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 1yyc_1_A DATA FIRST_RESID 1 DATA SEQUENCE GHHHHHHLEA SADEKVVEEK ASVISSLLDK AKGFFAEKLA NIPTPEATVD DATA SEQUENCE DVDFKGVTRD GVDYHAKVSV KNPYSQSIPI CQISYILKSA TRTIASGTIP DATA SEQUENCE DPGSLVGSGT TVLDVPVKVA YSIAVSLMKD MCTDWDIDYQ LDIGLTFDIP DATA SEQUENCE VVGDITIPVS TQGEIKLPSL RDFF 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 4.052 3.960 0.153 0.000 0.244 1 G C 0.000 175.028 174.900 0.213 0.000 0.946 1 G CA 0.000 45.204 45.100 0.173 0.000 0.502 2 H N 1.723 120.813 119.070 0.034 0.000 2.654 2 H HA 0.165 4.547 4.556 -0.291 0.000 0.264 2 H C 0.315 175.532 175.328 -0.184 0.000 0.954 2 H CA 0.020 55.975 56.048 -0.155 0.000 1.199 2 H CB 0.860 30.536 29.762 -0.143 0.000 1.446 2 H HN 0.276 8.707 8.280 0.251 0.000 0.516 3 H N 1.957 121.000 119.070 -0.045 0.000 2.998 3 H HA 0.081 4.651 4.556 0.022 0.000 0.241 3 H C -0.914 174.451 175.328 0.061 0.000 1.852 3 H CA -0.212 55.839 56.048 0.004 0.000 1.419 3 H CB -2.217 27.564 29.762 0.030 0.000 1.793 3 H HN 0.216 8.680 8.280 0.305 0.000 0.553 4 H N -0.597 118.476 119.070 0.006 0.000 3.064 4 H HA 0.174 4.755 4.556 0.041 0.000 0.352 4 H C -1.168 174.033 175.328 -0.211 0.000 1.260 4 H CA -0.579 55.450 56.048 -0.033 0.000 1.160 4 H CB 1.967 31.722 29.762 -0.011 0.000 1.879 4 H HN 0.242 8.212 8.280 -0.419 0.059 0.544 5 H N 1.275 120.322 119.070 -0.039 0.000 2.765 5 H HA -0.276 4.288 4.556 0.014 0.000 0.332 5 H C -2.211 172.868 175.328 -0.416 0.000 1.180 5 H CA 0.849 56.813 56.048 -0.139 0.000 1.142 5 H CB -0.699 29.017 29.762 -0.076 0.000 1.576 5 H HN 0.393 8.798 8.280 0.208 0.000 0.420 6 H N 1.107 120.100 119.070 -0.127 0.000 3.096 6 H HA 0.097 4.436 4.556 -0.363 0.000 0.335 6 H C -1.688 173.595 175.328 -0.074 0.000 0.990 6 H CA -0.515 55.409 56.048 -0.205 0.000 1.393 6 H CB 1.559 31.223 29.762 -0.162 0.000 1.742 6 H HN -0.082 8.204 8.280 0.009 0.000 0.501 7 H N 1.919 120.967 119.070 -0.038 0.000 2.716 7 H HA 0.357 4.915 4.556 0.004 0.000 0.260 7 H C -1.591 173.725 175.328 -0.020 0.000 1.280 7 H CA -1.257 54.776 56.048 -0.024 0.000 1.506 7 H CB -0.056 29.685 29.762 -0.036 0.000 1.514 7 H HN 0.216 8.248 8.280 -0.414 0.000 0.502 8 L N 4.718 125.961 121.223 0.034 0.000 2.492 8 L HA 0.197 4.554 4.340 0.029 0.000 0.258 8 L C -1.106 175.780 176.870 0.028 0.000 1.028 8 L CA 0.357 55.203 54.840 0.010 0.000 0.900 8 L CB 0.676 42.711 42.059 -0.039 0.000 1.191 8 L HN -0.212 8.047 8.230 0.048 0.000 0.459 9 E N 2.453 122.680 120.200 0.046 0.000 2.360 9 E HA -0.472 3.903 4.350 0.041 0.000 0.238 9 E C 0.220 176.845 176.600 0.042 0.000 1.186 9 E CA 0.571 56.993 56.400 0.038 0.000 0.719 9 E CB -1.157 28.557 29.700 0.023 0.000 1.236 9 E HN 0.536 8.932 8.360 0.061 0.000 0.386 10 A N -4.758 118.100 122.820 0.062 0.000 1.282 10 A HA -0.423 3.951 4.320 0.090 0.000 0.224 10 A C -1.055 176.567 177.584 0.063 0.000 0.457 10 A CA 1.855 53.933 52.037 0.068 0.000 1.095 10 A CB -0.624 18.407 19.000 0.052 0.000 1.470 10 A HN 0.517 8.712 8.150 0.081 0.004 0.723 11 S N -2.027 113.697 115.700 0.040 0.000 2.626 11 S HA 0.297 4.768 4.470 0.002 0.000 0.275 11 S C -0.547 174.058 174.600 0.009 0.000 1.175 11 S CA -0.931 57.281 58.200 0.020 0.000 0.982 11 S CB 2.126 65.347 63.200 0.035 0.000 1.093 11 S HN -0.482 7.798 8.310 0.036 0.052 0.472 12 A N 5.413 128.227 122.820 -0.009 0.000 1.908 12 A HA -0.355 3.966 4.320 0.001 0.000 0.218 12 A C 1.236 178.823 177.584 0.005 0.000 1.181 12 A CA 3.617 55.651 52.037 -0.006 0.000 0.627 12 A CB 0.161 19.149 19.000 -0.019 0.000 0.818 12 A HN 0.328 8.461 8.150 -0.027 0.000 0.445 13 D N -1.141 119.262 120.400 0.005 0.000 2.097 13 D HA -0.381 4.275 4.640 0.026 0.000 0.195 13 D C 1.959 178.279 176.300 0.033 0.000 0.989 13 D CA 4.620 58.633 54.000 0.022 0.000 0.827 13 D CB -0.737 40.075 40.800 0.020 0.000 0.966 13 D HN 0.094 8.459 8.370 -0.008 0.000 0.456 14 E N -0.867 119.350 120.200 0.029 0.000 2.085 14 E HA -0.400 3.974 4.350 0.040 0.000 0.194 14 E C 1.716 178.336 176.600 0.032 0.000 0.994 14 E CA 2.781 59.202 56.400 0.034 0.000 0.801 14 E CB -0.308 29.411 29.700 0.032 0.000 0.743 14 E HN 0.072 8.446 8.360 0.023 0.000 0.453 15 K N -0.754 119.662 120.400 0.027 0.000 2.007 15 K HA -0.177 4.157 4.320 0.023 0.000 0.206 15 K C 2.276 178.890 176.600 0.022 0.000 1.047 15 K CA 2.679 58.979 56.287 0.023 0.000 0.937 15 K CB 0.057 32.568 32.500 0.019 0.000 0.718 15 K HN -0.131 8.121 8.250 0.024 0.013 0.438 16 V N -2.237 117.690 119.914 0.022 0.000 2.594 16 V HA -0.297 3.834 4.120 0.018 0.000 0.253 16 V C 2.078 178.190 176.094 0.029 0.000 1.069 16 V CA 3.544 65.857 62.300 0.022 0.000 1.082 16 V CB -1.071 30.764 31.823 0.019 0.000 0.680 16 V HN 0.246 8.338 8.190 0.021 0.111 0.469 17 V N 0.999 120.937 119.914 0.039 0.000 2.343 17 V HA -0.374 3.776 4.120 0.051 0.000 0.247 17 V C 2.264 178.380 176.094 0.036 0.000 1.051 17 V CA 4.632 66.961 62.300 0.048 0.000 1.036 17 V CB -1.081 30.782 31.823 0.067 0.000 0.654 17 V HN -0.006 8.190 8.190 0.041 0.019 0.451 18 E N 0.092 120.310 120.200 0.030 0.000 2.106 18 E HA -0.456 3.907 4.350 0.022 0.000 0.192 18 E C 2.037 178.647 176.600 0.017 0.000 0.984 18 E CA 3.388 59.801 56.400 0.022 0.000 0.806 18 E CB -0.289 29.423 29.700 0.020 0.000 0.750 18 E HN -0.509 7.771 8.360 0.031 0.098 0.458 19 E N -1.138 119.072 120.200 0.017 0.000 2.049 19 E HA -0.357 3.999 4.350 0.010 0.000 0.198 19 E C 2.667 179.274 176.600 0.011 0.000 1.007 19 E CA 3.010 59.418 56.400 0.012 0.000 0.809 19 E CB -0.498 29.209 29.700 0.012 0.000 0.749 19 E HN -0.484 7.798 8.360 0.019 0.089 0.450 20 K N -1.057 119.352 120.400 0.016 0.000 2.025 20 K HA -0.248 4.078 4.320 0.010 0.000 0.207 20 K C 2.417 179.026 176.600 0.014 0.000 1.049 20 K CA 2.812 59.108 56.287 0.015 0.000 0.933 20 K CB -0.134 32.380 32.500 0.022 0.000 0.714 20 K HN -0.532 7.730 8.250 0.019 0.000 0.438 21 A N -0.427 122.404 122.820 0.018 0.000 1.908 21 A HA -0.405 3.925 4.320 0.016 0.000 0.218 21 A C 1.604 179.192 177.584 0.006 0.000 1.181 21 A CA 3.259 55.305 52.037 0.014 0.000 0.627 21 A CB -0.889 18.121 19.000 0.016 0.000 0.818 21 A HN 0.399 8.457 8.150 0.023 0.106 0.445 22 S N -1.837 113.867 115.700 0.006 0.000 2.359 22 S HA -0.327 4.143 4.470 0.001 0.000 0.224 22 S C 2.150 176.749 174.600 -0.002 0.000 1.035 22 S CA 3.862 62.063 58.200 0.002 0.000 1.018 22 S CB -0.057 63.145 63.200 0.003 0.000 0.876 22 S HN -0.033 8.282 8.310 0.009 0.000 0.448 23 V N 1.113 121.027 119.914 -0.001 0.000 2.379 23 V HA -0.329 3.786 4.120 -0.008 0.000 0.245 23 V C 2.025 178.114 176.094 -0.009 0.000 1.044 23 V CA 3.144 65.441 62.300 -0.006 0.000 1.036 23 V CB -0.434 31.386 31.823 -0.005 0.000 0.664 23 V HN -0.832 7.359 8.190 0.002 0.000 0.453 24 I N 0.592 121.159 120.570 -0.004 0.000 2.163 24 I HA -0.634 3.530 4.170 -0.009 0.000 0.243 24 I C 2.229 178.340 176.117 -0.010 0.000 1.085 24 I CA 4.636 65.933 61.300 -0.005 0.000 1.347 24 I CB -0.502 37.501 38.000 0.004 0.000 1.044 24 I HN 0.295 8.505 8.210 0.000 0.000 0.408 25 S N -0.014 115.681 115.700 -0.008 0.000 2.399 25 S HA -0.304 4.161 4.470 -0.008 0.000 0.231 25 S C 2.594 177.185 174.600 -0.016 0.000 1.022 25 S CA 4.023 62.217 58.200 -0.010 0.000 0.983 25 S CB -0.616 62.580 63.200 -0.007 0.000 0.803 25 S HN 0.544 8.741 8.310 -0.004 0.110 0.480 26 S N 2.773 118.462 115.700 -0.018 0.000 2.368 26 S HA -0.220 4.236 4.470 -0.023 0.000 0.224 26 S C 1.796 176.373 174.600 -0.038 0.000 1.029 26 S CA 3.329 61.514 58.200 -0.024 0.000 0.988 26 S CB -0.476 62.712 63.200 -0.019 0.000 0.838 26 S HN -0.541 7.639 8.310 -0.014 0.121 0.462 27 L N 1.781 122.981 121.223 -0.039 0.000 2.156 27 L HA -0.195 4.106 4.340 -0.066 0.000 0.208 27 L C 1.409 178.236 176.870 -0.071 0.000 1.095 27 L CA 2.831 57.638 54.840 -0.056 0.000 0.770 27 L CB -0.145 41.886 42.059 -0.047 0.000 0.914 27 L HN -0.590 7.623 8.230 -0.029 0.000 0.439 28 L N -1.629 119.567 121.223 -0.045 0.000 2.093 28 L HA -0.354 3.969 4.340 -0.027 0.000 0.208 28 L C 2.313 179.142 176.870 -0.068 0.000 1.085 28 L CA 2.688 57.508 54.840 -0.033 0.000 0.755 28 L CB -0.485 41.575 42.059 0.002 0.000 0.904 28 L HN 0.043 8.181 8.230 -0.032 0.073 0.435 29 D N -1.127 119.238 120.400 -0.059 0.000 2.178 29 D HA -0.298 4.310 4.640 -0.054 0.000 0.202 29 D C 1.663 177.901 176.300 -0.104 0.000 0.974 29 D CA 3.737 57.699 54.000 -0.064 0.000 0.841 29 D CB 0.164 40.943 40.800 -0.037 0.000 0.953 29 D HN 0.038 8.185 8.370 -0.044 0.196 0.478 30 K N -1.439 118.893 120.400 -0.115 0.000 2.147 30 K HA -0.288 3.982 4.320 -0.083 0.000 0.205 30 K C 1.962 178.430 176.600 -0.221 0.000 1.049 30 K CA 2.585 58.797 56.287 -0.126 0.000 0.936 30 K CB -1.328 31.108 32.500 -0.108 0.000 0.722 30 K HN -0.356 7.748 8.250 -0.098 0.087 0.446 31 A N -1.216 121.385 122.820 -0.365 0.000 1.970 31 A HA -0.209 3.672 4.320 -0.732 0.000 0.216 31 A C 1.300 178.191 177.584 -1.155 0.000 1.170 31 A CA 2.363 53.949 52.037 -0.752 0.000 0.645 31 A CB -0.867 17.749 19.000 -0.640 0.000 0.816 31 A HN 0.027 7.893 8.150 -0.275 0.119 0.447 32 K N -0.259 119.778 120.400 -0.605 0.000 2.020 32 K HA -0.362 3.816 4.320 -0.236 0.000 0.212 32 K C 2.347 178.847 176.600 -0.167 0.000 1.050 32 K CA 3.405 59.510 56.287 -0.304 0.000 0.929 32 K CB -0.230 32.232 32.500 -0.063 0.000 0.714 32 K HN -0.287 7.641 8.250 -0.367 0.101 0.443 33 G N -3.797 104.938 108.800 -0.108 0.000 2.484 33 G HA2 -0.173 3.791 3.960 0.006 0.000 0.218 33 G HA3 -0.173 3.780 3.960 -0.013 0.000 0.218 33 G C 0.822 175.730 174.900 0.013 0.000 1.130 33 G CA 1.393 46.481 45.100 -0.020 0.000 0.784 33 G HN -0.630 7.586 8.290 -0.123 0.000 0.543 34 F N 3.183 122.998 119.950 -0.225 0.000 2.146 34 F HA -0.247 4.232 4.527 -0.080 0.000 0.298 34 F C 0.816 176.599 175.800 -0.028 0.000 1.096 34 F CA 2.375 60.278 58.000 -0.162 0.000 1.275 34 F CB 0.414 39.267 39.000 -0.245 0.000 1.008 34 F HN -0.842 7.292 8.300 -0.053 0.134 0.480 35 F N -1.500 118.633 119.950 0.305 0.000 2.102 35 F HA -0.453 4.216 4.527 0.237 0.000 0.298 35 F C 2.727 178.563 175.800 0.060 0.000 1.105 35 F CA 1.864 59.977 58.000 0.189 0.000 1.239 35 F CB -1.711 37.385 39.000 0.160 0.000 0.991 35 F HN 0.063 8.229 8.300 -0.224 0.000 0.474 36 A N -1.899 121.057 122.820 0.227 0.000 1.892 36 A HA -0.294 4.105 4.320 0.132 0.000 0.218 36 A C 1.145 178.760 177.584 0.052 0.000 1.188 36 A CA 2.887 54.995 52.037 0.118 0.000 0.631 36 A CB -0.645 18.402 19.000 0.079 0.000 0.822 36 A HN -0.526 7.752 8.150 0.215 0.000 0.447 37 E N -4.195 116.006 120.200 0.001 0.000 2.244 37 E HA -0.113 4.226 4.350 -0.018 0.000 0.196 37 E C 1.397 177.942 176.600 -0.092 0.000 0.939 37 E CA 0.802 57.177 56.400 -0.041 0.000 0.884 37 E CB 0.666 30.334 29.700 -0.054 0.000 0.850 37 E HN -0.523 7.834 8.360 -0.006 0.000 0.481 38 K N -1.115 119.171 120.400 -0.190 0.000 2.128 38 K HA -0.042 4.150 4.320 -0.213 0.000 0.202 38 K C 1.258 177.767 176.600 -0.151 0.000 1.050 38 K CA 2.056 58.165 56.287 -0.297 0.000 0.966 38 K CB 1.096 33.141 32.500 -0.758 0.000 0.759 38 K HN -0.158 7.971 8.250 -0.202 0.000 0.454 39 L N -2.328 118.878 121.223 -0.028 0.000 2.645 39 L HA 0.060 4.568 4.340 0.063 -0.129 0.234 39 L C -0.100 176.809 176.870 0.065 0.000 1.165 39 L CA 0.134 55.032 54.840 0.097 0.000 0.944 39 L CB -0.512 41.713 42.059 0.277 0.000 1.149 39 L HN -0.658 7.476 8.230 -0.004 0.093 0.446 40 A N -2.559 120.278 122.820 0.029 0.000 2.229 40 A HA 0.081 4.418 4.320 0.027 0.000 0.211 40 A C 0.045 177.633 177.584 0.007 0.000 1.193 40 A CA 0.860 52.910 52.037 0.021 0.000 0.879 40 A CB 0.649 19.661 19.000 0.020 0.000 0.911 40 A HN -0.299 7.723 8.150 0.002 0.130 0.492 41 N N -2.413 116.283 118.700 -0.006 0.000 2.348 41 N HA 0.040 4.778 4.740 -0.003 0.000 0.183 41 N C -0.653 174.859 175.510 0.002 0.000 1.094 41 N CA 0.627 53.672 53.050 -0.009 0.000 0.885 41 N CB 2.244 40.716 38.487 -0.025 0.000 1.065 41 N HN -0.481 7.733 8.380 -0.017 0.156 0.472 42 I N 1.537 122.112 120.570 0.008 0.000 2.359 42 I HA 0.442 4.632 4.170 0.034 0.000 0.284 42 I C -2.341 173.813 176.117 0.061 0.000 1.018 42 I CA -4.553 56.766 61.300 0.032 0.000 1.173 42 I CB -0.311 37.704 38.000 0.025 0.000 1.326 42 I HN -0.282 8.000 8.210 0.001 -0.071 0.462 43 P HA 0.138 4.598 4.420 0.068 0.000 0.265 43 P C -0.738 176.657 177.300 0.158 0.000 1.222 43 P CA -0.025 63.142 63.100 0.112 0.000 0.767 43 P CB -0.318 31.459 31.700 0.128 0.000 0.801 44 T N 2.118 116.726 114.554 0.090 0.000 2.907 44 T HA 0.439 4.790 4.350 0.003 0.000 0.292 44 T C -1.837 172.834 174.700 -0.048 0.000 1.043 44 T CA -3.904 58.204 62.100 0.013 0.000 1.003 44 T CB 1.638 70.513 68.868 0.011 0.000 1.084 44 T HN -0.307 7.969 8.240 0.060 0.000 0.483 45 P HA -0.041 4.323 4.420 -0.092 0.000 0.269 45 P C -1.787 175.439 177.300 -0.122 0.000 1.209 45 P CA -0.160 62.793 63.100 -0.245 0.000 0.776 45 P CB 1.024 32.382 31.700 -0.570 0.000 0.876 46 E N 1.601 121.799 120.200 -0.004 0.000 2.183 46 E HA 0.269 4.665 4.350 0.076 0.000 0.271 46 E C -1.944 174.731 176.600 0.124 0.000 0.919 46 E CA -1.217 55.217 56.400 0.058 0.000 0.781 46 E CB 3.000 32.703 29.700 0.006 0.000 1.140 46 E HN -0.124 8.228 8.360 -0.014 0.000 0.402 47 A N 4.858 127.762 122.820 0.140 0.000 2.346 47 A HA 1.029 5.586 4.320 0.115 -0.169 0.313 47 A C -1.372 176.233 177.584 0.036 0.000 1.140 47 A CA -1.756 50.345 52.037 0.106 0.000 0.826 47 A CB 2.970 22.026 19.000 0.095 0.000 1.332 47 A HN 0.389 8.611 8.150 0.120 0.000 0.457 48 T N -0.121 114.446 114.554 0.021 0.000 2.957 48 T HA 0.164 4.511 4.350 -0.006 0.000 0.336 48 T C -1.832 172.867 174.700 -0.002 0.000 1.462 48 T CA -0.813 61.289 62.100 0.003 0.000 1.073 48 T CB 2.208 71.079 68.868 0.005 0.000 1.319 48 T HN 0.389 8.646 8.240 0.027 0.000 0.485 49 V N 6.008 125.916 119.914 -0.010 0.000 2.567 49 V HA 0.203 4.470 4.120 -0.009 -0.152 0.289 49 V C -1.240 174.857 176.094 0.004 0.000 1.049 49 V CA -0.598 61.696 62.300 -0.009 0.000 0.969 49 V CB 0.397 32.207 31.823 -0.022 0.000 0.995 49 V HN 0.561 8.742 8.190 -0.015 0.000 0.471 50 D N 2.964 123.372 120.400 0.014 0.000 3.194 50 D HA 0.136 4.787 4.640 0.018 0.000 0.290 50 D C -0.504 175.820 176.300 0.040 0.000 1.280 50 D CA 1.590 55.603 54.000 0.022 0.000 1.058 50 D CB 2.869 43.680 40.800 0.019 0.000 1.241 50 D HN 0.682 9.058 8.370 0.011 0.000 0.421 51 D N -2.939 117.490 120.400 0.048 0.000 2.671 51 D HA 0.182 4.873 4.640 0.085 0.000 0.273 51 D C -2.505 173.840 176.300 0.075 0.000 1.264 51 D CA -0.248 53.791 54.000 0.065 0.000 0.788 51 D CB 2.658 43.484 40.800 0.044 0.000 1.324 51 D HN -0.722 7.670 8.370 0.037 0.000 0.424 52 V N -2.749 117.216 119.914 0.084 0.000 2.604 52 V HA 0.695 5.040 4.120 0.095 -0.168 0.305 52 V C -1.533 174.553 176.094 -0.013 0.000 1.043 52 V CA -3.018 59.338 62.300 0.093 0.000 0.888 52 V CB 3.231 35.170 31.823 0.193 0.000 0.995 52 V HN 0.144 8.379 8.190 0.075 0.000 0.429 53 D N 5.498 125.873 120.400 -0.042 0.000 2.232 53 D HA 0.219 4.795 4.640 -0.107 0.000 0.242 53 D C -0.891 175.083 176.300 -0.543 0.000 1.093 53 D CA -0.856 53.060 54.000 -0.141 0.000 0.845 53 D CB 1.833 42.642 40.800 0.016 0.000 1.124 53 D HN 0.657 8.938 8.370 0.066 0.129 0.467 54 F N 6.898 126.399 119.950 -0.748 0.000 2.519 54 F HA -0.191 3.243 4.527 -1.821 0.000 0.381 54 F C -1.021 174.571 175.800 -0.346 0.000 1.076 54 F CA 1.842 59.340 58.000 -0.836 0.000 1.095 54 F CB 0.481 39.252 39.000 -0.382 0.000 1.046 54 F HN 0.485 8.653 8.300 -0.219 0.000 0.559 55 K N 8.103 128.230 120.400 -0.454 0.000 2.494 55 K HA 0.396 4.655 4.320 -0.101 0.000 0.201 55 K C -1.036 175.512 176.600 -0.087 0.000 1.338 55 K CA -0.243 55.948 56.287 -0.159 0.000 0.935 55 K CB 2.772 35.240 32.500 -0.053 0.000 1.514 55 K HN 0.206 8.140 8.250 -0.527 0.000 0.490 56 G N -1.294 107.538 108.800 0.054 0.000 2.619 56 G HA2 0.217 4.304 3.960 0.212 0.000 0.305 56 G HA3 0.217 4.221 3.960 0.073 0.000 0.305 56 G C -3.209 171.705 174.900 0.023 0.000 1.330 56 G CA 0.474 45.651 45.100 0.129 0.000 0.789 56 G HN -0.382 8.002 8.290 0.157 0.000 0.487 57 V N -1.136 118.739 119.914 -0.065 0.000 3.001 57 V HA 0.311 4.170 4.120 -0.535 -0.060 0.314 57 V C -1.796 174.225 176.094 -0.121 0.000 1.099 57 V CA -1.835 60.279 62.300 -0.310 0.000 0.989 57 V CB 3.750 35.350 31.823 -0.372 0.000 1.040 57 V HN 0.167 8.380 8.190 0.038 0.000 0.434 58 T N 5.782 120.267 114.554 -0.115 0.000 2.893 58 T HA 0.301 4.641 4.350 -0.017 0.000 0.291 58 T C -0.883 173.810 174.700 -0.011 0.000 1.028 58 T CA -1.200 60.884 62.100 -0.027 0.000 0.995 58 T CB 2.605 71.482 68.868 0.014 0.000 1.051 58 T HN 0.203 8.337 8.240 -0.177 0.000 0.470 59 R N 3.862 124.367 120.500 0.007 0.000 3.247 59 R HA -0.053 4.276 4.340 -0.019 0.000 0.212 59 R C -0.896 175.410 176.300 0.009 0.000 1.604 59 R CA 0.536 56.635 56.100 -0.002 0.000 1.279 59 R CB -2.284 28.013 30.300 -0.005 0.000 1.277 59 R HN 0.666 8.943 8.270 0.013 0.000 0.669 60 D N -1.184 119.219 120.400 0.005 0.000 1.104 60 D HA -0.089 4.494 4.640 -0.094 0.000 0.867 60 D C -1.062 175.227 176.300 -0.019 0.000 0.379 60 D CA 0.579 54.555 54.000 -0.040 0.000 1.365 60 D CB 1.422 42.213 40.800 -0.015 0.000 1.172 60 D HN 0.356 8.675 8.370 -0.000 0.051 0.391 61 G N -2.085 106.828 108.800 0.189 0.000 2.687 61 G HA2 0.515 4.678 3.960 0.339 0.000 0.291 61 G HA3 0.515 4.761 3.960 0.477 0.000 0.291 61 G C -2.080 172.860 174.900 0.066 0.000 1.420 61 G CA -0.707 44.561 45.100 0.280 0.000 0.796 61 G HN -0.870 7.553 8.290 0.220 0.000 0.485 62 V N -4.699 115.157 119.914 -0.097 0.000 2.904 62 V HA 0.304 4.138 4.120 -0.476 0.000 0.305 62 V C -2.106 173.836 176.094 -0.252 0.000 1.067 62 V CA -2.348 59.715 62.300 -0.395 0.000 1.044 62 V CB 1.352 32.765 31.823 -0.683 0.000 1.050 62 V HN 0.193 8.356 8.190 -0.044 0.000 0.475 63 D N 3.441 123.756 120.400 -0.141 0.000 2.441 63 D HA 0.344 5.107 4.640 -0.011 -0.129 0.231 63 D C -1.409 175.057 176.300 0.278 0.000 1.073 63 D CA -1.246 52.768 54.000 0.023 0.000 0.850 63 D CB 1.616 42.423 40.800 0.012 0.000 1.062 63 D HN 0.202 8.340 8.370 -0.193 0.116 0.524 64 Y N 4.118 124.413 120.300 -0.009 0.000 2.528 64 Y HA 0.477 5.142 4.550 0.035 -0.094 0.335 64 Y C -0.870 175.092 175.900 0.103 0.000 1.093 64 Y CA -3.243 54.877 58.100 0.033 0.000 1.134 64 Y CB 3.713 42.170 38.460 -0.004 0.000 1.253 64 Y HN 0.972 9.358 8.280 0.176 0.000 0.478 65 H N 3.418 122.566 119.070 0.131 0.000 2.623 65 H HA 0.354 4.965 4.556 0.091 0.000 0.299 65 H C -1.957 173.420 175.328 0.081 0.000 1.052 65 H CA -1.621 54.474 56.048 0.079 0.000 1.231 65 H CB 1.221 30.999 29.762 0.027 0.000 1.389 65 H HN -0.087 8.328 8.280 0.226 0.000 0.469 66 A N 8.226 131.008 122.820 -0.064 0.000 2.306 66 A HA 0.821 5.339 4.320 0.015 -0.189 0.314 66 A C -1.607 175.874 177.584 -0.171 0.000 1.164 66 A CA -1.904 50.106 52.037 -0.045 0.000 0.822 66 A CB 2.326 21.359 19.000 0.054 0.000 1.130 66 A HN 0.305 8.439 8.150 -0.026 0.000 0.496 67 K N 1.646 121.995 120.400 -0.086 0.000 2.172 67 K HA 0.560 4.938 4.320 -0.133 -0.137 0.276 67 K C -1.065 175.513 176.600 -0.035 0.000 1.013 67 K CA -0.796 55.446 56.287 -0.074 0.000 0.913 67 K CB 1.843 34.331 32.500 -0.019 0.000 1.055 67 K HN 0.735 8.971 8.250 -0.022 0.000 0.461 68 V N 5.547 125.440 119.914 -0.034 0.000 2.419 68 V HA 0.613 4.912 4.120 -0.011 -0.185 0.287 68 V C -1.184 174.911 176.094 0.002 0.000 1.017 68 V CA -1.603 60.688 62.300 -0.015 0.000 0.844 68 V CB 1.100 32.910 31.823 -0.022 0.000 1.011 68 V HN 0.981 9.142 8.190 -0.049 0.000 0.429 69 S N 8.343 124.051 115.700 0.014 0.000 2.462 69 S HA 0.564 5.214 4.470 0.030 -0.162 0.294 69 S C -1.453 173.176 174.600 0.050 0.000 1.144 69 S CA -0.119 58.098 58.200 0.029 0.000 1.088 69 S CB 1.582 64.796 63.200 0.024 0.000 1.009 69 S HN 0.956 9.272 8.310 0.010 0.000 0.484 70 V N 4.556 124.513 119.914 0.071 0.000 2.540 70 V HA 0.585 4.943 4.120 0.120 -0.166 0.302 70 V C -1.517 174.628 176.094 0.085 0.000 1.035 70 V CA -1.670 60.699 62.300 0.116 0.000 0.873 70 V CB 2.348 34.293 31.823 0.202 0.000 0.992 70 V HN 0.999 9.227 8.190 0.063 0.000 0.428 71 K N 4.851 125.291 120.400 0.067 0.000 2.323 71 K HA 0.687 5.211 4.320 0.036 -0.183 0.259 71 K C -1.948 174.661 176.600 0.015 0.000 0.947 71 K CA -2.105 54.202 56.287 0.033 0.000 0.819 71 K CB 2.262 34.770 32.500 0.015 0.000 1.109 71 K HN 0.893 9.188 8.250 0.076 0.000 0.429 72 N N 2.945 121.652 118.700 0.011 0.000 2.533 72 N HA 0.365 5.101 4.740 -0.007 0.000 0.289 72 N C -3.013 172.495 175.510 -0.003 0.000 1.103 72 N CA -2.209 50.846 53.050 0.009 0.000 0.877 72 N CB 3.551 42.049 38.487 0.019 0.000 1.419 72 N HN 0.499 8.889 8.380 0.018 0.000 0.517 73 P HA 0.358 4.716 4.420 -0.103 0.000 0.273 73 P C -2.007 175.055 177.300 -0.397 0.000 1.531 73 P CA -0.384 62.603 63.100 -0.189 0.000 1.027 73 P CB -0.957 30.602 31.700 -0.235 0.000 1.387 74 Y N 2.135 122.410 120.300 -0.042 0.000 2.318 74 Y HA -0.101 4.430 4.550 -0.031 0.000 0.317 74 Y C -1.363 174.520 175.900 -0.027 0.000 1.290 74 Y CA -0.238 57.839 58.100 -0.038 0.000 1.177 74 Y CB 3.328 41.755 38.460 -0.054 0.000 1.307 74 Y HN -0.636 7.655 8.280 0.019 0.000 0.428 75 S N 5.501 121.281 115.700 0.134 0.000 4.183 75 S HA 0.074 4.582 4.470 0.063 0.000 0.195 75 S C -0.935 173.708 174.600 0.071 0.000 1.421 75 S CA 0.546 58.791 58.200 0.076 0.000 0.920 75 S CB -1.523 61.705 63.200 0.046 0.000 1.525 75 S HN 0.388 8.781 8.310 0.137 0.000 0.447 76 Q N 1.767 121.611 119.800 0.073 0.000 2.391 76 Q HA 0.376 4.737 4.340 0.035 0.000 0.279 76 Q C -1.952 174.071 176.000 0.040 0.000 1.028 76 Q CA -1.656 54.173 55.803 0.043 0.000 0.836 76 Q CB 3.348 32.097 28.738 0.019 0.000 1.414 76 Q HN -0.006 8.257 8.270 0.094 0.063 0.397 77 S N 1.753 117.473 115.700 0.033 0.000 2.411 77 S HA 0.203 4.907 4.470 0.049 -0.204 0.304 77 S C 0.029 174.655 174.600 0.044 0.000 1.098 77 S CA -0.497 57.727 58.200 0.041 0.000 1.068 77 S CB 0.132 63.353 63.200 0.035 0.000 1.032 77 S HN 0.237 8.564 8.310 0.028 0.000 0.511 78 I N 5.142 125.750 120.570 0.063 0.000 2.312 78 I HA 0.272 4.480 4.170 0.064 0.000 0.291 78 I C -1.610 174.586 176.117 0.132 0.000 1.031 78 I CA -2.780 58.576 61.300 0.092 0.000 1.293 78 I CB 0.578 38.641 38.000 0.106 0.000 1.403 78 I HN -0.307 7.944 8.210 0.068 0.000 0.484 79 P HA 0.175 4.636 4.420 0.068 0.000 0.282 79 P C -1.087 176.254 177.300 0.068 0.000 1.249 79 P CA -1.317 61.826 63.100 0.072 0.000 0.806 79 P CB 0.621 32.346 31.700 0.041 0.000 0.984 80 I N 3.523 124.103 120.570 0.015 0.000 2.260 80 I HA 0.069 4.316 4.170 -0.089 -0.131 0.297 80 I C -0.285 175.799 176.117 -0.054 0.000 1.143 80 I CA -0.963 60.295 61.300 -0.069 0.000 1.271 80 I CB -1.413 36.499 38.000 -0.147 0.000 1.461 80 I HN -0.182 8.038 8.210 0.016 0.000 0.530 81 C N 8.528 127.807 119.300 -0.034 0.000 2.520 81 C HA -0.051 4.396 4.460 -0.021 0.000 0.369 81 C C -1.454 173.508 174.990 -0.046 0.000 1.244 81 C CA 0.760 59.762 59.018 -0.026 0.000 1.677 81 C CB -0.318 27.418 27.740 -0.006 0.000 2.324 81 C HN -0.233 7.988 8.230 -0.016 0.000 0.557 82 Q N 3.348 123.121 119.800 -0.045 0.000 2.476 82 Q HA -0.458 3.966 4.340 -0.038 -0.107 0.256 82 Q C -2.102 173.860 176.000 -0.064 0.000 1.269 82 Q CA 0.505 56.280 55.803 -0.046 0.000 0.627 82 Q CB -0.048 28.666 28.738 -0.040 0.000 0.751 82 Q HN 0.251 8.498 8.270 -0.038 0.000 0.317 83 I N 7.266 127.806 120.570 -0.050 0.000 2.406 83 I HA 0.361 4.484 4.170 -0.079 0.000 0.290 83 I C -2.514 173.602 176.117 -0.001 0.000 0.999 83 I CA -2.062 59.209 61.300 -0.048 0.000 1.124 83 I CB 3.514 41.485 38.000 -0.047 0.000 1.289 83 I HN 0.660 8.847 8.210 -0.039 0.000 0.441 84 S N 9.213 124.912 115.700 -0.001 0.000 2.489 84 S HA 0.211 4.832 4.470 0.048 -0.122 0.277 84 S C -1.404 173.244 174.600 0.081 0.000 1.230 84 S CA -1.041 57.179 58.200 0.034 0.000 1.053 84 S CB 0.951 64.156 63.200 0.008 0.000 0.955 84 S HN 0.593 8.766 8.310 -0.029 0.120 0.488 85 Y N 9.663 129.939 120.300 -0.041 0.000 2.331 85 Y HA 0.203 4.729 4.550 -0.040 0.000 0.338 85 Y C -2.711 173.170 175.900 -0.033 0.000 0.976 85 Y CA -0.228 57.849 58.100 -0.038 0.000 1.137 85 Y CB 2.433 40.869 38.460 -0.040 0.000 1.172 85 Y HN 0.575 8.877 8.280 0.203 0.100 0.478 86 I N 8.340 128.759 120.570 -0.251 0.000 2.476 86 I HA 0.346 4.596 4.170 -0.092 -0.135 0.281 86 I C -2.481 173.424 176.117 -0.352 0.000 1.040 86 I CA -1.189 59.990 61.300 -0.203 0.000 1.094 86 I CB 2.355 40.290 38.000 -0.109 0.000 1.219 86 I HN 0.420 8.437 8.210 -0.322 0.000 0.450 87 L N 8.317 129.343 121.223 -0.328 0.000 2.295 87 L HA 0.525 4.649 4.340 -0.360 0.000 0.285 87 L C -2.168 174.618 176.870 -0.140 0.000 1.035 87 L CA -1.703 52.972 54.840 -0.276 0.000 0.806 87 L CB 2.223 44.171 42.059 -0.185 0.000 1.214 87 L HN 0.953 9.066 8.230 -0.195 0.000 0.426 88 K N 5.569 125.852 120.400 -0.196 0.000 2.395 88 K HA 0.368 4.651 4.320 -0.060 0.000 0.247 88 K C -1.279 175.266 176.600 -0.092 0.000 0.973 88 K CA -0.908 55.301 56.287 -0.131 0.000 0.828 88 K CB 4.116 36.518 32.500 -0.163 0.000 1.272 88 K HN 0.273 8.324 8.250 -0.332 0.000 0.439 89 S N 0.751 116.440 115.700 -0.019 0.000 2.620 89 S HA 0.444 4.931 4.470 0.029 0.000 0.244 89 S C -0.534 174.085 174.600 0.031 0.000 1.192 89 S CA -0.919 57.300 58.200 0.032 0.000 1.148 89 S CB 0.236 63.490 63.200 0.089 0.000 1.106 89 S HN -0.127 8.175 8.310 -0.014 0.000 0.474 90 A N 7.401 130.229 122.820 0.014 0.000 4.832 90 A HA -0.446 4.138 4.320 0.004 -0.262 0.351 90 A C 0.054 177.650 177.584 0.020 0.000 1.699 90 A CA 2.579 54.630 52.037 0.023 0.000 0.731 90 A CB -1.823 17.213 19.000 0.061 0.000 1.480 90 A HN 0.457 8.601 8.150 -0.009 0.000 0.447 91 T N 1.878 116.453 114.554 0.036 0.000 3.087 91 T HA 0.093 4.456 4.350 0.021 0.000 0.237 91 T C 0.300 175.016 174.700 0.027 0.000 0.990 91 T CA 1.308 63.426 62.100 0.030 0.000 1.160 91 T CB 0.823 69.715 68.868 0.041 0.000 0.923 91 T HN 0.145 8.417 8.240 0.052 0.000 0.442 92 R N 0.452 120.973 120.500 0.036 0.000 2.807 92 R HA 0.302 4.657 4.340 0.025 0.000 0.276 92 R C -1.635 174.687 176.300 0.037 0.000 0.979 92 R CA -0.704 55.415 56.100 0.033 0.000 0.928 92 R CB 2.271 32.591 30.300 0.034 0.000 1.191 92 R HN -0.182 8.115 8.270 0.046 0.000 0.471 93 T N -2.336 112.238 114.554 0.033 0.000 0.542 93 T HA -0.317 4.176 4.350 0.039 -0.119 0.774 93 T C -1.073 173.655 174.700 0.045 0.000 0.992 93 T CA 1.245 63.370 62.100 0.041 0.000 4.076 93 T CB 0.070 68.964 68.868 0.043 0.000 2.303 93 T HN 0.169 8.427 8.240 0.029 0.000 0.398 94 I N -3.251 117.350 120.570 0.052 0.000 3.466 94 I HA 0.539 4.767 4.170 0.051 -0.027 0.311 94 I C -2.345 173.833 176.117 0.101 0.000 1.155 94 I CA -3.187 58.145 61.300 0.053 0.000 0.959 94 I CB 4.606 42.615 38.000 0.016 0.000 1.332 94 I HN 0.269 8.511 8.210 0.054 0.000 0.483 95 A N 0.751 123.638 122.820 0.112 0.000 2.353 95 A HA 0.523 4.944 4.320 0.169 0.000 0.299 95 A C -1.701 175.985 177.584 0.169 0.000 1.089 95 A CA -0.949 51.193 52.037 0.173 0.000 0.736 95 A CB 1.836 20.986 19.000 0.250 0.000 1.195 95 A HN 0.648 8.720 8.150 0.065 0.117 0.447 96 S N 3.268 119.060 115.700 0.154 0.000 2.621 96 S HA 1.086 5.839 4.470 0.177 -0.177 0.302 96 S C -0.457 174.239 174.600 0.160 0.000 1.093 96 S CA -2.121 56.171 58.200 0.153 0.000 1.017 96 S CB 2.737 65.984 63.200 0.079 0.000 1.077 96 S HN 0.252 8.640 8.310 0.130 0.000 0.517 97 G N -2.423 106.473 108.800 0.160 0.000 2.349 97 G HA2 0.028 4.000 3.960 0.021 0.000 0.294 97 G HA3 0.028 3.975 3.960 -0.022 0.000 0.294 97 G C -2.937 171.996 174.900 0.055 0.000 1.380 97 G CA 0.615 45.748 45.100 0.056 0.000 0.811 97 G HN -0.105 8.293 8.290 0.180 0.000 0.519 98 T N 0.960 115.507 114.554 -0.012 0.000 3.109 98 T HA 0.655 5.221 4.350 0.025 -0.201 0.311 98 T C -0.909 173.762 174.700 -0.047 0.000 1.011 98 T CA -0.126 61.969 62.100 -0.008 0.000 1.026 98 T CB 1.783 70.645 68.868 -0.009 0.000 1.047 98 T HN 0.046 8.256 8.240 -0.050 0.000 0.448 99 I N 6.852 127.395 120.570 -0.046 0.000 2.331 99 I HA 0.377 4.498 4.170 -0.082 0.000 0.292 99 I C -2.095 173.996 176.117 -0.044 0.000 0.998 99 I CA -2.992 58.270 61.300 -0.064 0.000 1.267 99 I CB 1.360 39.318 38.000 -0.070 0.000 1.386 99 I HN 0.660 8.861 8.210 -0.015 0.000 0.476 100 P HA 0.123 4.524 4.420 -0.031 0.000 0.286 100 P C -1.210 176.073 177.300 -0.028 0.000 1.321 100 P CA -0.506 62.574 63.100 -0.033 0.000 0.790 100 P CB -0.144 31.539 31.700 -0.029 0.000 0.897 101 D N 3.691 124.075 120.400 -0.027 0.000 3.763 101 D HA -0.292 4.561 4.640 -0.022 -0.226 0.232 101 D C -0.720 175.569 176.300 -0.018 0.000 1.108 101 D CA 0.296 54.284 54.000 -0.020 0.000 1.117 101 D CB 0.541 41.335 40.800 -0.010 0.000 0.846 101 D HN -0.057 8.295 8.370 -0.031 0.000 0.405 102 P HA 0.096 4.508 4.420 -0.014 0.000 0.257 102 P C -1.485 175.813 177.300 -0.003 0.000 1.241 102 P CA -0.291 62.800 63.100 -0.014 0.000 0.816 102 P CB 1.350 33.039 31.700 -0.018 0.000 1.150 103 G N -2.445 106.356 108.800 0.001 0.000 2.324 103 G HA2 0.016 3.986 3.960 0.017 0.000 0.293 103 G HA3 0.016 3.986 3.960 0.017 0.000 0.293 103 G C -3.171 171.743 174.900 0.024 0.000 1.297 103 G CA -0.280 44.828 45.100 0.015 0.000 0.853 103 G HN -0.390 7.839 8.290 -0.004 0.059 0.535 104 S N -1.155 114.569 115.700 0.040 0.000 2.588 104 S HA 0.440 5.036 4.470 0.071 -0.084 0.275 104 S C -1.332 173.313 174.600 0.075 0.000 1.130 104 S CA -0.883 57.352 58.200 0.059 0.000 0.855 104 S CB 3.666 66.895 63.200 0.048 0.000 1.116 104 S HN 0.039 8.372 8.310 0.038 0.000 0.472 105 L N 2.422 123.707 121.223 0.102 0.000 2.380 105 L HA 0.136 4.533 4.340 0.095 0.000 0.273 105 L C 1.612 178.522 176.870 0.067 0.000 1.138 105 L CA -0.706 54.193 54.840 0.098 0.000 0.832 105 L CB 0.505 42.637 42.059 0.122 0.000 1.124 105 L HN 0.616 8.808 8.230 0.121 0.111 0.454 106 V N -0.251 119.696 119.914 0.056 0.000 2.970 106 V HA -0.129 4.015 4.120 0.040 0.000 0.260 106 V C 0.391 176.509 176.094 0.040 0.000 1.100 106 V CA 0.858 63.184 62.300 0.043 0.000 1.122 106 V CB 0.012 31.857 31.823 0.036 0.000 0.721 106 V HN 0.264 8.489 8.190 0.058 0.000 0.483 107 G N -0.824 108.004 108.800 0.047 0.000 3.436 107 G HA2 -0.183 4.085 3.960 0.062 0.000 0.685 107 G HA3 -0.183 3.803 3.960 0.044 0.000 0.685 107 G C -0.496 174.427 174.900 0.038 0.000 1.039 107 G CA -0.570 44.559 45.100 0.049 0.000 0.879 107 G HN -0.629 7.633 8.290 0.054 0.060 0.478 108 S N 0.733 116.456 115.700 0.039 0.000 3.391 108 S HA -0.623 4.016 4.470 -0.002 -0.170 0.458 108 S C -0.226 174.378 174.600 0.007 0.000 0.812 108 S CA 1.410 59.617 58.200 0.011 0.000 1.366 108 S CB -1.275 61.925 63.200 0.001 0.000 0.943 108 S HN 0.099 8.445 8.310 0.060 0.000 0.680 109 G N 2.457 111.262 108.800 0.007 0.000 2.341 109 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.293 109 G HA3 -0.138 3.829 3.960 0.012 0.000 0.293 109 G C -2.950 171.960 174.900 0.017 0.000 1.298 109 G CA -0.169 44.936 45.100 0.008 0.000 0.868 109 G HN -0.039 8.256 8.290 0.008 0.000 0.540 110 T N 1.510 116.074 114.554 0.017 0.000 2.824 110 T HA 0.603 5.145 4.350 0.031 -0.173 0.280 110 T C -0.580 174.139 174.700 0.031 0.000 0.995 110 T CA -1.046 61.069 62.100 0.025 0.000 1.009 110 T CB 1.398 70.276 68.868 0.018 0.000 0.955 110 T HN 0.007 8.255 8.240 0.014 0.000 0.452 111 T N 8.018 122.596 114.554 0.041 0.000 2.921 111 T HA 0.335 4.707 4.350 0.036 0.000 0.297 111 T C -1.865 172.860 174.700 0.042 0.000 1.013 111 T CA -1.426 60.700 62.100 0.042 0.000 0.990 111 T CB 1.849 70.746 68.868 0.049 0.000 1.023 111 T HN 0.882 9.151 8.240 0.047 0.000 0.447 112 V N 4.441 124.377 119.914 0.036 0.000 2.406 112 V HA 0.361 4.621 4.120 0.026 -0.123 0.272 112 V C -1.517 174.593 176.094 0.026 0.000 1.043 112 V CA -1.537 60.781 62.300 0.030 0.000 0.915 112 V CB -0.239 31.603 31.823 0.032 0.000 0.988 112 V HN 0.373 8.585 8.190 0.036 0.000 0.466 113 L N 6.884 128.114 121.223 0.011 0.000 2.334 113 L HA 0.400 4.749 4.340 0.015 0.000 0.270 113 L C -1.483 175.361 176.870 -0.044 0.000 1.018 113 L CA -1.102 53.739 54.840 0.001 0.000 0.811 113 L CB 2.289 44.351 42.059 0.005 0.000 1.271 113 L HN 0.768 8.888 8.230 0.009 0.115 0.443 114 D N -1.687 118.677 120.400 -0.059 0.000 2.671 114 D HA 0.949 5.645 4.640 -0.189 -0.169 0.232 114 D C -0.980 175.273 176.300 -0.079 0.000 1.114 114 D CA -1.239 52.663 54.000 -0.164 0.000 0.858 114 D CB 3.102 43.661 40.800 -0.402 0.000 1.544 114 D HN 0.107 8.465 8.370 -0.020 0.000 0.471 115 V N -5.933 113.940 119.914 -0.069 0.000 2.789 115 V HA 0.541 4.670 4.120 0.017 0.000 0.311 115 V C -2.600 173.534 176.094 0.066 0.000 1.073 115 V CA -4.459 57.858 62.300 0.028 0.000 0.921 115 V CB 2.528 34.422 31.823 0.118 0.000 1.009 115 V HN -0.016 8.098 8.190 -0.126 0.000 0.426 116 P HA 0.231 4.846 4.420 0.107 -0.131 0.275 116 P C -0.971 176.421 177.300 0.153 0.000 1.276 116 P CA -0.714 62.432 63.100 0.078 0.000 0.782 116 P CB -0.493 31.206 31.700 -0.000 0.000 0.851 117 V N 6.800 126.831 119.914 0.195 0.000 2.398 117 V HA 0.496 4.902 4.120 0.476 0.000 0.286 117 V C -0.538 175.622 176.094 0.110 0.000 1.026 117 V CA -1.436 61.016 62.300 0.253 0.000 0.868 117 V CB 2.364 34.313 31.823 0.210 0.000 0.982 117 V HN 0.915 9.210 8.190 0.175 0.000 0.443 118 K N 8.276 128.727 120.400 0.085 0.000 2.219 118 K HA 0.482 4.984 4.320 -0.102 -0.244 0.280 118 K C -0.908 175.698 176.600 0.010 0.000 1.104 118 K CA -2.281 53.963 56.287 -0.073 0.000 0.925 118 K CB -1.154 31.091 32.500 -0.424 0.000 1.261 118 K HN 0.473 8.877 8.250 0.257 0.000 0.445 119 V N 4.076 123.901 119.914 -0.148 0.000 2.509 119 V HA -0.069 4.062 4.120 0.018 0.000 0.284 119 V C 0.337 176.340 176.094 -0.153 0.000 1.047 119 V CA -1.280 60.882 62.300 -0.229 0.000 0.952 119 V CB 0.555 31.914 31.823 -0.773 0.000 0.988 119 V HN -0.313 7.716 8.190 -0.269 0.000 0.469 120 A N 5.492 128.289 122.820 -0.037 0.000 4.159 120 A HA -0.527 3.781 4.320 -0.020 0.000 0.263 120 A C 0.107 177.859 177.584 0.280 0.000 0.889 120 A CA 2.205 54.209 52.037 -0.056 0.000 1.227 120 A CB -1.738 16.907 19.000 -0.591 0.000 1.051 120 A HN 0.946 9.136 8.150 0.067 0.000 0.820 121 Y N 0.001 120.381 120.300 0.133 0.000 2.193 121 Y HA -0.449 4.208 4.550 0.177 0.000 0.285 121 Y C 0.929 176.900 175.900 0.118 0.000 1.166 121 Y CA 3.460 61.644 58.100 0.139 0.000 1.181 121 Y CB -0.429 38.074 38.460 0.071 0.000 0.976 121 Y HN 0.214 8.481 8.280 0.276 0.179 0.520 122 S N -2.123 113.754 115.700 0.295 0.000 2.345 122 S HA -0.332 4.249 4.470 0.186 0.000 0.220 122 S C 1.772 176.422 174.600 0.084 0.000 1.031 122 S CA 3.390 61.700 58.200 0.182 0.000 0.996 122 S CB -0.556 62.750 63.200 0.176 0.000 0.882 122 S HN 0.260 8.748 8.310 0.329 0.020 0.445 123 I N 1.990 122.639 120.570 0.131 0.000 2.493 123 I HA -0.275 3.941 4.170 0.077 0.000 0.254 123 I C 0.944 177.107 176.117 0.078 0.000 1.160 123 I CA 2.371 63.746 61.300 0.125 0.000 1.445 123 I CB -0.389 37.725 38.000 0.189 0.000 1.086 123 I HN -0.424 7.886 8.210 0.166 0.000 0.433 124 A N 0.368 123.254 122.820 0.109 0.000 1.855 124 A HA -0.259 3.957 4.320 -0.173 0.000 0.215 124 A C 1.564 178.850 177.584 -0.497 0.000 1.191 124 A CA 3.216 55.158 52.037 -0.159 0.000 0.613 124 A CB -0.448 18.454 19.000 -0.164 0.000 0.829 124 A HN -0.013 8.178 8.150 0.229 0.096 0.442 125 V N -2.346 117.337 119.914 -0.384 0.000 2.515 125 V HA -0.359 3.573 4.120 -0.314 0.000 0.250 125 V C 1.332 177.276 176.094 -0.249 0.000 1.058 125 V CA 2.490 64.588 62.300 -0.336 0.000 1.064 125 V CB -0.124 31.528 31.823 -0.286 0.000 0.675 125 V HN -0.014 7.995 8.190 -0.301 0.000 0.461 126 S N -1.120 114.471 115.700 -0.181 0.000 2.326 126 S HA -0.247 4.214 4.470 -0.015 0.000 0.211 126 S C 1.849 176.392 174.600 -0.095 0.000 1.031 126 S CA 3.713 61.869 58.200 -0.072 0.000 0.985 126 S CB 0.281 63.472 63.200 -0.015 0.000 0.961 126 S HN -0.571 7.626 8.310 -0.157 0.019 0.436 127 L N -7.580 113.566 121.223 -0.129 0.000 2.713 127 L HA 0.463 4.816 4.340 0.021 0.000 0.223 127 L C -0.869 175.918 176.870 -0.138 0.000 1.040 127 L CA -0.414 54.390 54.840 -0.059 0.000 0.894 127 L CB 2.167 44.245 42.059 0.031 0.000 1.361 127 L HN -0.377 7.787 8.230 -0.110 0.000 0.490 128 M N 0.953 120.471 119.600 -0.136 0.000 4.038 128 M HA -0.456 4.060 4.480 0.060 0.000 0.157 128 M C -0.101 176.205 176.300 0.011 0.000 1.531 128 M CA 0.282 55.532 55.300 -0.083 0.000 1.094 128 M CB 0.152 32.593 32.600 -0.266 0.000 1.345 128 M HN 0.005 8.149 8.290 -0.093 0.090 0.202 129 K N 3.164 123.615 120.400 0.085 0.000 2.000 129 K HA -0.225 4.107 4.320 0.020 0.000 0.218 129 K C -0.386 176.210 176.600 -0.006 0.000 1.053 129 K CA 1.765 58.069 56.287 0.027 0.000 0.946 129 K CB 0.170 32.657 32.500 -0.021 0.000 0.723 129 K HN 0.127 8.484 8.250 0.178 0.000 0.446 130 D N -3.284 117.116 120.400 -0.000 0.000 2.790 130 D HA -0.050 4.581 4.640 -0.015 0.000 0.114 130 D C -1.940 174.365 176.300 0.009 0.000 0.865 130 D CA -0.122 53.870 54.000 -0.013 0.000 1.599 130 D CB 0.538 41.320 40.800 -0.030 0.000 3.268 130 D HN -0.555 7.852 8.370 0.062 0.000 0.840 131 M N 6.677 126.333 119.600 0.094 0.000 2.338 131 M HA -0.019 4.679 4.480 0.363 0.000 0.360 131 M C -1.659 174.705 176.300 0.107 0.000 1.547 131 M CA 0.736 56.180 55.300 0.240 0.000 1.001 131 M CB 0.483 33.284 32.600 0.335 0.000 2.008 131 M HN 0.308 8.608 8.290 0.018 0.000 0.464 132 C N 4.582 123.920 119.300 0.062 0.000 2.370 132 C HA 0.203 4.672 4.460 0.014 0.000 0.371 132 C C -1.105 173.962 174.990 0.128 0.000 2.631 132 C CA -2.213 56.824 59.018 0.031 0.000 1.819 132 C CB 2.663 30.347 27.740 -0.092 0.000 2.131 132 C HN 0.419 8.688 8.230 0.064 0.000 0.400 133 T N -1.807 112.818 114.554 0.119 0.000 2.906 133 T HA -0.023 4.421 4.350 0.156 0.000 0.302 133 T C -1.439 173.346 174.700 0.142 0.000 1.002 133 T CA -0.361 61.817 62.100 0.129 0.000 0.988 133 T CB 0.666 69.585 68.868 0.086 0.000 0.972 133 T HN -0.224 8.071 8.240 0.092 0.000 0.447 134 D N 6.474 126.975 120.400 0.168 0.000 4.248 134 D HA -0.444 4.369 4.640 0.133 -0.093 0.248 134 D C -2.165 174.302 176.300 0.278 0.000 1.056 134 D CA 1.718 55.814 54.000 0.160 0.000 1.191 134 D CB -0.629 40.229 40.800 0.096 0.000 0.870 134 D HN 0.360 8.797 8.370 0.174 0.038 0.410 135 W N 4.247 125.569 121.300 0.037 0.000 2.647 135 W HA 0.289 4.967 4.660 0.030 0.000 0.328 135 W C -2.937 173.593 176.519 0.018 0.000 1.018 135 W CA -1.573 55.790 57.345 0.031 0.000 1.245 135 W CB 2.283 31.767 29.460 0.040 0.000 1.356 135 W HN 0.426 8.656 8.180 0.269 0.111 0.443 136 D N 10.326 130.530 120.400 -0.327 0.000 2.393 136 D HA 0.273 4.821 4.640 -0.430 -0.166 0.232 136 D C -1.136 174.396 176.300 -1.280 0.000 1.192 136 D CA 0.084 53.738 54.000 -0.578 0.000 0.882 136 D CB 0.232 40.887 40.800 -0.243 0.000 1.038 136 D HN 0.293 8.716 8.370 0.088 0.000 0.499 137 I N 6.193 126.072 120.570 -1.150 0.000 2.392 137 I HA 0.210 3.546 4.170 -1.390 0.000 0.295 137 I C -2.061 173.819 176.117 -0.395 0.000 0.985 137 I CA -1.709 58.978 61.300 -1.021 0.000 1.221 137 I CB 3.314 40.839 38.000 -0.791 0.000 1.366 137 I HN 0.814 8.455 8.210 -0.778 0.103 0.467 138 D N 9.301 129.567 120.400 -0.225 0.000 2.374 138 D HA -0.040 4.557 4.640 -0.072 0.000 0.240 138 D C -1.733 174.576 176.300 0.015 0.000 1.229 138 D CA -0.395 53.561 54.000 -0.072 0.000 0.895 138 D CB -0.258 40.520 40.800 -0.037 0.000 1.046 138 D HN 0.294 8.532 8.370 -0.220 0.000 0.498 139 Y N 6.051 126.285 120.300 -0.110 0.000 2.446 139 Y HA 0.263 4.769 4.550 -0.075 0.000 0.338 139 Y C -2.702 173.161 175.900 -0.061 0.000 1.055 139 Y CA -1.344 56.705 58.100 -0.084 0.000 1.101 139 Y CB 3.448 41.850 38.460 -0.096 0.000 1.221 139 Y HN -0.573 7.779 8.280 0.121 0.000 0.460 140 Q N 2.749 122.043 119.800 -0.844 0.000 2.421 140 Q HA 0.441 4.535 4.340 -0.527 -0.071 0.280 140 Q C -2.282 173.140 176.000 -0.964 0.000 1.085 140 Q CA -1.043 54.341 55.803 -0.698 0.000 0.807 140 Q CB 4.415 32.956 28.738 -0.328 0.000 1.405 140 Q HN -0.044 7.690 8.270 -0.893 0.000 0.419 141 L N 2.190 123.069 121.223 -0.574 0.000 2.476 141 L HA 0.604 4.806 4.340 -0.437 -0.124 0.269 141 L C -2.668 174.062 176.870 -0.233 0.000 0.965 141 L CA -0.314 54.288 54.840 -0.396 0.000 0.845 141 L CB 4.168 46.090 42.059 -0.229 0.000 1.259 141 L HN 1.015 8.900 8.230 -0.390 0.112 0.403 142 D N 7.409 127.678 120.400 -0.218 0.000 2.629 142 D HA 0.559 5.293 4.640 -0.114 -0.163 0.250 142 D C -1.716 174.503 176.300 -0.135 0.000 1.126 142 D CA -0.667 53.248 54.000 -0.142 0.000 0.852 142 D CB 3.619 44.352 40.800 -0.111 0.000 1.335 142 D HN 0.611 8.820 8.370 -0.268 0.000 0.518 143 I N 1.783 122.298 120.570 -0.092 0.000 2.533 143 I HA 0.450 4.717 4.170 -0.076 -0.143 0.290 143 I C -1.511 174.579 176.117 -0.046 0.000 1.056 143 I CA -1.628 59.629 61.300 -0.072 0.000 1.057 143 I CB 4.331 42.291 38.000 -0.066 0.000 1.240 143 I HN 0.736 8.901 8.210 -0.075 0.000 0.423 144 G N 5.856 114.636 108.800 -0.034 0.000 2.873 144 G HA2 0.559 4.691 3.960 -0.018 0.000 0.340 144 G HA3 0.559 4.516 3.960 -0.004 0.000 0.340 144 G C -1.483 173.380 174.900 -0.061 0.000 1.171 144 G CA -1.164 43.921 45.100 -0.025 0.000 1.113 144 G HN 0.646 8.809 8.290 -0.027 0.111 0.471 145 L N 2.555 123.704 121.223 -0.123 0.000 2.418 145 L HA 0.456 4.702 4.340 -0.156 0.000 0.265 145 L C -1.225 175.478 176.870 -0.279 0.000 1.143 145 L CA -1.665 53.041 54.840 -0.223 0.000 0.809 145 L CB 0.770 42.635 42.059 -0.324 0.000 1.124 145 L HN -0.426 7.733 8.230 -0.118 0.000 0.456 146 T N 3.010 117.401 114.554 -0.271 0.000 2.758 146 T HA 0.573 5.116 4.350 -0.122 -0.266 0.285 146 T C -0.992 173.568 174.700 -0.232 0.000 0.981 146 T CA -0.354 61.634 62.100 -0.187 0.000 0.965 146 T CB 0.781 69.595 68.868 -0.090 0.000 0.927 146 T HN -0.118 7.978 8.240 -0.241 0.000 0.448 147 F N 5.531 125.485 119.950 0.007 0.000 2.422 147 F HA 0.312 4.837 4.527 -0.003 0.000 0.333 147 F C -0.994 174.803 175.800 -0.004 0.000 1.095 147 F CA -1.213 56.788 58.000 0.001 0.000 1.038 147 F CB 2.706 41.709 39.000 0.005 0.000 1.156 147 F HN 0.454 8.782 8.300 0.047 0.000 0.483 148 D N 0.734 121.249 120.400 0.192 0.000 2.278 148 D HA 0.970 5.911 4.640 0.091 -0.247 0.245 148 D C -0.737 175.604 176.300 0.067 0.000 1.052 148 D CA -1.552 52.506 54.000 0.098 0.000 0.834 148 D CB 2.490 43.321 40.800 0.053 0.000 1.194 148 D HN 0.170 8.666 8.370 0.210 0.000 0.481 149 I N -4.413 116.184 120.570 0.045 0.000 2.619 149 I HA 0.650 4.804 4.170 -0.027 0.000 0.292 149 I C -1.372 174.751 176.117 0.009 0.000 1.100 149 I CA -3.854 57.445 61.300 -0.001 0.000 1.043 149 I CB 1.751 39.733 38.000 -0.031 0.000 1.239 149 I HN 0.271 8.517 8.210 0.059 0.000 0.420 150 P HA -0.119 4.306 4.420 0.009 0.000 0.225 150 P C -0.126 177.181 177.300 0.011 0.000 1.148 150 P CA 1.540 64.640 63.100 0.000 0.000 0.779 150 P CB 0.058 31.751 31.700 -0.011 0.000 0.780 151 V N -3.235 116.685 119.914 0.009 0.000 2.295 151 V HA -0.202 3.927 4.120 0.015 0.000 0.246 151 V C 0.651 176.778 176.094 0.056 0.000 1.049 151 V CA 1.835 64.149 62.300 0.024 0.000 1.024 151 V CB -0.357 31.477 31.823 0.018 0.000 0.648 151 V HN -0.275 7.847 8.190 -0.008 0.063 0.447 152 V N -3.954 116.013 119.914 0.088 0.000 4.197 152 V HA 0.110 4.297 4.120 0.112 0.000 0.176 152 V C -0.344 175.810 176.094 0.100 0.000 1.208 152 V CA -0.880 61.501 62.300 0.135 0.000 1.306 152 V CB 1.628 33.627 31.823 0.293 0.000 1.585 152 V HN -0.528 7.709 8.190 0.079 0.000 0.552 153 G N -1.688 107.168 108.800 0.094 0.000 2.528 153 G HA2 -0.009 3.974 3.960 0.039 0.000 0.078 153 G HA3 -0.009 3.971 3.960 0.033 0.000 0.078 153 G C -2.451 172.466 174.900 0.029 0.000 1.008 153 G CA -0.026 45.101 45.100 0.046 0.000 1.309 153 G HN -0.429 7.936 8.290 0.125 0.000 0.564 154 D N 2.526 122.914 120.400 -0.020 0.000 2.233 154 D HA 0.454 5.252 4.640 0.010 -0.152 0.240 154 D C -0.433 175.801 176.300 -0.110 0.000 1.074 154 D CA -0.791 53.186 54.000 -0.037 0.000 0.838 154 D CB 1.159 41.929 40.800 -0.051 0.000 1.124 154 D HN -0.011 8.336 8.370 -0.038 0.000 0.475 155 I N -1.955 118.606 120.570 -0.015 0.000 2.411 155 I HA 0.468 4.513 4.170 -0.208 0.000 0.284 155 I C -1.424 174.748 176.117 0.091 0.000 1.012 155 I CA -1.533 59.770 61.300 0.005 0.000 1.119 155 I CB 1.374 39.500 38.000 0.210 0.000 1.261 155 I HN 0.692 8.942 8.210 0.066 0.000 0.448 156 T N 5.586 120.178 114.554 0.063 0.000 2.762 156 T HA 0.349 4.956 4.350 0.011 -0.250 0.303 156 T C 0.035 174.899 174.700 0.273 0.000 0.977 156 T CA -1.509 60.639 62.100 0.080 0.000 0.961 156 T CB -0.137 68.736 68.868 0.008 0.000 0.944 156 T HN 0.384 8.604 8.240 -0.034 0.000 0.481 157 I N 5.988 126.660 120.570 0.170 0.000 2.291 157 I HA 0.274 4.612 4.170 0.280 0.000 0.292 157 I C -1.855 174.295 176.117 0.055 0.000 1.064 157 I CA -2.470 58.891 61.300 0.102 0.000 1.269 157 I CB 0.686 38.636 38.000 -0.085 0.000 1.418 157 I HN 0.643 8.875 8.210 0.038 0.000 0.485 158 P HA 0.231 4.745 4.420 0.022 -0.081 0.283 158 P C -0.909 176.406 177.300 0.025 0.000 1.412 158 P CA -1.123 62.014 63.100 0.062 0.000 0.912 158 P CB -1.104 30.650 31.700 0.090 0.000 1.132 159 V N 4.129 124.036 119.914 -0.012 0.000 2.368 159 V HA 0.339 4.451 4.120 -0.014 0.000 0.266 159 V C -1.085 174.989 176.094 -0.032 0.000 1.045 159 V CA -1.230 61.057 62.300 -0.022 0.000 0.899 159 V CB -0.192 31.615 31.823 -0.026 0.000 1.006 159 V HN 0.844 8.931 8.190 -0.021 0.090 0.470 160 S N 7.985 123.668 115.700 -0.028 0.000 2.586 160 S HA 0.366 4.924 4.470 -0.064 -0.127 0.274 160 S C 0.131 174.701 174.600 -0.049 0.000 1.281 160 S CA -0.374 57.800 58.200 -0.045 0.000 1.035 160 S CB 1.528 64.708 63.200 -0.033 0.000 0.962 160 S HN 0.105 8.406 8.310 -0.015 0.000 0.512 161 T N 3.367 117.877 114.554 -0.073 0.000 3.071 161 T HA 0.284 4.609 4.350 -0.042 0.000 0.311 161 T C -2.089 172.552 174.700 -0.099 0.000 1.042 161 T CA -0.037 62.024 62.100 -0.065 0.000 1.028 161 T CB 2.213 71.052 68.868 -0.048 0.000 1.068 161 T HN 0.283 8.701 8.240 -0.100 -0.238 0.451 162 Q N 3.880 123.639 119.800 -0.068 0.000 2.365 162 Q HA 0.193 4.452 4.340 -0.135 0.000 0.269 162 Q C -1.644 174.339 176.000 -0.027 0.000 1.061 162 Q CA -1.478 54.279 55.803 -0.077 0.000 0.816 162 Q CB 3.294 31.996 28.738 -0.061 0.000 1.325 162 Q HN 0.292 8.536 8.270 -0.042 0.000 0.446 163 G N 3.246 112.042 108.800 -0.006 0.000 2.791 163 G HA2 0.177 4.149 3.960 0.020 0.000 0.158 163 G HA3 0.177 4.188 3.960 0.084 0.000 0.158 163 G C -2.628 172.306 174.900 0.058 0.000 1.193 163 G CA 0.179 45.305 45.100 0.044 0.000 1.032 163 G HN 0.546 8.814 8.290 -0.037 0.000 0.557 164 E N -0.992 119.257 120.200 0.082 0.000 2.380 164 E HA 0.355 4.850 4.350 0.033 -0.125 0.281 164 E C -2.634 173.968 176.600 0.004 0.000 0.999 164 E CA -1.095 55.318 56.400 0.022 0.000 0.800 164 E CB 2.852 32.524 29.700 -0.046 0.000 1.228 164 E HN -0.259 8.162 8.360 0.101 0.000 0.436 165 I N 1.621 122.143 120.570 -0.079 0.000 2.545 165 I HA 0.310 4.457 4.170 -0.037 0.000 0.292 165 I C -1.502 174.526 176.117 -0.150 0.000 1.040 165 I CA -2.746 58.496 61.300 -0.096 0.000 1.068 165 I CB 3.485 41.382 38.000 -0.172 0.000 1.251 165 I HN 0.812 8.942 8.210 -0.134 0.000 0.424 166 K N 5.704 126.060 120.400 -0.072 0.000 2.316 166 K HA 0.418 4.831 4.320 -0.168 -0.193 0.267 166 K C -1.317 175.292 176.600 0.015 0.000 1.025 166 K CA -1.511 54.729 56.287 -0.078 0.000 0.896 166 K CB 0.716 33.178 32.500 -0.063 0.000 1.124 166 K HN 0.270 8.507 8.250 -0.021 0.000 0.451 167 L N 6.582 127.823 121.223 0.030 0.000 2.268 167 L HA 0.482 5.002 4.340 0.300 0.000 0.289 167 L C -2.421 174.569 176.870 0.200 0.000 1.064 167 L CA -3.314 51.639 54.840 0.188 0.000 0.824 167 L CB 1.188 43.346 42.059 0.165 0.000 1.202 167 L HN 0.978 9.048 8.230 -0.073 0.116 0.433 168 P HA 0.223 4.661 4.420 0.031 0.000 0.270 168 P C 0.024 177.393 177.300 0.116 0.000 1.223 168 P CA -0.637 62.491 63.100 0.047 0.000 0.785 168 P CB 0.969 32.596 31.700 -0.122 0.000 0.923 169 S N 0.589 116.338 115.700 0.081 0.000 2.917 169 S HA -0.261 4.236 4.470 0.115 0.041 0.251 169 S C 0.033 174.689 174.600 0.092 0.000 1.003 169 S CA 1.736 59.989 58.200 0.089 0.000 1.045 169 S CB -1.428 61.804 63.200 0.053 0.000 0.809 169 S HN 0.369 8.710 8.310 0.052 0.000 0.545 170 L N -0.977 120.317 121.223 0.119 0.000 2.072 170 L HA -0.224 4.173 4.340 0.095 0.000 0.205 170 L C 1.682 178.652 176.870 0.166 0.000 1.079 170 L CA 1.198 56.118 54.840 0.134 0.000 0.752 170 L CB 0.226 42.386 42.059 0.167 0.000 0.906 170 L HN -0.073 8.093 8.230 0.132 0.142 0.436 171 R N -4.316 116.313 120.500 0.215 0.000 3.928 171 R HA -0.434 4.179 4.340 0.248 -0.124 0.417 171 R C -1.169 175.260 176.300 0.215 0.000 0.647 171 R CA 2.104 58.328 56.100 0.207 0.000 1.610 171 R CB -1.166 29.215 30.300 0.135 0.000 2.164 171 R HN -0.526 7.892 8.270 0.247 0.000 0.406 172 D N -0.426 120.103 120.400 0.216 0.000 2.930 172 D HA 0.148 4.888 4.640 0.166 0.000 0.304 172 D C -1.545 174.934 176.300 0.298 0.000 1.298 172 D CA 0.173 54.290 54.000 0.196 0.000 0.949 172 D CB 0.057 40.933 40.800 0.127 0.000 1.013 172 D HN -0.394 7.976 8.370 0.208 0.125 0.510 173 F N 0.305 120.360 119.950 0.174 0.000 2.915 173 F HA 0.117 4.726 4.527 0.136 0.000 0.347 173 F C -2.887 173.075 175.800 0.269 0.000 1.104 173 F CA -0.292 57.821 58.000 0.188 0.000 1.126 173 F CB 2.073 41.205 39.000 0.219 0.000 1.145 173 F HN -0.081 8.400 8.300 0.426 0.075 0.541 174 F N 0.000 120.006 119.950 0.093 0.000 2.286 174 F HA 0.000 4.479 4.527 -0.080 0.000 0.279 174 F CA 0.000 58.017 58.000 0.028 0.000 1.383 174 F CB 0.000 39.076 39.000 0.126 0.000 1.145 174 F HN 0.000 8.442 8.300 0.339 0.061 0.574