REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1qyc_1_B DATA FIRST_RESID 2 DATA SEQUENCE GSRSRILLIG ATGYIGRHVA KASLDLGHPT FLLVRESTAS SNSEKAQLLE DATA SEQUENCE SFKASGANIV HGSIDDHASL VEAVKNVDVV ISTVGSLQIE SQVNIIKAIK DATA SEQUENCE EVGTVKRFFP SEFGNDVDNV HAVEPAKSVF EVKAKVRRAI EAEGIPYTYV DATA SEQUENCE SSNCFAGYFL RSLAQAGLTA PPRDKVVILG DGNARVVFVK EEDIGTFTIK DATA SEQUENCE AVDDPRTLNK TLYLRLPANT LSLNELVALW EKKIDKTLEK AYVPEEEVLK DATA SEQUENCE LIADTPFPAN ISIAISHSIF VKGDQTNFEI GPAGVEASQL YPDVKYTTVD DATA SEQUENCE EYLSNFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 2 G C 0.000 174.900 174.900 -0.000 0.000 0.946 2 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 3 S N -0.513 115.188 115.700 0.001 0.000 2.511 3 S HA 0.519 4.989 4.470 0.001 0.000 0.233 3 S C -0.196 174.410 174.600 0.009 0.000 1.104 3 S CA -0.542 57.663 58.200 0.008 0.000 1.129 3 S CB 0.396 63.607 63.200 0.017 0.000 1.159 3 S HN 0.681 8.991 8.310 -0.000 0.000 0.451 4 R N 1.909 122.406 120.500 -0.005 0.000 2.594 4 R HA 0.360 4.701 4.340 0.001 0.000 0.272 4 R C 0.492 176.826 176.300 0.055 0.000 1.074 4 R CA -0.007 56.081 56.100 -0.020 0.000 1.105 4 R CB 0.624 30.866 30.300 -0.097 0.000 1.008 4 R HN 0.676 8.946 8.270 -0.000 0.000 0.472 5 S N 2.325 118.096 115.700 0.119 0.000 2.531 5 S HA 0.218 4.689 4.470 0.001 0.000 0.279 5 S C -0.151 174.592 174.600 0.238 0.000 1.305 5 S CA -0.785 57.524 58.200 0.182 0.000 1.058 5 S CB 0.807 64.129 63.200 0.202 0.000 0.899 5 S HN 0.406 8.716 8.310 -0.000 0.000 0.493 6 R N 2.563 123.171 120.500 0.179 0.000 2.267 6 R HA 0.440 4.781 4.340 0.001 0.000 0.319 6 R C -0.484 175.920 176.300 0.173 0.000 1.067 6 R CA 0.067 56.303 56.100 0.226 0.000 0.936 6 R CB 0.281 30.719 30.300 0.230 0.000 1.006 6 R HN 0.671 8.941 8.270 -0.000 0.000 0.452 7 I N 4.504 125.182 120.570 0.181 0.000 2.321 7 I HA 0.205 4.376 4.170 0.001 0.000 0.291 7 I C -0.611 175.605 176.117 0.164 0.000 0.998 7 I CA -1.021 60.330 61.300 0.085 0.000 1.227 7 I CB 1.347 39.310 38.000 -0.061 0.000 1.368 7 I HN 0.340 8.550 8.210 -0.000 0.000 0.466 8 L N 8.058 129.344 121.223 0.104 0.000 2.289 8 L HA 0.534 4.875 4.340 0.001 0.000 0.285 8 L C -1.196 175.715 176.870 0.068 0.000 1.049 8 L CA -0.051 54.852 54.840 0.106 0.000 0.804 8 L CB 1.198 43.274 42.059 0.030 0.000 1.195 8 L HN 0.532 8.762 8.230 -0.000 0.000 0.428 9 L N 6.482 127.733 121.223 0.048 0.000 2.333 9 L HA 0.555 4.896 4.340 0.001 0.000 0.280 9 L C -1.044 175.853 176.870 0.044 0.000 1.004 9 L CA -0.581 54.273 54.840 0.023 0.000 0.820 9 L CB 1.612 43.637 42.059 -0.056 0.000 1.247 9 L HN 0.671 8.901 8.230 -0.000 0.000 0.416 10 I N 4.345 124.964 120.570 0.082 0.000 2.355 10 I HA 0.394 4.564 4.170 0.001 0.000 0.288 10 I C 0.809 176.982 176.117 0.095 0.000 0.999 10 I CA -0.161 61.195 61.300 0.094 0.000 1.163 10 I CB 1.511 39.588 38.000 0.128 0.000 1.316 10 I HN 0.874 9.084 8.210 -0.000 0.000 0.454 11 G N 4.228 113.071 108.800 0.073 0.000 2.141 11 G HA2 -0.207 3.753 3.960 0.001 0.000 0.195 11 G HA3 -0.207 3.753 3.960 0.001 0.000 0.195 11 G C 0.875 175.799 174.900 0.040 0.000 1.012 11 G CA 0.051 45.194 45.100 0.070 0.000 0.696 11 G HN 0.806 9.096 8.290 -0.000 0.000 0.508 12 A N -0.076 122.758 122.820 0.022 0.000 2.076 12 A HA 0.173 4.493 4.320 0.001 0.000 0.220 12 A C 2.394 180.019 177.584 0.069 0.000 1.160 12 A CA 2.723 54.752 52.037 -0.015 0.000 0.653 12 A CB -0.494 18.474 19.000 -0.052 0.000 0.801 12 A HN 1.621 9.771 8.150 -0.000 0.000 0.455 13 T N -3.351 111.260 114.554 0.095 0.000 3.069 13 T HA 0.422 4.772 4.350 0.001 0.000 0.252 13 T C 0.964 175.698 174.700 0.057 0.000 1.053 13 T CA 0.314 62.477 62.100 0.105 0.000 0.964 13 T CB -0.004 68.918 68.868 0.091 0.000 1.005 13 T HN 0.410 8.650 8.240 -0.000 0.000 0.532 14 G N 0.067 108.897 108.800 0.051 0.000 2.653 14 G HA2 0.303 4.264 3.960 0.001 0.000 0.265 14 G HA3 0.303 4.264 3.960 0.001 0.000 0.265 14 G C 0.296 175.227 174.900 0.051 0.000 1.237 14 G CA -0.586 44.553 45.100 0.064 0.000 0.946 14 G HN 0.213 8.503 8.290 -0.000 0.000 0.522 15 Y N -0.236 120.032 120.300 -0.054 0.000 2.151 15 Y HA -0.153 4.397 4.550 0.001 0.000 0.284 15 Y C 2.338 178.178 175.900 -0.100 0.000 1.166 15 Y CA 2.161 60.195 58.100 -0.110 0.000 1.163 15 Y CB 0.107 38.447 38.460 -0.199 0.000 0.974 15 Y HN 0.272 8.552 8.280 -0.000 0.000 0.511 16 I N -0.554 120.010 120.570 -0.010 0.000 3.526 16 I HA 0.204 4.374 4.170 0.001 0.000 0.294 16 I C 2.333 178.375 176.117 -0.125 0.000 1.229 16 I CA 1.105 62.367 61.300 -0.063 0.000 1.408 16 I CB -0.576 37.429 38.000 0.009 0.000 1.127 16 I HN 0.180 8.390 8.210 -0.000 0.000 0.439 17 G N 1.587 110.318 108.800 -0.116 0.000 2.450 17 G HA2 -0.285 3.675 3.960 0.001 0.000 0.220 17 G HA3 -0.285 3.675 3.960 0.001 0.000 0.220 17 G C 1.727 176.549 174.900 -0.130 0.000 1.130 17 G CA 0.968 45.991 45.100 -0.127 0.000 0.760 17 G HN 0.524 8.814 8.290 -0.000 0.000 0.557 18 R N -0.599 119.847 120.500 -0.089 0.000 2.092 18 R HA 0.003 4.343 4.340 0.001 0.000 0.231 18 R C 2.067 178.285 176.300 -0.138 0.000 1.119 18 R CA 1.654 57.742 56.100 -0.020 0.000 0.970 18 R CB -0.782 29.485 30.300 -0.055 0.000 0.864 18 R HN 0.436 8.706 8.270 -0.000 0.000 0.440 19 H N 0.002 119.033 119.070 -0.066 0.000 2.502 19 H HA 0.082 4.638 4.556 0.001 0.000 0.283 19 H C 1.938 177.212 175.328 -0.090 0.000 1.015 19 H CA 1.081 57.092 56.048 -0.061 0.000 1.298 19 H CB 0.457 30.172 29.762 -0.077 0.000 1.411 19 H HN -0.037 8.243 8.280 -0.000 0.000 0.556 20 V N 0.422 120.305 119.914 -0.052 0.000 2.346 20 V HA -0.170 3.951 4.120 0.001 0.000 0.244 20 V C 2.517 178.499 176.094 -0.186 0.000 1.037 20 V CA 1.496 63.727 62.300 -0.115 0.000 1.029 20 V CB -0.724 30.995 31.823 -0.174 0.000 0.663 20 V HN 0.548 8.738 8.190 -0.000 0.000 0.454 21 A N 0.212 122.849 122.820 -0.305 0.000 1.902 21 A HA -0.270 4.050 4.320 0.001 0.000 0.217 21 A C 2.203 179.518 177.584 -0.449 0.000 1.181 21 A CA 2.339 54.066 52.037 -0.516 0.000 0.623 21 A CB -0.510 17.868 19.000 -1.036 0.000 0.818 21 A HN 0.470 8.620 8.150 -0.000 0.000 0.443 22 K N 0.233 120.460 120.400 -0.289 0.000 2.020 22 K HA -0.102 4.219 4.320 0.001 0.000 0.212 22 K C 1.988 178.563 176.600 -0.040 0.000 1.050 22 K CA 1.968 58.230 56.287 -0.042 0.000 0.929 22 K CB -0.613 31.939 32.500 0.086 0.000 0.714 22 K HN 0.340 8.590 8.250 -0.000 0.000 0.443 23 A N -0.355 122.438 122.820 -0.045 0.000 1.969 23 A HA -0.121 4.200 4.320 0.001 0.000 0.218 23 A C 2.281 179.836 177.584 -0.047 0.000 1.169 23 A CA 2.031 54.047 52.037 -0.036 0.000 0.635 23 A CB -0.973 18.005 19.000 -0.036 0.000 0.810 23 A HN 0.446 8.596 8.150 -0.000 0.000 0.445 24 S N -0.410 115.232 115.700 -0.098 0.000 2.368 24 S HA -0.104 4.366 4.470 0.001 0.000 0.225 24 S C 1.928 176.523 174.600 -0.008 0.000 1.030 24 S CA 1.470 59.617 58.200 -0.089 0.000 0.999 24 S CB -0.450 62.653 63.200 -0.163 0.000 0.844 24 S HN 0.511 8.821 8.310 -0.000 0.000 0.459 25 L N 0.899 122.091 121.223 -0.052 0.000 2.056 25 L HA -0.073 4.268 4.340 0.001 0.000 0.207 25 L C 2.256 179.126 176.870 0.000 0.000 1.078 25 L CA 1.376 56.199 54.840 -0.027 0.000 0.749 25 L CB -0.619 41.421 42.059 -0.032 0.000 0.901 25 L HN 0.248 8.478 8.230 -0.000 0.000 0.433 26 D N 0.109 120.511 120.400 0.004 0.000 2.219 26 D HA -0.092 4.549 4.640 0.001 0.000 0.205 26 D C 1.863 178.169 176.300 0.009 0.000 0.970 26 D CA 1.143 55.147 54.000 0.007 0.000 0.851 26 D CB 0.052 40.856 40.800 0.007 0.000 0.943 26 D HN 0.279 8.649 8.370 -0.000 0.000 0.488 27 L N -0.570 120.675 121.223 0.036 0.000 2.685 27 L HA 0.264 4.604 4.340 0.001 0.000 0.233 27 L C 1.103 177.982 176.870 0.015 0.000 1.173 27 L CA -0.090 54.779 54.840 0.049 0.000 0.961 27 L CB 0.127 42.247 42.059 0.102 0.000 1.217 27 L HN 0.033 8.263 8.230 -0.000 0.000 0.478 28 G N -0.154 108.647 108.800 0.002 0.000 2.221 28 G HA2 -0.257 3.704 3.960 0.001 0.000 0.265 28 G HA3 -0.257 3.704 3.960 0.001 0.000 0.265 28 G C 0.166 174.999 174.900 -0.112 0.000 1.041 28 G CA -0.173 44.892 45.100 -0.059 0.000 0.807 28 G HN 0.477 8.767 8.290 -0.000 0.000 0.502 29 H N 0.115 119.160 119.070 -0.041 0.000 2.525 29 H HA 0.259 4.815 4.556 0.001 0.000 0.339 29 H C -2.183 173.116 175.328 -0.049 0.000 1.109 29 H CA -1.555 54.474 56.048 -0.032 0.000 1.352 29 H CB 1.210 30.953 29.762 -0.031 0.000 1.461 29 H HN 0.043 8.323 8.280 -0.000 0.000 0.533 30 P HA -0.037 4.383 4.420 -0.000 0.000 0.257 30 P C -0.669 176.631 177.300 -0.001 0.000 1.189 30 P CA 0.585 63.682 63.100 -0.006 0.000 0.780 30 P CB 0.168 31.923 31.700 0.092 0.000 0.772 31 T N 4.650 119.094 114.554 -0.184 0.000 2.770 31 T HA 0.519 4.870 4.350 0.001 0.000 0.283 31 T C -0.434 174.081 174.700 -0.309 0.000 0.988 31 T CA -0.192 61.820 62.100 -0.146 0.000 0.957 31 T CB 0.212 68.988 68.868 -0.153 0.000 0.930 31 T HN 0.042 8.282 8.240 -0.000 0.000 0.443 32 F N 2.628 122.543 119.950 -0.058 0.000 2.482 32 F HA 0.563 5.091 4.527 0.001 0.000 0.331 32 F C -0.161 175.600 175.800 -0.066 0.000 1.115 32 F CA -1.187 56.780 58.000 -0.055 0.000 0.955 32 F CB 1.434 40.409 39.000 -0.041 0.000 1.136 32 F HN 0.233 8.533 8.300 -0.000 0.000 0.452 33 L N 5.024 126.302 121.223 0.092 0.000 2.319 33 L HA 0.382 4.722 4.340 0.001 0.000 0.281 33 L C -0.644 176.251 176.870 0.042 0.000 1.005 33 L CA -0.689 54.173 54.840 0.036 0.000 0.828 33 L CB 1.653 43.712 42.059 -0.000 0.000 1.227 33 L HN 0.497 8.727 8.230 -0.000 0.000 0.415 34 L N 5.387 126.638 121.223 0.047 0.000 2.385 34 L HA 0.362 4.703 4.340 0.001 0.000 0.281 34 L C -0.645 176.257 176.870 0.053 0.000 1.106 34 L CA 0.261 55.127 54.840 0.043 0.000 0.856 34 L CB 1.041 43.127 42.059 0.044 0.000 1.186 34 L HN 0.364 8.594 8.230 -0.000 0.000 0.453 35 V N 6.713 126.663 119.914 0.060 0.000 2.735 35 V HA 0.420 4.540 4.120 0.001 0.000 0.310 35 V C 0.864 177.044 176.094 0.144 0.000 1.061 35 V CA -0.700 61.656 62.300 0.093 0.000 0.913 35 V CB 2.117 33.998 31.823 0.096 0.000 1.005 35 V HN 0.776 8.966 8.190 -0.000 0.000 0.428 36 R N 1.865 122.435 120.500 0.117 0.000 2.048 36 R HA 0.253 4.593 4.340 0.001 0.000 0.221 36 R C 0.312 176.673 176.300 0.102 0.000 1.174 36 R CA 0.819 56.983 56.100 0.106 0.000 0.971 36 R CB 0.446 30.788 30.300 0.069 0.000 0.863 36 R HN 0.820 9.090 8.270 -0.000 0.000 0.439 37 E N -0.588 119.659 120.200 0.080 0.000 2.446 37 E HA 0.172 4.522 4.350 0.001 0.000 0.276 37 E C -1.456 175.180 176.600 0.061 0.000 0.969 37 E CA -0.566 55.868 56.400 0.058 0.000 0.800 37 E CB 2.306 32.024 29.700 0.030 0.000 1.341 37 E HN 0.230 8.590 8.360 -0.000 0.000 0.460 38 S N 0.072 115.800 115.700 0.048 0.000 2.399 38 S HA 0.161 4.631 4.470 0.001 0.000 0.215 38 S C -0.169 174.445 174.600 0.023 0.000 1.456 38 S CA -0.704 57.520 58.200 0.039 0.000 1.199 38 S CB 0.915 64.142 63.200 0.044 0.000 1.063 38 S HN 0.411 8.721 8.310 -0.000 0.000 0.476 39 T N 2.902 117.468 114.554 0.021 0.000 2.866 39 T HA 0.283 4.633 4.350 0.001 0.000 0.293 39 T C 1.721 176.426 174.700 0.009 0.000 1.005 39 T CA 0.459 62.568 62.100 0.014 0.000 1.162 39 T CB -0.033 68.844 68.868 0.015 0.000 0.968 39 T HN 0.927 9.167 8.240 -0.000 0.000 0.530 40 A N 4.772 127.596 122.820 0.006 0.000 1.881 40 A HA -0.125 4.196 4.320 0.001 0.000 0.219 40 A C 2.521 180.105 177.584 0.002 0.000 1.215 40 A CA 2.645 54.684 52.037 0.003 0.000 0.648 40 A CB -0.769 18.233 19.000 0.002 0.000 0.832 40 A HN 0.831 8.981 8.150 -0.000 0.000 0.455 41 S N -2.541 113.161 115.700 0.002 0.000 2.619 41 S HA 0.148 4.618 4.470 0.001 0.000 0.238 41 S C 1.875 176.475 174.600 0.001 0.000 1.068 41 S CA 0.366 58.566 58.200 0.001 0.000 0.926 41 S CB 0.138 63.339 63.200 0.001 0.000 0.864 41 S HN 0.533 8.843 8.310 -0.000 0.000 0.493 42 S N 2.799 118.502 115.700 0.004 0.000 2.499 42 S HA -0.005 4.465 4.470 0.001 0.000 0.206 42 S C 0.794 175.397 174.600 0.005 0.000 1.165 42 S CA 0.935 59.139 58.200 0.006 0.000 1.503 42 S CB -0.414 62.791 63.200 0.009 0.000 1.004 42 S HN 0.342 8.652 8.310 -0.000 0.000 0.385 43 N N 1.509 120.213 118.700 0.007 0.000 2.719 43 N HA 0.341 5.081 4.740 0.001 0.000 0.243 43 N C -0.104 175.406 175.510 -0.000 0.000 1.104 43 N CA 0.018 53.072 53.050 0.005 0.000 0.981 43 N CB 0.592 39.086 38.487 0.011 0.000 1.290 43 N HN 0.134 8.514 8.380 -0.000 0.000 0.513 44 S N 1.324 117.020 115.700 -0.006 0.000 2.496 44 S HA 0.023 4.494 4.470 0.001 0.000 0.224 44 S C 1.458 176.043 174.600 -0.025 0.000 0.996 44 S CA 0.293 58.485 58.200 -0.013 0.000 0.927 44 S CB 0.334 63.526 63.200 -0.013 0.000 0.774 44 S HN 0.572 8.882 8.310 -0.000 0.000 0.524 45 E N 1.424 121.609 120.200 -0.024 0.000 2.077 45 E HA -0.162 4.189 4.350 0.001 0.000 0.193 45 E C 2.063 178.633 176.600 -0.050 0.000 0.989 45 E CA 0.817 57.194 56.400 -0.038 0.000 0.800 45 E CB -0.076 29.608 29.700 -0.027 0.000 0.746 45 E HN 0.349 8.709 8.360 -0.000 0.000 0.452 46 K N 0.932 121.315 120.400 -0.027 0.000 2.032 46 K HA -0.167 4.154 4.320 0.001 0.000 0.209 46 K C 2.171 178.755 176.600 -0.026 0.000 1.048 46 K CA 1.294 57.571 56.287 -0.016 0.000 0.927 46 K CB -0.127 32.378 32.500 0.009 0.000 0.712 46 K HN 0.072 8.322 8.250 -0.000 0.000 0.441 47 A N 1.021 123.829 122.820 -0.021 0.000 1.902 47 A HA -0.152 4.168 4.320 0.001 0.000 0.217 47 A C 2.007 179.561 177.584 -0.051 0.000 1.181 47 A CA 1.253 53.278 52.037 -0.020 0.000 0.623 47 A CB -0.369 18.624 19.000 -0.012 0.000 0.818 47 A HN 0.380 8.530 8.150 -0.000 0.000 0.443 48 Q N -0.668 119.090 119.800 -0.071 0.000 2.378 48 Q HA 0.117 4.458 4.340 0.001 0.000 0.205 48 Q C 1.979 177.872 176.000 -0.179 0.000 0.954 48 Q CA 0.459 56.201 55.803 -0.101 0.000 0.901 48 Q CB -0.236 28.451 28.738 -0.086 0.000 0.981 48 Q HN 0.715 8.985 8.270 -0.000 0.000 0.483 49 L N -0.216 120.881 121.223 -0.211 0.000 2.044 49 L HA -0.136 4.205 4.340 0.001 0.000 0.205 49 L C 2.186 178.754 176.870 -0.503 0.000 1.075 49 L CA 0.758 55.355 54.840 -0.404 0.000 0.747 49 L CB -0.254 41.641 42.059 -0.274 0.000 0.903 49 L HN 0.200 8.430 8.230 -0.000 0.000 0.435 50 L N -0.534 120.585 121.223 -0.174 0.000 2.012 50 L HA -0.252 4.089 4.340 0.001 0.000 0.210 50 L C 2.591 179.438 176.870 -0.038 0.000 1.073 50 L CA 1.208 56.043 54.840 -0.008 0.000 0.748 50 L CB -0.449 41.636 42.059 0.043 0.000 0.891 50 L HN 0.274 8.504 8.230 -0.000 0.000 0.431 51 E N -0.024 120.126 120.200 -0.083 0.000 2.058 51 E HA -0.239 4.111 4.350 0.001 0.000 0.194 51 E C 2.307 178.848 176.600 -0.098 0.000 0.997 51 E CA 1.739 58.099 56.400 -0.067 0.000 0.801 51 E CB -0.322 29.339 29.700 -0.065 0.000 0.746 51 E HN 0.278 8.638 8.360 -0.000 0.000 0.450 52 S N -1.020 114.558 115.700 -0.203 0.000 2.365 52 S HA -0.191 4.279 4.470 0.001 0.000 0.225 52 S C 1.941 176.454 174.600 -0.145 0.000 1.039 52 S CA 1.653 59.711 58.200 -0.236 0.000 1.033 52 S CB -0.657 62.296 63.200 -0.412 0.000 0.887 52 S HN 0.448 8.758 8.310 -0.000 0.000 0.447 53 F N 0.964 120.884 119.950 -0.049 0.000 2.325 53 F HA 0.111 4.638 4.527 0.001 0.000 0.299 53 F C 2.570 178.337 175.800 -0.056 0.000 1.090 53 F CA 0.602 58.569 58.000 -0.055 0.000 1.392 53 F CB -0.076 38.889 39.000 -0.059 0.000 1.053 53 F HN 0.159 8.459 8.300 -0.000 0.000 0.521 54 K N 0.566 121.029 120.400 0.106 0.000 2.025 54 K HA -0.098 4.223 4.320 0.001 0.000 0.207 54 K C 2.314 178.924 176.600 0.017 0.000 1.049 54 K CA 1.121 57.433 56.287 0.041 0.000 0.933 54 K CB -0.356 32.157 32.500 0.020 0.000 0.714 54 K HN 0.175 8.425 8.250 -0.000 0.000 0.438 55 A N 0.762 123.586 122.820 0.006 0.000 1.972 55 A HA -0.101 4.219 4.320 0.001 0.000 0.219 55 A C 1.951 179.537 177.584 0.003 0.000 1.169 55 A CA 1.611 53.645 52.037 -0.005 0.000 0.635 55 A CB -0.239 18.748 19.000 -0.021 0.000 0.810 55 A HN 0.158 8.308 8.150 -0.000 0.000 0.446 56 S N -1.997 113.719 115.700 0.026 0.000 2.558 56 S HA 0.362 4.833 4.470 0.001 0.000 0.217 56 S C 1.348 175.959 174.600 0.017 0.000 0.975 56 S CA 0.837 59.057 58.200 0.034 0.000 0.912 56 S CB 0.334 63.584 63.200 0.083 0.000 0.776 56 S HN 1.403 9.713 8.310 -0.000 0.000 0.526 57 G N 0.678 109.479 108.800 0.002 0.000 2.367 57 G HA2 -0.024 3.936 3.960 0.001 0.000 0.181 57 G HA3 -0.024 3.936 3.960 0.001 0.000 0.181 57 G C 0.141 174.995 174.900 -0.077 0.000 1.000 57 G CA -0.314 44.764 45.100 -0.037 0.000 0.693 57 G HN 0.700 8.990 8.290 -0.000 0.000 0.480 58 A N 0.485 123.275 122.820 -0.050 0.000 2.407 58 A HA 0.591 4.912 4.320 0.001 0.000 0.248 58 A C 0.230 177.738 177.584 -0.127 0.000 1.082 58 A CA -0.015 51.957 52.037 -0.108 0.000 0.785 58 A CB 0.185 19.155 19.000 -0.049 0.000 1.020 58 A HN 0.336 8.486 8.150 -0.000 0.000 0.489 59 N N 2.187 120.744 118.700 -0.238 0.000 2.437 59 N HA 0.244 4.984 4.740 0.001 0.000 0.259 59 N C -0.830 174.629 175.510 -0.086 0.000 0.983 59 N CA -0.393 52.530 53.050 -0.211 0.000 0.937 59 N CB 1.223 39.450 38.487 -0.433 0.000 1.122 59 N HN 0.422 8.803 8.380 -0.000 0.000 0.499 60 I N 3.005 123.532 120.570 -0.071 0.000 2.379 60 I HA 0.124 4.294 4.170 0.001 0.000 0.290 60 I C 0.487 176.480 176.117 -0.207 0.000 1.063 60 I CA -0.316 60.920 61.300 -0.107 0.000 1.351 60 I CB 0.226 38.154 38.000 -0.120 0.000 1.410 60 I HN 0.053 8.263 8.210 -0.000 0.000 0.505 61 V N 7.174 127.018 119.914 -0.116 0.000 2.481 61 V HA 0.260 4.380 4.120 0.001 0.000 0.286 61 V C 0.073 176.059 176.094 -0.181 0.000 1.042 61 V CA -0.725 61.506 62.300 -0.114 0.000 0.928 61 V CB 1.135 32.972 31.823 0.023 0.000 0.986 61 V HN 0.624 8.814 8.190 -0.000 0.000 0.462 62 H N 2.301 121.401 119.070 0.049 0.000 2.502 62 H HA 0.712 5.269 4.556 0.001 0.000 0.327 62 H C 0.635 175.977 175.328 0.023 0.000 1.099 62 H CA 0.780 56.849 56.048 0.035 0.000 1.323 62 H CB 1.476 31.256 29.762 0.030 0.000 1.450 62 H HN 1.085 9.365 8.280 -0.000 0.000 0.502 63 G N 0.830 109.721 108.800 0.153 0.000 2.357 63 G HA2 0.303 4.263 3.960 0.001 0.000 0.289 63 G HA3 0.303 4.263 3.960 0.001 0.000 0.289 63 G C -1.204 173.737 174.900 0.068 0.000 1.302 63 G CA -0.382 44.769 45.100 0.085 0.000 0.936 63 G HN 0.886 9.176 8.290 -0.000 0.000 0.513 64 S N -1.831 113.900 115.700 0.052 0.000 2.705 64 S HA 0.628 5.099 4.470 0.001 0.000 0.280 64 S C 1.090 175.720 174.600 0.049 0.000 1.174 64 S CA -0.123 58.108 58.200 0.053 0.000 0.823 64 S CB 1.028 64.261 63.200 0.054 0.000 1.162 64 S HN 1.202 9.512 8.310 -0.000 0.000 0.487 65 I N 0.838 121.442 120.570 0.056 0.000 2.657 65 I HA -0.100 4.071 4.170 0.001 0.000 0.261 65 I C 1.053 177.208 176.117 0.064 0.000 1.212 65 I CA 1.201 62.538 61.300 0.062 0.000 1.453 65 I CB -0.473 37.569 38.000 0.070 0.000 1.092 65 I HN 0.580 8.790 8.210 -0.000 0.000 0.452 66 D N -0.020 120.415 120.400 0.059 0.000 2.423 66 D HA 0.034 4.675 4.640 0.001 0.000 0.208 66 D C -0.008 176.332 176.300 0.067 0.000 1.068 66 D CA 0.336 54.371 54.000 0.059 0.000 0.860 66 D CB 0.179 41.007 40.800 0.046 0.000 0.992 66 D HN 0.324 8.694 8.370 -0.000 0.000 0.504 67 D N 0.570 121.005 120.400 0.059 0.000 2.365 67 D HA 0.039 4.679 4.640 0.001 0.000 0.237 67 D C 0.991 177.332 176.300 0.069 0.000 1.190 67 D CA -0.146 53.889 54.000 0.059 0.000 0.867 67 D CB 1.111 41.933 40.800 0.038 0.000 1.050 67 D HN 0.053 8.423 8.370 -0.000 0.000 0.491 68 H N 2.755 121.828 119.070 0.005 0.000 2.421 68 H HA -0.076 4.480 4.556 0.001 0.000 0.298 68 H C 1.797 177.122 175.328 -0.005 0.000 1.087 68 H CA 1.895 57.941 56.048 -0.002 0.000 1.330 68 H CB 0.334 30.094 29.762 -0.004 0.000 1.388 68 H HN 0.424 8.704 8.280 -0.000 0.000 0.526 69 A N -0.257 122.508 122.820 -0.092 0.000 1.929 69 A HA -0.118 4.203 4.320 0.001 0.000 0.216 69 A C 2.609 180.128 177.584 -0.109 0.000 1.176 69 A CA 1.524 53.487 52.037 -0.123 0.000 0.628 69 A CB -0.869 18.115 19.000 -0.026 0.000 0.816 69 A HN 0.623 8.773 8.150 -0.000 0.000 0.444 70 S N -0.592 115.073 115.700 -0.058 0.000 2.399 70 S HA -0.110 4.361 4.470 0.001 0.000 0.231 70 S C 1.795 176.358 174.600 -0.062 0.000 1.022 70 S CA 1.454 59.634 58.200 -0.033 0.000 0.983 70 S CB -0.426 62.779 63.200 0.008 0.000 0.803 70 S HN 0.262 8.572 8.310 -0.000 0.000 0.480 71 L N 1.451 122.615 121.223 -0.098 0.000 2.044 71 L HA 0.159 4.499 4.340 0.001 0.000 0.205 71 L C 2.659 179.431 176.870 -0.164 0.000 1.075 71 L CA 1.217 55.989 54.840 -0.113 0.000 0.747 71 L CB -0.800 41.199 42.059 -0.100 0.000 0.903 71 L HN 0.229 8.459 8.230 -0.000 0.000 0.435 72 V N -0.526 119.235 119.914 -0.255 0.000 2.295 72 V HA -0.266 3.855 4.120 0.001 0.000 0.246 72 V C 2.567 178.574 176.094 -0.145 0.000 1.049 72 V CA 1.787 63.953 62.300 -0.224 0.000 1.024 72 V CB -0.521 31.134 31.823 -0.280 0.000 0.648 72 V HN 0.458 8.648 8.190 -0.000 0.000 0.447 73 E N 0.558 120.683 120.200 -0.124 0.000 2.153 73 E HA -0.167 4.184 4.350 0.001 0.000 0.194 73 E C 2.034 178.568 176.600 -0.109 0.000 0.988 73 E CA 1.567 57.910 56.400 -0.094 0.000 0.811 73 E CB -0.374 29.287 29.700 -0.066 0.000 0.746 73 E HN 0.548 8.908 8.360 -0.000 0.000 0.466 74 A N -0.080 122.673 122.820 -0.112 0.000 1.930 74 A HA -0.041 4.279 4.320 0.001 0.000 0.215 74 A C 2.301 179.788 177.584 -0.161 0.000 1.176 74 A CA 1.374 53.331 52.037 -0.133 0.000 0.632 74 A CB -0.536 18.413 19.000 -0.085 0.000 0.819 74 A HN 0.301 8.451 8.150 -0.000 0.000 0.445 75 V N -0.947 118.889 119.914 -0.131 0.000 3.129 75 V HA -0.068 4.052 4.120 0.001 0.000 0.259 75 V C 1.973 177.997 176.094 -0.116 0.000 1.116 75 V CA 1.731 63.959 62.300 -0.119 0.000 1.127 75 V CB -0.854 30.902 31.823 -0.111 0.000 0.742 75 V HN 0.713 8.903 8.190 -0.000 0.000 0.474 76 K N 0.742 121.070 120.400 -0.119 0.000 2.167 76 K HA -0.010 4.310 4.320 0.001 0.000 0.203 76 K C 1.448 177.977 176.600 -0.119 0.000 1.052 76 K CA 1.481 57.708 56.287 -0.099 0.000 0.956 76 K CB -0.463 31.987 32.500 -0.083 0.000 0.735 76 K HN 0.399 8.649 8.250 -0.000 0.000 0.451 77 N N 1.674 120.265 118.700 -0.183 0.000 2.434 77 N HA 0.017 4.757 4.740 0.001 0.000 0.196 77 N C -0.139 175.174 175.510 -0.328 0.000 1.183 77 N CA 0.590 53.488 53.050 -0.254 0.000 0.849 77 N CB 0.525 38.806 38.487 -0.342 0.000 0.992 77 N HN 0.282 8.662 8.380 -0.000 0.000 0.460 78 V N -3.895 115.890 119.914 -0.216 0.000 3.160 78 V HA 0.483 4.604 4.120 0.001 0.000 0.310 78 V C 0.059 176.131 176.094 -0.037 0.000 1.181 78 V CA -0.821 61.397 62.300 -0.137 0.000 1.047 78 V CB 2.341 34.082 31.823 -0.137 0.000 1.068 78 V HN -0.252 7.938 8.190 -0.000 0.000 0.441 79 D N 0.217 120.628 120.400 0.018 0.000 2.394 79 D HA 0.226 4.867 4.640 0.001 0.000 0.226 79 D C 0.307 176.653 176.300 0.077 0.000 0.990 79 D CA 1.020 55.050 54.000 0.049 0.000 0.902 79 D CB 1.296 42.138 40.800 0.070 0.000 1.038 79 D HN 0.401 8.771 8.370 -0.000 0.000 0.499 80 V N 1.811 121.775 119.914 0.083 0.000 2.540 80 V HA 0.360 4.481 4.120 0.001 0.000 0.302 80 V C -0.197 175.968 176.094 0.120 0.000 1.035 80 V CA -0.799 61.572 62.300 0.118 0.000 0.873 80 V CB 2.690 34.549 31.823 0.060 0.000 0.992 80 V HN -0.222 7.968 8.190 -0.000 0.000 0.428 81 V N 6.036 126.086 119.914 0.226 0.000 2.448 81 V HA 0.552 4.673 4.120 0.001 0.000 0.295 81 V C -0.325 176.009 176.094 0.400 0.000 1.025 81 V CA -0.390 62.066 62.300 0.259 0.000 0.859 81 V CB 1.749 33.712 31.823 0.233 0.000 0.988 81 V HN 0.686 8.876 8.190 -0.000 0.000 0.431 82 I N 3.361 124.074 120.570 0.238 0.000 2.406 82 I HA 0.447 4.618 4.170 0.001 0.000 0.290 82 I C 0.008 176.288 176.117 0.272 0.000 0.999 82 I CA -0.231 61.201 61.300 0.220 0.000 1.124 82 I CB 2.006 40.000 38.000 -0.010 0.000 1.289 82 I HN 0.576 8.786 8.210 -0.000 0.000 0.441 83 S N 3.356 119.267 115.700 0.352 0.000 2.437 83 S HA 0.503 4.974 4.470 0.001 0.000 0.305 83 S C 0.328 175.130 174.600 0.337 0.000 1.109 83 S CA -0.385 58.012 58.200 0.327 0.000 1.099 83 S CB 0.690 64.129 63.200 0.398 0.000 1.004 83 S HN 0.761 9.071 8.310 -0.000 0.000 0.475 84 T N 1.146 115.840 114.554 0.233 0.000 3.442 84 T HA 0.284 4.635 4.350 0.001 0.000 0.295 84 T C 0.301 175.101 174.700 0.167 0.000 1.007 84 T CA -0.214 62.007 62.100 0.202 0.000 0.962 84 T CB -0.815 68.029 68.868 -0.040 0.000 1.187 84 T HN 0.645 8.885 8.240 -0.000 0.000 0.490 85 V N -0.039 119.983 119.914 0.181 0.000 2.999 85 V HA 0.716 4.836 4.120 0.001 0.000 0.307 85 V C 1.054 177.239 176.094 0.152 0.000 1.084 85 V CA -0.294 62.094 62.300 0.146 0.000 1.155 85 V CB -0.144 31.762 31.823 0.140 0.000 0.975 85 V HN 0.510 8.700 8.190 -0.000 0.000 0.490 86 G N 2.348 111.222 108.800 0.123 0.000 2.634 86 G HA2 0.297 4.258 3.960 0.001 0.000 0.255 86 G HA3 0.297 4.258 3.960 0.001 0.000 0.255 86 G C 0.851 175.818 174.900 0.111 0.000 1.205 86 G CA 0.129 45.300 45.100 0.118 0.000 0.884 86 G HN 1.011 9.301 8.290 -0.000 0.000 0.549 87 S N -0.396 115.367 115.700 0.104 0.000 2.440 87 S HA -0.118 4.353 4.470 0.001 0.000 0.240 87 S C 2.316 176.964 174.600 0.079 0.000 1.014 87 S CA 0.520 58.776 58.200 0.093 0.000 0.980 87 S CB -0.184 63.065 63.200 0.082 0.000 0.775 87 S HN 0.365 8.675 8.310 -0.000 0.000 0.499 88 L N 0.513 121.781 121.223 0.076 0.000 2.376 88 L HA 0.068 4.408 4.340 0.001 0.000 0.219 88 L C 1.586 178.493 176.870 0.062 0.000 1.133 88 L CA 1.463 56.343 54.840 0.067 0.000 0.816 88 L CB -1.045 41.053 42.059 0.066 0.000 0.933 88 L HN 0.371 8.601 8.230 -0.000 0.000 0.449 89 Q N -1.584 118.259 119.800 0.072 0.000 2.194 89 Q HA 0.220 4.561 4.340 0.001 0.000 0.214 89 Q C 2.038 178.088 176.000 0.082 0.000 0.838 89 Q CA -0.154 55.693 55.803 0.073 0.000 0.972 89 Q CB 0.863 29.649 28.738 0.080 0.000 1.131 89 Q HN 0.328 8.598 8.270 -0.000 0.000 0.498 90 I N 0.813 121.433 120.570 0.083 0.000 2.226 90 I HA -0.300 3.871 4.170 0.001 0.000 0.245 90 I C 1.327 177.487 176.117 0.072 0.000 1.100 90 I CA 1.292 62.644 61.300 0.086 0.000 1.374 90 I CB 0.106 38.153 38.000 0.077 0.000 1.057 90 I HN 0.260 8.470 8.210 -0.000 0.000 0.413 91 E N 0.686 120.919 120.200 0.054 0.000 2.118 91 E HA -0.197 4.154 4.350 0.001 0.000 0.195 91 E C 2.109 178.738 176.600 0.048 0.000 0.992 91 E CA 1.582 58.006 56.400 0.041 0.000 0.804 91 E CB -0.424 29.293 29.700 0.028 0.000 0.741 91 E HN 0.503 8.863 8.360 -0.000 0.000 0.458 92 S N 0.268 116.002 115.700 0.057 0.000 2.607 92 S HA -0.078 4.392 4.470 0.001 0.000 0.224 92 S C 1.526 176.173 174.600 0.078 0.000 0.969 92 S CA 0.155 58.390 58.200 0.058 0.000 0.927 92 S CB -0.158 63.075 63.200 0.055 0.000 0.772 92 S HN 0.207 8.517 8.310 -0.000 0.000 0.533 93 Q N 0.445 120.308 119.800 0.106 0.000 2.508 93 Q HA 0.044 4.385 4.340 0.001 0.000 0.214 93 Q C 1.816 177.892 176.000 0.127 0.000 0.979 93 Q CA 0.743 56.638 55.803 0.153 0.000 0.911 93 Q CB -0.417 28.462 28.738 0.235 0.000 0.969 93 Q HN 0.510 8.780 8.270 -0.000 0.000 0.504 94 V N 0.920 120.886 119.914 0.087 0.000 2.759 94 V HA -0.244 3.876 4.120 0.001 0.000 0.256 94 V C 1.132 177.251 176.094 0.041 0.000 1.080 94 V CA 1.634 63.970 62.300 0.060 0.000 1.101 94 V CB -0.235 31.613 31.823 0.043 0.000 0.698 94 V HN 0.423 8.613 8.190 -0.000 0.000 0.477 95 N N 0.057 118.787 118.700 0.050 0.000 2.216 95 N HA -0.027 4.713 4.740 0.001 0.000 0.183 95 N C 1.614 177.157 175.510 0.055 0.000 1.017 95 N CA 1.563 54.651 53.050 0.064 0.000 0.861 95 N CB -0.203 38.331 38.487 0.077 0.000 0.986 95 N HN 0.457 8.837 8.380 -0.000 0.000 0.428 96 I N 0.284 120.860 120.570 0.009 0.000 2.315 96 I HA -0.181 3.990 4.170 0.001 0.000 0.248 96 I C 1.686 177.676 176.117 -0.212 0.000 1.117 96 I CA 0.828 62.066 61.300 -0.103 0.000 1.404 96 I CB -0.192 37.738 38.000 -0.116 0.000 1.071 96 I HN 0.125 8.335 8.210 -0.000 0.000 0.419 97 I N 0.717 121.202 120.570 -0.141 0.000 2.179 97 I HA -0.271 3.899 4.170 0.001 0.000 0.242 97 I C 2.491 178.580 176.117 -0.047 0.000 1.088 97 I CA 1.217 62.450 61.300 -0.111 0.000 1.357 97 I CB -0.361 37.651 38.000 0.020 0.000 1.051 97 I HN 0.151 8.361 8.210 -0.000 0.000 0.409 98 K N 1.034 121.439 120.400 0.008 0.000 2.057 98 K HA -0.097 4.224 4.320 0.001 0.000 0.207 98 K C 2.196 178.856 176.600 0.099 0.000 1.049 98 K CA 1.605 57.923 56.287 0.052 0.000 0.931 98 K CB -0.717 31.815 32.500 0.053 0.000 0.714 98 K HN 0.330 8.580 8.250 -0.000 0.000 0.440 99 A N 1.609 124.485 122.820 0.093 0.000 1.877 99 A HA -0.107 4.214 4.320 0.001 0.000 0.216 99 A C 2.338 179.884 177.584 -0.063 0.000 1.186 99 A CA 1.220 53.252 52.037 -0.009 0.000 0.620 99 A CB -0.601 18.335 19.000 -0.107 0.000 0.822 99 A HN 0.192 8.342 8.150 -0.000 0.000 0.443 100 I N -0.191 120.314 120.570 -0.108 0.000 2.226 100 I HA -0.261 3.909 4.170 0.001 0.000 0.245 100 I C 2.610 178.696 176.117 -0.051 0.000 1.100 100 I CA 1.782 63.014 61.300 -0.113 0.000 1.374 100 I CB -0.243 37.631 38.000 -0.212 0.000 1.057 100 I HN 0.396 8.606 8.210 -0.000 0.000 0.413 101 K N 1.559 121.940 120.400 -0.031 0.000 2.097 101 K HA -0.200 4.120 4.320 0.001 0.000 0.205 101 K C 1.706 178.310 176.600 0.006 0.000 1.050 101 K CA 1.642 57.929 56.287 -0.001 0.000 0.938 101 K CB -0.038 32.468 32.500 0.010 0.000 0.718 101 K HN 0.412 8.662 8.250 -0.000 0.000 0.442 102 E N 0.261 120.468 120.200 0.011 0.000 2.107 102 E HA -0.096 4.255 4.350 0.001 0.000 0.191 102 E C 2.012 178.611 176.600 -0.003 0.000 0.982 102 E CA 0.843 57.252 56.400 0.015 0.000 0.809 102 E CB 0.115 29.838 29.700 0.039 0.000 0.756 102 E HN 0.047 8.407 8.360 -0.000 0.000 0.459 103 V N -0.044 119.858 119.914 -0.020 0.000 2.626 103 V HA -0.140 3.980 4.120 0.001 0.000 0.252 103 V C 1.849 177.932 176.094 -0.018 0.000 1.067 103 V CA 1.689 63.972 62.300 -0.029 0.000 1.081 103 V CB -0.496 31.297 31.823 -0.051 0.000 0.686 103 V HN 0.625 8.815 8.190 -0.000 0.000 0.468 104 G N -0.366 108.428 108.800 -0.010 0.000 2.674 104 G HA2 -0.446 3.514 3.960 0.001 0.000 0.236 104 G HA3 -0.446 3.514 3.960 0.001 0.000 0.236 104 G C 1.169 176.069 174.900 0.001 0.000 1.178 104 G CA 1.158 46.258 45.100 -0.001 0.000 0.721 104 G HN 0.401 8.691 8.290 -0.000 0.000 0.515 105 T N 1.058 115.608 114.554 -0.006 0.000 2.721 105 T HA -0.015 4.336 4.350 0.001 0.000 0.268 105 T C 1.429 176.134 174.700 0.008 0.000 1.038 105 T CA 1.301 63.398 62.100 -0.004 0.000 1.145 105 T CB -0.249 68.608 68.868 -0.019 0.000 0.858 105 T HN 0.640 8.880 8.240 -0.000 0.000 0.459 106 V N 2.759 122.679 119.914 0.010 0.000 2.450 106 V HA 0.039 4.160 4.120 0.001 0.000 0.281 106 V C 1.216 177.346 176.094 0.059 0.000 1.019 106 V CA 0.174 62.495 62.300 0.035 0.000 1.062 106 V CB 0.842 32.684 31.823 0.032 0.000 0.979 106 V HN 0.408 8.598 8.190 -0.000 0.000 0.477 107 K N 3.460 123.903 120.400 0.071 0.000 2.296 107 K HA 0.111 4.431 4.320 0.001 0.000 0.200 107 K C 0.799 177.462 176.600 0.104 0.000 1.048 107 K CA 0.502 56.833 56.287 0.074 0.000 0.966 107 K CB 0.216 32.759 32.500 0.071 0.000 0.754 107 K HN 0.433 8.683 8.250 -0.000 0.000 0.466 108 R N -0.107 120.495 120.500 0.169 0.000 2.536 108 R HA 0.273 4.613 4.340 0.001 0.000 0.269 108 R C -2.221 174.323 176.300 0.407 0.000 1.113 108 R CA -0.455 55.791 56.100 0.243 0.000 0.948 108 R CB 0.990 31.476 30.300 0.310 0.000 1.237 108 R HN 0.015 8.285 8.270 -0.000 0.000 0.441 109 F N 4.959 125.035 119.950 0.210 0.000 2.493 109 F HA 0.582 5.110 4.527 0.001 0.000 0.329 109 F C -1.351 174.630 175.800 0.303 0.000 1.126 109 F CA -0.955 57.206 58.000 0.268 0.000 0.937 109 F CB 0.947 40.057 39.000 0.184 0.000 1.146 109 F HN 0.444 8.744 8.300 -0.000 0.000 0.442 110 F N 7.578 127.441 119.950 -0.145 0.000 2.308 110 F HA 0.379 4.906 4.527 0.001 0.000 0.370 110 F C -2.055 173.385 175.800 -0.600 0.000 1.100 110 F CA -3.166 54.667 58.000 -0.278 0.000 1.108 110 F CB 0.352 39.339 39.000 -0.023 0.000 1.293 110 F HN 0.262 8.562 8.300 -0.000 0.000 0.478 111 P HA -0.038 4.383 4.420 -0.000 0.000 0.271 111 P C -0.056 177.165 177.300 -0.131 0.000 1.233 111 P CA -0.190 62.601 63.100 -0.515 0.000 0.789 111 P CB 1.003 32.420 31.700 -0.471 0.000 0.951 112 S N 0.965 116.691 115.700 0.045 0.000 2.494 112 S HA 0.079 4.549 4.470 0.001 0.000 0.312 112 S C 0.556 175.190 174.600 0.057 0.000 1.121 112 S CA -0.329 57.998 58.200 0.212 0.000 1.068 112 S CB -0.790 62.575 63.200 0.275 0.000 1.141 112 S HN 0.272 8.582 8.310 -0.000 0.000 0.527 113 E N 3.338 123.431 120.200 -0.179 0.000 3.515 113 E HA 0.287 4.637 4.350 0.001 0.000 0.347 113 E C -0.073 176.472 176.600 -0.092 0.000 0.651 113 E CA -0.239 55.989 56.400 -0.285 0.000 1.581 113 E CB -0.333 29.057 29.700 -0.516 0.000 2.413 113 E HN 0.729 9.089 8.360 -0.000 0.000 0.520 114 F N 0.002 119.959 119.950 0.012 0.000 3.039 114 F HA -0.198 4.329 4.527 0.001 0.000 0.287 114 F C 0.645 176.338 175.800 -0.179 0.000 0.956 114 F CA 0.467 58.466 58.000 -0.002 0.000 0.971 114 F CB -1.623 37.483 39.000 0.177 0.000 0.943 114 F HN 0.404 8.704 8.300 -0.000 0.000 0.766 115 G N -0.512 108.220 108.800 -0.112 0.000 2.894 115 G HA2 0.353 4.314 3.960 0.001 0.000 0.164 115 G HA3 0.353 4.314 3.960 0.001 0.000 0.164 115 G C -0.802 173.974 174.900 -0.207 0.000 1.180 115 G CA -0.696 44.296 45.100 -0.180 0.000 0.997 115 G HN 0.155 8.445 8.290 -0.000 0.000 0.572 116 N N 1.037 119.584 118.700 -0.255 0.000 2.453 116 N HA 0.212 4.953 4.740 0.001 0.000 0.253 116 N C -1.163 174.153 175.510 -0.322 0.000 1.252 116 N CA -0.170 52.684 53.050 -0.327 0.000 0.917 116 N CB 1.042 39.190 38.487 -0.566 0.000 1.117 116 N HN 0.368 8.748 8.380 -0.000 0.000 0.442 117 D N 1.555 121.827 120.400 -0.213 0.000 2.344 117 D HA 0.005 4.645 4.640 0.001 0.000 0.253 117 D C 1.179 177.262 176.300 -0.363 0.000 1.255 117 D CA -0.439 53.439 54.000 -0.203 0.000 0.894 117 D CB 0.792 41.619 40.800 0.045 0.000 1.067 117 D HN 0.334 8.704 8.370 -0.000 0.000 0.492 118 V N 1.167 120.854 119.914 -0.379 0.000 3.078 118 V HA -0.051 4.070 4.120 0.001 0.000 0.265 118 V C 0.862 176.773 176.094 -0.306 0.000 1.122 118 V CA 1.118 63.187 62.300 -0.385 0.000 1.141 118 V CB -0.174 31.498 31.823 -0.251 0.000 0.735 118 V HN 0.281 8.471 8.190 -0.000 0.000 0.498 119 D N 0.985 121.206 120.400 -0.298 0.000 2.339 119 D HA 0.144 4.784 4.640 0.001 0.000 0.217 119 D C 0.184 176.268 176.300 -0.359 0.000 1.050 119 D CA 0.441 54.283 54.000 -0.264 0.000 0.856 119 D CB -0.115 40.570 40.800 -0.191 0.000 0.922 119 D HN 0.672 9.042 8.370 -0.000 0.000 0.518 120 N N -0.140 118.254 118.700 -0.509 0.000 2.687 120 N HA 0.218 4.958 4.740 0.001 0.000 0.275 120 N C -1.563 173.526 175.510 -0.701 0.000 1.789 120 N CA -0.076 52.509 53.050 -0.775 0.000 0.806 120 N CB 2.004 39.568 38.487 -1.538 0.000 1.256 120 N HN -0.215 8.165 8.380 -0.000 0.000 0.500 121 V N 0.542 120.094 119.914 -0.603 0.000 2.841 121 V HA 0.332 4.453 4.120 0.001 0.000 0.310 121 V C -0.954 174.845 176.094 -0.492 0.000 1.090 121 V CA -0.573 61.445 62.300 -0.469 0.000 0.930 121 V CB 1.864 33.431 31.823 -0.427 0.000 1.014 121 V HN 0.493 8.683 8.190 -0.000 0.000 0.425 122 H N 3.535 122.584 119.070 -0.036 0.000 2.412 122 H HA 0.693 5.249 4.556 0.001 0.000 0.239 122 H C 0.363 175.761 175.328 0.118 0.000 1.388 122 H CA 0.264 56.324 56.048 0.021 0.000 1.148 122 H CB 0.820 30.581 29.762 -0.002 0.000 1.637 122 H HN 0.744 9.024 8.280 -0.000 0.000 0.542 123 A N 1.068 124.012 122.820 0.206 0.000 2.286 123 A HA 0.616 4.937 4.320 0.001 0.000 0.286 123 A C 0.267 177.955 177.584 0.172 0.000 1.097 123 A CA -0.538 51.665 52.037 0.277 0.000 0.821 123 A CB 0.534 19.763 19.000 0.382 0.000 1.076 123 A HN 0.346 8.496 8.150 -0.000 0.000 0.490 124 V N -1.093 118.893 119.914 0.121 0.000 2.881 124 V HA 0.599 4.719 4.120 0.001 0.000 0.316 124 V C -0.118 175.963 176.094 -0.022 0.000 1.070 124 V CA -1.086 61.215 62.300 0.002 0.000 0.976 124 V CB 1.430 33.173 31.823 -0.134 0.000 1.038 124 V HN 0.826 9.016 8.190 -0.000 0.000 0.446 125 E N 3.382 123.562 120.200 -0.033 0.000 2.415 125 E HA 0.189 4.540 4.350 0.001 0.000 0.262 125 E C -1.745 174.830 176.600 -0.043 0.000 1.038 125 E CA -1.411 54.966 56.400 -0.039 0.000 0.921 125 E CB 1.042 30.726 29.700 -0.027 0.000 0.950 125 E HN 0.693 9.053 8.360 -0.000 0.000 0.438 126 P HA -0.000 4.420 4.420 -0.000 0.000 0.240 126 P C 0.894 178.117 177.300 -0.129 0.000 1.190 126 P CA 0.562 63.631 63.100 -0.051 0.000 0.781 126 P CB 0.356 32.054 31.700 -0.004 0.000 0.931 127 A N 1.609 124.312 122.820 -0.195 0.000 1.917 127 A HA -0.223 4.098 4.320 0.001 0.000 0.219 127 A C 2.413 179.697 177.584 -0.500 0.000 1.182 127 A CA 2.003 53.753 52.037 -0.479 0.000 0.633 127 A CB -1.289 17.453 19.000 -0.430 0.000 0.819 127 A HN 0.151 8.301 8.150 -0.000 0.000 0.448 128 K N -0.359 119.947 120.400 -0.157 0.000 2.044 128 K HA -0.176 4.144 4.320 0.001 0.000 0.210 128 K C 2.256 178.842 176.600 -0.024 0.000 1.049 128 K CA 1.871 58.152 56.287 -0.010 0.000 0.927 128 K CB -0.220 32.290 32.500 0.016 0.000 0.713 128 K HN 0.451 8.701 8.250 -0.000 0.000 0.443 129 S N -0.011 115.651 115.700 -0.062 0.000 2.387 129 S HA -0.079 4.392 4.470 0.001 0.000 0.226 129 S C 1.896 176.465 174.600 -0.052 0.000 1.026 129 S CA 1.035 59.210 58.200 -0.042 0.000 0.972 129 S CB -0.013 63.164 63.200 -0.038 0.000 0.814 129 S HN 0.127 8.437 8.310 -0.000 0.000 0.477 130 V N 1.400 121.239 119.914 -0.126 0.000 2.295 130 V HA -0.182 3.938 4.120 0.001 0.000 0.246 130 V C 1.832 177.912 176.094 -0.023 0.000 1.049 130 V CA 1.755 63.982 62.300 -0.122 0.000 1.024 130 V CB -0.832 30.840 31.823 -0.252 0.000 0.648 130 V HN 0.521 8.711 8.190 -0.000 0.000 0.447 131 F N 0.153 120.091 119.950 -0.020 0.000 2.161 131 F HA -0.190 4.337 4.527 0.001 0.000 0.300 131 F C 2.531 178.287 175.800 -0.073 0.000 1.089 131 F CA 1.346 59.315 58.000 -0.052 0.000 1.282 131 F CB -0.155 38.809 39.000 -0.061 0.000 1.010 131 F HN 0.225 8.525 8.300 -0.000 0.000 0.485 132 E N 0.077 120.346 120.200 0.116 0.000 2.274 132 E HA -0.140 4.210 4.350 0.001 0.000 0.194 132 E C 2.294 178.895 176.600 0.002 0.000 0.996 132 E CA 1.051 57.469 56.400 0.030 0.000 0.840 132 E CB -0.025 29.682 29.700 0.013 0.000 0.772 132 E HN 0.414 8.774 8.360 -0.000 0.000 0.491 133 V N -0.665 119.255 119.914 0.011 0.000 2.548 133 V HA -0.161 3.959 4.120 0.001 0.000 0.249 133 V C 1.800 177.886 176.094 -0.014 0.000 1.055 133 V CA 1.371 63.671 62.300 0.000 0.000 1.065 133 V CB -0.223 31.607 31.823 0.012 0.000 0.681 133 V HN 0.054 8.244 8.190 -0.000 0.000 0.462 134 K N 1.039 121.431 120.400 -0.014 0.000 2.103 134 K HA 0.159 4.479 4.320 0.001 0.000 0.204 134 K C 2.426 178.937 176.600 -0.148 0.000 1.052 134 K CA 1.343 57.588 56.287 -0.070 0.000 0.945 134 K CB -0.450 32.012 32.500 -0.063 0.000 0.722 134 K HN 0.578 8.828 8.250 -0.000 0.000 0.443 135 A N 1.820 124.565 122.820 -0.126 0.000 1.969 135 A HA -0.180 4.140 4.320 0.001 0.000 0.218 135 A C 2.005 179.502 177.584 -0.145 0.000 1.169 135 A CA 1.395 53.330 52.037 -0.171 0.000 0.635 135 A CB -0.291 18.635 19.000 -0.123 0.000 0.810 135 A HN 0.195 8.345 8.150 -0.000 0.000 0.445 136 K N -0.227 120.119 120.400 -0.091 0.000 2.148 136 K HA -0.059 4.262 4.320 0.001 0.000 0.204 136 K C 1.664 178.227 176.600 -0.063 0.000 1.050 136 K CA 1.421 57.670 56.287 -0.063 0.000 0.942 136 K CB -0.145 32.334 32.500 -0.035 0.000 0.724 136 K HN 0.260 8.510 8.250 -0.000 0.000 0.446 137 V N 1.251 121.119 119.914 -0.076 0.000 2.379 137 V HA -0.155 3.966 4.120 0.001 0.000 0.245 137 V C 2.271 178.302 176.094 -0.104 0.000 1.044 137 V CA 1.423 63.693 62.300 -0.051 0.000 1.036 137 V CB -0.437 31.368 31.823 -0.030 0.000 0.664 137 V HN 0.327 8.517 8.190 -0.000 0.000 0.453 138 R N -0.074 120.270 120.500 -0.259 0.000 2.096 138 R HA -0.232 4.109 4.340 0.001 0.000 0.240 138 R C 2.521 178.706 176.300 -0.190 0.000 1.139 138 R CA 1.851 57.712 56.100 -0.398 0.000 0.952 138 R CB -0.412 29.478 30.300 -0.684 0.000 0.854 138 R HN 0.288 8.558 8.270 -0.000 0.000 0.436 139 R N 0.311 120.727 120.500 -0.139 0.000 2.105 139 R HA -0.086 4.255 4.340 0.001 0.000 0.239 139 R C 2.147 178.429 176.300 -0.030 0.000 1.135 139 R CA 1.684 57.741 56.100 -0.072 0.000 0.967 139 R CB -0.483 29.781 30.300 -0.060 0.000 0.861 139 R HN 0.304 8.574 8.270 -0.000 0.000 0.442 140 A N -0.024 122.785 122.820 -0.018 0.000 1.929 140 A HA -0.062 4.258 4.320 0.001 0.000 0.216 140 A C 2.120 179.736 177.584 0.053 0.000 1.176 140 A CA 1.054 53.103 52.037 0.019 0.000 0.628 140 A CB -0.431 18.586 19.000 0.028 0.000 0.816 140 A HN 0.246 8.396 8.150 -0.000 0.000 0.444 141 I N -0.269 120.343 120.570 0.070 0.000 2.127 141 I HA -0.294 3.876 4.170 0.001 0.000 0.241 141 I C 2.524 178.709 176.117 0.114 0.000 1.075 141 I CA 1.839 63.222 61.300 0.138 0.000 1.334 141 I CB -0.439 37.646 38.000 0.141 0.000 1.040 141 I HN 0.417 8.627 8.210 -0.000 0.000 0.405 142 E N 0.811 121.032 120.200 0.035 0.000 2.077 142 E HA -0.234 4.117 4.350 0.001 0.000 0.193 142 E C 2.316 178.964 176.600 0.080 0.000 0.989 142 E CA 1.334 57.782 56.400 0.080 0.000 0.800 142 E CB -0.257 29.456 29.700 0.022 0.000 0.746 142 E HN 0.530 8.890 8.360 -0.000 0.000 0.452 143 A N 1.301 124.150 122.820 0.048 0.000 1.908 143 A HA -0.232 4.088 4.320 0.001 0.000 0.218 143 A C 1.807 179.419 177.584 0.047 0.000 1.181 143 A CA 1.508 53.569 52.037 0.040 0.000 0.627 143 A CB -0.319 18.697 19.000 0.025 0.000 0.818 143 A HN 0.145 8.295 8.150 -0.000 0.000 0.445 144 E N -1.263 118.972 120.200 0.058 0.000 2.465 144 E HA 0.296 4.646 4.350 0.001 0.000 0.191 144 E C 0.740 177.382 176.600 0.070 0.000 1.053 144 E CA 0.163 56.596 56.400 0.056 0.000 0.869 144 E CB -0.174 29.556 29.700 0.051 0.000 0.977 144 E HN 0.699 9.059 8.360 -0.000 0.000 0.483 145 G N 2.221 111.076 108.800 0.092 0.000 2.350 145 G HA2 -0.245 3.715 3.960 0.001 0.000 0.298 145 G HA3 -0.245 3.715 3.960 0.001 0.000 0.298 145 G C 0.088 175.062 174.900 0.123 0.000 1.037 145 G CA -0.080 45.084 45.100 0.106 0.000 1.074 145 G HN 0.170 8.460 8.290 -0.000 0.000 0.511 146 I N 1.473 122.152 120.570 0.182 0.000 2.395 146 I HA 0.246 4.416 4.170 0.001 0.000 0.289 146 I C -1.297 174.968 176.117 0.246 0.000 1.023 146 I CA -2.776 58.646 61.300 0.203 0.000 1.350 146 I CB 0.589 38.749 38.000 0.267 0.000 1.409 146 I HN 0.057 8.267 8.210 -0.000 0.000 0.507 147 P HA 0.152 4.572 4.420 -0.000 0.000 0.268 147 P C -1.358 175.976 177.300 0.057 0.000 1.205 147 P CA 0.436 63.519 63.100 -0.028 0.000 0.771 147 P CB 0.431 32.110 31.700 -0.036 0.000 0.858 148 Y N -1.490 118.715 120.300 -0.158 0.000 2.638 148 Y HA 0.755 5.306 4.550 0.001 0.000 0.335 148 Y C -1.268 174.274 175.900 -0.597 0.000 1.155 148 Y CA -1.152 56.758 58.100 -0.317 0.000 1.046 148 Y CB 0.649 38.918 38.460 -0.319 0.000 1.303 148 Y HN 0.234 8.514 8.280 -0.000 0.000 0.460 149 T N 1.832 116.013 114.554 -0.621 0.000 2.991 149 T HA 0.396 4.747 4.350 0.001 0.000 0.303 149 T C -1.710 172.629 174.700 -0.601 0.000 1.015 149 T CA -0.709 60.907 62.100 -0.806 0.000 1.007 149 T CB 0.533 68.616 68.868 -1.308 0.000 1.034 149 T HN 0.621 8.861 8.240 -0.000 0.000 0.446 150 Y N 1.563 121.660 120.300 -0.338 0.000 2.353 150 Y HA 0.482 5.032 4.550 0.001 0.000 0.340 150 Y C 0.273 175.935 175.900 -0.396 0.000 0.972 150 Y CA -1.219 56.660 58.100 -0.370 0.000 1.157 150 Y CB 1.044 39.317 38.460 -0.312 0.000 1.157 150 Y HN 0.270 8.550 8.280 -0.000 0.000 0.495 151 V N 3.539 123.277 119.914 -0.293 0.000 2.353 151 V HA 0.046 4.167 4.120 0.001 0.000 0.264 151 V C 0.258 176.155 176.094 -0.328 0.000 1.049 151 V CA -0.227 61.902 62.300 -0.285 0.000 0.896 151 V CB 1.159 32.847 31.823 -0.225 0.000 1.025 151 V HN 0.775 8.965 8.190 -0.000 0.000 0.475 152 S N 3.626 119.147 115.700 -0.298 0.000 2.835 152 S HA 0.156 4.626 4.470 0.001 0.000 0.286 152 S C 1.192 175.703 174.600 -0.147 0.000 1.194 152 S CA -0.169 57.881 58.200 -0.249 0.000 1.031 152 S CB 0.208 63.215 63.200 -0.321 0.000 1.216 152 S HN 0.924 9.234 8.310 -0.000 0.000 0.502 153 S N 4.065 119.706 115.700 -0.098 0.000 2.605 153 S HA 0.177 4.647 4.470 0.001 0.000 0.217 153 S C 0.904 175.436 174.600 -0.113 0.000 0.958 153 S CA -0.527 57.647 58.200 -0.044 0.000 0.919 153 S CB -0.484 62.783 63.200 0.112 0.000 0.780 153 S HN 0.754 9.064 8.310 -0.000 0.000 0.507 154 N N 0.421 119.016 118.700 -0.177 0.000 1.192 154 N HA -0.213 4.528 4.740 0.001 0.000 0.127 154 N C -0.296 175.032 175.510 -0.303 0.000 0.811 154 N CA 1.446 54.348 53.050 -0.247 0.000 0.897 154 N CB -1.601 36.745 38.487 -0.235 0.000 1.110 154 N HN 0.520 8.900 8.380 -0.000 0.000 0.573 155 C N 1.901 121.013 119.300 -0.314 0.000 2.499 155 C HA 0.396 4.856 4.460 0.001 0.000 0.386 155 C C 0.498 175.629 174.990 0.235 0.000 1.293 155 C CA -0.542 58.371 59.018 -0.174 0.000 1.884 155 C CB -1.714 25.795 27.740 -0.385 0.000 2.509 155 C HN 0.297 8.527 8.230 -0.000 0.000 0.566 156 F N 2.395 122.653 119.950 0.512 0.000 2.541 156 F HA 0.237 4.765 4.527 0.001 0.000 0.378 156 F C 1.403 177.472 175.800 0.447 0.000 1.068 156 F CA 0.026 58.304 58.000 0.463 0.000 1.199 156 F CB 0.120 39.445 39.000 0.541 0.000 1.091 156 F HN 0.803 9.103 8.300 -0.000 0.000 0.555 157 A N 3.561 126.615 122.820 0.390 0.000 1.972 157 A HA -0.055 4.266 4.320 0.001 0.000 0.219 157 A C 2.398 180.008 177.584 0.044 0.000 1.169 157 A CA 1.630 53.682 52.037 0.025 0.000 0.635 157 A CB -1.151 17.534 19.000 -0.525 0.000 0.810 157 A HN 0.874 9.024 8.150 -0.000 0.000 0.446 158 G N -2.545 106.416 108.800 0.268 0.000 2.484 158 G HA2 -0.092 3.868 3.960 0.001 0.000 0.218 158 G HA3 -0.092 3.868 3.960 0.001 0.000 0.218 158 G C 1.369 176.474 174.900 0.341 0.000 1.130 158 G CA 1.270 46.587 45.100 0.362 0.000 0.784 158 G HN 0.565 8.855 8.290 -0.000 0.000 0.543 159 Y N -0.363 120.051 120.300 0.189 0.000 2.351 159 Y HA 0.368 4.918 4.550 0.001 0.000 0.291 159 Y C 2.071 177.920 175.900 -0.084 0.000 1.153 159 Y CA 0.110 58.177 58.100 -0.056 0.000 1.193 159 Y CB -0.016 38.290 38.460 -0.256 0.000 1.187 159 Y HN 0.106 8.386 8.280 -0.000 0.000 0.524 160 F N -1.145 118.842 119.950 0.061 0.000 2.317 160 F HA -0.005 4.523 4.527 0.001 0.000 0.293 160 F C 1.999 177.785 175.800 -0.022 0.000 1.085 160 F CA 0.634 58.675 58.000 0.069 0.000 1.390 160 F CB -0.301 38.986 39.000 0.479 0.000 1.077 160 F HN 0.114 8.414 8.300 -0.000 0.000 0.517 161 L N 1.319 122.562 121.223 0.034 0.000 2.127 161 L HA -0.032 4.308 4.340 0.001 0.000 0.203 161 L C 2.523 179.172 176.870 -0.367 0.000 1.080 161 L CA 1.473 56.011 54.840 -0.503 0.000 0.768 161 L CB -0.653 40.995 42.059 -0.685 0.000 0.924 161 L HN 0.088 8.318 8.230 -0.000 0.000 0.444 162 R N -0.737 119.655 120.500 -0.180 0.000 2.241 162 R HA -0.058 4.282 4.340 0.001 0.000 0.224 162 R C 1.694 177.657 176.300 -0.561 0.000 1.101 162 R CA 1.388 57.228 56.100 -0.433 0.000 0.995 162 R CB -0.935 29.282 30.300 -0.139 0.000 0.870 162 R HN 0.517 8.787 8.270 -0.000 0.000 0.463 163 S N -0.253 115.202 115.700 -0.409 0.000 2.517 163 S HA 0.132 4.603 4.470 0.001 0.000 0.214 163 S C 0.751 175.119 174.600 -0.387 0.000 0.991 163 S CA -0.127 57.837 58.200 -0.394 0.000 0.906 163 S CB 0.154 63.126 63.200 -0.380 0.000 0.789 163 S HN 0.242 8.552 8.310 -0.000 0.000 0.513 164 L N 0.587 121.573 121.223 -0.395 0.000 3.608 164 L HA -0.225 4.115 4.340 0.001 0.000 0.422 164 L C 1.002 177.735 176.870 -0.229 0.000 1.260 164 L CA 0.545 55.187 54.840 -0.329 0.000 0.889 164 L CB -1.980 39.856 42.059 -0.371 0.000 1.821 164 L HN 0.978 9.208 8.230 -0.000 0.000 0.884 165 A N -1.745 120.968 122.820 -0.178 0.000 2.829 165 A HA -0.265 4.056 4.320 0.001 0.000 0.267 165 A C 0.779 178.184 177.584 -0.298 0.000 1.370 165 A CA 1.637 53.525 52.037 -0.249 0.000 0.900 165 A CB -1.163 17.464 19.000 -0.622 0.000 1.044 165 A HN 0.584 8.734 8.150 -0.000 0.000 0.691 166 Q N -0.307 119.338 119.800 -0.257 0.000 2.314 166 Q HA 0.584 4.925 4.340 0.001 0.000 0.257 166 Q C 0.267 176.139 176.000 -0.213 0.000 0.975 166 Q CA 0.671 56.346 55.803 -0.214 0.000 0.933 166 Q CB 1.176 29.799 28.738 -0.192 0.000 1.195 166 Q HN 1.070 9.340 8.270 -0.000 0.000 0.426 167 A N 1.317 124.047 122.820 -0.150 0.000 2.454 167 A HA 0.545 4.865 4.320 0.001 0.000 0.260 167 A C 1.117 178.652 177.584 -0.082 0.000 1.106 167 A CA 0.750 52.725 52.037 -0.103 0.000 0.780 167 A CB 0.001 18.985 19.000 -0.027 0.000 1.044 167 A HN 0.919 9.069 8.150 -0.000 0.000 0.498 168 G N 0.958 109.715 108.800 -0.072 0.000 2.551 168 G HA2 0.161 4.122 3.960 0.001 0.000 0.186 168 G HA3 0.161 4.122 3.960 0.001 0.000 0.186 168 G C 0.193 175.053 174.900 -0.067 0.000 1.002 168 G CA -0.059 45.008 45.100 -0.056 0.000 0.723 168 G HN 1.655 9.945 8.290 -0.000 0.000 0.481 169 L N -1.783 119.364 121.223 -0.125 0.000 5.621 169 L HA -0.120 4.221 4.340 0.001 0.000 0.281 169 L C 2.030 178.824 176.870 -0.127 0.000 1.106 169 L CA 2.329 57.083 54.840 -0.144 0.000 1.259 169 L CB -1.667 40.376 42.059 -0.026 0.000 2.049 169 L HN 1.167 9.397 8.230 -0.000 0.000 0.852 170 T N -3.291 111.206 114.554 -0.094 0.000 11.905 170 T HA -0.225 4.125 4.350 0.001 0.000 0.415 170 T C 0.080 174.727 174.700 -0.088 0.000 1.473 170 T CA 2.538 64.610 62.100 -0.048 0.000 2.431 170 T CB -0.965 67.899 68.868 -0.007 0.000 2.843 170 T HN 2.031 10.271 8.240 -0.000 0.000 0.889 171 A N 0.829 123.549 122.820 -0.168 0.000 2.574 171 A HA 0.687 5.007 4.320 0.001 0.000 0.297 171 A C -3.251 174.111 177.584 -0.369 0.000 1.062 171 A CA -1.492 50.399 52.037 -0.244 0.000 0.686 171 A CB 1.447 20.430 19.000 -0.029 0.000 1.285 171 A HN 0.119 8.269 8.150 -0.000 0.000 0.403 172 P HA 0.281 4.701 4.420 -0.000 0.000 0.271 172 P C -2.432 174.604 177.300 -0.440 0.000 1.220 172 P CA -0.664 61.948 63.100 -0.812 0.000 0.768 172 P CB 0.068 30.730 31.700 -1.730 0.000 0.848 173 P HA 0.054 4.474 4.420 -0.000 0.000 0.269 173 P C 0.127 177.538 177.300 0.186 0.000 1.209 173 P CA 0.094 63.176 63.100 -0.029 0.000 0.776 173 P CB 0.930 32.594 31.700 -0.060 0.000 0.876 174 R N 1.602 122.210 120.500 0.180 0.000 2.437 174 R HA 0.102 4.443 4.340 0.001 0.000 0.257 174 R C 0.464 176.830 176.300 0.110 0.000 0.927 174 R CA 0.328 56.555 56.100 0.212 0.000 1.078 174 R CB -0.015 30.382 30.300 0.161 0.000 1.161 174 R HN 0.552 8.822 8.270 -0.000 0.000 0.529 175 D N 0.410 120.855 120.400 0.075 0.000 3.099 175 D HA 0.039 4.679 4.640 0.001 0.000 0.291 175 D C 0.043 176.361 176.300 0.029 0.000 1.209 175 D CA 0.489 54.514 54.000 0.042 0.000 1.032 175 D CB 0.066 40.881 40.800 0.026 0.000 1.324 175 D HN -0.052 8.318 8.370 -0.000 0.000 0.440 176 K N -0.482 119.925 120.400 0.013 0.000 2.495 176 K HA 0.778 5.099 4.320 0.001 0.000 0.268 176 K C -1.392 175.187 176.600 -0.035 0.000 1.008 176 K CA -1.133 55.148 56.287 -0.011 0.000 0.882 176 K CB 2.744 35.231 32.500 -0.021 0.000 1.443 176 K HN 0.028 8.278 8.250 -0.000 0.000 0.447 177 V N 0.363 120.238 119.914 -0.065 0.000 2.971 177 V HA 0.605 4.726 4.120 0.001 0.000 0.309 177 V C -1.564 174.441 176.094 -0.147 0.000 1.130 177 V CA -0.858 61.380 62.300 -0.104 0.000 0.964 177 V CB 2.400 34.168 31.823 -0.092 0.000 1.029 177 V HN 0.561 8.751 8.190 -0.000 0.000 0.427 178 V N 6.881 126.702 119.914 -0.155 0.000 2.398 178 V HA 0.564 4.685 4.120 0.001 0.000 0.286 178 V C -0.192 175.780 176.094 -0.203 0.000 1.026 178 V CA -0.372 61.827 62.300 -0.169 0.000 0.868 178 V CB 1.565 33.321 31.823 -0.111 0.000 0.982 178 V HN 0.643 8.832 8.190 -0.000 0.000 0.443 179 I N 5.482 125.888 120.570 -0.273 0.000 2.474 179 I HA 0.450 4.620 4.170 0.001 0.000 0.294 179 I C -0.506 175.578 176.117 -0.055 0.000 1.005 179 I CA -0.574 60.597 61.300 -0.216 0.000 1.113 179 I CB 1.900 39.649 38.000 -0.418 0.000 1.289 179 I HN 0.319 8.529 8.210 -0.000 0.000 0.436 180 L N 5.242 126.482 121.223 0.028 0.000 2.325 180 L HA 0.607 4.947 4.340 0.001 0.000 0.279 180 L C 1.042 178.014 176.870 0.170 0.000 1.054 180 L CA -0.078 54.826 54.840 0.106 0.000 0.804 180 L CB 1.069 43.200 42.059 0.121 0.000 1.200 180 L HN 0.959 9.189 8.230 -0.000 0.000 0.436 181 G N 3.043 111.944 108.800 0.169 0.000 2.531 181 G HA2 -0.338 3.622 3.960 0.001 0.000 0.274 181 G HA3 -0.338 3.622 3.960 0.001 0.000 0.274 181 G C 0.329 175.347 174.900 0.197 0.000 1.159 181 G CA 0.404 45.594 45.100 0.149 0.000 0.969 181 G HN 0.875 9.165 8.290 -0.000 0.000 0.554 182 D N 0.860 121.340 120.400 0.133 0.000 2.367 182 D HA 0.370 5.010 4.640 0.001 0.000 0.207 182 D C 1.883 178.288 176.300 0.176 0.000 1.034 182 D CA 1.370 55.406 54.000 0.060 0.000 0.861 182 D CB -0.312 40.472 40.800 -0.026 0.000 0.943 182 D HN 2.293 10.663 8.370 -0.000 0.000 0.515 183 G N 0.865 109.816 108.800 0.252 0.000 2.148 183 G HA2 -0.302 3.659 3.960 0.001 0.000 0.254 183 G HA3 -0.302 3.659 3.960 0.001 0.000 0.254 183 G C 0.773 175.773 174.900 0.165 0.000 0.981 183 G CA 0.345 45.602 45.100 0.263 0.000 0.670 183 G HN 0.389 8.679 8.290 -0.000 0.000 0.528 184 N N 0.216 118.977 118.700 0.102 0.000 2.220 184 N HA 0.320 5.061 4.740 0.001 0.000 0.195 184 N C 1.157 176.687 175.510 0.034 0.000 1.123 184 N CA 0.650 53.735 53.050 0.059 0.000 0.874 184 N CB 0.528 39.031 38.487 0.027 0.000 0.995 184 N HN 0.774 9.154 8.380 -0.000 0.000 0.498 185 A N 1.690 124.532 122.820 0.036 0.000 2.484 185 A HA 0.183 4.504 4.320 0.001 0.000 0.268 185 A C 0.509 178.075 177.584 -0.031 0.000 1.114 185 A CA -0.120 51.910 52.037 -0.012 0.000 0.780 185 A CB 0.027 19.013 19.000 -0.024 0.000 1.061 185 A HN 0.130 8.280 8.150 -0.000 0.000 0.505 186 R N 0.904 121.364 120.500 -0.066 0.000 2.438 186 R HA 0.407 4.747 4.340 0.001 0.000 0.287 186 R C -0.106 176.078 176.300 -0.194 0.000 1.077 186 R CA 0.005 56.050 56.100 -0.092 0.000 1.034 186 R CB 0.905 31.153 30.300 -0.087 0.000 0.993 186 R HN 0.690 8.960 8.270 -0.000 0.000 0.459 187 V N -0.380 119.385 119.914 -0.248 0.000 2.876 187 V HA 0.561 4.682 4.120 0.001 0.000 0.312 187 V C -0.463 175.348 176.094 -0.472 0.000 1.085 187 V CA -0.991 61.027 62.300 -0.469 0.000 0.945 187 V CB 2.248 33.625 31.823 -0.743 0.000 1.017 187 V HN 0.380 8.570 8.190 -0.000 0.000 0.428 188 V N 3.814 123.437 119.914 -0.485 0.000 2.311 188 V HA 0.472 4.593 4.120 0.001 0.000 0.275 188 V C -0.440 175.433 176.094 -0.368 0.000 1.022 188 V CA -0.126 61.968 62.300 -0.343 0.000 0.830 188 V CB 0.315 31.995 31.823 -0.240 0.000 1.012 188 V HN 0.728 8.918 8.190 -0.000 0.000 0.452 189 F N 3.816 123.724 119.950 -0.070 0.000 2.420 189 F HA 0.583 5.111 4.527 0.001 0.000 0.352 189 F C 0.252 176.028 175.800 -0.040 0.000 1.108 189 F CA -0.507 57.471 58.000 -0.037 0.000 1.162 189 F CB 1.407 40.394 39.000 -0.023 0.000 1.118 189 F HN 0.201 8.501 8.300 -0.000 0.000 0.510 190 V N 3.596 123.611 119.914 0.168 0.000 2.588 190 V HA 0.289 4.409 4.120 0.001 0.000 0.304 190 V C -0.156 176.037 176.094 0.165 0.000 1.042 190 V CA -1.480 60.898 62.300 0.130 0.000 0.877 190 V CB 1.804 33.691 31.823 0.108 0.000 0.996 190 V HN 0.617 8.807 8.190 -0.000 0.000 0.425 191 K N 2.161 122.641 120.400 0.134 0.000 2.350 191 K HA 0.166 4.486 4.320 0.001 0.000 0.279 191 K C 0.810 177.470 176.600 0.100 0.000 1.027 191 K CA -0.201 56.153 56.287 0.113 0.000 0.969 191 K CB 0.962 33.566 32.500 0.173 0.000 0.954 191 K HN 0.700 8.950 8.250 -0.000 0.000 0.474 192 E N 2.592 122.782 120.200 -0.016 0.000 2.209 192 E HA -0.215 4.135 4.350 0.001 0.000 0.196 192 E C 1.086 177.491 176.600 -0.325 0.000 0.993 192 E CA 1.542 57.807 56.400 -0.225 0.000 0.819 192 E CB 0.101 29.384 29.700 -0.695 0.000 0.745 192 E HN 0.574 8.934 8.360 -0.000 0.000 0.477 193 E N 0.428 120.477 120.200 -0.252 0.000 2.072 193 E HA -0.142 4.208 4.350 0.001 0.000 0.191 193 E C 1.449 178.073 176.600 0.039 0.000 0.985 193 E CA 1.300 57.677 56.400 -0.038 0.000 0.801 193 E CB -0.073 29.650 29.700 0.038 0.000 0.750 193 E HN 0.261 8.621 8.360 -0.000 0.000 0.452 194 D N 0.084 120.532 120.400 0.080 0.000 2.178 194 D HA -0.099 4.541 4.640 0.001 0.000 0.202 194 D C 1.929 178.371 176.300 0.236 0.000 0.974 194 D CA 0.731 54.806 54.000 0.124 0.000 0.841 194 D CB -0.130 40.821 40.800 0.252 0.000 0.953 194 D HN 0.234 8.604 8.370 -0.000 0.000 0.478 195 I N 1.092 121.811 120.570 0.249 0.000 2.252 195 I HA -0.132 4.039 4.170 0.001 0.000 0.245 195 I C 2.575 178.835 176.117 0.239 0.000 1.102 195 I CA 1.180 62.665 61.300 0.308 0.000 1.385 195 I CB -0.522 37.668 38.000 0.317 0.000 1.064 195 I HN 0.004 8.214 8.210 -0.000 0.000 0.414 196 G N 0.647 109.529 108.800 0.136 0.000 2.459 196 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 196 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 196 G C 1.625 176.551 174.900 0.042 0.000 1.183 196 G CA 1.541 46.687 45.100 0.077 0.000 0.776 196 G HN 0.278 8.568 8.290 -0.000 0.000 0.552 197 T N 1.149 115.706 114.554 0.006 0.000 2.580 197 T HA -0.172 4.179 4.350 0.001 0.000 0.265 197 T C 2.085 176.727 174.700 -0.096 0.000 1.063 197 T CA 1.533 63.575 62.100 -0.097 0.000 1.170 197 T CB -0.563 68.175 68.868 -0.215 0.000 0.863 197 T HN 0.264 8.504 8.240 -0.000 0.000 0.418 198 F N 1.462 121.412 119.950 0.001 0.000 2.202 198 F HA -0.170 4.357 4.527 0.001 0.000 0.301 198 F C 2.892 178.693 175.800 0.001 0.000 1.082 198 F CA 0.945 58.932 58.000 -0.022 0.000 1.313 198 F CB -0.795 38.273 39.000 0.114 0.000 1.024 198 F HN 0.163 8.463 8.300 -0.000 0.000 0.495 199 T N 0.532 115.242 114.554 0.261 0.000 2.708 199 T HA -0.154 4.196 4.350 0.001 0.000 0.266 199 T C 1.972 176.678 174.700 0.012 0.000 1.037 199 T CA 1.160 63.395 62.100 0.225 0.000 1.146 199 T CB -0.161 68.857 68.868 0.250 0.000 0.865 199 T HN 0.075 8.315 8.240 -0.000 0.000 0.435 200 I N 0.820 121.339 120.570 -0.085 0.000 2.500 200 I HA -0.006 4.164 4.170 0.001 0.000 0.252 200 I C 2.286 178.321 176.117 -0.136 0.000 1.142 200 I CA 0.952 62.137 61.300 -0.191 0.000 1.451 200 I CB -0.835 37.054 38.000 -0.185 0.000 1.093 200 I HN 0.150 8.360 8.210 -0.000 0.000 0.430 201 K N 1.330 121.614 120.400 -0.194 0.000 2.152 201 K HA -0.085 4.236 4.320 0.001 0.000 0.206 201 K C 1.979 178.463 176.600 -0.193 0.000 1.048 201 K CA 1.392 57.452 56.287 -0.379 0.000 0.933 201 K CB -0.261 31.631 32.500 -1.013 0.000 0.721 201 K HN 0.309 8.559 8.250 -0.000 0.000 0.447 202 A N 1.097 123.926 122.820 0.015 0.000 2.167 202 A HA -0.044 4.277 4.320 0.001 0.000 0.214 202 A C 2.160 179.959 177.584 0.359 0.000 1.151 202 A CA 0.935 53.159 52.037 0.312 0.000 0.735 202 A CB -0.484 18.773 19.000 0.429 0.000 0.802 202 A HN 0.158 8.308 8.150 -0.000 0.000 0.467 203 V N -2.719 117.333 119.914 0.229 0.000 2.759 203 V HA -0.134 3.987 4.120 0.001 0.000 0.256 203 V C 1.193 177.421 176.094 0.222 0.000 1.080 203 V CA 2.363 64.809 62.300 0.244 0.000 1.101 203 V CB -0.447 31.324 31.823 -0.087 0.000 0.698 203 V HN 0.384 8.574 8.190 -0.000 0.000 0.477 204 D N -1.051 119.460 120.400 0.186 0.000 2.455 204 D HA 0.139 4.779 4.640 0.001 0.000 0.228 204 D C 0.603 176.984 176.300 0.135 0.000 1.070 204 D CA 0.223 54.316 54.000 0.155 0.000 0.881 204 D CB -0.171 40.724 40.800 0.158 0.000 1.087 204 D HN 0.444 8.814 8.370 -0.000 0.000 0.498 205 D N 1.303 121.802 120.400 0.166 0.000 2.648 205 D HA -0.060 4.580 4.640 0.001 0.000 0.229 205 D C -1.549 174.799 176.300 0.081 0.000 1.119 205 D CA -0.773 53.315 54.000 0.146 0.000 0.850 205 D CB 1.552 42.484 40.800 0.221 0.000 1.169 205 D HN -0.040 8.330 8.370 -0.000 0.000 0.489 206 P HA -0.003 4.417 4.420 -0.000 0.000 0.222 206 P C 1.038 178.331 177.300 -0.011 0.000 1.153 206 P CA 0.829 63.935 63.100 0.010 0.000 0.798 206 P CB 0.283 31.988 31.700 0.009 0.000 0.796 207 R N -0.687 119.815 120.500 0.003 0.000 2.152 207 R HA -0.051 4.290 4.340 0.001 0.000 0.232 207 R C 1.793 178.075 176.300 -0.031 0.000 1.117 207 R CA 1.900 57.989 56.100 -0.019 0.000 0.981 207 R CB -1.159 29.126 30.300 -0.025 0.000 0.870 207 R HN 0.325 8.595 8.270 -0.000 0.000 0.451 208 T N -1.507 113.040 114.554 -0.012 0.000 3.086 208 T HA 0.149 4.499 4.350 0.001 0.000 0.250 208 T C 0.766 175.368 174.700 -0.163 0.000 1.074 208 T CA -0.365 61.703 62.100 -0.054 0.000 0.988 208 T CB 0.167 69.053 68.868 0.030 0.000 0.988 208 T HN -0.006 8.234 8.240 -0.000 0.000 0.530 209 L N 2.761 123.893 121.223 -0.151 0.000 2.562 209 L HA 0.164 4.504 4.340 0.001 0.000 0.271 209 L C -0.486 176.164 176.870 -0.367 0.000 1.167 209 L CA 0.758 55.457 54.840 -0.235 0.000 0.917 209 L CB -1.144 40.828 42.059 -0.144 0.000 1.187 209 L HN 0.404 8.634 8.230 -0.000 0.000 0.482 210 N N 2.677 120.977 118.700 -0.667 0.000 2.725 210 N HA -0.217 4.524 4.740 0.001 0.000 0.251 210 N C -1.104 174.046 175.510 -0.600 0.000 1.031 210 N CA 0.981 53.336 53.050 -1.159 0.000 0.720 210 N CB -0.677 37.246 38.487 -0.939 0.000 0.930 210 N HN 0.512 8.892 8.380 -0.000 0.000 0.543 211 K N -0.897 119.239 120.400 -0.440 0.000 2.400 211 K HA 0.625 4.945 4.320 0.001 0.000 0.246 211 K C -0.389 176.072 176.600 -0.232 0.000 0.995 211 K CA -0.497 55.657 56.287 -0.222 0.000 0.840 211 K CB 1.297 33.705 32.500 -0.154 0.000 1.293 211 K HN -0.014 8.236 8.250 -0.000 0.000 0.445 212 T N 1.882 116.354 114.554 -0.136 0.000 2.743 212 T HA 0.361 4.712 4.350 0.001 0.000 0.292 212 T C -0.928 173.551 174.700 -0.369 0.000 0.972 212 T CA -0.526 61.427 62.100 -0.246 0.000 0.967 212 T CB 0.359 69.080 68.868 -0.245 0.000 0.926 212 T HN 0.258 8.498 8.240 -0.000 0.000 0.459 213 L N 5.626 126.644 121.223 -0.341 0.000 2.260 213 L HA 0.454 4.795 4.340 0.001 0.000 0.289 213 L C -1.344 175.315 176.870 -0.351 0.000 1.057 213 L CA -0.452 54.253 54.840 -0.225 0.000 0.811 213 L CB -0.236 41.781 42.059 -0.071 0.000 1.184 213 L HN 0.542 8.772 8.230 -0.000 0.000 0.429 214 Y N 5.319 125.572 120.300 -0.079 0.000 2.320 214 Y HA 0.467 5.017 4.550 0.001 0.000 0.334 214 Y C -0.285 175.505 175.900 -0.184 0.000 1.055 214 Y CA -0.777 57.250 58.100 -0.121 0.000 1.143 214 Y CB 1.213 39.587 38.460 -0.144 0.000 1.193 214 Y HN 0.369 8.649 8.280 -0.000 0.000 0.477 215 L N 5.339 126.523 121.223 -0.064 0.000 2.315 215 L HA 0.388 4.728 4.340 0.001 0.000 0.278 215 L C -0.128 176.639 176.870 -0.172 0.000 1.088 215 L CA -0.070 54.650 54.840 -0.199 0.000 0.899 215 L CB 0.036 41.976 42.059 -0.199 0.000 1.277 215 L HN 0.495 8.725 8.230 -0.000 0.000 0.431 216 R N 4.246 124.640 120.500 -0.178 0.000 2.587 216 R HA 0.413 4.753 4.340 0.001 0.000 0.283 216 R C -1.012 175.182 176.300 -0.176 0.000 1.472 216 R CA -0.500 55.492 56.100 -0.179 0.000 1.578 216 R CB 0.631 30.817 30.300 -0.190 0.000 1.130 216 R HN 0.443 8.713 8.270 -0.000 0.000 0.602 217 L N 3.022 124.104 121.223 -0.235 0.000 2.315 217 L HA 0.248 4.588 4.340 0.001 0.000 0.283 217 L C -1.577 175.233 176.870 -0.099 0.000 1.089 217 L CA -1.903 52.761 54.840 -0.294 0.000 0.833 217 L CB 0.934 42.521 42.059 -0.786 0.000 1.170 217 L HN 0.053 8.283 8.230 -0.000 0.000 0.442 218 P HA -0.190 4.230 4.420 -0.000 0.000 0.215 218 P C 1.292 178.669 177.300 0.128 0.000 1.157 218 P CA 1.300 64.449 63.100 0.082 0.000 0.868 218 P CB 0.318 32.083 31.700 0.107 0.000 0.788 219 A N -1.213 121.758 122.820 0.252 0.000 2.209 219 A HA -0.085 4.236 4.320 0.001 0.000 0.212 219 A C 1.547 179.264 177.584 0.222 0.000 1.158 219 A CA 1.336 53.522 52.037 0.248 0.000 0.742 219 A CB -0.935 18.262 19.000 0.329 0.000 0.790 219 A HN 0.138 8.288 8.150 -0.000 0.000 0.472 220 N N -0.980 117.815 118.700 0.159 0.000 2.184 220 N HA 0.075 4.816 4.740 0.001 0.000 0.206 220 N C -0.567 175.008 175.510 0.109 0.000 1.151 220 N CA 0.318 53.453 53.050 0.143 0.000 0.878 220 N CB 0.533 39.051 38.487 0.052 0.000 1.014 220 N HN 0.148 8.528 8.380 -0.000 0.000 0.512 221 T N 2.575 117.155 114.554 0.044 0.000 2.747 221 T HA 0.518 4.868 4.350 0.001 0.000 0.301 221 T C -0.411 174.312 174.700 0.037 0.000 0.952 221 T CA -0.361 61.732 62.100 -0.012 0.000 0.983 221 T CB 0.130 68.961 68.868 -0.062 0.000 0.930 221 T HN -0.016 8.224 8.240 -0.000 0.000 0.494 222 L N 0.563 121.825 121.223 0.065 0.000 2.479 222 L HA 0.847 5.187 4.340 0.001 0.000 0.255 222 L C 0.168 177.095 176.870 0.094 0.000 1.026 222 L CA -1.403 53.496 54.840 0.098 0.000 0.842 222 L CB 0.842 43.000 42.059 0.166 0.000 1.444 222 L HN 0.435 8.665 8.230 -0.000 0.000 0.409 223 S N 0.043 115.803 115.700 0.099 0.000 2.632 223 S HA 0.447 4.917 4.470 0.001 0.000 0.271 223 S C 0.904 175.615 174.600 0.185 0.000 1.260 223 S CA -0.423 57.844 58.200 0.111 0.000 1.010 223 S CB 0.977 64.228 63.200 0.084 0.000 0.965 223 S HN 0.800 9.110 8.310 -0.000 0.000 0.534 224 L N 1.660 123.014 121.223 0.218 0.000 2.191 224 L HA -0.009 4.331 4.340 0.001 0.000 0.212 224 L C 1.874 178.839 176.870 0.157 0.000 1.103 224 L CA 1.672 56.643 54.840 0.218 0.000 0.769 224 L CB -1.383 40.798 42.059 0.203 0.000 0.908 224 L HN 0.733 8.963 8.230 -0.000 0.000 0.438 225 N N 0.000 118.797 118.700 0.161 0.000 2.244 225 N HA -0.159 4.582 4.740 0.001 0.000 0.183 225 N C 1.650 177.238 175.510 0.129 0.000 1.016 225 N CA 1.396 54.538 53.050 0.153 0.000 0.866 225 N CB -0.030 38.555 38.487 0.163 0.000 0.980 225 N HN 0.566 8.946 8.380 -0.000 0.000 0.430 226 E N 0.098 120.374 120.200 0.126 0.000 2.158 226 E HA -0.074 4.277 4.350 0.001 0.000 0.191 226 E C 1.715 178.395 176.600 0.134 0.000 0.982 226 E CA 0.187 56.658 56.400 0.118 0.000 0.823 226 E CB 0.020 29.786 29.700 0.110 0.000 0.766 226 E HN 0.102 8.462 8.360 -0.000 0.000 0.468 227 L N 0.732 122.046 121.223 0.152 0.000 2.027 227 L HA -0.137 4.204 4.340 0.001 0.000 0.206 227 L C 2.174 179.125 176.870 0.134 0.000 1.074 227 L CA 1.367 56.290 54.840 0.139 0.000 0.745 227 L CB -0.313 41.828 42.059 0.138 0.000 0.898 227 L HN -0.056 8.174 8.230 -0.000 0.000 0.433 228 V N -0.028 119.958 119.914 0.120 0.000 2.295 228 V HA -0.287 3.833 4.120 0.001 0.000 0.246 228 V C 2.775 178.967 176.094 0.163 0.000 1.049 228 V CA 1.614 63.995 62.300 0.134 0.000 1.024 228 V CB -1.282 30.592 31.823 0.085 0.000 0.648 228 V HN 0.597 8.787 8.190 -0.000 0.000 0.447 229 A N -0.355 122.543 122.820 0.131 0.000 1.877 229 A HA -0.217 4.103 4.320 0.001 0.000 0.216 229 A C 2.273 179.928 177.584 0.118 0.000 1.186 229 A CA 2.191 54.294 52.037 0.110 0.000 0.620 229 A CB -0.614 18.442 19.000 0.094 0.000 0.822 229 A HN 0.503 8.653 8.150 -0.000 0.000 0.443 230 L N -2.197 119.111 121.223 0.142 0.000 2.012 230 L HA -0.194 4.147 4.340 0.001 0.000 0.210 230 L C 2.436 179.422 176.870 0.192 0.000 1.073 230 L CA 2.074 57.004 54.840 0.150 0.000 0.748 230 L CB -0.302 41.858 42.059 0.167 0.000 0.891 230 L HN 0.646 8.876 8.230 -0.000 0.000 0.431 231 W N 1.172 122.490 121.300 0.031 0.000 2.388 231 W HA -0.168 4.493 4.660 0.001 0.000 0.294 231 W C 2.474 179.007 176.519 0.022 0.000 1.212 231 W CA 1.706 59.066 57.345 0.025 0.000 1.271 231 W CB -0.118 29.344 29.460 0.004 0.000 1.126 231 W HN 0.214 8.394 8.180 -0.000 0.000 0.535 232 E N -0.199 120.070 120.200 0.116 0.000 2.097 232 E HA -0.310 4.040 4.350 0.001 0.000 0.196 232 E C 2.073 178.621 176.600 -0.087 0.000 1.000 232 E CA 1.657 58.056 56.400 -0.002 0.000 0.804 232 E CB -0.356 29.376 29.700 0.053 0.000 0.740 232 E HN 0.234 8.594 8.360 -0.000 0.000 0.454 233 K N 0.860 121.232 120.400 -0.048 0.000 2.097 233 K HA -0.149 4.172 4.320 0.001 0.000 0.205 233 K C 1.939 178.473 176.600 -0.109 0.000 1.050 233 K CA 0.932 57.188 56.287 -0.052 0.000 0.938 233 K CB 0.206 32.704 32.500 -0.003 0.000 0.718 233 K HN -0.090 8.160 8.250 -0.000 0.000 0.442 234 K N 0.852 121.145 120.400 -0.179 0.000 2.057 234 K HA -0.141 4.179 4.320 0.001 0.000 0.207 234 K C 2.060 178.466 176.600 -0.323 0.000 1.049 234 K CA 1.553 57.695 56.287 -0.242 0.000 0.931 234 K CB -0.284 32.013 32.500 -0.338 0.000 0.714 234 K HN 0.451 8.701 8.250 -0.000 0.000 0.440 235 I N -1.176 119.101 120.570 -0.487 0.000 3.861 235 I HA 0.160 4.330 4.170 0.001 0.000 0.329 235 I C -0.644 175.328 176.117 -0.241 0.000 1.321 235 I CA -0.317 60.727 61.300 -0.426 0.000 1.126 235 I CB -0.283 37.308 38.000 -0.682 0.000 1.018 235 I HN -0.093 8.117 8.210 -0.000 0.000 0.407 236 D N 3.198 123.491 120.400 -0.179 0.000 2.886 236 D HA -0.260 4.381 4.640 0.001 0.000 0.221 236 D C -0.248 176.002 176.300 -0.084 0.000 1.227 236 D CA 1.214 55.152 54.000 -0.104 0.000 0.746 236 D CB -0.335 40.417 40.800 -0.079 0.000 0.935 236 D HN 0.777 9.147 8.370 -0.000 0.000 0.399 237 K N 0.329 120.681 120.400 -0.080 0.000 2.610 237 K HA 0.327 4.648 4.320 0.001 0.000 0.267 237 K C -1.149 175.438 176.600 -0.023 0.000 0.943 237 K CA -0.489 55.769 56.287 -0.049 0.000 0.862 237 K CB 0.891 33.357 32.500 -0.057 0.000 1.376 237 K HN 0.119 8.369 8.250 -0.000 0.000 0.412 238 T N 1.126 115.681 114.554 0.002 0.000 2.829 238 T HA 0.551 4.902 4.350 0.001 0.000 0.282 238 T C -0.093 174.626 174.700 0.032 0.000 0.990 238 T CA -0.913 61.201 62.100 0.024 0.000 1.028 238 T CB 0.937 69.820 68.868 0.026 0.000 0.951 238 T HN 0.219 8.459 8.240 -0.000 0.000 0.460 239 L N 1.898 123.150 121.223 0.048 0.000 2.416 239 L HA 0.477 4.818 4.340 0.001 0.000 0.262 239 L C 0.803 177.691 176.870 0.029 0.000 1.093 239 L CA -0.284 54.584 54.840 0.046 0.000 0.801 239 L CB 0.383 42.482 42.059 0.066 0.000 1.191 239 L HN 0.732 8.962 8.230 -0.000 0.000 0.459 240 E N 0.622 120.831 120.200 0.015 0.000 2.283 240 E HA 0.431 4.782 4.350 0.001 0.000 0.271 240 E C -0.918 175.666 176.600 -0.026 0.000 1.031 240 E CA -0.651 55.752 56.400 0.006 0.000 0.868 240 E CB 1.195 30.897 29.700 0.003 0.000 1.094 240 E HN 0.363 8.723 8.360 -0.000 0.000 0.401 241 K N 0.555 120.934 120.400 -0.034 0.000 2.318 241 K HA 0.712 5.033 4.320 0.001 0.000 0.249 241 K C -1.309 175.207 176.600 -0.141 0.000 0.942 241 K CA -0.849 55.350 56.287 -0.147 0.000 0.808 241 K CB 2.181 34.561 32.500 -0.200 0.000 1.189 241 K HN 0.466 8.716 8.250 -0.000 0.000 0.428 242 A N 2.268 124.917 122.820 -0.284 0.000 2.359 242 A HA 0.559 4.879 4.320 0.001 0.000 0.303 242 A C -1.791 175.605 177.584 -0.314 0.000 1.066 242 A CA -0.600 51.336 52.037 -0.169 0.000 0.730 242 A CB 0.465 19.411 19.000 -0.091 0.000 1.211 242 A HN 0.651 8.801 8.150 -0.000 0.000 0.439 243 Y N 1.554 121.864 120.300 0.016 0.000 2.331 243 Y HA 0.463 5.013 4.550 0.001 0.000 0.338 243 Y C 0.120 176.033 175.900 0.023 0.000 0.976 243 Y CA -0.560 57.552 58.100 0.020 0.000 1.137 243 Y CB 2.051 40.525 38.460 0.023 0.000 1.172 243 Y HN 0.396 8.676 8.280 -0.000 0.000 0.478 244 V N 6.661 126.663 119.914 0.147 0.000 2.364 244 V HA 0.288 4.408 4.120 0.001 0.000 0.272 244 V C -1.968 174.199 176.094 0.123 0.000 1.036 244 V CA -2.172 60.192 62.300 0.107 0.000 0.880 244 V CB 0.774 32.637 31.823 0.067 0.000 0.991 244 V HN 0.597 8.787 8.190 -0.000 0.000 0.460 245 P HA 0.016 4.436 4.420 -0.000 0.000 0.270 245 P C 0.782 178.141 177.300 0.097 0.000 1.227 245 P CA 0.014 63.168 63.100 0.090 0.000 0.788 245 P CB 1.181 32.920 31.700 0.065 0.000 0.926 246 E N 0.491 120.753 120.200 0.103 0.000 2.209 246 E HA -0.236 4.114 4.350 0.001 0.000 0.196 246 E C 1.244 177.901 176.600 0.095 0.000 0.993 246 E CA 1.300 57.781 56.400 0.135 0.000 0.819 246 E CB 0.051 29.838 29.700 0.146 0.000 0.745 246 E HN 0.403 8.763 8.360 -0.000 0.000 0.477 247 E N 0.530 120.769 120.200 0.064 0.000 2.106 247 E HA -0.171 4.180 4.350 0.001 0.000 0.192 247 E C 1.739 178.360 176.600 0.035 0.000 0.984 247 E CA 1.138 57.562 56.400 0.041 0.000 0.806 247 E CB 0.004 29.723 29.700 0.033 0.000 0.750 247 E HN 0.234 8.594 8.360 -0.000 0.000 0.458 248 E N 0.115 120.342 120.200 0.045 0.000 2.385 248 E HA 0.016 4.366 4.350 0.001 0.000 0.194 248 E C 2.025 178.651 176.600 0.043 0.000 1.013 248 E CA 0.222 56.646 56.400 0.039 0.000 0.866 248 E CB 0.036 29.761 29.700 0.041 0.000 0.832 248 E HN 0.139 8.499 8.360 -0.000 0.000 0.500 249 V N 1.007 120.959 119.914 0.063 0.000 2.379 249 V HA -0.185 3.935 4.120 0.001 0.000 0.245 249 V C 2.185 178.297 176.094 0.028 0.000 1.044 249 V CA 0.980 63.325 62.300 0.075 0.000 1.036 249 V CB -0.325 31.590 31.823 0.154 0.000 0.664 249 V HN 0.163 8.353 8.190 -0.000 0.000 0.453 250 L N 0.136 121.357 121.223 -0.003 0.000 2.083 250 L HA -0.147 4.193 4.340 0.001 0.000 0.209 250 L C 2.349 179.205 176.870 -0.024 0.000 1.083 250 L CA 1.837 56.646 54.840 -0.052 0.000 0.752 250 L CB -0.935 41.089 42.059 -0.059 0.000 0.899 250 L HN 0.303 8.533 8.230 -0.000 0.000 0.433 251 K N -0.835 119.563 120.400 -0.003 0.000 2.057 251 K HA -0.177 4.144 4.320 0.001 0.000 0.206 251 K C 2.137 178.740 176.600 0.005 0.000 1.050 251 K CA 1.037 57.326 56.287 0.002 0.000 0.935 251 K CB -0.114 32.392 32.500 0.010 0.000 0.715 251 K HN 0.114 8.364 8.250 -0.000 0.000 0.439 252 L N 1.520 122.749 121.223 0.011 0.000 2.056 252 L HA -0.092 4.248 4.340 0.001 0.000 0.207 252 L C 1.921 178.797 176.870 0.010 0.000 1.078 252 L CA 1.400 56.248 54.840 0.014 0.000 0.749 252 L CB -0.237 41.835 42.059 0.022 0.000 0.901 252 L HN 0.213 8.443 8.230 -0.000 0.000 0.433 253 I N -0.519 120.055 120.570 0.006 0.000 2.151 253 I HA -0.364 3.806 4.170 0.001 0.000 0.243 253 I C 2.545 178.663 176.117 0.001 0.000 1.080 253 I CA 1.437 62.737 61.300 0.001 0.000 1.339 253 I CB -0.689 37.300 38.000 -0.019 0.000 1.039 253 I HN 0.334 8.544 8.210 -0.000 0.000 0.409 254 A N -0.144 122.673 122.820 -0.004 0.000 2.019 254 A HA -0.197 4.123 4.320 0.001 0.000 0.219 254 A C 1.460 179.047 177.584 0.006 0.000 1.164 254 A CA 1.881 53.917 52.037 -0.001 0.000 0.644 254 A CB -0.381 18.616 19.000 -0.005 0.000 0.805 254 A HN 0.385 8.535 8.150 -0.000 0.000 0.449 255 D N -0.582 119.823 120.400 0.007 0.000 2.463 255 D HA 0.185 4.825 4.640 0.001 0.000 0.224 255 D C -0.418 175.889 176.300 0.011 0.000 1.174 255 D CA 0.378 54.383 54.000 0.009 0.000 0.829 255 D CB 0.429 41.233 40.800 0.008 0.000 0.993 255 D HN 0.179 8.549 8.370 -0.000 0.000 0.497 256 T N 1.917 116.479 114.554 0.014 0.000 2.863 256 T HA 0.452 4.803 4.350 0.001 0.000 0.285 256 T C -2.528 172.187 174.700 0.025 0.000 1.009 256 T CA -1.345 60.764 62.100 0.014 0.000 0.989 256 T CB 2.948 71.821 68.868 0.009 0.000 1.004 256 T HN -0.092 8.148 8.240 -0.000 0.000 0.455 257 P HA 0.370 4.790 4.420 -0.000 0.000 0.278 257 P C -0.439 176.910 177.300 0.082 0.000 1.266 257 P CA -0.792 62.347 63.100 0.065 0.000 0.807 257 P CB 0.646 32.384 31.700 0.063 0.000 1.094 258 F N 2.848 122.792 119.950 -0.011 0.000 2.563 258 F HA 0.137 4.664 4.527 0.001 0.000 0.363 258 F C -1.095 174.699 175.800 -0.011 0.000 1.123 258 F CA -1.079 56.913 58.000 -0.014 0.000 1.307 258 F CB 0.140 39.130 39.000 -0.016 0.000 1.115 258 F HN 0.241 8.541 8.300 -0.000 0.000 0.592 259 P HA 0.146 4.566 4.420 -0.000 0.000 0.261 259 P C 0.696 177.773 177.300 -0.371 0.000 1.268 259 P CA 0.748 63.252 63.100 -0.995 0.000 0.833 259 P CB 0.187 31.164 31.700 -1.205 0.000 1.231 260 A N 2.282 124.974 122.820 -0.213 0.000 2.019 260 A HA -0.191 4.129 4.320 0.001 0.000 0.219 260 A C 2.020 179.575 177.584 -0.049 0.000 1.164 260 A CA 1.654 53.629 52.037 -0.103 0.000 0.644 260 A CB -1.135 17.827 19.000 -0.064 0.000 0.805 260 A HN 0.333 8.483 8.150 -0.000 0.000 0.449 261 N N 0.843 119.523 118.700 -0.033 0.000 2.309 261 N HA -0.102 4.639 4.740 0.001 0.000 0.182 261 N C 1.354 176.862 175.510 -0.003 0.000 1.018 261 N CA 1.681 54.731 53.050 0.001 0.000 0.876 261 N CB -0.729 37.773 38.487 0.025 0.000 0.972 261 N HN 0.566 8.946 8.380 -0.000 0.000 0.434 262 I N 0.393 120.947 120.570 -0.027 0.000 2.286 262 I HA -0.147 4.024 4.170 0.001 0.000 0.245 262 I C 1.988 178.098 176.117 -0.012 0.000 1.104 262 I CA 0.671 61.950 61.300 -0.035 0.000 1.397 262 I CB -0.371 37.598 38.000 -0.051 0.000 1.072 262 I HN 0.042 8.252 8.210 -0.000 0.000 0.417 263 S N 1.414 117.111 115.700 -0.005 0.000 2.359 263 S HA -0.172 4.299 4.470 0.001 0.000 0.223 263 S C 2.043 176.721 174.600 0.130 0.000 1.039 263 S CA 1.560 59.800 58.200 0.067 0.000 1.042 263 S CB -0.409 62.818 63.200 0.044 0.000 0.915 263 S HN 0.342 8.652 8.310 -0.000 0.000 0.439 264 I N 1.659 122.284 120.570 0.092 0.000 2.226 264 I HA -0.202 3.968 4.170 0.001 0.000 0.245 264 I C 2.680 178.886 176.117 0.148 0.000 1.100 264 I CA 1.143 62.514 61.300 0.117 0.000 1.374 264 I CB -0.551 37.490 38.000 0.070 0.000 1.057 264 I HN 0.272 8.482 8.210 -0.000 0.000 0.413 265 A N 0.998 123.874 122.820 0.094 0.000 1.969 265 A HA -0.108 4.213 4.320 0.001 0.000 0.218 265 A C 2.302 179.986 177.584 0.165 0.000 1.169 265 A CA 1.206 53.301 52.037 0.096 0.000 0.635 265 A CB -0.643 18.357 19.000 0.000 0.000 0.810 265 A HN 0.369 8.519 8.150 -0.000 0.000 0.445 266 I N -0.589 120.065 120.570 0.141 0.000 2.202 266 I HA -0.198 3.972 4.170 0.001 0.000 0.242 266 I C 2.593 178.906 176.117 0.328 0.000 1.091 266 I CA 1.383 62.831 61.300 0.248 0.000 1.368 266 I CB -0.354 37.791 38.000 0.242 0.000 1.058 266 I HN 0.207 8.417 8.210 -0.000 0.000 0.410 267 S N -0.451 115.485 115.700 0.392 0.000 2.400 267 S HA -0.275 4.195 4.470 0.001 0.000 0.232 267 S C 1.898 176.750 174.600 0.421 0.000 1.025 267 S CA 1.528 60.051 58.200 0.538 0.000 0.993 267 S CB -0.496 62.978 63.200 0.456 0.000 0.808 267 S HN 0.533 8.844 8.310 -0.000 0.000 0.478 268 H N 1.168 120.374 119.070 0.225 0.000 2.293 268 H HA -0.011 4.546 4.556 0.001 0.000 0.300 268 H C 2.405 177.813 175.328 0.134 0.000 1.082 268 H CA 2.009 58.156 56.048 0.165 0.000 1.308 268 H CB -0.628 29.208 29.762 0.122 0.000 1.375 268 H HN 0.273 8.553 8.280 -0.000 0.000 0.495 269 S N -0.784 114.988 115.700 0.120 0.000 2.374 269 S HA -0.143 4.328 4.470 0.001 0.000 0.227 269 S C 2.124 176.658 174.600 -0.111 0.000 1.037 269 S CA 1.769 59.998 58.200 0.048 0.000 1.024 269 S CB -0.396 62.970 63.200 0.277 0.000 0.861 269 S HN 0.492 8.802 8.310 -0.000 0.000 0.456 270 I N -0.798 119.659 120.570 -0.189 0.000 2.270 270 I HA 0.026 4.197 4.170 0.001 0.000 0.239 270 I C 1.674 177.431 176.117 -0.600 0.000 1.080 270 I CA 1.042 62.020 61.300 -0.536 0.000 1.383 270 I CB -0.315 37.109 38.000 -0.960 0.000 1.097 270 I HN 0.255 8.465 8.210 -0.000 0.000 0.420 271 F N -0.350 119.549 119.950 -0.085 0.000 2.619 271 F HA 0.053 4.581 4.527 0.001 0.000 0.293 271 F C 2.042 177.813 175.800 -0.049 0.000 1.119 271 F CA 0.473 58.439 58.000 -0.057 0.000 1.445 271 F CB -0.413 38.583 39.000 -0.006 0.000 1.119 271 F HN -0.202 8.098 8.300 -0.000 0.000 0.573 272 V N -0.689 119.246 119.914 0.035 0.000 2.599 272 V HA -0.029 4.092 4.120 0.001 0.000 0.237 272 V C 2.135 178.144 176.094 -0.142 0.000 1.081 272 V CA 0.897 63.171 62.300 -0.044 0.000 1.107 272 V CB -0.265 31.502 31.823 -0.093 0.000 0.808 272 V HN -0.003 8.187 8.190 -0.000 0.000 0.486 273 K N 0.756 121.003 120.400 -0.255 0.000 2.296 273 K HA 0.126 4.446 4.320 0.001 0.000 0.200 273 K C 1.547 178.086 176.600 -0.101 0.000 1.048 273 K CA 0.902 57.087 56.287 -0.170 0.000 0.966 273 K CB -0.655 31.766 32.500 -0.131 0.000 0.754 273 K HN 0.618 8.868 8.250 -0.000 0.000 0.466 274 G N 2.813 111.537 108.800 -0.127 0.000 2.246 274 G HA2 -0.234 3.726 3.960 0.001 0.000 0.273 274 G HA3 -0.234 3.726 3.960 0.001 0.000 0.273 274 G C 0.186 175.041 174.900 -0.076 0.000 1.055 274 G CA 0.501 45.525 45.100 -0.128 0.000 0.851 274 G HN 0.215 8.505 8.290 -0.000 0.000 0.500 275 D N -0.238 120.124 120.400 -0.064 0.000 2.384 275 D HA -0.046 4.595 4.640 0.001 0.000 0.222 275 D C 2.306 178.652 176.300 0.077 0.000 0.976 275 D CA 0.987 54.999 54.000 0.021 0.000 0.915 275 D CB 0.121 40.881 40.800 -0.066 0.000 0.896 275 D HN 0.730 9.100 8.370 -0.000 0.000 0.523 276 Q N -0.710 119.045 119.800 -0.075 0.000 2.311 276 Q HA -0.024 4.316 4.340 0.001 0.000 0.203 276 Q C 1.436 177.339 176.000 -0.162 0.000 0.954 276 Q CA 1.160 56.902 55.803 -0.102 0.000 0.885 276 Q CB 0.410 28.985 28.738 -0.272 0.000 0.963 276 Q HN 0.333 8.603 8.270 -0.000 0.000 0.471 277 T N -3.276 111.182 114.554 -0.160 0.000 3.130 277 T HA 0.018 4.369 4.350 0.001 0.000 0.288 277 T C 0.747 175.336 174.700 -0.185 0.000 0.936 277 T CA -0.072 61.878 62.100 -0.251 0.000 0.897 277 T CB -0.115 68.631 68.868 -0.203 0.000 1.178 277 T HN 0.142 8.382 8.240 -0.000 0.000 0.543 278 N N 2.043 120.741 118.700 -0.003 0.000 2.362 278 N HA 0.217 4.957 4.740 0.001 0.000 0.204 278 N C -0.173 175.438 175.510 0.168 0.000 1.166 278 N CA -0.731 52.350 53.050 0.051 0.000 0.831 278 N CB -0.688 37.836 38.487 0.061 0.000 1.008 278 N HN 0.675 9.055 8.380 -0.000 0.000 0.472 279 F N -1.560 118.330 119.950 -0.100 0.000 2.643 279 F HA 0.650 5.178 4.527 0.001 0.000 0.314 279 F C -0.493 175.211 175.800 -0.159 0.000 1.096 279 F CA -1.682 56.256 58.000 -0.102 0.000 0.953 279 F CB 0.745 39.692 39.000 -0.088 0.000 1.345 279 F HN -0.117 8.183 8.300 -0.000 0.000 0.468 280 E N 2.117 122.286 120.200 -0.051 0.000 2.266 280 E HA 0.338 4.688 4.350 0.001 0.000 0.277 280 E C -0.672 175.813 176.600 -0.192 0.000 1.018 280 E CA -0.503 55.782 56.400 -0.192 0.000 0.840 280 E CB 1.644 31.296 29.700 -0.080 0.000 1.082 280 E HN 0.799 9.159 8.360 -0.000 0.000 0.395 281 I N 2.999 123.345 120.570 -0.373 0.000 2.587 281 I HA 0.120 4.290 4.170 0.001 0.000 0.284 281 I C 1.125 177.183 176.117 -0.099 0.000 1.134 281 I CA 0.172 61.264 61.300 -0.346 0.000 1.410 281 I CB 0.491 38.230 38.000 -0.436 0.000 1.392 281 I HN 0.647 8.857 8.210 -0.000 0.000 0.545 282 G N 7.365 116.175 108.800 0.016 0.000 2.535 282 G HA2 0.243 4.204 3.960 0.001 0.000 0.282 282 G HA3 0.243 4.204 3.960 0.001 0.000 0.282 282 G C -1.192 173.727 174.900 0.032 0.000 1.350 282 G CA -0.610 44.512 45.100 0.036 0.000 1.039 282 G HN 0.514 8.804 8.290 -0.000 0.000 0.509 283 P HA -0.030 4.390 4.420 -0.000 0.000 0.223 283 P C 0.872 178.186 177.300 0.023 0.000 1.144 283 P CA 1.529 64.638 63.100 0.016 0.000 0.783 283 P CB 0.265 31.970 31.700 0.009 0.000 0.771 284 A N -0.458 122.392 122.820 0.049 0.000 2.535 284 A HA 0.542 4.862 4.320 0.001 0.000 0.273 284 A C 0.972 178.605 177.584 0.083 0.000 1.267 284 A CA -0.021 52.043 52.037 0.044 0.000 0.940 284 A CB -0.200 18.831 19.000 0.052 0.000 1.101 284 A HN 0.278 8.428 8.150 -0.000 0.000 0.521 285 G N -1.244 107.642 108.800 0.143 0.000 2.453 285 G HA2 0.552 4.513 3.960 0.001 0.000 0.323 285 G HA3 0.552 4.513 3.960 0.001 0.000 0.323 285 G C -1.396 173.601 174.900 0.163 0.000 1.198 285 G CA -0.522 44.748 45.100 0.283 0.000 0.959 285 G HN 0.499 8.789 8.290 -0.000 0.000 0.482 286 V N 0.227 120.252 119.914 0.184 0.000 2.888 286 V HA 0.619 4.739 4.120 0.001 0.000 0.309 286 V C -1.268 174.894 176.094 0.113 0.000 1.114 286 V CA -0.865 61.481 62.300 0.077 0.000 0.940 286 V CB 2.131 33.958 31.823 0.007 0.000 1.021 286 V HN 0.757 8.947 8.190 -0.000 0.000 0.426 287 E N 3.257 123.471 120.200 0.023 0.000 2.191 287 E HA 0.598 4.948 4.350 0.001 0.000 0.278 287 E C 0.599 177.151 176.600 -0.079 0.000 0.972 287 E CA 0.243 56.639 56.400 -0.007 0.000 0.804 287 E CB 2.215 31.881 29.700 -0.056 0.000 1.110 287 E HN 0.810 9.170 8.360 -0.000 0.000 0.394 288 A N 3.206 125.939 122.820 -0.146 0.000 1.898 288 A HA -0.170 4.151 4.320 0.001 0.000 0.216 288 A C 2.009 179.511 177.584 -0.136 0.000 1.181 288 A CA 2.046 53.955 52.037 -0.213 0.000 0.620 288 A CB -0.552 18.023 19.000 -0.709 0.000 0.819 288 A HN 0.658 8.808 8.150 -0.000 0.000 0.442 289 S N -1.038 114.580 115.700 -0.136 0.000 2.423 289 S HA -0.138 4.332 4.470 0.001 0.000 0.231 289 S C 1.703 176.385 174.600 0.136 0.000 1.014 289 S CA 1.202 59.506 58.200 0.173 0.000 0.965 289 S CB -0.262 63.076 63.200 0.230 0.000 0.785 289 S HN 0.525 8.835 8.310 -0.000 0.000 0.495 290 Q N 0.169 119.979 119.800 0.017 0.000 2.389 290 Q HA 0.303 4.644 4.340 0.001 0.000 0.204 290 Q C 1.844 177.796 176.000 -0.080 0.000 0.944 290 Q CA 0.324 56.120 55.803 -0.011 0.000 0.908 290 Q CB -0.424 28.295 28.738 -0.032 0.000 1.002 290 Q HN 0.454 8.724 8.270 -0.000 0.000 0.493 291 L N -0.873 120.239 121.223 -0.185 0.000 2.127 291 L HA -0.036 4.305 4.340 0.001 0.000 0.203 291 L C 0.124 176.628 176.870 -0.609 0.000 1.080 291 L CA 1.299 55.857 54.840 -0.470 0.000 0.768 291 L CB 0.072 41.706 42.059 -0.708 0.000 0.924 291 L HN 0.071 8.301 8.230 -0.000 0.000 0.444 292 Y N -0.988 119.444 120.300 0.220 0.000 2.837 292 Y HA 0.366 4.916 4.550 0.001 0.000 0.356 292 Y C -1.773 174.296 175.900 0.282 0.000 1.035 292 Y CA -2.881 55.383 58.100 0.273 0.000 1.165 292 Y CB 0.000 38.711 38.460 0.418 0.000 1.147 292 Y HN 0.086 8.366 8.280 -0.000 0.000 0.628 293 P HA -0.080 4.340 4.420 -0.000 0.000 0.230 293 P C 0.654 178.050 177.300 0.161 0.000 1.158 293 P CA 1.197 64.411 63.100 0.189 0.000 0.769 293 P CB 0.464 32.230 31.700 0.109 0.000 0.807 294 D N -0.306 120.202 120.400 0.181 0.000 2.117 294 D HA -0.083 4.558 4.640 0.001 0.000 0.197 294 D C 0.670 177.013 176.300 0.072 0.000 0.987 294 D CA 0.892 54.967 54.000 0.125 0.000 0.829 294 D CB -0.814 40.080 40.800 0.156 0.000 0.961 294 D HN 0.070 8.440 8.370 -0.000 0.000 0.460 295 V N 1.575 121.538 119.914 0.083 0.000 2.405 295 V HA 0.037 4.157 4.120 0.001 0.000 0.264 295 V C 0.630 176.727 176.094 0.006 0.000 1.048 295 V CA -0.550 61.709 62.300 -0.068 0.000 0.966 295 V CB 0.952 32.489 31.823 -0.478 0.000 1.015 295 V HN -0.048 8.142 8.190 -0.000 0.000 0.477 296 K N 6.796 127.167 120.400 -0.048 0.000 2.307 296 K HA 0.185 4.505 4.320 0.001 0.000 0.240 296 K C -0.064 176.496 176.600 -0.067 0.000 1.214 296 K CA -0.393 55.835 56.287 -0.099 0.000 1.149 296 K CB -0.562 31.899 32.500 -0.063 0.000 1.668 296 K HN 0.641 8.891 8.250 -0.000 0.000 0.314 297 Y N -0.527 119.821 120.300 0.079 0.000 2.550 297 Y HA 0.181 4.731 4.550 0.001 0.000 0.343 297 Y C 0.222 176.202 175.900 0.133 0.000 1.245 297 Y CA -0.875 57.297 58.100 0.120 0.000 1.462 297 Y CB 0.252 38.882 38.460 0.282 0.000 1.340 297 Y HN 0.088 8.368 8.280 -0.000 0.000 0.604 298 T N 3.308 118.087 114.554 0.375 0.000 2.870 298 T HA 0.200 4.551 4.350 0.001 0.000 0.300 298 T C 0.358 175.326 174.700 0.447 0.000 0.989 298 T CA -0.118 62.171 62.100 0.314 0.000 1.139 298 T CB 0.239 69.286 68.868 0.297 0.000 0.920 298 T HN 0.868 9.108 8.240 -0.000 0.000 0.537 299 T N 0.050 114.810 114.554 0.343 0.000 2.874 299 T HA 0.286 4.637 4.350 0.001 0.000 0.281 299 T C 1.597 176.480 174.700 0.305 0.000 0.994 299 T CA -0.943 61.377 62.100 0.366 0.000 1.015 299 T CB 0.839 69.863 68.868 0.260 0.000 1.028 299 T HN 0.181 8.421 8.240 -0.000 0.000 0.523 300 V N 1.170 121.244 119.914 0.267 0.000 2.407 300 V HA -0.127 3.993 4.120 0.001 0.000 0.248 300 V C 2.531 178.777 176.094 0.253 0.000 1.055 300 V CA 2.405 64.840 62.300 0.225 0.000 1.049 300 V CB -1.002 30.922 31.823 0.170 0.000 0.662 300 V HN 1.073 9.263 8.190 -0.000 0.000 0.455 301 D N -0.070 120.464 120.400 0.222 0.000 2.097 301 D HA -0.181 4.459 4.640 0.001 0.000 0.197 301 D C 2.162 178.584 176.300 0.203 0.000 0.984 301 D CA 1.513 55.635 54.000 0.204 0.000 0.826 301 D CB -0.064 40.830 40.800 0.156 0.000 0.973 301 D HN 0.542 8.912 8.370 -0.000 0.000 0.460 302 E N -1.128 119.186 120.200 0.191 0.000 2.085 302 E HA -0.217 4.133 4.350 0.001 0.000 0.194 302 E C 1.853 178.558 176.600 0.174 0.000 0.994 302 E CA 0.857 57.352 56.400 0.157 0.000 0.801 302 E CB -0.252 29.536 29.700 0.147 0.000 0.743 302 E HN 0.452 8.812 8.360 -0.000 0.000 0.453 303 Y N 0.766 121.158 120.300 0.153 0.000 2.133 303 Y HA -0.201 4.349 4.550 0.001 0.000 0.287 303 Y C 2.059 178.132 175.900 0.288 0.000 1.134 303 Y CA 1.084 59.295 58.100 0.185 0.000 1.133 303 Y CB -0.079 38.498 38.460 0.194 0.000 0.987 303 Y HN -0.007 8.273 8.280 -0.000 0.000 0.502 304 L N -0.331 121.175 121.223 0.471 0.000 2.275 304 L HA -0.159 4.182 4.340 0.001 0.000 0.215 304 L C 2.407 179.583 176.870 0.511 0.000 1.119 304 L CA 1.533 56.709 54.840 0.560 0.000 0.790 304 L CB -0.980 41.345 42.059 0.444 0.000 0.919 304 L HN 0.142 8.372 8.230 -0.000 0.000 0.443 305 S N -0.348 115.510 115.700 0.264 0.000 2.419 305 S HA -0.180 4.291 4.470 0.001 0.000 0.235 305 S C 1.524 176.146 174.600 0.036 0.000 1.019 305 S CA 1.372 59.658 58.200 0.143 0.000 0.982 305 S CB -0.601 62.643 63.200 0.074 0.000 0.789 305 S HN 0.633 8.943 8.310 -0.000 0.000 0.490 306 N N -0.168 118.448 118.700 -0.141 0.000 2.571 306 N HA 0.068 4.808 4.740 0.001 0.000 0.189 306 N C 0.487 175.675 175.510 -0.536 0.000 1.154 306 N CA 0.560 53.367 53.050 -0.404 0.000 0.907 306 N CB -0.019 38.070 38.487 -0.662 0.000 0.977 306 N HN 0.393 8.773 8.380 -0.000 0.000 0.449 307 F N -0.178 119.825 119.950 0.089 0.000 2.704 307 F HA 0.207 4.734 4.527 0.001 0.000 0.304 307 F C 1.009 176.977 175.800 0.281 0.000 1.094 307 F CA -0.486 57.622 58.000 0.179 0.000 1.275 307 F CB 0.191 39.314 39.000 0.206 0.000 1.073 307 F HN -0.213 8.087 8.300 -0.000 0.000 0.586 308 V N 0.000 120.101 119.914 0.312 0.000 2.409 308 V HA 0.000 4.120 4.120 0.001 0.000 0.244 308 V CA 0.000 62.371 62.300 0.118 0.000 1.235 308 V CB 0.000 31.835 31.823 0.019 0.000 1.184 308 V HN 0.000 8.190 8.190 -0.000 0.000 0.556