 93 HD12 ILE 93 -1.618 -0.813 -7.702 712 HD13 ILE 93 HD13 ILE 93 -1.627 -2.582 -7.703 713 H LYS 94 H LYS 94 -2.451 2.060 -6.136 714 HA LYS 94 HA LYS 94 0.001 1.412 -7.614 715 HB2 LYS 94 HB2 LYS 94 -0.710 3.788 -8.146 716 HB3 LYS 94 HB3 LYS 94 -0.455 4.155 -6.449 717 HG2 LYS 94 HG2 LYS 94 1.865 3.598 -6.617 718 HG3 LYS 94 HG3 LYS 94 1.648 3.045 -8.280 719 HD2 LYS 94 HD2 LYS 94 0.841 5.369 -8.833 720 HD3 LYS 94 HD3 LYS 94 1.409 5.853 -7.237 721 HE2 LYS 94 HE2 LYS 94 3.150 6.361 -8.768 722 HE3 LYS 94 HE3 LYS 94 3.660 4.931 -7.875 723 HZ1 LYS 94 HZ1 LYS 94 4.152 4.558 -10.140 724 HZ2 LYS 94 HZ2 LYS 94 2.614 5.054 -10.641 725 HZ3 LYS 94 HZ3 LYS 94 2.795 3.604 -9.795 726 H VAL 95 H VAL 95 1.105 0.206 -6.242 727 HA VAL 95 HA VAL 95 0.859 0.778 -3.398 728 HB VAL 95 HB VAL 95 0.964 -1.390 -2.955 729 HG11 VAL 95 HG11 VAL 95 0.539 -1.606 -5.913 730 HG12 VAL 95 HG12 VAL 95 -0.701 -1.427 -4.676 731 HG13 VAL 95 HG13 VAL 95 0.258 -2.910 -4.761 732 HG21 VAL 95 HG21 VAL 95 2.493 -2.971 -4.227 733 HG22 VAL 95 HG22 VAL 95 3.226 -1.723 -3.215 734 HG23 VAL 95 HG23 VAL 95 3.143 -1.503 -4.958 735 H SER 96 H SER 96 2.606 0.998 -2.094 736 HA SER 96 HA SER 96 5.316 0.989 -2.973 737 HB2 SER 96 HB2 SER 96 3.923 3.636 -2.435 738 HB3 SER 96 HB3 SER 96 5.669 3.431 -2.583 739 HG SER 96 HG SER 96 4.257 2.349 -4.677 740 H TYR 97 H TYR 97 6.724 1.690 -1.071 741 HA TYR 97 HA TYR 97 5.718 0.711 1.402 742 HB2 TYR 97 HB2 TYR 97 7.999 2.629 1.392 743 HB3 TYR 97 HB3 TYR 97 7.801 1.120 2.276 744 HD1 TYR 97 HD1 TYR 97 7.859 -1.057 0.864 745 HD2 TYR 97 HD2 TYR 97 9.314 2.705 -0.457 746 HE1 TYR 97 HE1 TYR 97 9.233 -2.193 -0.835 747 HE2 TYR 97 HE2 TYR 97 10.662 1.621 -2.158 748 HH TYR 97 HH TYR 97 10.296 -1.640 -3.020 749 H ALA 98 H ALA 98 4.476 1.663 2.844 750 HA ALA 98 HA ALA 98 3.848 4.460 2.637 751 HB1 ALA 98 HB1 ALA 98 2.174 2.774 3.446 752 HB2 ALA 98 HB2 ALA 98 2.428 4.093 4.586 753 HB3 ALA 98 HB3 ALA 98 3.172 2.524 4.882 754 H ARG 99 H ARG 99 4.636 6.089 4.006 755 HA ARG 99 HA ARG 99 7.320 6.017 4.550 756 HB2 ARG 99 HB2 ARG 99 6.892 8.051 5.999 757 HB3 ARG 99 HB3 ARG 99 6.283 8.131 4.353 758 HG2 ARG 99 HG2 ARG 99 4.043 7.735 5.083 759 HG3 ARG 99 HG3 ARG 99 4.587 7.378 6.723 760 HD2 ARG 99 HD2 ARG 99 3.623 9.632 6.525 761 HD3 ARG 99 HD3 ARG 99 5.313 9.667 7.017 762 HE ARG 99 HE ARG 99 5.169 9.899 4.217 763 HH11 ARG 99 HH11 ARG 99 4.379 11.728 7.087 764 HH12 ARG 99 HH12 ARG 99 4.672 13.268 6.345 765 HH21 ARG 99 HH21 ARG 99 5.542 11.909 3.230 766 HH22 ARG 99 HH22 ARG 99 5.329 13.371 4.139 767 HA PRO 100 HA PRO 100 7.253 3.520 8.320 768 HB2 PRO 100 HB2 PRO 100 10.168 3.563 7.933 769 HB3 PRO 100 HB3 PRO 100 9.070 2.188 8.037 770 HG2 PRO 100 HG2 PRO 100 10.218 2.873 5.721 771 HG3 PRO 100 HG3 PRO 100 8.562 2.241 5.786 772 HD2 PRO 100 HD2 PRO 100 9.500 5.073 5.523 773 HD3 PRO 100 HD3 PRO 100 8.197 4.235 4.657 774 H SER 101 H SER 101 7.140 4.421 10.227 775 HA SER 101 HA SER 101 7.190 5.990 11.836 776 HB2 SER 101 HB2 SER 101 10.132 5.410 11.600 777 HB3 SER 101 HB3 SER 101 9.200 5.798 13.034 778 HG SER 101 HG SER 101 8.289 3.841 13.043 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -3.696 13.920 7.479 2 H2 GLY 1 H2 GLY 1 -3.598 12.380 8.167 3 H3 GLY 1 H3 GLY 1 -3.540 12.563 6.488 4 HA2 GLY 1 HA2 GLY 1 -1.501 13.524 8.412 5 HA3 GLY 1 HA3 GLY 1 -1.337 12.133 7.351 6 H HIS 2 H HIS 2 0.628 13.697 6.954 7 HA HIS 2 HA HIS 2 -0.065 15.212 4.532 8 HB2 HIS 2 HB2 HIS 2 1.793 16.015 6.760 9 HB3 HIS 2 HB3 HIS 2 1.986 16.659 5.134 10 HD1 HIS 2 HD1 HIS 2 0.243 17.272 8.242 11 HD2 HIS 2 HD2 HIS 2 -0.450 18.058 4.218 12 HE1 HIS 2 HE1 HIS 2 -1.483 19.099 8.196 13 HE2 HIS 2 HE2 HIS 2 -1.940 19.510 5.753 14 H MET 3 H MET 3 0.406 13.023 3.661 15 HA MET 3 HA MET 3 3.285 12.854 3.075 16 HB2 MET 3 HB2 MET 3 2.469 10.984 4.542 17 HB3 MET 3 HB3 MET 3 1.394 10.498 3.238 18 HG2 MET 3 HG2 MET 3 3.370 10.170 1.788 19 HG3 MET 3 HG3 MET 3 4.404 10.549 3.162 20 HE1 MET 3 HE1 MET 3 2.529 9.101 5.484 21 HE2 MET 3 HE2 MET 3 4.291 9.130 5.466 22 HE3 MET 3 HE3 MET 3 3.436 7.595 5.622 23 H SER 4 H SER 4 2.922 14.158 1.216 24 HA SER 4 HA SER 4 1.055 13.390 -0.803 25 HB2 SER 4 HB2 SER 4 3.469 15.211 -0.974 26 HB3 SER 4 HB3 SER 4 2.215 15.066 -2.203 27 HG SER 4 HG SER 4 1.974 16.059 0.441 28 H ASN 5 H ASN 5 4.308 12.535 -0.012 29 HA ASN 5 HA ASN 5 4.804 11.216 -2.552 30 HB2 ASN 5 HB2 ASN 5 6.591 12.405 -1.184 31 HB3 ASN 5 HB3 ASN 5 6.476 11.081 -0.035 32 HD21 ASN 5 HD21 ASN 5 6.295 10.846 -3.556 33 HD22 ASN 5 HD22 ASN 5 7.742 9.913 -3.743 34 H GLY 6 H GLY 6 2.541 10.382 -0.955 35 HA2 GLY 6 HA2 GLY 6 3.221 7.836 0.233 36 HA3 GLY 6 HA3 GLY 6 1.605 8.507 0.041 37 H TYR 7 H TYR 7 4.231 7.636 -2.151 38 HA TYR 7 HA TYR 7 3.084 5.415 -3.344 39 HB2 TYR 7 HB2 TYR 7 2.316 6.305 -5.501 40 HB3 TYR 7 HB3 TYR 7 1.339 6.922 -4.179 41 HD1 TYR 7 HD1 TYR 7 4.294 8.698 -3.911 42 HD2 TYR 7 HD2 TYR 7 0.884 8.355 -6.444 43 HE1 TYR 7 HE1 TYR 7 4.654 11.000 -4.720 44 HE2 TYR 7 HE2 TYR 7 1.244 10.648 -7.257 45 HH TYR 7 HH TYR 7 4.124 12.389 -6.626 46 H GLU 8 H GLU 8 4.104 5.311 -5.787 47 HA GLU 8 HA GLU 8 5.964 5.269 -7.081 48 HB2 GLU 8 HB2 GLU 8 6.399 7.474 -7.337 49 HB3 GLU 8 HB3 GLU 8 6.217 7.815 -5.620 50 HG2 GLU 8 HG2 GLU 8 8.520 6.724 -5.380 51 HG3 GLU 8 HG3 GLU 8 8.640 6.925 -7.126 52 H ASP 9 H ASP 9 7.675 3.895 -7.052 53 HA ASP 9 HA ASP 9 8.425 2.763 -4.512 54 HB2 ASP 9 HB2 ASP 9 9.759 1.182 -5.815 55 HB3 ASP 9 HB3 ASP 9 8.129 1.313 -6.461 56 H HIS 10 H HIS 10 9.275 5.431 -6.012 57 HA HIS 10 HA HIS 10 10.664 7.071 -5.375 58 HB2 HIS 10 HB2 HIS 10 11.910 5.091 -3.459 59 HB3 HIS 10 HB3 HIS 10 12.104 6.839 -3.432 60 HD1 HIS 10 HD1 HIS 10 9.393 7.977 -3.534 61 HD2 HIS 10 HD2 HIS 10 10.141 4.385 -1.545 62 HE1 HIS 10 HE1 HIS 10 7.433 7.648 -1.989 63 HE2 HIS 10 HE2 HIS 10 7.874 5.441 -0.839 64 H MET 11 H MET 11 11.055 5.911 -7.617 65 HA MET 11 HA MET 11 13.824 5.255 -8.057 66 HB2 MET 11 HB2 MET 11 13.156 5.114 -10.420 67 HB3 MET 11 HB3 MET 11 12.095 4.163 -9.391 68 HG2 MET 11 HG2 MET 11 11.459 6.932 -10.381 69 HG3 MET 11 HG3 MET 11 10.923 5.447 -11.164 70 HE1 MET 11 HE1 MET 11 8.524 7.040 -10.762 71 HE2 MET 11 HE2 MET 11 9.401 8.119 -9.677 72 HE3 MET 11 HE3 MET 11 7.911 7.341 -9.131 73 H ALA 12 H ALA 12 12.167 8.052 -7.528 74 HA ALA 12 HA ALA 12 13.393 9.670 -9.583 75 HB1 ALA 12 HB1 ALA 12 11.726 10.516 -7.219 76 HB2 ALA 12 HB2 ALA 12 11.104 10.116 -8.818 77 HB3 ALA 12 HB3 ALA 12 12.160 11.512 -8.607 78 H GLU 13 H GLU 13 13.490 9.636 -6.014 79 HA GLU 13 HA GLU 13 16.287 10.467 -6.126 80 HB2 GLU 13 HB2 GLU 13 15.905 12.281 -4.494 81 HB3 GLU 13 HB3 GLU 13 15.101 12.580 -6.026 82 HG2 GLU 13 HG2 GLU 13 12.980 12.018 -5.118 83 HG3 GLU 13 HG3 GLU 13 13.711 11.411 -3.634 84 H ASP 14 H ASP 14 14.630 8.120 -5.275 85 HA ASP 14 HA ASP 14 14.414 6.599 -3.611 86 HB2 ASP 14 HB2 ASP 14 16.941 7.916 -2.624 87 HB3 ASP 14 HB3 ASP 14 16.252 6.440 -1.955 88 H CYS 15 H CYS 15 14.998 6.592 -0.966 89 HA CYS 15 HA CYS 15 13.874 8.716 0.524 90 HB2 CYS 15 HB2 CYS 15 12.124 6.549 -0.522 91 HB3 CYS 15 HB3 CYS 15 11.802 7.220 1.079 92 HG CYS 15 HG CYS 15 12.130 9.434 -1.441 93 H ARG 16 H ARG 16 12.831 7.456 2.653 94 HA ARG 16 HA ARG 16 14.853 5.627 3.610 95 HB2 ARG 16 HB2 ARG 16 12.287 6.646 4.853 96 HB3 ARG 16 HB3 ARG 16 13.380 5.529 5.655 97 HG2 ARG 16 HG2 ARG 16 13.873 7.653 6.508 98 HG3 ARG 16 HG3 ARG 16 15.175 7.279 5.381 99 HD2 ARG 16 HD2 ARG 16 14.018 8.630 3.665 100 HD3 ARG 16 HD3 ARG 16 12.783 9.042 4.855 101 HE ARG 16 HE ARG 16 15.521 9.684 5.580 102 HH11 ARG 16 HH11 ARG 16 12.487 10.808 4.247 103 HH12 ARG 16 HH12 ARG 16 12.846 12.484 4.510 104 HH21 ARG 16 HH21 ARG 16 15.989 11.892 5.945 105 HH22 ARG 16 HH22 ARG 16 14.834 13.101 5.483 106 H GLY 17 H GLY 17 13.966 4.439 1.457 107 HA2 GLY 17 HA2 GLY 17 11.836 2.585 2.324 108 HA3 GLY 17 HA3 GLY 17 12.118 3.050 0.652 109 H ASP 18 H ASP 18 14.594 2.186 3.012 110 HA ASP 18 HA ASP 18 15.029 -0.355 1.619 111 HB2 ASP 18 HB2 ASP 18 16.417 1.309 0.457 112 HB3 ASP 18 HB3 ASP 18 17.168 1.756 1.983 113 H ILE 19 H ILE 19 14.655 1.200 4.468 114 HA ILE 19 HA ILE 19 16.799 0.012 5.967 115 HB ILE 19 HB ILE 19 14.769 0.921 7.725 116 HG12 ILE 19 HG12 ILE 19 15.303 3.403 6.671 117 HG13 ILE 19 HG13 ILE 19 14.960 2.445 5.249 118 HG21 ILE 19 HG21 ILE 19 17.134 0.865 8.229 119 HG22 ILE 19 HG22 ILE 19 16.511 2.504 8.409 120 HG23 ILE 19 HG23 ILE 19 17.453 2.069 6.982 121 HD11 ILE 19 HD11 ILE 19 12.951 3.520 6.083 122 HD12 ILE 19 HD12 ILE 19 13.163 2.721 7.640 123 HD13 ILE 19 HD13 ILE 19 12.828 1.764 6.195 124 H GLY 20 H GLY 20 13.412 0.007 6.856 125 HA2 GLY 20 HA2 GLY 20 13.300 -2.915 6.765 126 HA3 GLY 20 HA3 GLY 20 13.020 -2.128 8.318 127 H ARG 21 H ARG 21 12.138 -0.995 5.143 128 HA ARG 21 HA ARG 21 9.579 -0.194 5.965 129 HB2 ARG 21 HB2 ARG 21 9.307 -0.095 3.309 130 HB3 ARG 21 HB3 ARG 21 10.139 1.129 4.252 131 HG2 ARG 21 HG2 ARG 21 11.441 0.589 2.321 132 HG3 ARG 21 HG3 ARG 21 12.274 0.029 3.763 133 HD2 ARG 21 HD2 ARG 21 11.735 -2.234 3.305 134 HD3 ARG 21 HD3 ARG 21 10.561 -1.778 2.070 135 HE ARG 21 HE ARG 21 12.986 -0.777 1.209 136 HH11 ARG 21 HH11 ARG 21 11.655 -3.936 1.939 137 HH12 ARG 21 HH12 ARG 21 12.681 -4.770 0.819 138 HH21 ARG 21 HH21 ARG 21 14.321 -1.880 -0.289 139 HH22 ARG 21 HH22 ARG 21 14.182 -3.600 -0.452 140 H THR 22 H THR 22 8.313 -1.788 6.722 141 HA THR 22 HA THR 22 7.547 -3.926 4.855 142 HB THR 22 HB THR 22 6.399 -4.911 6.850 143 HG1 THR 22 HG1 THR 22 7.438 -3.772 8.877 144 HG21 THR 22 HG21 THR 22 9.329 -4.268 7.206 145 HG22 THR 22 HG22 THR 22 8.657 -5.630 6.305 146 HG23 THR 22 HG23 THR 22 8.459 -5.547 8.056 147 H ASN 23 H ASN 23 6.572 -0.951 6.171 148 HA ASN 23 HA ASN 23 3.726 -1.302 5.904 149 HB2 ASN 23 HB2 ASN 23 5.143 0.415 7.353 150 HB3 ASN 23 HB3 ASN 23 5.038 1.385 5.883 151 HD21 ASN 23 HD21 ASN 23 2.377 0.309 5.203 152 HD22 ASN 23 HD22 ASN 23 1.271 1.061 6.295 153 H LEU 24 H LEU 24 2.789 -1.430 3.962 154 HA LEU 24 HA LEU 24 3.991 0.104 1.765 155 HB2 LEU 24 HB2 LEU 24 3.218 -2.577 1.940 156 HB3 LEU 24 HB3 LEU 24 1.981 -1.809 0.967 157 HG LEU 24 HG LEU 24 3.639 -1.052 -0.627 158 HD11 LEU 24 HD11 LEU 24 5.991 -1.871 -0.388 159 HD12 LEU 24 HD12 LEU 24 5.607 -2.279 1.286 160 HD13 LEU 24 HD13 LEU 24 5.529 -0.605 0.746 161 HD21 LEU 24 HD21 LEU 24 4.078 -3.940 0.054 162 HD22 LEU 24 HD22 LEU 24 4.286 -3.174 -1.520 163 HD23 LEU 24 HD23 LEU 24 2.678 -3.310 -0.811 164 H ILE 25 H ILE 25 3.035 1.918 1.386 165 HA ILE 25 HA ILE 25 0.228 2.312 1.943 166 HB ILE 25 HB ILE 25 1.942 4.121 2.270 167 HG12 ILE 25 HG12 ILE 25 -0.388 4.631 0.422 168 HG13 ILE 25 HG13 ILE 25 -0.389 4.632 2.185 169 HG21 ILE 25 HG21 ILE 25 1.934 4.248 -0.737 170 HG22 ILE 25 HG22 ILE 25 3.272 3.682 0.265 171 HG23 ILE 25 HG23 ILE 25 2.749 5.368 0.357 172 HD11 ILE 25 HD11 ILE 25 1.087 6.589 0.453 173 HD12 ILE 25 HD12 ILE 25 1.005 6.599 2.215 174 HD13 ILE 25 HD13 ILE 25 -0.452 6.885 1.260 175 H VAL 26 H VAL 26 -1.366 2.180 0.444 176 HA VAL 26 HA VAL 26 -0.515 1.649 -2.331 177 HB VAL 26 HB VAL 26 -2.932 0.415 -1.015 178 HG11 VAL 26 HG11 VAL 26 -1.457 -0.179 -3.584 179 HG12 VAL 26 HG12 VAL 26 -3.028 0.607 -3.450 180 HG13 VAL 26 HG13 VAL 26 -2.841 -1.079 -2.967 181 HG21 VAL 26 HG21 VAL 26 -1.609 -1.640 -0.900 182 HG22 VAL 26 HG22 VAL 26 -0.920 -0.362 0.102 183 HG23 VAL 26 HG23 VAL 26 -0.194 -0.750 -1.458 184 H ASN 27 H ASN 27 -1.080 3.285 -3.506 185 HA ASN 27 HA ASN 27 -3.390 4.902 -2.741 186 HB2 ASN 27 HB2 ASN 27 -0.863 5.567 -3.679 187 HB3 ASN 27 HB3 ASN 27 -1.899 5.799 -5.078 188 HD21 ASN 27 HD21 ASN 27 -0.986 6.948 -1.991 189 HD22 ASN 27 HD22 ASN 27 -1.998 8.352 -1.961 190 H TYR 28 H TYR 28 -4.654 5.773 -4.602 191 HA TYR 28 HA TYR 28 -6.035 5.527 -6.371 192 HB2 TYR 28 HB2 TYR 28 -3.876 3.716 -7.450 193 HB3 TYR 28 HB3 TYR 28 -5.158 4.471 -8.388 194 HD1 TYR 28 HD1 TYR 28 -1.898 4.842 -6.956 195 HD2 TYR 28 HD2 TYR 28 -5.165 7.008 -8.593 196 HE1 TYR 28 HE1 TYR 28 -0.436 6.787 -7.253 197 HE2 TYR 28 HE2 TYR 28 -3.710 8.970 -8.910 198 HH TYR 28 HH TYR 28 -1.610 9.884 -7.940 199 H LEU 29 H LEU 29 -6.286 3.730 -4.112 200 HA LEU 29 HA LEU 29 -7.167 1.171 -5.038 201 HB2 LEU 29 HB2 LEU 29 -7.960 2.739 -2.574 202 HB3 LEU 29 HB3 LEU 29 -8.348 1.056 -2.865 203 HG LEU 29 HG LEU 29 -5.631 2.251 -2.356 204 HD11 LEU 29 HD11 LEU 29 -5.640 0.748 -0.450 205 HD12 LEU 29 HD12 LEU 29 -7.231 0.144 -0.912 206 HD13 LEU 29 HD13 LEU 29 -7.038 1.821 -0.399 207 HD21 LEU 29 HD21 LEU 29 -5.339 0.635 -4.099 208 HD22 LEU 29 HD22 LEU 29 -6.355 -0.530 -3.252 209 HD23 LEU 29 HD23 LEU 29 -4.791 -0.071 -2.579 210 HA PRO 30 HA PRO 30 -11.119 2.255 -6.801 211 HB2 PRO 30 HB2 PRO 30 -12.193 -0.139 -5.440 212 HB3 PRO 30 HB3 PRO 30 -12.174 0.260 -7.155 213 HG2 PRO 30 HG2 PRO 30 -10.567 -1.629 -6.098 214 HG3 PRO 30 HG3 PRO 30 -10.086 -0.634 -7.481 215 HD2 PRO 30 HD2 PRO 30 -9.237 -0.469 -4.638 216 HD3 PRO 30 HD3 PRO 30 -8.324 -0.098 -6.113 217 H GLN 31 H GLN 31 -12.839 3.419 -6.061 218 HA GLN 31 HA GLN 31 -12.650 4.340 -3.398 219 HB2 GLN 31 HB2 GLN 31 -14.917 4.885 -5.289 220 HB3 GLN 31 HB3 GLN 31 -14.352 5.893 -3.962 221 HG2 GLN 31 HG2 GLN 31 -12.859 5.275 -6.484 222 HG3 GLN 31 HG3 GLN 31 -13.663 6.791 -6.105 223 HE21 GLN 31 HE21 GLN 31 -12.729 6.725 -3.304 224 HE22 GLN 31 HE22 GLN 31 -11.050 7.130 -3.371 225 H ASN 32 H ASN 32 -14.364 1.780 -4.818 226 HA ASN 32 HA ASN 32 -16.255 1.641 -2.574 227 HB2 ASN 32 HB2 ASN 32 -17.635 0.229 -3.972 228 HB3 ASN 32 HB3 ASN 32 -17.241 1.696 -4.857 229 HD21 ASN 32 HD21 ASN 32 -18.066 -0.929 -5.831 230 HD22 ASN 32 HD22 ASN 32 -16.816 -1.458 -6.906 231 H MET 33 H MET 33 -13.290 0.569 -3.100 232 HA MET 33 HA MET 33 -13.680 -2.271 -2.700 233 HB2 MET 33 HB2 MET 33 -11.662 -0.809 -3.790 234 HB3 MET 33 HB3 MET 33 -11.021 -1.126 -2.185 235 HG2 MET 33 HG2 MET 33 -11.344 -3.512 -2.523 236 HG3 MET 33 HG3 MET 33 -12.014 -3.206 -4.112 237 HE1 MET 33 HE1 MET 33 -9.126 -1.174 -2.565 238 HE2 MET 33 HE2 MET 33 -7.678 -1.989 -3.160 239 HE3 MET 33 HE3 MET 33 -8.678 -2.758 -1.920 240 H THR 34 H THR 34 -12.370 -3.320 -0.859 241 HA THR 34 HA THR 34 -12.993 -1.867 1.626 242 HB THR 34 HB THR 34 -13.621 -3.933 2.670 243 HG1 THR 34 HG1 THR 34 -13.556 -5.887 1.216 244 HG21 THR 34 HG21 THR 34 -15.321 -2.905 1.185 245 HG22 THR 34 HG22 THR 34 -15.505 -4.653 1.340 246 HG23 THR 34 HG23 THR 34 -14.776 -3.967 -0.117 247 H GLN 35 H GLN 35 -11.709 -2.590 3.543 248 HA GLN 35 HA GLN 35 -8.962 -2.725 3.220 249 HB2 GLN 35 HB2 GLN 35 -10.537 -4.059 5.427 250 HB3 GLN 35 HB3 GLN 35 -8.814 -3.725 5.451 251 HG2 GLN 35 HG2 GLN 35 -9.791 -2.088 6.783 252 HG3 GLN 35 HG3 GLN 35 -9.417 -1.294 5.263 253 HE21 GLN 35 HE21 GLN 35 -12.126 -3.467 5.632 254 HE22 GLN 35 HE22 GLN 35 -13.359 -2.262 5.504 255 H ASP 36 H ASP 36 -11.319 -5.320 3.507 256 HA ASP 36 HA ASP 36 -9.536 -7.477 3.656 257 HB2 ASP 36 HB2 ASP 36 -11.907 -7.646 4.235 258 HB3 ASP 36 HB3 ASP 36 -12.355 -7.360 2.561 259 H GLU 37 H GLU 37 -10.925 -5.819 0.857 260 HA GLU 37 HA GLU 37 -9.883 -7.658 -1.067 261 HB2 GLU 37 HB2 GLU 37 -10.670 -4.762 -1.413 262 HB3 GLU 37 HB3 GLU 37 -10.470 -5.934 -2.705 263 HG2 GLU 37 HG2 GLU 37 -12.516 -6.194 -0.519 264 HG3 GLU 37 HG3 GLU 37 -12.842 -5.427 -2.071 265 H LEU 38 H LEU 38 -8.906 -4.459 0.092 266 HA LEU 38 HA LEU 38 -6.504 -4.194 -1.327 267 HB2 LEU 38 HB2 LEU 38 -7.658 -2.369 -0.152 268 HB3 LEU 38 HB3 LEU 38 -7.370 -3.139 1.385 269 HG LEU 38 HG LEU 38 -5.921 -1.103 0.607 270 HD11 LEU 38 HD11 LEU 38 -4.131 -1.837 2.006 271 HD12 LEU 38 HD12 LEU 38 -4.625 -3.521 1.825 272 HD13 LEU 38 HD13 LEU 38 -5.664 -2.383 2.689 273 HD21 LEU 38 HD21 LEU 38 -3.851 -1.774 -0.490 274 HD22 LEU 38 HD22 LEU 38 -5.253 -2.055 -1.524 275 HD23 LEU 38 HD23 LEU 38 -4.489 -3.406 -0.689 276 H ARG 39 H ARG 39 -7.338 -5.853 1.605 277 HA ARG 39 HA ARG 39 -4.675 -6.428 2.439 278 HB2 ARG 39 HB2 ARG 39 -6.854 -6.232 3.813 279 HB3 ARG 39 HB3 ARG 39 -7.166 -7.870 3.300 280 HG2 ARG 39 HG2 ARG 39 -4.638 -7.135 4.699 281 HG3 ARG 39 HG3 ARG 39 -6.115 -7.492 5.581 282 HD2 ARG 39 HD2 ARG 39 -6.202 -9.671 4.343 283 HD3 ARG 39 HD3 ARG 39 -4.567 -9.322 3.760 284 HE ARG 39 HE ARG 39 -4.918 -9.160 6.635 285 HH11 ARG 39 HH11 ARG 39 -3.955 -11.214 3.948 286 HH12 ARG 39 HH12 ARG 39 -3.103 -12.332 4.975 287 HH21 ARG 39 HH21 ARG 39 -3.780 -10.615 7.942 288 HH22 ARG 39 HH22 ARG 39 -2.998 -11.988 7.226 289 H SER 40 H SER 40 -7.284 -8.331 0.867 290 HA SER 40 HA SER 40 -5.832 -10.765 0.929 291 HB2 SER 40 HB2 SER 40 -7.576 -11.551 -0.690 292 HB3 SER 40 HB3 SER 40 -8.226 -10.830 0.781 293 HG SER 40 HG SER 40 -9.203 -9.438 -0.421 294 H LEU 41 H LEU 41 -6.171 -8.262 -1.535 295 HA LEU 41 HA LEU 41 -4.845 -9.596 -3.625 296 HB2 LEU 41 HB2 LEU 41 -6.247 -7.491 -3.691 297 HB3 LEU 41 HB3 LEU 41 -4.862 -6.650 -3.045 298 HG LEU 41 HG LEU 41 -5.443 -6.759 -5.641 299 HD11 LEU 41 HD11 LEU 41 -2.658 -6.756 -4.515 300 HD12 LEU 41 HD12 LEU 41 -3.741 -5.368 -4.585 301 HD13 LEU 41 HD13 LEU 41 -3.149 -6.101 -6.075 302 HD21 LEU 41 HD21 LEU 41 -3.508 -9.040 -5.213 303 HD22 LEU 41 HD22 LEU 41 -3.957 -8.340 -6.771 304 HD23 LEU 41 HD23 LEU 41 -5.167 -9.183 -5.805 305 H PHE 42 H PHE 42 -3.648 -7.689 -0.926 306 HA PHE 42 HA PHE 42 -0.935 -8.024 -1.809 307 HB2 PHE 42 HB2 PHE 42 -2.200 -6.773 0.610 308 HB3 PHE 42 HB3 PHE 42 -0.452 -7.023 0.516 309 HD1 PHE 42 HD1 PHE 42 -3.275 -5.613 -1.486 310 HD2 PHE 42 HD2 PHE 42 0.868 -5.385 -0.459 311 HE1 PHE 42 HE1 PHE 42 -3.027 -3.620 -2.893 312 HE2 PHE 42 HE2 PHE 42 1.088 -3.365 -1.867 313 HZ PHE 42 HZ PHE 42 -0.848 -2.515 -3.074 314 H SER 43 H SER 43 -3.168 -9.729 0.211 315 HA SER 43 HA SER 43 -1.317 -11.405 1.510 316 HB2 SER 43 HB2 SER 43 -4.148 -12.068 0.670 317 HB3 SER 43 HB3 SER 43 -3.224 -12.776 1.979 318 HG SER 43 HG SER 43 -3.715 -10.019 1.938 319 H SER 44 H SER 44 -2.387 -11.113 -1.724 320 HA SER 44 HA SER 44 -1.912 -13.760 -2.620 321 HB2 SER 44 HB2 SER 44 -2.324 -12.951 -4.762 322 HB3 SER 44 HB3 SER 44 -3.162 -11.733 -3.794 323 HG SER 44 HG SER 44 -1.711 -10.284 -4.320 324 H ILE 45 H ILE 45 0.015 -10.825 -2.438 325 HA ILE 45 HA ILE 45 2.422 -11.862 -3.476 326 HB ILE 45 HB ILE 45 1.824 -9.603 -1.577 327 HG12 ILE 45 HG12 ILE 45 1.335 -9.537 -4.086 328 HG13 ILE 45 HG13 ILE 45 2.282 -8.208 -3.420 329 HG21 ILE 45 HG21 ILE 45 4.010 -10.471 -0.926 330 HG22 ILE 45 HG22 ILE 45 4.177 -8.904 -1.725 331 HG23 ILE 45 HG23 ILE 45 4.554 -10.386 -2.600 332 HD11 ILE 45 HD11 ILE 45 4.296 -9.129 -4.272 333 HD12 ILE 45 HD12 ILE 45 3.106 -9.077 -5.576 334 HD13 ILE 45 HD13 ILE 45 3.470 -10.605 -4.776 335 H GLY 46 H GLY 46 1.116 -11.774 -0.188 336 HA2 GLY 46 HA2 GLY 46 2.434 -14.049 0.718 337 HA3 GLY 46 HA3 GLY 46 3.486 -12.686 1.067 338 H GLU 47 H GLU 47 3.284 -12.901 3.293 339 HA GLU 47 HA GLU 47 0.621 -12.847 4.433 340 HB2 GLU 47 HB2 GLU 47 3.359 -13.315 5.512 341 HB3 GLU 47 HB3 GLU 47 2.085 -12.805 6.616 342 HG2 GLU 47 HG2 GLU 47 0.808 -14.706 6.206 343 HG3 GLU 47 HG3 GLU 47 1.718 -15.109 4.753 344 H VAL 48 H VAL 48 -0.391 -11.170 4.924 345 HA VAL 48 HA VAL 48 0.977 -8.594 5.035 346 HB VAL 48 HB VAL 48 -1.948 -9.287 4.833 347 HG11 VAL 48 HG11 VAL 48 -1.903 -7.274 6.048 348 HG12 VAL 48 HG12 VAL 48 -2.171 -6.798 4.370 349 HG13 VAL 48 HG13 VAL 48 -0.569 -6.636 5.092 350 HG21 VAL 48 HG21 VAL 48 -0.067 -8.037 2.848 351 HG22 VAL 48 HG22 VAL 48 -1.777 -8.385 2.587 352 HG23 VAL 48 HG23 VAL 48 -0.630 -9.708 2.822 353 H GLU 49 H GLU 49 1.509 -7.767 6.803 354 HA GLU 49 HA GLU 49 1.005 -8.895 9.307 355 HB2 GLU 49 HB2 GLU 49 2.995 -7.587 8.573 356 HB3 GLU 49 HB3 GLU 49 2.020 -6.131 8.721 357 HG2 GLU 49 HG2 GLU 49 1.800 -7.672 11.103 358 HG3 GLU 49 HG3 GLU 49 3.497 -7.481 10.695 359 H SER 50 H SER 50 -0.195 -5.980 7.686 360 HA SER 50 HA SER 50 -2.775 -6.204 8.840 361 HB2 SER 50 HB2 SER 50 -2.720 -4.046 10.130 362 HB3 SER 50 HB3 SER 50 -1.772 -5.340 10.858 363 HG SER 50 HG SER 50 0.072 -4.345 10.305 364 H ALA 51 H ALA 51 -4.208 -5.172 7.513 365 HA ALA 51 HA ALA 51 -3.089 -3.153 5.688 366 HB1 ALA 51 HB1 ALA 51 -4.339 -4.010 3.844 367 HB2 ALA 51 HB2 ALA 51 -5.167 -5.186 4.875 368 HB3 ALA 51 HB3 ALA 51 -3.438 -5.347 4.556 369 H LYS 52 H LYS 52 -4.087 -1.279 5.676 370 HA LYS 52 HA LYS 52 -6.838 -1.203 6.691 371 HB2 LYS 52 HB2 LYS 52 -6.308 1.247 7.178 372 HB3 LYS 52 HB3 LYS 52 -5.694 0.042 8.274 373 HG2 LYS 52 HG2 LYS 52 -3.494 0.260 7.247 374 HG3 LYS 52 HG3 LYS 52 -4.151 1.513 6.181 375 HD2 LYS 52 HD2 LYS 52 -4.691 2.917 8.049 376 HD3 LYS 52 HD3 LYS 52 -4.290 1.638 9.188 377 HE2 LYS 52 HE2 LYS 52 -1.945 1.759 8.471 378 HE3 LYS 52 HE3 LYS 52 -2.363 3.066 7.367 379 HZ1 LYS 52 HZ1 LYS 52 -2.653 3.149 10.319 380 HZ2 LYS 52 HZ2 LYS 52 -3.042 4.405 9.254 381 HZ3 LYS 52 HZ3 LYS 52 -1.435 3.910 9.425 382 H LEU 53 H LEU 53 -8.327 0.054 5.729 383 HA LEU 53 HA LEU 53 -7.628 1.207 3.116 384 HB2 LEU 53 HB2 LEU 53 -9.114 -0.697 2.860 385 HB3 LEU 53 HB3 LEU 53 -10.199 -0.064 4.082 386 HG LEU 53 HG LEU 53 -10.191 1.976 2.290 387 HD11 LEU 53 HD11 LEU 53 -10.481 0.965 0.075 388 HD12 LEU 53 HD12 LEU 53 -9.976 -0.599 0.734 389 HD13 LEU 53 HD13 LEU 53 -8.837 0.756 0.692 390 HD21 LEU 53 HD21 LEU 53 -12.146 0.998 3.329 391 HD22 LEU 53 HD22 LEU 53 -11.968 -0.457 2.353 392 HD23 LEU 53 HD23 LEU 53 -12.373 1.075 1.582 393 H ILE 54 H ILE 54 -8.178 3.321 2.824 394 HA ILE 54 HA ILE 54 -9.077 4.673 5.260 395 HB ILE 54 HB ILE 54 -7.885 5.879 2.777 396 HG12 ILE 54 HG12 ILE 54 -6.236 4.434 3.784 397 HG13 ILE 54 HG13 ILE 54 -5.809 6.100 4.152 398 HG21 ILE 54 HG21 ILE 54 -8.303 7.037 5.532 399 HG22 ILE 54 HG22 ILE 54 -9.238 7.430 4.090 400 HG23 ILE 54 HG23 ILE 54 -7.528 7.856 4.175 401 HD11 ILE 54 HD11 ILE 54 -5.463 4.675 6.071 402 HD12 ILE 54 HD12 ILE 54 -7.145 4.150 6.014 403 HD13 ILE 54 HD13 ILE 54 -6.758 5.829 6.393 404 H ARG 55 H ARG 55 -11.107 5.289 5.410 405 HA ARG 55 HA ARG 55 -12.488 6.105 2.952 406 HB2 ARG 55 HB2 ARG 55 -13.886 4.724 5.240 407 HB3 ARG 55 HB3 ARG 55 -14.527 5.102 3.646 408 HG2 ARG 55 HG2 ARG 55 -12.587 3.541 2.839 409 HG3 ARG 55 HG3 ARG 55 -12.708 2.910 4.480 410 HD2 ARG 55 HD2 ARG 55 -14.963 3.106 2.487 411 HD3 ARG 55 HD3 ARG 55 -14.104 1.634 2.930 412 HE ARG 55 HE ARG 55 -15.143 2.778 5.261 413 HH11 ARG 55 HH11 ARG 55 -16.246 1.234 2.330 414 HH12 ARG 55 HH12 ARG 55 -17.713 0.639 3.038 415 HH21 ARG 55 HH21 ARG 55 -17.073 2.003 6.206 416 HH22 ARG 55 HH22 ARG 55 -18.191 1.090 5.246 417 H ASP 56 H ASP 56 -14.319 7.539 3.346 418 HA ASP 56 HA ASP 56 -13.475 9.739 4.916 419 HB2 ASP 56 HB2 ASP 56 -14.790 9.860 2.773 420 HB3 ASP 56 HB3 ASP 56 -16.192 9.341 3.692 421 H LYS 57 H LYS 57 -14.371 10.664 6.681 422 HA LYS 57 HA LYS 57 -15.299 8.999 8.733 423 HB2 LYS 57 HB2 LYS 57 -15.085 10.892 10.068 424 HB3 LYS 57 HB3 LYS 57 -13.837 11.024 8.863 425 HG2 LYS 57 HG2 LYS 57 -16.368 12.565 9.077 426 HG3 LYS 57 HG3 LYS 57 -14.727 13.164 9.165 427 HD2 LYS 57 HD2 LYS 57 -14.448 12.486 6.760 428 HD3 LYS 57 HD3 LYS 57 -16.182 12.132 6.721 429 HE2 LYS 57 HE2 LYS 57 -15.782 14.331 5.827 430 HE3 LYS 57 HE3 LYS 57 -16.636 14.471 7.359 431 HZ1 LYS 57 HZ1 LYS 57 -14.858 16.095 7.159 432 HZ2 LYS 57 HZ2 LYS 57 -13.720 14.859 6.980 433 HZ3 LYS 57 HZ3 LYS 57 -14.560 15.028 8.436 434 H VAL 58 H VAL 58 -16.986 10.473 6.266 435 HA VAL 58 HA VAL 58 -19.481 10.433 7.812 436 HB VAL 58 HB VAL 58 -18.444 12.597 5.999 437 HG11 VAL 58 HG11 VAL 58 -20.637 13.686 6.239 438 HG12 VAL 58 HG12 VAL 58 -21.267 12.212 6.975 439 HG13 VAL 58 HG13 VAL 58 -20.709 12.197 5.300 440 HG21 VAL 58 HG21 VAL 58 -17.969 12.426 8.489 441 HG22 VAL 58 HG22 VAL 58 -19.666 12.862 8.715 442 HG23 VAL 58 HG23 VAL 58 -18.574 13.962 7.870 443 H ALA 59 H ALA 59 -18.212 10.814 4.534 444 HA ALA 59 HA ALA 59 -20.591 9.843 3.341 445 HB1 ALA 59 HB1 ALA 59 -19.343 9.963 1.235 446 HB2 ALA 59 HB2 ALA 59 -17.868 10.271 2.152 447 HB3 ALA 59 HB3 ALA 59 -19.193 11.434 2.195 448 H GLY 60 H GLY 60 -18.101 8.298 4.836 449 HA2 GLY 60 HA2 GLY 60 -17.539 6.098 5.137 450 HA3 GLY 60 HA3 GLY 60 -19.186 5.765 4.637 451 H HIS 61 H HIS 61 -16.844 7.265 2.508 452 HA HIS 61 HA HIS 61 -16.778 4.745 0.970 453 HB2 HIS 61 HB2 HIS 61 -16.873 5.932 -1.072 454 HB3 HIS 61 HB3 HIS 61 -18.081 6.700 -0.057 455 HD1 HIS 61 HD1 HIS 61 -15.804 7.657 -2.476 456 HD2 HIS 61 HD2 HIS 61 -16.556 9.029 1.367 457 HE1 HIS 61 HE1 HIS 61 -14.921 10.010 -2.413 458 HE2 HIS 61 HE2 HIS 61 -15.601 10.887 -0.157 459 H SER 62 H SER 62 -14.795 4.201 -0.068 460 HA SER 62 HA SER 62 -12.485 4.866 1.366 461 HB2 SER 62 HB2 SER 62 -12.669 2.785 0.068 462 HB3 SER 62 HB3 SER 62 -12.728 3.711 -1.430 463 HG SER 62 HG SER 62 -10.626 2.856 -0.908 464 H LEU 63 H LEU 63 -10.794 6.245 0.936 465 HA LEU 63 HA LEU 63 -11.517 8.506 -0.771 466 HB2 LEU 63 HB2 LEU 63 -9.351 8.258 1.317 467 HB3 LEU 63 HB3 LEU 63 -9.772 9.724 0.452 468 HG LEU 63 HG LEU 63 -11.507 8.237 2.426 469 HD11 LEU 63 HD11 LEU 63 -11.331 10.290 3.739 470 HD12 LEU 63 HD12 LEU 63 -10.226 10.960 2.538 471 HD13 LEU 63 HD13 LEU 63 -9.757 9.541 3.476 472 HD21 LEU 63 HD21 LEU 63 -12.126 10.657 0.737 473 HD22 LEU 63 HD22 LEU 63 -13.086 10.128 2.118 474 HD23 LEU 63 HD23 LEU 63 -12.940 9.090 0.701 475 H GLY 64 H GLY 64 -10.047 5.741 -1.286 476 HA2 GLY 64 HA2 GLY 64 -9.117 5.259 -3.386 477 HA3 GLY 64 HA3 GLY 64 -8.594 6.929 -3.517 478 H TYR 65 H TYR 65 -7.864 5.291 -0.556 479 HA TYR 65 HA TYR 65 -5.424 4.125 -1.459 480 HB2 TYR 65 HB2 TYR 65 -3.818 5.571 -0.441 481 HB3 TYR 65 HB3 TYR 65 -4.837 6.563 -1.470 482 HD1 TYR 65 HD1 TYR 65 -3.411 6.164 1.720 483 HD2 TYR 65 HD2 TYR 65 -6.761 7.844 -0.284 484 HE1 TYR 65 HE1 TYR 65 -3.758 7.691 3.599 485 HE2 TYR 65 HE2 TYR 65 -7.123 9.376 1.596 486 HH TYR 65 HH TYR 65 -4.808 9.859 4.048 487 H GLY 66 H GLY 66 -4.102 3.260 0.315 488 HA2 GLY 66 HA2 GLY 66 -5.237 3.104 2.955 489 HA3 GLY 66 HA3 GLY 66 -5.432 1.626 2.030 490 H PHE 67 H PHE 67 -4.043 1.050 4.091 491 HA PHE 67 HA PHE 67 -1.212 1.179 3.262 492 HB2 PHE 67 HB2 PHE 67 -2.187 1.560 6.102 493 HB3 PHE 67 HB3 PHE 67 -0.511 1.570 5.562 494 HD1 PHE 67 HD1 PHE 67 -3.687 3.424 5.526 495 HD2 PHE 67 HD2 PHE 67 0.474 3.515 4.629 496 HE1 PHE 67 HE1 PHE 67 -3.803 5.868 5.235 497 HE2 PHE 67 HE2 PHE 67 0.364 5.956 4.338 498 HZ PHE 67 HZ PHE 67 -1.776 7.136 4.641 499 H VAL 68 H VAL 68 -0.611 -0.899 2.942 500 HA VAL 68 HA VAL 68 -1.506 -2.846 4.926 501 HB VAL 68 HB VAL 68 -2.334 -3.971 3.221 502 HG11 VAL 68 HG11 VAL 68 -0.619 -2.410 1.328 503 HG12 VAL 68 HG12 VAL 68 -2.266 -2.014 1.834 504 HG13 VAL 68 HG13 VAL 68 -1.959 -3.474 0.890 505 HG21 VAL 68 HG21 VAL 68 -0.809 -5.378 1.882 506 HG22 VAL 68 HG22 VAL 68 -0.424 -5.397 3.601 507 HG23 VAL 68 HG23 VAL 68 0.554 -4.435 2.489 508 H ASN 69 H ASN 69 -0.037 -3.123 6.351 509 HA ASN 69 HA ASN 69 2.787 -3.003 5.788 510 HB2 ASN 69 HB2 ASN 69 1.496 -2.384 7.997 511 HB3 ASN 69 HB3 ASN 69 1.601 -4.108 8.318 512 HD21 ASN 69 HD21 ASN 69 3.653 -5.052 8.609 513 HD22 ASN 69 HD22 ASN 69 5.027 -4.086 9.011 514 H TYR 70 H TYR 70 4.055 -4.721 5.331 515 HA TYR 70 HA TYR 70 2.824 -7.376 5.332 516 HB2 TYR 70 HB2 TYR 70 5.195 -6.140 3.989 517 HB3 TYR 70 HB3 TYR 70 5.169 -7.877 4.238 518 HD1 TYR 70 HD1 TYR 70 3.071 -9.124 3.385 519 HD2 TYR 70 HD2 TYR 70 4.226 -5.244 2.069 520 HE1 TYR 70 HE1 TYR 70 1.762 -9.438 1.332 521 HE2 TYR 70 HE2 TYR 70 2.908 -5.548 0.024 522 HH TYR 70 HH TYR 70 2.114 -7.589 -1.349 523 H VAL 71 H VAL 71 4.031 -9.193 6.136 524 HA VAL 71 HA VAL 71 5.256 -8.687 8.679 525 HB VAL 71 HB VAL 71 5.513 -11.104 8.840 526 HG11 VAL 71 HG11 VAL 71 2.856 -10.309 7.646 527 HG12 VAL 71 HG12 VAL 71 3.327 -10.129 9.337 528 HG13 VAL 71 HG13 VAL 71 3.150 -11.741 8.636 529 HG21 VAL 71 HG21 VAL 71 4.828 -12.588 7.017 530 HG22 VAL 71 HG22 VAL 71 6.196 -11.577 6.549 531 HG23 VAL 71 HG23 VAL 71 4.574 -11.188 5.974 532 H THR 72 H THR 72 6.254 -8.751 5.513 533 HA THR 72 HA THR 72 9.097 -8.972 6.228 534 HB THR 72 HB THR 72 9.270 -9.613 3.711 535 HG1 THR 72 HG1 THR 72 7.286 -10.953 3.229 536 HG21 THR 72 HG21 THR 72 8.183 -11.626 5.675 537 HG22 THR 72 HG22 THR 72 9.865 -11.107 5.561 538 HG23 THR 72 HG23 THR 72 9.120 -11.972 4.211 539 H ALA 73 H ALA 73 10.459 -7.462 5.214 540 HA ALA 73 HA ALA 73 9.189 -5.313 3.716 541 HB1 ALA 73 HB1 ALA 73 11.411 -4.316 3.631 542 HB2 ALA 73 HB2 ALA 73 12.107 -5.767 4.349 543 HB3 ALA 73 HB3 ALA 73 10.998 -4.765 5.284 544 H LYS 74 H LYS 74 10.644 -8.302 3.297 545 HA LYS 74 HA LYS 74 11.633 -8.172 0.666 546 HB2 LYS 74 HB2 LYS 74 12.273 -9.973 2.057 547 HB3 LYS 74 HB3 LYS 74 10.608 -10.387 2.418 548 HG2 LYS 74 HG2 LYS 74 11.138 -10.529 -0.408 549 HG3 LYS 74 HG3 LYS 74 12.235 -11.553 0.521 550 HD2 LYS 74 HD2 LYS 74 10.515 -12.822 1.403 551 HD3 LYS 74 HD3 LYS 74 9.307 -11.565 1.125 552 HE2 LYS 74 HE2 LYS 74 8.950 -13.320 -0.473 553 HE3 LYS 74 HE3 LYS 74 9.597 -11.904 -1.308 554 HZ1 LYS 74 HZ1 LYS 74 10.658 -13.944 -2.057 555 HZ2 LYS 74 HZ2 LYS 74 11.177 -14.282 -0.486 556 HZ3 LYS 74 HZ3 LYS 74 11.776 -12.930 -1.299 557 H ASP 75 H ASP 75 8.473 -9.300 1.879 558 HA ASP 75 HA ASP 75 7.429 -9.565 -0.788 559 HB2 ASP 75 HB2 ASP 75 6.099 -9.726 1.921 560 HB3 ASP 75 HB3 ASP 75 5.252 -9.983 0.402 561 H ALA 76 H ALA 76 7.733 -6.995 1.436 562 HA ALA 76 HA ALA 76 5.652 -5.305 0.542 563 HB1 ALA 76 HB1 ALA 76 6.883 -4.764 2.550 564 HB2 ALA 76 HB2 ALA 76 7.122 -3.464 1.383 565 HB3 ALA 76 HB3 ALA 76 8.395 -4.655 1.647 566 H GLU 77 H GLU 77 9.094 -5.318 -0.390 567 HA GLU 77 HA GLU 77 8.832 -3.718 -2.684 568 HB2 GLU 77 HB2 GLU 77 11.006 -4.134 -1.794 569 HB3 GLU 77 HB3 GLU 77 10.792 -5.874 -1.885 570 HG2 GLU 77 HG2 GLU 77 10.918 -5.818 -4.278 571 HG3 GLU 77 HG3 GLU 77 10.967 -4.057 -4.274 572 H ARG 78 H ARG 78 8.254 -7.124 -2.115 573 HA ARG 78 HA ARG 78 8.149 -8.020 -4.771 574 HB2 ARG 78 HB2 ARG 78 8.281 -9.422 -2.712 575 HB3 ARG 78 HB3 ARG 78 6.599 -9.037 -2.399 576 HG2 ARG 78 HG2 ARG 78 5.934 -10.173 -4.426 577 HG3 ARG 78 HG3 ARG 78 7.624 -10.505 -4.812 578 HD2 ARG 78 HD2 ARG 78 7.845 -11.816 -2.774 579 HD3 ARG 78 HD3 ARG 78 6.176 -11.460 -2.346 580 HE ARG 78 HE ARG 78 6.301 -12.688 -4.893 581 HH11 ARG 78 HH11 ARG 78 6.517 -13.345 -1.452 582 HH12 ARG 78 HH12 ARG 78 6.141 -15.036 -1.632 583 HH21 ARG 78 HH21 ARG 78 5.783 -14.911 -5.118 584 HH22 ARG 78 HH22 ARG 78 5.725 -15.922 -3.707 585 H ALA 79 H ALA 79 5.735 -6.663 -2.589 586 HA ALA 79 HA ALA 79 3.560 -6.914 -4.380 587 HB1 ALA 79 HB1 ALA 79 2.384 -5.345 -2.882 588 HB2 ALA 79 HB2 ALA 79 3.905 -5.045 -2.032 589 HB3 ALA 79 HB3 ALA 79 3.180 -6.648 -1.997 590 H ILE 80 H ILE 80 6.006 -4.448 -3.878 591 HA ILE 80 HA ILE 80 4.709 -2.483 -5.445 592 HB ILE 80 HB ILE 80 7.645 -2.725 -4.973 593 HG12 ILE 80 HG12 ILE 80 5.501 -1.349 -3.340 594 HG13 ILE 80 HG13 ILE 80 6.353 -2.815 -2.873 595 HG21 ILE 80 HG21 ILE 80 7.650 -0.336 -5.328 596 HG22 ILE 80 HG22 ILE 80 5.895 -0.336 -5.536 597 HG23 ILE 80 HG23 ILE 80 6.927 -1.146 -6.724 598 HD11 ILE 80 HD11 ILE 80 7.208 -0.839 -1.747 599 HD12 ILE 80 HD12 ILE 80 7.623 -0.139 -3.312 600 HD13 ILE 80 HD13 ILE 80 8.423 -1.612 -2.761 601 H ASN 81 H ASN 81 6.969 -5.056 -6.324 602 HA ASN 81 HA ASN 81 7.071 -3.950 -8.991 603 HB2 ASN 81 HB2 ASN 81 8.448 -5.947 -9.546 604 HB3 ASN 81 HB3 ASN 81 9.087 -4.929 -8.253 605 HD21 ASN 81 HD21 ASN 81 9.759 -5.877 -6.523 606 HD22 ASN 81 HD22 ASN 81 9.396 -7.489 -6.030 607 H THR 82 H THR 82 5.366 -6.408 -7.286 608 HA THR 82 HA THR 82 4.347 -7.572 -9.726 609 HB THR 82 HB THR 82 4.141 -8.265 -6.834 610 HG1 THR 82 HG1 THR 82 5.965 -8.862 -8.271 611 HG21 THR 82 HG21 THR 82 1.938 -8.762 -7.599 612 HG22 THR 82 HG22 THR 82 2.823 -10.289 -7.554 613 HG23 THR 82 HG23 THR 82 2.553 -9.470 -9.093 614 H LEU 83 H LEU 83 2.928 -6.071 -6.799 615 HA LEU 83 HA LEU 83 0.303 -6.142 -8.006 616 HB2 LEU 83 HB2 LEU 83 1.260 -5.318 -5.309 617 HB3 LEU 83 HB3 LEU 83 -0.413 -5.205 -5.784 618 HG LEU 83 HG LEU 83 1.246 -7.705 -5.444 619 HD11 LEU 83 HD11 LEU 83 0.528 -7.206 -3.345 620 HD12 LEU 83 HD12 LEU 83 -0.884 -8.104 -3.923 621 HD13 LEU 83 HD13 LEU 83 -0.893 -6.340 -3.915 622 HD21 LEU 83 HD21 LEU 83 -1.542 -7.418 -6.544 623 HD22 LEU 83 HD22 LEU 83 -0.843 -8.938 -5.982 624 HD23 LEU 83 HD23 LEU 83 -0.130 -8.092 -7.362 625 H ASN 84 H ASN 84 2.780 -3.775 -7.544 626 HA ASN 84 HA ASN 84 1.063 -1.515 -7.464 627 HB2 ASN 84 HB2 ASN 84 3.346 -1.417 -6.650 628 HB3 ASN 84 HB3 ASN 84 3.966 -1.786 -8.253 629 HD21 ASN 84 HD21 ASN 84 5.224 0.108 -7.966 630 HD22 ASN 84 HD22 ASN 84 4.550 1.657 -8.297 631 H GLY 85 H GLY 85 -0.262 -0.922 -8.973 632 HA2 GLY 85 HA2 GLY 85 -0.915 -0.281 -11.147 633 HA3 GLY 85 HA3 GLY 85 0.432 -1.195 -11.806 634 H LEU 86 H LEU 86 -1.607 -2.546 -9.344 635 HA LEU 86 HA LEU 86 -2.475 -4.651 -11.138 636 HB2 LEU 86 HB2 LEU 86 -1.857 -4.612 -8.487 637 HB3 LEU 86 HB3 LEU 86 -3.598 -4.465 -8.404 638 HG LEU 86 HG LEU 86 -2.993 -6.768 -8.146 639 HD11 LEU 86 HD11 LEU 86 -5.034 -6.358 -9.394 640 HD12 LEU 86 HD12 LEU 86 -4.225 -7.819 -9.958 641 HD13 LEU 86 HD13 LEU 86 -4.120 -6.334 -10.901 642 HD21 LEU 86 HD21 LEU 86 -1.830 -7.990 -9.972 643 HD22 LEU 86 HD22 LEU 86 -0.831 -6.816 -9.121 644 HD23 LEU 86 HD23 LEU 86 -1.471 -6.431 -10.717 645 H ARG 87 H ARG 87 -4.505 -4.869 -11.961 646 HA ARG 87 HA ARG 87 -6.292 -2.624 -11.722 647 HB2 ARG 87 HB2 ARG 87 -5.765 -3.939 -13.853 648 HB3 ARG 87 HB3 ARG 87 -6.803 -5.198 -13.199 649 HG2 ARG 87 HG2 ARG 87 -8.077 -3.867 -14.711 650 HG3 ARG 87 HG3 ARG 87 -8.623 -3.542 -13.065 651 HD2 ARG 87 HD2 ARG 87 -8.373 -1.504 -14.487 652 HD3 ARG 87 HD3 ARG 87 -7.446 -1.475 -12.989 653 HE ARG 87 HE ARG 87 -5.527 -2.238 -14.485 654 HH11 ARG 87 HH11 ARG 87 -8.131 -0.202 -15.640 655 HH12 ARG 87 HH12 ARG 87 -7.137 0.631 -16.789 656 HH21 ARG 87 HH21 ARG 87 -4.219 -1.143 -15.990 657 HH22 ARG 87 HH22 ARG 87 -4.913 0.093 -16.991 658 H LEU 88 H LEU 88 -6.929 -2.724 -9.587 659 HA LEU 88 HA LEU 88 -8.343 -5.064 -8.589 660 HB2 LEU 88 HB2 LEU 88 -7.074 -2.691 -7.466 661 HB3 LEU 88 HB3 LEU 88 -8.634 -3.035 -6.745 662 HG LEU 88 HG LEU 88 -6.359 -5.008 -6.914 663 HD11 LEU 88 HD11 LEU 88 -6.035 -2.968 -5.433 664 HD12 LEU 88 HD12 LEU 88 -5.904 -4.549 -4.656 665 HD13 LEU 88 HD13 LEU 88 -7.377 -3.592 -4.472 666 HD21 LEU 88 HD21 LEU 88 -7.756 -6.244 -5.273 667 HD22 LEU 88 HD22 LEU 88 -8.501 -6.101 -6.864 668 HD23 LEU 88 HD23 LEU 88 -9.046 -5.065 -5.542 669 H GLN 89 H GLN 89 -10.427 -5.273 -9.132 670 HA GLN 89 HA GLN 89 -12.579 -4.770 -9.696 671 HB2 GLN 89 HB2 GLN 89 -12.057 -2.511 -7.811 672 HB3 GLN 89 HB3 GLN 89 -13.654 -2.983 -8.371 673 HG2 GLN 89 HG2 GLN 89 -13.217 -5.247 -7.379 674 HG3 GLN 89 HG3 GLN 89 -11.768 -4.562 -6.648 675 HE21 GLN 89 HE21 GLN 89 -13.030 -1.974 -6.244 676 HE22 GLN 89 HE22 GLN 89 -14.112 -2.160 -4.910 677 H SER 90 H SER 90 -10.545 -3.777 -11.369 678 HA SER 90 HA SER 90 -10.498 -2.697 -13.366 679 HB2 SER 90 HB2 SER 90 -13.152 -1.732 -12.479 680 HB3 SER 90 HB3 SER 90 -12.466 -1.283 -14.036 681 HG SER 90 HG SER 90 -12.908 -3.944 -13.119 682 H LYS 91 H LYS 91 -9.818 -1.548 -10.593 683 HA LYS 91 HA LYS 91 -9.185 1.196 -11.513 684 HB2 LYS 91 HB2 LYS 91 -10.505 0.350 -9.195 685 HB3 LYS 91 HB3 LYS 91 -8.868 0.713 -8.676 686 HG2 LYS 91 HG2 LYS 91 -10.581 2.615 -10.208 687 HG3 LYS 91 HG3 LYS 91 -10.415 2.594 -8.456 688 HD2 LYS 91 HD2 LYS 91 -7.830 2.588 -9.154 689 HD3 LYS 91 HD3 LYS 91 -8.517 3.483 -10.516 690 HE2 LYS 91 HE2 LYS 91 -9.782 4.777 -8.733 691 HE3 LYS 91 HE3 LYS 91 -8.607 4.128 -7.602 692 HZ1 LYS 91 HZ1 LYS 91 -7.910 6.290 -8.389 693 HZ2 LYS 91 HZ2 LYS 91 -7.994 5.775 -9.996 694 HZ3 LYS 91 HZ3 LYS 91 -6.847 5.105 -8.958 695 H THR 92 H THR 92 -6.987 1.741 -11.521 696 HA THR 92 HA THR 92 -5.185 -0.475 -10.901 697 HB THR 92 HB THR 92 -4.006 1.931 -12.090 698 HG1 THR 92 HG1 THR 92 -5.697 2.090 -13.429 699 HG21 THR 92 HG21 THR 92 -3.951 -1.004 -12.792 700 HG22 THR 92 HG22 THR 92 -2.734 -0.129 -11.861 701 HG23 THR 92 HG23 THR 92 -2.974 0.241 -13.568 702 H ILE 93 H ILE 93 -3.994 -0.490 -9.168 703 HA ILE 93 HA ILE 93 -4.014 1.834 -7.409 704 HB ILE 93 HB ILE 93 -3.426 0.283 -5.660 705 HG12 ILE 93 HG12 ILE 93 -3.168 -1.718 -7.914 706 HG13 ILE 93 HG13 ILE 93 -1.875 -1.132 -6.876 707 HG21 ILE 93 HG21 ILE 93 -5.790 0.483 -6.483 708 HG22 ILE 93 HG22 ILE 93 -5.425 -1.020 -5.629 709 HG23 ILE 93 HG23 ILE 93 -5.522 -1.007 -7.392 710 HD11 ILE 93 HD11 ILE 93 -2.495 -3.328 -6.203 711 HD12 ILE 93 HD12 ILE 93 -4.191 -2.859 -6.086 712 HD13 ILE 93 HD13 ILE 93 -3.011 -2.190 -4.958 713 H LYS 94 H LYS 94 -2.015 2.224 -6.073 714 HA LYS 94 HA LYS 94 0.445 1.393 -7.432 715 HB2 LYS 94 HB2 LYS 94 -0.012 3.679 -8.212 716 HB3 LYS 94 HB3 LYS 94 -0.099 4.238 -6.547 717 HG2 LYS 94 HG2 LYS 94 2.229 3.689 -6.200 718 HG3 LYS 94 HG3 LYS 94 2.334 3.009 -7.821 719 HD2 LYS 94 HD2 LYS 94 1.429 5.829 -7.535 720 HD3 LYS 94 HD3 LYS 94 3.139 5.471 -7.309 721 HE2 LYS 94 HE2 LYS 94 2.832 6.061 -9.594 722 HE3 LYS 94 HE3 LYS 94 3.113 4.326 -9.531 723 HZ1 LYS 94 HZ1 LYS 94 1.342 4.903 -11.062 724 HZ2 LYS 94 HZ2 LYS 94 0.459 5.628 -9.819 725 HZ3 LYS 94 HZ3 LYS 94 0.745 3.960 -9.795 726 H VAL 95 H VAL 95 1.356 0.148 -5.976 727 HA VAL 95 HA VAL 95 1.148 0.808 -3.146 728 HB VAL 95 HB VAL 95 1.137 -1.364 -2.715 729 HG11 VAL 95 HG11 VAL 95 0.570 -2.905 -4.513 730 HG12 VAL 95 HG12 VAL 95 1.120 -1.719 -5.694 731 HG13 VAL 95 HG13 VAL 95 -0.281 -1.365 -4.689 732 HG21 VAL 95 HG21 VAL 95 3.503 -1.570 -4.523 733 HG22 VAL 95 HG22 VAL 95 2.817 -2.956 -3.680 734 HG23 VAL 95 HG23 VAL 95 3.472 -1.598 -2.763 735 H SER 96 H SER 96 2.904 1.149 -1.849 736 HA SER 96 HA SER 96 5.608 1.064 -2.795 737 HB2 SER 96 HB2 SER 96 4.335 3.763 -2.240 738 HB3 SER 96 HB3 SER 96 6.028 3.469 -2.643 739 HG SER 96 HG SER 96 4.490 2.336 -4.512 740 H TYR 97 H TYR 97 7.069 1.985 -1.022 741 HA TYR 97 HA TYR 97 6.213 1.082 1.545 742 HB2 TYR 97 HB2 TYR 97 8.511 2.981 1.184 743 HB3 TYR 97 HB3 TYR 97 8.335 1.663 2.334 744 HD1 TYR 97 HD1 TYR 97 8.301 -0.743 1.311 745 HD2 TYR 97 HD2 TYR 97 9.785 2.702 -0.686 746 HE1 TYR 97 HE1 TYR 97 9.635 -2.183 -0.175 747 HE2 TYR 97 HE2 TYR 97 11.115 1.297 -2.177 748 HH TYR 97 HH TYR 97 12.098 -0.993 -2.178 749 H ALA 98 H ALA 98 4.823 2.124 2.796 750 HA ALA 98 HA ALA 98 4.223 4.891 2.498 751 HB1 ALA 98 HB1 ALA 98 3.633 3.331 5.001 752 HB2 ALA 98 HB2 ALA 98 2.756 2.997 3.510 753 HB3 ALA 98 HB3 ALA 98 2.677 4.603 4.234 754 H ARG 99 H ARG 99 5.407 6.536 3.214 755 HA ARG 99 HA ARG 99 8.015 6.329 3.807 756 HB2 ARG 99 HB2 ARG 99 7.212 8.443 3.189 757 HB3 ARG 99 HB3 ARG 99 6.057 8.492 4.511 758 HG2 ARG 99 HG2 ARG 99 7.966 8.654 6.096 759 HG3 ARG 99 HG3 ARG 99 9.048 8.772 4.708 760 HD2 ARG 99 HD2 ARG 99 8.131 10.834 4.039 761 HD3 ARG 99 HD3 ARG 99 6.727 10.641 5.086 762 HE ARG 99 HE ARG 99 8.603 10.722 6.924 763 HH11 ARG 99 HH11 ARG 99 8.340 12.675 4.021 764 HH12 ARG 99 HH12 ARG 99 9.140 14.042 4.725 765 HH21 ARG 99 HH21 ARG 99 9.631 12.525 7.844 766 HH22 ARG 99 HH22 ARG 99 9.869 13.959 6.897 767 HA PRO 100 HA PRO 100 8.066 5.221 8.174 768 HB2 PRO 100 HB2 PRO 100 10.488 3.868 7.818 769 HB3 PRO 100 HB3 PRO 100 8.891 3.140 7.918 770 HG2 PRO 100 HG2 PRO 100 10.551 3.147 5.662 771 HG3 PRO 100 HG3 PRO 100 8.829 2.738 5.691 772 HD2 PRO 100 HD2 PRO 100 10.159 5.288 4.924 773 HD3 PRO 100 HD3 PRO 100 8.688 4.541 4.268 774 H SER 101 H SER 101 8.522 7.303 8.760 775 HA SER 101 HA SER 101 10.874 8.102 9.722 776 HB2 SER 101 HB2 SER 101 11.591 8.055 7.327 777 HB3 SER 101 HB3 SER 101 10.474 9.377 7.022 778 HG SER 101 HG SER 101 12.826 9.358 8.592 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 7.548 18.350 -10.136 2 H2 GLY 1 H2 GLY 1 7.756 18.027 -8.492 3 H3 GLY 1 H3 GLY 1 7.604 19.623 -9.026 4 HA2 GLY 1 HA2 GLY 1 5.335 19.204 -9.728 5 HA3 GLY 1 HA3 GLY 1 5.498 17.542 -9.182 6 H HIS 2 H HIS 2 3.476 19.122 -8.206 7 HA HIS 2 HA HIS 2 4.306 20.138 -5.613 8 HB2 HIS 2 HB2 HIS 2 1.658 20.003 -7.037 9 HB3 HIS 2 HB3 HIS 2 1.761 20.438 -5.338 10 HD1 HIS 2 HD1 HIS 2 2.532 22.783 -4.770 11 HD2 HIS 2 HD2 HIS 2 2.758 21.924 -8.827 12 HE1 HIS 2 HE1 HIS 2 2.944 24.988 -5.903 13 HE2 HIS 2 HE2 HIS 2 3.204 24.424 -8.343 14 H MET 3 H MET 3 5.147 18.098 -4.858 15 HA MET 3 HA MET 3 3.234 16.684 -3.273 16 HB2 MET 3 HB2 MET 3 3.043 15.605 -5.574 17 HB3 MET 3 HB3 MET 3 4.690 15.039 -5.349 18 HG2 MET 3 HG2 MET 3 3.212 13.270 -4.779 19 HG3 MET 3 HG3 MET 3 3.949 13.866 -3.294 20 HE1 MET 3 HE1 MET 3 1.331 11.999 -3.404 21 HE2 MET 3 HE2 MET 3 0.356 12.766 -2.151 22 HE3 MET 3 HE3 MET 3 2.089 12.552 -1.911 23 H SER 4 H SER 4 4.548 17.331 -1.603 24 HA SER 4 HA SER 4 7.340 17.284 -1.567 25 HB2 SER 4 HB2 SER 4 5.479 17.083 0.812 26 HB3 SER 4 HB3 SER 4 7.141 17.678 0.820 27 HG SER 4 HG SER 4 6.111 19.177 -0.923 28 H ASN 5 H ASN 5 5.055 14.975 -0.107 29 HA ASN 5 HA ASN 5 7.162 13.159 0.633 30 HB2 ASN 5 HB2 ASN 5 5.118 13.332 1.984 31 HB3 ASN 5 HB3 ASN 5 4.159 12.791 0.611 32 HD21 ASN 5 HD21 ASN 5 3.366 10.984 1.578 33 HD22 ASN 5 HD22 ASN 5 4.336 9.620 2.002 34 H GLY 6 H GLY 6 4.284 12.693 -1.409 35 HA2 GLY 6 HA2 GLY 6 4.069 11.631 -3.451 36 HA3 GLY 6 HA3 GLY 6 5.821 11.521 -3.536 37 H TYR 7 H TYR 7 3.573 9.541 -3.989 38 HA TYR 7 HA TYR 7 4.081 7.561 -1.931 39 HB2 TYR 7 HB2 TYR 7 2.512 7.250 -4.504 40 HB3 TYR 7 HB3 TYR 7 2.463 6.187 -3.098 41 HD1 TYR 7 HD1 TYR 7 2.185 7.901 -0.836 42 HD2 TYR 7 HD2 TYR 7 0.495 8.350 -4.717 43 HE1 TYR 7 HE1 TYR 7 0.359 9.258 0.114 44 HE2 TYR 7 HE2 TYR 7 -1.326 9.706 -3.780 45 HH TYR 7 HH TYR 7 -2.429 10.144 -1.736 46 H GLU 8 H GLU 8 4.576 7.855 -5.440 47 HA GLU 8 HA GLU 8 6.611 5.799 -5.324 48 HB2 GLU 8 HB2 GLU 8 5.500 7.484 -7.549 49 HB3 GLU 8 HB3 GLU 8 6.969 6.540 -7.767 50 HG2 GLU 8 HG2 GLU 8 5.819 4.510 -7.331 51 HG3 GLU 8 HG3 GLU 8 4.375 5.382 -6.842 52 H ASP 9 H ASP 9 8.479 6.730 -6.996 53 HA ASP 9 HA ASP 9 10.448 7.851 -7.062 54 HB2 ASP 9 HB2 ASP 9 9.029 9.856 -7.369 55 HB3 ASP 9 HB3 ASP 9 8.956 10.061 -5.624 56 H HIS 10 H HIS 10 9.261 6.420 -4.513 57 HA HIS 10 HA HIS 10 11.834 6.671 -3.198 58 HB2 HIS 10 HB2 HIS 10 10.995 6.808 -0.961 59 HB3 HIS 10 HB3 HIS 10 10.363 8.159 -1.889 60 HD1 HIS 10 HD1 HIS 10 7.935 8.591 -1.522 61 HD2 HIS 10 HD2 HIS 10 8.965 4.662 -0.638 62 HE1 HIS 10 HE1 HIS 10 5.895 7.582 -0.444 63 HE2 HIS 10 HE2 HIS 10 6.621 5.278 0.270 64 H MET 11 H MET 11 10.221 4.688 -4.837 65 HA MET 11 HA MET 11 10.243 2.459 -2.959 66 HB2 MET 11 HB2 MET 11 9.154 1.145 -4.710 67 HB3 MET 11 HB3 MET 11 8.244 2.592 -4.304 68 HG2 MET 11 HG2 MET 11 10.091 2.369 -6.661 69 HG3 MET 11 HG3 MET 11 8.355 2.072 -6.725 70 HE1 MET 11 HE1 MET 11 10.057 4.183 -8.464 71 HE2 MET 11 HE2 MET 11 8.895 5.512 -8.527 72 HE3 MET 11 HE3 MET 11 8.342 3.845 -8.696 73 H ALA 12 H ALA 12 12.287 3.963 -5.051 74 HA ALA 12 HA ALA 12 13.886 1.508 -5.373 75 HB1 ALA 12 HB1 ALA 12 13.190 2.589 -7.505 76 HB2 ALA 12 HB2 ALA 12 14.938 2.508 -7.293 77 HB3 ALA 12 HB3 ALA 12 14.089 4.028 -7.021 78 H GLU 13 H GLU 13 13.936 4.946 -4.654 79 HA GLU 13 HA GLU 13 15.876 4.565 -2.583 80 HB2 GLU 13 HB2 GLU 13 17.462 6.271 -3.481 81 HB3 GLU 13 HB3 GLU 13 17.430 4.780 -4.411 82 HG2 GLU 13 HG2 GLU 13 15.977 5.861 -6.066 83 HG3 GLU 13 HG3 GLU 13 16.062 7.360 -5.140 84 H ASP 14 H ASP 14 16.546 7.190 -2.106 85 HA ASP 14 HA ASP 14 15.823 9.189 -1.324 86 HB2 ASP 14 HB2 ASP 14 13.474 8.569 -3.083 87 HB3 ASP 14 HB3 ASP 14 13.445 9.954 -2.000 88 H CYS 15 H CYS 15 14.603 10.075 0.342 89 HA CYS 15 HA CYS 15 13.607 10.087 2.367 90 HB2 CYS 15 HB2 CYS 15 11.369 9.476 2.455 91 HB3 CYS 15 HB3 CYS 15 11.632 9.711 0.730 92 HG CYS 15 HG CYS 15 12.166 6.793 0.549 93 H ARG 16 H ARG 16 12.321 8.359 3.957 94 HA ARG 16 HA ARG 16 14.354 6.398 4.618 95 HB2 ARG 16 HB2 ARG 16 11.933 7.467 6.051 96 HB3 ARG 16 HB3 ARG 16 12.807 6.063 6.640 97 HG2 ARG 16 HG2 ARG 16 13.474 8.123 7.767 98 HG3 ARG 16 HG3 ARG 16 14.811 7.367 6.903 99 HD2 ARG 16 HD2 ARG 16 14.778 8.995 5.214 100 HD3 ARG 16 HD3 ARG 16 13.164 9.549 5.653 101 HE ARG 16 HE ARG 16 14.565 10.153 7.853 102 HH11 ARG 16 HH11 ARG 16 15.345 10.676 4.477 103 HH12 ARG 16 HH12 ARG 16 16.122 12.198 4.765 104 HH21 ARG 16 HH21 ARG 16 15.584 12.149 8.233 105 HH22 ARG 16 HH22 ARG 16 16.272 13.030 6.906 106 H GLY 17 H GLY 17 13.844 5.115 2.700 107 HA2 GLY 17 HA2 GLY 17 11.620 3.280 3.290 108 HA3 GLY 17 HA3 GLY 17 11.834 3.915 1.662 109 H ASP 18 H ASP 18 14.504 3.086 3.760 110 HA ASP 18 HA ASP 18 14.989 0.663 2.159 111 HB2 ASP 18 HB2 ASP 18 16.373 2.496 1.273 112 HB3 ASP 18 HB3 ASP 18 17.063 2.749 2.870 113 H ILE 19 H ILE 19 14.745 2.086 5.172 114 HA ILE 19 HA ILE 19 16.384 0.863 6.937 115 HB ILE 19 HB ILE 19 13.519 0.625 7.588 116 HG12 ILE 19 HG12 ILE 19 13.751 3.155 8.194 117 HG13 ILE 19 HG13 ILE 19 14.833 3.196 6.823 118 HG21 ILE 19 HG21 ILE 19 15.169 0.143 9.256 119 HG22 ILE 19 HG22 ILE 19 14.294 1.608 9.700 120 HG23 ILE 19 HG23 ILE 19 15.915 1.721 9.018 121 HD11 ILE 19 HD11 ILE 19 11.928 2.415 6.860 122 HD12 ILE 19 HD12 ILE 19 12.975 2.218 5.461 123 HD13 ILE 19 HD13 ILE 19 12.649 3.830 6.097 124 H GLY 20 H GLY 20 13.398 -0.475 5.711 125 HA2 GLY 20 HA2 GLY 20 13.781 -3.120 5.468 126 HA3 GLY 20 HA3 GLY 20 13.707 -2.928 7.216 127 H ARG 21 H ARG 21 11.915 -0.514 6.301 128 HA ARG 21 HA ARG 21 9.475 -0.748 6.805 129 HB2 ARG 21 HB2 ARG 21 8.916 0.180 4.380 130 HB3 ARG 21 HB3 ARG 21 9.772 1.125 5.589 131 HG2 ARG 21 HG2 ARG 21 10.898 1.350 3.487 132 HG3 ARG 21 HG3 ARG 21 11.910 0.408 4.577 133 HD2 ARG 21 HD2 ARG 21 11.175 -1.649 3.505 134 HD3 ARG 21 HD3 ARG 21 10.120 -0.732 2.438 135 HE ARG 21 HE ARG 21 12.519 0.333 1.887 136 HH11 ARG 21 HH11 ARG 21 11.408 -2.972 2.118 137 HH12 ARG 21 HH12 ARG 21 12.535 -3.576 0.945 138 HH21 ARG 21 HH21 ARG 21 13.966 -0.441 0.295 139 HH22 ARG 21 HH22 ARG 21 13.976 -2.128 -0.110 140 H THR 22 H THR 22 8.037 -2.295 6.897 141 HA THR 22 HA THR 22 7.626 -4.014 4.542 142 HB THR 22 HB THR 22 6.543 -5.596 6.138 143 HG1 THR 22 HG1 THR 22 5.939 -4.205 7.794 144 HG21 THR 22 HG21 THR 22 8.901 -5.900 5.587 145 HG22 THR 22 HG22 THR 22 8.600 -6.335 7.270 146 HG23 THR 22 HG23 THR 22 9.360 -4.789 6.879 147 H ASN 23 H ASN 23 6.374 -1.527 6.443 148 HA ASN 23 HA ASN 23 3.560 -1.993 6.107 149 HB2 ASN 23 HB2 ASN 23 4.822 -0.475 7.836 150 HB3 ASN 23 HB3 ASN 23 4.815 0.711 6.532 151 HD21 ASN 23 HD21 ASN 23 2.191 -0.154 5.518 152 HD22 ASN 23 HD22 ASN 23 1.034 0.441 6.653 153 H LEU 24 H LEU 24 2.631 -1.887 4.128 154 HA LEU 24 HA LEU 24 3.717 0.057 2.217 155 HB2 LEU 24 HB2 LEU 24 2.767 -2.639 1.974 156 HB3 LEU 24 HB3 LEU 24 1.804 -1.582 0.960 157 HG LEU 24 HG LEU 24 3.731 -0.867 -0.266 158 HD11 LEU 24 HD11 LEU 24 5.342 -0.722 1.541 159 HD12 LEU 24 HD12 LEU 24 5.977 -1.715 0.232 160 HD13 LEU 24 HD13 LEU 24 5.355 -2.477 1.696 161 HD21 LEU 24 HD21 LEU 24 2.731 -3.006 -0.888 162 HD22 LEU 24 HD22 LEU 24 3.868 -3.835 0.176 163 HD23 LEU 24 HD23 LEU 24 4.458 -2.954 -1.234 164 H ILE 25 H ILE 25 2.718 1.828 1.900 165 HA ILE 25 HA ILE 25 -0.075 2.149 2.626 166 HB ILE 25 HB ILE 25 1.598 3.935 3.142 167 HG12 ILE 25 HG12 ILE 25 -0.723 4.625 1.343 168 HG13 ILE 25 HG13 ILE 25 -0.732 4.446 3.097 169 HG21 ILE 25 HG21 ILE 25 2.395 5.403 1.382 170 HG22 ILE 25 HG22 ILE 25 1.629 4.380 0.166 171 HG23 ILE 25 HG23 ILE 25 2.966 3.750 1.133 172 HD11 ILE 25 HD11 ILE 25 0.702 6.402 3.302 173 HD12 ILE 25 HD12 ILE 25 -0.809 6.770 2.468 174 HD13 ILE 25 HD13 ILE 25 0.688 6.593 1.548 175 H VAL 26 H VAL 26 -1.666 1.960 1.187 176 HA VAL 26 HA VAL 26 -0.891 1.834 -1.661 177 HB VAL 26 HB VAL 26 -3.144 0.269 -0.401 178 HG11 VAL 26 HG11 VAL 26 -3.360 0.714 -2.798 179 HG12 VAL 26 HG12 VAL 26 -3.039 -0.995 -2.499 180 HG13 VAL 26 HG13 VAL 26 -1.747 0.059 -3.071 181 HG21 VAL 26 HG21 VAL 26 -1.646 -1.670 -0.569 182 HG22 VAL 26 HG22 VAL 26 -1.038 -0.455 0.557 183 HG23 VAL 26 HG23 VAL 26 -0.336 -0.595 -1.055 184 H ASN 27 H ASN 27 -1.630 3.588 -2.591 185 HA ASN 27 HA ASN 27 -4.124 4.784 -1.634 186 HB2 ASN 27 HB2 ASN 27 -1.663 5.846 -2.757 187 HB3 ASN 27 HB3 ASN 27 -3.090 6.471 -3.579 188 HD21 ASN 27 HD21 ASN 27 -1.383 6.266 -0.576 189 HD22 ASN 27 HD22 ASN 27 -2.246 7.524 0.238 190 H TYR 28 H TYR 28 -5.328 5.929 -3.466 191 HA TYR 28 HA TYR 28 -6.644 5.819 -5.301 192 HB2 TYR 28 HB2 TYR 28 -4.413 4.132 -6.441 193 HB3 TYR 28 HB3 TYR 28 -5.703 4.885 -7.365 194 HD1 TYR 28 HD1 TYR 28 -5.678 7.300 -7.774 195 HD2 TYR 28 HD2 TYR 28 -2.607 5.419 -5.521 196 HE1 TYR 28 HE1 TYR 28 -4.294 9.326 -7.973 197 HE2 TYR 28 HE2 TYR 28 -1.214 7.422 -5.709 198 HH TYR 28 HH TYR 28 -0.989 9.378 -7.184 199 H LEU 29 H LEU 29 -6.704 3.730 -3.169 200 HA LEU 29 HA LEU 29 -7.564 1.281 -4.309 201 HB2 LEU 29 HB2 LEU 29 -8.342 2.574 -1.687 202 HB3 LEU 29 HB3 LEU 29 -8.695 0.917 -2.128 203 HG LEU 29 HG LEU 29 -6.013 2.140 -1.531 204 HD11 LEU 29 HD11 LEU 29 -7.448 -0.242 -0.363 205 HD12 LEU 29 HD12 LEU 29 -7.410 1.371 0.354 206 HD13 LEU 29 HD13 LEU 29 -5.918 0.448 0.182 207 HD21 LEU 29 HD21 LEU 29 -5.100 -0.124 -2.051 208 HD22 LEU 29 HD22 LEU 29 -5.639 0.793 -3.457 209 HD23 LEU 29 HD23 LEU 29 -6.641 -0.508 -2.815 210 HA PRO 30 HA PRO 30 -11.548 2.299 -5.976 211 HB2 PRO 30 HB2 PRO 30 -12.507 -0.203 -4.706 212 HB3 PRO 30 HB3 PRO 30 -12.567 0.291 -6.394 213 HG2 PRO 30 HG2 PRO 30 -10.852 -1.578 -5.532 214 HG3 PRO 30 HG3 PRO 30 -10.431 -0.449 -6.830 215 HD2 PRO 30 HD2 PRO 30 -9.564 -0.483 -3.986 216 HD3 PRO 30 HD3 PRO 30 -8.675 0.036 -5.432 217 H GLN 31 H GLN 31 -13.437 3.248 -5.224 218 HA GLN 31 HA GLN 31 -13.326 4.092 -2.499 219 HB2 GLN 31 HB2 GLN 31 -15.382 4.641 -4.635 220 HB3 GLN 31 HB3 GLN 31 -15.291 5.462 -3.082 221 HG2 GLN 31 HG2 GLN 31 -13.149 5.483 -5.188 222 HG3 GLN 31 HG3 GLN 31 -14.311 6.777 -4.903 223 HE21 GLN 31 HE21 GLN 31 -11.446 5.188 -3.790 224 HE22 GLN 31 HE22 GLN 31 -11.027 6.345 -2.577 225 H ASN 32 H ASN 32 -14.611 1.356 -3.849 226 HA ASN 32 HA ASN 32 -16.652 1.131 -1.742 227 HB2 ASN 32 HB2 ASN 32 -17.897 -0.346 -3.195 228 HB3 ASN 32 HB3 ASN 32 -17.589 1.164 -4.038 229 HD21 ASN 32 HD21 ASN 32 -18.164 -1.572 -5.010 230 HD22 ASN 32 HD22 ASN 32 -16.868 -1.951 -6.092 231 H MET 33 H MET 33 -13.619 0.204 -2.309 232 HA MET 33 HA MET 33 -13.886 -2.658 -2.179 233 HB2 MET 33 HB2 MET 33 -12.064 -1.384 -3.375 234 HB3 MET 33 HB3 MET 33 -11.372 -1.055 -1.791 235 HG2 MET 33 HG2 MET 33 -11.029 -3.341 -1.376 236 HG3 MET 33 HG3 MET 33 -11.961 -3.807 -2.783 237 HE1 MET 33 HE1 MET 33 -8.626 -2.812 -1.336 238 HE2 MET 33 HE2 MET 33 -9.176 -1.260 -1.979 239 HE3 MET 33 HE3 MET 33 -7.761 -2.056 -2.681 240 H THR 34 H THR 34 -12.567 -3.903 -0.520 241 HA THR 34 HA THR 34 -13.159 -2.836 2.160 242 HB THR 34 HB THR 34 -13.698 -5.044 2.899 243 HG1 THR 34 HG1 THR 34 -13.471 -6.834 1.398 244 HG21 THR 34 HG21 THR 34 -15.425 -3.889 1.511 245 HG22 THR 34 HG22 THR 34 -15.556 -5.647 1.496 246 HG23 THR 34 HG23 THR 34 -14.843 -4.805 0.116 247 H GLN 35 H GLN 35 -11.773 -3.791 3.920 248 HA GLN 35 HA GLN 35 -9.033 -3.692 3.505 249 HB2 GLN 35 HB2 GLN 35 -10.497 -5.371 5.547 250 HB3 GLN 35 HB3 GLN 35 -8.773 -5.037 5.566 251 HG2 GLN 35 HG2 GLN 35 -9.723 -3.595 7.135 252 HG3 GLN 35 HG3 GLN 35 -9.372 -2.610 5.724 253 HE21 GLN 35 HE21 GLN 35 -12.106 -4.787 5.826 254 HE22 GLN 35 HE22 GLN 35 -13.320 -3.554 5.905 255 H ASP 36 H ASP 36 -11.227 -6.423 3.426 256 HA ASP 36 HA ASP 36 -9.268 -8.447 3.290 257 HB2 ASP 36 HB2 ASP 36 -11.668 -8.741 3.933 258 HB3 ASP 36 HB3 ASP 36 -12.111 -8.526 2.242 259 H GLU 37 H GLU 37 -10.803 -6.485 0.785 260 HA GLU 37 HA GLU 37 -9.764 -8.050 -1.383 261 HB2 GLU 37 HB2 GLU 37 -10.624 -5.154 -1.426 262 HB3 GLU 37 HB3 GLU 37 -10.502 -6.239 -2.801 263 HG2 GLU 37 HG2 GLU 37 -12.427 -6.600 -0.519 264 HG3 GLU 37 HG3 GLU 37 -12.831 -5.824 -2.048 265 H LEU 38 H LEU 38 -8.900 -4.989 0.174 266 HA LEU 38 HA LEU 38 -6.531 -4.425 -1.204 267 HB2 LEU 38 HB2 LEU 38 -7.755 -2.863 0.291 268 HB3 LEU 38 HB3 LEU 38 -7.320 -3.835 1.669 269 HG LEU 38 HG LEU 38 -6.037 -1.614 1.100 270 HD11 LEU 38 HD11 LEU 38 -4.160 -2.403 2.322 271 HD12 LEU 38 HD12 LEU 38 -4.533 -4.077 1.913 272 HD13 LEU 38 HD13 LEU 38 -5.614 -3.164 2.974 273 HD21 LEU 38 HD21 LEU 38 -3.997 -2.018 -0.170 274 HD22 LEU 38 HD22 LEU 38 -5.434 -2.247 -1.167 275 HD23 LEU 38 HD23 LEU 38 -4.559 -3.648 -0.548 276 H ARG 39 H ARG 39 -7.245 -6.526 1.467 277 HA ARG 39 HA ARG 39 -4.530 -7.120 2.126 278 HB2 ARG 39 HB2 ARG 39 -6.617 -7.165 3.633 279 HB3 ARG 39 HB3 ARG 39 -6.959 -8.720 2.912 280 HG2 ARG 39 HG2 ARG 39 -4.389 -8.105 4.328 281 HG3 ARG 39 HG3 ARG 39 -5.805 -8.761 5.135 282 HD2 ARG 39 HD2 ARG 39 -5.784 -10.669 3.621 283 HD3 ARG 39 HD3 ARG 39 -4.343 -10.023 2.837 284 HE ARG 39 HE ARG 39 -3.686 -10.229 5.501 285 HH11 ARG 39 HH11 ARG 39 -4.842 -12.445 3.058 286 HH12 ARG 39 HH12 ARG 39 -3.946 -13.798 3.672 287 HH21 ARG 39 HH21 ARG 39 -2.464 -12.002 6.299 288 HH22 ARG 39 HH22 ARG 39 -2.597 -13.548 5.516 289 H SER 40 H SER 40 -7.122 -8.812 0.332 290 HA SER 40 HA SER 40 -5.628 -11.204 -0.007 291 HB2 SER 40 HB2 SER 40 -8.040 -10.170 -1.504 292 HB3 SER 40 HB3 SER 40 -7.375 -11.794 -1.680 293 HG SER 40 HG SER 40 -8.871 -10.693 0.366 294 H LEU 41 H LEU 41 -6.058 -8.337 -2.033 295 HA LEU 41 HA LEU 41 -4.722 -9.319 -4.311 296 HB2 LEU 41 HB2 LEU 41 -6.200 -7.288 -4.093 297 HB3 LEU 41 HB3 LEU 41 -4.853 -6.486 -3.326 298 HG LEU 41 HG LEU 41 -5.423 -6.253 -5.914 299 HD11 LEU 41 HD11 LEU 41 -3.152 -5.456 -6.235 300 HD12 LEU 41 HD12 LEU 41 -2.650 -6.292 -4.768 301 HD13 LEU 41 HD13 LEU 41 -3.789 -4.952 -4.671 302 HD21 LEU 41 HD21 LEU 41 -5.050 -8.614 -6.420 303 HD22 LEU 41 HD22 LEU 41 -3.398 -8.489 -5.805 304 HD23 LEU 41 HD23 LEU 41 -3.876 -7.591 -7.249 305 H PHE 42 H PHE 42 -3.547 -7.733 -1.393 306 HA PHE 42 HA PHE 42 -0.839 -7.854 -2.344 307 HB2 PHE 42 HB2 PHE 42 -2.099 -7.003 0.249 308 HB3 PHE 42 HB3 PHE 42 -0.347 -7.166 0.088 309 HD1 PHE 42 HD1 PHE 42 -3.262 -5.614 -1.658 310 HD2 PHE 42 HD2 PHE 42 0.879 -5.345 -0.654 311 HE1 PHE 42 HE1 PHE 42 -3.125 -3.435 -2.776 312 HE2 PHE 42 HE2 PHE 42 0.994 -3.141 -1.770 313 HZ PHE 42 HZ PHE 42 -0.997 -2.218 -2.830 314 H SER 43 H SER 43 -3.005 -9.888 -0.641 315 HA SER 43 HA SER 43 -1.041 -11.703 0.340 316 HB2 SER 43 HB2 SER 43 -3.371 -11.616 1.213 317 HB3 SER 43 HB3 SER 43 -3.948 -12.232 -0.334 318 HG SER 43 HG SER 43 -2.038 -13.863 0.468 319 H SER 44 H SER 44 -2.142 -10.906 -2.763 320 HA SER 44 HA SER 44 -1.710 -13.447 -4.002 321 HB2 SER 44 HB2 SER 44 -2.172 -12.389 -6.032 322 HB3 SER 44 HB3 SER 44 -3.066 -11.372 -4.898 323 HG SER 44 HG SER 44 -1.662 -9.788 -5.160 324 H ILE 45 H ILE 45 0.167 -10.575 -3.326 325 HA ILE 45 HA ILE 45 2.569 -11.356 -4.606 326 HB ILE 45 HB ILE 45 1.976 -9.498 -2.314 327 HG12 ILE 45 HG12 ILE 45 1.389 -8.991 -4.750 328 HG13 ILE 45 HG13 ILE 45 2.331 -7.776 -3.888 329 HG21 ILE 45 HG21 ILE 45 4.183 -10.298 -1.819 330 HG22 ILE 45 HG22 ILE 45 4.338 -8.685 -2.526 331 HG23 ILE 45 HG23 ILE 45 4.681 -10.116 -3.500 332 HD11 ILE 45 HD11 ILE 45 3.054 -8.269 -6.214 333 HD12 ILE 45 HD12 ILE 45 3.561 -9.861 -5.649 334 HD13 ILE 45 HD13 ILE 45 4.306 -8.403 -4.981 335 H GLY 46 H GLY 46 1.320 -11.864 -1.353 336 HA2 GLY 46 HA2 GLY 46 2.574 -14.322 -0.936 337 HA3 GLY 46 HA3 GLY 46 3.622 -13.074 -0.267 338 H GLU 47 H GLU 47 3.294 -13.714 1.890 339 HA GLU 47 HA GLU 47 0.616 -13.585 2.930 340 HB2 GLU 47 HB2 GLU 47 1.775 -13.960 5.124 341 HB3 GLU 47 HB3 GLU 47 2.019 -15.220 3.903 342 HG2 GLU 47 HG2 GLU 47 3.883 -13.019 3.883 343 HG3 GLU 47 HG3 GLU 47 3.973 -14.070 5.288 344 H VAL 48 H VAL 48 -0.042 -12.155 4.502 345 HA VAL 48 HA VAL 48 1.281 -9.530 4.471 346 HB VAL 48 HB VAL 48 -1.642 -10.107 3.937 347 HG11 VAL 48 HG11 VAL 48 -1.655 -8.315 5.498 348 HG12 VAL 48 HG12 VAL 48 -1.905 -7.615 3.898 349 HG13 VAL 48 HG13 VAL 48 -0.323 -7.507 4.672 350 HG21 VAL 48 HG21 VAL 48 -1.272 -8.785 1.917 351 HG22 VAL 48 HG22 VAL 48 -0.199 -10.185 1.983 352 HG23 VAL 48 HG23 VAL 48 0.422 -8.581 2.366 353 H GLU 49 H GLU 49 1.664 -8.831 6.298 354 HA GLU 49 HA GLU 49 1.125 -10.221 8.637 355 HB2 GLU 49 HB2 GLU 49 3.065 -8.791 8.090 356 HB3 GLU 49 HB3 GLU 49 2.046 -7.391 8.387 357 HG2 GLU 49 HG2 GLU 49 2.344 -9.548 10.430 358 HG3 GLU 49 HG3 GLU 49 3.565 -8.316 10.239 359 H SER 50 H SER 50 -0.074 -7.112 7.402 360 HA SER 50 HA SER 50 -2.703 -7.582 8.428 361 HB2 SER 50 HB2 SER 50 -2.750 -5.593 9.962 362 HB3 SER 50 HB3 SER 50 -1.764 -6.930 10.551 363 HG SER 50 HG SER 50 0.063 -5.820 10.110 364 H ALA 51 H ALA 51 -4.125 -6.529 7.135 365 HA ALA 51 HA ALA 51 -3.081 -4.213 5.660 366 HB1 ALA 51 HB1 ALA 51 -4.288 -4.842 3.709 367 HB2 ALA 51 HB2 ALA 51 -5.075 -6.177 4.558 368 HB3 ALA 51 HB3 ALA 51 -3.341 -6.231 4.237 369 H LYS 52 H LYS 52 -4.093 -2.403 5.916 370 HA LYS 52 HA LYS 52 -6.755 -2.423 7.154 371 HB2 LYS 52 HB2 LYS 52 -4.907 -1.399 8.430 372 HB3 LYS 52 HB3 LYS 52 -4.602 -0.304 7.092 373 HG2 LYS 52 HG2 LYS 52 -6.995 0.491 7.413 374 HG3 LYS 52 HG3 LYS 52 -6.928 -0.358 8.964 375 HD2 LYS 52 HD2 LYS 52 -4.921 1.680 8.064 376 HD3 LYS 52 HD3 LYS 52 -6.309 2.056 9.090 377 HE2 LYS 52 HE2 LYS 52 -4.089 0.121 9.724 378 HE3 LYS 52 HE3 LYS 52 -4.271 1.736 10.403 379 HZ1 LYS 52 HZ1 LYS 52 -6.170 -0.520 10.761 380 HZ2 LYS 52 HZ2 LYS 52 -6.364 1.032 11.400 381 HZ3 LYS 52 HZ3 LYS 52 -5.088 0.056 11.925 382 H LEU 53 H LEU 53 -8.381 -1.262 6.244 383 HA LEU 53 HA LEU 53 -7.823 0.181 3.738 384 HB2 LEU 53 HB2 LEU 53 -9.180 -1.763 3.277 385 HB3 LEU 53 HB3 LEU 53 -10.273 -1.362 4.586 386 HG LEU 53 HG LEU 53 -10.400 0.886 3.011 387 HD11 LEU 53 HD11 LEU 53 -10.267 -1.539 1.208 388 HD12 LEU 53 HD12 LEU 53 -9.118 -0.192 1.245 389 HD13 LEU 53 HD13 LEU 53 -10.789 0.086 0.735 390 HD21 LEU 53 HD21 LEU 53 -12.603 -0.042 2.347 391 HD22 LEU 53 HD22 LEU 53 -12.272 -0.170 4.074 392 HD23 LEU 53 HD23 LEU 53 -12.116 -1.587 3.041 393 H ILE 54 H ILE 54 -8.587 2.243 3.618 394 HA ILE 54 HA ILE 54 -9.621 3.293 6.155 395 HB ILE 54 HB ILE 54 -8.415 4.831 3.873 396 HG12 ILE 54 HG12 ILE 54 -6.711 3.370 4.773 397 HG13 ILE 54 HG13 ILE 54 -6.391 5.009 5.322 398 HG21 ILE 54 HG21 ILE 54 -9.896 6.141 5.299 399 HG22 ILE 54 HG22 ILE 54 -8.218 6.641 5.516 400 HG23 ILE 54 HG23 ILE 54 -8.998 5.621 6.726 401 HD11 ILE 54 HD11 ILE 54 -7.284 4.473 7.505 402 HD12 ILE 54 HD12 ILE 54 -6.018 3.322 7.063 403 HD13 ILE 54 HD13 ILE 54 -7.716 2.855 6.954 404 H ARG 55 H ARG 55 -11.701 3.783 6.250 405 HA ARG 55 HA ARG 55 -13.002 4.745 3.798 406 HB2 ARG 55 HB2 ARG 55 -14.361 3.127 5.955 407 HB3 ARG 55 HB3 ARG 55 -15.077 3.702 4.457 408 HG2 ARG 55 HG2 ARG 55 -13.174 2.292 3.357 409 HG3 ARG 55 HG3 ARG 55 -13.185 1.461 4.911 410 HD2 ARG 55 HD2 ARG 55 -15.624 1.898 3.193 411 HD3 ARG 55 HD3 ARG 55 -14.657 0.420 3.195 412 HE ARG 55 HE ARG 55 -15.301 0.718 5.800 413 HH11 ARG 55 HH11 ARG 55 -17.207 0.753 2.867 414 HH12 ARG 55 HH12 ARG 55 -18.615 0.083 3.623 415 HH21 ARG 55 HH21 ARG 55 -17.148 -0.164 6.803 416 HH22 ARG 55 HH22 ARG 55 -18.583 -0.441 5.866 417 H ASP 56 H ASP 56 -14.918 6.074 4.218 418 HA ASP 56 HA ASP 56 -14.253 8.150 6.045 419 HB2 ASP 56 HB2 ASP 56 -15.424 8.444 3.823 420 HB3 ASP 56 HB3 ASP 56 -16.868 7.822 4.605 421 H LYS 57 H LYS 57 -15.092 8.675 7.886 422 HA LYS 57 HA LYS 57 -16.129 6.793 9.652 423 HB2 LYS 57 HB2 LYS 57 -16.786 9.240 10.752 424 HB3 LYS 57 HB3 LYS 57 -15.281 8.374 10.981 425 HG2 LYS 57 HG2 LYS 57 -14.883 10.692 10.391 426 HG3 LYS 57 HG3 LYS 57 -14.269 9.614 9.147 427 HD2 LYS 57 HD2 LYS 57 -16.249 10.073 7.765 428 HD3 LYS 57 HD3 LYS 57 -16.872 11.147 9.030 429 HE2 LYS 57 HE2 LYS 57 -14.255 11.522 7.572 430 HE3 LYS 57 HE3 LYS 57 -15.753 12.367 7.189 431 HZ1 LYS 57 HZ1 LYS 57 -14.326 13.727 8.557 432 HZ2 LYS 57 HZ2 LYS 57 -14.265 12.534 9.753 433 HZ3 LYS 57 HZ3 LYS 57 -15.725 13.320 9.417 434 H VAL 58 H VAL 58 -17.767 8.707 7.352 435 HA VAL 58 HA VAL 58 -20.293 8.452 8.833 436 HB VAL 58 HB VAL 58 -19.151 10.854 7.428 437 HG11 VAL 58 HG11 VAL 58 -21.956 10.452 8.444 438 HG12 VAL 58 HG12 VAL 58 -21.462 10.715 6.769 439 HG13 VAL 58 HG13 VAL 58 -21.267 12.001 7.961 440 HG21 VAL 58 HG21 VAL 58 -18.486 10.371 9.768 441 HG22 VAL 58 HG22 VAL 58 -20.181 10.554 10.232 442 HG23 VAL 58 HG23 VAL 58 -19.302 11.920 9.545 443 H ALA 59 H ALA 59 -18.895 9.291 5.696 444 HA ALA 59 HA ALA 59 -21.345 8.751 4.336 445 HB1 ALA 59 HB1 ALA 59 -19.808 10.527 3.638 446 HB2 ALA 59 HB2 ALA 59 -20.190 9.405 2.331 447 HB3 ALA 59 HB3 ALA 59 -18.638 9.296 3.160 448 H GLY 60 H GLY 60 -19.116 6.756 5.543 449 HA2 GLY 60 HA2 GLY 60 -18.770 4.509 5.390 450 HA3 GLY 60 HA3 GLY 60 -20.359 4.463 4.657 451 H HIS 61 H HIS 61 -17.374 5.893 3.331 452 HA HIS 61 HA HIS 61 -17.237 3.646 1.457 453 HB2 HIS 61 HB2 HIS 61 -16.928 5.127 -0.482 454 HB3 HIS 61 HB3 HIS 61 -18.512 5.343 0.244 455 HD1 HIS 61 HD1 HIS 61 -19.194 7.696 0.522 456 HD2 HIS 61 HD2 HIS 61 -15.053 7.307 0.395 457 HE1 HIS 61 HE1 HIS 61 -18.288 10.044 0.567 458 HE2 HIS 61 HE2 HIS 61 -15.790 9.791 0.415 459 H SER 62 H SER 62 -15.214 3.177 0.654 460 HA SER 62 HA SER 62 -13.009 3.769 2.227 461 HB2 SER 62 HB2 SER 62 -12.827 3.001 -0.681 462 HB3 SER 62 HB3 SER 62 -11.761 2.532 0.645 463 HG SER 62 HG SER 62 -13.010 0.789 0.508 464 H LEU 63 H LEU 63 -11.393 5.270 2.121 465 HA LEU 63 HA LEU 63 -12.062 7.656 0.597 466 HB2 LEU 63 HB2 LEU 63 -10.012 7.197 2.761 467 HB3 LEU 63 HB3 LEU 63 -10.347 8.749 2.010 468 HG LEU 63 HG LEU 63 -12.238 7.124 3.711 469 HD11 LEU 63 HD11 LEU 63 -10.943 9.806 4.151 470 HD12 LEU 63 HD12 LEU 63 -10.539 8.304 4.982 471 HD13 LEU 63 HD13 LEU 63 -12.125 9.042 5.214 472 HD21 LEU 63 HD21 LEU 63 -13.719 9.145 3.461 473 HD22 LEU 63 HD22 LEU 63 -13.576 8.121 2.034 474 HD23 LEU 63 HD23 LEU 63 -12.682 9.638 2.123 475 H GLY 64 H GLY 64 -10.441 5.025 -0.170 476 HA2 GLY 64 HA2 GLY 64 -9.331 4.762 -2.198 477 HA3 GLY 64 HA3 GLY 64 -9.036 6.490 -2.229 478 H TYR 65 H TYR 65 -8.176 4.689 0.624 479 HA TYR 65 HA TYR 65 -5.606 3.927 -0.330 480 HB2 TYR 65 HB2 TYR 65 -4.189 5.374 0.928 481 HB3 TYR 65 HB3 TYR 65 -5.292 6.393 0.019 482 HD1 TYR 65 HD1 TYR 65 -3.853 5.726 3.143 483 HD2 TYR 65 HD2 TYR 65 -7.382 7.248 1.325 484 HE1 TYR 65 HE1 TYR 65 -4.392 6.927 5.208 485 HE2 TYR 65 HE2 TYR 65 -7.934 8.453 3.389 486 HH TYR 65 HH TYR 65 -5.688 8.819 5.959 487 H GLY 66 H GLY 66 -4.265 2.957 1.358 488 HA2 GLY 66 HA2 GLY 66 -5.457 2.307 3.883 489 HA3 GLY 66 HA3 GLY 66 -5.520 0.975 2.740 490 H PHE 67 H PHE 67 -4.169 0.142 4.658 491 HA PHE 67 HA PHE 67 -1.329 0.600 4.072 492 HB2 PHE 67 HB2 PHE 67 -2.576 0.656 6.834 493 HB3 PHE 67 HB3 PHE 67 -0.848 0.624 6.525 494 HD1 PHE 67 HD1 PHE 67 0.307 2.589 5.720 495 HD2 PHE 67 HD2 PHE 67 -3.888 2.645 6.424 496 HE1 PHE 67 HE1 PHE 67 0.327 5.049 5.626 497 HE2 PHE 67 HE2 PHE 67 -3.877 5.102 6.330 498 HZ PHE 67 HZ PHE 67 -1.767 6.308 5.931 499 H VAL 68 H VAL 68 -0.775 -1.399 3.350 500 HA VAL 68 HA VAL 68 -1.510 -3.644 5.059 501 HB VAL 68 HB VAL 68 -2.286 -4.560 3.204 502 HG11 VAL 68 HG11 VAL 68 -0.616 -2.703 1.555 503 HG12 VAL 68 HG12 VAL 68 -2.294 -2.462 2.054 504 HG13 VAL 68 HG13 VAL 68 -1.882 -3.780 0.956 505 HG21 VAL 68 HG21 VAL 68 0.635 -4.820 2.505 506 HG22 VAL 68 HG22 VAL 68 -0.667 -5.707 1.714 507 HG23 VAL 68 HG23 VAL 68 -0.344 -5.963 3.429 508 H ASN 69 H ASN 69 -0.059 -4.106 6.415 509 HA ASN 69 HA ASN 69 2.763 -3.730 5.953 510 HB2 ASN 69 HB2 ASN 69 1.531 -3.449 8.181 511 HB3 ASN 69 HB3 ASN 69 1.459 -5.196 8.227 512 HD21 ASN 69 HD21 ASN 69 2.761 -5.595 9.888 513 HD22 ASN 69 HD22 ASN 69 4.451 -5.192 9.931 514 H TYR 70 H TYR 70 4.039 -5.244 5.054 515 HA TYR 70 HA TYR 70 3.004 -7.942 4.770 516 HB2 TYR 70 HB2 TYR 70 5.294 -6.416 3.597 517 HB3 TYR 70 HB3 TYR 70 5.369 -8.167 3.625 518 HD1 TYR 70 HD1 TYR 70 4.254 -5.345 1.808 519 HD2 TYR 70 HD2 TYR 70 3.350 -9.418 2.621 520 HE1 TYR 70 HE1 TYR 70 2.933 -5.471 -0.262 521 HE2 TYR 70 HE2 TYR 70 2.036 -9.552 0.555 522 HH TYR 70 HH TYR 70 2.232 -7.375 -1.879 523 H VAL 71 H VAL 71 4.465 -9.768 5.225 524 HA VAL 71 HA VAL 71 5.562 -9.581 7.877 525 HB VAL 71 HB VAL 71 5.956 -11.933 7.736 526 HG11 VAL 71 HG11 VAL 71 3.646 -11.395 8.039 527 HG12 VAL 71 HG12 VAL 71 3.736 -12.784 6.946 528 HG13 VAL 71 HG13 VAL 71 3.415 -11.173 6.306 529 HG21 VAL 71 HG21 VAL 71 7.030 -11.974 5.540 530 HG22 VAL 71 HG22 VAL 71 5.465 -11.732 4.766 531 HG23 VAL 71 HG23 VAL 71 5.783 -13.212 5.671 532 H THR 72 H THR 72 6.618 -9.004 4.768 533 HA THR 72 HA THR 72 9.475 -9.153 5.445 534 HB THR 72 HB THR 72 9.637 -9.701 2.884 535 HG1 THR 72 HG1 THR 72 7.828 -11.123 2.308 536 HG21 THR 72 HG21 THR 72 10.494 -11.166 4.642 537 HG22 THR 72 HG22 THR 72 9.730 -12.089 3.344 538 HG23 THR 72 HG23 THR 72 8.878 -11.836 4.872 539 H ALA 73 H ALA 73 10.723 -7.518 4.496 540 HA ALA 73 HA ALA 73 9.344 -5.356 3.149 541 HB1 ALA 73 HB1 ALA 73 11.658 -4.387 2.967 542 HB2 ALA 73 HB2 ALA 73 12.250 -5.805 3.835 543 HB3 ALA 73 HB3 ALA 73 11.114 -4.699 4.613 544 H LYS 74 H LYS 74 10.898 -8.254 2.436 545 HA LYS 74 HA LYS 74 11.699 -7.930 -0.232 546 HB2 LYS 74 HB2 LYS 74 12.427 -9.843 0.910 547 HB3 LYS 74 HB3 LYS 74 10.807 -10.252 1.439 548 HG2 LYS 74 HG2 LYS 74 10.897 -10.249 -1.410 549 HG3 LYS 74 HG3 LYS 74 12.206 -11.246 -0.767 550 HD2 LYS 74 HD2 LYS 74 10.754 -12.664 0.344 551 HD3 LYS 74 HD3 LYS 74 9.442 -11.481 0.348 552 HE2 LYS 74 HE2 LYS 74 9.318 -11.706 -2.112 553 HE3 LYS 74 HE3 LYS 74 10.507 -13.006 -2.018 554 HZ1 LYS 74 HZ1 LYS 74 8.303 -13.938 -2.094 555 HZ2 LYS 74 HZ2 LYS 74 7.801 -12.988 -0.787 556 HZ3 LYS 74 HZ3 LYS 74 8.950 -14.211 -0.555 557 H ASP 75 H ASP 75 8.617 -9.186 1.063 558 HA ASP 75 HA ASP 75 7.397 -9.202 -1.539 559 HB2 ASP 75 HB2 ASP 75 6.290 -9.634 1.237 560 HB3 ASP 75 HB3 ASP 75 5.287 -9.697 -0.208 561 H ALA 76 H ALA 76 7.824 -6.843 0.913 562 HA ALA 76 HA ALA 76 5.715 -5.082 0.255 563 HB1 ALA 76 HB1 ALA 76 8.488 -4.571 1.344 564 HB2 ALA 76 HB2 ALA 76 6.969 -4.636 2.243 565 HB3 ALA 76 HB3 ALA 76 7.286 -3.299 1.133 566 H GLU 77 H GLU 77 9.118 -5.004 -0.779 567 HA GLU 77 HA GLU 77 8.841 -3.227 -2.926 568 HB2 GLU 77 HB2 GLU 77 11.020 -3.788 -2.131 569 HB3 GLU 77 HB3 GLU 77 10.745 -5.505 -2.373 570 HG2 GLU 77 HG2 GLU 77 10.718 -5.141 -4.798 571 HG3 GLU 77 HG3 GLU 77 11.050 -3.432 -4.529 572 H ARG 78 H ARG 78 8.237 -6.684 -2.681 573 HA ARG 78 HA ARG 78 8.050 -7.204 -5.444 574 HB2 ARG 78 HB2 ARG 78 8.383 -8.912 -3.662 575 HB3 ARG 78 HB3 ARG 78 6.721 -8.655 -3.159 576 HG2 ARG 78 HG2 ARG 78 5.889 -9.523 -5.200 577 HG3 ARG 78 HG3 ARG 78 7.503 -9.577 -5.904 578 HD2 ARG 78 HD2 ARG 78 8.172 -11.264 -4.308 579 HD3 ARG 78 HD3 ARG 78 6.613 -11.157 -3.498 580 HE ARG 78 HE ARG 78 5.682 -11.943 -5.723 581 HH11 ARG 78 HH11 ARG 78 8.905 -12.807 -4.648 582 HH12 ARG 78 HH12 ARG 78 8.901 -14.332 -5.474 583 HH21 ARG 78 HH21 ARG 78 5.689 -13.927 -6.817 584 HH22 ARG 78 HH22 ARG 78 7.075 -14.967 -6.717 585 H ALA 79 H ALA 79 5.757 -6.125 -2.994 586 HA ALA 79 HA ALA 79 3.492 -6.269 -4.712 587 HB1 ALA 79 HB1 ALA 79 3.856 -4.615 -2.212 588 HB2 ALA 79 HB2 ALA 79 3.250 -6.266 -2.274 589 HB3 ALA 79 HB3 ALA 79 2.321 -4.960 -3.017 590 H ILE 80 H ILE 80 5.870 -3.800 -3.954 591 HA ILE 80 HA ILE 80 4.467 -1.706 -5.253 592 HB ILE 80 HB ILE 80 7.404 -1.869 -4.745 593 HG12 ILE 80 HG12 ILE 80 5.204 -0.739 -3.006 594 HG13 ILE 80 HG13 ILE 80 6.022 -2.270 -2.717 595 HG21 ILE 80 HG21 ILE 80 7.260 0.565 -4.753 596 HG22 ILE 80 HG22 ILE 80 5.538 0.461 -5.139 597 HG23 ILE 80 HG23 ILE 80 6.741 -0.125 -6.294 598 HD11 ILE 80 HD11 ILE 80 7.343 0.418 -2.760 599 HD12 ILE 80 HD12 ILE 80 8.106 -1.126 -2.388 600 HD13 ILE 80 HD13 ILE 80 6.870 -0.473 -1.314 601 H ASN 81 H ASN 81 6.801 -4.068 -6.414 602 HA ASN 81 HA ASN 81 6.948 -2.628 -8.919 603 HB2 ASN 81 HB2 ASN 81 8.451 -4.465 -9.642 604 HB3 ASN 81 HB3 ASN 81 8.987 -3.615 -8.194 605 HD21 ASN 81 HD21 ASN 81 10.168 -5.086 -7.206 606 HD22 ASN 81 HD22 ASN 81 9.607 -6.639 -6.694 607 H THR 82 H THR 82 5.301 -5.323 -7.559 608 HA THR 82 HA THR 82 4.323 -6.200 -10.126 609 HB THR 82 HB THR 82 4.039 -7.230 -7.335 610 HG1 THR 82 HG1 THR 82 5.961 -7.664 -8.562 611 HG21 THR 82 HG21 THR 82 2.834 -9.199 -8.363 612 HG22 THR 82 HG22 THR 82 2.575 -8.186 -9.786 613 HG23 THR 82 HG23 THR 82 1.897 -7.710 -8.224 614 H LEU 83 H LEU 83 2.805 -5.259 -7.031 615 HA LEU 83 HA LEU 83 0.199 -5.225 -8.231 616 HB2 LEU 83 HB2 LEU 83 1.180 -4.645 -5.478 617 HB3 LEU 83 HB3 LEU 83 -0.507 -4.541 -5.912 618 HG LEU 83 HG LEU 83 1.234 -7.008 -5.910 619 HD11 LEU 83 HD11 LEU 83 -0.897 -5.908 -4.160 620 HD12 LEU 83 HD12 LEU 83 0.581 -6.773 -3.740 621 HD13 LEU 83 HD13 LEU 83 -0.811 -7.656 -4.379 622 HD21 LEU 83 HD21 LEU 83 -0.208 -7.194 -7.813 623 HD22 LEU 83 HD22 LEU 83 -1.598 -6.667 -6.865 624 HD23 LEU 83 HD23 LEU 83 -0.841 -8.224 -6.524 625 H ASN 84 H ASN 84 2.570 -2.802 -7.444 626 HA ASN 84 HA ASN 84 0.786 -0.634 -7.156 627 HB2 ASN 84 HB2 ASN 84 3.103 -0.567 -6.394 628 HB3 ASN 84 HB3 ASN 84 3.671 -0.689 -8.054 629 HD21 ASN 84 HD21 ASN 84 4.862 1.207 -7.514 630 HD22 ASN 84 HD22 ASN 84 4.114 2.754 -7.606 631 H GLY 85 H GLY 85 -0.599 0.049 -8.581 632 HA2 GLY 85 HA2 GLY 85 -1.290 0.928 -10.660 633 HA3 GLY 85 HA3 GLY 85 0.074 0.140 -11.431 634 H LEU 86 H LEU 86 -1.903 -1.566 -9.142 635 HA LEU 86 HA LEU 86 -2.708 -3.455 -11.190 636 HB2 LEU 86 HB2 LEU 86 -2.145 -3.603 -8.452 637 HB3 LEU 86 HB3 LEU 86 -3.872 -3.870 -8.565 638 HG LEU 86 HG LEU 86 -2.626 -5.974 -8.553 639 HD11 LEU 86 HD11 LEU 86 -4.749 -5.910 -9.716 640 HD12 LEU 86 HD12 LEU 86 -3.626 -6.986 -10.548 641 HD13 LEU 86 HD13 LEU 86 -3.948 -5.376 -11.192 642 HD21 LEU 86 HD21 LEU 86 -1.052 -6.574 -10.177 643 HD22 LEU 86 HD22 LEU 86 -0.625 -4.918 -9.740 644 HD23 LEU 86 HD23 LEU 86 -1.502 -5.236 -11.235 645 H ARG 87 H ARG 87 -4.779 -3.792 -11.892 646 HA ARG 87 HA ARG 87 -6.723 -1.734 -11.297 647 HB2 ARG 87 HB2 ARG 87 -6.694 -4.062 -13.205 648 HB3 ARG 87 HB3 ARG 87 -8.131 -3.082 -12.948 649 HG2 ARG 87 HG2 ARG 87 -5.483 -1.959 -13.818 650 HG3 ARG 87 HG3 ARG 87 -6.757 -2.452 -14.934 651 HD2 ARG 87 HD2 ARG 87 -8.282 -0.844 -13.877 652 HD3 ARG 87 HD3 ARG 87 -6.991 -0.344 -12.788 653 HE ARG 87 HE ARG 87 -5.926 0.020 -15.256 654 HH11 ARG 87 HH11 ARG 87 -8.900 1.106 -13.743 655 HH12 ARG 87 HH12 ARG 87 -8.935 2.603 -14.617 656 HH21 ARG 87 HH21 ARG 87 -5.985 1.976 -16.408 657 HH22 ARG 87 HH22 ARG 87 -7.279 3.098 -16.133 658 H LEU 88 H LEU 88 -7.168 -2.150 -9.141 659 HA LEU 88 HA LEU 88 -8.471 -4.633 -8.406 660 HB2 LEU 88 HB2 LEU 88 -7.426 -2.270 -7.026 661 HB3 LEU 88 HB3 LEU 88 -8.930 -2.878 -6.362 662 HG LEU 88 HG LEU 88 -6.477 -4.580 -6.779 663 HD11 LEU 88 HD11 LEU 88 -6.186 -2.718 -5.127 664 HD12 LEU 88 HD12 LEU 88 -6.024 -4.342 -4.462 665 HD13 LEU 88 HD13 LEU 88 -7.509 -3.425 -4.203 666 HD21 LEU 88 HD21 LEU 88 -8.585 -5.802 -6.766 667 HD22 LEU 88 HD22 LEU 88 -9.043 -5.013 -5.257 668 HD23 LEU 88 HD23 LEU 88 -7.671 -6.123 -5.291 669 H GLN 89 H GLN 89 -10.507 -4.921 -9.089 670 HA GLN 89 HA GLN 89 -12.676 -4.494 -9.685 671 HB2 GLN 89 HB2 GLN 89 -12.384 -2.322 -7.646 672 HB3 GLN 89 HB3 GLN 89 -13.914 -2.942 -8.248 673 HG2 GLN 89 HG2 GLN 89 -13.410 -5.120 -7.282 674 HG3 GLN 89 HG3 GLN 89 -11.860 -4.510 -6.714 675 HE21 GLN 89 HE21 GLN 89 -12.978 -1.916 -6.009 676 HE22 GLN 89 HE22 GLN 89 -13.881 -2.160 -4.558 677 H SER 90 H SER 90 -10.644 -3.345 -11.180 678 HA SER 90 HA SER 90 -10.527 -2.131 -13.088 679 HB2 SER 90 HB2 SER 90 -13.205 -1.224 -12.221 680 HB3 SER 90 HB3 SER 90 -12.454 -0.601 -13.685 681 HG SER 90 HG SER 90 -12.979 -3.338 -13.090 682 H LYS 91 H LYS 91 -10.259 -1.031 -10.068 683 HA LYS 91 HA LYS 91 -9.629 1.747 -10.815 684 HB2 LYS 91 HB2 LYS 91 -10.881 0.620 -8.567 685 HB3 LYS 91 HB3 LYS 91 -9.280 1.089 -8.019 686 HG2 LYS 91 HG2 LYS 91 -11.201 2.932 -9.382 687 HG3 LYS 91 HG3 LYS 91 -10.972 2.806 -7.643 688 HD2 LYS 91 HD2 LYS 91 -8.415 3.093 -8.515 689 HD3 LYS 91 HD3 LYS 91 -9.306 4.103 -9.658 690 HE2 LYS 91 HE2 LYS 91 -10.485 4.974 -7.518 691 HE3 LYS 91 HE3 LYS 91 -9.067 4.340 -6.695 692 HZ1 LYS 91 HZ1 LYS 91 -8.823 6.686 -7.270 693 HZ2 LYS 91 HZ2 LYS 91 -9.002 6.316 -8.906 694 HZ3 LYS 91 HZ3 LYS 91 -7.667 5.734 -8.054 695 H THR 92 H THR 92 -7.509 2.442 -10.826 696 HA THR 92 HA THR 92 -5.494 0.381 -10.431 697 HB THR 92 HB THR 92 -4.520 3.021 -11.206 698 HG1 THR 92 HG1 THR 92 -6.111 3.366 -12.577 699 HG21 THR 92 HG21 THR 92 -3.141 1.018 -11.359 700 HG22 THR 92 HG22 THR 92 -3.409 1.696 -12.965 701 HG23 THR 92 HG23 THR 92 -4.316 0.277 -12.446 702 H ILE 93 H ILE 93 -4.341 0.211 -8.684 703 HA ILE 93 HA ILE 93 -4.508 2.292 -6.647 704 HB ILE 93 HB ILE 93 -3.798 0.577 -5.103 705 HG12 ILE 93 HG12 ILE 93 -3.490 -1.126 -7.584 706 HG13 ILE 93 HG13 ILE 93 -2.194 -0.574 -6.530 707 HG21 ILE 93 HG21 ILE 93 -5.722 -0.841 -5.225 708 HG22 ILE 93 HG22 ILE 93 -5.855 -0.587 -6.969 709 HG23 ILE 93 HG23 ILE 93 -6.182 0.743 -5.856 710 HD11 ILE 93 HD11 ILE 93 -4.368 -2.522 -5.858 711 HD12 ILE 93 HD12 ILE 93 -3.180 -1.904 -4.708 712 HD13 ILE 93 HD13 ILE 93 -2.654 -2.865 -6.090 713 H LYS 94 H LYS 94 -2.532 2.634 -5.272 714 HA LYS 94 HA LYS 94 -0.026 2.183 -6.736 715 HB2 LYS 94 HB2 LYS 94 -0.784 4.526 -7.135 716 HB3 LYS 94 HB3 LYS 94 -0.719 4.812 -5.402 717 HG2 LYS 94 HG2 LYS 94 1.666 4.382 -5.386 718 HG3 LYS 94 HG3 LYS 94 1.624 4.002 -7.110 719 HD2 LYS 94 HD2 LYS 94 0.927 6.671 -5.892 720 HD3 LYS 94 HD3 LYS 94 2.436 6.281 -6.716 721 HE2 LYS 94 HE2 LYS 94 -0.323 6.265 -7.941 722 HE3 LYS 94 HE3 LYS 94 0.916 7.488 -8.192 723 HZ1 LYS 94 HZ1 LYS 94 2.327 5.788 -9.202 724 HZ2 LYS 94 HZ2 LYS 94 0.859 5.953 -10.031 725 HZ3 LYS 94 HZ3 LYS 94 1.097 4.636 -8.999 726 H VAL 95 H VAL 95 1.094 0.897 -5.470 727 HA VAL 95 HA VAL 95 0.850 1.174 -2.568 728 HB VAL 95 HB VAL 95 0.828 -1.022 -2.406 729 HG11 VAL 95 HG11 VAL 95 -0.523 -0.872 -4.393 730 HG12 VAL 95 HG12 VAL 95 0.394 -2.389 -4.379 731 HG13 VAL 95 HG13 VAL 95 0.914 -1.046 -5.399 732 HG21 VAL 95 HG21 VAL 95 3.278 -1.004 -4.108 733 HG22 VAL 95 HG22 VAL 95 2.577 -2.482 -3.454 734 HG23 VAL 95 HG23 VAL 95 3.162 -1.222 -2.364 735 H SER 96 H SER 96 2.586 1.476 -1.280 736 HA SER 96 HA SER 96 5.300 1.434 -2.228 737 HB2 SER 96 HB2 SER 96 4.045 4.074 -1.406 738 HB3 SER 96 HB3 SER 96 5.742 3.811 -1.804 739 HG SER 96 HG SER 96 4.162 2.915 -3.800 740 H TYR 97 H TYR 97 6.766 2.162 -0.329 741 HA TYR 97 HA TYR 97 5.870 1.054 2.134 742 HB2 TYR 97 HB2 TYR 97 8.037 3.100 2.172 743 HB3 TYR 97 HB3 TYR 97 7.940 1.559 3.009 744 HD1 TYR 97 HD1 TYR 97 9.574 3.323 0.549 745 HD2 TYR 97 HD2 TYR 97 8.012 -0.550 1.334 746 HE1 TYR 97 HE1 TYR 97 11.109 2.407 -1.111 747 HE2 TYR 97 HE2 TYR 97 9.548 -1.514 -0.331 748 HH TYR 97 HH TYR 97 10.826 -0.755 -2.330 749 H ALA 98 H ALA 98 4.560 1.929 3.572 750 HA ALA 98 HA ALA 98 3.829 4.704 3.441 751 HB1 ALA 98 HB1 ALA 98 2.258 4.229 5.105 752 HB2 ALA 98 HB2 ALA 98 3.238 2.934 5.796 753 HB3 ALA 98 HB3 ALA 98 2.398 2.681 4.265 754 H ARG 99 H ARG 99 5.513 6.025 3.874 755 HA ARG 99 HA ARG 99 7.868 5.457 5.026 756 HB2 ARG 99 HB2 ARG 99 8.191 7.870 5.446 757 HB3 ARG 99 HB3 ARG 99 7.538 7.526 3.853 758 HG2 ARG 99 HG2 ARG 99 5.345 8.227 4.542 759 HG3 ARG 99 HG3 ARG 99 5.891 8.422 6.210 760 HD2 ARG 99 HD2 ARG 99 7.447 10.171 5.486 761 HD3 ARG 99 HD3 ARG 99 6.887 9.981 3.827 762 HE ARG 99 HE ARG 99 4.678 10.523 5.470 763 HH11 ARG 99 HH11 ARG 99 7.554 12.088 4.249 764 HH12 ARG 99 HH12 ARG 99 6.854 13.674 4.256 765 HH21 ARG 99 HH21 ARG 99 3.746 12.623 5.487 766 HH22 ARG 99 HH22 ARG 99 4.686 13.977 4.954 767 HA PRO 100 HA PRO 100 6.890 4.371 9.226 768 HB2 PRO 100 HB2 PRO 100 9.859 4.636 9.384 769 HB3 PRO 100 HB3 PRO 100 8.814 3.325 9.934 770 HG2 PRO 100 HG2 PRO 100 10.222 3.020 7.730 771 HG3 PRO 100 HG3 PRO 100 8.538 2.460 7.791 772 HD2 PRO 100 HD2 PRO 100 9.672 4.926 6.530 773 HD3 PRO 100 HD3 PRO 100 8.414 3.827 5.928 774 H SER 101 H SER 101 6.616 5.487 11.066 775 HA SER 101 HA SER 101 6.663 8.145 11.234 776 HB2 SER 101 HB2 SER 101 6.973 6.259 13.554 777 HB3 SER 101 HB3 SER 101 6.232 7.855 13.570 778 HG SER 101 HG SER 101 4.892 5.771 13.324 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 10.348 0.384 -20.019 2 H2 GLY 1 H2 GLY 1 9.738 -1.120 -19.551 3 H3 GLY 1 H3 GLY 1 10.846 -0.312 -18.563 4 HA2 GLY 1 HA2 GLY 1 8.092 0.593 -19.185 5 HA3 GLY 1 HA3 GLY 1 8.623 -0.114 -17.665 6 H HIS 2 H HIS 2 7.712 1.951 -16.838 7 HA HIS 2 HA HIS 2 9.870 3.897 -16.613 8 HB2 HIS 2 HB2 HIS 2 8.365 4.671 -18.470 9 HB3 HIS 2 HB3 HIS 2 7.049 4.753 -17.307 10 HD1 HIS 2 HD1 HIS 2 6.655 7.070 -16.559 11 HD2 HIS 2 HD2 HIS 2 10.672 6.391 -17.371 12 HE1 HIS 2 HE1 HIS 2 7.811 9.253 -16.114 13 HE2 HIS 2 HE2 HIS 2 10.258 8.765 -16.434 14 H MET 3 H MET 3 9.794 2.577 -14.577 15 HA MET 3 HA MET 3 7.615 3.228 -12.770 16 HB2 MET 3 HB2 MET 3 8.630 0.939 -12.839 17 HB3 MET 3 HB3 MET 3 10.117 1.631 -12.209 18 HG2 MET 3 HG2 MET 3 8.897 2.362 -10.201 19 HG3 MET 3 HG3 MET 3 7.443 1.590 -10.828 20 HE1 MET 3 HE1 MET 3 11.205 0.313 -10.995 21 HE2 MET 3 HE2 MET 3 11.263 -0.636 -9.511 22 HE3 MET 3 HE3 MET 3 11.037 1.110 -9.431 23 H SER 4 H SER 4 8.249 5.544 -13.052 24 HA SER 4 HA SER 4 10.541 6.398 -11.496 25 HB2 SER 4 HB2 SER 4 8.332 8.057 -12.738 26 HB3 SER 4 HB3 SER 4 9.891 8.645 -12.155 27 HG SER 4 HG SER 4 10.705 6.959 -13.767 28 H ASN 5 H ASN 5 7.212 5.746 -11.080 29 HA ASN 5 HA ASN 5 5.824 5.773 -9.293 30 HB2 ASN 5 HB2 ASN 5 7.664 4.584 -8.192 31 HB3 ASN 5 HB3 ASN 5 8.396 6.117 -7.738 32 HD21 ASN 5 HD21 ASN 5 8.301 5.718 -5.564 33 HD22 ASN 5 HD22 ASN 5 6.812 5.709 -4.684 34 H GLY 6 H GLY 6 4.901 7.734 -10.047 35 HA2 GLY 6 HA2 GLY 6 5.825 10.246 -8.950 36 HA3 GLY 6 HA3 GLY 6 4.415 10.005 -9.973 37 H TYR 7 H TYR 7 5.386 8.671 -6.842 38 HA TYR 7 HA TYR 7 2.964 9.820 -5.644 39 HB2 TYR 7 HB2 TYR 7 3.946 6.980 -5.255 40 HB3 TYR 7 HB3 TYR 7 2.610 7.722 -4.388 41 HD1 TYR 7 HD1 TYR 7 0.601 8.549 -5.797 42 HD2 TYR 7 HD2 TYR 7 3.570 5.872 -7.268 43 HE1 TYR 7 HE1 TYR 7 -0.936 7.826 -7.571 44 HE2 TYR 7 HE2 TYR 7 2.033 5.142 -9.045 45 HH TYR 7 HH TYR 7 -0.832 6.815 -9.791 46 H GLU 8 H GLU 8 3.642 11.164 -4.146 47 HA GLU 8 HA GLU 8 6.216 11.305 -3.142 48 HB2 GLU 8 HB2 GLU 8 3.724 12.311 -1.769 49 HB3 GLU 8 HB3 GLU 8 5.374 12.854 -1.479 50 HG2 GLU 8 HG2 GLU 8 4.715 14.488 -2.886 51 HG3 GLU 8 HG3 GLU 8 5.289 13.306 -4.062 52 H ASP 9 H ASP 9 7.301 10.293 -1.719 53 HA ASP 9 HA ASP 9 6.407 9.120 0.649 54 HB2 ASP 9 HB2 ASP 9 5.199 7.600 -0.906 55 HB3 ASP 9 HB3 ASP 9 6.751 7.119 -1.577 56 H HIS 10 H HIS 10 8.443 7.790 -1.825 57 HA HIS 10 HA HIS 10 10.826 8.382 -0.219 58 HB2 HIS 10 HB2 HIS 10 11.702 6.117 -0.610 59 HB3 HIS 10 HB3 HIS 10 10.191 6.059 0.276 60 HD1 HIS 10 HD1 HIS 10 8.051 5.266 -1.131 61 HD2 HIS 10 HD2 HIS 10 11.761 4.618 -2.896 62 HE1 HIS 10 HE1 HIS 10 7.620 3.697 -3.064 63 HE2 HIS 10 HE2 HIS 10 9.916 3.163 -3.971 64 H MET 11 H MET 11 9.742 9.645 -2.557 65 HA MET 11 HA MET 11 11.637 8.883 -4.661 66 HB2 MET 11 HB2 MET 11 10.234 9.971 -6.218 67 HB3 MET 11 HB3 MET 11 9.148 9.097 -5.148 68 HG2 MET 11 HG2 MET 11 9.772 12.039 -5.068 69 HG3 MET 11 HG3 MET 11 8.270 11.289 -5.606 70 HE1 MET 11 HE1 MET 11 9.008 13.580 -3.135 71 HE2 MET 11 HE2 MET 11 7.569 13.209 -2.178 72 HE3 MET 11 HE3 MET 11 7.460 13.309 -3.934 73 H ALA 12 H ALA 12 11.615 10.836 -2.101 74 HA ALA 12 HA ALA 12 12.699 13.194 -3.459 75 HB1 ALA 12 HB1 ALA 12 11.910 12.847 -0.572 76 HB2 ALA 12 HB2 ALA 12 10.898 13.550 -1.834 77 HB3 ALA 12 HB3 ALA 12 12.393 14.353 -1.351 78 H GLU 13 H GLU 13 13.452 11.267 -0.551 79 HA GLU 13 HA GLU 13 16.315 11.743 -1.071 80 HB2 GLU 13 HB2 GLU 13 16.599 12.037 1.402 81 HB3 GLU 13 HB3 GLU 13 15.676 13.326 0.637 82 HG2 GLU 13 HG2 GLU 13 13.637 12.515 1.487 83 HG3 GLU 13 HG3 GLU 13 14.355 10.975 1.949 84 H ASP 14 H ASP 14 14.506 9.442 -1.487 85 HA ASP 14 HA ASP 14 14.306 7.214 -1.156 86 HB2 ASP 14 HB2 ASP 14 16.810 7.545 0.483 87 HB3 ASP 14 HB3 ASP 14 16.052 5.995 0.143 88 H CYS 15 H CYS 15 15.094 9.034 1.738 89 HA CYS 15 HA CYS 15 13.876 9.453 3.597 90 HB2 CYS 15 HB2 CYS 15 11.871 7.715 2.205 91 HB3 CYS 15 HB3 CYS 15 11.545 8.622 3.688 92 HG CYS 15 HG CYS 15 10.320 10.022 1.644 93 H ARG 16 H ARG 16 12.525 8.065 5.345 94 HA ARG 16 HA ARG 16 14.292 5.900 6.061 95 HB2 ARG 16 HB2 ARG 16 12.004 7.235 7.504 96 HB3 ARG 16 HB3 ARG 16 12.878 5.856 8.159 97 HG2 ARG 16 HG2 ARG 16 13.823 7.780 9.135 98 HG3 ARG 16 HG3 ARG 16 14.982 7.211 7.938 99 HD2 ARG 16 HD2 ARG 16 14.915 9.538 7.641 100 HD3 ARG 16 HD3 ARG 16 13.889 8.901 6.352 101 HE ARG 16 HE ARG 16 12.315 9.466 8.615 102 HH11 ARG 16 HH11 ARG 16 14.071 11.119 6.058 103 HH12 ARG 16 HH12 ARG 16 13.072 12.535 6.125 104 HH21 ARG 16 HH21 ARG 16 11.001 11.317 8.684 105 HH22 ARG 16 HH22 ARG 16 11.322 12.644 7.613 106 H GLY 17 H GLY 17 13.345 5.005 3.932 107 HA2 GLY 17 HA2 GLY 17 11.219 3.116 4.688 108 HA3 GLY 17 HA3 GLY 17 11.168 3.954 3.140 109 H ASP 18 H ASP 18 14.101 2.787 4.671 110 HA ASP 18 HA ASP 18 14.193 0.418 2.967 111 HB2 ASP 18 HB2 ASP 18 16.171 2.685 2.800 112 HB3 ASP 18 HB3 ASP 18 16.649 1.038 2.415 113 H ILE 19 H ILE 19 13.863 0.927 5.743 114 HA ILE 19 HA ILE 19 16.380 0.049 6.944 115 HB ILE 19 HB ILE 19 14.316 0.488 8.875 116 HG12 ILE 19 HG12 ILE 19 14.710 3.143 8.011 117 HG13 ILE 19 HG13 ILE 19 14.176 2.237 6.605 118 HG21 ILE 19 HG21 ILE 19 15.928 2.095 9.753 119 HG22 ILE 19 HG22 ILE 19 16.849 1.981 8.255 120 HG23 ILE 19 HG23 ILE 19 16.701 0.576 9.308 121 HD11 ILE 19 HD11 ILE 19 12.216 1.474 7.807 122 HD12 ILE 19 HD12 ILE 19 12.305 3.235 7.795 123 HD13 ILE 19 HD13 ILE 19 12.751 2.339 9.246 124 H GLY 20 H GLY 20 12.998 -0.433 7.734 125 HA2 GLY 20 HA2 GLY 20 13.102 -3.284 7.198 126 HA3 GLY 20 HA3 GLY 20 12.899 -2.844 8.895 127 H ARG 21 H ARG 21 11.687 -1.369 5.947 128 HA ARG 21 HA ARG 21 9.157 -0.907 7.208 129 HB2 ARG 21 HB2 ARG 21 8.713 -0.033 4.718 130 HB3 ARG 21 HB3 ARG 21 9.523 0.916 5.955 131 HG2 ARG 21 HG2 ARG 21 10.748 1.082 3.915 132 HG3 ARG 21 HG3 ARG 21 11.687 0.148 5.077 133 HD2 ARG 21 HD2 ARG 21 11.154 -1.898 3.969 134 HD3 ARG 21 HD3 ARG 21 9.962 -1.102 2.946 135 HE ARG 21 HE ARG 21 12.323 0.169 2.387 136 HH11 ARG 21 HH11 ARG 21 11.176 -3.130 2.277 137 HH12 ARG 21 HH12 ARG 21 12.215 -3.592 0.973 138 HH21 ARG 21 HH21 ARG 21 13.684 -0.412 0.643 139 HH22 ARG 21 HH22 ARG 21 13.636 -2.040 0.034 140 H THR 22 H THR 22 7.811 -2.541 7.415 141 HA THR 22 HA THR 22 7.275 -4.226 5.063 142 HB THR 22 HB THR 22 6.141 -5.740 6.692 143 HG1 THR 22 HG1 THR 22 5.567 -4.354 8.339 144 HG21 THR 22 HG21 THR 22 8.495 -6.117 6.140 145 HG22 THR 22 HG22 THR 22 8.173 -6.531 7.824 146 HG23 THR 22 HG23 THR 22 8.980 -5.012 7.429 147 H ASN 23 H ASN 23 6.093 -1.693 6.963 148 HA ASN 23 HA ASN 23 3.265 -2.116 6.559 149 HB2 ASN 23 HB2 ASN 23 4.370 -0.814 8.476 150 HB3 ASN 23 HB3 ASN 23 4.678 0.458 7.289 151 HD21 ASN 23 HD21 ASN 23 3.388 1.773 8.707 152 HD22 ASN 23 HD22 ASN 23 1.665 1.732 8.568 153 H LEU 24 H LEU 24 2.144 -1.502 4.800 154 HA LEU 24 HA LEU 24 3.427 0.392 2.946 155 HB2 LEU 24 HB2 LEU 24 2.778 -2.301 2.517 156 HB3 LEU 24 HB3 LEU 24 1.541 -1.389 1.678 157 HG LEU 24 HG LEU 24 3.216 -0.254 0.347 158 HD11 LEU 24 HD11 LEU 24 5.037 -0.039 1.868 159 HD12 LEU 24 HD12 LEU 24 5.590 -1.017 0.510 160 HD13 LEU 24 HD13 LEU 24 5.172 -1.787 2.040 161 HD21 LEU 24 HD21 LEU 24 3.989 -2.118 -0.935 162 HD22 LEU 24 HD22 LEU 24 2.367 -2.462 -0.333 163 HD23 LEU 24 HD23 LEU 24 3.770 -3.199 0.439 164 H ILE 25 H ILE 25 2.374 2.207 2.961 165 HA ILE 25 HA ILE 25 -0.455 2.353 3.516 166 HB ILE 25 HB ILE 25 1.141 4.129 4.268 167 HG12 ILE 25 HG12 ILE 25 -1.177 4.865 2.493 168 HG13 ILE 25 HG13 ILE 25 -1.171 4.604 4.236 169 HG21 ILE 25 HG21 ILE 25 1.239 4.869 1.351 170 HG22 ILE 25 HG22 ILE 25 2.568 4.187 2.291 171 HG23 ILE 25 HG23 ILE 25 1.938 5.789 2.687 172 HD11 ILE 25 HD11 ILE 25 0.119 6.608 4.567 173 HD12 ILE 25 HD12 ILE 25 -1.341 6.965 3.642 174 HD13 ILE 25 HD13 ILE 25 0.220 6.861 2.825 175 H VAL 26 H VAL 26 -2.003 2.298 2.006 176 HA VAL 26 HA VAL 26 -1.129 2.520 -0.808 177 HB VAL 26 HB VAL 26 -3.451 0.850 0.154 178 HG11 VAL 26 HG11 VAL 26 -1.923 0.935 -2.448 179 HG12 VAL 26 HG12 VAL 26 -3.536 1.589 -2.179 180 HG13 VAL 26 HG13 VAL 26 -3.260 -0.151 -2.074 181 HG21 VAL 26 HG21 VAL 26 -0.636 -0.002 -0.501 182 HG22 VAL 26 HG22 VAL 26 -1.987 -1.080 -0.144 183 HG23 VAL 26 HG23 VAL 26 -1.368 0.001 1.105 184 H ASN 27 H ASN 27 -1.776 4.388 -1.509 185 HA ASN 27 HA ASN 27 -4.205 5.643 -0.486 186 HB2 ASN 27 HB2 ASN 27 -1.731 6.654 -1.186 187 HB3 ASN 27 HB3 ASN 27 -2.722 7.067 -2.575 188 HD21 ASN 27 HD21 ASN 27 -1.909 7.793 0.615 189 HD22 ASN 27 HD22 ASN 27 -3.044 9.065 0.891 190 H TYR 28 H TYR 28 -5.437 6.886 -2.212 191 HA TYR 28 HA TYR 28 -6.795 6.922 -4.013 192 HB2 TYR 28 HB2 TYR 28 -4.458 5.565 -5.355 193 HB3 TYR 28 HB3 TYR 28 -5.799 6.346 -6.184 194 HD1 TYR 28 HD1 TYR 28 -2.579 6.772 -4.755 195 HD2 TYR 28 HD2 TYR 28 -6.130 8.881 -5.734 196 HE1 TYR 28 HE1 TYR 28 -1.328 8.881 -4.639 197 HE2 TYR 28 HE2 TYR 28 -4.897 11.008 -5.639 198 HH TYR 28 HH TYR 28 -1.501 11.171 -5.548 199 H LEU 29 H LEU 29 -6.885 4.594 -2.222 200 HA LEU 29 HA LEU 29 -7.570 2.268 -3.694 201 HB2 LEU 29 HB2 LEU 29 -8.583 3.246 -1.014 202 HB3 LEU 29 HB3 LEU 29 -8.874 1.647 -1.669 203 HG LEU 29 HG LEU 29 -6.262 2.813 -0.741 204 HD11 LEU 29 HD11 LEU 29 -6.266 0.946 0.781 205 HD12 LEU 29 HD12 LEU 29 -7.745 0.314 0.057 206 HD13 LEU 29 HD13 LEU 29 -7.779 1.839 0.948 207 HD21 LEU 29 HD21 LEU 29 -5.259 0.658 -1.449 208 HD22 LEU 29 HD22 LEU 29 -5.773 1.678 -2.791 209 HD23 LEU 29 HD23 LEU 29 -6.753 0.294 -2.313 210 HA PRO 30 HA PRO 30 -11.469 3.420 -5.521 211 HB2 PRO 30 HB2 PRO 30 -12.384 0.716 -4.731 212 HB3 PRO 30 HB3 PRO 30 -12.343 1.462 -6.322 213 HG2 PRO 30 HG2 PRO 30 -10.605 -0.457 -5.601 214 HG3 PRO 30 HG3 PRO 30 -10.160 0.854 -6.706 215 HD2 PRO 30 HD2 PRO 30 -9.453 0.458 -3.846 216 HD3 PRO 30 HD3 PRO 30 -8.518 1.226 -5.144 217 H GLN 31 H GLN 31 -13.353 4.247 -4.691 218 HA GLN 31 HA GLN 31 -13.355 4.663 -1.893 219 HB2 GLN 31 HB2 GLN 31 -15.385 5.403 -3.989 220 HB3 GLN 31 HB3 GLN 31 -15.395 5.994 -2.334 221 HG2 GLN 31 HG2 GLN 31 -13.172 6.422 -4.309 222 HG3 GLN 31 HG3 GLN 31 -14.422 7.601 -3.919 223 HE21 GLN 31 HE21 GLN 31 -11.539 6.012 -2.855 224 HE22 GLN 31 HE22 GLN 31 -11.244 7.025 -1.487 225 H ASN 32 H ASN 32 -14.759 2.207 -3.770 226 HA ASN 32 HA ASN 32 -16.644 1.553 -1.606 227 HB2 ASN 32 HB2 ASN 32 -17.964 0.356 -3.242 228 HB3 ASN 32 HB3 ASN 32 -17.677 1.991 -3.827 229 HD21 ASN 32 HD21 ASN 32 -17.159 -1.368 -4.350 230 HD22 ASN 32 HD22 ASN 32 -16.356 -1.225 -5.878 231 H MET 33 H MET 33 -13.636 0.814 -2.334 232 HA MET 33 HA MET 33 -13.794 -2.048 -2.612 233 HB2 MET 33 HB2 MET 33 -11.880 -0.206 -3.195 234 HB3 MET 33 HB3 MET 33 -11.260 -0.878 -1.694 235 HG2 MET 33 HG2 MET 33 -11.404 -3.115 -2.639 236 HG3 MET 33 HG3 MET 33 -12.020 -2.448 -4.139 237 HE1 MET 33 HE1 MET 33 -9.360 -0.710 -1.950 238 HE2 MET 33 HE2 MET 33 -7.834 -1.272 -2.633 239 HE3 MET 33 HE3 MET 33 -8.841 -2.381 -1.694 240 H THR 34 H THR 34 -12.569 -3.478 -1.047 241 HA THR 34 HA THR 34 -13.371 -2.774 1.700 242 HB THR 34 HB THR 34 -13.837 -5.103 2.101 243 HG1 THR 34 HG1 THR 34 -13.567 -6.531 0.119 244 HG21 THR 34 HG21 THR 34 -14.906 -4.418 -0.639 245 HG22 THR 34 HG22 THR 34 -15.576 -3.814 0.881 246 HG23 THR 34 HG23 THR 34 -15.621 -5.541 0.521 247 H GLN 35 H GLN 35 -12.075 -3.925 3.436 248 HA GLN 35 HA GLN 35 -9.310 -3.791 3.199 249 HB2 GLN 35 HB2 GLN 35 -10.851 -5.761 4.897 250 HB3 GLN 35 HB3 GLN 35 -9.143 -5.397 5.061 251 HG2 GLN 35 HG2 GLN 35 -10.185 -4.223 6.767 252 HG3 GLN 35 HG3 GLN 35 -9.842 -3.026 5.530 253 HE21 GLN 35 HE21 GLN 35 -12.453 -5.335 5.254 254 HE22 GLN 35 HE22 GLN 35 -13.738 -4.192 5.450 255 H ASP 36 H ASP 36 -11.492 -6.500 2.693 256 HA ASP 36 HA ASP 36 -9.590 -8.508 2.288 257 HB2 ASP 36 HB2 ASP 36 -11.945 -8.973 2.701 258 HB3 ASP 36 HB3 ASP 36 -12.397 -8.203 1.188 259 H GLU 37 H GLU 37 -10.998 -6.206 -0.011 260 HA GLU 37 HA GLU 37 -9.759 -7.336 -2.318 261 HB2 GLU 37 HB2 GLU 37 -10.668 -4.504 -1.800 262 HB3 GLU 37 HB3 GLU 37 -10.284 -5.171 -3.377 263 HG2 GLU 37 HG2 GLU 37 -12.465 -6.273 -1.640 264 HG3 GLU 37 HG3 GLU 37 -12.737 -4.966 -2.787 265 H LEU 38 H LEU 38 -9.011 -4.537 -0.280 266 HA LEU 38 HA LEU 38 -6.584 -3.804 -1.458 267 HB2 LEU 38 HB2 LEU 38 -7.896 -2.378 0.050 268 HB3 LEU 38 HB3 LEU 38 -7.615 -3.473 1.378 269 HG LEU 38 HG LEU 38 -6.277 -1.237 1.185 270 HD11 LEU 38 HD11 LEU 38 -4.828 -3.788 1.809 271 HD12 LEU 38 HD12 LEU 38 -5.987 -3.000 2.887 272 HD13 LEU 38 HD13 LEU 38 -4.489 -2.177 2.442 273 HD21 LEU 38 HD21 LEU 38 -4.149 -1.484 0.032 274 HD22 LEU 38 HD22 LEU 38 -5.506 -1.598 -1.091 275 HD23 LEU 38 HD23 LEU 38 -4.662 -3.059 -0.576 276 H ARG 39 H ARG 39 -7.422 -6.219 0.863 277 HA ARG 39 HA ARG 39 -4.743 -6.831 1.680 278 HB2 ARG 39 HB2 ARG 39 -6.925 -7.064 3.022 279 HB3 ARG 39 HB3 ARG 39 -7.211 -8.514 2.095 280 HG2 ARG 39 HG2 ARG 39 -4.754 -8.101 3.759 281 HG3 ARG 39 HG3 ARG 39 -6.230 -8.834 4.373 282 HD2 ARG 39 HD2 ARG 39 -6.083 -10.553 2.634 283 HD3 ARG 39 HD3 ARG 39 -4.574 -9.833 2.072 284 HE ARG 39 HE ARG 39 -4.199 -10.357 4.751 285 HH11 ARG 39 HH11 ARG 39 -4.977 -12.247 1.909 286 HH12 ARG 39 HH12 ARG 39 -4.148 -13.663 2.474 287 HH21 ARG 39 HH21 ARG 39 -3.105 -12.224 5.490 288 HH22 ARG 39 HH22 ARG 39 -3.098 -13.655 4.506 289 H SER 40 H SER 40 -7.181 -8.339 -0.472 290 HA SER 40 HA SER 40 -5.625 -10.677 -0.940 291 HB2 SER 40 HB2 SER 40 -8.082 -10.620 -1.222 292 HB3 SER 40 HB3 SER 40 -7.882 -9.551 -2.609 293 HG SER 40 HG SER 40 -7.916 -11.450 -3.583 294 H LEU 41 H LEU 41 -6.036 -7.643 -2.690 295 HA LEU 41 HA LEU 41 -4.536 -8.294 -4.971 296 HB2 LEU 41 HB2 LEU 41 -6.083 -6.343 -4.578 297 HB3 LEU 41 HB3 LEU 41 -4.807 -5.617 -3.634 298 HG LEU 41 HG LEU 41 -5.238 -5.034 -6.182 299 HD11 LEU 41 HD11 LEU 41 -2.520 -5.218 -4.921 300 HD12 LEU 41 HD12 LEU 41 -3.678 -3.911 -4.693 301 HD13 LEU 41 HD13 LEU 41 -2.961 -4.187 -6.281 302 HD21 LEU 41 HD21 LEU 41 -3.188 -7.248 -6.292 303 HD22 LEU 41 HD22 LEU 41 -3.622 -6.166 -7.621 304 HD23 LEU 41 HD23 LEU 41 -4.811 -7.304 -6.988 305 H PHE 42 H PHE 42 -3.557 -7.079 -1.814 306 HA PHE 42 HA PHE 42 -0.808 -6.995 -2.641 307 HB2 PHE 42 HB2 PHE 42 -2.215 -6.485 -0.043 308 HB3 PHE 42 HB3 PHE 42 -0.453 -6.601 -0.120 309 HD1 PHE 42 HD1 PHE 42 -3.318 -4.896 -1.772 310 HD2 PHE 42 HD2 PHE 42 0.786 -4.723 -0.639 311 HE1 PHE 42 HE1 PHE 42 -3.182 -2.599 -2.617 312 HE2 PHE 42 HE2 PHE 42 0.908 -2.415 -1.483 313 HZ PHE 42 HZ PHE 42 -1.066 -1.368 -2.471 314 H SER 43 H SER 43 -2.958 -9.278 -1.252 315 HA SER 43 HA SER 43 -0.981 -11.110 -0.351 316 HB2 SER 43 HB2 SER 43 -3.384 -11.182 0.338 317 HB3 SER 43 HB3 SER 43 -3.797 -11.712 -1.290 318 HG SER 43 HG SER 43 -1.909 -13.332 -0.524 319 H SER 44 H SER 44 -2.064 -10.100 -3.425 320 HA SER 44 HA SER 44 -1.434 -12.420 -4.919 321 HB2 SER 44 HB2 SER 44 -1.777 -11.108 -6.824 322 HB3 SER 44 HB3 SER 44 -2.759 -10.258 -5.627 323 HG SER 44 HG SER 44 -1.387 -8.632 -5.614 324 H ILE 45 H ILE 45 0.344 -9.553 -3.951 325 HA ILE 45 HA ILE 45 2.826 -10.174 -5.116 326 HB ILE 45 HB ILE 45 2.070 -8.556 -2.692 327 HG12 ILE 45 HG12 ILE 45 1.560 -7.854 -5.104 328 HG13 ILE 45 HG13 ILE 45 2.400 -6.689 -4.081 329 HG21 ILE 45 HG21 ILE 45 4.388 -7.672 -2.679 330 HG22 ILE 45 HG22 ILE 45 4.835 -8.916 -3.846 331 HG23 ILE 45 HG23 ILE 45 4.297 -9.379 -2.235 332 HD11 ILE 45 HD11 ILE 45 3.882 -8.544 -5.889 333 HD12 ILE 45 HD12 ILE 45 4.415 -7.024 -5.160 334 HD13 ILE 45 HD13 ILE 45 3.214 -7.015 -6.454 335 H GLY 46 H GLY 46 1.452 -10.999 -1.969 336 HA2 GLY 46 HA2 GLY 46 2.855 -13.380 -1.649 337 HA3 GLY 46 HA3 GLY 46 3.810 -12.115 -0.886 338 H GLU 47 H GLU 47 3.541 -12.633 1.237 339 HA GLU 47 HA GLU 47 0.817 -13.076 2.171 340 HB2 GLU 47 HB2 GLU 47 3.500 -13.775 3.233 341 HB3 GLU 47 HB3 GLU 47 2.202 -13.510 4.392 342 HG2 GLU 47 HG2 GLU 47 0.870 -15.215 3.395 343 HG3 GLU 47 HG3 GLU 47 2.009 -15.392 2.066 344 H VAL 48 H VAL 48 -0.294 -11.620 2.983 345 HA VAL 48 HA VAL 48 0.909 -9.123 3.918 346 HB VAL 48 HB VAL 48 -1.947 -9.857 3.274 347 HG11 VAL 48 HG11 VAL 48 -2.272 -7.337 3.472 348 HG12 VAL 48 HG12 VAL 48 -0.764 -7.340 4.392 349 HG13 VAL 48 HG13 VAL 48 -2.154 -8.263 4.967 350 HG21 VAL 48 HG21 VAL 48 -0.470 -9.655 1.345 351 HG22 VAL 48 HG22 VAL 48 -0.008 -8.034 1.872 352 HG23 VAL 48 HG23 VAL 48 -1.672 -8.363 1.385 353 H GLU 49 H GLU 49 1.258 -8.805 5.861 354 HA GLU 49 HA GLU 49 0.618 -10.573 7.912 355 HB2 GLU 49 HB2 GLU 49 2.579 -9.076 7.694 356 HB3 GLU 49 HB3 GLU 49 1.532 -7.746 8.170 357 HG2 GLU 49 HG2 GLU 49 1.737 -10.205 9.839 358 HG3 GLU 49 HG3 GLU 49 2.969 -8.975 9.913 359 H SER 50 H SER 50 -0.475 -7.280 7.163 360 HA SER 50 HA SER 50 -3.149 -7.861 8.038 361 HB2 SER 50 HB2 SER 50 -1.455 -5.976 9.593 362 HB3 SER 50 HB3 SER 50 -3.205 -5.927 9.655 363 HG SER 50 HG SER 50 -1.776 -8.312 10.167 364 H ALA 51 H ALA 51 -4.539 -6.733 6.773 365 HA ALA 51 HA ALA 51 -3.488 -4.287 5.533 366 HB1 ALA 51 HB1 ALA 51 -5.404 -6.192 4.206 367 HB2 ALA 51 HB2 ALA 51 -3.665 -6.139 3.914 368 HB3 ALA 51 HB3 ALA 51 -4.663 -4.745 3.511 369 H LYS 52 H LYS 52 -4.482 -2.558 6.088 370 HA LYS 52 HA LYS 52 -7.155 -2.742 7.270 371 HB2 LYS 52 HB2 LYS 52 -5.366 -1.898 8.699 372 HB3 LYS 52 HB3 LYS 52 -4.961 -0.682 7.502 373 HG2 LYS 52 HG2 LYS 52 -7.310 0.206 7.829 374 HG3 LYS 52 HG3 LYS 52 -7.372 -0.829 9.263 375 HD2 LYS 52 HD2 LYS 52 -5.249 1.224 8.705 376 HD3 LYS 52 HD3 LYS 52 -6.638 1.483 9.766 377 HE2 LYS 52 HE2 LYS 52 -5.859 -0.432 11.134 378 HE3 LYS 52 HE3 LYS 52 -4.429 -0.534 10.107 379 HZ1 LYS 52 HZ1 LYS 52 -5.199 1.807 11.764 380 HZ2 LYS 52 HZ2 LYS 52 -3.826 1.699 10.784 381 HZ3 LYS 52 HZ3 LYS 52 -3.979 0.696 12.136 382 H LEU 53 H LEU 53 -8.827 -1.768 6.298 383 HA LEU 53 HA LEU 53 -8.287 0.149 4.141 384 HB2 LEU 53 HB2 LEU 53 -9.617 -1.725 3.403 385 HB3 LEU 53 HB3 LEU 53 -10.713 -1.541 4.755 386 HG LEU 53 HG LEU 53 -10.947 0.896 3.593 387 HD11 LEU 53 HD11 LEU 53 -9.534 0.359 1.719 388 HD12 LEU 53 HD12 LEU 53 -11.210 0.487 1.170 389 HD13 LEU 53 HD13 LEU 53 -10.468 -1.106 1.386 390 HD21 LEU 53 HD21 LEU 53 -13.048 0.017 2.640 391 HD22 LEU 53 HD22 LEU 53 -12.781 -0.514 4.302 392 HD23 LEU 53 HD23 LEU 53 -12.485 -1.623 2.963 393 H ILE 54 H ILE 54 -8.902 2.214 4.417 394 HA ILE 54 HA ILE 54 -9.987 2.890 7.049 395 HB ILE 54 HB ILE 54 -8.816 4.719 4.971 396 HG12 ILE 54 HG12 ILE 54 -7.119 3.135 5.681 397 HG13 ILE 54 HG13 ILE 54 -6.770 4.707 6.383 398 HG21 ILE 54 HG21 ILE 54 -9.362 5.149 7.906 399 HG22 ILE 54 HG22 ILE 54 -10.282 5.835 6.568 400 HG23 ILE 54 HG23 ILE 54 -8.603 6.313 6.820 401 HD11 ILE 54 HD11 ILE 54 -6.388 2.858 7.947 402 HD12 ILE 54 HD12 ILE 54 -8.090 2.415 7.821 403 HD13 ILE 54 HD13 ILE 54 -7.633 3.969 8.520 404 H ARG 55 H ARG 55 -12.062 3.404 7.250 405 HA ARG 55 HA ARG 55 -13.368 4.714 4.970 406 HB2 ARG 55 HB2 ARG 55 -14.784 2.802 6.821 407 HB3 ARG 55 HB3 ARG 55 -15.404 3.542 5.352 408 HG2 ARG 55 HG2 ARG 55 -13.598 2.290 4.112 409 HG3 ARG 55 HG3 ARG 55 -13.336 1.391 5.603 410 HD2 ARG 55 HD2 ARG 55 -16.008 1.618 4.223 411 HD3 ARG 55 HD3 ARG 55 -14.871 0.286 3.966 412 HE ARG 55 HE ARG 55 -15.255 0.465 6.705 413 HH11 ARG 55 HH11 ARG 55 -17.220 -0.154 3.880 414 HH12 ARG 55 HH12 ARG 55 -18.317 -1.209 4.709 415 HH21 ARG 55 HH21 ARG 55 -16.688 -0.934 7.805 416 HH22 ARG 55 HH22 ARG 55 -18.009 -1.658 6.946 417 H ASP 56 H ASP 56 -15.440 5.844 5.697 418 HA ASP 56 HA ASP 56 -14.695 7.801 7.549 419 HB2 ASP 56 HB2 ASP 56 -16.681 8.864 6.984 420 HB3 ASP 56 HB3 ASP 56 -16.282 7.966 5.550 421 H LYS 57 H LYS 57 -16.427 8.524 9.193 422 HA LYS 57 HA LYS 57 -15.928 6.763 11.351 423 HB2 LYS 57 HB2 LYS 57 -17.501 8.711 12.427 424 HB3 LYS 57 HB3 LYS 57 -15.762 8.796 12.255 425 HG2 LYS 57 HG2 LYS 57 -16.742 10.840 11.478 426 HG3 LYS 57 HG3 LYS 57 -16.057 9.974 10.108 427 HD2 LYS 57 HD2 LYS 57 -18.320 9.156 9.536 428 HD3 LYS 57 HD3 LYS 57 -18.973 10.096 10.880 429 HE2 LYS 57 HE2 LYS 57 -18.176 12.155 9.849 430 HE3 LYS 57 HE3 LYS 57 -17.472 11.231 8.522 431 HZ1 LYS 57 HZ1 LYS 57 -19.621 12.203 7.941 432 HZ2 LYS 57 HZ2 LYS 57 -20.367 11.330 9.181 433 HZ3 LYS 57 HZ3 LYS 57 -19.671 10.514 7.873 434 H VAL 58 H VAL 58 -18.708 7.217 9.366 435 HA VAL 58 HA VAL 58 -20.381 5.910 11.400 436 HB VAL 58 HB VAL 58 -20.993 8.407 9.836 437 HG11 VAL 58 HG11 VAL 58 -23.235 8.320 10.895 438 HG12 VAL 58 HG12 VAL 58 -22.883 6.671 11.412 439 HG13 VAL 58 HG13 VAL 58 -22.962 7.061 9.690 440 HG21 VAL 58 HG21 VAL 58 -21.296 9.410 11.998 441 HG22 VAL 58 HG22 VAL 58 -19.719 8.616 11.935 442 HG23 VAL 58 HG23 VAL 58 -21.060 7.854 12.790 443 H ALA 59 H ALA 59 -20.447 7.087 8.073 444 HA ALA 59 HA ALA 59 -22.481 5.325 7.258 445 HB1 ALA 59 HB1 ALA 59 -22.138 7.439 6.163 446 HB2 ALA 59 HB2 ALA 59 -21.969 6.126 4.992 447 HB3 ALA 59 HB3 ALA 59 -20.530 6.929 5.640 448 H GLY 60 H GLY 60 -19.052 5.306 6.954 449 HA2 GLY 60 HA2 GLY 60 -17.694 3.369 7.037 450 HA3 GLY 60 HA3 GLY 60 -19.102 2.392 6.642 451 H HIS 61 H HIS 61 -17.809 5.253 5.006 452 HA HIS 61 HA HIS 61 -17.564 3.620 2.556 453 HB2 HIS 61 HB2 HIS 61 -19.073 5.629 2.528 454 HB3 HIS 61 HB3 HIS 61 -17.670 6.619 2.881 455 HD1 HIS 61 HD1 HIS 61 -19.194 4.585 0.111 456 HD2 HIS 61 HD2 HIS 61 -16.122 7.318 0.724 457 HE1 HIS 61 HE1 HIS 61 -18.439 5.278 -2.180 458 HE2 HIS 61 HE2 HIS 61 -16.756 7.104 -1.774 459 H SER 62 H SER 62 -15.663 3.508 1.485 460 HA SER 62 HA SER 62 -13.337 3.761 3.056 461 HB2 SER 62 HB2 SER 62 -13.446 3.296 0.067 462 HB3 SER 62 HB3 SER 62 -12.187 2.780 1.191 463 HG SER 62 HG SER 62 -13.457 1.005 0.864 464 H LEU 63 H LEU 63 -11.781 5.278 3.114 465 HA LEU 63 HA LEU 63 -12.493 7.815 1.867 466 HB2 LEU 63 HB2 LEU 63 -10.509 7.198 4.053 467 HB3 LEU 63 HB3 LEU 63 -10.953 8.804 3.503 468 HG LEU 63 HG LEU 63 -12.797 6.819 4.837 469 HD11 LEU 63 HD11 LEU 63 -11.243 7.796 6.401 470 HD12 LEU 63 HD12 LEU 63 -12.856 8.470 6.646 471 HD13 LEU 63 HD13 LEU 63 -11.622 9.412 5.806 472 HD21 LEU 63 HD21 LEU 63 -14.411 8.691 4.849 473 HD22 LEU 63 HD22 LEU 63 -14.038 8.108 3.228 474 HD23 LEU 63 HD23 LEU 63 -13.315 9.605 3.814 475 H GLY 64 H GLY 64 -10.792 5.400 0.765 476 HA2 GLY 64 HA2 GLY 64 -9.608 5.508 -1.235 477 HA3 GLY 64 HA3 GLY 64 -9.344 7.217 -0.959 478 H TYR 65 H TYR 65 -8.499 5.084 1.632 479 HA TYR 65 HA TYR 65 -5.903 4.464 0.624 480 HB2 TYR 65 HB2 TYR 65 -4.540 5.769 2.096 481 HB3 TYR 65 HB3 TYR 65 -5.630 6.872 1.269 482 HD1 TYR 65 HD1 TYR 65 -4.308 5.847 4.357 483 HD2 TYR 65 HD2 TYR 65 -7.767 7.555 2.576 484 HE1 TYR 65 HE1 TYR 65 -4.951 6.788 6.523 485 HE2 TYR 65 HE2 TYR 65 -8.423 8.499 4.742 486 HH TYR 65 HH TYR 65 -6.314 8.624 7.410 487 H GLY 66 H GLY 66 -4.566 3.324 2.233 488 HA2 GLY 66 HA2 GLY 66 -5.801 2.371 4.634 489 HA3 GLY 66 HA3 GLY 66 -5.823 1.179 3.347 490 H PHE 67 H PHE 67 -4.512 0.130 5.176 491 HA PHE 67 HA PHE 67 -1.664 0.680 4.724 492 HB2 PHE 67 HB2 PHE 67 -2.985 0.414 7.437 493 HB3 PHE 67 HB3 PHE 67 -1.248 0.402 7.180 494 HD1 PHE 67 HD1 PHE 67 -0.061 2.439 6.625 495 HD2 PHE 67 HD2 PHE 67 -4.271 2.443 7.237 496 HE1 PHE 67 HE1 PHE 67 -0.029 4.891 6.816 497 HE2 PHE 67 HE2 PHE 67 -4.246 4.893 7.426 498 HZ PHE 67 HZ PHE 67 -2.123 6.123 7.215 499 H VAL 68 H VAL 68 -1.066 -1.215 3.788 500 HA VAL 68 HA VAL 68 -1.838 -3.651 5.195 501 HB VAL 68 HB VAL 68 -2.546 -4.356 3.229 502 HG11 VAL 68 HG11 VAL 68 -2.125 -3.299 1.098 503 HG12 VAL 68 HG12 VAL 68 -0.892 -2.280 1.845 504 HG13 VAL 68 HG13 VAL 68 -2.582 -2.132 2.336 505 HG21 VAL 68 HG21 VAL 68 0.381 -4.457 2.516 506 HG22 VAL 68 HG22 VAL 68 -0.903 -5.310 1.660 507 HG23 VAL 68 HG23 VAL 68 -0.546 -5.714 3.338 508 H ASN 69 H ASN 69 -0.420 -4.219 6.549 509 HA ASN 69 HA ASN 69 2.413 -3.829 6.208 510 HB2 ASN 69 HB2 ASN 69 1.122 -3.785 8.424 511 HB3 ASN 69 HB3 ASN 69 1.036 -5.524 8.271 512 HD21 ASN 69 HD21 ASN 69 2.311 -6.163 9.897 513 HD22 ASN 69 HD22 ASN 69 3.989 -5.753 10.038 514 H TYR 70 H TYR 70 3.743 -5.279 5.280 515 HA TYR 70 HA TYR 70 2.680 -7.903 4.590 516 HB2 TYR 70 HB2 TYR 70 5.022 -6.258 3.724 517 HB3 TYR 70 HB3 TYR 70 5.107 -7.999 3.546 518 HD1 TYR 70 HD1 TYR 70 3.939 -4.945 2.095 519 HD2 TYR 70 HD2 TYR 70 3.288 -9.153 2.212 520 HE1 TYR 70 HE1 TYR 70 2.744 -4.827 -0.049 521 HE2 TYR 70 HE2 TYR 70 2.103 -9.036 0.069 522 HH TYR 70 HH TYR 70 1.024 -7.546 -1.348 523 H VAL 71 H VAL 71 4.031 -9.798 4.917 524 HA VAL 71 HA VAL 71 5.105 -9.908 7.590 525 HB VAL 71 HB VAL 71 5.449 -12.278 7.166 526 HG11 VAL 71 HG11 VAL 71 3.217 -11.579 7.794 527 HG12 VAL 71 HG12 VAL 71 3.124 -12.924 6.656 528 HG13 VAL 71 HG13 VAL 71 2.810 -11.276 6.104 529 HG21 VAL 71 HG21 VAL 71 4.900 -13.289 5.002 530 HG22 VAL 71 HG22 VAL 71 6.247 -12.159 4.869 531 HG23 VAL 71 HG23 VAL 71 4.641 -11.682 4.322 532 H THR 72 H THR 72 6.220 -8.911 4.701 533 HA THR 72 HA THR 72 9.051 -9.328 5.348 534 HB THR 72 HB THR 72 9.253 -9.392 2.732 535 HG1 THR 72 HG1 THR 72 7.387 -10.650 1.905 536 HG21 THR 72 HG21 THR 72 9.254 -11.810 2.717 537 HG22 THR 72 HG22 THR 72 8.324 -11.843 4.224 538 HG23 THR 72 HG23 THR 72 9.973 -11.211 4.216 539 H ALA 73 H ALA 73 10.368 -7.571 4.717 540 HA ALA 73 HA ALA 73 9.023 -5.193 3.727 541 HB1 ALA 73 HB1 ALA 73 10.801 -4.916 5.375 542 HB2 ALA 73 HB2 ALA 73 11.236 -4.141 3.852 543 HB3 ALA 73 HB3 ALA 73 11.950 -5.695 4.285 544 H LYS 74 H LYS 74 10.587 -7.945 2.614 545 HA LYS 74 HA LYS 74 11.554 -7.154 0.096 546 HB2 LYS 74 HB2 LYS 74 12.270 -9.218 0.965 547 HB3 LYS 74 HB3 LYS 74 10.630 -9.753 1.281 548 HG2 LYS 74 HG2 LYS 74 11.022 -9.219 -1.516 549 HG3 LYS 74 HG3 LYS 74 12.203 -10.380 -0.903 550 HD2 LYS 74 HD2 LYS 74 10.572 -11.885 -0.237 551 HD3 LYS 74 HD3 LYS 74 9.305 -10.656 -0.206 552 HE2 LYS 74 HE2 LYS 74 9.490 -10.469 -2.659 553 HE3 LYS 74 HE3 LYS 74 10.668 -11.779 -2.648 554 HZ1 LYS 74 HZ1 LYS 74 8.532 -12.667 -3.182 555 HZ2 LYS 74 HZ2 LYS 74 7.815 -11.941 -1.830 556 HZ3 LYS 74 HZ3 LYS 74 8.936 -13.196 -1.628 557 H ASP 75 H ASP 75 8.445 -8.663 0.976 558 HA ASP 75 HA ASP 75 7.384 -8.338 -1.670 559 HB2 ASP 75 HB2 ASP 75 6.097 -9.112 0.953 560 HB3 ASP 75 HB3 ASP 75 5.208 -9.010 -0.562 561 H ALA 76 H ALA 76 7.641 -6.323 1.080 562 HA ALA 76 HA ALA 76 5.496 -4.553 0.576 563 HB1 ALA 76 HB1 ALA 76 8.183 -4.052 1.877 564 HB2 ALA 76 HB2 ALA 76 6.679 -4.490 2.689 565 HB3 ALA 76 HB3 ALA 76 6.828 -2.923 1.897 566 H GLU 77 H GLU 77 8.955 -4.241 -0.271 567 HA GLU 77 HA GLU 77 8.615 -2.121 -2.101 568 HB2 GLU 77 HB2 GLU 77 10.814 -2.593 -1.289 569 HB3 GLU 77 HB3 GLU 77 10.731 -4.265 -1.829 570 HG2 GLU 77 HG2 GLU 77 10.860 -3.609 -4.113 571 HG3 GLU 77 HG3 GLU 77 10.695 -1.906 -3.692 572 H ARG 78 H ARG 78 8.268 -5.603 -2.408 573 HA ARG 78 HA ARG 78 8.202 -5.719 -5.214 574 HB2 ARG 78 HB2 ARG 78 8.521 -7.668 -3.740 575 HB3 ARG 78 HB3 ARG 78 6.856 -7.507 -3.198 576 HG2 ARG 78 HG2 ARG 78 6.023 -8.071 -5.339 577 HG3 ARG 78 HG3 ARG 78 7.632 -7.993 -6.054 578 HD2 ARG 78 HD2 ARG 78 8.336 -9.897 -4.765 579 HD3 ARG 78 HD3 ARG 78 6.800 -9.927 -3.901 580 HE ARG 78 HE ARG 78 5.791 -10.907 -5.730 581 HH11 ARG 78 HH11 ARG 78 9.034 -9.889 -6.591 582 HH12 ARG 78 HH12 ARG 78 9.073 -10.824 -8.051 583 HH21 ARG 78 HH21 ARG 78 5.834 -12.115 -7.658 584 HH22 ARG 78 HH22 ARG 78 7.248 -12.080 -8.665 585 H ALA 79 H ALA 79 5.724 -5.111 -2.769 586 HA ALA 79 HA ALA 79 3.575 -5.063 -4.618 587 HB1 ALA 79 HB1 ALA 79 2.346 -3.842 -2.802 588 HB2 ALA 79 HB2 ALA 79 3.838 -3.887 -1.851 589 HB3 ALA 79 HB3 ALA 79 3.044 -5.392 -2.319 590 H ILE 80 H ILE 80 5.828 -2.632 -3.428 591 HA ILE 80 HA ILE 80 4.490 -0.444 -4.692 592 HB ILE 80 HB ILE 80 7.358 -0.572 -3.906 593 HG12 ILE 80 HG12 ILE 80 4.977 0.252 -2.255 594 HG13 ILE 80 HG13 ILE 80 5.878 -1.243 -2.042 595 HG21 ILE 80 HG21 ILE 80 5.493 1.742 -4.115 596 HG22 ILE 80 HG22 ILE 80 6.705 1.282 -5.323 597 HG23 ILE 80 HG23 ILE 80 7.212 1.794 -3.706 598 HD11 ILE 80 HD11 ILE 80 7.013 1.510 -1.744 599 HD12 ILE 80 HD12 ILE 80 7.838 -0.018 -1.436 600 HD13 ILE 80 HD13 ILE 80 6.482 0.474 -0.423 601 H ASN 81 H ASN 81 6.935 -2.711 -5.786 602 HA ASN 81 HA ASN 81 7.284 -1.049 -8.127 603 HB2 ASN 81 HB2 ASN 81 8.875 -2.780 -8.886 604 HB3 ASN 81 HB3 ASN 81 9.265 -2.069 -7.321 605 HD21 ASN 81 HD21 ASN 81 10.369 -3.579 -6.334 606 HD22 ASN 81 HD22 ASN 81 9.830 -5.193 -6.040 607 H THR 82 H THR 82 5.533 -3.843 -7.167 608 HA THR 82 HA THR 82 4.758 -4.427 -9.885 609 HB THR 82 HB THR 82 4.214 -5.750 -7.260 610 HG1 THR 82 HG1 THR 82 6.216 -6.207 -8.125 611 HG21 THR 82 HG21 THR 82 2.171 -6.071 -8.457 612 HG22 THR 82 HG22 THR 82 3.092 -7.571 -8.566 613 HG23 THR 82 HG23 THR 82 3.038 -6.466 -9.944 614 H LEU 83 H LEU 83 3.000 -3.803 -6.835 615 HA LEU 83 HA LEU 83 0.492 -3.610 -8.234 616 HB2 LEU 83 HB2 LEU 83 1.218 -3.368 -5.349 617 HB3 LEU 83 HB3 LEU 83 -0.425 -3.284 -5.932 618 HG LEU 83 HG LEU 83 1.431 -5.667 -6.081 619 HD11 LEU 83 HD11 LEU 83 -0.788 -4.834 -4.301 620 HD12 LEU 83 HD12 LEU 83 0.680 -5.738 -3.934 621 HD13 LEU 83 HD13 LEU 83 -0.679 -6.543 -4.728 622 HD21 LEU 83 HD21 LEU 83 0.045 -5.632 -8.061 623 HD22 LEU 83 HD22 LEU 83 -1.394 -5.364 -7.079 624 HD23 LEU 83 HD23 LEU 83 -0.519 -6.889 -6.957 625 H ASN 84 H ASN 84 2.810 -1.361 -7.039 626 HA ASN 84 HA ASN 84 1.174 0.845 -6.464 627 HB2 ASN 84 HB2 ASN 84 3.746 0.369 -6.234 628 HB3 ASN 84 HB3 ASN 84 3.837 1.126 -7.806 629 HD21 ASN 84 HD21 ASN 84 5.237 2.183 -5.985 630 HD22 ASN 84 HD22 ASN 84 4.582 3.626 -5.326 631 H GLY 85 H GLY 85 -0.298 1.707 -7.799 632 HA2 GLY 85 HA2 GLY 85 -1.032 2.798 -9.746 633 HA3 GLY 85 HA3 GLY 85 0.374 2.183 -10.602 634 H LEU 86 H LEU 86 -1.612 0.111 -8.643 635 HA LEU 86 HA LEU 86 -2.227 -1.555 -10.923 636 HB2 LEU 86 HB2 LEU 86 -1.804 -2.005 -8.224 637 HB3 LEU 86 HB3 LEU 86 -3.537 -2.188 -8.378 638 HG LEU 86 HG LEU 86 -2.297 -4.322 -8.522 639 HD11 LEU 86 HD11 LEU 86 -3.759 -3.536 -11.032 640 HD12 LEU 86 HD12 LEU 86 -4.482 -4.157 -9.550 641 HD13 LEU 86 HD13 LEU 86 -3.424 -5.187 -10.513 642 HD21 LEU 86 HD21 LEU 86 -0.848 -4.839 -10.292 643 HD22 LEU 86 HD22 LEU 86 -0.341 -3.244 -9.731 644 HD23 LEU 86 HD23 LEU 86 -1.306 -3.397 -11.197 645 H ARG 87 H ARG 87 -4.294 -1.994 -11.708 646 HA ARG 87 HA ARG 87 -6.307 -0.000 -11.078 647 HB2 ARG 87 HB2 ARG 87 -6.124 -2.155 -13.175 648 HB3 ARG 87 HB3 ARG 87 -7.591 -1.217 -12.916 649 HG2 ARG 87 HG2 ARG 87 -4.917 0.006 -13.533 650 HG3 ARG 87 HG3 ARG 87 -6.125 -0.391 -14.756 651 HD2 ARG 87 HD2 ARG 87 -7.713 1.114 -13.710 652 HD3 ARG 87 HD3 ARG 87 -6.566 1.460 -12.416 653 HE ARG 87 HE ARG 87 -5.198 2.147 -14.635 654 HH11 ARG 87 HH11 ARG 87 -8.405 2.992 -13.487 655 HH12 ARG 87 HH12 ARG 87 -8.370 4.569 -14.206 656 HH21 ARG 87 HH21 ARG 87 -5.165 4.213 -15.571 657 HH22 ARG 87 HH22 ARG 87 -6.535 5.262 -15.394 658 H LEU 88 H LEU 88 -6.815 -0.619 -8.987 659 HA LEU 88 HA LEU 88 -8.062 -3.196 -8.529 660 HB2 LEU 88 HB2 LEU 88 -7.049 -0.993 -6.912 661 HB3 LEU 88 HB3 LEU 88 -8.591 -1.604 -6.344 662 HG LEU 88 HG LEU 88 -6.150 -3.311 -6.805 663 HD11 LEU 88 HD11 LEU 88 -7.333 -2.478 -4.177 664 HD12 LEU 88 HD12 LEU 88 -6.012 -1.600 -4.940 665 HD13 LEU 88 HD13 LEU 88 -5.796 -3.292 -4.478 666 HD21 LEU 88 HD21 LEU 88 -8.842 -3.855 -5.561 667 HD22 LEU 88 HD22 LEU 88 -7.467 -4.962 -5.509 668 HD23 LEU 88 HD23 LEU 88 -8.206 -4.545 -7.055 669 H GLN 89 H GLN 89 -10.082 -3.461 -9.253 670 HA GLN 89 HA GLN 89 -12.212 -3.000 -9.933 671 HB2 GLN 89 HB2 GLN 89 -12.048 -1.060 -7.653 672 HB3 GLN 89 HB3 GLN 89 -13.542 -1.532 -8.445 673 HG2 GLN 89 HG2 GLN 89 -13.124 -3.866 -7.742 674 HG3 GLN 89 HG3 GLN 89 -11.690 -3.313 -6.878 675 HE21 GLN 89 HE21 GLN 89 -12.930 -0.833 -6.056 676 HE22 GLN 89 HE22 GLN 89 -14.049 -1.229 -4.801 677 H SER 90 H SER 90 -10.033 -1.656 -11.100 678 HA SER 90 HA SER 90 -9.780 -0.303 -12.894 679 HB2 SER 90 HB2 SER 90 -12.593 0.411 -12.304 680 HB3 SER 90 HB3 SER 90 -11.723 1.041 -13.699 681 HG SER 90 HG SER 90 -11.693 -1.721 -13.274 682 H LYS 91 H LYS 91 -9.834 0.572 -9.836 683 HA LYS 91 HA LYS 91 -9.308 3.433 -10.303 684 HB2 LYS 91 HB2 LYS 91 -10.617 2.058 -8.238 685 HB3 LYS 91 HB3 LYS 91 -9.062 2.505 -7.560 686 HG2 LYS 91 HG2 LYS 91 -10.950 4.444 -8.833 687 HG3 LYS 91 HG3 LYS 91 -10.850 4.120 -7.110 688 HD2 LYS 91 HD2 LYS 91 -8.237 4.576 -7.781 689 HD3 LYS 91 HD3 LYS 91 -9.113 5.722 -8.802 690 HE2 LYS 91 HE2 LYS 91 -10.414 6.275 -6.659 691 HE3 LYS 91 HE3 LYS 91 -9.086 5.486 -5.821 692 HZ1 LYS 91 HZ1 LYS 91 -7.558 7.048 -6.888 693 HZ2 LYS 91 HZ2 LYS 91 -8.710 7.853 -5.947 694 HZ3 LYS 91 HZ3 LYS 91 -8.859 7.831 -7.631 695 H THR 92 H THR 92 -7.212 4.256 -9.981 696 HA THR 92 HA THR 92 -5.150 2.190 -9.807 697 HB THR 92 HB THR 92 -4.236 4.940 -10.235 698 HG1 THR 92 HG1 THR 92 -6.411 4.177 -11.542 699 HG21 THR 92 HG21 THR 92 -2.932 3.857 -12.002 700 HG22 THR 92 HG22 THR 92 -3.835 2.362 -11.757 701 HG23 THR 92 HG23 THR 92 -2.787 2.978 -10.481 702 H ILE 93 H ILE 93 -3.972 1.876 -8.067 703 HA ILE 93 HA ILE 93 -4.422 3.628 -5.771 704 HB ILE 93 HB ILE 93 -3.701 1.722 -4.442 705 HG12 ILE 93 HG12 ILE 93 -3.328 0.381 -7.129 706 HG13 ILE 93 HG13 ILE 93 -2.042 0.847 -6.024 707 HG21 ILE 93 HG21 ILE 93 -5.679 0.817 -6.524 708 HG22 ILE 93 HG22 ILE 93 -6.061 1.995 -5.268 709 HG23 ILE 93 HG23 ILE 93 -5.614 0.345 -4.820 710 HD11 ILE 93 HD11 ILE 93 -2.415 -1.490 -5.867 711 HD12 ILE 93 HD12 ILE 93 -4.140 -1.240 -5.583 712 HD13 ILE 93 HD13 ILE 93 -2.963 -0.727 -4.373 713 H LYS 94 H LYS 94 -2.660 3.833 -4.196 714 HA LYS 94 HA LYS 94 0.023 3.929 -5.431 715 HB2 LYS 94 HB2 LYS 94 -0.566 6.198 -5.185 716 HB3 LYS 94 HB3 LYS 94 -1.410 5.899 -3.672 717 HG2 LYS 94 HG2 LYS 94 0.831 5.389 -2.647 718 HG3 LYS 94 HG3 LYS 94 1.554 6.009 -4.132 719 HD2 LYS 94 HD2 LYS 94 0.853 8.172 -3.727 720 HD3 LYS 94 HD3 LYS 94 -0.476 7.656 -2.692 721 HE2 LYS 94 HE2 LYS 94 1.295 8.728 -1.397 722 HE3 LYS 94 HE3 LYS 94 1.101 7.039 -0.945 723 HZ1 LYS 94 HZ1 LYS 94 3.035 6.475 -2.240 724 HZ2 LYS 94 HZ2 LYS 94 3.427 7.712 -1.151 725 HZ3 LYS 94 HZ3 LYS 94 3.188 8.074 -2.780 726 H VAL 95 H VAL 95 0.897 2.095 -4.528 727 HA VAL 95 HA VAL 95 0.658 1.799 -1.627 728 HB VAL 95 HB VAL 95 0.745 -0.389 -1.893 729 HG11 VAL 95 HG11 VAL 95 0.748 0.214 -4.832 730 HG12 VAL 95 HG12 VAL 95 -0.662 0.125 -3.782 731 HG13 VAL 95 HG13 VAL 95 0.296 -1.329 -4.105 732 HG21 VAL 95 HG21 VAL 95 2.517 -1.535 -3.245 733 HG22 VAL 95 HG22 VAL 95 3.087 -0.483 -1.948 734 HG23 VAL 95 HG23 VAL 95 3.140 0.072 -3.619 735 H SER 96 H SER 96 2.328 2.119 -0.299 736 HA SER 96 HA SER 96 5.021 2.503 -1.229 737 HB2 SER 96 HB2 SER 96 3.408 4.866 -0.198 738 HB3 SER 96 HB3 SER 96 5.134 4.882 -0.555 739 HG SER 96 HG SER 96 3.749 3.957 -2.675 740 H TYR 97 H TYR 97 6.439 3.080 0.695 741 HA TYR 97 HA TYR 97 5.719 1.460 2.944 742 HB2 TYR 97 HB2 TYR 97 7.915 3.527 2.980 743 HB3 TYR 97 HB3 TYR 97 7.830 2.001 3.847 744 HD1 TYR 97 HD1 TYR 97 7.847 -0.159 2.328 745 HD2 TYR 97 HD2 TYR 97 9.219 3.679 1.088 746 HE1 TYR 97 HE1 TYR 97 9.232 -1.213 0.585 747 HE2 TYR 97 HE2 TYR 97 10.599 2.637 -0.660 748 HH TYR 97 HH TYR 97 10.219 -0.467 -1.690 749 H ALA 98 H ALA 98 4.117 2.100 4.250 750 HA ALA 98 HA ALA 98 3.316 4.766 4.623 751 HB1 ALA 98 HB1 ALA 98 1.850 3.984 6.313 752 HB2 ALA 98 HB2 ALA 98 2.854 2.567 6.631 753 HB3 ALA 98 HB3 ALA 98 1.950 2.687 5.121 754 H ARG 99 H ARG 99 4.446 6.296 5.502 755 HA ARG 99 HA ARG 99 6.990 6.188 6.324 756 HB2 ARG 99 HB2 ARG 99 5.788 8.235 5.770 757 HB3 ARG 99 HB3 ARG 99 4.878 8.128 7.266 758 HG2 ARG 99 HG2 ARG 99 6.923 8.482 8.544 759 HG3 ARG 99 HG3 ARG 99 7.846 8.571 7.040 760 HD2 ARG 99 HD2 ARG 99 6.563 10.513 6.342 761 HD3 ARG 99 HD3 ARG 99 5.574 10.406 7.795 762 HE ARG 99 HE ARG 99 8.187 10.630 8.660 763 HH11 ARG 99 HH11 ARG 99 5.958 12.540 6.747 764 HH12 ARG 99 HH12 ARG 99 6.648 14.057 7.221 765 HH21 ARG 99 HH21 ARG 99 9.079 12.639 9.315 766 HH22 ARG 99 HH22 ARG 99 8.419 14.116 8.687 767 HA PRO 100 HA PRO 100 6.519 4.247 10.373 768 HB2 PRO 100 HB2 PRO 100 9.328 3.612 10.148 769 HB3 PRO 100 HB3 PRO 100 7.952 2.516 10.163 770 HG2 PRO 100 HG2 PRO 100 9.491 2.911 7.959 771 HG3 PRO 100 HG3 PRO 100 7.770 2.480 7.881 772 HD2 PRO 100 HD2 PRO 100 9.071 5.164 7.585 773 HD3 PRO 100 HD3 PRO 100 7.752 4.441 6.637 774 H SER 101 H SER 101 6.425 5.818 11.815 775 HA SER 101 HA SER 101 8.555 6.865 13.122 776 HB2 SER 101 HB2 SER 101 8.853 8.097 10.982 777 HB3 SER 101 HB3 SER 101 7.298 8.871 11.258 778 HG SER 101 HG SER 101 9.071 9.037 13.367 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 7.327 14.184 -15.972 2 H2 GLY 1 H2 GLY 1 5.936 13.870 -15.064 3 H3 GLY 1 H3 GLY 1 5.947 13.562 -16.726 4 HA2 GLY 1 HA2 GLY 1 7.573 11.823 -16.451 5 HA3 GLY 1 HA3 GLY 1 7.639 12.166 -14.730 6 H HIS 2 H HIS 2 6.685 9.868 -16.610 7 HA HIS 2 HA HIS 2 3.939 9.540 -15.670 8 HB2 HIS 2 HB2 HIS 2 5.617 7.793 -17.489 9 HB3 HIS 2 HB3 HIS 2 3.921 7.530 -17.112 10 HD1 HIS 2 HD1 HIS 2 2.194 9.041 -18.285 11 HD2 HIS 2 HD2 HIS 2 6.137 9.861 -19.309 12 HE1 HIS 2 HE1 HIS 2 2.073 10.511 -20.319 13 HE2 HIS 2 HE2 HIS 2 4.464 11.130 -20.815 14 H MET 3 H MET 3 5.882 9.534 -13.666 15 HA MET 3 HA MET 3 6.699 6.872 -13.006 16 HB2 MET 3 HB2 MET 3 7.896 8.982 -12.323 17 HB3 MET 3 HB3 MET 3 6.581 9.293 -11.201 18 HG2 MET 3 HG2 MET 3 7.090 7.202 -10.036 19 HG3 MET 3 HG3 MET 3 8.421 6.912 -11.153 20 HE1 MET 3 HE1 MET 3 9.047 6.793 -8.116 21 HE2 MET 3 HE2 MET 3 10.501 7.787 -8.035 22 HE3 MET 3 HE3 MET 3 10.260 6.684 -9.390 23 H SER 4 H SER 4 5.547 5.362 -12.014 24 HA SER 4 HA SER 4 2.809 5.791 -11.384 25 HB2 SER 4 HB2 SER 4 4.507 3.404 -10.631 26 HB3 SER 4 HB3 SER 4 2.755 3.450 -10.813 27 HG SER 4 HG SER 4 4.544 4.046 -12.933 28 H ASN 5 H ASN 5 5.760 5.710 -9.519 29 HA ASN 5 HA ASN 5 4.325 5.753 -7.005 30 HB2 ASN 5 HB2 ASN 5 6.506 4.575 -7.206 31 HB3 ASN 5 HB3 ASN 5 7.286 6.120 -7.519 32 HD21 ASN 5 HD21 ASN 5 4.677 5.662 -5.210 33 HD22 ASN 5 HD22 ASN 5 5.621 5.964 -3.799 34 H GLY 6 H GLY 6 3.190 7.752 -8.016 35 HA2 GLY 6 HA2 GLY 6 4.515 10.264 -7.551 36 HA3 GLY 6 HA3 GLY 6 2.782 10.020 -7.747 37 H TYR 7 H TYR 7 5.229 8.925 -5.500 38 HA TYR 7 HA TYR 7 4.114 10.111 -3.165 39 HB2 TYR 7 HB2 TYR 7 2.689 7.926 -3.939 40 HB3 TYR 7 HB3 TYR 7 3.975 7.130 -3.043 41 HD1 TYR 7 HD1 TYR 7 4.408 8.074 -0.630 42 HD2 TYR 7 HD2 TYR 7 0.786 8.633 -2.818 43 HE1 TYR 7 HE1 TYR 7 3.206 8.504 1.471 44 HE2 TYR 7 HE2 TYR 7 -0.412 9.070 -0.715 45 HH TYR 7 HH TYR 7 1.161 9.699 2.199 46 H GLU 8 H GLU 8 6.475 10.380 -4.235 47 HA GLU 8 HA GLU 8 8.277 8.173 -3.839 48 HB2 GLU 8 HB2 GLU 8 9.939 9.634 -4.885 49 HB3 GLU 8 HB3 GLU 8 8.470 9.511 -5.833 50 HG2 GLU 8 HG2 GLU 8 8.946 11.807 -3.974 51 HG3 GLU 8 HG3 GLU 8 9.590 11.787 -5.614 52 H ASP 9 H ASP 9 10.588 9.666 -3.323 53 HA ASP 9 HA ASP 9 11.951 10.360 -1.650 54 HB2 ASP 9 HB2 ASP 9 9.385 10.950 -0.163 55 HB3 ASP 9 HB3 ASP 9 10.985 11.233 0.511 56 H HIS 10 H HIS 10 11.729 7.812 -2.109 57 HA HIS 10 HA HIS 10 12.708 6.627 0.203 58 HB2 HIS 10 HB2 HIS 10 11.016 5.046 0.875 59 HB3 HIS 10 HB3 HIS 10 10.283 6.642 0.889 60 HD1 HIS 10 HD1 HIS 10 8.303 7.043 -0.670 61 HD2 HIS 10 HD2 HIS 10 10.116 3.347 -1.226 62 HE1 HIS 10 HE1 HIS 10 6.799 5.783 -2.240 63 HE2 HIS 10 HE2 HIS 10 8.051 3.651 -2.742 64 H MET 11 H MET 11 11.554 6.514 -2.953 65 HA MET 11 HA MET 11 12.037 3.765 -3.493 66 HB2 MET 11 HB2 MET 11 11.446 4.258 -5.773 67 HB3 MET 11 HB3 MET 11 10.322 5.064 -4.688 68 HG2 MET 11 HG2 MET 11 12.632 6.334 -6.131 69 HG3 MET 11 HG3 MET 11 10.923 6.502 -6.528 70 HE1 MET 11 HE1 MET 11 12.034 10.014 -5.167 71 HE2 MET 11 HE2 MET 11 11.493 9.093 -6.568 72 HE3 MET 11 HE3 MET 11 13.126 8.866 -5.942 73 H ALA 12 H ALA 12 13.882 6.698 -3.890 74 HA ALA 12 HA ALA 12 16.111 5.068 -4.921 75 HB1 ALA 12 HB1 ALA 12 16.951 7.060 -6.045 76 HB2 ALA 12 HB2 ALA 12 15.589 7.996 -5.430 77 HB3 ALA 12 HB3 ALA 12 15.312 6.687 -6.578 78 H GLU 13 H GLU 13 15.023 7.437 -2.645 79 HA GLU 13 HA GLU 13 17.065 6.940 -0.790 80 HB2 GLU 13 HB2 GLU 13 18.158 9.179 -0.835 81 HB3 GLU 13 HB3 GLU 13 18.500 8.218 -2.265 82 HG2 GLU 13 HG2 GLU 13 16.676 9.480 -3.434 83 HG3 GLU 13 HG3 GLU 13 16.610 10.541 -2.027 84 H ASP 14 H ASP 14 17.002 8.836 0.916 85 HA ASP 14 HA ASP 14 15.887 10.246 2.303 86 HB2 ASP 14 HB2 ASP 14 14.952 11.251 0.142 87 HB3 ASP 14 HB3 ASP 14 13.523 10.264 0.433 88 H CYS 15 H CYS 15 14.320 10.151 3.916 89 HA CYS 15 HA CYS 15 12.896 9.268 5.392 90 HB2 CYS 15 HB2 CYS 15 11.900 7.783 2.973 91 HB3 CYS 15 HB3 CYS 15 11.142 7.708 4.572 92 HG CYS 15 HG CYS 15 11.568 10.614 2.810 93 H ARG 16 H ARG 16 12.157 7.275 6.466 94 HA ARG 16 HA ARG 16 14.217 5.192 6.391 95 HB2 ARG 16 HB2 ARG 16 12.253 5.924 8.575 96 HB3 ARG 16 HB3 ARG 16 13.459 4.649 8.678 97 HG2 ARG 16 HG2 ARG 16 14.339 6.484 9.832 98 HG3 ARG 16 HG3 ARG 16 15.198 6.423 8.293 99 HD2 ARG 16 HD2 ARG 16 13.450 8.103 7.469 100 HD3 ARG 16 HD3 ARG 16 13.028 8.313 9.173 101 HE ARG 16 HE ARG 16 15.678 8.711 9.222 102 HH11 ARG 16 HH11 ARG 16 13.146 10.006 7.186 103 HH12 ARG 16 HH12 ARG 16 13.990 11.486 6.846 104 HH21 ARG 16 HH21 ARG 16 16.784 10.676 8.803 105 HH22 ARG 16 HH22 ARG 16 16.050 11.867 7.777 106 H GLY 17 H GLY 17 12.091 5.424 4.549 107 HA2 GLY 17 HA2 GLY 17 10.491 3.041 5.206 108 HA3 GLY 17 HA3 GLY 17 9.917 4.355 4.183 109 H ASP 18 H ASP 18 12.537 1.986 4.405 110 HA ASP 18 HA ASP 18 12.213 0.828 1.913 111 HB2 ASP 18 HB2 ASP 18 12.796 3.004 0.941 112 HB3 ASP 18 HB3 ASP 18 14.292 3.031 1.868 113 H ILE 19 H ILE 19 14.265 1.775 4.525 114 HA ILE 19 HA ILE 19 16.433 0.136 4.394 115 HB ILE 19 HB ILE 19 15.540 -0.135 7.030 116 HG12 ILE 19 HG12 ILE 19 15.116 2.735 6.375 117 HG13 ILE 19 HG13 ILE 19 13.796 1.618 6.062 118 HG21 ILE 19 HG21 ILE 19 17.271 1.960 5.768 119 HG22 ILE 19 HG22 ILE 19 17.794 0.383 6.356 120 HG23 ILE 19 HG23 ILE 19 17.206 1.598 7.490 121 HD11 ILE 19 HD11 ILE 19 13.593 2.676 8.230 122 HD12 ILE 19 HD12 ILE 19 15.160 2.013 8.705 123 HD13 ILE 19 HD13 ILE 19 13.802 0.933 8.381 124 H GLY 20 H GLY 20 13.710 -0.810 6.433 125 HA2 GLY 20 HA2 GLY 20 13.462 -3.345 5.010 126 HA3 GLY 20 HA3 GLY 20 13.930 -3.426 6.705 127 H ARG 21 H ARG 21 11.587 -1.437 4.902 128 HA ARG 21 HA ARG 21 9.739 -1.811 7.102 129 HB2 ARG 21 HB2 ARG 21 9.548 0.008 4.745 130 HB3 ARG 21 HB3 ARG 21 8.390 -0.056 6.053 131 HG2 ARG 21 HG2 ARG 21 11.244 0.867 6.152 132 HG3 ARG 21 HG3 ARG 21 9.767 1.782 6.512 133 HD2 ARG 21 HD2 ARG 21 9.284 0.237 8.307 134 HD3 ARG 21 HD3 ARG 21 10.784 -0.601 7.958 135 HE ARG 21 HE ARG 21 11.362 2.102 8.459 136 HH11 ARG 21 HH11 ARG 21 10.222 -0.739 10.150 137 HH12 ARG 21 HH12 ARG 21 10.924 -0.285 11.669 138 HH21 ARG 21 HH21 ARG 21 12.289 2.718 10.477 139 HH22 ARG 21 HH22 ARG 21 12.097 1.682 11.852 140 H THR 22 H THR 22 7.975 -2.898 7.098 141 HA THR 22 HA THR 22 7.274 -4.357 4.658 142 HB THR 22 HB THR 22 6.051 -5.865 6.241 143 HG1 THR 22 HG1 THR 22 5.795 -4.265 7.935 144 HG21 THR 22 HG21 THR 22 8.349 -6.376 5.542 145 HG22 THR 22 HG22 THR 22 8.062 -6.891 7.207 146 HG23 THR 22 HG23 THR 22 8.972 -5.412 6.882 147 H ASN 23 H ASN 23 6.328 -1.849 6.716 148 HA ASN 23 HA ASN 23 3.476 -2.065 6.392 149 HB2 ASN 23 HB2 ASN 23 4.791 -0.890 8.297 150 HB3 ASN 23 HB3 ASN 23 4.987 0.434 7.146 151 HD21 ASN 23 HD21 ASN 23 2.117 -1.560 7.254 152 HD22 ASN 23 HD22 ASN 23 1.060 -0.344 7.867 153 H LEU 24 H LEU 24 2.538 -1.655 4.494 154 HA LEU 24 HA LEU 24 3.716 0.435 2.788 155 HB2 LEU 24 HB2 LEU 24 2.804 -2.248 2.262 156 HB3 LEU 24 HB3 LEU 24 1.882 -1.106 1.305 157 HG LEU 24 HG LEU 24 3.850 -0.300 0.223 158 HD11 LEU 24 HD11 LEU 24 5.394 -2.005 2.164 159 HD12 LEU 24 HD12 LEU 24 5.380 -0.242 2.084 160 HD13 LEU 24 HD13 LEU 24 6.084 -1.179 0.767 161 HD21 LEU 24 HD21 LEU 24 3.972 -3.291 0.456 162 HD22 LEU 24 HD22 LEU 24 4.665 -2.321 -0.842 163 HD23 LEU 24 HD23 LEU 24 2.916 -2.376 -0.620 164 H ILE 25 H ILE 25 2.646 2.228 2.676 165 HA ILE 25 HA ILE 25 -0.173 2.350 3.342 166 HB ILE 25 HB ILE 25 1.336 4.194 4.053 167 HG12 ILE 25 HG12 ILE 25 -0.902 4.886 2.151 168 HG13 ILE 25 HG13 ILE 25 -1.026 4.559 3.877 169 HG21 ILE 25 HG21 ILE 25 2.810 4.200 2.092 170 HG22 ILE 25 HG22 ILE 25 2.172 5.806 2.458 171 HG23 ILE 25 HG23 ILE 25 1.494 4.872 1.124 172 HD11 ILE 25 HD11 ILE 25 -1.202 6.939 3.347 173 HD12 ILE 25 HD12 ILE 25 0.425 6.893 2.665 174 HD13 ILE 25 HD13 ILE 25 0.180 6.578 4.383 175 H VAL 26 H VAL 26 -1.751 2.242 1.888 176 HA VAL 26 HA VAL 26 -0.978 2.439 -0.953 177 HB VAL 26 HB VAL 26 -3.225 0.742 0.112 178 HG11 VAL 26 HG11 VAL 26 -1.769 0.779 -2.532 179 HG12 VAL 26 HG12 VAL 26 -3.376 1.441 -2.239 180 HG13 VAL 26 HG13 VAL 26 -3.097 -0.295 -2.094 181 HG21 VAL 26 HG21 VAL 26 -1.144 -0.072 1.037 182 HG22 VAL 26 HG22 VAL 26 -0.397 -0.031 -0.561 183 HG23 VAL 26 HG23 VAL 26 -1.708 -1.162 -0.231 184 H ASN 27 H ASN 27 -1.653 4.327 -1.574 185 HA ASN 27 HA ASN 27 -4.163 5.399 -0.530 186 HB2 ASN 27 HB2 ASN 27 -1.761 6.612 -0.928 187 HB3 ASN 27 HB3 ASN 27 -2.574 7.012 -2.424 188 HD21 ASN 27 HD21 ASN 27 -2.382 7.548 0.947 189 HD22 ASN 27 HD22 ASN 27 -3.566 8.803 1.047 190 H TYR 28 H TYR 28 -5.272 6.785 -2.334 191 HA TYR 28 HA TYR 28 -6.614 6.768 -4.165 192 HB2 TYR 28 HB2 TYR 28 -4.342 5.272 -5.476 193 HB3 TYR 28 HB3 TYR 28 -5.606 6.178 -6.295 194 HD1 TYR 28 HD1 TYR 28 -5.425 8.574 -6.539 195 HD2 TYR 28 HD2 TYR 28 -2.624 6.436 -4.178 196 HE1 TYR 28 HE1 TYR 28 -3.975 10.562 -6.460 197 HE2 TYR 28 HE2 TYR 28 -1.162 8.410 -4.073 198 HH TYR 28 HH TYR 28 -2.175 11.486 -4.969 199 H LEU 29 H LEU 29 -6.899 4.602 -2.285 200 HA LEU 29 HA LEU 29 -7.460 2.173 -3.715 201 HB2 LEU 29 HB2 LEU 29 -8.396 3.158 -1.015 202 HB3 LEU 29 HB3 LEU 29 -8.726 1.558 -1.648 203 HG LEU 29 HG LEU 29 -6.076 2.708 -0.814 204 HD11 LEU 29 HD11 LEU 29 -7.523 1.733 0.922 205 HD12 LEU 29 HD12 LEU 29 -6.037 0.813 0.686 206 HD13 LEU 29 HD13 LEU 29 -7.557 0.217 0.019 207 HD21 LEU 29 HD21 LEU 29 -5.110 0.547 -1.563 208 HD22 LEU 29 HD22 LEU 29 -5.643 1.588 -2.879 209 HD23 LEU 29 HD23 LEU 29 -6.627 0.207 -2.396 210 HA PRO 30 HA PRO 30 -11.422 3.046 -5.485 211 HB2 PRO 30 HB2 PRO 30 -12.373 0.504 -4.326 212 HB3 PRO 30 HB3 PRO 30 -12.353 1.027 -6.001 213 HG2 PRO 30 HG2 PRO 30 -10.631 -0.816 -4.993 214 HG3 PRO 30 HG3 PRO 30 -10.248 0.232 -6.365 215 HD2 PRO 30 HD2 PRO 30 -9.254 0.320 -3.593 216 HD3 PRO 30 HD3 PRO 30 -8.524 0.959 -5.076 217 H GLN 31 H GLN 31 -13.418 3.835 -4.776 218 HA GLN 31 HA GLN 31 -13.350 4.679 -2.047 219 HB2 GLN 31 HB2 GLN 31 -15.252 5.240 -4.306 220 HB3 GLN 31 HB3 GLN 31 -15.422 5.945 -2.704 221 HG2 GLN 31 HG2 GLN 31 -13.045 6.267 -4.518 222 HG3 GLN 31 HG3 GLN 31 -14.311 7.467 -4.255 223 HE21 GLN 31 HE21 GLN 31 -11.513 5.907 -2.944 224 HE22 GLN 31 HE22 GLN 31 -11.306 6.954 -1.582 225 H ASN 32 H ASN 32 -14.701 1.954 -3.489 226 HA ASN 32 HA ASN 32 -16.593 1.698 -1.251 227 HB2 ASN 32 HB2 ASN 32 -17.948 0.227 -2.665 228 HB3 ASN 32 HB3 ASN 32 -17.779 1.823 -3.383 229 HD21 ASN 32 HD21 ASN 32 -16.714 2.046 -5.299 230 HD22 ASN 32 HD22 ASN 32 -16.179 0.704 -6.251 231 H MET 33 H MET 33 -13.630 0.729 -1.965 232 HA MET 33 HA MET 33 -13.927 -2.115 -2.081 233 HB2 MET 33 HB2 MET 33 -12.077 -0.747 -3.111 234 HB3 MET 33 HB3 MET 33 -11.400 -0.602 -1.496 235 HG2 MET 33 HG2 MET 33 -11.071 -2.918 -1.337 236 HG3 MET 33 HG3 MET 33 -12.013 -3.225 -2.781 237 HE1 MET 33 HE1 MET 33 -8.634 -2.325 -1.282 238 HE2 MET 33 HE2 MET 33 -9.291 -0.753 -1.746 239 HE3 MET 33 HE3 MET 33 -7.850 -1.382 -2.558 240 H THR 34 H THR 34 -12.619 -3.530 -0.574 241 HA THR 34 HA THR 34 -13.277 -2.822 2.209 242 HB THR 34 HB THR 34 -13.793 -5.116 2.623 243 HG1 THR 34 HG1 THR 34 -13.540 -6.602 0.706 244 HG21 THR 34 HG21 THR 34 -15.615 -5.541 1.127 245 HG22 THR 34 HG22 THR 34 -14.869 -4.563 -0.139 246 HG23 THR 34 HG23 THR 34 -15.492 -3.791 1.325 247 H GLN 35 H GLN 35 -11.875 -3.967 3.872 248 HA GLN 35 HA GLN 35 -9.128 -3.783 3.471 249 HB2 GLN 35 HB2 GLN 35 -10.566 -5.718 5.297 250 HB3 GLN 35 HB3 GLN 35 -8.839 -5.402 5.333 251 HG2 GLN 35 HG2 GLN 35 -9.721 -4.162 7.084 252 HG3 GLN 35 HG3 GLN 35 -9.436 -3.002 5.800 253 HE21 GLN 35 HE21 GLN 35 -12.126 -5.222 5.732 254 HE22 GLN 35 HE22 GLN 35 -13.356 -4.037 6.010 255 H ASP 36 H ASP 36 -11.290 -6.518 3.097 256 HA ASP 36 HA ASP 36 -9.347 -8.501 2.731 257 HB2 ASP 36 HB2 ASP 36 -11.782 -8.817 3.255 258 HB3 ASP 36 HB3 ASP 36 -12.145 -8.454 1.571 259 H GLU 37 H GLU 37 -10.741 -6.217 0.441 260 HA GLU 37 HA GLU 37 -9.647 -7.560 -1.863 261 HB2 GLU 37 HB2 GLU 37 -10.664 -4.724 -1.616 262 HB3 GLU 37 HB3 GLU 37 -10.413 -5.620 -3.105 263 HG2 GLU 37 HG2 GLU 37 -12.360 -6.478 -0.988 264 HG3 GLU 37 HG3 GLU 37 -12.803 -5.440 -2.341 265 H LEU 38 H LEU 38 -8.896 -4.655 0.023 266 HA LEU 38 HA LEU 38 -6.525 -3.914 -1.292 267 HB2 LEU 38 HB2 LEU 38 -7.761 -2.452 0.254 268 HB3 LEU 38 HB3 LEU 38 -7.434 -3.518 1.585 269 HG LEU 38 HG LEU 38 -6.090 -1.304 1.302 270 HD11 LEU 38 HD11 LEU 38 -4.610 -3.849 1.875 271 HD12 LEU 38 HD12 LEU 38 -5.720 -3.063 2.999 272 HD13 LEU 38 HD13 LEU 38 -4.252 -2.232 2.485 273 HD21 LEU 38 HD21 LEU 38 -5.426 -1.671 -0.999 274 HD22 LEU 38 HD22 LEU 38 -4.590 -3.152 -0.535 275 HD23 LEU 38 HD23 LEU 38 -4.011 -1.590 0.053 276 H ARG 39 H ARG 39 -7.251 -6.243 1.166 277 HA ARG 39 HA ARG 39 -4.548 -6.829 1.878 278 HB2 ARG 39 HB2 ARG 39 -6.686 -7.055 3.293 279 HB3 ARG 39 HB3 ARG 39 -6.975 -8.538 2.416 280 HG2 ARG 39 HG2 ARG 39 -4.469 -8.039 3.981 281 HG3 ARG 39 HG3 ARG 39 -5.914 -8.759 4.678 282 HD2 ARG 39 HD2 ARG 39 -5.826 -10.558 3.065 283 HD3 ARG 39 HD3 ARG 39 -4.406 -9.830 2.312 284 HE ARG 39 HE ARG 39 -3.868 -10.270 5.037 285 HH11 ARG 39 HH11 ARG 39 -4.454 -12.100 2.120 286 HH12 ARG 39 HH12 ARG 39 -3.367 -13.381 2.546 287 HH21 ARG 39 HH21 ARG 39 -2.417 -11.957 5.602 288 HH22 ARG 39 HH22 ARG 39 -2.191 -13.298 4.518 289 H SER 40 H SER 40 -7.023 -8.410 -0.172 290 HA SER 40 HA SER 40 -5.439 -10.721 -0.672 291 HB2 SER 40 HB2 SER 40 -7.113 -11.152 -2.502 292 HB3 SER 40 HB3 SER 40 -7.813 -10.916 -0.902 293 HG SER 40 HG SER 40 -8.820 -9.233 -1.611 294 H LEU 41 H LEU 41 -5.917 -7.702 -2.425 295 HA LEU 41 HA LEU 41 -4.518 -8.395 -4.760 296 HB2 LEU 41 HB2 LEU 41 -6.057 -6.432 -4.341 297 HB3 LEU 41 HB3 LEU 41 -4.728 -5.682 -3.493 298 HG LEU 41 HG LEU 41 -5.298 -5.199 -6.046 299 HD11 LEU 41 HD11 LEU 41 -2.523 -5.304 -4.905 300 HD12 LEU 41 HD12 LEU 41 -3.686 -4.001 -4.673 301 HD13 LEU 41 HD13 LEU 41 -3.042 -4.332 -6.280 302 HD21 LEU 41 HD21 LEU 41 -3.716 -6.371 -7.502 303 HD22 LEU 41 HD22 LEU 41 -4.883 -7.486 -6.792 304 HD23 LEU 41 HD23 LEU 41 -3.238 -7.406 -6.152 305 H PHE 42 H PHE 42 -3.439 -7.102 -1.673 306 HA PHE 42 HA PHE 42 -0.723 -7.009 -2.596 307 HB2 PHE 42 HB2 PHE 42 -2.045 -6.446 0.039 308 HB3 PHE 42 HB3 PHE 42 -0.286 -6.555 -0.093 309 HD1 PHE 42 HD1 PHE 42 0.911 -4.649 -0.630 310 HD2 PHE 42 HD2 PHE 42 -3.196 -4.919 -1.760 311 HE1 PHE 42 HE1 PHE 42 1.001 -2.353 -1.551 312 HE2 PHE 42 HE2 PHE 42 -3.088 -2.646 -2.674 313 HZ PHE 42 HZ PHE 42 -0.991 -1.386 -2.569 314 H SER 43 H SER 43 -2.796 -9.281 -1.041 315 HA SER 43 HA SER 43 -0.765 -11.079 -0.216 316 HB2 SER 43 HB2 SER 43 -3.174 -11.163 0.530 317 HB3 SER 43 HB3 SER 43 -3.580 -11.792 -1.065 318 HG SER 43 HG SER 43 -1.511 -13.140 0.106 319 H SER 44 H SER 44 -1.982 -10.134 -3.262 320 HA SER 44 HA SER 44 -1.424 -12.498 -4.722 321 HB2 SER 44 HB2 SER 44 -1.937 -11.271 -6.628 322 HB3 SER 44 HB3 SER 44 -2.806 -10.351 -5.399 323 HG SER 44 HG SER 44 -1.432 -8.741 -5.592 324 H ILE 45 H ILE 45 0.399 -9.619 -3.890 325 HA ILE 45 HA ILE 45 2.825 -10.308 -5.180 326 HB ILE 45 HB ILE 45 2.209 -8.580 -2.789 327 HG12 ILE 45 HG12 ILE 45 1.611 -7.966 -5.218 328 HG13 ILE 45 HG13 ILE 45 2.475 -6.773 -4.253 329 HG21 ILE 45 HG21 ILE 45 4.905 -9.007 -4.072 330 HG22 ILE 45 HG22 ILE 45 4.443 -9.446 -2.430 331 HG23 ILE 45 HG23 ILE 45 4.529 -7.744 -2.899 332 HD11 ILE 45 HD11 ILE 45 4.519 -7.272 -5.325 333 HD12 ILE 45 HD12 ILE 45 3.290 -7.034 -6.573 334 HD13 ILE 45 HD13 ILE 45 3.813 -8.663 -6.153 335 H GLY 46 H GLY 46 1.555 -10.985 -1.963 336 HA2 GLY 46 HA2 GLY 46 2.878 -13.393 -1.570 337 HA3 GLY 46 HA3 GLY 46 3.926 -12.134 -0.923 338 H GLU 47 H GLU 47 3.535 -13.211 1.165 339 HA GLU 47 HA GLU 47 0.887 -13.176 2.213 340 HB2 GLU 47 HB2 GLU 47 3.455 -14.096 3.116 341 HB3 GLU 47 HB3 GLU 47 2.546 -13.300 4.397 342 HG2 GLU 47 HG2 GLU 47 1.954 -15.778 2.914 343 HG3 GLU 47 HG3 GLU 47 1.741 -15.370 4.610 344 H VAL 48 H VAL 48 -0.060 -11.894 3.572 345 HA VAL 48 HA VAL 48 1.200 -9.271 4.061 346 HB VAL 48 HB VAL 48 -1.693 -9.896 3.438 347 HG11 VAL 48 HG11 VAL 48 -0.433 -7.375 4.481 348 HG12 VAL 48 HG12 VAL 48 -1.785 -8.281 5.164 349 HG13 VAL 48 HG13 VAL 48 -1.987 -7.400 3.649 350 HG21 VAL 48 HG21 VAL 48 0.312 -8.135 2.042 351 HG22 VAL 48 HG22 VAL 48 -1.361 -8.400 1.552 352 HG23 VAL 48 HG23 VAL 48 -0.205 -9.735 1.505 353 H GLU 49 H GLU 49 1.482 -8.742 5.979 354 HA GLU 49 HA GLU 49 0.857 -10.534 8.054 355 HB2 GLU 49 HB2 GLU 49 2.937 -9.288 7.948 356 HB3 GLU 49 HB3 GLU 49 2.047 -7.780 8.151 357 HG2 GLU 49 HG2 GLU 49 1.287 -8.521 10.330 358 HG3 GLU 49 HG3 GLU 49 2.094 -10.070 10.096 359 H SER 50 H SER 50 -0.162 -7.227 7.217 360 HA SER 50 HA SER 50 -2.822 -7.767 8.158 361 HB2 SER 50 HB2 SER 50 -2.864 -5.895 9.823 362 HB3 SER 50 HB3 SER 50 -1.861 -7.258 10.319 363 HG SER 50 HG SER 50 -0.245 -5.940 10.406 364 H ALA 51 H ALA 51 -4.240 -6.600 6.942 365 HA ALA 51 HA ALA 51 -3.152 -4.227 5.592 366 HB1 ALA 51 HB1 ALA 51 -3.412 -6.154 4.061 367 HB2 ALA 51 HB2 ALA 51 -4.339 -4.729 3.606 368 HB3 ALA 51 HB3 ALA 51 -5.152 -6.105 4.363 369 H LYS 52 H LYS 52 -4.070 -2.463 6.158 370 HA LYS 52 HA LYS 52 -6.734 -2.522 7.360 371 HB2 LYS 52 HB2 LYS 52 -4.881 -1.590 8.675 372 HB3 LYS 52 HB3 LYS 52 -4.543 -0.439 7.391 373 HG2 LYS 52 HG2 LYS 52 -6.923 0.392 7.753 374 HG3 LYS 52 HG3 LYS 52 -6.865 -0.518 9.267 375 HD2 LYS 52 HD2 LYS 52 -4.831 1.530 8.441 376 HD3 LYS 52 HD3 LYS 52 -6.207 1.880 9.490 377 HE2 LYS 52 HE2 LYS 52 -5.355 0.105 11.025 378 HE3 LYS 52 HE3 LYS 52 -3.918 0.002 10.012 379 HZ1 LYS 52 HZ1 LYS 52 -3.517 2.365 10.466 380 HZ2 LYS 52 HZ2 LYS 52 -3.493 1.433 11.874 381 HZ3 LYS 52 HZ3 LYS 52 -4.844 2.389 11.514 382 H LEU 53 H LEU 53 -8.410 -1.665 6.322 383 HA LEU 53 HA LEU 53 -7.960 0.106 4.009 384 HB2 LEU 53 HB2 LEU 53 -9.320 -1.758 3.404 385 HB3 LEU 53 HB3 LEU 53 -10.284 -1.610 4.857 386 HG LEU 53 HG LEU 53 -10.696 0.817 3.670 387 HD11 LEU 53 HD11 LEU 53 -11.308 0.343 1.343 388 HD12 LEU 53 HD12 LEU 53 -10.593 -1.279 1.489 389 HD13 LEU 53 HD13 LEU 53 -9.567 0.156 1.627 390 HD21 LEU 53 HD21 LEU 53 -12.906 -0.070 3.170 391 HD22 LEU 53 HD22 LEU 53 -12.341 -0.628 4.742 392 HD23 LEU 53 HD23 LEU 53 -12.299 -1.714 3.355 393 H ILE 54 H ILE 54 -8.675 2.187 4.105 394 HA ILE 54 HA ILE 54 -9.780 2.989 6.700 395 HB ILE 54 HB ILE 54 -8.549 4.759 4.617 396 HG12 ILE 54 HG12 ILE 54 -6.851 3.230 5.426 397 HG13 ILE 54 HG13 ILE 54 -6.562 4.820 6.114 398 HG21 ILE 54 HG21 ILE 54 -8.462 6.413 6.411 399 HG22 ILE 54 HG22 ILE 54 -9.181 5.251 7.526 400 HG23 ILE 54 HG23 ILE 54 -10.116 5.852 6.158 401 HD11 ILE 54 HD11 ILE 54 -6.211 3.004 7.722 402 HD12 ILE 54 HD12 ILE 54 -7.899 2.529 7.533 403 HD13 ILE 54 HD13 ILE 54 -7.501 4.103 8.222 404 H ARG 55 H ARG 55 -11.844 3.294 6.757 405 HA ARG 55 HA ARG 55 -13.131 4.665 4.498 406 HB2 ARG 55 HB2 ARG 55 -14.470 2.763 6.433 407 HB3 ARG 55 HB3 ARG 55 -15.221 3.579 5.072 408 HG2 ARG 55 HG2 ARG 55 -13.116 2.176 3.940 409 HG3 ARG 55 HG3 ARG 55 -13.793 1.079 5.150 410 HD2 ARG 55 HD2 ARG 55 -16.067 1.699 4.200 411 HD3 ARG 55 HD3 ARG 55 -15.190 2.421 2.860 412 HE ARG 55 HE ARG 55 -14.301 0.161 2.421 413 HH11 ARG 55 HH11 ARG 55 -17.252 0.529 4.273 414 HH12 ARG 55 HH12 ARG 55 -17.885 -1.016 3.801 415 HH21 ARG 55 HH21 ARG 55 -15.153 -1.845 1.770 416 HH22 ARG 55 HH22 ARG 55 -16.695 -2.367 2.374 417 H ASP 56 H ASP 56 -15.035 5.989 5.243 418 HA ASP 56 HA ASP 56 -14.272 7.681 7.371 419 HB2 ASP 56 HB2 ASP 56 -15.708 8.406 5.469 420 HB3 ASP 56 HB3 ASP 56 -17.007 7.439 6.145 421 H LYS 57 H LYS 57 -14.854 7.785 9.386 422 HA LYS 57 HA LYS 57 -15.480 5.526 10.835 423 HB2 LYS 57 HB2 LYS 57 -15.289 6.914 12.703 424 HB3 LYS 57 HB3 LYS 57 -14.162 7.505 11.515 425 HG2 LYS 57 HG2 LYS 57 -16.728 8.710 12.402 426 HG3 LYS 57 HG3 LYS 57 -15.118 9.382 12.516 427 HD2 LYS 57 HD2 LYS 57 -15.186 9.283 9.905 428 HD3 LYS 57 HD3 LYS 57 -16.937 9.191 10.133 429 HE2 LYS 57 HE2 LYS 57 -16.887 11.274 11.400 430 HE3 LYS 57 HE3 LYS 57 -15.133 11.355 11.235 431 HZ1 LYS 57 HZ1 LYS 57 -17.212 11.827 9.226 432 HZ2 LYS 57 HZ2 LYS 57 -15.721 11.220 8.708 433 HZ3 LYS 57 HZ3 LYS 57 -15.794 12.700 9.534 434 H VAL 58 H VAL 58 -17.573 7.542 9.206 435 HA VAL 58 HA VAL 58 -19.832 6.723 10.896 436 HB VAL 58 HB VAL 58 -19.288 9.370 9.569 437 HG11 VAL 58 HG11 VAL 58 -21.487 10.085 10.420 438 HG12 VAL 58 HG12 VAL 58 -21.846 8.408 10.832 439 HG13 VAL 58 HG13 VAL 58 -21.595 8.872 9.146 440 HG21 VAL 58 HG21 VAL 58 -18.344 8.695 11.825 441 HG22 VAL 58 HG22 VAL 58 -19.999 8.837 12.424 442 HG23 VAL 58 HG23 VAL 58 -19.189 10.239 11.719 443 H ALA 59 H ALA 59 -18.966 7.967 7.703 444 HA ALA 59 HA ALA 59 -21.428 7.074 6.576 445 HB1 ALA 59 HB1 ALA 59 -18.999 8.139 5.172 446 HB2 ALA 59 HB2 ALA 59 -20.318 9.114 5.824 447 HB3 ALA 59 HB3 ALA 59 -20.620 7.995 4.494 448 H GLY 60 H GLY 60 -18.618 5.511 7.265 449 HA2 GLY 60 HA2 GLY 60 -17.778 3.436 6.759 450 HA3 GLY 60 HA3 GLY 60 -19.402 3.048 6.218 451 H HIS 61 H HIS 61 -17.659 5.622 4.714 452 HA HIS 61 HA HIS 61 -17.522 4.025 2.259 453 HB2 HIS 61 HB2 HIS 61 -18.910 5.891 1.953 454 HB3 HIS 61 HB3 HIS 61 -17.803 6.984 2.760 455 HD1 HIS 61 HD1 HIS 61 -18.706 5.582 -0.523 456 HD2 HIS 61 HD2 HIS 61 -15.574 7.768 1.113 457 HE1 HIS 61 HE1 HIS 61 -17.471 6.559 -2.478 458 HE2 HIS 61 HE2 HIS 61 -15.528 7.809 -1.470 459 H SER 62 H SER 62 -15.658 3.648 1.275 460 HA SER 62 HA SER 62 -13.262 3.878 2.701 461 HB2 SER 62 HB2 SER 62 -13.580 2.156 0.987 462 HB3 SER 62 HB3 SER 62 -13.679 3.394 -0.264 463 HG SER 62 HG SER 62 -11.617 2.877 -0.388 464 H LEU 63 H LEU 63 -11.872 5.495 2.927 465 HA LEU 63 HA LEU 63 -12.485 8.013 1.670 466 HB2 LEU 63 HB2 LEU 63 -10.269 7.275 3.583 467 HB3 LEU 63 HB3 LEU 63 -10.702 8.907 3.106 468 HG LEU 63 HG LEU 63 -12.426 6.992 4.678 469 HD11 LEU 63 HD11 LEU 63 -11.069 9.560 5.467 470 HD12 LEU 63 HD12 LEU 63 -10.644 7.936 6.009 471 HD13 LEU 63 HD13 LEU 63 -12.195 8.642 6.468 472 HD21 LEU 63 HD21 LEU 63 -13.819 8.323 3.220 473 HD22 LEU 63 HD22 LEU 63 -12.998 9.797 3.733 474 HD23 LEU 63 HD23 LEU 63 -13.984 8.889 4.881 475 H GLY 64 H GLY 64 -10.513 5.373 0.987 476 HA2 GLY 64 HA2 GLY 64 -9.673 5.175 -1.229 477 HA3 GLY 64 HA3 GLY 64 -9.392 6.909 -1.246 478 H TYR 65 H TYR 65 -8.412 4.988 1.492 479 HA TYR 65 HA TYR 65 -5.829 4.393 0.415 480 HB2 TYR 65 HB2 TYR 65 -4.466 5.745 1.855 481 HB3 TYR 65 HB3 TYR 65 -5.575 6.802 1.000 482 HD1 TYR 65 HD1 TYR 65 -4.208 5.908 4.109 483 HD2 TYR 65 HD2 TYR 65 -7.714 7.503 2.308 484 HE1 TYR 65 HE1 TYR 65 -4.840 6.915 6.247 485 HE2 TYR 65 HE2 TYR 65 -8.358 8.515 4.448 486 HH TYR 65 HH TYR 65 -6.257 8.864 7.031 487 H GLY 66 H GLY 66 -4.410 3.333 2.036 488 HA2 GLY 66 HA2 GLY 66 -5.586 2.339 4.450 489 HA3 GLY 66 HA3 GLY 66 -5.588 1.147 3.166 490 H PHE 67 H PHE 67 -4.225 0.186 5.039 491 HA PHE 67 HA PHE 67 -1.397 0.755 4.494 492 HB2 PHE 67 HB2 PHE 67 -2.594 0.545 7.269 493 HB3 PHE 67 HB3 PHE 67 -0.882 0.690 6.909 494 HD1 PHE 67 HD1 PHE 67 0.098 2.795 6.425 495 HD2 PHE 67 HD2 PHE 67 -4.113 2.453 6.889 496 HE1 PHE 67 HE1 PHE 67 -0.084 5.246 6.560 497 HE2 PHE 67 HE2 PHE 67 -4.306 4.899 7.024 498 HZ PHE 67 HZ PHE 67 -2.288 6.298 6.859 499 H VAL 68 H VAL 68 -0.811 -1.196 3.644 500 HA VAL 68 HA VAL 68 -1.555 -3.562 5.178 501 HB VAL 68 HB VAL 68 -2.298 -4.357 3.259 502 HG11 VAL 68 HG11 VAL 68 -0.687 -2.318 1.776 503 HG12 VAL 68 HG12 VAL 68 -2.376 -2.185 2.271 504 HG13 VAL 68 HG13 VAL 68 -1.901 -3.388 1.071 505 HG21 VAL 68 HG21 VAL 68 -0.675 -5.360 1.689 506 HG22 VAL 68 HG22 VAL 68 -0.305 -5.715 3.375 507 HG23 VAL 68 HG23 VAL 68 0.620 -4.486 2.509 508 H ASN 69 H ASN 69 -0.113 -4.262 6.457 509 HA ASN 69 HA ASN 69 2.717 -3.817 6.000 510 HB2 ASN 69 HB2 ASN 69 1.517 -3.645 8.274 511 HB3 ASN 69 HB3 ASN 69 1.470 -5.393 8.243 512 HD21 ASN 69 HD21 ASN 69 3.316 -6.554 8.593 513 HD22 ASN 69 HD22 ASN 69 4.792 -5.837 9.115 514 H TYR 70 H TYR 70 3.918 -5.248 4.958 515 HA TYR 70 HA TYR 70 2.876 -7.890 4.396 516 HB2 TYR 70 HB2 TYR 70 5.222 -6.269 3.494 517 HB3 TYR 70 HB3 TYR 70 5.292 -8.011 3.319 518 HD1 TYR 70 HD1 TYR 70 4.099 -4.943 1.892 519 HD2 TYR 70 HD2 TYR 70 3.487 -9.153 1.991 520 HE1 TYR 70 HE1 TYR 70 2.882 -4.821 -0.233 521 HE2 TYR 70 HE2 TYR 70 2.275 -9.034 -0.135 522 HH TYR 70 HH TYR 70 1.168 -7.553 -1.529 523 H VAL 71 H VAL 71 4.377 -9.761 4.580 524 HA VAL 71 HA VAL 71 5.473 -9.908 7.258 525 HB VAL 71 HB VAL 71 5.849 -12.277 6.767 526 HG11 VAL 71 HG11 VAL 71 3.656 -11.668 7.562 527 HG12 VAL 71 HG12 VAL 71 3.479 -12.927 6.331 528 HG13 VAL 71 HG13 VAL 71 3.141 -11.241 5.928 529 HG21 VAL 71 HG21 VAL 71 4.839 -11.641 3.995 530 HG22 VAL 71 HG22 VAL 71 5.199 -13.249 4.621 531 HG23 VAL 71 HG23 VAL 71 6.495 -12.072 4.418 532 H THR 72 H THR 72 6.483 -9.141 4.161 533 HA THR 72 HA THR 72 9.330 -9.326 4.880 534 HB THR 72 HB THR 72 9.555 -9.482 2.271 535 HG1 THR 72 HG1 THR 72 7.801 -10.832 1.443 536 HG21 THR 72 HG21 THR 72 9.732 -11.885 2.370 537 HG22 THR 72 HG22 THR 72 8.775 -11.926 3.862 538 HG23 THR 72 HG23 THR 72 10.377 -11.179 3.857 539 H ALA 73 H ALA 73 10.549 -7.553 4.294 540 HA ALA 73 HA ALA 73 9.181 -5.233 3.212 541 HB1 ALA 73 HB1 ALA 73 11.416 -4.146 3.412 542 HB2 ALA 73 HB2 ALA 73 12.060 -5.676 4.015 543 HB3 ALA 73 HB3 ALA 73 10.815 -4.817 4.928 544 H LYS 74 H LYS 74 10.843 -7.941 2.185 545 HA LYS 74 HA LYS 74 11.844 -7.143 -0.329 546 HB2 LYS 74 HB2 LYS 74 12.623 -9.167 0.589 547 HB3 LYS 74 HB3 LYS 74 11.001 -9.750 0.900 548 HG2 LYS 74 HG2 LYS 74 11.395 -9.268 -1.904 549 HG3 LYS 74 HG3 LYS 74 12.622 -10.361 -1.258 550 HD2 LYS 74 HD2 LYS 74 11.065 -11.937 -0.599 551 HD3 LYS 74 HD3 LYS 74 9.747 -10.761 -0.547 552 HE2 LYS 74 HE2 LYS 74 9.828 -10.574 -2.984 553 HE3 LYS 74 HE3 LYS 74 11.125 -11.769 -3.032 554 HZ1 LYS 74 HZ1 LYS 74 9.583 -13.379 -2.035 555 HZ2 LYS 74 HZ2 LYS 74 9.031 -12.812 -3.526 556 HZ3 LYS 74 HZ3 LYS 74 8.341 -12.229 -2.092 557 H ASP 75 H ASP 75 8.776 -8.684 0.599 558 HA ASP 75 HA ASP 75 7.695 -8.402 -2.057 559 HB2 ASP 75 HB2 ASP 75 6.493 -9.323 0.558 560 HB3 ASP 75 HB3 ASP 75 5.553 -9.197 -0.924 561 H ALA 76 H ALA 76 7.914 -6.403 0.705 562 HA ALA 76 HA ALA 76 5.719 -4.681 0.239 563 HB1 ALA 76 HB1 ALA 76 6.927 -4.544 2.320 564 HB2 ALA 76 HB2 ALA 76 7.076 -2.994 1.489 565 HB3 ALA 76 HB3 ALA 76 8.423 -4.131 1.481 566 H GLU 77 H GLU 77 9.151 -4.229 -0.669 567 HA GLU 77 HA GLU 77 8.776 -2.168 -2.530 568 HB2 GLU 77 HB2 GLU 77 10.987 -2.719 -1.793 569 HB3 GLU 77 HB3 GLU 77 10.828 -4.383 -2.336 570 HG2 GLU 77 HG2 GLU 77 10.829 -3.661 -4.638 571 HG3 GLU 77 HG3 GLU 77 10.906 -1.973 -4.138 572 H ARG 78 H ARG 78 8.328 -5.614 -2.779 573 HA ARG 78 HA ARG 78 8.179 -5.802 -5.586 574 HB2 ARG 78 HB2 ARG 78 8.541 -7.655 -3.915 575 HB3 ARG 78 HB3 ARG 78 6.828 -7.561 -3.551 576 HG2 ARG 78 HG2 ARG 78 6.269 -8.232 -5.783 577 HG3 ARG 78 HG3 ARG 78 7.969 -8.190 -6.258 578 HD2 ARG 78 HD2 ARG 78 8.445 -9.914 -4.559 579 HD3 ARG 78 HD3 ARG 78 6.726 -9.996 -4.192 580 HE ARG 78 HE ARG 78 7.450 -10.495 -6.956 581 HH11 ARG 78 HH11 ARG 78 6.668 -11.803 -3.807 582 HH12 ARG 78 HH12 ARG 78 6.399 -13.414 -4.401 583 HH21 ARG 78 HH21 ARG 78 7.096 -12.620 -7.746 584 HH22 ARG 78 HH22 ARG 78 6.640 -13.876 -6.641 585 H ALA 79 H ALA 79 5.808 -5.156 -3.043 586 HA ALA 79 HA ALA 79 3.576 -5.122 -4.805 587 HB1 ALA 79 HB1 ALA 79 2.397 -3.950 -2.940 588 HB2 ALA 79 HB2 ALA 79 3.928 -3.930 -2.050 589 HB3 ALA 79 HB3 ALA 79 3.170 -5.469 -2.468 590 H ILE 80 H ILE 80 5.879 -2.709 -3.694 591 HA ILE 80 HA ILE 80 4.451 -0.485 -4.714 592 HB ILE 80 HB ILE 80 7.400 -0.665 -4.279 593 HG12 ILE 80 HG12 ILE 80 5.227 0.221 -2.369 594 HG13 ILE 80 HG13 ILE 80 6.041 -1.336 -2.295 595 HG21 ILE 80 HG21 ILE 80 5.486 1.662 -4.366 596 HG22 ILE 80 HG22 ILE 80 6.685 1.245 -5.595 597 HG23 ILE 80 HG23 ILE 80 7.210 1.759 -3.985 598 HD11 ILE 80 HD11 ILE 80 7.358 1.338 -1.997 599 HD12 ILE 80 HD12 ILE 80 8.144 -0.236 -1.875 600 HD13 ILE 80 HD13 ILE 80 6.932 0.241 -0.685 601 H ASN 81 H ASN 81 6.783 -2.651 -6.215 602 HA ASN 81 HA ASN 81 6.840 -0.889 -8.510 603 HB2 ASN 81 HB2 ASN 81 8.387 -2.586 -9.484 604 HB3 ASN 81 HB3 ASN 81 8.924 -1.855 -7.972 605 HD21 ASN 81 HD21 ASN 81 10.183 -3.340 -7.136 606 HD22 ASN 81 HD22 ASN 81 9.705 -4.957 -6.752 607 H THR 82 H THR 82 5.341 -3.846 -7.523 608 HA THR 82 HA THR 82 4.379 -4.390 -10.189 609 HB THR 82 HB THR 82 4.253 -5.835 -7.582 610 HG1 THR 82 HG1 THR 82 6.117 -5.998 -8.928 611 HG21 THR 82 HG21 THR 82 2.667 -6.455 -10.063 612 HG22 THR 82 HG22 THR 82 2.090 -6.313 -8.395 613 HG23 THR 82 HG23 THR 82 3.084 -7.691 -8.875 614 H LEU 83 H LEU 83 2.900 -3.845 -6.983 615 HA LEU 83 HA LEU 83 0.258 -3.835 -8.130 616 HB2 LEU 83 HB2 LEU 83 1.280 -3.528 -5.348 617 HB3 LEU 83 HB3 LEU 83 -0.420 -3.427 -5.731 618 HG LEU 83 HG LEU 83 1.398 -5.821 -6.026 619 HD11 LEU 83 HD11 LEU 83 0.736 -5.835 -3.842 620 HD12 LEU 83 HD12 LEU 83 -0.610 -6.719 -4.582 621 HD13 LEU 83 HD13 LEU 83 -0.781 -5.008 -4.180 622 HD21 LEU 83 HD21 LEU 83 -1.445 -5.476 -6.951 623 HD22 LEU 83 HD22 LEU 83 -0.632 -7.033 -6.784 624 HD23 LEU 83 HD23 LEU 83 -0.035 -5.842 -7.945 625 H ASN 84 H ASN 84 2.545 -1.446 -7.047 626 HA ASN 84 HA ASN 84 0.707 0.650 -6.640 627 HB2 ASN 84 HB2 ASN 84 2.964 0.712 -5.777 628 HB3 ASN 84 HB3 ASN 84 3.628 0.646 -7.402 629 HD21 ASN 84 HD21 ASN 84 4.807 2.483 -6.864 630 HD22 ASN 84 HD22 ASN 84 4.088 4.042 -6.890 631 H GLY 85 H GLY 85 -0.637 1.445 -8.068 632 HA2 GLY 85 HA2 GLY 85 -1.277 2.457 -10.101 633 HA3 GLY 85 HA3 GLY 85 0.138 1.767 -10.876 634 H LEU 86 H LEU 86 -1.924 -0.132 -8.817 635 HA LEU 86 HA LEU 86 -2.505 -1.920 -11.032 636 HB2 LEU 86 HB2 LEU 86 -2.067 -2.256 -8.295 637 HB3 LEU 86 HB3 LEU 86 -3.780 -2.557 -8.496 638 HG LEU 86 HG LEU 86 -2.453 -4.618 -8.565 639 HD11 LEU 86 HD11 LEU 86 -4.563 -4.522 -9.783 640 HD12 LEU 86 HD12 LEU 86 -3.395 -5.565 -10.594 641 HD13 LEU 86 HD13 LEU 86 -3.712 -3.947 -11.215 642 HD21 LEU 86 HD21 LEU 86 -0.818 -5.066 -10.157 643 HD22 LEU 86 HD22 LEU 86 -0.477 -3.404 -9.665 644 HD23 LEU 86 HD23 LEU 86 -1.314 -3.722 -11.183 645 H ARG 87 H ARG 87 -4.580 -2.494 -11.696 646 HA ARG 87 HA ARG 87 -6.608 -0.480 -11.229 647 HB2 ARG 87 HB2 ARG 87 -6.452 -2.822 -13.116 648 HB3 ARG 87 HB3 ARG 87 -7.883 -1.810 -12.960 649 HG2 ARG 87 HG2 ARG 87 -5.158 -0.771 -13.674 650 HG3 ARG 87 HG3 ARG 87 -6.396 -1.200 -14.856 651 HD2 ARG 87 HD2 ARG 87 -7.893 0.469 -13.920 652 HD3 ARG 87 HD3 ARG 87 -6.709 0.859 -12.673 653 HE ARG 87 HE ARG 87 -5.313 1.316 -14.909 654 HH11 ARG 87 HH11 ARG 87 -8.548 2.298 -13.971 655 HH12 ARG 87 HH12 ARG 87 -8.480 3.796 -14.844 656 HH21 ARG 87 HH21 ARG 87 -5.231 3.288 -16.065 657 HH22 ARG 87 HH22 ARG 87 -6.595 4.359 -16.029 658 H LEU 88 H LEU 88 -7.143 -0.898 -9.103 659 HA LEU 88 HA LEU 88 -8.432 -3.431 -8.479 660 HB2 LEU 88 HB2 LEU 88 -7.363 -1.170 -6.962 661 HB3 LEU 88 HB3 LEU 88 -8.886 -1.786 -6.350 662 HG LEU 88 HG LEU 88 -6.440 -3.488 -6.816 663 HD11 LEU 88 HD11 LEU 88 -6.275 -1.711 -5.002 664 HD12 LEU 88 HD12 LEU 88 -6.008 -3.384 -4.512 665 HD13 LEU 88 HD13 LEU 88 -7.552 -2.601 -4.173 666 HD21 LEU 88 HD21 LEU 88 -8.569 -4.677 -6.967 667 HD22 LEU 88 HD22 LEU 88 -9.049 -4.018 -5.403 668 HD23 LEU 88 HD23 LEU 88 -7.686 -5.135 -5.511 669 H GLN 89 H GLN 89 -10.376 -3.589 -9.392 670 HA GLN 89 HA GLN 89 -12.524 -3.142 -9.980 671 HB2 GLN 89 HB2 GLN 89 -12.370 -1.227 -7.681 672 HB3 GLN 89 HB3 GLN 89 -13.855 -1.813 -8.413 673 HG2 GLN 89 HG2 GLN 89 -13.254 -4.099 -7.731 674 HG3 GLN 89 HG3 GLN 89 -11.807 -3.460 -6.958 675 HE21 GLN 89 HE21 GLN 89 -13.170 -1.070 -6.018 676 HE22 GLN 89 HE22 GLN 89 -14.166 -1.566 -4.695 677 H SER 90 H SER 90 -10.449 -1.738 -11.228 678 HA SER 90 HA SER 90 -10.351 -0.345 -13.037 679 HB2 SER 90 HB2 SER 90 -12.907 -0.450 -12.985 680 HB3 SER 90 HB3 SER 90 -12.838 1.082 -12.121 681 HG SER 90 HG SER 90 -11.976 0.501 -14.755 682 H LYS 91 H LYS 91 -10.335 0.428 -9.847 683 HA LYS 91 HA LYS 91 -9.524 3.209 -10.177 684 HB2 LYS 91 HB2 LYS 91 -10.890 2.737 -8.302 685 HB3 LYS 91 HB3 LYS 91 -9.864 1.458 -7.758 686 HG2 LYS 91 HG2 LYS 91 -9.731 3.433 -6.371 687 HG3 LYS 91 HG3 LYS 91 -8.200 3.091 -7.151 688 HD2 LYS 91 HD2 LYS 91 -8.458 4.824 -8.661 689 HD3 LYS 91 HD3 LYS 91 -10.189 4.978 -8.344 690 HE2 LYS 91 HE2 LYS 91 -9.708 5.756 -6.092 691 HE3 LYS 91 HE3 LYS 91 -7.987 5.579 -6.396 692 HZ1 LYS 91 HZ1 LYS 91 -9.824 7.448 -7.790 693 HZ2 LYS 91 HZ2 LYS 91 -8.176 7.277 -8.134 694 HZ3 LYS 91 HZ3 LYS 91 -8.671 7.873 -6.631 695 H THR 92 H THR 92 -7.512 3.936 -9.956 696 HA THR 92 HA THR 92 -5.426 1.875 -9.936 697 HB THR 92 HB THR 92 -4.548 4.603 -10.522 698 HG1 THR 92 HG1 THR 92 -6.760 3.673 -11.733 699 HG21 THR 92 HG21 THR 92 -3.074 2.674 -10.738 700 HG22 THR 92 HG22 THR 92 -3.332 3.428 -12.312 701 HG23 THR 92 HG23 THR 92 -4.184 1.941 -11.896 702 H ILE 93 H ILE 93 -4.361 1.555 -8.206 703 HA ILE 93 HA ILE 93 -4.593 3.421 -5.979 704 HB ILE 93 HB ILE 93 -3.979 1.502 -4.612 705 HG12 ILE 93 HG12 ILE 93 -3.735 0.033 -7.250 706 HG13 ILE 93 HG13 ILE 93 -2.375 0.554 -6.266 707 HG21 ILE 93 HG21 ILE 93 -5.990 0.255 -4.939 708 HG22 ILE 93 HG22 ILE 93 -5.988 0.578 -6.675 709 HG23 ILE 93 HG23 ILE 93 -6.349 1.881 -5.542 710 HD11 ILE 93 HD11 ILE 93 -2.716 -1.747 -5.895 711 HD12 ILE 93 HD12 ILE 93 -4.437 -1.506 -5.602 712 HD13 ILE 93 HD13 ILE 93 -3.251 -0.895 -4.447 713 H LYS 94 H LYS 94 -2.638 3.569 -4.504 714 HA LYS 94 HA LYS 94 -0.120 3.324 -5.990 715 HB2 LYS 94 HB2 LYS 94 -0.994 5.663 -6.203 716 HB3 LYS 94 HB3 LYS 94 -0.875 5.813 -4.458 717 HG2 LYS 94 HG2 LYS 94 1.527 5.434 -4.583 718 HG3 LYS 94 HG3 LYS 94 1.408 5.288 -6.343 719 HD2 LYS 94 HD2 LYS 94 0.681 7.739 -4.731 720 HD3 LYS 94 HD3 LYS 94 2.144 7.532 -5.694 721 HE2 LYS 94 HE2 LYS 94 0.868 7.428 -7.724 722 HE3 LYS 94 HE3 LYS 94 -0.648 7.414 -6.827 723 HZ1 LYS 94 HZ1 LYS 94 1.269 9.674 -6.720 724 HZ2 LYS 94 HZ2 LYS 94 -0.323 9.648 -6.155 725 HZ3 LYS 94 HZ3 LYS 94 -0.012 9.600 -7.818 726 H VAL 95 H VAL 95 1.025 1.985 -4.810 727 HA VAL 95 HA VAL 95 0.717 2.034 -1.910 728 HB VAL 95 HB VAL 95 0.783 -0.164 -1.931 729 HG11 VAL 95 HG11 VAL 95 1.005 0.054 -4.913 730 HG12 VAL 95 HG12 VAL 95 -0.486 0.101 -3.968 731 HG13 VAL 95 HG13 VAL 95 0.487 -1.380 -4.022 732 HG21 VAL 95 HG21 VAL 95 3.321 0.137 -3.465 733 HG22 VAL 95 HG22 VAL 95 2.655 -1.441 -3.051 734 HG23 VAL 95 HG23 VAL 95 3.099 -0.305 -1.775 735 H SER 96 H SER 96 2.440 2.163 -0.532 736 HA SER 96 HA SER 96 5.136 2.559 -1.451 737 HB2 SER 96 HB2 SER 96 3.581 4.869 -0.232 738 HB3 SER 96 HB3 SER 96 5.314 4.860 -0.547 739 HG SER 96 HG SER 96 3.816 4.180 -2.739 740 H TYR 97 H TYR 97 6.356 3.500 0.658 741 HA TYR 97 HA TYR 97 5.787 1.685 2.837 742 HB2 TYR 97 HB2 TYR 97 7.835 3.821 2.349 743 HB3 TYR 97 HB3 TYR 97 7.670 2.998 3.899 744 HD1 TYR 97 HD1 TYR 97 8.831 2.709 0.481 745 HD2 TYR 97 HD2 TYR 97 8.009 0.618 4.078 746 HE1 TYR 97 HE1 TYR 97 10.223 0.859 -0.307 747 HE2 TYR 97 HE2 TYR 97 9.401 -1.257 3.336 748 HH TYR 97 HH TYR 97 11.448 -1.042 0.549 749 H ALA 98 H ALA 98 4.294 2.109 4.308 750 HA ALA 98 HA ALA 98 3.376 4.798 4.767 751 HB1 ALA 98 HB1 ALA 98 1.925 2.708 4.931 752 HB2 ALA 98 HB2 ALA 98 1.786 3.863 6.254 753 HB3 ALA 98 HB3 ALA 98 2.734 2.390 6.468 754 H ARG 99 H ARG 99 4.714 6.122 5.834 755 HA ARG 99 HA ARG 99 7.008 5.384 7.162 756 HB2 ARG 99 HB2 ARG 99 6.918 7.703 8.198 757 HB3 ARG 99 HB3 ARG 99 6.895 7.615 6.445 758 HG2 ARG 99 HG2 ARG 99 4.251 7.675 7.733 759 HG3 ARG 99 HG3 ARG 99 5.227 9.135 7.925 760 HD2 ARG 99 HD2 ARG 99 4.593 7.798 5.295 761 HD3 ARG 99 HD3 ARG 99 3.772 9.221 5.935 762 HE ARG 99 HE ARG 99 6.311 10.036 5.948 763 HH11 ARG 99 HH11 ARG 99 4.454 8.429 3.453 764 HH12 ARG 99 HH12 ARG 99 5.336 9.160 2.152 765 HH21 ARG 99 HH21 ARG 99 7.477 10.985 4.242 766 HH22 ARG 99 HH22 ARG 99 7.053 10.614 2.601 767 HA PRO 100 HA PRO 100 5.328 3.446 10.855 768 HB2 PRO 100 HB2 PRO 100 8.234 3.691 11.506 769 HB3 PRO 100 HB3 PRO 100 7.157 2.305 11.674 770 HG2 PRO 100 HG2 PRO 100 8.894 2.396 9.681 771 HG3 PRO 100 HG3 PRO 100 7.250 1.779 9.417 772 HD2 PRO 100 HD2 PRO 100 8.439 4.401 8.648 773 HD3 PRO 100 HD3 PRO 100 7.248 3.406 7.792 774 H SER 101 H SER 101 4.667 4.269 12.744 775 HA SER 101 HA SER 101 4.225 5.729 14.400 776 HB2 SER 101 HB2 SER 101 6.518 5.196 15.056 777 HB3 SER 101 HB3 SER 101 7.120 6.484 14.028 778 HG SER 101 HG SER 101 6.760 7.814 15.607 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 14.141 5.442 -17.526 2 H2 GLY 1 H2 GLY 1 13.426 4.658 -18.839 3 H3 GLY 1 H3 GLY 1 12.510 5.013 -17.467 4 HA2 GLY 1 HA2 GLY 1 13.706 7.002 -19.306 5 HA3 GLY 1 HA3 GLY 1 12.007 6.551 -19.254 6 H HIS 2 H HIS 2 11.472 8.737 -18.804 7 HA HIS 2 HA HIS 2 12.435 9.996 -16.405 8 HB2 HIS 2 HB2 HIS 2 11.760 11.294 -18.408 9 HB3 HIS 2 HB3 HIS 2 10.107 10.740 -18.194 10 HD1 HIS 2 HD1 HIS 2 12.638 13.101 -16.772 11 HD2 HIS 2 HD2 HIS 2 8.662 12.044 -16.185 12 HE1 HIS 2 HE1 HIS 2 11.684 14.872 -15.267 13 HE2 HIS 2 HE2 HIS 2 9.308 14.158 -14.844 14 H MET 3 H MET 3 11.917 8.798 -14.640 15 HA MET 3 HA MET 3 9.437 7.519 -14.212 16 HB2 MET 3 HB2 MET 3 11.440 6.849 -13.001 17 HB3 MET 3 HB3 MET 3 11.529 8.424 -12.227 18 HG2 MET 3 HG2 MET 3 9.370 7.974 -11.127 19 HG3 MET 3 HG3 MET 3 9.366 6.367 -11.850 20 HE1 MET 3 HE1 MET 3 12.519 4.744 -10.167 21 HE2 MET 3 HE2 MET 3 12.548 5.697 -11.650 22 HE3 MET 3 HE3 MET 3 11.239 4.550 -11.366 23 H SER 4 H SER 4 7.580 8.572 -14.120 24 HA SER 4 HA SER 4 7.410 11.252 -13.061 25 HB2 SER 4 HB2 SER 4 4.945 10.939 -13.575 26 HB3 SER 4 HB3 SER 4 6.027 10.797 -14.961 27 HG SER 4 HG SER 4 5.549 8.740 -15.144 28 H ASN 5 H ASN 5 6.265 8.030 -12.254 29 HA ASN 5 HA ASN 5 5.677 7.008 -10.341 30 HB2 ASN 5 HB2 ASN 5 7.803 7.956 -9.482 31 HB3 ASN 5 HB3 ASN 5 6.920 9.368 -8.917 32 HD21 ASN 5 HD21 ASN 5 7.139 9.176 -6.787 33 HD22 ASN 5 HD22 ASN 5 6.596 7.827 -5.848 34 H GLY 6 H GLY 6 5.273 10.326 -9.101 35 HA2 GLY 6 HA2 GLY 6 3.189 11.514 -9.238 36 HA3 GLY 6 HA3 GLY 6 2.357 9.970 -9.341 37 H TYR 7 H TYR 7 4.368 9.125 -7.133 38 HA TYR 7 HA TYR 7 2.844 10.308 -4.904 39 HB2 TYR 7 HB2 TYR 7 3.935 7.584 -4.507 40 HB3 TYR 7 HB3 TYR 7 2.398 8.272 -3.999 41 HD1 TYR 7 HD1 TYR 7 4.130 6.357 -6.516 42 HD2 TYR 7 HD2 TYR 7 0.466 8.332 -5.595 43 HE1 TYR 7 HE1 TYR 7 3.018 5.142 -8.342 44 HE2 TYR 7 HE2 TYR 7 -0.649 7.119 -7.420 45 HH TYR 7 HH TYR 7 -0.052 5.993 -9.516 46 H GLU 8 H GLU 8 4.759 11.768 -5.152 47 HA GLU 8 HA GLU 8 7.326 10.706 -4.448 48 HB2 GLU 8 HB2 GLU 8 6.336 13.511 -4.912 49 HB3 GLU 8 HB3 GLU 8 7.973 13.167 -4.372 50 HG2 GLU 8 HG2 GLU 8 8.002 13.471 -6.730 51 HG3 GLU 8 HG3 GLU 8 8.302 11.783 -6.372 52 H ASP 9 H ASP 9 7.816 10.148 -2.488 53 HA ASP 9 HA ASP 9 7.784 11.968 -0.346 54 HB2 ASP 9 HB2 ASP 9 6.186 10.776 1.173 55 HB3 ASP 9 HB3 ASP 9 5.423 11.617 -0.171 56 H HIS 10 H HIS 10 9.084 9.383 -1.760 57 HA HIS 10 HA HIS 10 10.514 8.613 0.615 58 HB2 HIS 10 HB2 HIS 10 9.871 6.260 0.649 59 HB3 HIS 10 HB3 HIS 10 8.446 7.267 0.846 60 HD1 HIS 10 HD1 HIS 10 6.724 7.311 -1.129 61 HD2 HIS 10 HD2 HIS 10 9.913 4.681 -1.650 62 HE1 HIS 10 HE1 HIS 10 6.099 5.851 -3.095 63 HE2 HIS 10 HE2 HIS 10 8.113 4.384 -3.481 64 H MET 11 H MET 11 10.852 9.382 -2.400 65 HA MET 11 HA MET 11 12.665 7.146 -3.026 66 HB2 MET 11 HB2 MET 11 11.856 9.140 -5.106 67 HB3 MET 11 HB3 MET 11 12.361 7.475 -5.305 68 HG2 MET 11 HG2 MET 11 10.082 7.516 -5.841 69 HG3 MET 11 HG3 MET 11 10.177 6.807 -4.230 70 HE1 MET 11 HE1 MET 11 9.462 10.157 -6.225 71 HE2 MET 11 HE2 MET 11 10.716 10.555 -5.053 72 HE3 MET 11 HE3 MET 11 9.104 11.244 -4.882 73 H ALA 12 H ALA 12 12.374 10.656 -3.562 74 HA ALA 12 HA ALA 12 15.260 10.816 -3.864 75 HB1 ALA 12 HB1 ALA 12 13.806 11.961 -5.479 76 HB2 ALA 12 HB2 ALA 12 14.880 13.077 -4.638 77 HB3 ALA 12 HB3 ALA 12 13.181 12.972 -4.177 78 H GLU 13 H GLU 13 13.211 10.881 -1.281 79 HA GLU 13 HA GLU 13 14.930 12.816 0.129 80 HB2 GLU 13 HB2 GLU 13 12.998 13.374 1.550 81 HB3 GLU 13 HB3 GLU 13 12.704 13.746 -0.142 82 HG2 GLU 13 HG2 GLU 13 11.556 11.467 -0.251 83 HG3 GLU 13 HG3 GLU 13 11.571 11.523 1.510 84 H ASP 14 H ASP 14 14.859 9.792 -0.247 85 HA ASP 14 HA ASP 14 15.378 7.915 0.932 86 HB2 ASP 14 HB2 ASP 14 16.340 10.097 2.629 87 HB3 ASP 14 HB3 ASP 14 15.975 8.608 3.497 88 H CYS 15 H CYS 15 14.363 9.718 3.741 89 HA CYS 15 HA CYS 15 12.740 9.426 5.283 90 HB2 CYS 15 HB2 CYS 15 11.513 7.968 2.994 91 HB3 CYS 15 HB3 CYS 15 10.708 8.086 4.561 92 HG CYS 15 HG CYS 15 9.818 9.940 2.437 93 H ARG 16 H ARG 16 11.533 7.596 6.479 94 HA ARG 16 HA ARG 16 13.440 5.514 7.036 95 HB2 ARG 16 HB2 ARG 16 10.675 5.965 8.189 96 HB3 ARG 16 HB3 ARG 16 11.866 4.826 8.799 97 HG2 ARG 16 HG2 ARG 16 12.113 6.583 10.250 98 HG3 ARG 16 HG3 ARG 16 13.361 6.934 9.057 99 HD2 ARG 16 HD2 ARG 16 12.202 8.971 9.521 100 HD3 ARG 16 HD3 ARG 16 11.726 8.438 7.908 101 HE ARG 16 HE ARG 16 9.930 7.498 9.924 102 HH11 ARG 16 HH11 ARG 16 10.735 10.299 7.969 103 HH12 ARG 16 HH12 ARG 16 9.143 10.978 8.078 104 HH21 ARG 16 HH21 ARG 16 7.856 8.401 10.073 105 HH22 ARG 16 HH22 ARG 16 7.506 9.902 9.269 106 H GLY 17 H GLY 17 13.161 4.851 4.690 107 HA2 GLY 17 HA2 GLY 17 10.922 2.936 4.488 108 HA3 GLY 17 HA3 GLY 17 11.392 3.955 3.134 109 H ASP 18 H ASP 18 13.821 2.615 5.235 110 HA ASP 18 HA ASP 18 14.242 0.294 3.551 111 HB2 ASP 18 HB2 ASP 18 15.416 2.374 2.511 112 HB3 ASP 18 HB3 ASP 18 16.565 2.181 3.831 113 H ILE 19 H ILE 19 13.579 0.844 6.282 114 HA ILE 19 HA ILE 19 15.934 0.000 7.781 115 HB ILE 19 HB ILE 19 13.597 0.196 9.413 116 HG12 ILE 19 HG12 ILE 19 13.821 2.896 8.822 117 HG13 ILE 19 HG13 ILE 19 13.751 2.126 7.247 118 HG21 ILE 19 HG21 ILE 19 16.064 1.908 9.234 119 HG22 ILE 19 HG22 ILE 19 15.901 0.421 10.167 120 HG23 ILE 19 HG23 ILE 19 14.947 1.839 10.596 121 HD11 ILE 19 HD11 ILE 19 11.540 2.768 8.008 122 HD12 ILE 19 HD12 ILE 19 11.737 1.774 9.449 123 HD13 ILE 19 HD13 ILE 19 11.679 1.018 7.859 124 H GLY 20 H GLY 20 12.527 -0.727 8.053 125 HA2 GLY 20 HA2 GLY 20 12.833 -3.507 7.289 126 HA3 GLY 20 HA3 GLY 20 12.395 -3.243 8.982 127 H ARG 21 H ARG 21 11.571 -1.549 6.035 128 HA ARG 21 HA ARG 21 8.926 -1.066 6.948 129 HB2 ARG 21 HB2 ARG 21 8.796 -0.220 4.412 130 HB3 ARG 21 HB3 ARG 21 9.478 0.725 5.724 131 HG2 ARG 21 HG2 ARG 21 10.940 0.849 3.851 132 HG3 ARG 21 HG3 ARG 21 11.716 -0.104 5.108 133 HD2 ARG 21 HD2 ARG 21 11.211 -2.149 3.937 134 HD3 ARG 21 HD3 ARG 21 10.254 -1.273 2.745 135 HE ARG 21 HE ARG 21 12.810 -0.187 2.686 136 HH11 ARG 21 HH11 ARG 21 11.247 -3.229 1.970 137 HH12 ARG 21 HH12 ARG 21 12.462 -3.745 0.850 138 HH21 ARG 21 HH21 ARG 21 14.425 -0.847 1.192 139 HH22 ARG 21 HH22 ARG 21 14.250 -2.374 0.378 140 H THR 22 H THR 22 7.940 -3.026 7.176 141 HA THR 22 HA THR 22 7.356 -4.527 4.734 142 HB THR 22 HB THR 22 6.270 -6.142 6.290 143 HG1 THR 22 HG1 THR 22 5.662 -4.768 7.976 144 HG21 THR 22 HG21 THR 22 9.080 -5.355 7.077 145 HG22 THR 22 HG22 THR 22 8.639 -6.415 5.736 146 HG23 THR 22 HG23 THR 22 8.321 -6.917 7.396 147 H ASN 23 H ASN 23 6.109 -2.163 6.831 148 HA ASN 23 HA ASN 23 3.301 -2.594 6.399 149 HB2 ASN 23 HB2 ASN 23 4.348 -1.419 8.393 150 HB3 ASN 23 HB3 ASN 23 4.678 -0.062 7.310 151 HD21 ASN 23 HD21 ASN 23 3.358 1.264 8.607 152 HD22 ASN 23 HD22 ASN 23 1.633 1.172 8.511 153 H LEU 24 H LEU 24 2.186 -1.992 4.660 154 HA LEU 24 HA LEU 24 3.359 0.061 2.903 155 HB2 LEU 24 HB2 LEU 24 2.642 -2.635 2.372 156 HB3 LEU 24 HB3 LEU 24 1.502 -1.613 1.519 157 HG LEU 24 HG LEU 24 3.252 -0.570 0.268 158 HD11 LEU 24 HD11 LEU 24 5.618 -1.302 0.568 159 HD12 LEU 24 HD12 LEU 24 5.125 -2.085 2.072 160 HD13 LEU 24 HD13 LEU 24 4.980 -0.338 1.897 161 HD21 LEU 24 HD21 LEU 24 3.735 -3.530 0.433 162 HD22 LEU 24 HD22 LEU 24 4.155 -2.474 -0.919 163 HD23 LEU 24 HD23 LEU 24 2.464 -2.743 -0.498 164 H ILE 25 H ILE 25 2.269 1.850 3.005 165 HA ILE 25 HA ILE 25 -0.556 1.907 3.588 166 HB ILE 25 HB ILE 25 0.992 3.722 4.347 167 HG12 ILE 25 HG12 ILE 25 -1.388 4.380 2.622 168 HG13 ILE 25 HG13 ILE 25 -1.329 4.120 4.365 169 HG21 ILE 25 HG21 ILE 25 2.381 3.841 2.332 170 HG22 ILE 25 HG22 ILE 25 1.737 5.419 2.798 171 HG23 ILE 25 HG23 ILE 25 1.018 4.538 1.449 172 HD11 ILE 25 HD11 ILE 25 -0.050 6.429 2.935 173 HD12 ILE 25 HD12 ILE 25 -0.139 6.179 4.677 174 HD13 ILE 25 HD13 ILE 25 -1.612 6.476 3.750 175 H VAL 26 H VAL 26 -2.132 1.894 2.091 176 HA VAL 26 HA VAL 26 -1.279 2.151 -0.725 177 HB VAL 26 HB VAL 26 -3.549 0.405 0.236 178 HG11 VAL 26 HG11 VAL 26 -3.678 1.155 -2.089 179 HG12 VAL 26 HG12 VAL 26 -3.334 -0.575 -2.002 180 HG13 VAL 26 HG13 VAL 26 -2.041 0.564 -2.376 181 HG21 VAL 26 HG21 VAL 26 -1.469 -0.417 1.177 182 HG22 VAL 26 HG22 VAL 26 -0.707 -0.345 -0.412 183 HG23 VAL 26 HG23 VAL 26 -2.023 -1.480 -0.117 184 H ASN 27 H ASN 27 -2.041 3.967 -1.485 185 HA ASN 27 HA ASN 27 -4.492 5.125 -0.384 186 HB2 ASN 27 HB2 ASN 27 -2.066 6.259 -1.034 187 HB3 ASN 27 HB3 ASN 27 -3.061 6.667 -2.425 188 HD21 ASN 27 HD21 ASN 27 -2.297 7.362 0.779 189 HD22 ASN 27 HD22 ASN 27 -3.510 8.554 1.079 190 H TYR 28 H TYR 28 -5.711 6.443 -2.115 191 HA TYR 28 HA TYR 28 -7.115 6.465 -3.885 192 HB2 TYR 28 HB2 TYR 28 -4.864 5.054 -5.316 193 HB3 TYR 28 HB3 TYR 28 -6.182 5.937 -6.069 194 HD1 TYR 28 HD1 TYR 28 -6.288 8.445 -5.756 195 HD2 TYR 28 HD2 TYR 28 -2.928 6.136 -4.566 196 HE1 TYR 28 HE1 TYR 28 -4.917 10.485 -5.685 197 HE2 TYR 28 HE2 TYR 28 -1.538 8.160 -4.483 198 HH TYR 28 HH TYR 28 -1.557 10.436 -5.539 199 H LEU 29 H LEU 29 -7.218 4.175 -2.076 200 HA LEU 29 HA LEU 29 -7.854 1.833 -3.574 201 HB2 LEU 29 HB2 LEU 29 -8.707 2.691 -0.804 202 HB3 LEU 29 HB3 LEU 29 -9.009 1.105 -1.486 203 HG LEU 29 HG LEU 29 -6.353 2.307 -0.734 204 HD11 LEU 29 HD11 LEU 29 -7.686 1.308 1.067 205 HD12 LEU 29 HD12 LEU 29 -6.214 0.393 0.741 206 HD13 LEU 29 HD13 LEU 29 -7.769 -0.200 0.154 207 HD21 LEU 29 HD21 LEU 29 -5.994 1.201 -2.822 208 HD22 LEU 29 HD22 LEU 29 -6.941 -0.191 -2.303 209 HD23 LEU 29 HD23 LEU 29 -5.393 0.155 -1.535 210 HA PRO 30 HA PRO 30 -11.821 2.876 -5.223 211 HB2 PRO 30 HB2 PRO 30 -12.678 0.166 -4.385 212 HB3 PRO 30 HB3 PRO 30 -12.735 0.920 -5.976 213 HG2 PRO 30 HG2 PRO 30 -10.931 -0.980 -5.337 214 HG3 PRO 30 HG3 PRO 30 -10.580 0.321 -6.485 215 HD2 PRO 30 HD2 PRO 30 -9.628 -0.066 -3.714 216 HD3 PRO 30 HD3 PRO 30 -8.858 0.790 -5.064 217 H GLN 31 H GLN 31 -13.680 3.712 -4.374 218 HA GLN 31 HA GLN 31 -13.697 4.174 -1.590 219 HB2 GLN 31 HB2 GLN 31 -15.777 4.795 -3.685 220 HB3 GLN 31 HB3 GLN 31 -15.789 5.428 -2.043 221 HG2 GLN 31 HG2 GLN 31 -13.576 5.875 -4.027 222 HG3 GLN 31 HG3 GLN 31 -14.891 7.007 -3.724 223 HE21 GLN 31 HE21 GLN 31 -11.978 5.587 -2.486 224 HE22 GLN 31 HE22 GLN 31 -11.755 6.690 -1.173 225 H ASN 32 H ASN 32 -15.085 1.656 -3.427 226 HA ASN 32 HA ASN 32 -17.017 1.054 -1.296 227 HB2 ASN 32 HB2 ASN 32 -18.217 -0.282 -2.901 228 HB3 ASN 32 HB3 ASN 32 -17.919 1.299 -3.605 229 HD21 ASN 32 HD21 ASN 32 -18.479 -1.261 -4.881 230 HD22 ASN 32 HD22 ASN 32 -17.158 -1.561 -5.958 231 H MET 33 H MET 33 -13.945 0.291 -1.983 232 HA MET 33 HA MET 33 -14.113 -2.562 -2.143 233 HB2 MET 33 HB2 MET 33 -12.304 -1.095 -3.122 234 HB3 MET 33 HB3 MET 33 -11.657 -0.969 -1.491 235 HG2 MET 33 HG2 MET 33 -11.237 -3.258 -1.374 236 HG3 MET 33 HG3 MET 33 -12.199 -3.591 -2.797 237 HE1 MET 33 HE1 MET 33 -8.033 -1.768 -2.642 238 HE2 MET 33 HE2 MET 33 -8.815 -2.710 -1.360 239 HE3 MET 33 HE3 MET 33 -9.437 -1.112 -1.786 240 H THR 34 H THR 34 -12.776 -3.941 -0.623 241 HA THR 34 HA THR 34 -13.445 -3.240 2.159 242 HB THR 34 HB THR 34 -13.894 -5.539 2.616 243 HG1 THR 34 HG1 THR 34 -13.622 -7.071 0.758 244 HG21 THR 34 HG21 THR 34 -15.660 -4.311 1.345 245 HG22 THR 34 HG22 THR 34 -15.708 -6.060 1.130 246 HG23 THR 34 HG23 THR 34 -15.026 -5.034 -0.136 247 H GLN 35 H GLN 35 -12.026 -4.355 3.803 248 HA GLN 35 HA GLN 35 -9.286 -4.111 3.401 249 HB2 GLN 35 HB2 GLN 35 -10.671 -6.068 5.239 250 HB3 GLN 35 HB3 GLN 35 -8.968 -5.647 5.303 251 HG2 GLN 35 HG2 GLN 35 -9.981 -4.438 7.017 252 HG3 GLN 35 HG3 GLN 35 -9.697 -3.285 5.721 253 HE21 GLN 35 HE21 GLN 35 -12.293 -5.615 5.586 254 HE22 GLN 35 HE22 GLN 35 -13.580 -4.476 5.799 255 H ASP 36 H ASP 36 -11.394 -6.895 3.038 256 HA ASP 36 HA ASP 36 -9.401 -8.840 2.668 257 HB2 ASP 36 HB2 ASP 36 -11.782 -9.298 3.215 258 HB3 ASP 36 HB3 ASP 36 -12.233 -8.815 1.586 259 H GLU 37 H GLU 37 -10.939 -6.632 0.376 260 HA GLU 37 HA GLU 37 -9.832 -7.919 -1.939 261 HB2 GLU 37 HB2 GLU 37 -10.802 -5.069 -1.643 262 HB3 GLU 37 HB3 GLU 37 -10.571 -5.942 -3.149 263 HG2 GLU 37 HG2 GLU 37 -12.543 -6.769 -1.037 264 HG3 GLU 37 HG3 GLU 37 -12.953 -5.724 -2.393 265 H LEU 38 H LEU 38 -9.063 -5.032 -0.045 266 HA LEU 38 HA LEU 38 -6.699 -4.265 -1.331 267 HB2 LEU 38 HB2 LEU 38 -7.939 -2.867 0.264 268 HB3 LEU 38 HB3 LEU 38 -7.603 -3.981 1.557 269 HG LEU 38 HG LEU 38 -6.279 -1.746 1.359 270 HD11 LEU 38 HD11 LEU 38 -5.895 -3.530 3.009 271 HD12 LEU 38 HD12 LEU 38 -4.417 -2.713 2.495 272 HD13 LEU 38 HD13 LEU 38 -4.805 -4.314 1.858 273 HD21 LEU 38 HD21 LEU 38 -4.723 -3.512 -0.511 274 HD22 LEU 38 HD22 LEU 38 -4.215 -1.935 0.099 275 HD23 LEU 38 HD23 LEU 38 -5.616 -2.062 -0.966 276 H ARG 39 H ARG 39 -7.373 -6.629 1.133 277 HA ARG 39 HA ARG 39 -4.653 -7.223 1.764 278 HB2 ARG 39 HB2 ARG 39 -6.752 -7.442 3.225 279 HB3 ARG 39 HB3 ARG 39 -7.066 -8.922 2.356 280 HG2 ARG 39 HG2 ARG 39 -4.538 -8.417 3.883 281 HG3 ARG 39 HG3 ARG 39 -5.965 -9.175 4.580 282 HD2 ARG 39 HD2 ARG 39 -5.860 -10.915 2.869 283 HD3 ARG 39 HD3 ARG 39 -4.393 -10.179 2.223 284 HE ARG 39 HE ARG 39 -3.924 -10.656 4.912 285 HH11 ARG 39 HH11 ARG 39 -4.693 -12.559 2.078 286 HH12 ARG 39 HH12 ARG 39 -3.759 -13.928 2.585 287 HH21 ARG 39 HH21 ARG 39 -2.688 -12.457 5.585 288 HH22 ARG 39 HH22 ARG 39 -2.636 -13.879 4.593 289 H SER 40 H SER 40 -7.165 -8.770 -0.259 290 HA SER 40 HA SER 40 -5.607 -11.088 -0.814 291 HB2 SER 40 HB2 SER 40 -8.001 -9.948 -2.268 292 HB3 SER 40 HB3 SER 40 -7.303 -11.538 -2.577 293 HG SER 40 HG SER 40 -8.753 -10.606 -0.365 294 H LEU 41 H LEU 41 -6.097 -8.036 -2.540 295 HA LEU 41 HA LEU 41 -4.683 -8.712 -4.881 296 HB2 LEU 41 HB2 LEU 41 -6.239 -6.771 -4.465 297 HB3 LEU 41 HB3 LEU 41 -4.936 -6.012 -3.588 298 HG LEU 41 HG LEU 41 -5.483 -5.519 -6.151 299 HD11 LEU 41 HD11 LEU 41 -3.935 -4.294 -4.720 300 HD12 LEU 41 HD12 LEU 41 -3.266 -4.565 -6.328 301 HD13 LEU 41 HD13 LEU 41 -2.724 -5.549 -4.970 302 HD21 LEU 41 HD21 LEU 41 -3.841 -6.624 -7.586 303 HD22 LEU 41 HD22 LEU 41 -4.984 -7.783 -6.909 304 HD23 LEU 41 HD23 LEU 41 -3.355 -7.657 -6.238 305 H PHE 42 H PHE 42 -3.616 -7.468 -1.774 306 HA PHE 42 HA PHE 42 -0.902 -7.314 -2.688 307 HB2 PHE 42 HB2 PHE 42 -2.242 -6.861 -0.045 308 HB3 PHE 42 HB3 PHE 42 -0.481 -6.949 -0.167 309 HD1 PHE 42 HD1 PHE 42 0.696 -5.022 -0.620 310 HD2 PHE 42 HD2 PHE 42 -3.392 -5.286 -1.808 311 HE1 PHE 42 HE1 PHE 42 0.776 -2.706 -1.451 312 HE2 PHE 42 HE2 PHE 42 -3.301 -2.978 -2.630 313 HZ PHE 42 HZ PHE 42 -1.217 -1.700 -2.454 314 H SER 43 H SER 43 -2.946 -9.668 -1.242 315 HA SER 43 HA SER 43 -0.889 -11.464 -0.456 316 HB2 SER 43 HB2 SER 43 -3.249 -11.623 0.338 317 HB3 SER 43 HB3 SER 43 -3.733 -12.100 -1.288 318 HG SER 43 HG SER 43 -2.085 -13.843 -0.978 319 H SER 44 H SER 44 -2.001 -10.371 -3.464 320 HA SER 44 HA SER 44 -1.444 -12.703 -5.009 321 HB2 SER 44 HB2 SER 44 -1.968 -11.414 -6.879 322 HB3 SER 44 HB3 SER 44 -2.869 -10.563 -5.623 323 HG SER 44 HG SER 44 -1.541 -8.914 -5.747 324 H ILE 45 H ILE 45 0.327 -9.834 -4.039 325 HA ILE 45 HA ILE 45 2.757 -10.419 -5.386 326 HB ILE 45 HB ILE 45 2.103 -8.779 -2.949 327 HG12 ILE 45 HG12 ILE 45 1.553 -8.101 -5.369 328 HG13 ILE 45 HG13 ILE 45 2.381 -6.929 -4.350 329 HG21 ILE 45 HG21 ILE 45 4.434 -7.902 -3.046 330 HG22 ILE 45 HG22 ILE 45 4.836 -9.220 -4.152 331 HG23 ILE 45 HG23 ILE 45 4.320 -9.578 -2.504 332 HD11 ILE 45 HD11 ILE 45 3.789 -8.738 -6.285 333 HD12 ILE 45 HD12 ILE 45 4.454 -7.354 -5.410 334 HD13 ILE 45 HD13 ILE 45 3.235 -7.109 -6.667 335 H GLY 46 H GLY 46 1.528 -11.226 -2.181 336 HA2 GLY 46 HA2 GLY 46 2.884 -13.609 -1.839 337 HA3 GLY 46 HA3 GLY 46 3.953 -12.354 -1.225 338 H GLU 47 H GLU 47 3.556 -13.661 0.805 339 HA GLU 47 HA GLU 47 1.055 -13.642 2.026 340 HB2 GLU 47 HB2 GLU 47 3.822 -13.840 3.154 341 HB3 GLU 47 HB3 GLU 47 2.362 -14.056 4.113 342 HG2 GLU 47 HG2 GLU 47 2.966 -16.169 3.554 343 HG3 GLU 47 HG3 GLU 47 1.724 -15.816 2.387 344 H VAL 48 H VAL 48 0.104 -12.434 3.439 345 HA VAL 48 HA VAL 48 1.201 -9.731 3.887 346 HB VAL 48 HB VAL 48 -1.669 -10.483 3.304 347 HG11 VAL 48 HG11 VAL 48 -2.071 -8.002 3.504 348 HG12 VAL 48 HG12 VAL 48 -0.494 -7.899 4.297 349 HG13 VAL 48 HG13 VAL 48 -1.786 -8.854 5.021 350 HG21 VAL 48 HG21 VAL 48 0.256 -8.673 1.861 351 HG22 VAL 48 HG22 VAL 48 -1.421 -8.973 1.404 352 HG23 VAL 48 HG23 VAL 48 -0.238 -10.284 1.340 353 H GLU 49 H GLU 49 1.556 -9.269 5.788 354 HA GLU 49 HA GLU 49 1.131 -11.015 7.915 355 HB2 GLU 49 HB2 GLU 49 2.992 -9.430 7.532 356 HB3 GLU 49 HB3 GLU 49 1.918 -8.141 8.048 357 HG2 GLU 49 HG2 GLU 49 2.366 -10.547 9.750 358 HG3 GLU 49 HG3 GLU 49 3.528 -9.251 9.712 359 H SER 50 H SER 50 -0.240 -7.841 7.109 360 HA SER 50 HA SER 50 -2.834 -8.556 8.003 361 HB2 SER 50 HB2 SER 50 -3.015 -6.921 9.889 362 HB3 SER 50 HB3 SER 50 -1.957 -8.284 10.242 363 HG SER 50 HG SER 50 -0.177 -6.978 9.932 364 H ALA 51 H ALA 51 -4.276 -7.323 6.921 365 HA ALA 51 HA ALA 51 -3.303 -4.764 5.853 366 HB1 ALA 51 HB1 ALA 51 -4.414 -5.151 3.776 367 HB2 ALA 51 HB2 ALA 51 -5.153 -6.636 4.384 368 HB3 ALA 51 HB3 ALA 51 -3.409 -6.555 4.127 369 H LYS 52 H LYS 52 -4.559 -3.033 6.091 370 HA LYS 52 HA LYS 52 -7.306 -3.494 7.005 371 HB2 LYS 52 HB2 LYS 52 -7.041 -1.223 8.148 372 HB3 LYS 52 HB3 LYS 52 -6.346 -2.623 8.920 373 HG2 LYS 52 HG2 LYS 52 -4.147 -1.950 8.110 374 HG3 LYS 52 HG3 LYS 52 -4.890 -0.520 7.377 375 HD2 LYS 52 HD2 LYS 52 -5.578 0.318 9.493 376 HD3 LYS 52 HD3 LYS 52 -5.177 -1.194 10.297 377 HE2 LYS 52 HE2 LYS 52 -3.186 0.674 9.019 378 HE3 LYS 52 HE3 LYS 52 -3.552 0.604 10.739 379 HZ1 LYS 52 HZ1 LYS 52 -1.558 -0.649 10.169 380 HZ2 LYS 52 HZ2 LYS 52 -2.456 -1.647 9.142 381 HZ3 LYS 52 HZ3 LYS 52 -2.758 -1.654 10.808 382 H LEU 53 H LEU 53 -8.837 -1.960 6.501 383 HA LEU 53 HA LEU 53 -8.248 -0.234 4.188 384 HB2 LEU 53 HB2 LEU 53 -9.568 -2.110 3.440 385 HB3 LEU 53 HB3 LEU 53 -10.676 -1.929 4.782 386 HG LEU 53 HG LEU 53 -10.836 0.518 3.530 387 HD11 LEU 53 HD11 LEU 53 -10.650 -1.654 1.434 388 HD12 LEU 53 HD12 LEU 53 -9.541 -0.287 1.646 389 HD13 LEU 53 HD13 LEU 53 -11.222 0.001 1.170 390 HD21 LEU 53 HD21 LEU 53 -12.693 -0.721 4.448 391 HD22 LEU 53 HD22 LEU 53 -12.534 -1.953 3.197 392 HD23 LEU 53 HD23 LEU 53 -13.033 -0.319 2.765 393 H ILE 54 H ILE 54 -9.100 1.826 4.339 394 HA ILE 54 HA ILE 54 -10.136 2.460 7.020 395 HB ILE 54 HB ILE 54 -8.866 4.329 5.035 396 HG12 ILE 54 HG12 ILE 54 -7.206 2.722 5.748 397 HG13 ILE 54 HG13 ILE 54 -6.883 4.254 6.544 398 HG21 ILE 54 HG21 ILE 54 -10.366 5.434 6.599 399 HG22 ILE 54 HG22 ILE 54 -8.691 5.856 6.953 400 HG23 ILE 54 HG23 ILE 54 -9.534 4.676 7.958 401 HD11 ILE 54 HD11 ILE 54 -6.559 2.404 8.064 402 HD12 ILE 54 HD12 ILE 54 -8.208 1.849 7.773 403 HD13 ILE 54 HD13 ILE 54 -7.927 3.390 8.587 404 H ARG 55 H ARG 55 -12.193 3.022 7.187 405 HA ARG 55 HA ARG 55 -13.444 4.350 4.881 406 HB2 ARG 55 HB2 ARG 55 -14.912 2.521 6.777 407 HB3 ARG 55 HB3 ARG 55 -15.509 3.231 5.286 408 HG2 ARG 55 HG2 ARG 55 -13.634 1.900 4.144 409 HG3 ARG 55 HG3 ARG 55 -13.576 0.986 5.650 410 HD2 ARG 55 HD2 ARG 55 -16.016 1.374 3.914 411 HD3 ARG 55 HD3 ARG 55 -15.022 -0.086 3.992 412 HE ARG 55 HE ARG 55 -15.876 0.514 6.584 413 HH11 ARG 55 HH11 ARG 55 -17.210 -0.565 3.538 414 HH12 ARG 55 HH12 ARG 55 -18.572 -1.352 4.266 415 HH21 ARG 55 HH21 ARG 55 -17.670 -0.528 7.547 416 HH22 ARG 55 HH22 ARG 55 -18.830 -1.333 6.543 417 H ASP 56 H ASP 56 -15.310 5.688 5.472 418 HA ASP 56 HA ASP 56 -14.627 7.473 7.562 419 HB2 ASP 56 HB2 ASP 56 -15.866 8.102 5.467 420 HB3 ASP 56 HB3 ASP 56 -17.273 7.300 6.142 421 H LYS 57 H LYS 57 -15.495 7.813 9.478 422 HA LYS 57 HA LYS 57 -16.379 5.688 11.036 423 HB2 LYS 57 HB2 LYS 57 -17.168 7.891 12.453 424 HB3 LYS 57 HB3 LYS 57 -15.574 7.175 12.497 425 HG2 LYS 57 HG2 LYS 57 -15.429 9.569 12.215 426 HG3 LYS 57 HG3 LYS 57 -14.813 8.746 10.790 427 HD2 LYS 57 HD2 LYS 57 -16.820 9.234 9.555 428 HD3 LYS 57 HD3 LYS 57 -17.603 9.870 11.012 429 HE2 LYS 57 HE2 LYS 57 -15.196 11.045 9.626 430 HE3 LYS 57 HE3 LYS 57 -16.837 11.688 9.588 431 HZ1 LYS 57 HZ1 LYS 57 -15.066 11.483 11.962 432 HZ2 LYS 57 HZ2 LYS 57 -16.687 11.958 12.025 433 HZ3 LYS 57 HZ3 LYS 57 -15.561 12.901 11.185 434 H VAL 58 H VAL 58 -18.180 7.701 8.975 435 HA VAL 58 HA VAL 58 -20.655 7.089 10.434 436 HB VAL 58 HB VAL 58 -19.719 9.699 9.274 437 HG11 VAL 58 HG11 VAL 58 -22.507 8.937 10.123 438 HG12 VAL 58 HG12 VAL 58 -21.980 9.462 8.520 439 HG13 VAL 58 HG13 VAL 58 -21.958 10.594 9.874 440 HG21 VAL 58 HG21 VAL 58 -19.108 8.953 11.603 441 HG22 VAL 58 HG22 VAL 58 -20.825 9.105 12.001 442 HG23 VAL 58 HG23 VAL 58 -19.913 10.519 11.470 443 H ALA 59 H ALA 59 -19.368 8.335 7.397 444 HA ALA 59 HA ALA 59 -21.691 7.577 5.932 445 HB1 ALA 59 HB1 ALA 59 -20.447 8.336 3.962 446 HB2 ALA 59 HB2 ALA 59 -19.001 8.493 4.961 447 HB3 ALA 59 HB3 ALA 59 -20.404 9.512 5.277 448 H GLY 60 H GLY 60 -19.084 5.924 7.066 449 HA2 GLY 60 HA2 GLY 60 -18.430 3.739 6.910 450 HA3 GLY 60 HA3 GLY 60 -20.013 3.446 6.216 451 H HIS 61 H HIS 61 -17.928 5.614 4.510 452 HA HIS 61 HA HIS 61 -17.571 3.486 2.504 453 HB2 HIS 61 HB2 HIS 61 -17.689 5.085 0.786 454 HB3 HIS 61 HB3 HIS 61 -18.893 5.638 1.934 455 HD1 HIS 61 HD1 HIS 61 -16.310 6.897 -0.121 456 HD2 HIS 61 HD2 HIS 61 -17.618 7.754 3.724 457 HE1 HIS 61 HE1 HIS 61 -15.443 9.198 0.387 458 HE2 HIS 61 HE2 HIS 61 -16.446 9.778 2.623 459 H SER 62 H SER 62 -15.581 3.085 1.609 460 HA SER 62 HA SER 62 -13.331 3.496 3.179 461 HB2 SER 62 HB2 SER 62 -13.333 2.962 0.202 462 HB3 SER 62 HB3 SER 62 -12.096 2.501 1.374 463 HG SER 62 HG SER 62 -13.438 0.730 0.912 464 H LEU 63 H LEU 63 -11.777 5.030 3.245 465 HA LEU 63 HA LEU 63 -12.494 7.552 1.983 466 HB2 LEU 63 HB2 LEU 63 -10.418 6.913 4.073 467 HB3 LEU 63 HB3 LEU 63 -10.819 8.524 3.515 468 HG LEU 63 HG LEU 63 -12.661 6.647 4.996 469 HD11 LEU 63 HD11 LEU 63 -12.527 8.318 6.777 470 HD12 LEU 63 HD12 LEU 63 -11.346 9.224 5.831 471 HD13 LEU 63 HD13 LEU 63 -10.953 7.610 6.421 472 HD21 LEU 63 HD21 LEU 63 -14.012 7.901 3.501 473 HD22 LEU 63 HD22 LEU 63 -13.118 9.383 3.833 474 HD23 LEU 63 HD23 LEU 63 -14.145 8.677 5.078 475 H GLY 64 H GLY 64 -10.981 5.119 0.792 476 HA2 GLY 64 HA2 GLY 64 -9.754 5.072 -1.165 477 HA3 GLY 64 HA3 GLY 64 -9.457 6.792 -0.984 478 H TYR 65 H TYR 65 -8.717 4.554 1.604 479 HA TYR 65 HA TYR 65 -6.103 3.947 0.688 480 HB2 TYR 65 HB2 TYR 65 -4.745 5.212 2.202 481 HB3 TYR 65 HB3 TYR 65 -5.785 6.337 1.343 482 HD1 TYR 65 HD1 TYR 65 -7.922 7.106 2.600 483 HD2 TYR 65 HD2 TYR 65 -4.572 5.281 4.471 484 HE1 TYR 65 HE1 TYR 65 -8.587 8.098 4.740 485 HE2 TYR 65 HE2 TYR 65 -5.231 6.258 6.618 486 HH TYR 65 HH TYR 65 -8.289 7.765 7.108 487 H GLY 66 H GLY 66 -4.809 2.784 2.281 488 HA2 GLY 66 HA2 GLY 66 -6.024 1.788 4.679 489 HA3 GLY 66 HA3 GLY 66 -6.081 0.621 3.367 490 H PHE 67 H PHE 67 -4.684 -0.439 5.226 491 HA PHE 67 HA PHE 67 -1.861 0.159 4.605 492 HB2 PHE 67 HB2 PHE 67 -2.941 -0.275 7.399 493 HB3 PHE 67 HB3 PHE 67 -1.253 0.001 6.963 494 HD1 PHE 67 HD1 PHE 67 -4.531 1.533 7.427 495 HD2 PHE 67 HD2 PHE 67 -0.467 2.209 6.351 496 HE1 PHE 67 HE1 PHE 67 -4.862 3.959 7.700 497 HE2 PHE 67 HE2 PHE 67 -0.793 4.632 6.625 498 HZ PHE 67 HZ PHE 67 -2.993 5.508 7.299 499 H VAL 68 H VAL 68 -1.088 -1.697 3.758 500 HA VAL 68 HA VAL 68 -1.800 -4.165 5.147 501 HB VAL 68 HB VAL 68 -2.536 -4.841 3.175 502 HG11 VAL 68 HG11 VAL 68 -2.549 -2.617 2.307 503 HG12 VAL 68 HG12 VAL 68 -2.086 -3.773 1.054 504 HG13 VAL 68 HG13 VAL 68 -0.856 -2.769 1.828 505 HG21 VAL 68 HG21 VAL 68 0.401 -4.975 2.513 506 HG22 VAL 68 HG22 VAL 68 -0.870 -5.784 1.600 507 HG23 VAL 68 HG23 VAL 68 -0.571 -6.236 3.278 508 H ASN 69 H ASN 69 -0.336 -4.695 6.485 509 HA ASN 69 HA ASN 69 2.476 -4.231 6.086 510 HB2 ASN 69 HB2 ASN 69 1.211 -4.260 8.326 511 HB3 ASN 69 HB3 ASN 69 1.219 -6.001 8.158 512 HD21 ASN 69 HD21 ASN 69 2.532 -6.503 9.810 513 HD22 ASN 69 HD22 ASN 69 4.196 -6.029 9.904 514 H TYR 70 H TYR 70 3.786 -5.584 5.024 515 HA TYR 70 HA TYR 70 2.839 -8.252 4.380 516 HB2 TYR 70 HB2 TYR 70 5.097 -6.510 3.471 517 HB3 TYR 70 HB3 TYR 70 5.239 -8.245 3.270 518 HD1 TYR 70 HD1 TYR 70 3.896 -5.218 1.902 519 HD2 TYR 70 HD2 TYR 70 3.459 -9.445 1.952 520 HE1 TYR 70 HE1 TYR 70 2.645 -5.113 -0.204 521 HE2 TYR 70 HE2 TYR 70 2.210 -9.352 -0.157 522 HH TYR 70 HH TYR 70 1.025 -7.898 -1.520 523 H VAL 71 H VAL 71 4.307 -10.083 4.632 524 HA VAL 71 HA VAL 71 5.427 -10.172 7.296 525 HB VAL 71 HB VAL 71 5.821 -12.544 6.845 526 HG11 VAL 71 HG11 VAL 71 3.107 -11.604 5.919 527 HG12 VAL 71 HG12 VAL 71 3.607 -11.865 7.593 528 HG13 VAL 71 HG13 VAL 71 3.488 -13.234 6.482 529 HG21 VAL 71 HG21 VAL 71 4.815 -11.958 4.062 530 HG22 VAL 71 HG22 VAL 71 5.198 -13.553 4.710 531 HG23 VAL 71 HG23 VAL 71 6.476 -12.358 4.494 532 H THR 72 H THR 72 6.420 -9.191 4.354 533 HA THR 72 HA THR 72 9.279 -9.530 4.925 534 HB THR 72 HB THR 72 9.409 -9.580 2.311 535 HG1 THR 72 HG1 THR 72 7.494 -10.937 1.608 536 HG21 THR 72 HG21 THR 72 10.195 -11.395 3.757 537 HG22 THR 72 HG22 THR 72 9.434 -11.999 2.282 538 HG23 THR 72 HG23 THR 72 8.555 -12.047 3.817 539 H ALA 73 H ALA 73 10.537 -7.745 4.281 540 HA ALA 73 HA ALA 73 9.119 -5.396 3.321 541 HB1 ALA 73 HB1 ALA 73 11.307 -4.287 3.419 542 HB2 ALA 73 HB2 ALA 73 12.068 -5.823 3.835 543 HB3 ALA 73 HB3 ALA 73 10.918 -5.077 4.946 544 H LYS 74 H LYS 74 10.694 -8.121 2.164 545 HA LYS 74 HA LYS 74 11.539 -7.324 -0.403 546 HB2 LYS 74 HB2 LYS 74 12.333 -9.378 0.433 547 HB3 LYS 74 HB3 LYS 74 10.722 -9.939 0.831 548 HG2 LYS 74 HG2 LYS 74 10.992 -9.406 -1.992 549 HG3 LYS 74 HG3 LYS 74 12.191 -10.571 -1.420 550 HD2 LYS 74 HD2 LYS 74 10.584 -12.084 -0.728 551 HD3 LYS 74 HD3 LYS 74 9.328 -10.849 -0.601 552 HE2 LYS 74 HE2 LYS 74 9.323 -10.620 -3.040 553 HE3 LYS 74 HE3 LYS 74 10.548 -11.882 -3.159 554 HZ1 LYS 74 HZ1 LYS 74 8.951 -13.411 -2.094 555 HZ2 LYS 74 HZ2 LYS 74 8.394 -12.819 -3.573 556 HZ3 LYS 74 HZ3 LYS 74 7.774 -12.192 -2.128 557 H ASP 75 H ASP 75 8.489 -8.818 0.680 558 HA ASP 75 HA ASP 75 7.309 -8.556 -1.919 559 HB2 ASP 75 HB2 ASP 75 6.185 -9.375 0.750 560 HB3 ASP 75 HB3 ASP 75 5.185 -9.244 -0.694 561 H ALA 76 H ALA 76 7.593 -6.550 0.839 562 HA ALA 76 HA ALA 76 5.455 -4.771 0.340 563 HB1 ALA 76 HB1 ALA 76 8.154 -4.289 1.626 564 HB2 ALA 76 HB2 ALA 76 6.643 -4.696 2.445 565 HB3 ALA 76 HB3 ALA 76 6.817 -3.138 1.639 566 H GLU 77 H GLU 77 8.905 -4.492 -0.529 567 HA GLU 77 HA GLU 77 8.702 -2.386 -2.361 568 HB2 GLU 77 HB2 GLU 77 10.873 -3.112 -1.718 569 HB3 GLU 77 HB3 GLU 77 10.542 -4.776 -2.175 570 HG2 GLU 77 HG2 GLU 77 10.399 -3.998 -4.547 571 HG3 GLU 77 HG3 GLU 77 10.981 -2.430 -4.000 572 H ARG 78 H ARG 78 8.229 -5.877 -2.809 573 HA ARG 78 HA ARG 78 7.940 -5.976 -5.547 574 HB2 ARG 78 HB2 ARG 78 7.678 -7.709 -3.462 575 HB3 ARG 78 HB3 ARG 78 6.046 -7.629 -4.102 576 HG2 ARG 78 HG2 ARG 78 6.787 -9.264 -5.434 577 HG3 ARG 78 HG3 ARG 78 7.457 -7.919 -6.367 578 HD2 ARG 78 HD2 ARG 78 8.877 -9.408 -4.195 579 HD3 ARG 78 HD3 ARG 78 9.113 -9.673 -5.904 580 HE ARG 78 HE ARG 78 10.134 -7.491 -4.308 581 HH11 ARG 78 HH11 ARG 78 9.447 -8.629 -7.548 582 HH12 ARG 78 HH12 ARG 78 10.613 -7.582 -8.298 583 HH21 ARG 78 HH21 ARG 78 11.690 -6.113 -5.299 584 HH22 ARG 78 HH22 ARG 78 11.874 -6.163 -7.028 585 H ALA 79 H ALA 79 5.506 -5.414 -3.057 586 HA ALA 79 HA ALA 79 3.356 -5.205 -4.842 587 HB1 ALA 79 HB1 ALA 79 2.970 -5.700 -2.516 588 HB2 ALA 79 HB2 ALA 79 2.128 -4.205 -2.935 589 HB3 ALA 79 HB3 ALA 79 3.643 -4.143 -2.029 590 H ILE 80 H ILE 80 5.698 -2.873 -3.684 591 HA ILE 80 HA ILE 80 4.276 -0.601 -4.613 592 HB ILE 80 HB ILE 80 7.225 -0.837 -4.191 593 HG12 ILE 80 HG12 ILE 80 5.034 -0.020 -2.273 594 HG13 ILE 80 HG13 ILE 80 5.904 -1.547 -2.222 595 HG21 ILE 80 HG21 ILE 80 5.375 1.544 -4.115 596 HG22 ILE 80 HG22 ILE 80 6.468 1.136 -5.446 597 HG23 ILE 80 HG23 ILE 80 7.127 1.556 -3.860 598 HD11 ILE 80 HD11 ILE 80 7.958 -0.387 -1.764 599 HD12 ILE 80 HD12 ILE 80 6.721 0.037 -0.580 600 HD13 ILE 80 HD13 ILE 80 7.128 1.163 -1.875 601 H ASN 81 H ASN 81 6.641 -2.714 -6.172 602 HA ASN 81 HA ASN 81 6.691 -0.891 -8.421 603 HB2 ASN 81 HB2 ASN 81 8.195 -2.527 -9.493 604 HB3 ASN 81 HB3 ASN 81 8.765 -1.957 -7.924 605 HD21 ASN 81 HD21 ASN 81 9.424 -3.395 -6.540 606 HD22 ASN 81 HD22 ASN 81 9.139 -5.093 -6.629 607 H THR 82 H THR 82 5.158 -3.832 -7.491 608 HA THR 82 HA THR 82 4.149 -4.281 -10.160 609 HB THR 82 HB THR 82 3.994 -5.794 -7.594 610 HG1 THR 82 HG1 THR 82 5.882 -5.965 -8.904 611 HG21 THR 82 HG21 THR 82 1.827 -6.155 -8.527 612 HG22 THR 82 HG22 THR 82 2.793 -7.587 -8.884 613 HG23 THR 82 HG23 THR 82 2.502 -6.387 -10.143 614 H LEU 83 H LEU 83 2.719 -3.868 -6.907 615 HA LEU 83 HA LEU 83 0.084 -3.704 -8.057 616 HB2 LEU 83 HB2 LEU 83 1.034 -3.670 -5.236 617 HB3 LEU 83 HB3 LEU 83 -0.650 -3.573 -5.672 618 HG LEU 83 HG LEU 83 1.230 -5.900 -6.105 619 HD11 LEU 83 HD11 LEU 83 -0.987 -5.277 -4.224 620 HD12 LEU 83 HD12 LEU 83 0.549 -6.093 -3.930 621 HD13 LEU 83 HD13 LEU 83 -0.768 -6.946 -4.747 622 HD21 LEU 83 HD21 LEU 83 -0.776 -7.098 -6.954 623 HD22 LEU 83 HD22 LEU 83 -0.193 -5.821 -8.029 624 HD23 LEU 83 HD23 LEU 83 -1.616 -5.548 -7.025 625 H ASN 84 H ASN 84 2.431 -1.440 -6.831 626 HA ASN 84 HA ASN 84 0.523 0.627 -6.315 627 HB2 ASN 84 HB2 ASN 84 2.730 0.656 -5.272 628 HB3 ASN 84 HB3 ASN 84 3.497 0.787 -6.848 629 HD21 ASN 84 HD21 ASN 84 4.521 2.650 -5.962 630 HD22 ASN 84 HD22 ASN 84 3.701 4.160 -5.940 631 H GLY 85 H GLY 85 -0.683 1.539 -7.760 632 HA2 GLY 85 HA2 GLY 85 -1.210 2.575 -9.803 633 HA3 GLY 85 HA3 GLY 85 0.274 1.944 -10.495 634 H LEU 86 H LEU 86 -1.783 -0.131 -8.634 635 HA LEU 86 HA LEU 86 -2.270 -1.798 -10.968 636 HB2 LEU 86 HB2 LEU 86 -1.727 -2.411 -8.391 637 HB3 LEU 86 HB3 LEU 86 -3.473 -2.421 -8.319 638 HG LEU 86 HG LEU 86 -2.666 -4.664 -8.621 639 HD11 LEU 86 HD11 LEU 86 -3.826 -5.332 -10.660 640 HD12 LEU 86 HD12 LEU 86 -3.888 -3.646 -11.172 641 HD13 LEU 86 HD13 LEU 86 -4.754 -4.160 -9.725 642 HD21 LEU 86 HD21 LEU 86 -1.429 -5.309 -10.666 643 HD22 LEU 86 HD22 LEU 86 -0.515 -4.268 -9.578 644 HD23 LEU 86 HD23 LEU 86 -1.234 -3.597 -11.042 645 H ARG 87 H ARG 87 -4.234 -1.988 -11.970 646 HA ARG 87 HA ARG 87 -6.349 -0.205 -11.193 647 HB2 ARG 87 HB2 ARG 87 -6.101 -2.285 -13.358 648 HB3 ARG 87 HB3 ARG 87 -7.596 -1.403 -13.069 649 HG2 ARG 87 HG2 ARG 87 -4.957 -0.094 -13.664 650 HG3 ARG 87 HG3 ARG 87 -6.184 -0.459 -14.879 651 HD2 ARG 87 HD2 ARG 87 -7.783 0.948 -13.660 652 HD3 ARG 87 HD3 ARG 87 -6.542 1.320 -12.469 653 HE ARG 87 HE ARG 87 -5.299 2.238 -14.530 654 HH11 ARG 87 HH11 ARG 87 -8.770 2.357 -14.064 655 HH12 ARG 87 HH12 ARG 87 -8.962 3.835 -14.952 656 HH21 ARG 87 HH21 ARG 87 -5.555 4.178 -15.704 657 HH22 ARG 87 HH22 ARG 87 -7.135 4.867 -15.888 658 H LEU 88 H LEU 88 -6.864 -0.849 -9.160 659 HA LEU 88 HA LEU 88 -7.866 -3.540 -8.652 660 HB2 LEU 88 HB2 LEU 88 -6.398 -2.259 -7.059 661 HB3 LEU 88 HB3 LEU 88 -7.720 -1.135 -6.865 662 HG LEU 88 HG LEU 88 -8.926 -2.525 -5.526 663 HD11 LEU 88 HD11 LEU 88 -7.428 -4.889 -6.637 664 HD12 LEU 88 HD12 LEU 88 -9.067 -4.400 -7.073 665 HD13 LEU 88 HD13 LEU 88 -8.715 -4.935 -5.429 666 HD21 LEU 88 HD21 LEU 88 -6.829 -1.949 -4.438 667 HD22 LEU 88 HD22 LEU 88 -6.080 -3.413 -5.087 668 HD23 LEU 88 HD23 LEU 88 -7.396 -3.538 -3.918 669 H GLN 89 H GLN 89 -9.840 -3.854 -9.362 670 HA GLN 89 HA GLN 89 -12.036 -3.555 -9.921 671 HB2 GLN 89 HB2 GLN 89 -12.091 -1.509 -7.746 672 HB3 GLN 89 HB3 GLN 89 -13.450 -2.445 -8.352 673 HG2 GLN 89 HG2 GLN 89 -12.358 -4.489 -7.504 674 HG3 GLN 89 HG3 GLN 89 -11.085 -3.477 -6.825 675 HE21 GLN 89 HE21 GLN 89 -13.091 -1.381 -6.156 676 HE22 GLN 89 HE22 GLN 89 -13.890 -1.958 -4.737 677 H SER 90 H SER 90 -10.079 -2.065 -11.237 678 HA SER 90 HA SER 90 -10.013 -0.584 -12.951 679 HB2 SER 90 HB2 SER 90 -12.780 -0.039 -12.061 680 HB3 SER 90 HB3 SER 90 -12.049 0.876 -13.377 681 HG SER 90 HG SER 90 -12.157 -1.959 -13.314 682 H LYS 91 H LYS 91 -9.992 0.067 -9.789 683 HA LYS 91 HA LYS 91 -9.521 2.959 -10.039 684 HB2 LYS 91 HB2 LYS 91 -10.734 1.378 -8.074 685 HB3 LYS 91 HB3 LYS 91 -9.180 1.842 -7.402 686 HG2 LYS 91 HG2 LYS 91 -11.199 3.760 -8.480 687 HG3 LYS 91 HG3 LYS 91 -10.933 3.384 -6.779 688 HD2 LYS 91 HD2 LYS 91 -8.438 3.945 -7.431 689 HD3 LYS 91 HD3 LYS 91 -9.249 4.922 -8.661 690 HE2 LYS 91 HE2 LYS 91 -10.709 5.659 -6.661 691 HE3 LYS 91 HE3 LYS 91 -9.333 5.141 -5.698 692 HZ1 LYS 91 HZ1 LYS 91 -7.925 6.628 -7.021 693 HZ2 LYS 91 HZ2 LYS 91 -9.135 7.474 -6.201 694 HZ3 LYS 91 HZ3 LYS 91 -9.285 7.181 -7.858 695 H THR 92 H THR 92 -7.443 3.773 -9.890 696 HA THR 92 HA THR 92 -5.314 1.787 -9.701 697 HB THR 92 HB THR 92 -4.533 4.585 -10.119 698 HG1 THR 92 HG1 THR 92 -6.620 3.584 -11.493 699 HG21 THR 92 HG21 THR 92 -3.131 3.583 -11.844 700 HG22 THR 92 HG22 THR 92 -3.960 2.041 -11.636 701 HG23 THR 92 HG23 THR 92 -2.977 2.694 -10.329 702 H ILE 93 H ILE 93 -4.118 1.508 -7.949 703 HA ILE 93 HA ILE 93 -4.637 3.262 -5.664 704 HB ILE 93 HB ILE 93 -3.981 1.359 -4.303 705 HG12 ILE 93 HG12 ILE 93 -3.492 0.024 -6.972 706 HG13 ILE 93 HG13 ILE 93 -2.277 0.409 -5.759 707 HG21 ILE 93 HG21 ILE 93 -5.896 0.482 -6.457 708 HG22 ILE 93 HG22 ILE 93 -6.313 1.615 -5.172 709 HG23 ILE 93 HG23 ILE 93 -5.871 -0.048 -4.773 710 HD11 ILE 93 HD11 ILE 93 -3.329 -1.170 -4.229 711 HD12 ILE 93 HD12 ILE 93 -2.811 -1.935 -5.732 712 HD13 ILE 93 HD13 ILE 93 -4.518 -1.562 -5.472 713 H LYS 94 H LYS 94 -2.868 3.494 -4.051 714 HA LYS 94 HA LYS 94 -0.195 3.570 -5.312 715 HB2 LYS 94 HB2 LYS 94 -0.835 5.858 -5.050 716 HB3 LYS 94 HB3 LYS 94 -1.449 5.572 -3.428 717 HG2 LYS 94 HG2 LYS 94 1.082 4.828 -3.033 718 HG3 LYS 94 HG3 LYS 94 1.334 5.947 -4.365 719 HD2 LYS 94 HD2 LYS 94 0.377 7.734 -3.156 720 HD3 LYS 94 HD3 LYS 94 -0.236 6.664 -1.902 721 HE2 LYS 94 HE2 LYS 94 2.026 6.156 -1.193 722 HE3 LYS 94 HE3 LYS 94 2.685 7.131 -2.501 723 HZ1 LYS 94 HZ1 LYS 94 2.791 8.515 -0.659 724 HZ2 LYS 94 HZ2 LYS 94 1.282 8.028 -0.067 725 HZ3 LYS 94 HZ3 LYS 94 1.370 9.023 -1.428 726 H VAL 95 H VAL 95 0.731 1.782 -4.416 727 HA VAL 95 HA VAL 95 0.585 1.525 -1.506 728 HB VAL 95 HB VAL 95 0.655 -0.661 -1.759 729 HG11 VAL 95 HG11 VAL 95 -0.688 -0.135 -3.729 730 HG12 VAL 95 HG12 VAL 95 0.209 -1.648 -3.916 731 HG13 VAL 95 HG13 VAL 95 0.770 -0.184 -4.718 732 HG21 VAL 95 HG21 VAL 95 2.486 -1.770 -3.149 733 HG22 VAL 95 HG22 VAL 95 2.962 -0.829 -1.734 734 HG23 VAL 95 HG23 VAL 95 3.122 -0.136 -3.343 735 H SER 96 H SER 96 2.252 1.903 -0.242 736 HA SER 96 HA SER 96 4.965 2.126 -1.168 737 HB2 SER 96 HB2 SER 96 3.475 4.603 -0.215 738 HB3 SER 96 HB3 SER 96 5.214 4.508 -0.479 739 HG SER 96 HG SER 96 3.806 3.650 -2.646 740 H TYR 97 H TYR 97 6.425 2.452 0.697 741 HA TYR 97 HA TYR 97 5.636 1.091 3.033 742 HB2 TYR 97 HB2 TYR 97 7.820 3.161 3.061 743 HB3 TYR 97 HB3 TYR 97 7.728 1.644 3.941 744 HD1 TYR 97 HD1 TYR 97 7.729 -0.524 2.368 745 HD2 TYR 97 HD2 TYR 97 9.235 3.305 1.279 746 HE1 TYR 97 HE1 TYR 97 9.175 -1.574 0.673 747 HE2 TYR 97 HE2 TYR 97 10.675 2.269 -0.414 748 HH TYR 97 HH TYR 97 10.312 -0.914 -1.448 749 H ALA 98 H ALA 98 4.141 1.764 4.427 750 HA ALA 98 HA ALA 98 3.381 4.492 4.688 751 HB1 ALA 98 HB1 ALA 98 2.789 2.401 6.769 752 HB2 ALA 98 HB2 ALA 98 1.977 2.384 5.205 753 HB3 ALA 98 HB3 ALA 98 1.801 3.779 6.267 754 H ARG 99 H ARG 99 4.754 5.923 5.462 755 HA ARG 99 HA ARG 99 7.228 5.457 6.444 756 HB2 ARG 99 HB2 ARG 99 5.473 7.852 6.974 757 HB3 ARG 99 HB3 ARG 99 7.212 7.817 7.232 758 HG2 ARG 99 HG2 ARG 99 7.641 7.548 4.915 759 HG3 ARG 99 HG3 ARG 99 5.939 7.240 4.571 760 HD2 ARG 99 HD2 ARG 99 7.038 9.838 5.634 761 HD3 ARG 99 HD3 ARG 99 6.677 9.520 3.939 762 HE ARG 99 HE ARG 99 4.437 9.037 5.661 763 HH11 ARG 99 HH11 ARG 99 6.200 11.528 3.938 764 HH12 ARG 99 HH12 ARG 99 4.825 12.577 3.803 765 HH21 ARG 99 HH21 ARG 99 2.629 10.443 5.487 766 HH22 ARG 99 HH22 ARG 99 2.815 11.972 4.684 767 HA PRO 100 HA PRO 100 6.353 4.068 10.657 768 HB2 PRO 100 HB2 PRO 100 9.152 3.242 10.595 769 HB3 PRO 100 HB3 PRO 100 7.703 2.252 10.764 770 HG2 PRO 100 HG2 PRO 100 9.238 2.194 8.546 771 HG3 PRO 100 HG3 PRO 100 7.482 1.942 8.498 772 HD2 PRO 100 HD2 PRO 100 9.061 4.408 7.870 773 HD3 PRO 100 HD3 PRO 100 7.683 3.701 7.000 774 H SER 101 H SER 101 7.707 4.271 12.681 775 HA SER 101 HA SER 101 8.651 5.534 14.276 776 HB2 SER 101 HB2 SER 101 10.655 5.231 12.903 777 HB3 SER 101 HB3 SER 101 10.245 6.675 11.989 778 HG SER 101 HG SER 101 10.897 6.505 14.750 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 8.704 2.903 -17.655 2 H2 GLY 1 H2 GLY 1 8.362 3.740 -19.082 3 H3 GLY 1 H3 GLY 1 7.469 2.364 -18.677 4 HA2 GLY 1 HA2 GLY 1 6.180 4.342 -18.240 5 HA3 GLY 1 HA3 GLY 1 6.554 3.486 -16.752 6 H HIS 2 H HIS 2 5.839 6.043 -16.500 7 HA HIS 2 HA HIS 2 8.359 7.523 -16.157 8 HB2 HIS 2 HB2 HIS 2 6.821 8.664 -17.662 9 HB3 HIS 2 HB3 HIS 2 5.530 8.556 -16.473 10 HD1 HIS 2 HD1 HIS 2 5.241 10.544 -15.025 11 HD2 HIS 2 HD2 HIS 2 9.047 10.377 -16.684 12 HE1 HIS 2 HE1 HIS 2 6.374 12.676 -14.335 13 HE2 HIS 2 HE2 HIS 2 8.740 12.440 -15.160 14 H MET 3 H MET 3 8.744 6.382 -14.190 15 HA MET 3 HA MET 3 8.894 6.301 -11.933 16 HB2 MET 3 HB2 MET 3 9.081 8.726 -12.090 17 HB3 MET 3 HB3 MET 3 7.331 8.882 -12.096 18 HG2 MET 3 HG2 MET 3 7.215 8.041 -9.831 19 HG3 MET 3 HG3 MET 3 8.957 7.773 -9.819 20 HE1 MET 3 HE1 MET 3 7.162 10.860 -11.480 21 HE2 MET 3 HE2 MET 3 7.059 11.969 -10.115 22 HE3 MET 3 HE3 MET 3 6.124 10.475 -10.108 23 H SER 4 H SER 4 7.736 4.444 -11.599 24 HA SER 4 HA SER 4 4.940 4.244 -11.516 25 HB2 SER 4 HB2 SER 4 5.464 2.156 -10.115 26 HB3 SER 4 HB3 SER 4 6.153 2.226 -11.737 27 HG SER 4 HG SER 4 7.499 1.718 -9.658 28 H ASN 5 H ASN 5 7.331 4.950 -9.015 29 HA ASN 5 HA ASN 5 5.304 5.165 -6.960 30 HB2 ASN 5 HB2 ASN 5 7.719 4.405 -6.573 31 HB3 ASN 5 HB3 ASN 5 8.171 6.096 -6.751 32 HD21 ASN 5 HD21 ASN 5 7.295 7.622 -5.218 33 HD22 ASN 5 HD22 ASN 5 6.848 7.100 -3.639 34 H GLY 6 H GLY 6 4.211 6.761 -8.537 35 HA2 GLY 6 HA2 GLY 6 5.209 9.450 -8.572 36 HA3 GLY 6 HA3 GLY 6 3.595 8.932 -9.036 37 H TYR 7 H TYR 7 5.545 9.030 -6.106 38 HA TYR 7 HA TYR 7 3.660 10.674 -4.684 39 HB2 TYR 7 HB2 TYR 7 2.821 8.199 -4.617 40 HB3 TYR 7 HB3 TYR 7 4.186 7.929 -3.543 41 HD1 TYR 7 HD1 TYR 7 0.810 9.125 -3.842 42 HD2 TYR 7 HD2 TYR 7 4.268 9.208 -1.354 43 HE1 TYR 7 HE1 TYR 7 -0.573 9.840 -1.942 44 HE2 TYR 7 HE2 TYR 7 2.885 9.926 0.550 45 HH TYR 7 HH TYR 7 0.804 10.917 1.045 46 H GLU 8 H GLU 8 5.792 11.734 -4.993 47 HA GLU 8 HA GLU 8 8.134 10.540 -3.916 48 HB2 GLU 8 HB2 GLU 8 7.753 13.412 -4.754 49 HB3 GLU 8 HB3 GLU 8 9.282 12.559 -4.555 50 HG2 GLU 8 HG2 GLU 8 9.112 12.302 -6.768 51 HG3 GLU 8 HG3 GLU 8 8.099 10.937 -6.298 52 H ASP 9 H ASP 9 9.066 10.696 -2.122 53 HA ASP 9 HA ASP 9 9.360 12.671 -0.311 54 HB2 ASP 9 HB2 ASP 9 7.702 12.648 1.303 55 HB3 ASP 9 HB3 ASP 9 6.737 12.312 -0.126 56 H HIS 10 H HIS 10 8.893 9.422 -1.016 57 HA HIS 10 HA HIS 10 11.065 8.597 0.799 58 HB2 HIS 10 HB2 HIS 10 9.949 6.433 1.103 59 HB3 HIS 10 HB3 HIS 10 8.854 7.726 1.586 60 HD1 HIS 10 HD1 HIS 10 6.889 8.301 -0.119 61 HD2 HIS 10 HD2 HIS 10 9.045 4.832 -0.951 62 HE1 HIS 10 HE1 HIS 10 5.582 7.081 -1.895 63 HE2 HIS 10 HE2 HIS 10 6.963 5.063 -2.475 64 H MET 11 H MET 11 10.726 9.402 -2.135 65 HA MET 11 HA MET 11 10.899 7.010 -3.686 66 HB2 MET 11 HB2 MET 11 9.920 8.923 -4.716 67 HB3 MET 11 HB3 MET 11 11.304 9.928 -4.318 68 HG2 MET 11 HG2 MET 11 12.679 8.618 -5.865 69 HG3 MET 11 HG3 MET 11 11.262 7.663 -6.293 70 HE1 MET 11 HE1 MET 11 11.645 12.186 -7.151 71 HE2 MET 11 HE2 MET 11 12.754 11.260 -6.137 72 HE3 MET 11 HE3 MET 11 11.107 11.586 -5.583 73 H ALA 12 H ALA 12 13.194 9.508 -2.692 74 HA ALA 12 HA ALA 12 15.404 7.974 -3.810 75 HB1 ALA 12 HB1 ALA 12 15.371 10.664 -2.446 76 HB2 ALA 12 HB2 ALA 12 15.358 10.384 -4.186 77 HB3 ALA 12 HB3 ALA 12 16.765 9.924 -3.229 78 H GLU 13 H GLU 13 14.497 9.419 -0.701 79 HA GLU 13 HA GLU 13 15.533 7.256 0.839 80 HB2 GLU 13 HB2 GLU 13 17.307 8.650 1.965 81 HB3 GLU 13 HB3 GLU 13 17.677 8.192 0.307 82 HG2 GLU 13 HG2 GLU 13 16.927 10.411 -0.446 83 HG3 GLU 13 HG3 GLU 13 16.645 10.863 1.235 84 H ASP 14 H ASP 14 15.884 8.363 3.243 85 HA ASP 14 HA ASP 14 14.992 9.444 5.028 86 HB2 ASP 14 HB2 ASP 14 15.007 11.431 3.363 87 HB3 ASP 14 HB3 ASP 14 13.278 11.125 3.212 88 H CYS 15 H CYS 15 12.556 10.248 5.740 89 HA CYS 15 HA CYS 15 10.609 9.473 6.573 90 HB2 CYS 15 HB2 CYS 15 10.420 8.463 3.766 91 HB3 CYS 15 HB3 CYS 15 9.117 8.340 4.950 92 HG CYS 15 HG CYS 15 8.524 10.454 3.221 93 H ARG 16 H ARG 16 12.988 7.688 6.697 94 HA ARG 16 HA ARG 16 13.590 5.554 7.082 95 HB2 ARG 16 HB2 ARG 16 10.875 5.291 8.354 96 HB3 ARG 16 HB3 ARG 16 12.370 4.499 8.831 97 HG2 ARG 16 HG2 ARG 16 12.214 6.131 10.414 98 HG3 ARG 16 HG3 ARG 16 13.212 6.925 9.209 99 HD2 ARG 16 HD2 ARG 16 11.051 7.891 8.260 100 HD3 ARG 16 HD3 ARG 16 10.273 7.305 9.735 101 HE ARG 16 HE ARG 16 12.451 8.790 10.564 102 HH11 ARG 16 HH11 ARG 16 9.481 9.341 8.797 103 HH12 ARG 16 HH12 ARG 16 9.382 11.016 9.233 104 HH21 ARG 16 HH21 ARG 16 12.311 10.989 11.153 105 HH22 ARG 16 HH22 ARG 16 10.993 11.954 10.571 106 H GLY 17 H GLY 17 12.656 5.835 4.529 107 HA2 GLY 17 HA2 GLY 17 10.819 3.584 4.109 108 HA3 GLY 17 HA3 GLY 17 11.180 4.846 2.938 109 H ASP 18 H ASP 18 13.743 3.304 4.731 110 HA ASP 18 HA ASP 18 14.365 1.516 2.525 111 HB2 ASP 18 HB2 ASP 18 16.520 2.479 2.026 112 HB3 ASP 18 HB3 ASP 18 15.294 3.730 1.850 113 H ILE 19 H ILE 19 14.038 1.751 5.661 114 HA ILE 19 HA ILE 19 16.558 0.606 6.506 115 HB ILE 19 HB ILE 19 14.659 0.298 8.560 116 HG12 ILE 19 HG12 ILE 19 14.497 3.039 8.581 117 HG13 ILE 19 HG13 ILE 19 14.162 2.648 6.907 118 HG21 ILE 19 HG21 ILE 19 16.118 1.878 9.729 119 HG22 ILE 19 HG22 ILE 19 16.903 2.270 8.201 120 HG23 ILE 19 HG23 ILE 19 17.033 0.643 8.866 121 HD11 ILE 19 HD11 ILE 19 12.123 2.781 8.251 122 HD12 ILE 19 HD12 ILE 19 12.716 1.471 9.267 123 HD13 ILE 19 HD13 ILE 19 12.361 1.183 7.564 124 H GLY 20 H GLY 20 13.334 -0.420 7.373 125 HA2 GLY 20 HA2 GLY 20 13.638 -2.996 6.039 126 HA3 GLY 20 HA3 GLY 20 13.422 -3.013 7.787 127 H ARG 21 H ARG 21 12.077 -0.877 5.380 128 HA ARG 21 HA ARG 21 9.563 -0.774 6.620 129 HB2 ARG 21 HB2 ARG 21 9.038 0.229 4.162 130 HB3 ARG 21 HB3 ARG 21 9.740 1.144 5.485 131 HG2 ARG 21 HG2 ARG 21 10.994 1.569 3.506 132 HG3 ARG 21 HG3 ARG 21 11.982 0.611 4.606 133 HD2 ARG 21 HD2 ARG 21 11.643 -1.361 3.314 134 HD3 ARG 21 HD3 ARG 21 10.390 -0.586 2.346 135 HE ARG 21 HE ARG 21 12.647 0.926 1.947 136 HH11 ARG 21 HH11 ARG 21 11.772 -2.431 1.485 137 HH12 ARG 21 HH12 ARG 21 12.823 -2.655 0.125 138 HH21 ARG 21 HH21 ARG 21 14.044 0.635 0.154 139 HH22 ARG 21 HH22 ARG 21 14.116 -0.910 -0.633 140 H THR 22 H THR 22 8.225 -2.387 6.721 141 HA THR 22 HA THR 22 7.697 -3.976 4.304 142 HB THR 22 HB THR 22 6.598 -5.571 5.919 143 HG1 THR 22 HG1 THR 22 6.189 -4.287 7.686 144 HG21 THR 22 HG21 THR 22 8.693 -6.461 6.831 145 HG22 THR 22 HG22 THR 22 9.501 -4.939 6.456 146 HG23 THR 22 HG23 THR 22 8.888 -5.957 5.153 147 H ASN 23 H ASN 23 6.495 -1.630 6.436 148 HA ASN 23 HA ASN 23 3.683 -2.066 6.128 149 HB2 ASN 23 HB2 ASN 23 4.811 -0.809 8.015 150 HB3 ASN 23 HB3 ASN 23 5.113 0.496 6.867 151 HD21 ASN 23 HD21 ASN 23 3.880 1.914 8.111 152 HD22 ASN 23 HD22 ASN 23 2.152 1.840 8.131 153 H LEU 24 H LEU 24 2.467 -1.534 4.426 154 HA LEU 24 HA LEU 24 3.570 0.397 2.492 155 HB2 LEU 24 HB2 LEU 24 2.812 -2.323 2.153 156 HB3 LEU 24 HB3 LEU 24 1.658 -1.336 1.279 157 HG LEU 24 HG LEU 24 3.379 -0.394 -0.091 158 HD11 LEU 24 HD11 LEU 24 5.739 -1.101 0.169 159 HD12 LEU 24 HD12 LEU 24 5.306 -1.859 1.703 160 HD13 LEU 24 HD13 LEU 24 5.154 -0.114 1.505 161 HD21 LEU 24 HD21 LEU 24 4.205 -2.377 -1.197 162 HD22 LEU 24 HD22 LEU 24 2.531 -2.605 -0.689 163 HD23 LEU 24 HD23 LEU 24 3.841 -3.345 0.230 164 H ILE 25 H ILE 25 2.500 2.197 2.525 165 HA ILE 25 HA ILE 25 -0.309 2.319 3.173 166 HB ILE 25 HB ILE 25 1.299 4.197 3.720 167 HG12 ILE 25 HG12 ILE 25 -1.080 4.885 1.988 168 HG13 ILE 25 HG13 ILE 25 -1.116 4.489 3.710 169 HG21 ILE 25 HG21 ILE 25 1.980 5.739 2.027 170 HG22 ILE 25 HG22 ILE 25 1.097 4.840 0.791 171 HG23 ILE 25 HG23 ILE 25 2.522 4.117 1.564 172 HD11 ILE 25 HD11 ILE 25 0.249 6.873 2.488 173 HD12 ILE 25 HD12 ILE 25 0.191 6.477 4.205 174 HD13 ILE 25 HD13 ILE 25 -1.293 6.881 3.343 175 H VAL 26 H VAL 26 -1.901 2.143 1.719 176 HA VAL 26 HA VAL 26 -1.096 2.225 -1.111 177 HB VAL 26 HB VAL 26 -3.399 0.610 -0.038 178 HG11 VAL 26 HG11 VAL 26 -3.256 -0.478 -2.222 179 HG12 VAL 26 HG12 VAL 26 -1.895 0.555 -2.656 180 HG13 VAL 26 HG13 VAL 26 -3.492 1.259 -2.412 181 HG21 VAL 26 HG21 VAL 26 -1.946 -1.326 -0.247 182 HG22 VAL 26 HG22 VAL 26 -1.280 -0.174 0.911 183 HG23 VAL 26 HG23 VAL 26 -0.608 -0.281 -0.717 184 H ASN 27 H ASN 27 -1.634 4.117 -1.715 185 HA ASN 27 HA ASN 27 -4.057 5.415 -0.795 186 HB2 ASN 27 HB2 ASN 27 -1.807 6.340 -2.590 187 HB3 ASN 27 HB3 ASN 27 -3.141 7.354 -2.051 188 HD21 ASN 27 HD21 ASN 27 -3.250 7.922 0.122 189 HD22 ASN 27 HD22 ASN 27 -1.878 7.854 1.146 190 H TYR 28 H TYR 28 -5.347 6.563 -2.520 191 HA TYR 28 HA TYR 28 -6.623 6.550 -4.445 192 HB2 TYR 28 HB2 TYR 28 -4.236 5.048 -5.550 193 HB3 TYR 28 HB3 TYR 28 -5.500 5.794 -6.513 194 HD1 TYR 28 HD1 TYR 28 -2.420 6.250 -4.790 195 HD2 TYR 28 HD2 TYR 28 -5.748 8.332 -6.404 196 HE1 TYR 28 HE1 TYR 28 -1.100 8.317 -4.761 197 HE2 TYR 28 HE2 TYR 28 -4.448 10.428 -6.387 198 HH TYR 28 HH TYR 28 -2.457 11.355 -5.091 199 H LEU 29 H LEU 29 -6.939 4.446 -2.479 200 HA LEU 29 HA LEU 29 -7.594 2.023 -3.894 201 HB2 LEU 29 HB2 LEU 29 -8.481 3.018 -1.178 202 HB3 LEU 29 HB3 LEU 29 -8.775 1.410 -1.804 203 HG LEU 29 HG LEU 29 -6.137 2.620 -1.017 204 HD11 LEU 29 HD11 LEU 29 -7.561 0.131 -0.082 205 HD12 LEU 29 HD12 LEU 29 -7.569 1.680 0.764 206 HD13 LEU 29 HD13 LEU 29 -6.056 0.797 0.555 207 HD21 LEU 29 HD21 LEU 29 -5.184 0.420 -1.704 208 HD22 LEU 29 HD22 LEU 29 -5.699 1.452 -3.035 209 HD23 LEU 29 HD23 LEU 29 -6.701 0.089 -2.536 210 HA PRO 30 HA PRO 30 -11.675 3.052 -5.377 211 HB2 PRO 30 HB2 PRO 30 -12.615 0.510 -4.219 212 HB3 PRO 30 HB3 PRO 30 -12.685 1.072 -5.882 213 HG2 PRO 30 HG2 PRO 30 -10.973 -0.850 -5.086 214 HG3 PRO 30 HG3 PRO 30 -10.585 0.292 -6.383 215 HD2 PRO 30 HD2 PRO 30 -9.611 0.199 -3.579 216 HD3 PRO 30 HD3 PRO 30 -8.785 0.764 -5.044 217 H GLN 31 H GLN 31 -13.392 4.066 -4.516 218 HA GLN 31 HA GLN 31 -13.211 4.727 -1.760 219 HB2 GLN 31 HB2 GLN 31 -15.263 5.458 -3.847 220 HB3 GLN 31 HB3 GLN 31 -15.131 6.202 -2.259 221 HG2 GLN 31 HG2 GLN 31 -12.906 6.205 -4.289 222 HG3 GLN 31 HG3 GLN 31 -14.097 7.500 -4.135 223 HE21 GLN 31 HE21 GLN 31 -11.318 5.988 -2.785 224 HE22 GLN 31 HE22 GLN 31 -11.004 7.161 -1.553 225 H ASN 32 H ASN 32 -14.711 2.160 -3.290 226 HA ASN 32 HA ASN 32 -16.608 1.828 -1.066 227 HB2 ASN 32 HB2 ASN 32 -18.039 0.575 -2.564 228 HB3 ASN 32 HB3 ASN 32 -17.704 2.149 -3.267 229 HD21 ASN 32 HD21 ASN 32 -18.525 -0.391 -4.491 230 HD22 ASN 32 HD22 ASN 32 -17.333 -0.733 -5.696 231 H MET 33 H MET 33 -13.667 0.847 -1.773 232 HA MET 33 HA MET 33 -14.012 -2.011 -1.921 233 HB2 MET 33 HB2 MET 33 -12.142 -0.685 -2.974 234 HB3 MET 33 HB3 MET 33 -11.463 -0.521 -1.363 235 HG2 MET 33 HG2 MET 33 -11.139 -2.830 -1.167 236 HG3 MET 33 HG3 MET 33 -12.113 -3.167 -2.581 237 HE1 MET 33 HE1 MET 33 -9.320 -0.738 -1.632 238 HE2 MET 33 HE2 MET 33 -7.921 -1.381 -2.499 239 HE3 MET 33 HE3 MET 33 -8.657 -2.315 -1.185 240 H THR 34 H THR 34 -12.662 -3.404 -0.387 241 HA THR 34 HA THR 34 -13.236 -2.609 2.391 242 HB THR 34 HB THR 34 -13.804 -4.866 2.908 243 HG1 THR 34 HG1 THR 34 -13.614 -6.472 1.131 244 HG21 THR 34 HG21 THR 34 -15.517 -3.576 1.615 245 HG22 THR 34 HG22 THR 34 -15.664 -5.327 1.462 246 HG23 THR 34 HG23 THR 34 -14.937 -4.385 0.154 247 H GLN 35 H GLN 35 -11.840 -3.756 4.027 248 HA GLN 35 HA GLN 35 -9.102 -3.642 3.566 249 HB2 GLN 35 HB2 GLN 35 -10.514 -5.496 5.486 250 HB3 GLN 35 HB3 GLN 35 -8.802 -5.112 5.512 251 HG2 GLN 35 HG2 GLN 35 -9.798 -3.844 7.208 252 HG3 GLN 35 HG3 GLN 35 -9.452 -2.732 5.891 253 HE21 GLN 35 HE21 GLN 35 -12.129 -4.979 5.845 254 HE22 GLN 35 HE22 GLN 35 -13.378 -3.790 5.983 255 H ASP 36 H ASP 36 -11.328 -6.347 3.312 256 HA ASP 36 HA ASP 36 -9.447 -8.397 2.978 257 HB2 ASP 36 HB2 ASP 36 -11.879 -8.671 3.510 258 HB3 ASP 36 HB3 ASP 36 -12.258 -8.263 1.842 259 H GLU 37 H GLU 37 -10.837 -6.151 0.644 260 HA GLU 37 HA GLU 37 -9.797 -7.542 -1.648 261 HB2 GLU 37 HB2 GLU 37 -10.700 -4.661 -1.426 262 HB3 GLU 37 HB3 GLU 37 -10.530 -5.601 -2.903 263 HG2 GLU 37 HG2 GLU 37 -12.459 -6.312 -0.713 264 HG3 GLU 37 HG3 GLU 37 -12.890 -5.298 -2.088 265 H LEU 38 H LEU 38 -8.967 -4.608 0.143 266 HA LEU 38 HA LEU 38 -6.593 -3.915 -1.152 267 HB2 LEU 38 HB2 LEU 38 -7.824 -2.515 0.491 268 HB3 LEU 38 HB3 LEU 38 -7.381 -3.622 1.763 269 HG LEU 38 HG LEU 38 -6.110 -1.346 1.419 270 HD11 LEU 38 HD11 LEU 38 -5.678 -3.051 3.138 271 HD12 LEU 38 HD12 LEU 38 -4.217 -2.258 2.546 272 HD13 LEU 38 HD13 LEU 38 -4.619 -3.887 1.996 273 HD21 LEU 38 HD21 LEU 38 -4.619 -3.201 -0.420 274 HD22 LEU 38 HD22 LEU 38 -4.074 -1.608 0.114 275 HD23 LEU 38 HD23 LEU 38 -5.509 -1.757 -0.902 276 H ARG 39 H ARG 39 -7.289 -6.218 1.361 277 HA ARG 39 HA ARG 39 -4.589 -6.885 1.964 278 HB2 ARG 39 HB2 ARG 39 -6.698 -7.060 3.424 279 HB3 ARG 39 HB3 ARG 39 -7.038 -8.532 2.554 280 HG2 ARG 39 HG2 ARG 39 -4.466 -8.120 4.016 281 HG3 ARG 39 HG3 ARG 39 -5.915 -8.719 4.812 282 HD2 ARG 39 HD2 ARG 39 -6.000 -10.502 3.034 283 HD3 ARG 39 HD3 ARG 39 -4.369 -9.994 2.570 284 HE ARG 39 HE ARG 39 -4.134 -10.413 5.233 285 HH11 ARG 39 HH11 ARG 39 -5.368 -12.390 2.620 286 HH12 ARG 39 HH12 ARG 39 -4.969 -13.887 3.396 287 HH21 ARG 39 HH21 ARG 39 -3.605 -12.377 6.251 288 HH22 ARG 39 HH22 ARG 39 -3.977 -13.882 5.465 289 H SER 40 H SER 40 -7.200 -8.485 0.100 290 HA SER 40 HA SER 40 -5.749 -10.823 -0.499 291 HB2 SER 40 HB2 SER 40 -8.197 -10.676 -0.701 292 HB3 SER 40 HB3 SER 40 -8.018 -9.562 -2.055 293 HG SER 40 HG SER 40 -7.824 -12.285 -1.990 294 H LEU 41 H LEU 41 -6.185 -7.829 -2.353 295 HA LEU 41 HA LEU 41 -4.796 -8.599 -4.661 296 HB2 LEU 41 HB2 LEU 41 -6.307 -6.609 -4.265 297 HB3 LEU 41 HB3 LEU 41 -4.956 -5.851 -3.460 298 HG LEU 41 HG LEU 41 -5.574 -5.416 -6.011 299 HD11 LEU 41 HD11 LEU 41 -2.773 -5.525 -4.945 300 HD12 LEU 41 HD12 LEU 41 -3.922 -4.217 -4.681 301 HD13 LEU 41 HD13 LEU 41 -3.334 -4.560 -6.308 302 HD21 LEU 41 HD21 LEU 41 -4.048 -6.637 -7.480 303 HD22 LEU 41 HD22 LEU 41 -5.194 -7.732 -6.705 304 HD23 LEU 41 HD23 LEU 41 -3.530 -7.637 -6.119 305 H PHE 42 H PHE 42 -3.636 -7.283 -1.616 306 HA PHE 42 HA PHE 42 -0.942 -7.201 -2.604 307 HB2 PHE 42 HB2 PHE 42 -2.207 -6.587 0.042 308 HB3 PHE 42 HB3 PHE 42 -0.451 -6.715 -0.114 309 HD1 PHE 42 HD1 PHE 42 0.752 -4.833 -0.702 310 HD2 PHE 42 HD2 PHE 42 -3.368 -5.090 -1.771 311 HE1 PHE 42 HE1 PHE 42 0.849 -2.562 -1.667 312 HE2 PHE 42 HE2 PHE 42 -3.257 -2.836 -2.728 313 HZ PHE 42 HZ PHE 42 -1.148 -1.590 -2.674 314 H SER 43 H SER 43 -2.962 -9.473 -0.968 315 HA SER 43 HA SER 43 -0.898 -11.225 -0.150 316 HB2 SER 43 HB2 SER 43 -3.806 -11.772 -0.801 317 HB3 SER 43 HB3 SER 43 -2.731 -12.830 0.085 318 HG SER 43 HG SER 43 -3.346 -10.198 0.898 319 H SER 44 H SER 44 -2.195 -10.338 -3.174 320 HA SER 44 HA SER 44 -1.677 -12.726 -4.613 321 HB2 SER 44 HB2 SER 44 -2.165 -11.504 -6.542 322 HB3 SER 44 HB3 SER 44 -3.049 -10.587 -5.317 323 HG SER 44 HG SER 44 -1.708 -8.962 -5.532 324 H ILE 45 H ILE 45 0.158 -9.811 -3.920 325 HA ILE 45 HA ILE 45 2.544 -10.452 -5.240 326 HB ILE 45 HB ILE 45 1.975 -8.796 -2.791 327 HG12 ILE 45 HG12 ILE 45 1.285 -8.120 -5.158 328 HG13 ILE 45 HG13 ILE 45 2.231 -6.948 -4.241 329 HG21 ILE 45 HG21 ILE 45 4.297 -7.911 -2.986 330 HG22 ILE 45 HG22 ILE 45 4.650 -9.209 -4.128 331 HG23 ILE 45 HG23 ILE 45 4.225 -9.596 -2.462 332 HD11 ILE 45 HD11 ILE 45 2.887 -7.239 -6.615 333 HD12 ILE 45 HD12 ILE 45 3.430 -8.866 -6.206 334 HD13 ILE 45 HD13 ILE 45 4.185 -7.460 -5.444 335 H GLY 46 H GLY 46 1.469 -11.236 -1.957 336 HA2 GLY 46 HA2 GLY 46 3.009 -13.564 -1.721 337 HA3 GLY 46 HA3 GLY 46 3.940 -12.232 -1.051 338 H GLU 47 H GLU 47 3.845 -12.489 1.092 339 HA GLU 47 HA GLU 47 1.239 -13.132 2.255 340 HB2 GLU 47 HB2 GLU 47 4.036 -13.636 3.154 341 HB3 GLU 47 HB3 GLU 47 2.756 -13.511 4.356 342 HG2 GLU 47 HG2 GLU 47 1.585 -15.332 3.440 343 HG3 GLU 47 HG3 GLU 47 2.582 -15.334 1.991 344 H VAL 48 H VAL 48 0.142 -11.702 3.120 345 HA VAL 48 HA VAL 48 1.313 -9.125 3.855 346 HB VAL 48 HB VAL 48 -1.562 -9.999 3.530 347 HG11 VAL 48 HG11 VAL 48 -1.630 -8.347 5.202 348 HG12 VAL 48 HG12 VAL 48 -2.016 -7.516 3.696 349 HG13 VAL 48 HG13 VAL 48 -0.403 -7.372 4.396 350 HG21 VAL 48 HG21 VAL 48 -1.546 -8.568 1.577 351 HG22 VAL 48 HG22 VAL 48 -0.290 -9.805 1.457 352 HG23 VAL 48 HG23 VAL 48 0.139 -8.148 1.883 353 H GLU 49 H GLU 49 1.819 -8.692 5.747 354 HA GLU 49 HA GLU 49 1.420 -10.384 7.925 355 HB2 GLU 49 HB2 GLU 49 3.297 -8.827 7.480 356 HB3 GLU 49 HB3 GLU 49 2.239 -7.519 7.988 357 HG2 GLU 49 HG2 GLU 49 2.745 -9.908 9.708 358 HG3 GLU 49 HG3 GLU 49 3.839 -8.553 9.669 359 H SER 50 H SER 50 0.127 -7.179 7.094 360 HA SER 50 HA SER 50 -2.449 -7.807 8.201 361 HB2 SER 50 HB2 SER 50 -2.382 -5.850 9.837 362 HB3 SER 50 HB3 SER 50 -1.469 -7.282 10.311 363 HG SER 50 HG SER 50 0.401 -6.255 9.949 364 H ALA 51 H ALA 51 -3.977 -6.684 7.069 365 HA ALA 51 HA ALA 51 -3.054 -4.264 5.679 366 HB1 ALA 51 HB1 ALA 51 -4.307 -4.813 3.735 367 HB2 ALA 51 HB2 ALA 51 -5.021 -6.229 4.520 368 HB3 ALA 51 HB3 ALA 51 -3.296 -6.198 4.143 369 H LYS 52 H LYS 52 -4.099 -2.514 6.117 370 HA LYS 52 HA LYS 52 -6.750 -2.689 7.377 371 HB2 LYS 52 HB2 LYS 52 -4.914 -1.805 8.766 372 HB3 LYS 52 HB3 LYS 52 -4.598 -0.574 7.552 373 HG2 LYS 52 HG2 LYS 52 -7.043 0.127 7.964 374 HG3 LYS 52 HG3 LYS 52 -6.869 -0.795 9.464 375 HD2 LYS 52 HD2 LYS 52 -4.960 1.342 8.568 376 HD3 LYS 52 HD3 LYS 52 -6.313 1.639 9.664 377 HE2 LYS 52 HE2 LYS 52 -4.079 -0.322 10.150 378 HE3 LYS 52 HE3 LYS 52 -4.148 1.306 10.823 379 HZ1 LYS 52 HZ1 LYS 52 -4.921 -0.332 12.408 380 HZ2 LYS 52 HZ2 LYS 52 -6.110 -0.866 11.332 381 HZ3 LYS 52 HZ3 LYS 52 -6.188 0.698 11.970 382 H LEU 53 H LEU 53 -8.401 -1.476 6.557 383 HA LEU 53 HA LEU 53 -7.832 0.230 4.221 384 HB2 LEU 53 HB2 LEU 53 -9.207 -1.676 3.617 385 HB3 LEU 53 HB3 LEU 53 -10.313 -1.341 4.933 386 HG LEU 53 HG LEU 53 -10.372 1.002 3.498 387 HD11 LEU 53 HD11 LEU 53 -10.306 -1.300 1.542 388 HD12 LEU 53 HD12 LEU 53 -9.073 -0.038 1.700 389 HD13 LEU 53 HD13 LEU 53 -10.707 0.384 1.179 390 HD21 LEU 53 HD21 LEU 53 -12.137 -1.431 3.345 391 HD22 LEU 53 HD22 LEU 53 -12.579 0.163 2.742 392 HD23 LEU 53 HD23 LEU 53 -12.284 -0.078 4.465 393 H ILE 54 H ILE 54 -8.704 2.296 4.242 394 HA ILE 54 HA ILE 54 -9.616 3.129 6.913 395 HB ILE 54 HB ILE 54 -8.415 4.854 4.759 396 HG12 ILE 54 HG12 ILE 54 -6.740 3.278 5.500 397 HG13 ILE 54 HG13 ILE 54 -6.373 4.855 6.183 398 HG21 ILE 54 HG21 ILE 54 -8.150 6.499 6.558 399 HG22 ILE 54 HG22 ILE 54 -8.947 5.395 7.678 400 HG23 ILE 54 HG23 ILE 54 -9.842 6.066 6.315 401 HD11 ILE 54 HD11 ILE 54 -6.008 3.066 7.786 402 HD12 ILE 54 HD12 ILE 54 -7.693 2.571 7.629 403 HD13 ILE 54 HD13 ILE 54 -7.299 4.147 8.319 404 H ARG 55 H ARG 55 -11.662 3.680 7.119 405 HA ARG 55 HA ARG 55 -13.050 4.781 4.771 406 HB2 ARG 55 HB2 ARG 55 -14.438 3.151 6.890 407 HB3 ARG 55 HB3 ARG 55 -15.031 3.614 5.300 408 HG2 ARG 55 HG2 ARG 55 -12.909 2.197 4.547 409 HG3 ARG 55 HG3 ARG 55 -13.249 1.401 6.085 410 HD2 ARG 55 HD2 ARG 55 -15.278 1.845 3.904 411 HD3 ARG 55 HD3 ARG 55 -14.373 0.351 4.133 412 HE ARG 55 HE ARG 55 -15.781 1.132 6.494 413 HH11 ARG 55 HH11 ARG 55 -16.133 -0.387 3.371 414 HH12 ARG 55 HH12 ARG 55 -17.498 -1.347 3.839 415 HH21 ARG 55 HH21 ARG 55 -17.599 -0.125 7.120 416 HH22 ARG 55 HH22 ARG 55 -18.337 -1.194 5.966 417 H ASP 56 H ASP 56 -14.978 6.093 5.375 418 HA ASP 56 HA ASP 56 -14.178 8.039 7.304 419 HB2 ASP 56 HB2 ASP 56 -15.415 8.553 5.170 420 HB3 ASP 56 HB3 ASP 56 -16.847 7.887 5.936 421 H LYS 57 H LYS 57 -14.956 8.480 9.226 422 HA LYS 57 HA LYS 57 -16.007 6.519 10.876 423 HB2 LYS 57 HB2 LYS 57 -15.874 8.149 12.552 424 HB3 LYS 57 HB3 LYS 57 -14.559 8.457 11.455 425 HG2 LYS 57 HG2 LYS 57 -17.101 9.986 11.720 426 HG3 LYS 57 HG3 LYS 57 -15.487 10.531 12.118 427 HD2 LYS 57 HD2 LYS 57 -14.936 10.232 9.656 428 HD3 LYS 57 HD3 LYS 57 -16.677 10.033 9.387 429 HE2 LYS 57 HE2 LYS 57 -17.133 12.231 10.077 430 HE3 LYS 57 HE3 LYS 57 -15.540 12.433 10.806 431 HZ1 LYS 57 HZ1 LYS 57 -15.854 11.956 7.904 432 HZ2 LYS 57 HZ2 LYS 57 -14.533 12.621 8.733 433 HZ3 LYS 57 HZ3 LYS 57 -15.957 13.515 8.557 434 H VAL 58 H VAL 58 -17.623 8.442 8.693 435 HA VAL 58 HA VAL 58 -20.164 8.162 10.137 436 HB VAL 58 HB VAL 58 -19.000 10.581 8.792 437 HG11 VAL 58 HG11 VAL 58 -21.162 11.690 9.096 438 HG12 VAL 58 HG12 VAL 58 -21.880 10.140 9.543 439 HG13 VAL 58 HG13 VAL 58 -21.231 10.380 7.918 440 HG21 VAL 58 HG21 VAL 58 -19.102 11.557 10.864 441 HG22 VAL 58 HG22 VAL 58 -18.742 9.871 11.263 442 HG23 VAL 58 HG23 VAL 58 -20.387 10.485 11.422 443 H ALA 59 H ALA 59 -18.756 9.064 7.032 444 HA ALA 59 HA ALA 59 -21.081 8.383 5.562 445 HB1 ALA 59 HB1 ALA 59 -19.749 8.851 3.581 446 HB2 ALA 59 HB2 ALA 59 -18.288 8.869 4.571 447 HB3 ALA 59 HB3 ALA 59 -19.530 10.098 4.811 448 H GLY 60 H GLY 60 -18.732 6.537 6.924 449 HA2 GLY 60 HA2 GLY 60 -18.264 4.297 6.912 450 HA3 GLY 60 HA3 GLY 60 -19.895 4.117 6.296 451 H HIS 61 H HIS 61 -17.374 5.791 4.511 452 HA HIS 61 HA HIS 61 -17.304 3.489 2.667 453 HB2 HIS 61 HB2 HIS 61 -17.675 4.793 0.803 454 HB3 HIS 61 HB3 HIS 61 -18.634 5.674 1.980 455 HD1 HIS 61 HD1 HIS 61 -15.956 6.072 -0.434 456 HD2 HIS 61 HD2 HIS 61 -17.242 8.070 2.975 457 HE1 HIS 61 HE1 HIS 61 -14.905 8.355 -0.552 458 HE2 HIS 61 HE2 HIS 61 -15.785 9.582 1.464 459 H SER 62 H SER 62 -15.344 3.062 1.634 460 HA SER 62 HA SER 62 -13.000 3.634 3.011 461 HB2 SER 62 HB2 SER 62 -13.219 1.729 1.464 462 HB3 SER 62 HB3 SER 62 -13.327 2.839 0.100 463 HG SER 62 HG SER 62 -11.237 2.327 0.124 464 H LEU 63 H LEU 63 -11.647 5.307 3.013 465 HA LEU 63 HA LEU 63 -12.413 7.676 1.563 466 HB2 LEU 63 HB2 LEU 63 -10.125 7.176 3.464 467 HB3 LEU 63 HB3 LEU 63 -10.583 8.746 2.829 468 HG LEU 63 HG LEU 63 -12.248 6.996 4.635 469 HD11 LEU 63 HD11 LEU 63 -11.971 8.835 6.232 470 HD12 LEU 63 HD12 LEU 63 -10.879 9.637 5.103 471 HD13 LEU 63 HD13 LEU 63 -10.434 8.083 5.806 472 HD21 LEU 63 HD21 LEU 63 -12.864 9.574 3.225 473 HD22 LEU 63 HD22 LEU 63 -13.710 9.075 4.686 474 HD23 LEU 63 HD23 LEU 63 -13.798 8.073 3.234 475 H GLY 64 H GLY 64 -10.406 5.061 0.951 476 HA2 GLY 64 HA2 GLY 64 -9.596 4.797 -1.273 477 HA3 GLY 64 HA3 GLY 64 -9.347 6.532 -1.355 478 H TYR 65 H TYR 65 -8.291 4.932 1.501 479 HA TYR 65 HA TYR 65 -5.730 4.225 0.402 480 HB2 TYR 65 HB2 TYR 65 -4.359 5.660 1.759 481 HB3 TYR 65 HB3 TYR 65 -5.477 6.666 0.853 482 HD1 TYR 65 HD1 TYR 65 -4.245 5.731 4.066 483 HD2 TYR 65 HD2 TYR 65 -7.470 7.629 2.055 484 HE1 TYR 65 HE1 TYR 65 -4.885 6.839 6.154 485 HE2 TYR 65 HE2 TYR 65 -8.126 8.740 4.138 486 HH TYR 65 HH TYR 65 -7.870 8.539 6.509 487 H GLY 66 H GLY 66 -4.343 3.154 1.986 488 HA2 GLY 66 HA2 GLY 66 -5.505 2.334 4.486 489 HA3 GLY 66 HA3 GLY 66 -5.539 1.078 3.262 490 H PHE 67 H PHE 67 -4.181 0.100 5.067 491 HA PHE 67 HA PHE 67 -1.351 0.658 4.527 492 HB2 PHE 67 HB2 PHE 67 -2.565 0.417 7.292 493 HB3 PHE 67 HB3 PHE 67 -0.843 0.489 6.954 494 HD1 PHE 67 HD1 PHE 67 0.209 2.570 6.295 495 HD2 PHE 67 HD2 PHE 67 -3.955 2.382 7.146 496 HE1 PHE 67 HE1 PHE 67 0.134 5.025 6.464 497 HE2 PHE 67 HE2 PHE 67 -4.038 4.836 7.311 498 HZ PHE 67 HZ PHE 67 -1.991 6.158 6.970 499 H VAL 68 H VAL 68 -0.781 -1.262 3.614 500 HA VAL 68 HA VAL 68 -1.449 -3.660 5.139 501 HB VAL 68 HB VAL 68 -2.305 -4.408 3.241 502 HG11 VAL 68 HG11 VAL 68 -1.965 -3.455 1.046 503 HG12 VAL 68 HG12 VAL 68 -0.680 -2.432 1.691 504 HG13 VAL 68 HG13 VAL 68 -2.342 -2.230 2.254 505 HG21 VAL 68 HG21 VAL 68 0.577 -4.609 2.380 506 HG22 VAL 68 HG22 VAL 68 -0.768 -5.466 1.628 507 HG23 VAL 68 HG23 VAL 68 -0.331 -5.808 3.302 508 H ASN 69 H ASN 69 0.078 -4.194 6.391 509 HA ASN 69 HA ASN 69 2.865 -3.738 5.837 510 HB2 ASN 69 HB2 ASN 69 1.784 -3.641 8.131 511 HB3 ASN 69 HB3 ASN 69 1.640 -5.384 8.038 512 HD21 ASN 69 HD21 ASN 69 2.988 -5.880 9.665 513 HD22 ASN 69 HD22 ASN 69 4.694 -5.579 9.630 514 H TYR 70 H TYR 70 4.194 -5.175 4.875 515 HA TYR 70 HA TYR 70 3.166 -7.853 4.363 516 HB2 TYR 70 HB2 TYR 70 5.387 -6.195 3.239 517 HB3 TYR 70 HB3 TYR 70 5.484 -7.941 3.123 518 HD1 TYR 70 HD1 TYR 70 4.115 -4.965 1.683 519 HD2 TYR 70 HD2 TYR 70 3.608 -9.179 1.977 520 HE1 TYR 70 HE1 TYR 70 2.740 -4.944 -0.349 521 HE2 TYR 70 HE2 TYR 70 2.237 -9.162 -0.058 522 HH TYR 70 HH TYR 70 1.001 -7.752 -1.421 523 H VAL 71 H VAL 71 4.668 -9.670 4.593 524 HA VAL 71 HA VAL 71 5.952 -9.627 7.184 525 HB VAL 71 HB VAL 71 6.303 -12.012 6.847 526 HG11 VAL 71 HG11 VAL 71 4.114 -11.263 7.635 527 HG12 VAL 71 HG12 VAL 71 3.965 -12.716 6.640 528 HG13 VAL 71 HG13 VAL 71 3.552 -11.138 5.966 529 HG21 VAL 71 HG21 VAL 71 6.869 -11.941 4.464 530 HG22 VAL 71 HG22 VAL 71 5.186 -11.579 4.077 531 HG23 VAL 71 HG23 VAL 71 5.611 -13.132 4.794 532 H THR 72 H THR 72 6.793 -8.722 4.179 533 HA THR 72 HA THR 72 9.659 -8.989 4.651 534 HB THR 72 HB THR 72 9.715 -9.369 2.047 535 HG1 THR 72 HG1 THR 72 7.965 -10.810 1.450 536 HG21 THR 72 HG21 THR 72 9.955 -11.775 2.400 537 HG22 THR 72 HG22 THR 72 9.203 -11.621 3.992 538 HG23 THR 72 HG23 THR 72 10.761 -10.855 3.671 539 H ALA 73 H ALA 73 10.822 -7.256 3.858 540 HA ALA 73 HA ALA 73 9.373 -5.018 2.735 541 HB1 ALA 73 HB1 ALA 73 11.565 -3.903 2.678 542 HB2 ALA 73 HB2 ALA 73 12.338 -5.406 3.182 543 HB3 ALA 73 HB3 ALA 73 11.219 -4.580 4.269 544 H LYS 74 H LYS 74 11.008 -7.776 1.734 545 HA LYS 74 HA LYS 74 11.713 -7.186 -0.913 546 HB2 LYS 74 HB2 LYS 74 12.572 -9.143 0.009 547 HB3 LYS 74 HB3 LYS 74 11.012 -9.662 0.607 548 HG2 LYS 74 HG2 LYS 74 10.932 -9.451 -2.239 549 HG3 LYS 74 HG3 LYS 74 12.294 -10.459 -1.734 550 HD2 LYS 74 HD2 LYS 74 10.936 -11.978 -0.646 551 HD3 LYS 74 HD3 LYS 74 9.611 -10.826 -0.478 552 HE2 LYS 74 HE2 LYS 74 9.260 -10.899 -2.892 553 HE3 LYS 74 HE3 LYS 74 10.547 -12.097 -3.033 554 HZ1 LYS 74 HZ1 LYS 74 9.266 -13.591 -1.620 555 HZ2 LYS 74 HZ2 LYS 74 8.375 -13.161 -2.990 556 HZ3 LYS 74 HZ3 LYS 74 8.027 -12.441 -1.494 557 H ASP 75 H ASP 75 8.724 -8.621 0.385 558 HA ASP 75 HA ASP 75 7.412 -8.492 -2.176 559 HB2 ASP 75 HB2 ASP 75 6.454 -9.207 0.594 560 HB3 ASP 75 HB3 ASP 75 5.362 -9.119 -0.782 561 H ALA 76 H ALA 76 7.847 -6.326 0.445 562 HA ALA 76 HA ALA 76 5.612 -4.643 -0.009 563 HB1 ALA 76 HB1 ALA 76 6.905 -4.428 2.024 564 HB2 ALA 76 HB2 ALA 76 6.977 -2.905 1.134 565 HB3 ALA 76 HB3 ALA 76 8.353 -4.010 1.104 566 H GLU 77 H GLU 77 8.998 -4.327 -1.074 567 HA GLU 77 HA GLU 77 8.562 -2.323 -3.008 568 HB2 GLU 77 HB2 GLU 77 10.790 -2.791 -2.286 569 HB3 GLU 77 HB3 GLU 77 10.647 -4.488 -2.713 570 HG2 GLU 77 HG2 GLU 77 10.637 -3.938 -5.056 571 HG3 GLU 77 HG3 GLU 77 10.659 -2.214 -4.684 572 H ARG 78 H ARG 78 8.123 -5.792 -3.064 573 HA ARG 78 HA ARG 78 7.899 -6.101 -5.862 574 HB2 ARG 78 HB2 ARG 78 8.306 -7.931 -4.201 575 HB3 ARG 78 HB3 ARG 78 6.632 -7.773 -3.696 576 HG2 ARG 78 HG2 ARG 78 5.835 -8.555 -5.768 577 HG3 ARG 78 HG3 ARG 78 7.427 -8.422 -6.513 578 HD2 ARG 78 HD2 ARG 78 8.271 -10.158 -5.017 579 HD3 ARG 78 HD3 ARG 78 6.682 -10.284 -4.263 580 HE ARG 78 HE ARG 78 5.980 -10.876 -6.694 581 HH11 ARG 78 HH11 ARG 78 9.029 -11.747 -5.215 582 HH12 ARG 78 HH12 ARG 78 9.124 -13.286 -6.004 583 HH21 ARG 78 HH21 ARG 78 6.118 -12.909 -7.758 584 HH22 ARG 78 HH22 ARG 78 7.491 -13.930 -7.470 585 H ALA 79 H ALA 79 5.639 -5.305 -3.278 586 HA ALA 79 HA ALA 79 3.341 -5.365 -4.952 587 HB1 ALA 79 HB1 ALA 79 3.766 -4.042 -2.268 588 HB2 ALA 79 HB2 ALA 79 3.063 -5.631 -2.568 589 HB3 ALA 79 HB3 ALA 79 2.206 -4.178 -3.090 590 H ILE 80 H ILE 80 5.664 -2.887 -4.028 591 HA ILE 80 HA ILE 80 4.189 -0.723 -5.100 592 HB ILE 80 HB ILE 80 7.160 -0.877 -4.793 593 HG12 ILE 80 HG12 ILE 80 5.052 0.035 -2.826 594 HG13 ILE 80 HG13 ILE 80 5.957 -1.469 -2.711 595 HG21 ILE 80 HG21 ILE 80 6.248 0.984 -6.154 596 HG22 ILE 80 HG22 ILE 80 7.060 1.517 -4.675 597 HG23 ILE 80 HG23 ILE 80 5.293 1.485 -4.751 598 HD11 ILE 80 HD11 ILE 80 7.121 1.290 -2.606 599 HD12 ILE 80 HD12 ILE 80 8.011 -0.226 -2.460 600 HD13 ILE 80 HD13 ILE 80 6.833 0.229 -1.229 601 H ASN 81 H ASN 81 6.539 -2.905 -6.579 602 HA ASN 81 HA ASN 81 6.504 -1.262 -8.956 603 HB2 ASN 81 HB2 ASN 81 8.001 -3.016 -9.904 604 HB3 ASN 81 HB3 ASN 81 8.599 -2.235 -8.440 605 HD21 ASN 81 HD21 ASN 81 9.851 -3.697 -7.570 606 HD22 ASN 81 HD22 ASN 81 9.370 -5.293 -7.123 607 H THR 82 H THR 82 4.970 -4.088 -7.755 608 HA THR 82 HA THR 82 3.936 -4.812 -10.350 609 HB THR 82 HB THR 82 3.766 -6.038 -7.632 610 HG1 THR 82 HG1 THR 82 5.695 -6.354 -8.783 611 HG21 THR 82 HG21 THR 82 2.300 -6.874 -10.123 612 HG22 THR 82 HG22 THR 82 1.642 -6.581 -8.506 613 HG23 THR 82 HG23 THR 82 2.653 -7.994 -8.807 614 H LEU 83 H LEU 83 2.512 -4.095 -7.147 615 HA LEU 83 HA LEU 83 -0.144 -4.023 -8.279 616 HB2 LEU 83 HB2 LEU 83 0.889 -3.670 -5.492 617 HB3 LEU 83 HB3 LEU 83 -0.806 -3.608 -5.891 618 HG LEU 83 HG LEU 83 1.046 -5.981 -6.129 619 HD11 LEU 83 HD11 LEU 83 -0.924 -6.844 -4.592 620 HD12 LEU 83 HD12 LEU 83 -1.051 -5.120 -4.219 621 HD13 LEU 83 HD13 LEU 83 0.465 -5.970 -3.937 622 HD21 LEU 83 HD21 LEU 83 -0.344 -6.308 -7.942 623 HD22 LEU 83 HD22 LEU 83 -1.738 -5.567 -7.155 624 HD23 LEU 83 HD23 LEU 83 -1.180 -7.170 -6.648 625 H ASN 84 H ASN 84 2.233 -1.666 -7.306 626 HA ASN 84 HA ASN 84 0.391 0.450 -6.874 627 HB2 ASN 84 HB2 ASN 84 2.518 0.686 -5.904 628 HB3 ASN 84 HB3 ASN 84 3.341 0.344 -7.419 629 HD21 ASN 84 HD21 ASN 84 4.561 2.194 -7.046 630 HD22 ASN 84 HD22 ASN 84 3.943 3.758 -7.425 631 H GLY 85 H GLY 85 -0.907 1.268 -8.293 632 HA2 GLY 85 HA2 GLY 85 -1.549 2.324 -10.281 633 HA3 GLY 85 HA3 GLY 85 -0.096 1.733 -11.059 634 H LEU 86 H LEU 86 -1.943 -0.459 -9.167 635 HA LEU 86 HA LEU 86 -2.739 -1.855 -11.620 636 HB2 LEU 86 HB2 LEU 86 -1.302 -3.111 -10.152 637 HB3 LEU 86 HB3 LEU 86 -2.338 -2.802 -8.782 638 HG LEU 86 HG LEU 86 -3.791 -4.503 -9.338 639 HD11 LEU 86 HD11 LEU 86 -4.572 -3.942 -11.489 640 HD12 LEU 86 HD12 LEU 86 -3.760 -5.487 -11.730 641 HD13 LEU 86 HD13 LEU 86 -2.952 -3.985 -12.180 642 HD21 LEU 86 HD21 LEU 86 -1.333 -5.427 -10.770 643 HD22 LEU 86 HD22 LEU 86 -2.510 -6.399 -9.885 644 HD23 LEU 86 HD23 LEU 86 -1.446 -5.288 -9.020 645 H ARG 87 H ARG 87 -4.812 -2.460 -11.961 646 HA ARG 87 HA ARG 87 -6.732 -0.634 -10.888 647 HB2 ARG 87 HB2 ARG 87 -6.950 -2.835 -12.931 648 HB3 ARG 87 HB3 ARG 87 -8.299 -1.802 -12.475 649 HG2 ARG 87 HG2 ARG 87 -5.694 -0.757 -13.541 650 HG3 ARG 87 HG3 ARG 87 -7.091 -1.122 -14.556 651 HD2 ARG 87 HD2 ARG 87 -8.420 0.508 -13.339 652 HD3 ARG 87 HD3 ARG 87 -7.067 0.831 -12.256 653 HE ARG 87 HE ARG 87 -5.990 1.380 -14.639 654 HH11 ARG 87 HH11 ARG 87 -9.060 2.352 -13.247 655 HH12 ARG 87 HH12 ARG 87 -9.087 3.874 -14.077 656 HH21 ARG 87 HH21 ARG 87 -6.030 3.374 -15.714 657 HH22 ARG 87 HH22 ARG 87 -7.369 4.455 -15.480 658 H LEU 88 H LEU 88 -7.438 -1.002 -8.918 659 HA LEU 88 HA LEU 88 -8.534 -3.627 -8.244 660 HB2 LEU 88 HB2 LEU 88 -7.485 -1.351 -6.734 661 HB3 LEU 88 HB3 LEU 88 -8.981 -2.003 -6.088 662 HG LEU 88 HG LEU 88 -6.528 -3.663 -6.641 663 HD11 LEU 88 HD11 LEU 88 -6.243 -1.932 -4.844 664 HD12 LEU 88 HD12 LEU 88 -6.062 -3.608 -4.324 665 HD13 LEU 88 HD13 LEU 88 -7.553 -2.730 -3.976 666 HD21 LEU 88 HD21 LEU 88 -9.104 -4.212 -5.182 667 HD22 LEU 88 HD22 LEU 88 -7.720 -5.305 -5.253 668 HD23 LEU 88 HD23 LEU 88 -8.604 -4.903 -6.725 669 H GLN 89 H GLN 89 -10.557 -3.886 -8.951 670 HA GLN 89 HA GLN 89 -12.714 -3.458 -9.555 671 HB2 GLN 89 HB2 GLN 89 -12.484 -1.471 -7.328 672 HB3 GLN 89 HB3 GLN 89 -14.002 -2.009 -8.032 673 HG2 GLN 89 HG2 GLN 89 -13.511 -4.294 -7.299 674 HG3 GLN 89 HG3 GLN 89 -12.005 -3.726 -6.582 675 HE21 GLN 89 HE21 GLN 89 -13.193 -1.243 -5.654 676 HE22 GLN 89 HE22 GLN 89 -14.179 -1.651 -4.298 677 H SER 90 H SER 90 -10.661 -2.133 -10.903 678 HA SER 90 HA SER 90 -10.542 -0.803 -12.729 679 HB2 SER 90 HB2 SER 90 -13.300 -0.133 -11.917 680 HB3 SER 90 HB3 SER 90 -12.535 0.680 -13.274 681 HG SER 90 HG SER 90 -12.076 -1.743 -13.810 682 H LYS 91 H LYS 91 -10.370 0.118 -9.665 683 HA LYS 91 HA LYS 91 -9.829 2.953 -10.237 684 HB2 LYS 91 HB2 LYS 91 -11.125 1.842 -8.143 685 HB3 LYS 91 HB3 LYS 91 -9.494 1.846 -7.523 686 HG2 LYS 91 HG2 LYS 91 -10.920 4.276 -8.520 687 HG3 LYS 91 HG3 LYS 91 -10.817 3.789 -6.830 688 HD2 LYS 91 HD2 LYS 91 -8.299 3.716 -7.215 689 HD3 LYS 91 HD3 LYS 91 -8.645 4.646 -8.661 690 HE2 LYS 91 HE2 LYS 91 -9.821 6.288 -7.214 691 HE3 LYS 91 HE3 LYS 91 -9.251 5.396 -5.816 692 HZ1 LYS 91 HZ1 LYS 91 -7.604 6.765 -7.870 693 HZ2 LYS 91 HZ2 LYS 91 -6.991 5.786 -6.640 694 HZ3 LYS 91 HZ3 LYS 91 -7.794 7.219 -6.250 695 H THR 92 H THR 92 -7.736 3.743 -10.114 696 HA THR 92 HA THR 92 -5.636 1.728 -10.035 697 HB THR 92 HB THR 92 -4.797 4.495 -10.460 698 HG1 THR 92 HG1 THR 92 -5.736 4.518 -12.610 699 HG21 THR 92 HG21 THR 92 -3.601 3.488 -12.342 700 HG22 THR 92 HG22 THR 92 -4.467 1.975 -12.088 701 HG23 THR 92 HG23 THR 92 -3.340 2.562 -10.864 702 H ILE 93 H ILE 93 -4.442 1.392 -8.316 703 HA ILE 93 HA ILE 93 -4.646 3.225 -6.049 704 HB ILE 93 HB ILE 93 -3.974 1.359 -4.694 705 HG12 ILE 93 HG12 ILE 93 -3.498 -0.036 -7.335 706 HG13 ILE 93 HG13 ILE 93 -2.290 0.361 -6.116 707 HG21 ILE 93 HG21 ILE 93 -5.897 0.265 -6.727 708 HG22 ILE 93 HG22 ILE 93 -6.337 1.553 -5.603 709 HG23 ILE 93 HG23 ILE 93 -5.869 -0.033 -4.984 710 HD11 ILE 93 HD11 ILE 93 -2.811 -1.982 -6.055 711 HD12 ILE 93 HD12 ILE 93 -4.524 -1.621 -5.846 712 HD13 ILE 93 HD13 ILE 93 -3.374 -1.204 -4.576 713 H LYS 94 H LYS 94 -2.643 3.436 -4.662 714 HA LYS 94 HA LYS 94 -0.163 2.991 -6.147 715 HB2 LYS 94 HB2 LYS 94 -0.681 5.388 -6.484 716 HB3 LYS 94 HB3 LYS 94 -0.732 5.616 -4.742 717 HG2 LYS 94 HG2 LYS 94 1.554 5.233 -4.503 718 HG3 LYS 94 HG3 LYS 94 1.687 4.496 -6.095 719 HD2 LYS 94 HD2 LYS 94 0.897 7.370 -5.782 720 HD3 LYS 94 HD3 LYS 94 2.587 6.869 -5.791 721 HE2 LYS 94 HE2 LYS 94 2.157 7.439 -8.012 722 HE3 LYS 94 HE3 LYS 94 2.051 5.683 -7.985 723 HZ1 LYS 94 HZ1 LYS 94 -0.266 7.535 -7.905 724 HZ2 LYS 94 HZ2 LYS 94 -0.343 5.847 -7.964 725 HZ3 LYS 94 HZ3 LYS 94 0.277 6.707 -9.273 726 H VAL 95 H VAL 95 0.948 1.678 -4.974 727 HA VAL 95 HA VAL 95 0.661 1.747 -2.074 728 HB VAL 95 HB VAL 95 0.761 -0.463 -2.084 729 HG11 VAL 95 HG11 VAL 95 0.312 -1.649 -4.170 730 HG12 VAL 95 HG12 VAL 95 0.798 -0.217 -5.080 731 HG13 VAL 95 HG13 VAL 95 -0.630 -0.157 -4.047 732 HG21 VAL 95 HG21 VAL 95 3.188 -0.129 -3.774 733 HG22 VAL 95 HG22 VAL 95 2.549 -1.721 -3.372 734 HG23 VAL 95 HG23 VAL 95 3.075 -0.627 -2.090 735 H SER 96 H SER 96 2.394 1.973 -0.733 736 HA SER 96 HA SER 96 5.080 2.337 -1.691 737 HB2 SER 96 HB2 SER 96 3.434 4.687 -0.714 738 HB3 SER 96 HB3 SER 96 5.191 4.706 -0.846 739 HG SER 96 HG SER 96 3.862 3.867 -3.119 740 H TYR 97 H TYR 97 6.539 2.855 0.180 741 HA TYR 97 HA TYR 97 5.851 1.391 2.512 742 HB2 TYR 97 HB2 TYR 97 7.993 3.497 2.535 743 HB3 TYR 97 HB3 TYR 97 7.962 1.941 3.353 744 HD1 TYR 97 HD1 TYR 97 9.292 3.752 0.688 745 HD2 TYR 97 HD2 TYR 97 7.990 -0.161 1.727 746 HE1 TYR 97 HE1 TYR 97 10.654 2.837 -1.132 747 HE2 TYR 97 HE2 TYR 97 9.352 -1.099 -0.098 748 HH TYR 97 HH TYR 97 11.692 0.735 -1.791 749 H ALA 98 H ALA 98 4.244 2.055 3.787 750 HA ALA 98 HA ALA 98 3.614 4.791 4.248 751 HB1 ALA 98 HB1 ALA 98 1.974 4.034 5.757 752 HB2 ALA 98 HB2 ALA 98 2.855 2.545 6.098 753 HB3 ALA 98 HB3 ALA 98 2.062 2.761 4.538 754 H ARG 99 H ARG 99 5.010 6.073 5.211 755 HA ARG 99 HA ARG 99 7.359 5.505 6.364 756 HB2 ARG 99 HB2 ARG 99 7.219 7.733 7.498 757 HB3 ARG 99 HB3 ARG 99 6.818 7.750 5.788 758 HG2 ARG 99 HG2 ARG 99 4.412 7.694 6.418 759 HG3 ARG 99 HG3 ARG 99 4.900 7.865 8.103 760 HD2 ARG 99 HD2 ARG 99 4.344 10.035 7.300 761 HD3 ARG 99 HD3 ARG 99 6.097 9.963 7.450 762 HE ARG 99 HE ARG 99 6.218 9.720 5.042 763 HH11 ARG 99 HH11 ARG 99 3.131 10.747 6.345 764 HH12 ARG 99 HH12 ARG 99 2.606 11.482 4.864 765 HH21 ARG 99 HH21 ARG 99 5.535 10.682 3.083 766 HH22 ARG 99 HH22 ARG 99 3.974 11.454 3.011 767 HA PRO 100 HA PRO 100 6.231 3.111 9.976 768 HB2 PRO 100 HB2 PRO 100 9.167 3.393 10.383 769 HB3 PRO 100 HB3 PRO 100 8.162 1.945 10.397 770 HG2 PRO 100 HG2 PRO 100 9.724 2.459 8.324 771 HG3 PRO 100 HG3 PRO 100 8.096 1.796 8.087 772 HD2 PRO 100 HD2 PRO 100 9.074 4.590 7.719 773 HD3 PRO 100 HD3 PRO 100 7.915 3.665 6.749 774 H SER 101 H SER 101 5.667 3.713 11.940 775 HA SER 101 HA SER 101 5.285 4.963 13.773 776 HB2 SER 101 HB2 SER 101 7.483 4.045 14.323 777 HB3 SER 101 HB3 SER 101 8.252 5.441 13.582 778 HG SER 101 HG SER 101 7.836 6.579 15.308 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 4.438 4.065 -13.794 2 H2 GLY 1 H2 GLY 1 5.765 3.736 -12.804 3 H3 GLY 1 H3 GLY 1 5.655 3.026 -14.333 4 HA2 GLY 1 HA2 GLY 1 5.835 5.192 -15.387 5 HA3 GLY 1 HA3 GLY 1 5.969 5.926 -13.795 6 H HIS 2 H HIS 2 8.010 6.786 -14.552 7 HA HIS 2 HA HIS 2 10.176 4.872 -14.935 8 HB2 HIS 2 HB2 HIS 2 10.098 7.894 -15.012 9 HB3 HIS 2 HB3 HIS 2 11.574 6.958 -15.214 10 HD1 HIS 2 HD1 HIS 2 8.861 8.419 -17.100 11 HD2 HIS 2 HD2 HIS 2 11.386 5.147 -17.553 12 HE1 HIS 2 HE1 HIS 2 8.756 7.812 -19.536 13 HE2 HIS 2 HE2 HIS 2 10.175 5.746 -19.756 14 H MET 3 H MET 3 8.610 6.098 -12.362 15 HA MET 3 HA MET 3 10.989 5.887 -10.639 16 HB2 MET 3 HB2 MET 3 10.137 8.184 -10.654 17 HB3 MET 3 HB3 MET 3 8.527 7.607 -10.254 18 HG2 MET 3 HG2 MET 3 9.541 8.520 -8.295 19 HG3 MET 3 HG3 MET 3 9.390 6.777 -8.103 20 HE1 MET 3 HE1 MET 3 13.363 8.941 -9.038 21 HE2 MET 3 HE2 MET 3 11.806 9.755 -8.875 22 HE3 MET 3 HE3 MET 3 12.111 8.703 -10.257 23 H SER 4 H SER 4 10.865 4.383 -9.036 24 HA SER 4 HA SER 4 8.561 2.637 -9.031 25 HB2 SER 4 HB2 SER 4 11.093 2.504 -7.377 26 HB3 SER 4 HB3 SER 4 9.902 1.216 -7.565 27 HG SER 4 HG SER 4 10.649 2.048 -9.989 28 H ASN 5 H ASN 5 7.891 5.165 -8.135 29 HA ASN 5 HA ASN 5 6.882 4.528 -5.502 30 HB2 ASN 5 HB2 ASN 5 8.970 5.679 -4.938 31 HB3 ASN 5 HB3 ASN 5 8.527 7.032 -5.970 32 HD21 ASN 5 HD21 ASN 5 6.233 5.349 -3.927 33 HD22 ASN 5 HD22 ASN 5 5.987 6.648 -2.815 34 H GLY 6 H GLY 6 7.153 7.642 -7.198 35 HA2 GLY 6 HA2 GLY 6 5.573 8.872 -8.345 36 HA3 GLY 6 HA3 GLY 6 4.523 7.464 -8.323 37 H TYR 7 H TYR 7 4.730 7.267 -5.381 38 HA TYR 7 HA TYR 7 2.444 8.837 -4.768 39 HB2 TYR 7 HB2 TYR 7 2.776 6.603 -3.826 40 HB3 TYR 7 HB3 TYR 7 4.220 7.151 -2.987 41 HD1 TYR 7 HD1 TYR 7 0.651 8.259 -3.305 42 HD2 TYR 7 HD2 TYR 7 3.965 7.461 -0.733 43 HE1 TYR 7 HE1 TYR 7 -0.713 8.886 -1.358 44 HE2 TYR 7 HE2 TYR 7 2.595 8.094 1.219 45 HH TYR 7 HH TYR 7 0.599 9.479 1.699 46 H GLU 8 H GLU 8 5.800 9.378 -4.536 47 HA GLU 8 HA GLU 8 7.046 11.134 -3.846 48 HB2 GLU 8 HB2 GLU 8 5.238 12.461 -4.914 49 HB3 GLU 8 HB3 GLU 8 4.400 12.519 -3.369 50 HG2 GLU 8 HG2 GLU 8 6.329 13.714 -2.412 51 HG3 GLU 8 HG3 GLU 8 7.085 13.712 -4.004 52 H ASP 9 H ASP 9 7.714 9.825 -2.154 53 HA ASP 9 HA ASP 9 7.115 10.814 0.485 54 HB2 ASP 9 HB2 ASP 9 5.406 9.121 0.342 55 HB3 ASP 9 HB3 ASP 9 6.548 7.956 -0.316 56 H HIS 10 H HIS 10 8.869 8.921 -1.698 57 HA HIS 10 HA HIS 10 11.352 9.368 -0.283 58 HB2 HIS 10 HB2 HIS 10 11.942 6.842 -0.842 59 HB3 HIS 10 HB3 HIS 10 11.129 7.248 0.658 60 HD1 HIS 10 HD1 HIS 10 8.503 6.759 0.714 61 HD2 HIS 10 HD2 HIS 10 10.588 5.177 -2.524 62 HE1 HIS 10 HE1 HIS 10 6.937 5.127 -0.366 63 HE2 HIS 10 HE2 HIS 10 8.319 3.999 -2.160 64 H MET 11 H MET 11 10.336 10.574 -2.471 65 HA MET 11 HA MET 11 11.772 9.368 -4.746 66 HB2 MET 11 HB2 MET 11 9.387 9.261 -5.139 67 HB3 MET 11 HB3 MET 11 9.195 10.950 -4.690 68 HG2 MET 11 HG2 MET 11 10.464 11.627 -6.642 69 HG3 MET 11 HG3 MET 11 10.699 9.939 -7.089 70 HE1 MET 11 HE1 MET 11 6.672 12.201 -7.223 71 HE2 MET 11 HE2 MET 11 8.227 12.936 -6.840 72 HE3 MET 11 HE3 MET 11 7.471 11.826 -5.699 73 H ALA 12 H ALA 12 10.615 12.374 -3.291 74 HA ALA 12 HA ALA 12 12.840 13.817 -4.598 75 HB1 ALA 12 HB1 ALA 12 10.613 14.563 -5.316 76 HB2 ALA 12 HB2 ALA 12 11.454 15.823 -4.410 77 HB3 ALA 12 HB3 ALA 12 10.184 14.875 -3.631 78 H GLU 13 H GLU 13 11.280 12.924 -1.710 79 HA GLU 13 HA GLU 13 12.797 14.849 -0.100 80 HB2 GLU 13 HB2 GLU 13 11.078 14.294 1.664 81 HB3 GLU 13 HB3 GLU 13 10.461 15.132 0.253 82 HG2 GLU 13 HG2 GLU 13 10.267 12.156 0.653 83 HG3 GLU 13 HG3 GLU 13 9.006 13.295 1.102 84 H ASP 14 H ASP 14 14.592 13.276 -0.545 85 HA ASP 14 HA ASP 14 16.067 11.688 0.154 86 HB2 ASP 14 HB2 ASP 14 15.002 12.684 2.480 87 HB3 ASP 14 HB3 ASP 14 14.648 10.956 2.598 88 H CYS 15 H CYS 15 15.249 9.419 1.974 89 HA CYS 15 HA CYS 15 13.255 7.980 0.586 90 HB2 CYS 15 HB2 CYS 15 14.976 8.146 -1.132 91 HB3 CYS 15 HB3 CYS 15 16.109 7.334 -0.061 92 HG CYS 15 HG CYS 15 14.046 5.109 0.001 93 H ARG 16 H ARG 16 14.983 8.395 3.308 94 HA ARG 16 HA ARG 16 15.339 5.683 4.068 95 HB2 ARG 16 HB2 ARG 16 15.226 8.239 5.626 96 HB3 ARG 16 HB3 ARG 16 15.162 6.682 6.454 97 HG2 ARG 16 HG2 ARG 16 17.430 7.599 6.356 98 HG3 ARG 16 HG3 ARG 16 17.286 6.048 5.541 99 HD2 ARG 16 HD2 ARG 16 17.146 7.247 3.376 100 HD3 ARG 16 HD3 ARG 16 17.410 8.762 4.243 101 HE ARG 16 HE ARG 16 19.404 6.640 4.537 102 HH11 ARG 16 HH11 ARG 16 18.517 9.755 3.176 103 HH12 ARG 16 HH12 ARG 16 20.161 10.179 2.788 104 HH21 ARG 16 HH21 ARG 16 21.540 7.201 4.029 105 HH22 ARG 16 HH22 ARG 16 21.881 8.727 3.274 106 H GLY 17 H GLY 17 14.010 4.413 5.393 107 HA2 GLY 17 HA2 GLY 17 11.724 3.840 6.025 108 HA3 GLY 17 HA3 GLY 17 11.175 5.023 4.835 109 H ASP 18 H ASP 18 13.888 3.059 4.191 110 HA ASP 18 HA ASP 18 12.393 1.228 2.462 111 HB2 ASP 18 HB2 ASP 18 13.276 3.037 1.026 112 HB3 ASP 18 HB3 ASP 18 14.887 2.786 1.687 113 H ILE 19 H ILE 19 13.735 1.366 5.100 114 HA ILE 19 HA ILE 19 16.215 -0.072 4.900 115 HB ILE 19 HB ILE 19 15.105 0.202 7.569 116 HG12 ILE 19 HG12 ILE 19 15.697 2.856 7.129 117 HG13 ILE 19 HG13 ILE 19 14.852 2.412 5.660 118 HG21 ILE 19 HG21 ILE 19 17.570 1.304 6.232 119 HG22 ILE 19 HG22 ILE 19 17.456 -0.228 7.097 120 HG23 ILE 19 HG23 ILE 19 17.260 1.294 7.967 121 HD11 ILE 19 HD11 ILE 19 13.754 1.962 8.413 122 HD12 ILE 19 HD12 ILE 19 12.926 1.714 6.870 123 HD13 ILE 19 HD13 ILE 19 13.373 3.343 7.386 124 H GLY 20 H GLY 20 13.454 -0.591 7.042 125 HA2 GLY 20 HA2 GLY 20 13.506 -3.467 6.340 126 HA3 GLY 20 HA3 GLY 20 13.402 -2.932 8.015 127 H ARG 21 H ARG 21 11.882 -0.943 5.818 128 HA ARG 21 HA ARG 21 9.397 -0.920 6.892 129 HB2 ARG 21 HB2 ARG 21 8.732 -0.264 4.397 130 HB3 ARG 21 HB3 ARG 21 9.617 0.809 5.471 131 HG2 ARG 21 HG2 ARG 21 10.615 0.785 3.273 132 HG3 ARG 21 HG3 ARG 21 11.717 0.103 4.467 133 HD2 ARG 21 HD2 ARG 21 11.203 -2.133 3.728 134 HD3 ARG 21 HD3 ARG 21 9.947 -1.533 2.651 135 HE ARG 21 HE ARG 21 12.265 -0.311 1.818 136 HH11 ARG 21 HH11 ARG 21 11.132 -3.587 2.197 137 HH12 ARG 21 HH12 ARG 21 12.104 -4.215 0.906 138 HH21 ARG 21 HH21 ARG 21 13.534 -1.105 0.110 139 HH22 ARG 21 HH22 ARG 21 13.479 -2.801 -0.280 140 H THR 22 H THR 22 7.761 -2.265 7.044 141 HA THR 22 HA THR 22 7.353 -4.262 4.905 142 HB THR 22 HB THR 22 6.218 -5.649 6.674 143 HG1 THR 22 HG1 THR 22 5.787 -4.098 8.250 144 HG21 THR 22 HG21 THR 22 9.121 -4.957 7.161 145 HG22 THR 22 HG22 THR 22 8.506 -6.160 6.025 146 HG23 THR 22 HG23 THR 22 8.307 -6.404 7.760 147 H ASN 23 H ASN 23 6.132 -1.662 6.723 148 HA ASN 23 HA ASN 23 3.329 -2.143 6.274 149 HB2 ASN 23 HB2 ASN 23 4.331 -0.807 8.200 150 HB3 ASN 23 HB3 ASN 23 4.673 0.459 7.016 151 HD21 ASN 23 HD21 ASN 23 3.323 1.820 8.290 152 HD22 ASN 23 HD22 ASN 23 1.602 1.736 8.136 153 H LEU 24 H LEU 24 2.285 -1.695 4.446 154 HA LEU 24 HA LEU 24 3.545 0.191 2.574 155 HB2 LEU 24 HB2 LEU 24 2.820 -2.508 2.224 156 HB3 LEU 24 HB3 LEU 24 1.646 -1.569 1.322 157 HG LEU 24 HG LEU 24 3.390 -0.552 -0.002 158 HD11 LEU 24 HD11 LEU 24 5.142 -0.338 1.647 159 HD12 LEU 24 HD12 LEU 24 5.741 -1.254 0.266 160 HD13 LEU 24 HD13 LEU 24 5.297 -2.091 1.753 161 HD21 LEU 24 HD21 LEU 24 3.896 -3.502 0.229 162 HD22 LEU 24 HD22 LEU 24 4.169 -2.477 -1.182 163 HD23 LEU 24 HD23 LEU 24 2.527 -2.782 -0.613 164 H ILE 25 H ILE 25 2.533 2.026 2.601 165 HA ILE 25 HA ILE 25 -0.291 2.242 3.120 166 HB ILE 25 HB ILE 25 1.306 4.012 3.842 167 HG12 ILE 25 HG12 ILE 25 -0.906 4.799 1.952 168 HG13 ILE 25 HG13 ILE 25 -1.020 4.502 3.685 169 HG21 ILE 25 HG21 ILE 25 1.514 4.660 0.912 170 HG22 ILE 25 HG22 ILE 25 2.797 3.976 1.913 171 HG23 ILE 25 HG23 ILE 25 2.191 5.602 2.241 172 HD11 ILE 25 HD11 ILE 25 -1.077 6.879 3.138 173 HD12 ILE 25 HD12 ILE 25 0.528 6.741 2.418 174 HD13 ILE 25 HD13 ILE 25 0.308 6.456 4.144 175 H VAL 26 H VAL 26 -1.790 2.008 1.632 176 HA VAL 26 HA VAL 26 -0.960 2.176 -1.194 177 HB VAL 26 HB VAL 26 -3.272 0.563 -0.135 178 HG11 VAL 26 HG11 VAL 26 -3.118 -0.537 -2.318 179 HG12 VAL 26 HG12 VAL 26 -1.779 0.521 -2.757 180 HG13 VAL 26 HG13 VAL 26 -3.384 1.197 -2.498 181 HG21 VAL 26 HG21 VAL 26 -1.813 -1.386 -0.379 182 HG22 VAL 26 HG22 VAL 26 -1.204 -0.259 0.837 183 HG23 VAL 26 HG23 VAL 26 -0.467 -0.316 -0.765 184 H ASN 27 H ASN 27 -1.616 4.026 -1.953 185 HA ASN 27 HA ASN 27 -4.068 5.238 -0.925 186 HB2 ASN 27 HB2 ASN 27 -1.617 6.321 -1.541 187 HB3 ASN 27 HB3 ASN 27 -2.560 6.708 -2.967 188 HD21 ASN 27 HD21 ASN 27 -2.019 7.343 0.346 189 HD22 ASN 27 HD22 ASN 27 -3.155 8.632 0.520 190 H TYR 28 H TYR 28 -5.241 6.505 -2.709 191 HA TYR 28 HA TYR 28 -6.571 6.509 -4.541 192 HB2 TYR 28 HB2 TYR 28 -4.350 4.875 -5.775 193 HB3 TYR 28 HB3 TYR 28 -5.618 5.717 -6.655 194 HD1 TYR 28 HD1 TYR 28 -2.523 6.057 -4.773 195 HD2 TYR 28 HD2 TYR 28 -5.559 8.172 -6.859 196 HE1 TYR 28 HE1 TYR 28 -1.086 8.048 -4.789 197 HE2 TYR 28 HE2 TYR 28 -4.136 10.182 -6.897 198 HH TYR 28 HH TYR 28 -2.264 11.144 -5.718 199 H LEU 29 H LEU 29 -6.698 4.279 -2.560 200 HA LEU 29 HA LEU 29 -7.561 1.913 -3.868 201 HB2 LEU 29 HB2 LEU 29 -8.372 3.055 -1.186 202 HB3 LEU 29 HB3 LEU 29 -8.744 1.436 -1.739 203 HG LEU 29 HG LEU 29 -6.056 2.569 -1.018 204 HD11 LEU 29 HD11 LEU 29 -7.477 1.710 0.797 205 HD12 LEU 29 HD12 LEU 29 -6.017 0.750 0.571 206 HD13 LEU 29 HD13 LEU 29 -7.564 0.153 -0.030 207 HD21 LEU 29 HD21 LEU 29 -5.697 1.342 -3.039 208 HD22 LEU 29 HD22 LEU 29 -6.686 0.005 -2.459 209 HD23 LEU 29 HD23 LEU 29 -5.143 0.360 -1.684 210 HA PRO 30 HA PRO 30 -11.529 3.089 -5.511 211 HB2 PRO 30 HB2 PRO 30 -12.461 0.463 -4.506 212 HB3 PRO 30 HB3 PRO 30 -12.511 1.120 -6.139 213 HG2 PRO 30 HG2 PRO 30 -10.778 -0.804 -5.438 214 HG3 PRO 30 HG3 PRO 30 -10.364 0.447 -6.619 215 HD2 PRO 30 HD2 PRO 30 -9.517 0.158 -3.784 216 HD3 PRO 30 HD3 PRO 30 -8.626 0.824 -5.168 217 H GLN 31 H GLN 31 -13.387 3.967 -4.676 218 HA GLN 31 HA GLN 31 -13.320 4.556 -1.905 219 HB2 GLN 31 HB2 GLN 31 -15.455 5.155 -3.949 220 HB3 GLN 31 HB3 GLN 31 -15.327 5.890 -2.355 221 HG2 GLN 31 HG2 GLN 31 -13.237 6.086 -4.501 222 HG3 GLN 31 HG3 GLN 31 -14.459 7.314 -4.180 223 HE21 GLN 31 HE21 GLN 31 -11.550 5.784 -3.042 224 HE22 GLN 31 HE22 GLN 31 -11.173 6.951 -1.825 225 H ASN 32 H ASN 32 -14.689 1.981 -3.604 226 HA ASN 32 HA ASN 32 -16.573 1.421 -1.416 227 HB2 ASN 32 HB2 ASN 32 -17.937 0.208 -3.006 228 HB3 ASN 32 HB3 ASN 32 -17.658 1.834 -3.607 229 HD21 ASN 32 HD21 ASN 32 -18.356 -0.669 -4.999 230 HD22 ASN 32 HD22 ASN 32 -17.133 -0.878 -6.208 231 H MET 33 H MET 33 -13.601 0.626 -2.069 232 HA MET 33 HA MET 33 -13.823 -2.253 -2.279 233 HB2 MET 33 HB2 MET 33 -11.875 -0.469 -2.960 234 HB3 MET 33 HB3 MET 33 -11.244 -1.124 -1.458 235 HG2 MET 33 HG2 MET 33 -11.431 -3.375 -2.341 236 HG3 MET 33 HG3 MET 33 -12.120 -2.748 -3.827 237 HE1 MET 33 HE1 MET 33 -8.807 -2.629 -1.557 238 HE2 MET 33 HE2 MET 33 -9.341 -0.967 -1.839 239 HE3 MET 33 HE3 MET 33 -7.854 -1.553 -2.584 240 H THR 34 H THR 34 -12.462 -3.580 -0.667 241 HA THR 34 HA THR 34 -13.172 -2.732 2.065 242 HB THR 34 HB THR 34 -13.594 -5.014 2.663 243 HG1 THR 34 HG1 THR 34 -13.260 -6.702 1.116 244 HG21 THR 34 HG21 THR 34 -14.770 -4.589 -0.085 245 HG22 THR 34 HG22 THR 34 -15.402 -3.879 1.405 246 HG23 THR 34 HG23 THR 34 -15.411 -5.631 1.190 247 H GLN 35 H GLN 35 -11.806 -3.738 3.790 248 HA GLN 35 HA GLN 35 -9.064 -3.529 3.447 249 HB2 GLN 35 HB2 GLN 35 -10.491 -5.405 5.337 250 HB3 GLN 35 HB3 GLN 35 -8.799 -4.957 5.433 251 HG2 GLN 35 HG2 GLN 35 -9.894 -3.697 7.062 252 HG3 GLN 35 HG3 GLN 35 -9.563 -2.592 5.737 253 HE21 GLN 35 HE21 GLN 35 -12.140 -4.952 5.611 254 HE22 GLN 35 HE22 GLN 35 -13.444 -3.812 5.705 255 H ASP 36 H ASP 36 -11.150 -6.354 3.208 256 HA ASP 36 HA ASP 36 -9.113 -8.290 2.884 257 HB2 ASP 36 HB2 ASP 36 -11.482 -8.776 3.486 258 HB3 ASP 36 HB3 ASP 36 -11.971 -8.348 1.849 259 H GLU 37 H GLU 37 -10.853 -6.298 0.511 260 HA GLU 37 HA GLU 37 -9.758 -7.583 -1.772 261 HB2 GLU 37 HB2 GLU 37 -10.699 -4.735 -1.412 262 HB3 GLU 37 HB3 GLU 37 -10.401 -5.511 -2.959 263 HG2 GLU 37 HG2 GLU 37 -12.458 -6.415 -0.959 264 HG3 GLU 37 HG3 GLU 37 -12.798 -5.383 -2.344 265 H LEU 38 H LEU 38 -8.885 -4.666 0.009 266 HA LEU 38 HA LEU 38 -6.500 -4.043 -1.329 267 HB2 LEU 38 HB2 LEU 38 -7.743 -2.517 0.141 268 HB3 LEU 38 HB3 LEU 38 -7.428 -3.541 1.515 269 HG LEU 38 HG LEU 38 -6.081 -1.326 1.133 270 HD11 LEU 38 HD11 LEU 38 -4.307 -2.191 2.453 271 HD12 LEU 38 HD12 LEU 38 -4.654 -3.839 1.932 272 HD13 LEU 38 HD13 LEU 38 -5.806 -2.973 2.957 273 HD21 LEU 38 HD21 LEU 38 -5.328 -1.847 -1.108 274 HD22 LEU 38 HD22 LEU 38 -4.535 -3.306 -0.515 275 HD23 LEU 38 HD23 LEU 38 -3.954 -1.718 -0.008 276 H ARG 39 H ARG 39 -7.306 -6.336 1.111 277 HA ARG 39 HA ARG 39 -4.650 -6.900 1.989 278 HB2 ARG 39 HB2 ARG 39 -6.870 -7.014 3.300 279 HB3 ARG 39 HB3 ARG 39 -7.132 -8.527 2.468 280 HG2 ARG 39 HG2 ARG 39 -4.667 -8.130 4.018 281 HG3 ARG 39 HG3 ARG 39 -6.184 -8.575 4.803 282 HD2 ARG 39 HD2 ARG 39 -4.841 -10.008 2.555 283 HD3 ARG 39 HD3 ARG 39 -4.975 -10.532 4.211 284 HE ARG 39 HE ARG 39 -7.528 -10.107 3.081 285 HH11 ARG 39 HH11 ARG 39 -4.898 -12.412 3.247 286 HH12 ARG 39 HH12 ARG 39 -5.904 -13.778 2.885 287 HH21 ARG 39 HH21 ARG 39 -8.861 -11.900 2.583 288 HH22 ARG 39 HH22 ARG 39 -8.146 -13.488 2.496 289 H SER 40 H SER 40 -7.066 -8.498 -0.102 290 HA SER 40 HA SER 40 -5.476 -10.868 -0.405 291 HB2 SER 40 HB2 SER 40 -7.907 -9.961 -1.963 292 HB3 SER 40 HB3 SER 40 -7.208 -11.581 -1.995 293 HG SER 40 HG SER 40 -8.627 -10.277 0.049 294 H LEU 41 H LEU 41 -5.984 -7.948 -2.296 295 HA LEU 41 HA LEU 41 -4.634 -8.772 -4.630 296 HB2 LEU 41 HB2 LEU 41 -6.144 -6.782 -4.305 297 HB3 LEU 41 HB3 LEU 41 -4.825 -6.009 -3.464 298 HG LEU 41 HG LEU 41 -5.359 -5.597 -6.032 299 HD11 LEU 41 HD11 LEU 41 -2.599 -5.705 -4.851 300 HD12 LEU 41 HD12 LEU 41 -3.745 -4.373 -4.696 301 HD13 LEU 41 HD13 LEU 41 -3.075 -4.782 -6.276 302 HD21 LEU 41 HD21 LEU 41 -3.775 -6.835 -7.439 303 HD22 LEU 41 HD22 LEU 41 -4.974 -7.907 -6.715 304 HD23 LEU 41 HD23 LEU 41 -3.336 -7.841 -6.054 305 H PHE 42 H PHE 42 -3.508 -7.363 -1.609 306 HA PHE 42 HA PHE 42 -0.788 -7.407 -2.536 307 HB2 PHE 42 HB2 PHE 42 -2.080 -6.728 0.094 308 HB3 PHE 42 HB3 PHE 42 -0.327 -6.864 -0.064 309 HD1 PHE 42 HD1 PHE 42 0.887 -4.979 -0.667 310 HD2 PHE 42 HD2 PHE 42 -3.239 -5.242 -1.737 311 HE1 PHE 42 HE1 PHE 42 0.980 -2.713 -1.654 312 HE2 PHE 42 HE2 PHE 42 -3.123 -2.998 -2.713 313 HZ PHE 42 HZ PHE 42 -1.012 -1.754 -2.671 314 H SER 43 H SER 43 -2.964 -9.534 -0.927 315 HA SER 43 HA SER 43 -1.028 -11.400 -0.027 316 HB2 SER 43 HB2 SER 43 -3.478 -11.294 0.671 317 HB3 SER 43 HB3 SER 43 -3.857 -12.056 -0.871 318 HG SER 43 HG SER 43 -1.951 -13.514 0.157 319 H SER 44 H SER 44 -2.053 -10.438 -3.109 320 HA SER 44 HA SER 44 -1.579 -12.888 -4.493 321 HB2 SER 44 HB2 SER 44 -2.005 -11.707 -6.462 322 HB3 SER 44 HB3 SER 44 -2.922 -10.762 -5.281 323 HG SER 44 HG SER 44 -1.508 -9.165 -5.421 324 H ILE 45 H ILE 45 0.279 -10.024 -3.697 325 HA ILE 45 HA ILE 45 2.719 -10.802 -4.913 326 HB ILE 45 HB ILE 45 2.107 -8.992 -2.577 327 HG12 ILE 45 HG12 ILE 45 1.508 -8.422 -5.014 328 HG13 ILE 45 HG13 ILE 45 2.406 -7.222 -4.089 329 HG21 ILE 45 HG21 ILE 45 4.435 -8.192 -2.706 330 HG22 ILE 45 HG22 ILE 45 4.795 -9.478 -3.859 331 HG23 ILE 45 HG23 ILE 45 4.337 -9.883 -2.207 332 HD11 ILE 45 HD11 ILE 45 3.192 -7.559 -6.402 333 HD12 ILE 45 HD12 ILE 45 3.681 -9.192 -5.953 334 HD13 ILE 45 HD13 ILE 45 4.426 -7.797 -5.168 335 H GLY 46 H GLY 46 1.376 -11.325 -1.690 336 HA2 GLY 46 HA2 GLY 46 2.662 -13.749 -1.203 337 HA3 GLY 46 HA3 GLY 46 3.691 -12.477 -0.552 338 H GLU 47 H GLU 47 3.282 -13.379 1.577 339 HA GLU 47 HA GLU 47 0.598 -13.343 2.559 340 HB2 GLU 47 HB2 GLU 47 3.155 -14.223 3.550 341 HB3 GLU 47 HB3 GLU 47 2.210 -13.388 4.780 342 HG2 GLU 47 HG2 GLU 47 1.699 -15.926 3.401 343 HG3 GLU 47 HG3 GLU 47 1.371 -15.431 5.054 344 H VAL 48 H VAL 48 -0.393 -11.985 3.775 345 HA VAL 48 HA VAL 48 0.885 -9.361 4.221 346 HB VAL 48 HB VAL 48 -2.016 -9.966 3.566 347 HG11 VAL 48 HG11 VAL 48 -0.691 -7.447 4.540 348 HG12 VAL 48 HG12 VAL 48 -2.103 -8.269 5.205 349 HG13 VAL 48 HG13 VAL 48 -2.216 -7.436 3.654 350 HG21 VAL 48 HG21 VAL 48 -1.616 -8.576 1.616 351 HG22 VAL 48 HG22 VAL 48 -0.481 -9.930 1.657 352 HG23 VAL 48 HG23 VAL 48 0.052 -8.313 2.125 353 H GLU 49 H GLU 49 1.216 -8.869 6.120 354 HA GLU 49 HA GLU 49 0.484 -10.539 8.253 355 HB2 GLU 49 HB2 GLU 49 2.604 -9.379 8.167 356 HB3 GLU 49 HB3 GLU 49 1.772 -7.825 8.238 357 HG2 GLU 49 HG2 GLU 49 0.941 -8.343 10.436 358 HG3 GLU 49 HG3 GLU 49 1.614 -9.969 10.334 359 H SER 50 H SER 50 -0.344 -7.197 7.364 360 HA SER 50 HA SER 50 -3.032 -7.594 8.362 361 HB2 SER 50 HB2 SER 50 -2.908 -5.572 9.867 362 HB3 SER 50 HB3 SER 50 -2.013 -6.973 10.449 363 HG SER 50 HG SER 50 -0.413 -5.613 10.568 364 H ALA 51 H ALA 51 -4.404 -6.520 7.052 365 HA ALA 51 HA ALA 51 -3.332 -4.174 5.648 366 HB1 ALA 51 HB1 ALA 51 -4.572 -4.711 3.683 367 HB2 ALA 51 HB2 ALA 51 -5.336 -6.096 4.476 368 HB3 ALA 51 HB3 ALA 51 -3.605 -6.114 4.136 369 H LYS 52 H LYS 52 -4.292 -2.384 6.082 370 HA LYS 52 HA LYS 52 -6.946 -2.453 7.339 371 HB2 LYS 52 HB2 LYS 52 -5.089 -1.582 8.699 372 HB3 LYS 52 HB3 LYS 52 -4.739 -0.394 7.451 373 HG2 LYS 52 HG2 LYS 52 -7.161 0.392 7.834 374 HG3 LYS 52 HG3 LYS 52 -7.029 -0.505 9.352 375 HD2 LYS 52 HD2 LYS 52 -5.058 1.563 8.433 376 HD3 LYS 52 HD3 LYS 52 -6.405 1.909 9.522 377 HE2 LYS 52 HE2 LYS 52 -4.246 -0.121 10.044 378 HE3 LYS 52 HE3 LYS 52 -4.233 1.524 10.676 379 HZ1 LYS 52 HZ1 LYS 52 -6.246 1.061 11.885 380 HZ2 LYS 52 HZ2 LYS 52 -5.085 -0.102 12.278 381 HZ3 LYS 52 HZ3 LYS 52 -6.346 -0.492 11.226 382 H LEU 53 H LEU 53 -8.582 -1.309 6.463 383 HA LEU 53 HA LEU 53 -7.998 0.344 4.104 384 HB2 LEU 53 HB2 LEU 53 -9.391 -1.565 3.563 385 HB3 LEU 53 HB3 LEU 53 -10.493 -1.181 4.866 386 HG LEU 53 HG LEU 53 -10.606 1.114 3.418 387 HD11 LEU 53 HD11 LEU 53 -10.252 -1.152 1.459 388 HD12 LEU 53 HD12 LEU 53 -9.158 0.223 1.676 389 HD13 LEU 53 HD13 LEU 53 -10.796 0.484 1.067 390 HD21 LEU 53 HD21 LEU 53 -12.729 0.223 2.543 391 HD22 LEU 53 HD22 LEU 53 -12.508 -0.141 4.254 392 HD23 LEU 53 HD23 LEU 53 -12.242 -1.395 3.044 393 H ILE 54 H ILE 54 -8.630 2.436 4.153 394 HA ILE 54 HA ILE 54 -9.629 3.387 6.740 395 HB ILE 54 HB ILE 54 -8.451 4.992 4.481 396 HG12 ILE 54 HG12 ILE 54 -6.757 3.469 5.265 397 HG13 ILE 54 HG13 ILE 54 -6.388 5.070 5.890 398 HG21 ILE 54 HG21 ILE 54 -8.165 6.742 6.162 399 HG22 ILE 54 HG22 ILE 54 -8.911 5.702 7.378 400 HG23 ILE 54 HG23 ILE 54 -9.860 6.278 6.006 401 HD11 ILE 54 HD11 ILE 54 -7.271 4.437 8.062 402 HD12 ILE 54 HD12 ILE 54 -6.009 3.317 7.543 403 HD13 ILE 54 HD13 ILE 54 -7.703 2.847 7.432 404 H ARG 55 H ARG 55 -11.686 3.979 6.919 405 HA ARG 55 HA ARG 55 -13.028 5.035 4.527 406 HB2 ARG 55 HB2 ARG 55 -14.423 3.330 6.586 407 HB3 ARG 55 HB3 ARG 55 -15.057 3.904 5.050 408 HG2 ARG 55 HG2 ARG 55 -13.053 2.515 4.076 409 HG3 ARG 55 HG3 ARG 55 -13.200 1.662 5.615 410 HD2 ARG 55 HD2 ARG 55 -15.370 2.070 3.561 411 HD3 ARG 55 HD3 ARG 55 -14.540 0.558 3.931 412 HE ARG 55 HE ARG 55 -15.689 1.484 6.294 413 HH11 ARG 55 HH11 ARG 55 -16.724 0.352 3.150 414 HH12 ARG 55 HH12 ARG 55 -18.234 -0.276 3.727 415 HH21 ARG 55 HH21 ARG 55 -17.668 0.677 7.063 416 HH22 ARG 55 HH22 ARG 55 -18.775 -0.089 5.968 417 H ASP 56 H ASP 56 -15.059 6.230 5.132 418 HA ASP 56 HA ASP 56 -14.392 8.189 7.118 419 HB2 ASP 56 HB2 ASP 56 -15.567 8.703 4.946 420 HB3 ASP 56 HB3 ASP 56 -16.990 7.935 5.630 421 H LYS 57 H LYS 57 -15.374 8.605 8.986 422 HA LYS 57 HA LYS 57 -16.313 6.482 10.529 423 HB2 LYS 57 HB2 LYS 57 -16.273 8.013 12.278 424 HB3 LYS 57 HB3 LYS 57 -14.982 8.485 11.207 425 HG2 LYS 57 HG2 LYS 57 -17.619 9.805 11.606 426 HG3 LYS 57 HG3 LYS 57 -16.033 10.443 11.972 427 HD2 LYS 57 HD2 LYS 57 -15.557 10.333 9.478 428 HD3 LYS 57 HD3 LYS 57 -17.284 10.014 9.251 429 HE2 LYS 57 HE2 LYS 57 -16.790 12.382 8.958 430 HE3 LYS 57 HE3 LYS 57 -17.812 12.128 10.369 431 HZ1 LYS 57 HZ1 LYS 57 -14.872 12.532 10.458 432 HZ2 LYS 57 HZ2 LYS 57 -15.899 12.387 11.789 433 HZ3 LYS 57 HZ3 LYS 57 -16.024 13.730 10.771 434 H VAL 58 H VAL 58 -17.963 8.363 8.357 435 HA VAL 58 HA VAL 58 -20.523 7.900 9.718 436 HB VAL 58 HB VAL 58 -19.524 10.428 8.433 437 HG11 VAL 58 HG11 VAL 58 -21.766 11.358 8.756 438 HG12 VAL 58 HG12 VAL 58 -22.359 9.757 9.195 439 HG13 VAL 58 HG13 VAL 58 -21.749 10.057 7.565 440 HG21 VAL 58 HG21 VAL 58 -19.143 9.770 10.856 441 HG22 VAL 58 HG22 VAL 58 -20.865 10.089 11.079 442 HG23 VAL 58 HG23 VAL 58 -19.792 11.376 10.527 443 H ALA 59 H ALA 59 -19.115 8.974 6.652 444 HA ALA 59 HA ALA 59 -21.419 8.214 5.179 445 HB1 ALA 59 HB1 ALA 59 -20.135 8.840 3.199 446 HB2 ALA 59 HB2 ALA 59 -18.683 8.958 4.196 447 HB3 ALA 59 HB3 ALA 59 -20.033 10.060 4.469 448 H GLY 60 H GLY 60 -19.029 6.405 6.464 449 HA2 GLY 60 HA2 GLY 60 -18.427 4.202 6.300 450 HA3 GLY 60 HA3 GLY 60 -20.026 3.981 5.616 451 H HIS 61 H HIS 61 -17.445 5.865 4.130 452 HA HIS 61 HA HIS 61 -17.212 3.754 2.081 453 HB2 HIS 61 HB2 HIS 61 -17.379 5.265 0.314 454 HB3 HIS 61 HB3 HIS 61 -18.564 5.899 1.443 455 HD1 HIS 61 HD1 HIS 61 -15.951 6.990 -0.692 456 HD2 HIS 61 HD2 HIS 61 -17.262 8.102 3.089 457 HE1 HIS 61 HE1 HIS 61 -15.046 9.304 -0.317 458 HE2 HIS 61 HE2 HIS 61 -15.969 10.013 1.915 459 H SER 62 H SER 62 -15.157 3.520 1.117 460 HA SER 62 HA SER 62 -12.985 4.061 2.826 461 HB2 SER 62 HB2 SER 62 -13.004 2.166 1.231 462 HB3 SER 62 HB3 SER 62 -12.919 3.306 -0.111 463 HG SER 62 HG SER 62 -10.976 2.896 1.919 464 H LEU 63 H LEU 63 -11.389 5.587 2.745 465 HA LEU 63 HA LEU 63 -12.156 8.035 1.371 466 HB2 LEU 63 HB2 LEU 63 -10.030 7.543 3.453 467 HB3 LEU 63 HB3 LEU 63 -10.495 9.114 2.826 468 HG LEU 63 HG LEU 63 -12.200 7.251 4.478 469 HD11 LEU 63 HD11 LEU 63 -11.091 9.989 5.056 470 HD12 LEU 63 HD12 LEU 63 -10.536 8.471 5.760 471 HD13 LEU 63 HD13 LEU 63 -12.162 9.063 6.108 472 HD21 LEU 63 HD21 LEU 63 -12.902 9.850 3.130 473 HD22 LEU 63 HD22 LEU 63 -13.849 9.129 4.427 474 HD23 LEU 63 HD23 LEU 63 -13.663 8.274 2.898 475 H GLY 64 H GLY 64 -10.469 5.479 0.458 476 HA2 GLY 64 HA2 GLY 64 -9.374 5.367 -1.602 477 HA3 GLY 64 HA3 GLY 64 -9.068 7.092 -1.511 478 H TYR 65 H TYR 65 -8.246 4.962 1.144 479 HA TYR 65 HA TYR 65 -5.680 4.266 0.185 480 HB2 TYR 65 HB2 TYR 65 -4.241 5.599 1.576 481 HB3 TYR 65 HB3 TYR 65 -5.260 6.676 0.635 482 HD1 TYR 65 HD1 TYR 65 -4.060 5.818 3.841 483 HD2 TYR 65 HD2 TYR 65 -7.308 7.680 1.832 484 HE1 TYR 65 HE1 TYR 65 -4.631 7.019 5.894 485 HE2 TYR 65 HE2 TYR 65 -7.896 8.882 3.886 486 HH TYR 65 HH TYR 65 -7.578 8.789 6.246 487 H GLY 66 H GLY 66 -4.338 3.198 1.841 488 HA2 GLY 66 HA2 GLY 66 -5.554 2.413 4.320 489 HA3 GLY 66 HA3 GLY 66 -5.623 1.151 3.102 490 H PHE 67 H PHE 67 -4.291 0.187 4.991 491 HA PHE 67 HA PHE 67 -1.440 0.650 4.444 492 HB2 PHE 67 HB2 PHE 67 -2.671 0.503 7.210 493 HB3 PHE 67 HB3 PHE 67 -0.947 0.548 6.873 494 HD1 PHE 67 HD1 PHE 67 -4.047 2.483 6.981 495 HD2 PHE 67 HD2 PHE 67 0.131 2.604 6.199 496 HE1 PHE 67 HE1 PHE 67 -4.105 4.938 7.085 497 HE2 PHE 67 HE2 PHE 67 0.082 5.062 6.300 498 HZ PHE 67 HZ PHE 67 -2.039 6.232 6.744 499 H VAL 68 H VAL 68 -0.881 -1.310 3.609 500 HA VAL 68 HA VAL 68 -1.672 -3.661 5.153 501 HB VAL 68 HB VAL 68 -2.420 -4.447 3.228 502 HG11 VAL 68 HG11 VAL 68 -0.742 -2.459 1.747 503 HG12 VAL 68 HG12 VAL 68 -2.429 -2.274 2.238 504 HG13 VAL 68 HG13 VAL 68 -1.989 -3.494 1.045 505 HG21 VAL 68 HG21 VAL 68 -0.799 -5.486 1.672 506 HG22 VAL 68 HG22 VAL 68 -0.467 -5.856 3.365 507 HG23 VAL 68 HG23 VAL 68 0.504 -4.649 2.516 508 H ASN 69 H ASN 69 -0.235 -4.292 6.475 509 HA ASN 69 HA ASN 69 2.603 -3.890 6.012 510 HB2 ASN 69 HB2 ASN 69 1.423 -3.597 8.277 511 HB3 ASN 69 HB3 ASN 69 1.306 -5.339 8.318 512 HD21 ASN 69 HD21 ASN 69 3.101 -6.561 8.725 513 HD22 ASN 69 HD22 ASN 69 4.603 -5.880 9.237 514 H TYR 70 H TYR 70 3.796 -5.389 5.048 515 HA TYR 70 HA TYR 70 2.677 -8.018 4.570 516 HB2 TYR 70 HB2 TYR 70 5.071 -6.503 3.613 517 HB3 TYR 70 HB3 TYR 70 5.084 -8.250 3.501 518 HD1 TYR 70 HD1 TYR 70 4.193 -5.266 1.858 519 HD2 TYR 70 HD2 TYR 70 3.031 -9.327 2.347 520 HE1 TYR 70 HE1 TYR 70 2.978 -5.181 -0.278 521 HE2 TYR 70 HE2 TYR 70 1.820 -9.252 0.218 522 HH TYR 70 HH TYR 70 2.280 -7.012 -2.061 523 H VAL 71 H VAL 71 3.966 -9.952 4.929 524 HA VAL 71 HA VAL 71 5.047 -10.035 7.597 525 HB VAL 71 HB VAL 71 5.302 -12.424 7.236 526 HG11 VAL 71 HG11 VAL 71 2.704 -11.360 6.125 527 HG12 VAL 71 HG12 VAL 71 3.089 -11.616 7.829 528 HG13 VAL 71 HG13 VAL 71 2.956 -12.996 6.736 529 HG21 VAL 71 HG21 VAL 71 6.114 -12.380 4.935 530 HG22 VAL 71 HG22 VAL 71 4.521 -11.878 4.372 531 HG23 VAL 71 HG23 VAL 71 4.738 -13.472 5.096 532 H THR 72 H THR 72 6.196 -9.265 4.597 533 HA THR 72 HA THR 72 9.002 -9.635 5.389 534 HB THR 72 HB THR 72 9.396 -9.781 2.843 535 HG1 THR 72 HG1 THR 72 7.350 -11.054 2.037 536 HG21 THR 72 HG21 THR 72 8.139 -12.120 4.269 537 HG22 THR 72 HG22 THR 72 9.845 -11.658 4.298 538 HG23 THR 72 HG23 THR 72 9.106 -12.207 2.790 539 H ALA 73 H ALA 73 10.407 -7.996 4.534 540 HA ALA 73 HA ALA 73 9.088 -5.598 3.527 541 HB1 ALA 73 HB1 ALA 73 11.350 -4.616 3.573 542 HB2 ALA 73 HB2 ALA 73 11.995 -6.166 4.117 543 HB3 ALA 73 HB3 ALA 73 10.866 -5.269 5.136 544 H LYS 74 H LYS 74 10.602 -8.423 2.526 545 HA LYS 74 HA LYS 74 11.572 -7.773 -0.031 546 HB2 LYS 74 HB2 LYS 74 12.249 -9.798 0.955 547 HB3 LYS 74 HB3 LYS 74 10.605 -10.284 1.303 548 HG2 LYS 74 HG2 LYS 74 11.072 -9.939 -1.530 549 HG3 LYS 74 HG3 LYS 74 12.144 -11.138 -0.794 550 HD2 LYS 74 HD2 LYS 74 10.391 -12.471 -0.095 551 HD3 LYS 74 HD3 LYS 74 9.217 -11.155 -0.170 552 HE2 LYS 74 HE2 LYS 74 8.714 -12.480 -2.026 553 HE3 LYS 74 HE3 LYS 74 9.676 -11.151 -2.678 554 HZ1 LYS 74 HZ1 LYS 74 10.721 -13.851 -2.004 555 HZ2 LYS 74 HZ2 LYS 74 11.610 -12.580 -2.677 556 HZ3 LYS 74 HZ3 LYS 74 10.366 -13.304 -3.563 557 H ASP 75 H ASP 75 8.406 -9.073 0.966 558 HA ASP 75 HA ASP 75 7.352 -8.841 -1.703 559 HB2 ASP 75 HB2 ASP 75 6.058 -9.477 0.951 560 HB3 ASP 75 HB3 ASP 75 5.142 -9.356 -0.546 561 H ALA 76 H ALA 76 7.725 -6.679 0.919 562 HA ALA 76 HA ALA 76 5.607 -4.879 0.395 563 HB1 ALA 76 HB1 ALA 76 7.090 -3.188 1.516 564 HB2 ALA 76 HB2 ALA 76 8.352 -4.422 1.581 565 HB3 ALA 76 HB3 ALA 76 6.834 -4.664 2.449 566 H GLU 77 H GLU 77 9.040 -4.575 -0.491 567 HA GLU 77 HA GLU 77 8.792 -2.603 -2.466 568 HB2 GLU 77 HB2 GLU 77 10.958 -3.180 -1.645 569 HB3 GLU 77 HB3 GLU 77 10.740 -4.882 -2.033 570 HG2 GLU 77 HG2 GLU 77 10.786 -4.303 -4.429 571 HG3 GLU 77 HG3 GLU 77 11.105 -2.625 -3.996 572 H ARG 78 H ARG 78 8.205 -6.040 -2.542 573 HA ARG 78 HA ARG 78 8.207 -6.357 -5.351 574 HB2 ARG 78 HB2 ARG 78 8.491 -8.135 -3.582 575 HB3 ARG 78 HB3 ARG 78 6.759 -8.026 -3.311 576 HG2 ARG 78 HG2 ARG 78 6.317 -8.768 -5.546 577 HG3 ARG 78 HG3 ARG 78 8.041 -8.759 -5.925 578 HD2 ARG 78 HD2 ARG 78 8.390 -10.427 -4.132 579 HD3 ARG 78 HD3 ARG 78 6.645 -10.489 -3.895 580 HE ARG 78 HE ARG 78 7.584 -11.060 -6.578 581 HH11 ARG 78 HH11 ARG 78 6.529 -12.291 -3.474 582 HH12 ARG 78 HH12 ARG 78 6.234 -13.897 -4.078 583 HH21 ARG 78 HH21 ARG 78 7.204 -13.170 -7.370 584 HH22 ARG 78 HH22 ARG 78 6.619 -14.393 -6.290 585 H ALA 79 H ALA 79 5.789 -5.511 -2.944 586 HA ALA 79 HA ALA 79 3.593 -5.638 -4.752 587 HB1 ALA 79 HB1 ALA 79 3.826 -4.178 -2.117 588 HB2 ALA 79 HB2 ALA 79 3.233 -5.817 -2.350 589 HB3 ALA 79 HB3 ALA 79 2.325 -4.452 -3.009 590 H ILE 80 H ILE 80 5.868 -3.160 -3.765 591 HA ILE 80 HA ILE 80 4.475 -1.012 -4.954 592 HB ILE 80 HB ILE 80 7.422 -1.190 -4.512 593 HG12 ILE 80 HG12 ILE 80 5.230 -0.257 -2.650 594 HG13 ILE 80 HG13 ILE 80 6.148 -1.745 -2.472 595 HG21 ILE 80 HG21 ILE 80 7.307 1.216 -4.398 596 HG22 ILE 80 HG22 ILE 80 5.554 1.169 -4.629 597 HG23 ILE 80 HG23 ILE 80 6.634 0.653 -5.932 598 HD11 ILE 80 HD11 ILE 80 7.259 1.032 -2.354 599 HD12 ILE 80 HD12 ILE 80 8.176 -0.463 -2.173 600 HD13 ILE 80 HD13 ILE 80 6.952 -0.030 -0.982 601 H ASN 81 H ASN 81 6.908 -3.228 -6.242 602 HA ASN 81 HA ASN 81 7.010 -1.673 -8.668 603 HB2 ASN 81 HB2 ASN 81 8.522 -3.487 -9.484 604 HB3 ASN 81 HB3 ASN 81 9.060 -2.666 -8.019 605 HD21 ASN 81 HD21 ASN 81 10.149 -4.051 -6.894 606 HD22 ASN 81 HD22 ASN 81 9.654 -5.654 -6.481 607 H THR 82 H THR 82 5.405 -4.489 -7.489 608 HA THR 82 HA THR 82 4.496 -5.235 -10.125 609 HB THR 82 HB THR 82 4.247 -6.454 -7.412 610 HG1 THR 82 HG1 THR 82 6.191 -6.703 -8.656 611 HG21 THR 82 HG21 THR 82 2.817 -7.290 -9.927 612 HG22 THR 82 HG22 THR 82 2.133 -7.000 -8.318 613 HG23 THR 82 HG23 THR 82 3.151 -8.412 -8.607 614 H LEU 83 H LEU 83 2.928 -4.457 -7.010 615 HA LEU 83 HA LEU 83 0.324 -4.465 -8.235 616 HB2 LEU 83 HB2 LEU 83 1.295 -4.037 -5.452 617 HB3 LEU 83 HB3 LEU 83 -0.394 -3.885 -5.870 618 HG LEU 83 HG LEU 83 1.327 -6.362 -6.026 619 HD11 LEU 83 HD11 LEU 83 -0.835 -5.377 -4.242 620 HD12 LEU 83 HD12 LEU 83 0.646 -6.255 -3.851 621 HD13 LEU 83 HD13 LEU 83 -0.729 -7.107 -4.567 622 HD21 LEU 83 HD21 LEU 83 -0.766 -7.506 -6.743 623 HD22 LEU 83 HD22 LEU 83 -0.067 -6.428 -7.953 624 HD23 LEU 83 HD23 LEU 83 -1.475 -5.914 -7.025 625 H ASN 84 H ASN 84 2.580 -2.014 -7.139 626 HA ASN 84 HA ASN 84 0.735 0.073 -6.812 627 HB2 ASN 84 HB2 ASN 84 2.981 0.225 -5.954 628 HB3 ASN 84 HB3 ASN 84 3.658 0.100 -7.570 629 HD21 ASN 84 HD21 ASN 84 4.804 1.995 -6.968 630 HD22 ASN 84 HD22 ASN 84 4.062 3.543 -7.105 631 H GLY 85 H GLY 85 -0.587 0.930 -8.189 632 HA2 GLY 85 HA2 GLY 85 -1.263 1.934 -10.210 633 HA3 GLY 85 HA3 GLY 85 0.111 1.197 -11.017 634 H LEU 86 H LEU 86 -1.926 -0.653 -8.896 635 HA LEU 86 HA LEU 86 -2.686 -2.381 -11.102 636 HB2 LEU 86 HB2 LEU 86 -2.172 -2.746 -8.367 637 HB3 LEU 86 HB3 LEU 86 -3.890 -3.027 -8.545 638 HG LEU 86 HG LEU 86 -2.617 -5.105 -8.675 639 HD11 LEU 86 HD11 LEU 86 -3.838 -4.325 -11.314 640 HD12 LEU 86 HD12 LEU 86 -4.706 -4.948 -9.913 641 HD13 LEU 86 HD13 LEU 86 -3.544 -5.971 -10.757 642 HD21 LEU 86 HD21 LEU 86 -0.582 -3.979 -9.660 643 HD22 LEU 86 HD22 LEU 86 -1.399 -4.072 -11.219 644 HD23 LEU 86 HD23 LEU 86 -1.010 -5.548 -10.338 645 H ARG 87 H ARG 87 -4.740 -2.629 -11.884 646 HA ARG 87 HA ARG 87 -6.685 -0.616 -11.184 647 HB2 ARG 87 HB2 ARG 87 -6.669 -2.870 -13.184 648 HB3 ARG 87 HB3 ARG 87 -8.088 -1.871 -12.907 649 HG2 ARG 87 HG2 ARG 87 -5.417 -0.742 -13.689 650 HG3 ARG 87 HG3 ARG 87 -6.647 -1.222 -14.859 651 HD2 ARG 87 HD2 ARG 87 -8.228 0.341 -13.741 652 HD3 ARG 87 HD3 ARG 87 -6.902 0.883 -12.713 653 HE ARG 87 HE ARG 87 -5.878 1.276 -15.146 654 HH11 ARG 87 HH11 ARG 87 -9.001 2.146 -13.807 655 HH12 ARG 87 HH12 ARG 87 -9.185 3.534 -14.830 656 HH21 ARG 87 HH21 ARG 87 -6.134 3.101 -16.495 657 HH22 ARG 87 HH22 ARG 87 -7.570 4.067 -16.368 658 H LEU 88 H LEU 88 -7.157 -1.129 -9.042 659 HA LEU 88 HA LEU 88 -8.457 -3.656 -8.448 660 HB2 LEU 88 HB2 LEU 88 -7.288 -1.457 -6.935 661 HB3 LEU 88 HB3 LEU 88 -8.821 -1.998 -6.278 662 HG LEU 88 HG LEU 88 -6.460 -3.798 -6.809 663 HD11 LEU 88 HD11 LEU 88 -7.503 -2.918 -4.141 664 HD12 LEU 88 HD12 LEU 88 -6.227 -2.041 -4.978 665 HD13 LEU 88 HD13 LEU 88 -5.981 -3.729 -4.517 666 HD21 LEU 88 HD21 LEU 88 -7.774 -5.372 -5.405 667 HD22 LEU 88 HD22 LEU 88 -8.541 -4.990 -6.946 668 HD23 LEU 88 HD23 LEU 88 -9.122 -4.230 -5.465 669 H GLN 89 H GLN 89 -10.518 -3.878 -9.034 670 HA GLN 89 HA GLN 89 -12.672 -3.395 -9.591 671 HB2 GLN 89 HB2 GLN 89 -12.318 -1.375 -7.408 672 HB3 GLN 89 HB3 GLN 89 -13.870 -1.853 -8.075 673 HG2 GLN 89 HG2 GLN 89 -13.437 -4.164 -7.308 674 HG3 GLN 89 HG3 GLN 89 -11.940 -3.600 -6.566 675 HE21 GLN 89 HE21 GLN 89 -13.089 -1.066 -5.789 676 HE22 GLN 89 HE22 GLN 89 -14.122 -1.382 -4.442 677 H SER 90 H SER 90 -10.590 -2.117 -10.993 678 HA SER 90 HA SER 90 -10.530 -0.858 -12.895 679 HB2 SER 90 HB2 SER 90 -13.055 -0.978 -12.845 680 HB3 SER 90 HB3 SER 90 -13.032 0.563 -11.998 681 HG SER 90 HG SER 90 -13.271 0.791 -14.281 682 H LYS 91 H LYS 91 -10.481 0.176 -9.771 683 HA LYS 91 HA LYS 91 -9.641 2.919 -10.342 684 HB2 LYS 91 HB2 LYS 91 -10.874 1.631 -8.156 685 HB3 LYS 91 HB3 LYS 91 -9.267 2.081 -7.613 686 HG2 LYS 91 HG2 LYS 91 -11.212 3.992 -8.846 687 HG3 LYS 91 HG3 LYS 91 -10.986 3.759 -7.117 688 HD2 LYS 91 HD2 LYS 91 -8.423 4.107 -8.038 689 HD3 LYS 91 HD3 LYS 91 -9.366 5.236 -9.015 690 HE2 LYS 91 HE2 LYS 91 -10.449 5.839 -6.718 691 HE3 LYS 91 HE3 LYS 91 -8.970 5.150 -6.063 692 HZ1 LYS 91 HZ1 LYS 91 -8.783 7.541 -6.380 693 HZ2 LYS 91 HZ2 LYS 91 -9.099 7.368 -8.030 694 HZ3 LYS 91 HZ3 LYS 91 -7.690 6.713 -7.370 695 H THR 92 H THR 92 -7.495 3.538 -10.355 696 HA THR 92 HA THR 92 -5.552 1.394 -10.076 697 HB THR 92 HB THR 92 -4.547 4.086 -10.695 698 HG1 THR 92 HG1 THR 92 -6.406 4.186 -11.955 699 HG21 THR 92 HG21 THR 92 -3.263 2.845 -12.376 700 HG22 THR 92 HG22 THR 92 -4.163 1.384 -11.975 701 HG23 THR 92 HG23 THR 92 -3.103 2.124 -10.776 702 H ILE 93 H ILE 93 -4.411 1.084 -8.342 703 HA ILE 93 HA ILE 93 -4.545 3.021 -6.166 704 HB ILE 93 HB ILE 93 -3.832 1.188 -4.757 705 HG12 ILE 93 HG12 ILE 93 -3.603 -0.344 -7.358 706 HG13 ILE 93 HG13 ILE 93 -2.271 0.126 -6.310 707 HG21 ILE 93 HG21 ILE 93 -5.785 -0.180 -4.959 708 HG22 ILE 93 HG22 ILE 93 -5.930 0.198 -6.677 709 HG23 ILE 93 HG23 ILE 93 -6.223 1.454 -5.471 710 HD11 ILE 93 HD11 ILE 93 -2.738 -2.184 -6.004 711 HD12 ILE 93 HD12 ILE 93 -4.444 -1.843 -5.711 712 HD13 ILE 93 HD13 ILE 93 -3.226 -1.313 -4.549 713 H LYS 94 H LYS 94 -2.560 3.257 -4.785 714 HA LYS 94 HA LYS 94 -0.080 2.789 -6.266 715 HB2 LYS 94 HB2 LYS 94 -0.687 5.134 -6.694 716 HB3 LYS 94 HB3 LYS 94 -0.751 5.432 -4.961 717 HG2 LYS 94 HG2 LYS 94 1.582 5.032 -4.728 718 HG3 LYS 94 HG3 LYS 94 1.703 4.472 -6.395 719 HD2 LYS 94 HD2 LYS 94 0.709 7.233 -5.829 720 HD3 LYS 94 HD3 LYS 94 2.438 6.898 -5.784 721 HE2 LYS 94 HE2 LYS 94 2.062 7.618 -7.966 722 HE3 LYS 94 HE3 LYS 94 2.110 5.864 -8.101 723 HZ1 LYS 94 HZ1 LYS 94 -0.346 7.522 -7.992 724 HZ2 LYS 94 HZ2 LYS 94 -0.304 5.839 -8.135 725 HZ3 LYS 94 HZ3 LYS 94 0.302 6.806 -9.374 726 H VAL 95 H VAL 95 1.081 1.533 -5.039 727 HA VAL 95 HA VAL 95 0.739 1.637 -2.145 728 HB VAL 95 HB VAL 95 0.947 -0.565 -2.093 729 HG11 VAL 95 HG11 VAL 95 -0.484 -0.324 -4.051 730 HG12 VAL 95 HG12 VAL 95 0.484 -1.807 -4.130 731 HG13 VAL 95 HG13 VAL 95 0.939 -0.399 -5.088 732 HG21 VAL 95 HG21 VAL 95 3.266 -0.649 -2.140 733 HG22 VAL 95 HG22 VAL 95 3.332 -0.181 -3.835 734 HG23 VAL 95 HG23 VAL 95 2.755 -1.789 -3.390 735 H SER 96 H SER 96 2.483 1.761 -0.750 736 HA SER 96 HA SER 96 5.176 2.176 -1.615 737 HB2 SER 96 HB2 SER 96 3.483 4.523 -0.718 738 HB3 SER 96 HB3 SER 96 5.240 4.539 -0.680 739 HG SER 96 HG SER 96 4.013 3.778 -3.072 740 H TYR 97 H TYR 97 6.552 2.736 0.331 741 HA TYR 97 HA TYR 97 5.785 1.281 2.655 742 HB2 TYR 97 HB2 TYR 97 7.890 3.425 2.697 743 HB3 TYR 97 HB3 TYR 97 7.849 1.899 3.568 744 HD1 TYR 97 HD1 TYR 97 7.839 -0.239 1.923 745 HD2 TYR 97 HD2 TYR 97 9.381 3.618 0.999 746 HE1 TYR 97 HE1 TYR 97 9.311 -1.240 0.228 747 HE2 TYR 97 HE2 TYR 97 10.857 2.649 -0.701 748 HH TYR 97 HH TYR 97 11.932 0.294 -1.040 749 H ALA 98 H ALA 98 4.388 1.908 4.143 750 HA ALA 98 HA ALA 98 3.621 4.678 4.363 751 HB1 ALA 98 HB1 ALA 98 1.912 3.976 5.792 752 HB2 ALA 98 HB2 ALA 98 2.807 2.548 6.312 753 HB3 ALA 98 HB3 ALA 98 2.104 2.604 4.697 754 H ARG 99 H ARG 99 4.975 6.021 5.336 755 HA ARG 99 HA ARG 99 7.232 5.426 6.735 756 HB2 ARG 99 HB2 ARG 99 7.065 7.780 7.660 757 HB3 ARG 99 HB3 ARG 99 6.989 7.618 5.912 758 HG2 ARG 99 HG2 ARG 99 4.532 7.808 6.033 759 HG3 ARG 99 HG3 ARG 99 4.664 8.061 7.773 760 HD2 ARG 99 HD2 ARG 99 4.439 10.183 6.606 761 HD3 ARG 99 HD3 ARG 99 6.015 10.057 7.383 762 HE ARG 99 HE ARG 99 6.150 9.176 4.689 763 HH11 ARG 99 HH11 ARG 99 5.912 12.094 6.613 764 HH12 ARG 99 HH12 ARG 99 6.700 13.084 5.428 765 HH21 ARG 99 HH21 ARG 99 7.175 10.461 3.140 766 HH22 ARG 99 HH22 ARG 99 7.431 12.151 3.448 767 HA PRO 100 HA PRO 100 5.401 3.813 10.492 768 HB2 PRO 100 HB2 PRO 100 8.119 3.097 11.239 769 HB3 PRO 100 HB3 PRO 100 6.760 2.045 10.860 770 HG2 PRO 100 HG2 PRO 100 8.920 2.271 9.250 771 HG3 PRO 100 HG3 PRO 100 7.293 1.922 8.637 772 HD2 PRO 100 HD2 PRO 100 8.783 4.517 8.690 773 HD3 PRO 100 HD3 PRO 100 7.784 3.818 7.397 774 H SER 101 H SER 101 4.895 5.151 12.060 775 HA SER 101 HA SER 101 6.603 6.082 13.950 776 HB2 SER 101 HB2 SER 101 7.300 7.623 12.139 777 HB3 SER 101 HB3 SER 101 5.666 8.273 12.108 778 HG SER 101 HG SER 101 5.965 9.178 14.061
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