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 2ffh_1_C DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVTRD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMGDVASL DATA SEQUENCE AEKVRAAXXX XXXXXXXXEL SLEDFLKQMQ NLKRLGPFSE ILGLLPGVPQ DATA SEQUENCE GLKVDEKAIK RLEAIVLSMT PEERKDPRIL NGSRRKRIAK GSGTSVQEVN DATA SEQUENCE RFIKAFEEMK ALMKSLEK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.178 176.300 -0.203 0.000 1.140 1 M CA 0.000 55.109 55.300 -0.317 0.000 0.988 1 M CB 0.000 32.321 32.600 -0.465 0.000 1.302 2 F N 1.516 121.488 119.950 0.037 0.000 2.667 2 F HA -0.308 4.219 4.527 0.000 0.000 0.250 2 F C 1.528 177.342 175.800 0.022 0.000 1.029 2 F CA 0.658 58.674 58.000 0.026 0.000 0.944 2 F CB -0.871 38.146 39.000 0.028 0.000 0.994 2 F HN 0.806 nan 8.300 nan 0.000 0.842 3 Q N 0.815 120.715 119.800 0.167 0.000 2.096 3 Q HA -0.291 4.049 4.340 0.000 0.000 0.208 3 Q C 2.041 178.094 176.000 0.088 0.000 0.993 3 Q CA 2.518 58.380 55.803 0.099 0.000 0.862 3 Q CB 0.031 28.810 28.738 0.068 0.000 0.915 3 Q HN 0.809 nan 8.270 nan 0.000 0.416 4 Q N -0.262 119.588 119.800 0.084 0.000 1.975 4 Q HA -0.203 4.137 4.340 0.000 0.000 0.205 4 Q C 2.219 178.250 176.000 0.052 0.000 0.990 4 Q CA 1.613 57.447 55.803 0.052 0.000 0.845 4 Q CB -0.295 28.462 28.738 0.031 0.000 0.913 4 Q HN 0.384 nan 8.270 nan 0.000 0.420 5 L N 0.414 121.675 121.223 0.062 0.000 2.013 5 L HA -0.232 4.108 4.340 0.000 0.000 0.212 5 L C 2.347 179.265 176.870 0.080 0.000 1.073 5 L CA 2.161 57.032 54.840 0.051 0.000 0.753 5 L CB -0.990 41.100 42.059 0.052 0.000 0.890 5 L HN 0.120 nan 8.230 nan 0.000 0.432 6 S N -0.930 114.844 115.700 0.123 0.000 2.353 6 S HA -0.210 4.260 4.470 0.000 0.000 0.222 6 S C 2.103 176.745 174.600 0.071 0.000 1.035 6 S CA 1.416 59.681 58.200 0.107 0.000 1.025 6 S CB -0.552 62.710 63.200 0.104 0.000 0.902 6 S HN 0.704 nan 8.310 nan 0.000 0.440 7 A N 0.744 123.599 122.820 0.059 0.000 1.969 7 A HA 0.019 4.339 4.320 0.000 0.000 0.218 7 A C 2.206 179.812 177.584 0.036 0.000 1.169 7 A CA 1.280 53.343 52.037 0.042 0.000 0.635 7 A CB -0.448 18.573 19.000 0.036 0.000 0.810 7 A HN 0.551 nan 8.150 nan 0.000 0.445 8 R N -0.887 119.633 120.500 0.034 0.000 2.100 8 R HA 0.176 4.516 4.340 0.000 0.000 0.220 8 R C 1.898 178.216 176.300 0.029 0.000 1.091 8 R CA 0.697 56.811 56.100 0.024 0.000 0.986 8 R CB -0.251 30.056 30.300 0.012 0.000 0.888 8 R HN 0.504 nan 8.270 nan 0.000 0.444 9 L N 0.431 121.678 121.223 0.040 0.000 2.141 9 L HA -0.189 4.151 4.340 0.000 0.000 0.209 9 L C 2.186 179.091 176.870 0.059 0.000 1.094 9 L CA 1.389 56.262 54.840 0.055 0.000 0.763 9 L CB -0.197 41.910 42.059 0.081 0.000 0.908 9 L HN 0.273 nan 8.230 nan 0.000 0.437 10 Q N -0.600 119.231 119.800 0.053 0.000 2.137 10 Q HA -0.198 4.142 4.340 0.000 0.000 0.198 10 Q C 1.999 178.019 176.000 0.034 0.000 0.960 10 Q CA 0.899 56.729 55.803 0.045 0.000 0.847 10 Q CB -0.039 28.723 28.738 0.040 0.000 0.915 10 Q HN 0.439 nan 8.270 nan 0.000 0.448 11 E N 0.955 121.173 120.200 0.030 0.000 2.097 11 E HA -0.264 4.086 4.350 0.000 0.000 0.196 11 E C 1.910 178.525 176.600 0.024 0.000 1.000 11 E CA 1.142 57.556 56.400 0.024 0.000 0.804 11 E CB -0.052 29.660 29.700 0.020 0.000 0.740 11 E HN 0.358 nan 8.360 nan 0.000 0.454 12 A N 0.999 123.836 122.820 0.029 0.000 1.865 12 A HA -0.199 4.121 4.320 0.000 0.000 0.217 12 A C 2.176 179.780 177.584 0.034 0.000 1.191 12 A CA 1.624 53.679 52.037 0.031 0.000 0.623 12 A CB -0.700 18.322 19.000 0.037 0.000 0.826 12 A HN 0.323 nan 8.150 nan 0.000 0.444 13 I N -0.389 120.205 120.570 0.040 0.000 2.315 13 I HA -0.169 4.001 4.170 0.000 0.000 0.248 13 I C 2.643 178.776 176.117 0.027 0.000 1.117 13 I CA 1.017 62.340 61.300 0.038 0.000 1.404 13 I CB -0.610 37.417 38.000 0.045 0.000 1.071 13 I HN 0.417 nan 8.210 nan 0.000 0.419 14 G N 0.477 109.292 108.800 0.025 0.000 2.432 14 G HA2 -0.213 3.747 3.960 0.000 0.000 0.219 14 G HA3 -0.213 3.747 3.960 0.000 0.000 0.219 14 G C 1.797 176.706 174.900 0.016 0.000 1.135 14 G CA 0.231 45.342 45.100 0.019 0.000 0.767 14 G HN 0.283 nan 8.290 nan 0.000 0.550 15 R N -0.894 119.617 120.500 0.017 0.000 2.241 15 R HA 0.050 4.390 4.340 0.000 0.000 0.224 15 R C 1.650 177.958 176.300 0.013 0.000 1.101 15 R CA 0.378 56.487 56.100 0.014 0.000 0.995 15 R CB -0.116 30.193 30.300 0.015 0.000 0.870 15 R HN 0.273 nan 8.270 nan 0.000 0.463 16 L N 0.067 121.299 121.223 0.015 0.000 2.567 16 L HA 0.073 4.413 4.340 0.000 0.000 0.225 16 L C 0.627 177.503 176.870 0.010 0.000 1.119 16 L CA 0.684 55.532 54.840 0.013 0.000 0.871 16 L CB -0.108 41.961 42.059 0.016 0.000 1.036 16 L HN -0.126 nan 8.230 nan 0.000 0.459 17 R N 0.169 120.675 120.500 0.010 0.000 2.347 17 R HA 0.381 4.721 4.340 0.000 0.000 0.304 17 R C 1.105 177.409 176.300 0.006 0.000 1.072 17 R CA 0.721 56.825 56.100 0.007 0.000 0.980 17 R CB 0.208 30.512 30.300 0.007 0.000 0.986 17 R HN 0.316 nan 8.270 nan 0.000 0.448 18 G N 2.951 111.753 108.800 0.004 0.000 2.179 18 G HA2 -0.321 3.639 3.960 0.000 0.000 0.260 18 G HA3 -0.321 3.639 3.960 0.000 0.000 0.260 18 G C 0.997 175.899 174.900 0.004 0.000 0.977 18 G CA 0.202 45.304 45.100 0.003 0.000 0.641 18 G HN 0.594 nan 8.290 nan 0.000 0.533 19 R N 0.588 121.090 120.500 0.005 0.000 2.240 19 R HA 0.361 4.701 4.340 0.000 0.000 0.203 19 R C 1.815 178.118 176.300 0.004 0.000 1.011 19 R CA 1.111 57.214 56.100 0.005 0.000 1.007 19 R CB -0.071 30.233 30.300 0.006 0.000 0.911 19 R HN 1.474 nan 8.270 nan 0.000 0.468 20 G N 1.605 110.407 108.800 0.003 0.000 2.584 20 G HA2 -0.332 3.628 3.960 0.000 0.000 0.229 20 G HA3 -0.332 3.628 3.960 0.000 0.000 0.229 20 G C -0.666 174.237 174.900 0.003 0.000 1.320 20 G CA -0.217 44.885 45.100 0.003 0.000 0.891 20 G HN 0.378 nan 8.290 nan 0.000 0.573 21 R N 0.389 120.891 120.500 0.003 0.000 2.538 21 R HA 0.347 4.687 4.340 0.000 0.000 0.282 21 R C 1.155 177.458 176.300 0.004 0.000 1.009 21 R CA 0.666 56.768 56.100 0.003 0.000 1.063 21 R CB -0.310 29.991 30.300 0.003 0.000 0.945 21 R HN 0.791 nan 8.270 nan 0.000 0.414 22 I N -0.088 120.485 120.570 0.005 0.000 3.076 22 I HA 0.571 4.741 4.170 0.000 0.000 0.313 22 I C 0.026 176.146 176.117 0.006 0.000 1.053 22 I CA -1.030 60.273 61.300 0.006 0.000 1.048 22 I CB 2.024 40.029 38.000 0.008 0.000 1.264 22 I HN 0.623 nan 8.210 nan 0.000 0.498 23 T N -2.084 112.474 114.554 0.006 0.000 2.952 23 T HA 0.307 4.657 4.350 0.000 0.000 0.286 23 T C 0.694 175.397 174.700 0.006 0.000 1.024 23 T CA -0.417 61.687 62.100 0.006 0.000 1.029 23 T CB 1.930 70.801 68.868 0.005 0.000 1.094 23 T HN 0.887 nan 8.240 nan 0.000 0.515 24 E N 0.102 120.305 120.200 0.006 0.000 2.085 24 E HA -0.215 4.135 4.350 0.000 0.000 0.194 24 E C 1.682 178.286 176.600 0.007 0.000 0.994 24 E CA 1.304 57.708 56.400 0.006 0.000 0.801 24 E CB -0.010 29.693 29.700 0.005 0.000 0.743 24 E HN 0.664 nan 8.360 nan 0.000 0.453 25 E N 0.648 120.851 120.200 0.006 0.000 2.265 25 E HA -0.172 4.178 4.350 0.000 0.000 0.196 25 E C 1.519 178.124 176.600 0.008 0.000 0.996 25 E CA 0.808 57.212 56.400 0.007 0.000 0.832 25 E CB -0.067 29.636 29.700 0.006 0.000 0.756 25 E HN 0.418 nan 8.360 nan 0.000 0.491 26 D N 0.206 120.611 120.400 0.009 0.000 2.137 26 D HA -0.099 4.541 4.640 0.000 0.000 0.202 26 D C 2.039 178.347 176.300 0.012 0.000 0.970 26 D CA 0.293 54.299 54.000 0.010 0.000 0.837 26 D CB -0.050 40.756 40.800 0.010 0.000 0.981 26 D HN 0.129 nan 8.370 nan 0.000 0.475 27 L N 1.593 122.824 121.223 0.012 0.000 2.141 27 L HA -0.063 4.277 4.340 0.000 0.000 0.209 27 L C 1.832 178.712 176.870 0.016 0.000 1.094 27 L CA 1.651 56.501 54.840 0.015 0.000 0.763 27 L CB -0.397 41.670 42.059 0.014 0.000 0.908 27 L HN -0.199 nan 8.230 nan 0.000 0.437 28 K N -0.796 119.612 120.400 0.013 0.000 2.211 28 K HA -0.055 4.266 4.320 0.000 0.000 0.203 28 K C 1.934 178.542 176.600 0.013 0.000 1.050 28 K CA 1.028 57.322 56.287 0.012 0.000 0.945 28 K CB -0.058 32.447 32.500 0.009 0.000 0.732 28 K HN 0.525 nan 8.250 nan 0.000 0.451 29 A N 0.228 123.056 122.820 0.013 0.000 1.878 29 A HA -0.069 4.251 4.320 0.000 0.000 0.213 29 A C 2.116 179.710 177.584 0.017 0.000 1.192 29 A CA 1.473 53.518 52.037 0.013 0.000 0.619 29 A CB -0.729 18.278 19.000 0.012 0.000 0.837 29 A HN 0.181 nan 8.150 nan 0.000 0.446 30 T N 0.829 115.395 114.554 0.020 0.000 2.778 30 T HA -0.122 4.228 4.350 0.000 0.000 0.269 30 T C 1.725 176.445 174.700 0.033 0.000 1.050 30 T CA 1.519 63.635 62.100 0.027 0.000 1.137 30 T CB -0.416 68.470 68.868 0.029 0.000 0.860 30 T HN 0.355 nan 8.240 nan 0.000 0.468 31 L N -0.076 121.166 121.223 0.032 0.000 2.072 31 L HA -0.003 4.337 4.340 0.000 0.000 0.205 31 L C 2.900 179.787 176.870 0.028 0.000 1.079 31 L CA 1.214 56.078 54.840 0.039 0.000 0.752 31 L CB -0.426 41.654 42.059 0.034 0.000 0.906 31 L HN 0.120 nan 8.230 nan 0.000 0.436 32 R N 0.203 120.714 120.500 0.018 0.000 2.073 32 R HA -0.175 4.165 4.340 0.000 0.000 0.234 32 R C 2.229 178.532 176.300 0.004 0.000 1.134 32 R CA 1.605 57.710 56.100 0.008 0.000 0.952 32 R CB -0.225 30.078 30.300 0.006 0.000 0.850 32 R HN 0.425 nan 8.270 nan 0.000 0.433 33 E N 0.326 120.531 120.200 0.009 0.000 2.070 33 E HA -0.242 4.108 4.350 0.000 0.000 0.197 33 E C 2.042 178.642 176.600 0.001 0.000 1.004 33 E CA 1.400 57.804 56.400 0.007 0.000 0.805 33 E CB -0.204 29.505 29.700 0.014 0.000 0.744 33 E HN 0.390 nan 8.360 nan 0.000 0.451 34 I N 0.640 121.217 120.570 0.012 0.000 2.252 34 I HA -0.246 3.924 4.170 0.000 0.000 0.245 34 I C 2.798 178.886 176.117 -0.049 0.000 1.102 34 I CA 0.878 62.180 61.300 0.003 0.000 1.385 34 I CB -0.246 37.794 38.000 0.066 0.000 1.064 34 I HN 0.049 nan 8.210 nan 0.000 0.414 35 R N 0.959 121.443 120.500 -0.027 0.000 2.096 35 R HA -0.153 4.187 4.340 0.000 0.000 0.235 35 R C 2.471 178.733 176.300 -0.064 0.000 1.127 35 R CA 1.140 57.210 56.100 -0.050 0.000 0.968 35 R CB -0.004 30.284 30.300 -0.021 0.000 0.861 35 R HN 0.236 nan 8.270 nan 0.000 0.440 36 R N 0.506 120.981 120.500 -0.043 0.000 2.082 36 R HA -0.080 4.260 4.340 0.000 0.000 0.228 36 R C 2.344 178.610 176.300 -0.057 0.000 1.140 36 R CA 1.411 57.487 56.100 -0.039 0.000 0.920 36 R CB -1.209 29.077 30.300 -0.022 0.000 0.828 36 R HN 0.305 nan 8.270 nan 0.000 0.430 37 A N 1.800 124.588 122.820 -0.053 0.000 1.944 37 A HA -0.237 4.083 4.320 0.000 0.000 0.222 37 A C 2.431 179.954 177.584 -0.102 0.000 1.237 37 A CA 2.070 54.069 52.037 -0.063 0.000 0.668 37 A CB -0.992 17.975 19.000 -0.055 0.000 0.830 37 A HN 0.289 nan 8.150 nan 0.000 0.471 38 L N -2.129 119.001 121.223 -0.156 0.000 2.109 38 L HA -0.106 4.234 4.340 0.000 0.000 0.207 38 L C 2.851 179.633 176.870 -0.146 0.000 1.086 38 L CA 1.357 56.072 54.840 -0.208 0.000 0.760 38 L CB -0.360 41.504 42.059 -0.326 0.000 0.910 38 L HN 0.444 nan 8.230 nan 0.000 0.437 39 M N -0.727 118.808 119.600 -0.109 0.000 2.319 39 M HA -0.138 4.342 4.480 0.000 0.000 0.265 39 M C 1.117 177.379 176.300 -0.064 0.000 1.068 39 M CA 1.233 56.485 55.300 -0.080 0.000 1.118 39 M CB -0.065 32.498 32.600 -0.061 0.000 1.395 39 M HN 0.157 nan 8.290 nan 0.000 0.435 40 D N 0.030 120.394 120.400 -0.059 0.000 2.355 40 D HA 0.072 4.712 4.640 0.000 0.000 0.218 40 D C 1.144 177.411 176.300 -0.054 0.000 1.004 40 D CA 0.472 54.446 54.000 -0.044 0.000 0.880 40 D CB 0.285 41.066 40.800 -0.031 0.000 0.911 40 D HN 0.269 nan 8.370 nan 0.000 0.528 41 A N 0.438 123.210 122.820 -0.079 0.000 2.423 41 A HA 0.113 4.433 4.320 0.000 0.000 0.246 41 A C 0.264 177.778 177.584 -0.116 0.000 1.278 41 A CA -0.108 51.870 52.037 -0.099 0.000 0.903 41 A CB 0.354 19.280 19.000 -0.123 0.000 0.997 41 A HN -0.125 nan 8.150 nan 0.000 0.510 42 D N -1.542 118.803 120.400 -0.093 0.000 3.077 42 D HA -0.135 4.505 4.640 0.000 0.000 0.212 42 D C 0.125 176.367 176.300 -0.098 0.000 1.125 42 D CA 1.102 55.051 54.000 -0.086 0.000 0.970 42 D CB -2.039 38.712 40.800 -0.082 0.000 1.110 42 D HN 0.272 nan 8.370 nan 0.000 0.419 43 V N 1.214 121.056 119.914 -0.119 0.000 2.788 43 V HA -0.034 4.086 4.120 0.000 0.000 0.307 43 V C 1.454 177.495 176.094 -0.089 0.000 1.069 43 V CA -0.162 62.066 62.300 -0.120 0.000 1.173 43 V CB 0.971 32.699 31.823 -0.159 0.000 0.925 43 V HN 0.285 nan 8.190 nan 0.000 0.492 44 N N 2.261 120.921 118.700 -0.067 0.000 2.267 44 N HA -0.007 4.733 4.740 0.000 0.000 0.226 44 N C 0.675 176.144 175.510 -0.069 0.000 1.314 44 N CA -0.147 52.876 53.050 -0.046 0.000 0.887 44 N CB 0.732 39.216 38.487 -0.006 0.000 1.120 44 N HN 0.515 nan 8.380 nan 0.000 0.440 45 L N 1.742 122.929 121.223 -0.060 0.000 2.084 45 L HA -0.022 4.318 4.340 0.000 0.000 0.202 45 L C 2.371 179.188 176.870 -0.089 0.000 1.074 45 L CA 1.394 56.194 54.840 -0.067 0.000 0.757 45 L CB -0.778 41.251 42.059 -0.049 0.000 0.918 45 L HN 0.762 nan 8.230 nan 0.000 0.444 46 E N -1.000 119.126 120.200 -0.124 0.000 2.338 46 E HA -0.136 4.214 4.350 0.000 0.000 0.197 46 E C 1.771 178.224 176.600 -0.246 0.000 1.007 46 E CA 1.090 57.381 56.400 -0.182 0.000 0.849 46 E CB -0.016 29.549 29.700 -0.225 0.000 0.774 46 E HN 0.283 nan 8.360 nan 0.000 0.506 47 V N -0.123 119.648 119.914 -0.238 0.000 2.379 47 V HA -0.153 3.967 4.120 0.000 0.000 0.243 47 V C 2.233 178.307 176.094 -0.033 0.000 1.035 47 V CA 1.876 64.087 62.300 -0.149 0.000 1.035 47 V CB -0.754 31.006 31.823 -0.106 0.000 0.673 47 V HN 0.324 nan 8.190 nan 0.000 0.457 48 T N -0.165 114.349 114.554 -0.067 0.000 2.759 48 T HA -0.239 4.111 4.350 0.000 0.000 0.269 48 T C 2.038 176.738 174.700 0.000 0.000 1.042 48 T CA 1.812 63.869 62.100 -0.070 0.000 1.140 48 T CB -0.230 68.579 68.868 -0.097 0.000 0.864 48 T HN 0.325 nan 8.240 nan 0.000 0.455 49 R N 0.687 121.176 120.500 -0.018 0.000 2.070 49 R HA -0.138 4.202 4.340 0.000 0.000 0.233 49 R C 2.355 178.670 176.300 0.024 0.000 1.137 49 R CA 1.914 58.011 56.100 -0.006 0.000 0.945 49 R CB -0.373 29.907 30.300 -0.032 0.000 0.845 49 R HN 0.269 nan 8.270 nan 0.000 0.430 50 D N -0.268 120.140 120.400 0.013 0.000 2.097 50 D HA -0.211 4.429 4.640 0.000 0.000 0.195 50 D C 1.721 178.069 176.300 0.080 0.000 0.989 50 D CA 1.153 55.166 54.000 0.021 0.000 0.827 50 D CB -0.267 40.525 40.800 -0.014 0.000 0.966 50 D HN 0.159 nan 8.370 nan 0.000 0.456 51 F N 0.752 120.674 119.950 -0.048 0.000 2.063 51 F HA -0.275 4.252 4.527 0.000 0.000 0.298 51 F C 2.341 178.129 175.800 -0.021 0.000 1.109 51 F CA 1.677 59.658 58.000 -0.031 0.000 1.212 51 F CB -0.598 38.383 39.000 -0.031 0.000 0.973 51 F HN -0.079 nan 8.300 nan 0.000 0.480 52 V N -0.275 119.829 119.914 0.316 0.000 2.343 52 V HA -0.263 3.857 4.120 0.000 0.000 0.247 52 V C 2.269 178.415 176.094 0.087 0.000 1.051 52 V CA 2.096 64.511 62.300 0.193 0.000 1.036 52 V CB -0.749 31.140 31.823 0.111 0.000 0.654 52 V HN 0.211 nan 8.190 nan 0.000 0.451 53 E N 0.172 120.406 120.200 0.056 0.000 2.077 53 E HA -0.190 4.160 4.350 0.000 0.000 0.193 53 E C 2.352 178.952 176.600 0.000 0.000 0.989 53 E CA 1.194 57.606 56.400 0.021 0.000 0.800 53 E CB -0.424 29.283 29.700 0.011 0.000 0.746 53 E HN 0.511 nan 8.360 nan 0.000 0.452 54 R N 0.122 120.610 120.500 -0.020 0.000 2.148 54 R HA -0.078 4.262 4.340 0.000 0.000 0.227 54 R C 1.783 178.044 176.300 -0.064 0.000 1.103 54 R CA 1.019 57.084 56.100 -0.059 0.000 0.983 54 R CB -0.017 30.216 30.300 -0.111 0.000 0.874 54 R HN 0.088 nan 8.270 nan 0.000 0.451 55 V N 1.616 121.501 119.914 -0.048 0.000 2.346 55 V HA -0.191 3.929 4.120 0.000 0.000 0.244 55 V C 2.613 178.707 176.094 -0.000 0.000 1.037 55 V CA 2.061 64.344 62.300 -0.028 0.000 1.029 55 V CB -0.660 31.178 31.823 0.025 0.000 0.663 55 V HN 0.456 nan 8.190 nan 0.000 0.454 56 R N 0.601 121.108 120.500 0.013 0.000 2.081 56 R HA -0.215 4.125 4.340 0.000 0.000 0.235 56 R C 2.186 178.488 176.300 0.002 0.000 1.131 56 R CA 2.211 58.319 56.100 0.012 0.000 0.960 56 R CB -0.432 29.878 30.300 0.015 0.000 0.856 56 R HN 0.627 nan 8.270 nan 0.000 0.436 57 E N 0.385 120.582 120.200 -0.004 0.000 2.017 57 E HA -0.199 4.151 4.350 0.000 0.000 0.193 57 E C 1.881 178.475 176.600 -0.010 0.000 0.997 57 E CA 1.557 57.953 56.400 -0.008 0.000 0.804 57 E CB 0.070 29.762 29.700 -0.012 0.000 0.757 57 E HN 0.427 nan 8.360 nan 0.000 0.448 58 E N 0.110 120.299 120.200 -0.017 0.000 2.077 58 E HA -0.201 4.149 4.350 0.000 0.000 0.193 58 E C 2.029 178.624 176.600 -0.009 0.000 0.989 58 E CA 0.938 57.328 56.400 -0.017 0.000 0.800 58 E CB -0.213 29.469 29.700 -0.029 0.000 0.746 58 E HN 0.322 nan 8.360 nan 0.000 0.452 59 A N 1.686 124.503 122.820 -0.005 0.000 1.877 59 A HA -0.149 4.171 4.320 0.000 0.000 0.216 59 A C 2.366 179.951 177.584 0.002 0.000 1.186 59 A CA 1.078 53.116 52.037 0.002 0.000 0.620 59 A CB -0.791 18.214 19.000 0.008 0.000 0.822 59 A HN 0.142 nan 8.150 nan 0.000 0.443 60 L N -0.680 120.544 121.223 0.002 0.000 2.079 60 L HA -0.152 4.188 4.340 0.000 0.000 0.210 60 L C 2.650 179.520 176.870 0.000 0.000 1.081 60 L CA 1.115 55.956 54.840 0.002 0.000 0.752 60 L CB -0.715 41.345 42.059 0.001 0.000 0.896 60 L HN 0.522 nan 8.230 nan 0.000 0.433 61 G N -0.919 107.880 108.800 -0.002 0.000 2.708 61 G HA2 -0.145 3.815 3.960 0.000 0.000 0.210 61 G HA3 -0.145 3.815 3.960 0.000 0.000 0.210 61 G C 1.383 176.282 174.900 -0.002 0.000 1.141 61 G CA 0.210 45.309 45.100 -0.003 0.000 0.788 61 G HN 0.116 nan 8.290 nan 0.000 0.531 62 K N 0.384 120.783 120.400 -0.001 0.000 2.455 62 K HA 0.105 4.425 4.320 0.000 0.000 0.206 62 K C 0.405 177.005 176.600 0.001 0.000 1.027 62 K CA -0.198 56.089 56.287 -0.000 0.000 1.113 62 K CB 0.607 33.107 32.500 0.001 0.000 0.850 62 K HN 0.160 nan 8.250 nan 0.000 0.503 63 Q N -0.513 119.287 119.800 0.001 0.000 2.470 63 Q HA -0.148 4.192 4.340 0.000 0.000 0.294 63 Q C 1.091 177.093 176.000 0.002 0.000 1.356 63 Q CA 0.391 56.194 55.803 0.001 0.000 0.805 63 Q CB -3.012 25.726 28.738 0.001 0.000 1.157 63 Q HN 0.062 nan 8.270 nan 0.000 0.431 64 V N 0.057 119.973 119.914 0.004 0.000 2.237 64 V HA -0.235 3.885 4.120 0.000 0.000 0.245 64 V C 2.262 178.359 176.094 0.005 0.000 1.046 64 V CA 2.149 64.453 62.300 0.005 0.000 1.007 64 V CB -0.329 31.499 31.823 0.008 0.000 0.638 64 V HN 0.585 nan 8.190 nan 0.000 0.445 65 L N -0.107 121.119 121.223 0.005 0.000 2.642 65 L HA -0.130 4.210 4.340 0.000 0.000 0.236 65 L C 1.516 178.388 176.870 0.004 0.000 1.169 65 L CA 1.162 56.005 54.840 0.005 0.000 0.851 65 L CB -0.466 41.596 42.059 0.004 0.000 0.968 65 L HN 0.518 nan 8.230 nan 0.000 0.453 66 E N -2.271 117.931 120.200 0.003 0.000 2.715 66 E HA 0.095 4.445 4.350 0.000 0.000 0.224 66 E C 0.300 176.901 176.600 0.002 0.000 0.962 66 E CA -0.147 56.255 56.400 0.002 0.000 1.145 66 E CB 0.875 30.576 29.700 0.002 0.000 1.083 66 E HN 0.063 nan 8.360 nan 0.000 0.506 67 S N 0.496 116.197 115.700 0.002 0.000 2.586 67 S HA 0.211 4.681 4.470 0.000 0.000 0.274 67 S C 0.646 175.247 174.600 0.002 0.000 1.281 67 S CA -0.510 57.691 58.200 0.002 0.000 1.035 67 S CB 0.884 64.085 63.200 0.002 0.000 0.962 67 S HN 0.186 nan 8.310 nan 0.000 0.512 68 L N 3.800 125.023 121.223 0.001 0.000 2.492 68 L HA 0.243 4.583 4.340 0.000 0.000 0.223 68 L C 1.231 178.102 176.870 0.001 0.000 1.132 68 L CA 1.265 56.105 54.840 0.001 0.000 0.850 68 L CB -0.144 41.915 42.059 -0.000 0.000 0.966 68 L HN 0.906 nan 8.230 nan 0.000 0.454 69 T N -4.158 110.396 114.554 0.001 0.000 3.504 69 T HA 0.317 4.667 4.350 0.000 0.000 0.286 69 T C -1.683 173.019 174.700 0.003 0.000 1.530 69 T CA -1.238 60.863 62.100 0.001 0.000 1.652 69 T CB 0.486 69.353 68.868 -0.002 0.000 0.895 69 T HN -0.011 nan 8.240 nan 0.000 0.674 70 P HA -0.122 nan 4.420 nan 0.000 0.218 70 P C 1.717 179.023 177.300 0.010 0.000 1.148 70 P CA 1.185 64.289 63.100 0.008 0.000 0.822 70 P CB 0.046 31.752 31.700 0.008 0.000 0.784 71 A N 1.217 124.043 122.820 0.010 0.000 1.865 71 A HA -0.202 4.118 4.320 0.000 0.000 0.217 71 A C 2.309 179.900 177.584 0.012 0.000 1.191 71 A CA 1.660 53.704 52.037 0.012 0.000 0.623 71 A CB -1.368 17.638 19.000 0.010 0.000 0.826 71 A HN 0.082 nan 8.150 nan 0.000 0.444 72 E N -0.317 119.885 120.200 0.004 0.000 2.333 72 E HA -0.097 4.253 4.350 0.000 0.000 0.198 72 E C 2.015 178.617 176.600 0.002 0.000 1.007 72 E CA 1.032 57.431 56.400 -0.001 0.000 0.845 72 E CB -0.202 29.493 29.700 -0.009 0.000 0.766 72 E HN 0.423 nan 8.360 nan 0.000 0.507 73 V N 0.968 120.886 119.914 0.007 0.000 2.535 73 V HA -0.161 3.959 4.120 0.000 0.000 0.246 73 V C 2.190 178.295 176.094 0.019 0.000 1.045 73 V CA 0.710 63.016 62.300 0.010 0.000 1.058 73 V CB -0.120 31.708 31.823 0.008 0.000 0.689 73 V HN 0.199 nan 8.190 nan 0.000 0.461 74 I N 0.007 120.592 120.570 0.025 0.000 2.315 74 I HA -0.145 4.025 4.170 0.000 0.000 0.248 74 I C 2.370 178.518 176.117 0.051 0.000 1.117 74 I CA 1.417 62.740 61.300 0.038 0.000 1.404 74 I CB -1.085 36.940 38.000 0.042 0.000 1.071 74 I HN 0.330 nan 8.210 nan 0.000 0.419 75 L N 1.779 123.028 121.223 0.043 0.000 2.046 75 L HA -0.087 4.253 4.340 0.000 0.000 0.208 75 L C 2.476 179.387 176.870 0.068 0.000 1.077 75 L CA 2.206 57.078 54.840 0.052 0.000 0.747 75 L CB -1.068 41.003 42.059 0.020 0.000 0.896 75 L HN 0.159 nan 8.230 nan 0.000 0.432 76 A N -1.786 121.060 122.820 0.042 0.000 1.969 76 A HA -0.131 4.189 4.320 0.000 0.000 0.218 76 A C 2.247 179.890 177.584 0.098 0.000 1.169 76 A CA 1.990 54.063 52.037 0.060 0.000 0.635 76 A CB -1.003 18.011 19.000 0.024 0.000 0.810 76 A HN 0.511 nan 8.150 nan 0.000 0.445 77 T N -0.622 113.965 114.554 0.054 0.000 2.809 77 T HA -0.057 4.293 4.350 0.000 0.000 0.260 77 T C 1.887 176.571 174.700 -0.026 0.000 1.039 77 T CA 1.472 63.578 62.100 0.011 0.000 1.141 77 T CB -0.252 68.618 68.868 0.002 0.000 0.869 77 T HN 0.141 nan 8.240 nan 0.000 0.437 78 V N 0.752 120.686 119.914 0.033 0.000 2.427 78 V HA -0.144 3.976 4.120 0.000 0.000 0.248 78 V C 2.006 178.130 176.094 0.049 0.000 1.051 78 V CA 1.481 63.809 62.300 0.048 0.000 1.048 78 V CB -0.732 31.199 31.823 0.180 0.000 0.666 78 V HN 0.511 nan 8.190 nan 0.000 0.456 79 Y N 1.362 121.655 120.300 -0.011 0.000 2.114 79 Y HA -0.202 4.348 4.550 0.000 0.000 0.284 79 Y C 2.622 178.497 175.900 -0.042 0.000 1.143 79 Y CA 1.953 60.051 58.100 -0.003 0.000 1.135 79 Y CB -0.159 38.300 38.460 -0.002 0.000 0.980 79 Y HN 0.198 nan 8.280 nan 0.000 0.499 80 E N 0.256 120.398 120.200 -0.097 0.000 2.153 80 E HA -0.165 4.185 4.350 0.000 0.000 0.194 80 E C 2.334 178.768 176.600 -0.276 0.000 0.988 80 E CA 0.948 57.224 56.400 -0.207 0.000 0.811 80 E CB -0.462 29.197 29.700 -0.069 0.000 0.746 80 E HN 0.598 nan 8.360 nan 0.000 0.466 81 A N 1.142 123.747 122.820 -0.358 0.000 1.877 81 A HA -0.136 4.184 4.320 0.000 0.000 0.216 81 A C 2.369 179.647 177.584 -0.510 0.000 1.186 81 A CA 0.983 52.626 52.037 -0.656 0.000 0.620 81 A CB -0.692 17.526 19.000 -1.303 0.000 0.822 81 A HN 0.172 nan 8.150 nan 0.000 0.443 82 L N -0.756 120.325 121.223 -0.236 0.000 2.017 82 L HA -0.232 4.108 4.340 0.000 0.000 0.208 82 L C 2.633 179.493 176.870 -0.016 0.000 1.073 82 L CA 1.902 56.803 54.840 0.102 0.000 0.745 82 L CB -0.489 41.656 42.059 0.143 0.000 0.894 82 L HN 0.357 nan 8.230 nan 0.000 0.432 83 K N -0.177 120.105 120.400 -0.196 0.000 2.074 83 K HA -0.284 4.036 4.320 0.000 0.000 0.209 83 K C 2.062 178.604 176.600 -0.096 0.000 1.048 83 K CA 1.955 58.123 56.287 -0.198 0.000 0.926 83 K CB -0.165 32.131 32.500 -0.339 0.000 0.713 83 K HN 0.327 nan 8.250 nan 0.000 0.444 84 E N 0.449 120.586 120.200 -0.104 0.000 2.051 84 E HA -0.205 4.145 4.350 0.000 0.000 0.192 84 E C 1.898 178.501 176.600 0.006 0.000 0.991 84 E CA 1.161 57.527 56.400 -0.056 0.000 0.799 84 E CB -0.086 29.564 29.700 -0.083 0.000 0.748 84 E HN 0.334 nan 8.360 nan 0.000 0.449 85 A N 0.712 123.558 122.820 0.043 0.000 2.019 85 A HA -0.091 4.229 4.320 0.000 0.000 0.219 85 A C 2.013 179.666 177.584 0.116 0.000 1.164 85 A CA 0.928 53.027 52.037 0.104 0.000 0.644 85 A CB -0.335 18.777 19.000 0.187 0.000 0.805 85 A HN 0.331 nan 8.150 nan 0.000 0.449 86 L N -1.884 119.414 121.223 0.124 0.000 2.592 86 L HA 0.295 4.635 4.340 0.000 0.000 0.227 86 L C 1.587 178.573 176.870 0.193 0.000 1.127 86 L CA 0.554 55.516 54.840 0.204 0.000 0.884 86 L CB 0.258 42.472 42.059 0.258 0.000 1.065 86 L HN 0.554 nan 8.230 nan 0.000 0.457 87 G N -1.590 107.267 108.800 0.095 0.000 2.336 87 G HA2 -0.082 3.878 3.960 0.000 0.000 0.194 87 G HA3 -0.082 3.878 3.960 0.000 0.000 0.194 87 G C 0.818 175.728 174.900 0.018 0.000 0.999 87 G CA -0.333 44.808 45.100 0.068 0.000 0.669 87 G HN 0.518 nan 8.290 nan 0.000 0.482 88 G N 0.340 109.133 108.800 -0.012 0.000 4.269 88 G HA2 -0.207 3.753 3.960 0.000 0.000 0.290 88 G HA3 -0.207 3.753 3.960 0.000 0.000 0.290 88 G C 0.134 175.009 174.900 -0.042 0.000 1.570 88 G CA 1.044 46.123 45.100 -0.035 0.000 1.072 88 G HN 1.377 nan 8.290 nan 0.000 0.681 89 E N 1.016 121.201 120.200 -0.025 0.000 2.222 89 E HA 0.644 4.994 4.350 0.000 0.000 0.267 89 E C 0.098 176.674 176.600 -0.040 0.000 0.963 89 E CA -0.409 55.979 56.400 -0.021 0.000 0.837 89 E CB 1.753 31.450 29.700 -0.005 0.000 1.183 89 E HN 0.996 nan 8.360 nan 0.000 0.403 90 A N 2.498 125.287 122.820 -0.053 0.000 2.444 90 A HA 0.200 4.520 4.320 0.000 0.000 0.273 90 A C -0.097 177.420 177.584 -0.112 0.000 1.136 90 A CA -0.041 51.908 52.037 -0.147 0.000 0.799 90 A CB -0.069 18.779 19.000 -0.253 0.000 1.081 90 A HN 0.488 nan 8.150 nan 0.000 0.509 91 R N 1.314 121.774 120.500 -0.067 0.000 2.782 91 R HA 0.872 5.212 4.340 0.000 0.000 0.258 91 R C -1.117 175.126 176.300 -0.095 0.000 1.055 91 R CA -0.687 55.398 56.100 -0.025 0.000 1.065 91 R CB 1.389 31.739 30.300 0.082 0.000 1.172 91 R HN 0.661 nan 8.270 nan 0.000 0.510 92 L N 1.555 122.660 121.223 -0.197 0.000 2.549 92 L HA 0.351 4.691 4.340 0.000 0.000 0.259 92 L C -2.340 174.195 176.870 -0.557 0.000 0.934 92 L CA -2.112 52.444 54.840 -0.474 0.000 0.865 92 L CB 2.842 44.734 42.059 -0.278 0.000 1.352 92 L HN 0.533 nan 8.230 nan 0.000 0.410 93 P HA -0.073 nan 4.420 nan 0.000 0.263 93 P C -0.479 176.742 177.300 -0.132 0.000 1.175 93 P CA 0.142 62.868 63.100 -0.623 0.000 0.761 93 P CB 1.156 32.407 31.700 -0.748 0.000 0.794 94 V N 5.456 125.338 119.914 -0.053 0.000 2.455 94 V HA 0.138 4.258 4.120 0.000 0.000 0.273 94 V C 0.339 176.486 176.094 0.089 0.000 1.045 94 V CA -0.436 61.879 62.300 0.025 0.000 0.976 94 V CB -0.212 31.619 31.823 0.014 0.000 0.993 94 V HN 0.336 nan 8.190 nan 0.000 0.475 95 L N 7.048 128.319 121.223 0.079 0.000 2.439 95 L HA 0.505 4.845 4.340 0.000 0.000 0.261 95 L C 0.376 177.262 176.870 0.026 0.000 1.153 95 L CA -0.267 54.602 54.840 0.050 0.000 0.808 95 L CB 0.951 42.998 42.059 -0.020 0.000 1.126 95 L HN 0.670 nan 8.230 nan 0.000 0.460 96 K N -0.181 120.221 120.400 0.003 0.000 1.850 96 K HA 0.289 4.609 4.320 0.000 0.000 0.251 96 K C 0.121 176.705 176.600 -0.027 0.000 0.971 96 K CA -0.845 55.441 56.287 -0.001 0.000 0.853 96 K CB 0.609 33.119 32.500 0.016 0.000 1.870 96 K HN 0.378 nan 8.250 nan 0.000 0.704 97 D N 0.305 120.691 120.400 -0.022 0.000 2.262 97 D HA 0.040 4.680 4.640 0.000 0.000 0.212 97 D C -0.143 176.131 176.300 -0.043 0.000 0.964 97 D CA 1.005 54.987 54.000 -0.030 0.000 0.875 97 D CB 0.552 41.341 40.800 -0.019 0.000 0.996 97 D HN 0.091 nan 8.370 nan 0.000 0.497 98 R N 1.185 121.663 120.500 -0.036 0.000 2.513 98 R HA 0.476 4.816 4.340 0.000 0.000 0.301 98 R C -1.062 175.210 176.300 -0.047 0.000 0.968 98 R CA -0.564 55.510 56.100 -0.045 0.000 0.872 98 R CB 1.330 31.616 30.300 -0.023 0.000 1.177 98 R HN -0.040 nan 8.270 nan 0.000 0.444 99 N N 1.398 120.038 118.700 -0.100 0.000 2.260 99 N HA 0.479 5.219 4.740 0.000 0.000 0.293 99 N C -1.561 173.864 175.510 -0.142 0.000 1.058 99 N CA -0.711 52.265 53.050 -0.123 0.000 0.824 99 N CB 2.221 40.524 38.487 -0.308 0.000 1.551 99 N HN 0.250 nan 8.380 nan 0.000 0.475 100 L N 2.354 123.592 121.223 0.025 0.000 2.415 100 L HA 0.648 4.988 4.340 0.000 0.000 0.268 100 L C -1.910 175.192 176.870 0.388 0.000 0.984 100 L CA -0.419 54.487 54.840 0.111 0.000 0.853 100 L CB 0.414 42.541 42.059 0.113 0.000 1.215 100 L HN 0.514 nan 8.230 nan 0.000 0.419 101 W N 3.917 125.291 121.300 0.124 0.000 2.647 101 W HA 0.561 5.221 4.660 0.000 0.000 0.353 101 W C -0.750 175.985 176.519 0.361 0.000 1.080 101 W CA -1.073 56.375 57.345 0.171 0.000 1.208 101 W CB 1.290 30.834 29.460 0.140 0.000 1.396 101 W HN 0.192 nan 8.180 nan 0.000 0.573 102 F N 1.678 121.786 119.950 0.263 0.000 2.495 102 F HA 0.540 5.067 4.527 0.000 0.000 0.327 102 F C -0.349 175.525 175.800 0.124 0.000 1.103 102 F CA -1.769 56.323 58.000 0.154 0.000 0.949 102 F CB 1.210 40.274 39.000 0.106 0.000 1.142 102 F HN -0.159 nan 8.300 nan 0.000 0.457 103 L N 5.005 126.337 121.223 0.181 0.000 2.294 103 L HA 0.638 4.978 4.340 0.000 0.000 0.283 103 L C -0.744 176.135 176.870 0.015 0.000 1.015 103 L CA -0.817 54.079 54.840 0.093 0.000 0.831 103 L CB 1.337 43.436 42.059 0.067 0.000 1.217 103 L HN 0.412 nan 8.230 nan 0.000 0.420 104 V N 0.319 120.217 119.914 -0.027 0.000 2.960 104 V HA 1.117 5.237 4.120 0.000 0.000 0.315 104 V C 0.070 175.945 176.094 -0.364 0.000 1.087 104 V CA -0.206 62.025 62.300 -0.117 0.000 0.982 104 V CB 1.513 33.314 31.823 -0.037 0.000 1.039 104 V HN 0.834 nan 8.190 nan 0.000 0.437 105 G N 1.161 109.723 108.800 -0.396 0.000 2.343 105 G HA2 0.312 4.273 3.960 0.000 0.000 0.289 105 G HA3 0.312 4.273 3.960 0.000 0.000 0.289 105 G C -1.618 173.274 174.900 -0.014 0.000 1.295 105 G CA -0.876 43.954 45.100 -0.450 0.000 0.869 105 G HN 0.886 nan 8.290 nan 0.000 0.522 106 L N 0.820 122.054 121.223 0.018 0.000 2.418 106 L HA 0.440 4.780 4.340 0.000 0.000 0.265 106 L C 1.077 177.970 176.870 0.038 0.000 1.143 106 L CA -0.581 54.312 54.840 0.088 0.000 0.809 106 L CB 1.472 43.582 42.059 0.085 0.000 1.124 106 L HN 0.719 nan 8.230 nan 0.000 0.456 107 Q N 1.252 121.079 119.800 0.043 0.000 2.289 107 Q HA 0.235 4.575 4.340 0.000 0.000 0.273 107 Q C 0.549 176.559 176.000 0.017 0.000 1.029 107 Q CA 0.737 56.555 55.803 0.024 0.000 0.896 107 Q CB 0.646 29.399 28.738 0.025 0.000 1.182 107 Q HN 0.870 nan 8.270 nan 0.000 0.385 108 G N 2.615 111.420 108.800 0.008 0.000 2.140 108 G HA2 -0.234 3.726 3.960 0.000 0.000 0.211 108 G HA3 -0.234 3.726 3.960 0.000 0.000 0.211 108 G C 0.279 175.180 174.900 0.002 0.000 1.013 108 G CA 0.310 45.414 45.100 0.006 0.000 0.705 108 G HN 0.793 nan 8.290 nan 0.000 0.508 109 S N -1.408 114.289 115.700 -0.006 0.000 2.540 109 S HA 0.495 4.965 4.470 0.000 0.000 0.222 109 S C 1.863 176.452 174.600 -0.018 0.000 1.008 109 S CA 1.093 59.284 58.200 -0.015 0.000 0.939 109 S CB 0.973 64.154 63.200 -0.032 0.000 0.865 109 S HN 2.257 nan 8.310 nan 0.000 0.499 110 G N 2.014 110.806 108.800 -0.013 0.000 2.131 110 G HA2 -0.281 3.679 3.960 0.000 0.000 0.223 110 G HA3 -0.281 3.679 3.960 0.000 0.000 0.223 110 G C 0.596 175.485 174.900 -0.019 0.000 0.990 110 G CA 0.427 45.519 45.100 -0.013 0.000 0.671 110 G HN 0.490 nan 8.290 nan 0.000 0.521 111 K N -0.224 120.163 120.400 -0.023 0.000 1.973 111 K HA -0.088 4.232 4.320 0.000 0.000 0.212 111 K C 2.599 179.189 176.600 -0.016 0.000 1.047 111 K CA 2.105 58.376 56.287 -0.025 0.000 0.937 111 K CB -0.393 32.087 32.500 -0.032 0.000 0.721 111 K HN 0.281 nan 8.250 nan 0.000 0.440 112 T N 0.585 115.131 114.554 -0.013 0.000 2.665 112 T HA -0.153 4.197 4.350 0.000 0.000 0.268 112 T C 1.805 176.500 174.700 -0.009 0.000 1.035 112 T CA 2.058 64.153 62.100 -0.010 0.000 1.151 112 T CB -0.477 68.386 68.868 -0.008 0.000 0.862 112 T HN 0.411 nan 8.240 nan 0.000 0.438 113 T N 1.587 116.135 114.554 -0.009 0.000 2.674 113 T HA -0.120 4.230 4.350 0.000 0.000 0.265 113 T C 2.295 176.985 174.700 -0.016 0.000 1.039 113 T CA 1.710 63.804 62.100 -0.010 0.000 1.150 113 T CB -0.873 67.991 68.868 -0.008 0.000 0.864 113 T HN 0.364 nan 8.240 nan 0.000 0.427 114 T N 1.980 116.520 114.554 -0.023 0.000 2.737 114 T HA -0.129 4.221 4.350 0.000 0.000 0.269 114 T C 2.297 176.974 174.700 -0.038 0.000 1.040 114 T CA 1.219 63.294 62.100 -0.042 0.000 1.142 114 T CB -0.615 68.229 68.868 -0.041 0.000 0.861 114 T HN 0.455 nan 8.240 nan 0.000 0.456 115 A N 1.500 124.313 122.820 -0.012 0.000 1.851 115 A HA 0.032 4.352 4.320 0.000 0.000 0.216 115 A C 2.670 180.258 177.584 0.005 0.000 1.195 115 A CA 2.169 54.211 52.037 0.009 0.000 0.622 115 A CB -1.316 17.690 19.000 0.010 0.000 0.831 115 A HN 0.535 nan 8.150 nan 0.000 0.444 116 A N -0.474 122.345 122.820 -0.002 0.000 1.858 116 A HA -0.179 4.141 4.320 0.000 0.000 0.216 116 A C 2.124 179.707 177.584 -0.001 0.000 1.190 116 A CA 1.901 53.939 52.037 0.001 0.000 0.617 116 A CB -0.548 18.451 19.000 -0.001 0.000 0.827 116 A HN 0.536 nan 8.150 nan 0.000 0.443 117 K N -1.063 119.329 120.400 -0.015 0.000 2.152 117 K HA -0.144 4.176 4.320 0.000 0.000 0.206 117 K C 1.854 178.435 176.600 -0.031 0.000 1.048 117 K CA 1.296 57.572 56.287 -0.019 0.000 0.933 117 K CB -0.329 32.150 32.500 -0.035 0.000 0.721 117 K HN 0.342 nan 8.250 nan 0.000 0.447 118 L N 0.878 122.059 121.223 -0.071 0.000 2.027 118 L HA -0.106 4.234 4.340 0.000 0.000 0.206 118 L C 2.251 179.159 176.870 0.063 0.000 1.074 118 L CA 1.729 56.506 54.840 -0.104 0.000 0.745 118 L CB -0.935 41.059 42.059 -0.109 0.000 0.898 118 L HN 0.118 nan 8.230 nan 0.000 0.433 119 A N -0.437 122.422 122.820 0.066 0.000 1.849 119 A HA -0.287 4.033 4.320 0.000 0.000 0.217 119 A C 2.250 179.874 177.584 0.067 0.000 1.202 119 A CA 2.301 54.384 52.037 0.076 0.000 0.629 119 A CB -1.333 17.686 19.000 0.033 0.000 0.834 119 A HN 0.473 nan 8.150 nan 0.000 0.447 120 L N -1.443 119.803 121.223 0.039 0.000 2.129 120 L HA -0.208 4.132 4.340 0.000 0.000 0.212 120 L C 2.253 179.132 176.870 0.014 0.000 1.087 120 L CA 2.705 57.559 54.840 0.023 0.000 0.757 120 L CB -0.980 41.092 42.059 0.022 0.000 0.896 120 L HN 0.541 nan 8.230 nan 0.000 0.434 121 Y N -0.663 119.587 120.300 -0.085 0.000 2.089 121 Y HA -0.295 4.255 4.550 0.000 0.000 0.282 121 Y C 2.305 178.120 175.900 -0.142 0.000 1.139 121 Y CA 2.136 60.147 58.100 -0.149 0.000 1.123 121 Y CB -0.897 37.391 38.460 -0.287 0.000 0.980 121 Y HN 0.269 nan 8.280 nan 0.000 0.493 122 Y N 0.613 120.867 120.300 -0.077 0.000 2.333 122 Y HA -0.209 4.341 4.550 0.000 0.000 0.290 122 Y C 2.683 178.478 175.900 -0.175 0.000 1.144 122 Y CA 1.529 59.531 58.100 -0.164 0.000 1.228 122 Y CB -0.176 38.270 38.460 -0.023 0.000 0.985 122 Y HN 0.135 nan 8.280 nan 0.000 0.542 123 K N 0.270 120.674 120.400 0.005 0.000 2.026 123 K HA -0.136 4.184 4.320 0.000 0.000 0.208 123 K C 2.230 178.791 176.600 -0.065 0.000 1.048 123 K CA 1.336 57.611 56.287 -0.020 0.000 0.929 123 K CB -0.607 31.884 32.500 -0.014 0.000 0.713 123 K HN 0.342 nan 8.250 nan 0.000 0.439 124 G N 0.783 109.512 108.800 -0.118 0.000 2.615 124 G HA2 -0.179 3.781 3.960 0.000 0.000 0.213 124 G HA3 -0.179 3.781 3.960 0.000 0.000 0.213 124 G C 0.952 175.764 174.900 -0.147 0.000 1.135 124 G CA 0.463 45.486 45.100 -0.128 0.000 0.772 124 G HN 0.290 nan 8.290 nan 0.000 0.542 125 K N -0.609 119.697 120.400 -0.157 0.000 2.438 125 K HA 0.311 4.631 4.320 0.000 0.000 0.205 125 K C 1.402 177.982 176.600 -0.034 0.000 1.033 125 K CA 0.382 56.605 56.287 -0.107 0.000 1.089 125 K CB 1.242 33.651 32.500 -0.152 0.000 0.857 125 K HN 0.271 nan 8.250 nan 0.000 0.522 126 G N 1.472 110.253 108.800 -0.032 0.000 2.491 126 G HA2 -0.209 3.751 3.960 0.000 0.000 0.203 126 G HA3 -0.209 3.751 3.960 0.000 0.000 0.203 126 G C 0.132 175.018 174.900 -0.023 0.000 1.052 126 G CA -0.657 44.431 45.100 -0.021 0.000 0.675 126 G HN 0.100 nan 8.290 nan 0.000 0.504 127 R N 0.990 121.478 120.500 -0.019 0.000 2.817 127 R HA 0.296 4.636 4.340 0.000 0.000 0.264 127 R C 0.293 176.567 176.300 -0.043 0.000 1.009 127 R CA 0.276 56.349 56.100 -0.046 0.000 1.133 127 R CB -0.011 30.244 30.300 -0.074 0.000 1.013 127 R HN 0.501 nan 8.270 nan 0.000 0.453 128 R N 2.127 122.591 120.500 -0.060 0.000 2.396 128 R HA 0.296 4.636 4.340 0.000 0.000 0.292 128 R C -2.273 173.989 176.300 -0.064 0.000 1.240 128 R CA -1.809 54.261 56.100 -0.049 0.000 1.270 128 R CB 1.183 31.457 30.300 -0.043 0.000 1.108 128 R HN 0.332 nan 8.270 nan 0.000 0.573 129 P HA 0.086 nan 4.420 nan 0.000 0.272 129 P C -1.008 176.263 177.300 -0.047 0.000 1.223 129 P CA -0.508 62.554 63.100 -0.063 0.000 0.784 129 P CB 0.700 32.383 31.700 -0.029 0.000 0.923 130 L N 2.814 124.007 121.223 -0.051 0.000 2.482 130 L HA 0.407 4.747 4.340 0.000 0.000 0.269 130 L C -1.506 175.351 176.870 -0.022 0.000 0.967 130 L CA -0.345 54.476 54.840 -0.032 0.000 0.851 130 L CB 0.859 42.899 42.059 -0.032 0.000 1.242 130 L HN 0.169 nan 8.230 nan 0.000 0.404 131 L N 4.993 126.209 121.223 -0.012 0.000 2.399 131 L HA 0.710 5.050 4.340 0.000 0.000 0.266 131 L C -0.631 176.235 176.870 -0.006 0.000 1.114 131 L CA -0.859 53.978 54.840 -0.005 0.000 0.804 131 L CB 1.715 43.772 42.059 -0.003 0.000 1.146 131 L HN 0.398 nan 8.230 nan 0.000 0.451 132 V N 1.688 121.597 119.914 -0.008 0.000 2.524 132 V HA 0.407 4.527 4.120 0.000 0.000 0.297 132 V C -0.075 176.001 176.094 -0.030 0.000 1.035 132 V CA -0.676 61.615 62.300 -0.015 0.000 0.867 132 V CB 1.673 33.489 31.823 -0.012 0.000 1.004 132 V HN 0.813 nan 8.190 nan 0.000 0.426 133 A N 3.636 126.441 122.820 -0.026 0.000 2.506 133 A HA 0.690 5.010 4.320 0.000 0.000 0.320 133 A C 1.046 178.607 177.584 -0.039 0.000 1.424 133 A CA 0.264 52.282 52.037 -0.031 0.000 1.044 133 A CB 0.481 19.469 19.000 -0.020 0.000 1.140 133 A HN 1.333 nan 8.150 nan 0.000 0.538 134 A N 2.271 125.053 122.820 -0.064 0.000 2.327 134 A HA 0.186 4.506 4.320 0.000 0.000 0.228 134 A C 0.580 178.131 177.584 -0.056 0.000 1.275 134 A CA -0.013 51.981 52.037 -0.071 0.000 0.875 134 A CB -0.207 18.715 19.000 -0.130 0.000 0.925 134 A HN 0.682 nan 8.150 nan 0.000 0.493 135 D N 1.132 121.508 120.400 -0.040 0.000 2.336 135 D HA 0.096 4.736 4.640 0.000 0.000 0.249 135 D C 1.214 177.504 176.300 -0.017 0.000 1.213 135 D CA 0.737 54.722 54.000 -0.026 0.000 0.870 135 D CB 0.992 41.781 40.800 -0.018 0.000 1.076 135 D HN 0.260 nan 8.370 nan 0.000 0.483 136 T N 0.535 115.081 114.554 -0.013 0.000 3.169 136 T HA 0.049 4.399 4.350 0.000 0.000 0.250 136 T C 1.223 175.921 174.700 -0.004 0.000 1.111 136 T CA 0.394 62.490 62.100 -0.007 0.000 1.010 136 T CB 0.281 69.147 68.868 -0.004 0.000 0.984 136 T HN 0.376 nan 8.240 nan 0.000 0.537 137 Q N 0.072 119.870 119.800 -0.004 0.000 2.431 137 Q HA 0.306 4.646 4.340 0.000 0.000 0.244 137 Q C 0.615 176.614 176.000 -0.001 0.000 0.880 137 Q CA -0.008 55.794 55.803 -0.001 0.000 0.954 137 Q CB 0.792 29.531 28.738 0.000 0.000 1.105 137 Q HN 0.308 nan 8.270 nan 0.000 0.558 138 R N 0.953 121.452 120.500 -0.002 0.000 2.287 138 R HA 0.196 4.536 4.340 0.000 0.000 0.316 138 R C -2.156 174.142 176.300 -0.003 0.000 1.050 138 R CA -1.711 54.388 56.100 -0.001 0.000 0.983 138 R CB 1.119 31.419 30.300 -0.000 0.000 1.140 138 R HN 0.029 nan 8.270 nan 0.000 0.528 139 P HA -0.193 nan 4.420 nan 0.000 0.215 139 P C 1.103 178.401 177.300 -0.002 0.000 1.157 139 P CA 1.192 64.290 63.100 -0.003 0.000 0.868 139 P CB 0.297 31.996 31.700 -0.001 0.000 0.788 140 A N 0.003 122.822 122.820 -0.001 0.000 1.958 140 A HA -0.261 4.060 4.320 0.000 0.000 0.221 140 A C 2.304 179.888 177.584 -0.002 0.000 1.178 140 A CA 2.561 54.597 52.037 -0.001 0.000 0.642 140 A CB -1.678 17.323 19.000 0.001 0.000 0.816 140 A HN 0.234 nan 8.150 nan 0.000 0.453 141 A N -0.378 122.440 122.820 -0.002 0.000 1.845 141 A HA -0.159 4.161 4.320 0.000 0.000 0.215 141 A C 2.204 179.785 177.584 -0.006 0.000 1.195 141 A CA 1.520 53.555 52.037 -0.004 0.000 0.616 141 A CB -0.589 18.408 19.000 -0.004 0.000 0.832 141 A HN 0.552 nan 8.150 nan 0.000 0.443 142 R N -0.609 119.887 120.500 -0.007 0.000 2.113 142 R HA -0.246 4.094 4.340 0.000 0.000 0.244 142 R C 2.265 178.561 176.300 -0.006 0.000 1.142 142 R CA 1.830 57.925 56.100 -0.009 0.000 0.953 142 R CB -0.500 29.794 30.300 -0.009 0.000 0.860 142 R HN 0.785 nan 8.270 nan 0.000 0.438 143 E N 0.376 120.573 120.200 -0.004 0.000 2.097 143 E HA -0.248 4.102 4.350 0.000 0.000 0.196 143 E C 2.075 178.673 176.600 -0.003 0.000 1.000 143 E CA 1.377 57.775 56.400 -0.003 0.000 0.804 143 E CB 0.163 29.862 29.700 -0.002 0.000 0.740 143 E HN 0.266 nan 8.360 nan 0.000 0.454 144 Q N 0.056 119.854 119.800 -0.003 0.000 2.096 144 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 144 Q C 2.303 178.301 176.000 -0.003 0.000 0.982 144 Q CA 0.944 56.745 55.803 -0.003 0.000 0.850 144 Q CB -0.526 28.210 28.738 -0.002 0.000 0.901 144 Q HN 0.310 nan 8.270 nan 0.000 0.422 145 L N 1.073 122.293 121.223 -0.005 0.000 2.056 145 L HA -0.095 4.245 4.340 0.000 0.000 0.207 145 L C 2.525 179.392 176.870 -0.004 0.000 1.078 145 L CA 1.598 56.435 54.840 -0.005 0.000 0.749 145 L CB -0.528 41.526 42.059 -0.008 0.000 0.901 145 L HN 0.109 nan 8.230 nan 0.000 0.433 146 R N -0.349 120.148 120.500 -0.005 0.000 2.094 146 R HA -0.204 4.136 4.340 0.000 0.000 0.239 146 R C 2.198 178.496 176.300 -0.003 0.000 1.137 146 R CA 2.303 58.400 56.100 -0.004 0.000 0.943 146 R CB -0.547 29.751 30.300 -0.004 0.000 0.850 146 R HN 0.448 nan 8.270 nan 0.000 0.433 147 L N 0.707 121.929 121.223 -0.002 0.000 2.046 147 L HA -0.208 4.132 4.340 0.000 0.000 0.208 147 L C 2.627 179.496 176.870 -0.001 0.000 1.077 147 L CA 1.229 56.068 54.840 -0.001 0.000 0.747 147 L CB -0.617 41.442 42.059 -0.001 0.000 0.896 147 L HN 0.277 nan 8.230 nan 0.000 0.432 148 L N -0.065 121.157 121.223 -0.001 0.000 2.083 148 L HA -0.133 4.207 4.340 0.000 0.000 0.209 148 L C 2.707 179.577 176.870 -0.000 0.000 1.083 148 L CA 1.362 56.202 54.840 -0.000 0.000 0.752 148 L CB -1.045 41.013 42.059 -0.001 0.000 0.899 148 L HN 0.298 nan 8.230 nan 0.000 0.433 149 G N -0.637 108.162 108.800 -0.001 0.000 2.404 149 G HA2 -0.205 3.755 3.960 0.000 0.000 0.215 149 G HA3 -0.205 3.755 3.960 0.000 0.000 0.215 149 G C 1.425 176.324 174.900 -0.001 0.000 1.174 149 G CA 0.400 45.499 45.100 -0.001 0.000 0.780 149 G HN 0.386 nan 8.290 nan 0.000 0.537 150 E N 0.134 120.333 120.200 -0.002 0.000 2.118 150 E HA -0.161 4.189 4.350 0.000 0.000 0.195 150 E C 2.330 178.930 176.600 -0.001 0.000 0.992 150 E CA 1.036 57.435 56.400 -0.002 0.000 0.804 150 E CB -0.082 29.617 29.700 -0.001 0.000 0.741 150 E HN 0.463 nan 8.360 nan 0.000 0.458 151 K N 1.041 121.442 120.400 0.000 0.000 2.057 151 K HA -0.109 4.211 4.320 0.000 0.000 0.206 151 K C 2.090 178.691 176.600 0.002 0.000 1.050 151 K CA 1.413 57.701 56.287 0.001 0.000 0.935 151 K CB 0.143 32.644 32.500 0.002 0.000 0.715 151 K HN 0.113 nan 8.250 nan 0.000 0.439 152 V N -2.309 117.606 119.914 0.002 0.000 3.461 152 V HA 0.252 4.372 4.120 0.000 0.000 0.267 152 V C 0.830 176.925 176.094 0.000 0.000 1.186 152 V CA 0.503 62.805 62.300 0.003 0.000 1.154 152 V CB -0.545 31.281 31.823 0.005 0.000 0.802 152 V HN 0.422 nan 8.190 nan 0.000 0.474 153 G N -0.033 108.767 108.800 -0.001 0.000 2.289 153 G HA2 -0.144 3.816 3.960 0.000 0.000 0.280 153 G HA3 -0.144 3.816 3.960 0.000 0.000 0.280 153 G C -0.285 174.612 174.900 -0.005 0.000 1.089 153 G CA 0.155 45.253 45.100 -0.003 0.000 0.939 153 G HN 0.925 nan 8.290 nan 0.000 0.499 154 V N 1.196 121.108 119.914 -0.004 0.000 2.789 154 V HA 0.692 4.812 4.120 0.000 0.000 0.311 154 V C -1.679 174.411 176.094 -0.007 0.000 1.073 154 V CA -1.518 60.778 62.300 -0.006 0.000 0.921 154 V CB 2.528 34.349 31.823 -0.004 0.000 1.009 154 V HN 0.270 nan 8.190 nan 0.000 0.426 155 P HA 0.370 nan 4.420 nan 0.000 0.274 155 P C -1.210 176.085 177.300 -0.008 0.000 1.237 155 P CA -0.131 62.964 63.100 -0.009 0.000 0.793 155 P CB 1.573 33.267 31.700 -0.010 0.000 0.977 156 V N 2.556 122.466 119.914 -0.007 0.000 2.760 156 V HA 0.282 4.402 4.120 0.000 0.000 0.309 156 V C -0.251 175.839 176.094 -0.006 0.000 1.077 156 V CA -0.722 61.574 62.300 -0.007 0.000 0.910 156 V CB 1.966 33.786 31.823 -0.006 0.000 1.008 156 V HN 0.403 nan 8.190 nan 0.000 0.424 157 L N 4.294 125.513 121.223 -0.007 0.000 2.294 157 L HA 0.575 4.915 4.340 0.000 0.000 0.283 157 L C 0.043 176.909 176.870 -0.007 0.000 1.015 157 L CA 0.274 55.111 54.840 -0.005 0.000 0.831 157 L CB 1.186 43.243 42.059 -0.003 0.000 1.217 157 L HN 0.681 nan 8.230 nan 0.000 0.420 158 E N 3.744 123.940 120.200 -0.007 0.000 2.283 158 E HA 0.402 4.752 4.350 0.000 0.000 0.278 158 E C -0.294 176.302 176.600 -0.007 0.000 1.027 158 E CA -0.635 55.760 56.400 -0.008 0.000 0.843 158 E CB 1.742 31.439 29.700 -0.007 0.000 1.062 158 E HN 0.574 nan 8.360 nan 0.000 0.401 159 V N 0.368 120.276 119.914 -0.010 0.000 3.336 159 V HA 0.419 4.539 4.120 0.000 0.000 0.304 159 V C 0.152 176.243 176.094 -0.005 0.000 1.073 159 V CA -0.766 61.530 62.300 -0.007 0.000 1.074 159 V CB 0.721 32.538 31.823 -0.010 0.000 1.161 159 V HN 0.591 nan 8.190 nan 0.000 0.460 160 M N 0.570 120.169 119.600 -0.002 0.000 2.578 160 M HA 0.441 4.921 4.480 0.000 0.000 0.321 160 M C -0.737 175.563 176.300 -0.001 0.000 1.182 160 M CA -0.798 54.501 55.300 -0.001 0.000 0.965 160 M CB 1.420 34.020 32.600 0.000 0.000 1.694 160 M HN 0.660 nan 8.290 nan 0.000 0.461 161 D N 1.748 122.147 120.400 -0.001 0.000 2.586 161 D HA 0.086 4.726 4.640 0.000 0.000 0.234 161 D C 1.242 177.543 176.300 0.001 0.000 1.132 161 D CA 1.602 55.602 54.000 -0.000 0.000 0.860 161 D CB 0.379 41.179 40.800 0.000 0.000 1.159 161 D HN 0.925 nan 8.370 nan 0.000 0.490 162 G N 2.466 111.267 108.800 0.001 0.000 2.186 162 G HA2 -0.381 3.579 3.960 0.000 0.000 0.266 162 G HA3 -0.381 3.579 3.960 0.000 0.000 0.266 162 G C 0.452 175.354 174.900 0.005 0.000 0.982 162 G CA 0.715 45.816 45.100 0.003 0.000 0.670 162 G HN 0.650 nan 8.290 nan 0.000 0.533 163 E N 1.038 121.241 120.200 0.004 0.000 2.437 163 E HA 0.382 4.732 4.350 0.000 0.000 0.263 163 E C 1.174 177.780 176.600 0.010 0.000 1.030 163 E CA 0.371 56.775 56.400 0.006 0.000 0.934 163 E CB 0.260 29.963 29.700 0.006 0.000 0.943 163 E HN 0.567 nan 8.360 nan 0.000 0.444 164 S N 4.030 119.738 115.700 0.013 0.000 2.601 164 S HA 0.229 4.699 4.470 0.000 0.000 0.271 164 S C -1.683 172.931 174.600 0.023 0.000 1.305 164 S CA -1.202 57.008 58.200 0.017 0.000 1.022 164 S CB 1.484 64.693 63.200 0.016 0.000 0.940 164 S HN 0.458 nan 8.310 nan 0.000 0.525 165 P HA -0.144 nan 4.420 nan 0.000 0.215 165 P C 0.800 178.126 177.300 0.044 0.000 1.153 165 P CA 1.370 64.497 63.100 0.045 0.000 0.853 165 P CB 0.019 31.752 31.700 0.056 0.000 0.788 166 E N 0.070 120.291 120.200 0.035 0.000 2.153 166 E HA -0.119 4.231 4.350 0.000 0.000 0.194 166 E C 2.370 178.986 176.600 0.027 0.000 0.988 166 E CA 1.336 57.755 56.400 0.031 0.000 0.811 166 E CB -0.901 28.813 29.700 0.024 0.000 0.746 166 E HN 0.220 nan 8.360 nan 0.000 0.466 167 S N 0.113 115.827 115.700 0.023 0.000 2.355 167 S HA -0.121 4.349 4.470 0.000 0.000 0.222 167 S C 1.934 176.547 174.600 0.022 0.000 1.031 167 S CA 0.935 59.147 58.200 0.019 0.000 0.993 167 S CB -0.259 62.950 63.200 0.015 0.000 0.859 167 S HN 0.218 nan 8.310 nan 0.000 0.453 168 I N 1.774 122.360 120.570 0.025 0.000 2.151 168 I HA -0.237 3.933 4.170 0.000 0.000 0.243 168 I C 2.816 178.956 176.117 0.037 0.000 1.080 168 I CA 1.786 63.103 61.300 0.028 0.000 1.339 168 I CB -0.585 37.433 38.000 0.031 0.000 1.039 168 I HN 0.399 nan 8.210 nan 0.000 0.409 169 R N 1.357 121.885 120.500 0.046 0.000 2.112 169 R HA -0.262 4.078 4.340 0.000 0.000 0.242 169 R C 2.534 178.855 176.300 0.035 0.000 1.137 169 R CA 2.028 58.158 56.100 0.050 0.000 0.944 169 R CB -0.366 29.962 30.300 0.047 0.000 0.857 169 R HN 0.260 nan 8.270 nan 0.000 0.435 170 R N 0.083 120.598 120.500 0.027 0.000 2.075 170 R HA -0.106 4.234 4.340 0.000 0.000 0.230 170 R C 2.469 178.779 176.300 0.017 0.000 1.140 170 R CA 1.675 57.786 56.100 0.019 0.000 0.928 170 R CB -0.265 30.044 30.300 0.016 0.000 0.834 170 R HN 0.259 nan 8.270 nan 0.000 0.429 171 R N 0.127 120.636 120.500 0.016 0.000 2.119 171 R HA -0.166 4.174 4.340 0.000 0.000 0.246 171 R C 2.250 178.558 176.300 0.012 0.000 1.146 171 R CA 1.818 57.925 56.100 0.012 0.000 0.962 171 R CB -0.712 29.594 30.300 0.011 0.000 0.863 171 R HN 0.217 nan 8.270 nan 0.000 0.442 172 V N 1.105 121.030 119.914 0.018 0.000 2.229 172 V HA -0.187 3.933 4.120 0.000 0.000 0.243 172 V C 2.021 178.125 176.094 0.016 0.000 1.042 172 V CA 1.737 64.049 62.300 0.019 0.000 1.000 172 V CB -0.519 31.325 31.823 0.035 0.000 0.637 172 V HN 0.346 nan 8.190 nan 0.000 0.446 173 E N -0.213 119.999 120.200 0.020 0.000 2.472 173 E HA -0.225 4.125 4.350 0.000 0.000 0.200 173 E C 2.042 178.646 176.600 0.007 0.000 1.046 173 E CA 0.885 57.293 56.400 0.014 0.000 0.871 173 E CB 0.033 29.744 29.700 0.018 0.000 0.806 173 E HN 0.733 nan 8.360 nan 0.000 0.533 174 E N 1.539 121.743 120.200 0.007 0.000 2.102 174 E HA -0.118 4.232 4.350 0.000 0.000 0.190 174 E C 2.061 178.661 176.600 0.000 0.000 0.971 174 E CA 0.453 56.855 56.400 0.003 0.000 0.821 174 E CB 0.195 29.898 29.700 0.005 0.000 0.777 174 E HN -0.002 nan 8.360 nan 0.000 0.460 175 K N 0.361 120.761 120.400 0.000 0.000 2.097 175 K HA -0.048 4.272 4.320 0.000 0.000 0.205 175 K C 1.994 178.590 176.600 -0.007 0.000 1.050 175 K CA 1.092 57.377 56.287 -0.003 0.000 0.938 175 K CB -0.117 32.381 32.500 -0.003 0.000 0.718 175 K HN 0.134 nan 8.250 nan 0.000 0.442 176 A N 1.503 124.318 122.820 -0.008 0.000 1.902 176 A HA -0.169 4.151 4.320 0.000 0.000 0.217 176 A C 2.172 179.747 177.584 -0.016 0.000 1.181 176 A CA 1.481 53.509 52.037 -0.015 0.000 0.623 176 A CB -0.554 18.436 19.000 -0.016 0.000 0.818 176 A HN 0.375 nan 8.150 nan 0.000 0.443 177 R N -0.332 120.162 120.500 -0.010 0.000 2.070 177 R HA -0.071 4.269 4.340 0.000 0.000 0.232 177 R C 2.096 178.391 176.300 -0.010 0.000 1.138 177 R CA 1.704 57.798 56.100 -0.010 0.000 0.936 177 R CB -0.464 29.832 30.300 -0.005 0.000 0.839 177 R HN 0.522 nan 8.270 nan 0.000 0.429 178 L N 0.344 121.562 121.223 -0.008 0.000 2.042 178 L HA -0.177 4.163 4.340 0.000 0.000 0.210 178 L C 2.033 178.897 176.870 -0.009 0.000 1.076 178 L CA 1.597 56.433 54.840 -0.007 0.000 0.749 178 L CB -0.390 41.665 42.059 -0.005 0.000 0.893 178 L HN 0.332 nan 8.230 nan 0.000 0.432 179 E N -0.347 119.847 120.200 -0.011 0.000 2.478 179 E HA 0.153 4.503 4.350 0.000 0.000 0.194 179 E C 0.665 177.255 176.600 -0.017 0.000 1.045 179 E CA 0.434 56.825 56.400 -0.013 0.000 0.868 179 E CB 0.274 29.966 29.700 -0.013 0.000 0.885 179 E HN 0.421 nan 8.360 nan 0.000 0.505 180 A N 2.226 125.034 122.820 -0.019 0.000 2.632 180 A HA -0.172 4.148 4.320 0.000 0.000 0.294 180 A C -0.468 177.096 177.584 -0.032 0.000 1.447 180 A CA 0.417 52.440 52.037 -0.024 0.000 0.728 180 A CB -1.198 17.789 19.000 -0.021 0.000 1.102 180 A HN 0.080 nan 8.150 nan 0.000 0.422 181 R N 0.672 121.150 120.500 -0.037 0.000 2.229 181 R HA 0.383 4.723 4.340 0.000 0.000 0.332 181 R C 0.337 176.595 176.300 -0.069 0.000 0.989 181 R CA -0.118 55.951 56.100 -0.051 0.000 0.842 181 R CB 1.028 31.300 30.300 -0.047 0.000 1.119 181 R HN 0.654 nan 8.270 nan 0.000 0.456 182 D N 1.376 121.723 120.400 -0.089 0.000 2.349 182 D HA 0.021 4.661 4.640 0.000 0.000 0.214 182 D C 0.074 176.263 176.300 -0.185 0.000 1.063 182 D CA -0.097 53.835 54.000 -0.113 0.000 0.847 182 D CB 0.288 41.028 40.800 -0.101 0.000 0.933 182 D HN 0.127 nan 8.370 nan 0.000 0.513 183 L N 0.999 122.094 121.223 -0.213 0.000 2.446 183 L HA 0.440 4.780 4.340 0.000 0.000 0.268 183 L C -1.599 175.120 176.870 -0.251 0.000 0.975 183 L CA -0.859 53.772 54.840 -0.348 0.000 0.848 183 L CB 1.612 43.414 42.059 -0.428 0.000 1.225 183 L HN -0.064 nan 8.230 nan 0.000 0.410 184 I N 6.242 126.670 120.570 -0.236 0.000 2.328 184 I HA 0.344 4.514 4.170 0.000 0.000 0.287 184 I C -0.651 175.433 176.117 -0.054 0.000 1.012 184 I CA -0.536 60.703 61.300 -0.102 0.000 1.195 184 I CB 1.244 39.227 38.000 -0.029 0.000 1.350 184 I HN 0.412 nan 8.210 nan 0.000 0.464 185 L N 7.301 128.514 121.223 -0.017 0.000 2.264 185 L HA 0.432 4.772 4.340 0.000 0.000 0.287 185 L C -0.378 176.533 176.870 0.069 0.000 1.039 185 L CA -0.783 54.097 54.840 0.068 0.000 0.829 185 L CB 1.296 43.390 42.059 0.059 0.000 1.211 185 L HN 0.309 nan 8.230 nan 0.000 0.427 186 V N 1.742 121.719 119.914 0.105 0.000 2.364 186 V HA 0.107 4.227 4.120 0.000 0.000 0.272 186 V C -0.050 176.000 176.094 -0.073 0.000 1.036 186 V CA -0.482 61.809 62.300 -0.016 0.000 0.880 186 V CB 1.514 33.268 31.823 -0.115 0.000 0.991 186 V HN 0.635 nan 8.190 nan 0.000 0.460 187 D N 4.489 124.847 120.400 -0.070 0.000 2.393 187 D HA 0.276 4.916 4.640 0.000 0.000 0.232 187 D C 0.732 176.963 176.300 -0.114 0.000 1.192 187 D CA -0.150 53.812 54.000 -0.064 0.000 0.882 187 D CB 0.898 41.678 40.800 -0.033 0.000 1.038 187 D HN 0.714 nan 8.370 nan 0.000 0.499 188 T N 0.875 115.340 114.554 -0.149 0.000 2.788 188 T HA 0.546 4.896 4.350 0.000 0.000 0.287 188 T C 0.741 175.405 174.700 -0.061 0.000 1.007 188 T CA -0.760 61.244 62.100 -0.160 0.000 1.005 188 T CB 0.994 69.759 68.868 -0.172 0.000 1.012 188 T HN 0.455 nan 8.240 nan 0.000 0.530 189 A N 0.228 123.026 122.820 -0.037 0.000 2.520 189 A HA 0.547 4.867 4.320 0.000 0.000 0.235 189 A C 0.754 178.357 177.584 0.032 0.000 1.065 189 A CA -0.034 52.002 52.037 -0.002 0.000 0.764 189 A CB -0.714 18.289 19.000 0.005 0.000 1.002 189 A HN 1.396 nan 8.150 nan 0.000 0.502 190 G N 1.719 110.537 108.800 0.029 0.000 2.643 190 G HA2 0.609 4.569 3.960 0.000 0.000 0.305 190 G HA3 0.609 4.569 3.960 0.000 0.000 0.305 190 G C -0.595 174.331 174.900 0.043 0.000 1.387 190 G CA -0.658 44.471 45.100 0.048 0.000 0.982 190 G HN 0.667 nan 8.290 nan 0.000 0.501 191 R N 1.548 122.082 120.500 0.058 0.000 2.869 191 R HA 0.415 4.755 4.340 0.000 0.000 0.263 191 R C 0.709 177.036 176.300 0.045 0.000 1.066 191 R CA -0.998 55.126 56.100 0.040 0.000 0.960 191 R CB 1.317 31.636 30.300 0.030 0.000 1.221 191 R HN 0.417 nan 8.270 nan 0.000 0.474 192 L N 0.838 122.080 121.223 0.031 0.000 2.599 192 L HA 0.025 4.365 4.340 0.000 0.000 0.230 192 L C -0.162 176.726 176.870 0.030 0.000 1.141 192 L CA 0.765 55.623 54.840 0.030 0.000 0.877 192 L CB -0.245 41.827 42.059 0.021 0.000 1.009 192 L HN 0.407 nan 8.230 nan 0.000 0.447 193 Q N -0.857 118.959 119.800 0.027 0.000 2.648 193 Q HA 0.493 4.833 4.340 0.000 0.000 0.300 193 Q C -1.016 174.986 176.000 0.003 0.000 0.954 193 Q CA -0.714 55.099 55.803 0.016 0.000 0.757 193 Q CB 1.824 30.566 28.738 0.005 0.000 1.482 193 Q HN -0.152 nan 8.270 nan 0.000 0.437 194 I N 2.232 122.787 120.570 -0.024 0.000 2.312 194 I HA 0.339 4.509 4.170 0.000 0.000 0.291 194 I C -0.956 175.122 176.117 -0.066 0.000 1.031 194 I CA -0.488 60.768 61.300 -0.074 0.000 1.293 194 I CB 0.147 38.079 38.000 -0.113 0.000 1.403 194 I HN 0.646 nan 8.210 nan 0.000 0.484 195 D N 4.311 124.671 120.400 -0.066 0.000 2.498 195 D HA 0.290 4.930 4.640 0.000 0.000 0.247 195 D C 0.742 177.006 176.300 -0.059 0.000 1.070 195 D CA -0.646 53.325 54.000 -0.049 0.000 0.842 195 D CB 1.807 42.590 40.800 -0.028 0.000 1.361 195 D HN 0.313 nan 8.370 nan 0.000 0.484 196 E N 2.095 122.265 120.200 -0.051 0.000 2.033 196 E HA -0.153 4.197 4.350 0.000 0.000 0.199 196 E C -0.739 175.838 176.600 -0.038 0.000 1.011 196 E CA 1.728 58.099 56.400 -0.049 0.000 0.815 196 E CB -0.979 28.699 29.700 -0.037 0.000 0.755 196 E HN 0.424 nan 8.360 nan 0.000 0.451 197 P HA -0.209 nan 4.420 nan 0.000 0.216 197 P C 1.496 178.787 177.300 -0.015 0.000 1.167 197 P CA 1.434 64.525 63.100 -0.016 0.000 0.914 197 P CB -0.101 31.592 31.700 -0.011 0.000 0.793 198 L N -1.749 119.463 121.223 -0.018 0.000 2.093 198 L HA -0.100 4.240 4.340 0.000 0.000 0.208 198 L C 2.876 179.734 176.870 -0.020 0.000 1.085 198 L CA 1.688 56.521 54.840 -0.012 0.000 0.755 198 L CB -1.233 40.821 42.059 -0.008 0.000 0.904 198 L HN -0.117 nan 8.230 nan 0.000 0.435 199 M N -0.893 118.672 119.600 -0.058 0.000 2.213 199 M HA -0.094 4.386 4.480 0.000 0.000 0.263 199 M C 2.272 178.550 176.300 -0.036 0.000 1.062 199 M CA 1.636 56.883 55.300 -0.088 0.000 1.105 199 M CB -1.801 30.707 32.600 -0.153 0.000 1.385 199 M HN 0.352 nan 8.290 nan 0.000 0.417 200 G N -0.047 108.738 108.800 -0.024 0.000 2.394 200 G HA2 -0.170 3.790 3.960 0.000 0.000 0.214 200 G HA3 -0.170 3.790 3.960 0.000 0.000 0.214 200 G C 1.452 176.362 174.900 0.016 0.000 1.176 200 G CA 0.395 45.492 45.100 -0.005 0.000 0.786 200 G HN 0.522 nan 8.290 nan 0.000 0.533 201 E N -0.086 120.124 120.200 0.017 0.000 2.110 201 E HA -0.108 4.242 4.350 0.000 0.000 0.193 201 E C 2.379 179.013 176.600 0.057 0.000 0.988 201 E CA 0.726 57.144 56.400 0.030 0.000 0.804 201 E CB -0.162 29.550 29.700 0.020 0.000 0.745 201 E HN 0.351 nan 8.360 nan 0.000 0.458 202 L N 1.243 122.503 121.223 0.063 0.000 2.027 202 L HA -0.090 4.250 4.340 0.000 0.000 0.206 202 L C 2.270 179.238 176.870 0.164 0.000 1.074 202 L CA 1.977 56.887 54.840 0.117 0.000 0.745 202 L CB -0.744 41.384 42.059 0.116 0.000 0.898 202 L HN 0.026 nan 8.230 nan 0.000 0.433 203 A N -0.145 122.736 122.820 0.100 0.000 1.873 203 A HA -0.309 4.011 4.320 0.000 0.000 0.218 203 A C 2.486 180.124 177.584 0.090 0.000 1.193 203 A CA 2.148 54.236 52.037 0.085 0.000 0.629 203 A CB -0.747 18.276 19.000 0.038 0.000 0.826 203 A HN 0.494 nan 8.150 nan 0.000 0.447 204 R N -0.643 119.902 120.500 0.075 0.000 2.091 204 R HA -0.128 4.212 4.340 0.000 0.000 0.238 204 R C 1.908 178.271 176.300 0.104 0.000 1.136 204 R CA 1.731 57.872 56.100 0.069 0.000 0.959 204 R CB -0.808 29.523 30.300 0.052 0.000 0.856 204 R HN 0.434 nan 8.270 nan 0.000 0.437 205 L N 1.021 122.338 121.223 0.157 0.000 2.079 205 L HA -0.144 4.196 4.340 0.000 0.000 0.210 205 L C 2.155 179.233 176.870 0.346 0.000 1.081 205 L CA 1.991 56.977 54.840 0.243 0.000 0.752 205 L CB -0.527 41.680 42.059 0.248 0.000 0.896 205 L HN 0.264 nan 8.230 nan 0.000 0.433 206 K N -0.609 119.958 120.400 0.278 0.000 2.031 206 K HA -0.225 4.095 4.320 0.000 0.000 0.205 206 K C 2.108 178.680 176.600 -0.046 0.000 1.049 206 K CA 1.482 57.739 56.287 -0.050 0.000 0.939 206 K CB -0.191 32.264 32.500 -0.074 0.000 0.717 206 K HN 0.471 nan 8.250 nan 0.000 0.438 207 E N 0.165 120.375 120.200 0.017 0.000 2.065 207 E HA -0.215 4.135 4.350 0.000 0.000 0.201 207 E C 1.863 178.471 176.600 0.014 0.000 1.016 207 E CA 2.041 58.446 56.400 0.008 0.000 0.818 207 E CB 0.059 29.773 29.700 0.022 0.000 0.749 207 E HN 0.167 nan 8.360 nan 0.000 0.453 208 V N 1.055 120.996 119.914 0.045 0.000 2.244 208 V HA -0.247 3.873 4.120 0.000 0.000 0.244 208 V C 2.477 178.603 176.094 0.054 0.000 1.042 208 V CA 1.599 63.929 62.300 0.051 0.000 1.006 208 V CB -0.505 31.360 31.823 0.069 0.000 0.641 208 V HN 0.334 nan 8.190 nan 0.000 0.446 209 L N 0.548 121.827 121.223 0.093 0.000 2.201 209 L HA 0.127 4.467 4.340 0.000 0.000 0.212 209 L C 1.551 178.427 176.870 0.010 0.000 1.105 209 L CA 0.986 55.886 54.840 0.099 0.000 0.775 209 L CB -1.013 41.203 42.059 0.260 0.000 0.913 209 L HN 0.641 nan 8.230 nan 0.000 0.440 210 G N 1.188 109.948 108.800 -0.067 0.000 2.392 210 G HA2 -0.186 3.774 3.960 0.000 0.000 0.290 210 G HA3 -0.186 3.774 3.960 0.000 0.000 0.290 210 G C -2.405 172.424 174.900 -0.119 0.000 1.032 210 G CA -0.712 44.333 45.100 -0.092 0.000 1.269 210 G HN 0.192 nan 8.290 nan 0.000 0.511 211 P HA 0.252 nan 4.420 nan 0.000 0.275 211 P C 0.606 177.859 177.300 -0.078 0.000 1.228 211 P CA -0.427 62.541 63.100 -0.220 0.000 0.786 211 P CB 0.847 32.157 31.700 -0.650 0.000 0.927 212 D N 0.608 121.053 120.400 0.074 0.000 2.305 212 D HA 0.005 4.645 4.640 0.000 0.000 0.206 212 D C 0.129 176.441 176.300 0.021 0.000 0.974 212 D CA 1.209 55.265 54.000 0.092 0.000 0.871 212 D CB 0.609 41.536 40.800 0.211 0.000 0.947 212 D HN 0.455 nan 8.370 nan 0.000 0.516 213 E N 0.192 120.374 120.200 -0.031 0.000 2.352 213 E HA 0.313 4.663 4.350 0.000 0.000 0.280 213 E C -1.194 175.334 176.600 -0.119 0.000 0.930 213 E CA -0.553 55.709 56.400 -0.228 0.000 0.765 213 E CB 3.280 32.504 29.700 -0.795 0.000 1.219 213 E HN -0.266 nan 8.360 nan 0.000 0.434 214 V N 3.568 123.435 119.914 -0.079 0.000 2.357 214 V HA 0.315 4.435 4.120 0.000 0.000 0.281 214 V C -0.151 175.941 176.094 -0.004 0.000 1.015 214 V CA -0.556 61.761 62.300 0.029 0.000 0.827 214 V CB 0.966 32.809 31.823 0.034 0.000 1.018 214 V HN 0.464 nan 8.190 nan 0.000 0.432 215 L N 5.373 126.611 121.223 0.025 0.000 2.290 215 L HA 0.475 4.815 4.340 0.000 0.000 0.284 215 L C -0.326 176.524 176.870 -0.035 0.000 1.078 215 L CA -0.499 54.344 54.840 0.005 0.000 0.815 215 L CB 1.298 43.411 42.059 0.089 0.000 1.162 215 L HN 0.426 nan 8.230 nan 0.000 0.435 216 L N 5.134 126.296 121.223 -0.103 0.000 2.282 216 L HA 0.462 4.802 4.340 0.000 0.000 0.288 216 L C -0.382 176.396 176.870 -0.153 0.000 1.033 216 L CA -0.137 54.589 54.840 -0.190 0.000 0.807 216 L CB 1.652 43.575 42.059 -0.226 0.000 1.209 216 L HN 0.235 nan 8.230 nan 0.000 0.423 217 V N 6.819 126.633 119.914 -0.168 0.000 2.394 217 V HA 0.468 4.588 4.120 0.000 0.000 0.282 217 V C -0.017 176.003 176.094 -0.124 0.000 1.031 217 V CA -0.474 61.760 62.300 -0.111 0.000 0.881 217 V CB 1.171 32.947 31.823 -0.080 0.000 0.982 217 V HN 0.613 nan 8.190 nan 0.000 0.451 218 L N 3.564 124.731 121.223 -0.093 0.000 2.381 218 L HA 0.508 4.848 4.340 0.000 0.000 0.274 218 L C -0.561 176.278 176.870 -0.050 0.000 0.988 218 L CA -0.693 54.101 54.840 -0.076 0.000 0.824 218 L CB 2.214 44.224 42.059 -0.081 0.000 1.263 218 L HN 0.545 nan 8.230 nan 0.000 0.410 219 D N 2.338 122.718 120.400 -0.033 0.000 2.344 219 D HA 0.233 4.873 4.640 0.000 0.000 0.253 219 D C 1.009 177.301 176.300 -0.014 0.000 1.255 219 D CA 0.081 54.071 54.000 -0.017 0.000 0.894 219 D CB 1.837 42.632 40.800 -0.008 0.000 1.067 219 D HN 0.613 nan 8.370 nan 0.000 0.492 220 A N 4.768 127.584 122.820 -0.008 0.000 1.986 220 A HA -0.229 4.091 4.320 0.000 0.000 0.220 220 A C 2.112 179.699 177.584 0.005 0.000 1.171 220 A CA 1.310 53.347 52.037 -0.000 0.000 0.640 220 A CB -0.514 18.508 19.000 0.037 0.000 0.811 220 A HN 0.756 nan 8.150 nan 0.000 0.451 221 M N 0.203 119.812 119.600 0.015 0.000 2.632 221 M HA -0.082 4.398 4.480 0.000 0.000 0.256 221 M C 1.568 177.870 176.300 0.003 0.000 1.080 221 M CA 1.456 56.766 55.300 0.016 0.000 1.084 221 M CB -0.478 32.135 32.600 0.022 0.000 1.439 221 M HN 0.629 nan 8.290 nan 0.000 0.509 222 T N -2.353 112.199 114.554 -0.004 0.000 3.219 222 T HA 0.392 4.742 4.350 0.000 0.000 0.249 222 T C 1.216 175.907 174.700 -0.015 0.000 1.099 222 T CA 0.062 62.158 62.100 -0.006 0.000 0.988 222 T CB -0.575 68.291 68.868 -0.003 0.000 0.999 222 T HN 0.555 nan 8.240 nan 0.000 0.550 223 G N 2.236 111.020 108.800 -0.026 0.000 2.594 223 G HA2 -0.368 3.592 3.960 0.000 0.000 0.297 223 G HA3 -0.368 3.592 3.960 0.000 0.000 0.297 223 G C 0.808 175.684 174.900 -0.041 0.000 1.273 223 G CA 0.462 45.538 45.100 -0.041 0.000 0.974 223 G HN 0.358 nan 8.290 nan 0.000 0.552 224 Q N -0.078 119.698 119.800 -0.039 0.000 2.152 224 Q HA -0.138 4.203 4.340 0.000 0.000 0.206 224 Q C 2.454 178.439 176.000 -0.026 0.000 0.985 224 Q CA 2.037 57.819 55.803 -0.036 0.000 0.863 224 Q CB -0.520 28.199 28.738 -0.033 0.000 0.904 224 Q HN 0.858 nan 8.270 nan 0.000 0.422 225 E N 0.204 120.393 120.200 -0.018 0.000 2.208 225 E HA -0.241 4.109 4.350 0.000 0.000 0.202 225 E C 1.709 178.305 176.600 -0.006 0.000 1.014 225 E CA 1.126 57.520 56.400 -0.009 0.000 0.819 225 E CB 0.034 29.732 29.700 -0.003 0.000 0.735 225 E HN 0.375 nan 8.360 nan 0.000 0.469 226 A N 0.476 123.287 122.820 -0.015 0.000 1.930 226 A HA -0.108 4.212 4.320 0.000 0.000 0.217 226 A C 2.112 179.685 177.584 -0.018 0.000 1.175 226 A CA 0.850 52.876 52.037 -0.018 0.000 0.627 226 A CB -0.419 18.560 19.000 -0.034 0.000 0.815 226 A HN 0.285 nan 8.150 nan 0.000 0.443 227 L N -0.301 120.907 121.223 -0.024 0.000 2.201 227 L HA -0.117 4.223 4.340 0.000 0.000 0.212 227 L C 2.668 179.532 176.870 -0.010 0.000 1.105 227 L CA 1.135 55.960 54.840 -0.024 0.000 0.775 227 L CB -0.281 41.761 42.059 -0.028 0.000 0.913 227 L HN 0.325 nan 8.230 nan 0.000 0.440 228 S N -0.596 115.101 115.700 -0.005 0.000 2.371 228 S HA -0.115 4.355 4.470 0.000 0.000 0.224 228 S C 2.049 176.667 174.600 0.030 0.000 1.029 228 S CA 0.880 59.080 58.200 -0.000 0.000 0.978 228 S CB -0.136 63.058 63.200 -0.010 0.000 0.833 228 S HN 0.138 nan 8.310 nan 0.000 0.466 229 V N 2.322 122.270 119.914 0.056 0.000 2.332 229 V HA -0.230 3.890 4.120 0.000 0.000 0.248 229 V C 2.667 178.881 176.094 0.199 0.000 1.055 229 V CA 1.730 64.117 62.300 0.145 0.000 1.038 229 V CB -1.219 30.690 31.823 0.143 0.000 0.651 229 V HN 0.538 nan 8.190 nan 0.000 0.450 230 A N -0.032 122.840 122.820 0.086 0.000 1.902 230 A HA -0.280 4.040 4.320 0.000 0.000 0.217 230 A C 2.390 180.023 177.584 0.082 0.000 1.181 230 A CA 2.174 54.248 52.037 0.062 0.000 0.623 230 A CB -0.582 18.413 19.000 -0.009 0.000 0.818 230 A HN 0.513 nan 8.150 nan 0.000 0.443 231 R N -0.368 120.158 120.500 0.044 0.000 2.080 231 R HA -0.136 4.204 4.340 0.000 0.000 0.236 231 R C 2.345 178.665 176.300 0.033 0.000 1.137 231 R CA 1.676 57.788 56.100 0.020 0.000 0.943 231 R CB -0.505 29.791 30.300 -0.006 0.000 0.846 231 R HN 0.429 nan 8.270 nan 0.000 0.431 232 A N 0.355 123.198 122.820 0.040 0.000 1.873 232 A HA -0.194 4.126 4.320 0.000 0.000 0.218 232 A C 2.050 179.610 177.584 -0.041 0.000 1.193 232 A CA 1.659 53.681 52.037 -0.026 0.000 0.629 232 A CB -0.897 18.064 19.000 -0.066 0.000 0.826 232 A HN 0.419 nan 8.150 nan 0.000 0.447 233 F N -0.153 119.787 119.950 -0.017 0.000 2.146 233 F HA -0.112 4.415 4.527 0.000 0.000 0.298 233 F C 2.180 177.974 175.800 -0.011 0.000 1.096 233 F CA 1.700 59.696 58.000 -0.007 0.000 1.275 233 F CB -0.452 38.548 39.000 -0.000 0.000 1.008 233 F HN 0.326 nan 8.300 nan 0.000 0.480 234 D N 0.089 120.584 120.400 0.159 0.000 2.117 234 D HA -0.190 4.450 4.640 0.000 0.000 0.198 234 D C 2.065 178.384 176.300 0.032 0.000 0.982 234 D CA 1.262 55.305 54.000 0.071 0.000 0.828 234 D CB -0.161 40.654 40.800 0.026 0.000 0.967 234 D HN 0.315 nan 8.370 nan 0.000 0.464 235 E N -0.524 119.685 120.200 0.015 0.000 2.118 235 E HA -0.187 4.163 4.350 0.000 0.000 0.195 235 E C 1.602 178.191 176.600 -0.020 0.000 0.992 235 E CA 1.151 57.544 56.400 -0.012 0.000 0.804 235 E CB 0.175 29.859 29.700 -0.027 0.000 0.741 235 E HN 0.251 nan 8.360 nan 0.000 0.458 236 K N -1.338 119.045 120.400 -0.028 0.000 2.370 236 K HA 0.102 4.422 4.320 0.000 0.000 0.194 236 K C 1.475 178.072 176.600 -0.004 0.000 1.070 236 K CA 0.200 56.463 56.287 -0.040 0.000 0.998 236 K CB 1.175 33.614 32.500 -0.101 0.000 0.911 236 K HN -0.040 nan 8.250 nan 0.000 0.533 237 V N -0.447 119.492 119.914 0.041 0.000 3.001 237 V HA 0.296 4.416 4.120 0.000 0.000 0.228 237 V C 0.318 176.449 176.094 0.063 0.000 1.204 237 V CA 0.518 62.867 62.300 0.082 0.000 1.247 237 V CB 1.130 33.064 31.823 0.185 0.000 1.093 237 V HN 0.366 nan 8.190 nan 0.000 0.504 238 G N 0.828 109.674 108.800 0.077 0.000 2.881 238 G HA2 0.026 3.986 3.960 0.000 0.000 0.597 238 G HA3 0.026 3.986 3.960 0.000 0.000 0.597 238 G C -0.980 173.939 174.900 0.032 0.000 1.188 238 G CA -0.386 44.735 45.100 0.034 0.000 1.218 238 G HN 0.261 nan 8.290 nan 0.000 0.544 239 V N 1.971 121.901 119.914 0.026 0.000 2.567 239 V HA 0.711 4.831 4.120 0.000 0.000 0.289 239 V C 1.558 177.621 176.094 -0.051 0.000 1.049 239 V CA 0.658 62.953 62.300 -0.007 0.000 0.969 239 V CB 1.653 33.467 31.823 -0.015 0.000 0.995 239 V HN 1.220 nan 8.190 nan 0.000 0.471 240 T N -0.418 114.090 114.554 -0.077 0.000 3.003 240 T HA 0.507 4.857 4.350 0.000 0.000 0.261 240 T C 0.475 175.060 174.700 -0.191 0.000 1.003 240 T CA 0.392 62.433 62.100 -0.098 0.000 0.917 240 T CB 0.469 69.296 68.868 -0.068 0.000 1.084 240 T HN 1.096 nan 8.240 nan 0.000 0.522 241 G N 0.496 109.141 108.800 -0.259 0.000 2.506 241 G HA2 0.582 4.542 3.960 0.000 0.000 0.292 241 G HA3 0.582 4.542 3.960 0.000 0.000 0.292 241 G C -2.255 172.430 174.900 -0.358 0.000 1.425 241 G CA -1.016 43.756 45.100 -0.547 0.000 0.788 241 G HN 0.307 nan 8.290 nan 0.000 0.490 242 L N -0.438 120.542 121.223 -0.406 0.000 2.354 242 L HA 0.795 5.135 4.340 0.000 0.000 0.264 242 L C -0.723 176.084 176.870 -0.106 0.000 1.008 242 L CA -1.281 53.429 54.840 -0.217 0.000 0.819 242 L CB 2.454 44.383 42.059 -0.216 0.000 1.339 242 L HN 0.316 nan 8.230 nan 0.000 0.420 243 V N 3.384 123.266 119.914 -0.052 0.000 2.447 243 V HA 0.394 4.514 4.120 0.000 0.000 0.292 243 V C -0.342 175.723 176.094 -0.048 0.000 1.021 243 V CA -0.319 61.993 62.300 0.020 0.000 0.850 243 V CB 1.909 33.774 31.823 0.070 0.000 1.005 243 V HN 0.478 nan 8.190 nan 0.000 0.426 244 L N 5.284 126.456 121.223 -0.084 0.000 2.282 244 L HA 0.674 5.014 4.340 0.000 0.000 0.288 244 L C 0.706 177.553 176.870 -0.038 0.000 1.033 244 L CA -0.182 54.605 54.840 -0.088 0.000 0.807 244 L CB 1.818 43.787 42.059 -0.150 0.000 1.209 244 L HN 0.769 nan 8.230 nan 0.000 0.423 245 T N -1.379 113.162 114.554 -0.022 0.000 2.937 245 T HA 0.406 4.756 4.350 0.000 0.000 0.283 245 T C 0.320 175.028 174.700 0.013 0.000 1.012 245 T CA -0.873 61.227 62.100 -0.001 0.000 0.997 245 T CB 1.323 70.188 68.868 -0.006 0.000 1.136 245 T HN 0.619 nan 8.240 nan 0.000 0.551 246 K N -0.412 120.001 120.400 0.020 0.000 2.960 246 K HA -0.167 4.153 4.320 0.000 0.000 0.259 246 K C 0.731 177.361 176.600 0.050 0.000 1.025 246 K CA 0.349 56.654 56.287 0.029 0.000 0.756 246 K CB -1.481 31.032 32.500 0.023 0.000 1.221 246 K HN 0.402 nan 8.250 nan 0.000 0.483 247 L N 1.872 123.130 121.223 0.058 0.000 2.265 247 L HA -0.153 4.187 4.340 0.000 0.000 0.215 247 L C 1.984 178.915 176.870 0.101 0.000 1.117 247 L CA 2.250 57.153 54.840 0.104 0.000 0.782 247 L CB -0.311 41.802 42.059 0.090 0.000 0.914 247 L HN 0.379 nan 8.230 nan 0.000 0.441 248 D N -2.640 117.793 120.400 0.054 0.000 2.349 248 D HA -0.036 4.604 4.640 0.000 0.000 0.224 248 D C 1.581 177.914 176.300 0.054 0.000 1.029 248 D CA 0.877 54.898 54.000 0.035 0.000 0.879 248 D CB 0.022 40.834 40.800 0.019 0.000 0.906 248 D HN 0.389 nan 8.370 nan 0.000 0.528 249 G N 0.239 109.081 108.800 0.069 0.000 3.159 249 G HA2 -0.038 3.922 3.960 0.000 0.000 0.232 249 G HA3 -0.038 3.922 3.960 0.000 0.000 0.232 249 G C 0.066 175.015 174.900 0.083 0.000 1.116 249 G CA -0.258 44.880 45.100 0.064 0.000 0.767 249 G HN 0.095 nan 8.290 nan 0.000 0.547 250 D N 0.575 121.055 120.400 0.133 0.000 2.225 250 D HA 0.544 5.184 4.640 0.000 0.000 0.248 250 D C 0.959 177.378 176.300 0.199 0.000 1.096 250 D CA -0.262 53.821 54.000 0.140 0.000 0.863 250 D CB 1.847 42.743 40.800 0.160 0.000 1.156 250 D HN -0.026 nan 8.370 nan 0.000 0.450 251 A N 4.122 127.011 122.820 0.116 0.000 2.252 251 A HA 0.143 4.463 4.320 0.000 0.000 0.213 251 A C 1.839 179.477 177.584 0.090 0.000 1.188 251 A CA 0.205 52.318 52.037 0.127 0.000 0.863 251 A CB 0.252 19.295 19.000 0.072 0.000 0.893 251 A HN 0.471 nan 8.150 nan 0.000 0.495 252 R N -1.197 119.291 120.500 -0.020 0.000 2.038 252 R HA 0.361 4.701 4.340 0.000 0.000 0.214 252 R C 1.590 177.639 176.300 -0.418 0.000 1.249 252 R CA 1.465 57.484 56.100 -0.135 0.000 1.025 252 R CB -0.319 29.904 30.300 -0.128 0.000 0.911 252 R HN 0.714 nan 8.270 nan 0.000 0.456 253 G N -1.324 107.078 108.800 -0.663 0.000 2.175 253 G HA2 -0.224 3.736 3.960 0.000 0.000 0.244 253 G HA3 -0.224 3.736 3.960 0.000 0.000 0.244 253 G C 1.026 175.533 174.900 -0.656 0.000 0.982 253 G CA 0.430 44.713 45.100 -1.361 0.000 0.641 253 G HN 0.541 nan 8.290 nan 0.000 0.527 254 G N 0.612 109.187 108.800 -0.375 0.000 2.475 254 G HA2 0.159 4.119 3.960 0.000 0.000 0.220 254 G HA3 0.159 4.119 3.960 0.000 0.000 0.220 254 G C 1.851 176.646 174.900 -0.175 0.000 1.125 254 G CA 2.547 47.511 45.100 -0.227 0.000 0.755 254 G HN 1.623 nan 8.290 nan 0.000 0.565 255 A N 0.590 123.303 122.820 -0.179 0.000 1.975 255 A HA 0.533 4.853 4.320 0.000 0.000 0.215 255 A C 2.694 180.210 177.584 -0.114 0.000 1.170 255 A CA 1.684 53.649 52.037 -0.119 0.000 0.656 255 A CB -0.406 18.535 19.000 -0.099 0.000 0.821 255 A HN 0.621 nan 8.150 nan 0.000 0.449 256 A N -0.310 122.417 122.820 -0.155 0.000 1.930 256 A HA 0.129 4.449 4.320 0.000 0.000 0.215 256 A C 2.015 179.582 177.584 -0.029 0.000 1.176 256 A CA 1.100 53.086 52.037 -0.084 0.000 0.632 256 A CB -0.490 18.512 19.000 0.003 0.000 0.819 256 A HN 0.410 nan 8.150 nan 0.000 0.445 257 L N -0.118 121.065 121.223 -0.068 0.000 2.275 257 L HA -0.077 4.263 4.340 0.000 0.000 0.215 257 L C 1.943 178.822 176.870 0.014 0.000 1.119 257 L CA 1.183 56.026 54.840 0.004 0.000 0.790 257 L CB 0.046 42.078 42.059 -0.044 0.000 0.919 257 L HN 0.314 nan 8.230 nan 0.000 0.443 258 S N -1.141 114.549 115.700 -0.016 0.000 2.523 258 S HA 0.200 4.670 4.470 0.000 0.000 0.217 258 S C 2.022 176.639 174.600 0.029 0.000 0.996 258 S CA 0.367 58.579 58.200 0.020 0.000 0.921 258 S CB 0.540 63.741 63.200 0.002 0.000 0.829 258 S HN 0.374 nan 8.310 nan 0.000 0.495 259 A N 2.531 125.346 122.820 -0.009 0.000 1.948 259 A HA -0.178 4.142 4.320 0.000 0.000 0.220 259 A C 2.116 179.687 177.584 -0.021 0.000 1.177 259 A CA 1.842 53.859 52.037 -0.033 0.000 0.636 259 A CB -0.456 18.500 19.000 -0.073 0.000 0.815 259 A HN 0.321 nan 8.150 nan 0.000 0.449 260 R N -0.796 119.712 120.500 0.012 0.000 2.070 260 R HA -0.152 4.188 4.340 0.000 0.000 0.233 260 R C 2.158 178.476 176.300 0.029 0.000 1.137 260 R CA 2.295 58.405 56.100 0.017 0.000 0.945 260 R CB -0.972 29.357 30.300 0.049 0.000 0.845 260 R HN 0.757 nan 8.270 nan 0.000 0.430 261 H N -0.645 118.417 119.070 -0.014 0.000 2.293 261 H HA -0.042 4.514 4.556 0.000 0.000 0.300 261 H C 1.725 177.040 175.328 -0.021 0.000 1.082 261 H CA 2.350 58.390 56.048 -0.013 0.000 1.308 261 H CB -0.184 29.575 29.762 -0.005 0.000 1.375 261 H HN 0.056 nan 8.280 nan 0.000 0.495 262 V N -0.062 119.815 119.914 -0.062 0.000 2.358 262 V HA -0.210 3.910 4.120 0.000 0.000 0.246 262 V C 2.573 178.589 176.094 -0.129 0.000 1.047 262 V CA 2.192 64.423 62.300 -0.115 0.000 1.035 262 V CB -0.817 31.005 31.823 -0.001 0.000 0.658 262 V HN 0.832 nan 8.190 nan 0.000 0.452 263 T N -3.460 111.037 114.554 -0.095 0.000 3.023 263 T HA 0.315 4.665 4.350 0.000 0.000 0.249 263 T C 1.707 176.348 174.700 -0.098 0.000 1.050 263 T CA 1.237 63.284 62.100 -0.088 0.000 1.088 263 T CB 0.772 69.594 68.868 -0.077 0.000 0.946 263 T HN 0.944 nan 8.240 nan 0.000 0.480 264 G N 1.823 110.563 108.800 -0.101 0.000 2.212 264 G HA2 -0.227 3.733 3.960 0.000 0.000 0.266 264 G HA3 -0.227 3.733 3.960 0.000 0.000 0.266 264 G C 0.084 174.931 174.900 -0.087 0.000 0.978 264 G CA 0.393 45.439 45.100 -0.091 0.000 0.632 264 G HN 0.677 nan 8.290 nan 0.000 0.537 265 K N 1.263 121.599 120.400 -0.107 0.000 2.098 265 K HA 0.555 4.875 4.320 0.000 0.000 0.258 265 K C -2.198 174.294 176.600 -0.180 0.000 0.973 265 K CA -1.857 54.339 56.287 -0.150 0.000 0.898 265 K CB 2.052 34.452 32.500 -0.167 0.000 1.057 265 K HN 0.247 nan 8.250 nan 0.000 0.447 266 P HA 0.393 nan 4.420 nan 0.000 0.280 266 P C -0.411 176.669 177.300 -0.368 0.000 1.272 266 P CA -0.565 62.385 63.100 -0.249 0.000 0.819 266 P CB 0.885 32.453 31.700 -0.222 0.000 1.122 267 I N 1.309 121.764 120.570 -0.191 0.000 2.312 267 I HA 0.233 4.403 4.170 0.000 0.000 0.290 267 I C 1.018 177.126 176.117 -0.015 0.000 1.008 267 I CA -0.544 60.642 61.300 -0.189 0.000 1.226 267 I CB 0.855 38.684 38.000 -0.285 0.000 1.371 267 I HN 0.423 nan 8.210 nan 0.000 0.468 268 Y N 4.604 124.841 120.300 -0.105 0.000 2.222 268 Y HA 0.195 4.745 4.550 0.000 0.000 0.290 268 Y C 0.463 176.091 175.900 -0.452 0.000 1.123 268 Y CA -0.043 57.865 58.100 -0.319 0.000 1.120 268 Y CB 0.397 38.634 38.460 -0.371 0.000 1.060 268 Y HN 0.305 nan 8.280 nan 0.000 0.508 269 F N -0.419 119.613 119.950 0.137 0.000 2.538 269 F HA 0.696 5.223 4.527 0.000 0.000 0.325 269 F C -0.223 175.576 175.800 -0.000 0.000 1.066 269 F CA -1.298 56.725 58.000 0.038 0.000 0.946 269 F CB 1.682 40.666 39.000 -0.026 0.000 1.199 269 F HN -0.219 nan 8.300 nan 0.000 0.473 270 A N 0.864 123.819 122.820 0.226 0.000 2.408 270 A HA 0.676 4.996 4.320 0.000 0.000 0.295 270 A C -0.413 177.238 177.584 0.112 0.000 1.040 270 A CA -0.655 51.442 52.037 0.100 0.000 0.707 270 A CB 0.845 19.881 19.000 0.061 0.000 1.235 270 A HN 1.004 nan 8.150 nan 0.000 0.418 271 G N 0.573 109.411 108.800 0.062 0.000 2.358 271 G HA2 0.456 4.416 3.960 0.000 0.000 0.273 271 G HA3 0.456 4.416 3.960 0.000 0.000 0.273 271 G C 0.260 175.194 174.900 0.056 0.000 1.215 271 G CA -0.039 45.092 45.100 0.052 0.000 0.910 271 G HN 0.970 nan 8.290 nan 0.000 0.467 272 V N 1.531 121.482 119.914 0.061 0.000 3.605 272 V HA 0.269 4.389 4.120 0.000 0.000 0.284 272 V C 0.873 176.987 176.094 0.034 0.000 1.386 272 V CA 0.787 63.117 62.300 0.051 0.000 1.053 272 V CB -0.953 30.909 31.823 0.064 0.000 0.857 272 V HN 0.988 nan 8.190 nan 0.000 0.436 273 S N -1.123 114.597 115.700 0.033 0.000 2.645 273 S HA 0.319 4.789 4.470 0.000 0.000 0.268 273 S C -0.604 174.010 174.600 0.024 0.000 1.110 273 S CA -0.714 57.501 58.200 0.025 0.000 0.823 273 S CB 1.343 64.557 63.200 0.024 0.000 1.091 273 S HN 0.018 nan 8.310 nan 0.000 0.466 274 E N 0.752 120.964 120.200 0.019 0.000 2.359 274 E HA 0.195 4.545 4.350 0.000 0.000 0.187 274 E C -0.182 176.428 176.600 0.016 0.000 1.081 274 E CA 0.042 56.452 56.400 0.016 0.000 0.929 274 E CB -0.313 29.395 29.700 0.013 0.000 1.086 274 E HN 0.480 nan 8.360 nan 0.000 0.462 275 K N 1.570 121.982 120.400 0.020 0.000 2.107 275 K HA 0.140 4.460 4.320 0.000 0.000 0.251 275 K C -1.413 175.201 176.600 0.024 0.000 1.012 275 K CA -1.644 54.656 56.287 0.022 0.000 0.920 275 K CB 0.704 33.218 32.500 0.025 0.000 1.033 275 K HN -0.183 nan 8.250 nan 0.000 0.478 276 P HA -0.174 nan 4.420 nan 0.000 0.216 276 P C 0.109 177.435 177.300 0.043 0.000 1.153 276 P CA 1.559 64.676 63.100 0.029 0.000 0.848 276 P CB 0.216 31.932 31.700 0.026 0.000 0.787 277 E N -0.591 119.639 120.200 0.049 0.000 2.476 277 E HA 0.108 4.458 4.350 0.000 0.000 0.191 277 E C 2.008 178.646 176.600 0.063 0.000 1.064 277 E CA 0.199 56.639 56.400 0.068 0.000 0.866 277 E CB -0.471 29.266 29.700 0.061 0.000 0.952 277 E HN 0.310 nan 8.360 nan 0.000 0.492 278 G N 1.146 109.975 108.800 0.048 0.000 2.511 278 G HA2 -0.106 3.854 3.960 0.000 0.000 0.217 278 G HA3 -0.106 3.854 3.960 0.000 0.000 0.217 278 G C 0.638 175.568 174.900 0.051 0.000 1.133 278 G CA -0.125 45.002 45.100 0.045 0.000 0.792 278 G HN 0.168 nan 8.290 nan 0.000 0.539 279 L N 2.064 123.311 121.223 0.040 0.000 2.302 279 L HA 0.406 4.746 4.340 0.000 0.000 0.285 279 L C 0.276 177.171 176.870 0.043 0.000 1.090 279 L CA -0.693 54.165 54.840 0.030 0.000 0.866 279 L CB 0.281 42.324 42.059 -0.027 0.000 1.244 279 L HN 0.359 nan 8.230 nan 0.000 0.435 280 E N 4.683 124.942 120.200 0.098 0.000 2.243 280 E HA 0.620 4.970 4.350 0.000 0.000 0.260 280 E C -2.739 173.938 176.600 0.129 0.000 0.985 280 E CA -2.805 53.659 56.400 0.107 0.000 0.858 280 E CB 0.683 30.480 29.700 0.162 0.000 1.210 280 E HN 0.271 nan 8.360 nan 0.000 0.411 281 P HA 0.059 nan 4.420 nan 0.000 0.276 281 P C -1.097 176.074 177.300 -0.214 0.000 1.235 281 P CA -0.251 62.701 63.100 -0.248 0.000 0.772 281 P CB 0.095 31.548 31.700 -0.412 0.000 0.871 282 F N 4.823 124.601 119.950 -0.286 0.000 2.571 282 F HA 0.144 4.671 4.527 0.000 0.000 0.384 282 F C -0.604 175.055 175.800 -0.234 0.000 1.058 282 F CA 0.089 57.995 58.000 -0.156 0.000 1.200 282 F CB -0.300 38.651 39.000 -0.081 0.000 1.077 282 F HN 0.286 nan 8.300 nan 0.000 0.558 283 Y N 8.298 128.197 120.300 -0.668 0.000 2.388 283 Y HA 0.308 4.858 4.550 0.000 0.000 0.328 283 Y C -1.646 173.759 175.900 -0.825 0.000 0.963 283 Y CA -2.137 55.612 58.100 -0.584 0.000 1.240 283 Y CB 1.048 39.351 38.460 -0.262 0.000 1.118 283 Y HN 0.477 nan 8.280 nan 0.000 0.484 284 P HA -0.209 nan 4.420 nan 0.000 0.214 284 P C 0.936 178.113 177.300 -0.205 0.000 1.163 284 P CA 1.862 64.700 63.100 -0.437 0.000 0.889 284 P CB 0.435 32.005 31.700 -0.217 0.000 0.790 285 E N -0.863 119.264 120.200 -0.121 0.000 2.169 285 E HA -0.234 4.116 4.350 0.000 0.000 0.202 285 E C 2.121 178.739 176.600 0.031 0.000 1.016 285 E CA 1.249 57.627 56.400 -0.037 0.000 0.817 285 E CB -0.453 29.264 29.700 0.029 0.000 0.736 285 E HN 0.138 nan 8.360 nan 0.000 0.462 286 R N -0.066 120.422 120.500 -0.020 0.000 2.055 286 R HA 0.013 4.353 4.340 0.000 0.000 0.226 286 R C 2.378 178.687 176.300 0.014 0.000 1.135 286 R CA 0.645 56.738 56.100 -0.013 0.000 0.959 286 R CB -0.994 29.268 30.300 -0.063 0.000 0.854 286 R HN 0.225 nan 8.270 nan 0.000 0.431 287 L N 1.237 122.456 121.223 -0.007 0.000 2.043 287 L HA -0.121 4.219 4.340 0.000 0.000 0.212 287 L C 2.153 179.060 176.870 0.061 0.000 1.075 287 L CA 2.169 57.030 54.840 0.035 0.000 0.752 287 L CB -0.883 41.268 42.059 0.153 0.000 0.891 287 L HN 0.181 nan 8.230 nan 0.000 0.432 288 A N -0.712 122.146 122.820 0.064 0.000 1.933 288 A HA -0.059 4.261 4.320 0.000 0.000 0.218 288 A C 2.345 180.064 177.584 0.224 0.000 1.175 288 A CA 1.543 53.633 52.037 0.088 0.000 0.628 288 A CB -1.519 17.402 19.000 -0.131 0.000 0.814 288 A HN 0.540 nan 8.150 nan 0.000 0.444 289 G N -0.465 108.503 108.800 0.280 0.000 2.404 289 G HA2 -0.209 3.751 3.960 0.000 0.000 0.215 289 G HA3 -0.209 3.751 3.960 0.000 0.000 0.215 289 G C 1.762 176.728 174.900 0.111 0.000 1.174 289 G CA 0.849 46.099 45.100 0.252 0.000 0.780 289 G HN 0.576 nan 8.290 nan 0.000 0.537 290 R N -0.012 120.525 120.500 0.062 0.000 2.081 290 R HA 0.055 4.395 4.340 0.000 0.000 0.235 290 R C 2.546 178.861 176.300 0.026 0.000 1.131 290 R CA 1.117 57.227 56.100 0.016 0.000 0.960 290 R CB -0.468 29.815 30.300 -0.028 0.000 0.856 290 R HN 0.350 nan 8.270 nan 0.000 0.436 291 I N 0.968 121.568 120.570 0.049 0.000 2.423 291 I HA -0.257 3.913 4.170 0.000 0.000 0.254 291 I C 1.709 177.890 176.117 0.107 0.000 1.151 291 I CA 1.277 62.630 61.300 0.088 0.000 1.421 291 I CB -0.092 38.008 38.000 0.167 0.000 1.079 291 I HN 0.197 nan 8.210 nan 0.000 0.431 292 L N -0.200 121.093 121.223 0.117 0.000 2.607 292 L HA 0.260 4.600 4.340 0.000 0.000 0.228 292 L C 1.379 178.282 176.870 0.055 0.000 1.123 292 L CA 0.471 55.373 54.840 0.104 0.000 0.890 292 L CB 0.211 42.355 42.059 0.142 0.000 1.103 292 L HN 0.438 nan 8.230 nan 0.000 0.468 293 G N 0.186 109.010 108.800 0.040 0.000 2.163 293 G HA2 -0.247 3.713 3.960 0.000 0.000 0.213 293 G HA3 -0.247 3.713 3.960 0.000 0.000 0.213 293 G C 0.114 175.014 174.900 -0.000 0.000 0.991 293 G CA -0.385 44.725 45.100 0.017 0.000 0.653 293 G HN 0.225 nan 8.290 nan 0.000 0.518 294 M N 0.723 120.321 119.600 -0.004 0.000 2.101 294 M HA 0.528 5.008 4.480 0.000 0.000 0.340 294 M C 1.197 177.484 176.300 -0.021 0.000 1.057 294 M CA 0.530 55.815 55.300 -0.026 0.000 0.984 294 M CB 1.662 34.227 32.600 -0.058 0.000 1.560 294 M HN 1.138 nan 8.290 nan 0.000 0.435 295 G N 1.920 110.705 108.800 -0.024 0.000 2.246 295 G HA2 -0.235 3.725 3.960 0.000 0.000 0.273 295 G HA3 -0.235 3.725 3.960 0.000 0.000 0.273 295 G C -0.552 174.336 174.900 -0.020 0.000 1.055 295 G CA 0.224 45.309 45.100 -0.025 0.000 0.851 295 G HN 0.739 nan 8.290 nan 0.000 0.500 296 D N -0.686 119.704 120.400 -0.015 0.000 2.253 296 D HA 0.579 5.219 4.640 0.000 0.000 0.249 296 D C 0.286 176.577 176.300 -0.015 0.000 1.049 296 D CA -0.350 53.640 54.000 -0.017 0.000 0.929 296 D CB 1.605 42.396 40.800 -0.015 0.000 1.176 296 D HN 0.334 nan 8.370 nan 0.000 0.437 297 V N 2.130 122.034 119.914 -0.016 0.000 2.444 297 V HA 0.640 4.760 4.120 0.000 0.000 0.294 297 V C 0.413 176.502 176.094 -0.009 0.000 1.022 297 V CA -1.319 60.974 62.300 -0.010 0.000 0.850 297 V CB 0.930 32.748 31.823 -0.008 0.000 0.992 297 V HN 0.823 nan 8.190 nan 0.000 0.426 298 A N 4.168 126.985 122.820 -0.005 0.000 2.565 298 A HA 0.422 4.742 4.320 0.000 0.000 0.237 298 A C 1.004 178.588 177.584 -0.001 0.000 1.053 298 A CA 0.724 52.760 52.037 -0.002 0.000 0.755 298 A CB -0.028 18.972 19.000 0.001 0.000 0.980 298 A HN 1.247 nan 8.150 nan 0.000 0.506 299 S N 2.333 118.033 115.700 0.000 0.000 2.552 299 S HA 0.464 4.934 4.470 0.000 0.000 0.271 299 S C 1.208 175.812 174.600 0.007 0.000 1.168 299 S CA -0.040 58.162 58.200 0.003 0.000 1.026 299 S CB -0.105 63.097 63.200 0.003 0.000 1.120 299 S HN 0.549 nan 8.310 nan 0.000 0.514 300 L N 0.261 121.491 121.223 0.010 0.000 2.049 300 L HA 0.108 4.448 4.340 0.000 0.000 0.203 300 L C 3.105 179.983 176.870 0.013 0.000 1.074 300 L CA 1.307 56.154 54.840 0.011 0.000 0.749 300 L CB -1.271 40.796 42.059 0.013 0.000 0.907 300 L HN 0.820 nan 8.230 nan 0.000 0.439 301 A N 0.416 123.245 122.820 0.016 0.000 1.841 301 A HA -0.201 4.119 4.320 0.000 0.000 0.214 301 A C 2.147 179.741 177.584 0.017 0.000 1.195 301 A CA 1.562 53.610 52.037 0.018 0.000 0.611 301 A CB -0.649 18.365 19.000 0.023 0.000 0.835 301 A HN 0.424 nan 8.150 nan 0.000 0.443 302 E N 0.040 120.250 120.200 0.017 0.000 2.164 302 E HA -0.290 4.060 4.350 0.000 0.000 0.206 302 E C 2.077 178.685 176.600 0.012 0.000 1.032 302 E CA 1.848 58.257 56.400 0.015 0.000 0.832 302 E CB -0.241 29.466 29.700 0.011 0.000 0.742 302 E HN 0.572 nan 8.360 nan 0.000 0.460 303 K N 0.311 120.717 120.400 0.010 0.000 1.985 303 K HA -0.115 4.205 4.320 0.000 0.000 0.210 303 K C 2.241 178.847 176.600 0.010 0.000 1.047 303 K CA 1.464 57.756 56.287 0.009 0.000 0.932 303 K CB -0.282 32.222 32.500 0.008 0.000 0.716 303 K HN 0.027 nan 8.250 nan 0.000 0.439 304 V N 1.813 121.733 119.914 0.011 0.000 2.720 304 V HA -0.200 3.920 4.120 0.000 0.000 0.256 304 V C 2.137 178.238 176.094 0.012 0.000 1.082 304 V CA 1.502 63.808 62.300 0.011 0.000 1.101 304 V CB -0.659 31.171 31.823 0.011 0.000 0.693 304 V HN 0.279 nan 8.190 nan 0.000 0.479 305 R N 0.011 120.519 120.500 0.013 0.000 2.127 305 R HA 0.114 4.454 4.340 0.000 0.000 0.217 305 R C 2.321 178.629 176.300 0.013 0.000 1.074 305 R CA 1.166 57.275 56.100 0.015 0.000 0.991 305 R CB -0.254 30.057 30.300 0.018 0.000 0.895 305 R HN 0.527 nan 8.270 nan 0.000 0.450 306 A N 1.035 123.862 122.820 0.012 0.000 1.984 306 A HA 0.286 4.606 4.320 0.000 0.000 0.214 306 A C 1.172 178.762 177.584 0.009 0.000 1.173 306 A CA 0.687 52.731 52.037 0.010 0.000 0.673 306 A CB 0.077 19.082 19.000 0.010 0.000 0.830 306 A HN 0.300 nan 8.150 nan 0.000 0.453 320 L N 1.379 122.636 121.223 0.056 0.000 2.751 320 L HA 0.694 5.034 4.340 0.000 0.000 0.241 320 L C -0.500 176.506 176.870 0.227 0.000 1.146 320 L CA -0.011 54.914 54.840 0.142 0.000 0.879 320 L CB 1.527 43.693 42.059 0.179 0.000 1.687 320 L HN 0.661 nan 8.230 nan 0.000 0.527 321 S N -1.044 114.833 115.700 0.296 0.000 2.543 321 S HA 0.273 4.743 4.470 0.000 0.000 0.273 321 S C 0.187 174.781 174.600 -0.009 0.000 1.152 321 S CA -0.650 57.659 58.200 0.182 0.000 0.910 321 S CB 0.817 64.069 63.200 0.086 0.000 1.105 321 S HN 0.466 nan 8.310 nan 0.000 0.465 322 L N 1.725 122.662 121.223 -0.476 0.000 2.089 322 L HA -0.094 4.246 4.340 0.000 0.000 0.213 322 L C 2.466 179.268 176.870 -0.114 0.000 1.079 322 L CA 2.057 56.484 54.840 -0.688 0.000 0.758 322 L CB -0.735 40.944 42.059 -0.634 0.000 0.891 322 L HN 0.886 nan 8.230 nan 0.000 0.433 323 E N -0.327 119.848 120.200 -0.042 0.000 2.085 323 E HA -0.241 4.109 4.350 0.000 0.000 0.194 323 E C 1.889 178.523 176.600 0.057 0.000 0.994 323 E CA 1.733 58.147 56.400 0.024 0.000 0.801 323 E CB -0.246 29.465 29.700 0.018 0.000 0.743 323 E HN 0.621 nan 8.360 nan 0.000 0.453 324 D N -0.152 120.298 120.400 0.084 0.000 2.117 324 D HA -0.109 4.531 4.640 0.000 0.000 0.198 324 D C 1.609 178.005 176.300 0.160 0.000 0.982 324 D CA 0.476 54.543 54.000 0.112 0.000 0.828 324 D CB -0.310 40.571 40.800 0.135 0.000 0.967 324 D HN 0.067 nan 8.370 nan 0.000 0.464 325 F N 1.233 121.225 119.950 0.070 0.000 2.026 325 F HA -0.187 4.340 4.527 0.000 0.000 0.296 325 F C 2.050 177.912 175.800 0.103 0.000 1.133 325 F CA 0.998 59.064 58.000 0.109 0.000 1.188 325 F CB -0.857 38.215 39.000 0.119 0.000 0.968 325 F HN -0.036 nan 8.300 nan 0.000 0.476 326 L N 1.131 122.357 121.223 0.005 0.000 1.997 326 L HA -0.279 4.061 4.340 0.000 0.000 0.216 326 L C 2.513 179.331 176.870 -0.087 0.000 1.074 326 L CA 2.450 57.264 54.840 -0.044 0.000 0.763 326 L CB -1.128 40.990 42.059 0.098 0.000 0.890 326 L HN 0.295 nan 8.230 nan 0.000 0.434 327 K N -1.404 118.981 120.400 -0.026 0.000 2.032 327 K HA -0.227 4.093 4.320 0.000 0.000 0.209 327 K C 2.141 178.718 176.600 -0.038 0.000 1.048 327 K CA 1.669 57.943 56.287 -0.022 0.000 0.927 327 K CB -0.124 32.380 32.500 0.007 0.000 0.712 327 K HN 0.429 nan 8.250 nan 0.000 0.441 328 Q N -0.062 119.711 119.800 -0.044 0.000 2.170 328 Q HA -0.134 4.206 4.340 0.000 0.000 0.203 328 Q C 2.018 177.977 176.000 -0.070 0.000 0.976 328 Q CA 1.371 57.152 55.803 -0.036 0.000 0.858 328 Q CB -0.062 28.676 28.738 -0.000 0.000 0.907 328 Q HN 0.488 nan 8.270 nan 0.000 0.433 329 M N -0.041 119.465 119.600 -0.156 0.000 2.200 329 M HA -0.167 4.313 4.480 0.000 0.000 0.265 329 M C 2.093 178.358 176.300 -0.058 0.000 1.066 329 M CA 1.298 56.518 55.300 -0.133 0.000 1.127 329 M CB -0.231 32.234 32.600 -0.224 0.000 1.379 329 M HN 0.189 nan 8.290 nan 0.000 0.420 330 Q N 0.464 120.228 119.800 -0.059 0.000 2.050 330 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 330 Q C 1.604 177.596 176.000 -0.014 0.000 0.980 330 Q CA 1.555 57.338 55.803 -0.034 0.000 0.840 330 Q CB -0.419 28.298 28.738 -0.035 0.000 0.898 330 Q HN 0.638 nan 8.270 nan 0.000 0.424 331 N N 0.037 118.732 118.700 -0.008 0.000 2.223 331 N HA -0.157 4.583 4.740 0.000 0.000 0.185 331 N C 1.527 177.066 175.510 0.048 0.000 1.016 331 N CA 0.411 53.468 53.050 0.012 0.000 0.863 331 N CB 0.067 38.562 38.487 0.014 0.000 0.983 331 N HN 0.054 nan 8.380 nan 0.000 0.429 332 L N 1.625 122.888 121.223 0.066 0.000 2.007 332 L HA -0.094 4.246 4.340 0.000 0.000 0.205 332 L C 2.283 179.230 176.870 0.127 0.000 1.073 332 L CA 1.562 56.501 54.840 0.165 0.000 0.744 332 L CB -0.783 41.373 42.059 0.160 0.000 0.898 332 L HN -0.025 nan 8.230 nan 0.000 0.435 333 K N 0.199 120.633 120.400 0.057 0.000 2.173 333 K HA -0.227 4.093 4.320 0.000 0.000 0.207 333 K C 2.251 178.832 176.600 -0.031 0.000 1.046 333 K CA 1.444 57.734 56.287 0.006 0.000 0.929 333 K CB -0.244 32.253 32.500 -0.005 0.000 0.720 333 K HN 0.300 nan 8.250 nan 0.000 0.453 334 R N 0.243 120.733 120.500 -0.017 0.000 2.193 334 R HA 0.010 4.350 4.340 0.000 0.000 0.213 334 R C 1.403 177.675 176.300 -0.047 0.000 1.055 334 R CA 0.513 56.594 56.100 -0.032 0.000 0.995 334 R CB -0.016 30.271 30.300 -0.021 0.000 0.893 334 R HN 0.108 nan 8.270 nan 0.000 0.459 335 L N 1.737 122.938 121.223 -0.037 0.000 2.715 335 L HA 0.259 4.599 4.340 0.000 0.000 0.238 335 L C 0.604 177.324 176.870 -0.250 0.000 1.212 335 L CA 0.095 54.897 54.840 -0.063 0.000 1.017 335 L CB -0.035 42.075 42.059 0.086 0.000 1.269 335 L HN 0.467 nan 8.230 nan 0.000 0.452 336 G N 1.410 110.063 108.800 -0.246 0.000 2.894 336 G HA2 -0.232 3.728 3.960 0.000 0.000 0.247 336 G HA3 -0.232 3.728 3.960 0.000 0.000 0.247 336 G C -2.567 171.986 174.900 -0.577 0.000 1.442 336 G CA -0.911 44.005 45.100 -0.308 0.000 0.897 336 G HN 0.188 nan 8.290 nan 0.000 0.550 337 P HA 0.409 nan 4.420 nan 0.000 0.275 337 P C -0.392 176.588 177.300 -0.533 0.000 1.227 337 P CA -0.204 62.642 63.100 -0.424 0.000 0.781 337 P CB 0.349 31.944 31.700 -0.175 0.000 0.906 338 F N 0.951 120.900 119.950 -0.001 0.000 2.640 338 F HA 0.070 4.597 4.527 0.000 0.000 0.331 338 F C 2.074 177.874 175.800 0.001 0.000 1.200 338 F CA -0.271 57.730 58.000 0.000 0.000 1.278 338 F CB -0.577 38.424 39.000 0.001 0.000 1.571 338 F HN 0.239 nan 8.300 nan 0.000 0.576 339 S N -0.957 114.785 115.700 0.070 0.000 2.372 339 S HA -0.296 4.174 4.470 0.000 0.000 0.227 339 S C 1.866 176.506 174.600 0.068 0.000 1.044 339 S CA 1.709 59.940 58.200 0.053 0.000 1.050 339 S CB -0.199 63.009 63.200 0.013 0.000 0.901 339 S HN 0.458 nan 8.310 nan 0.000 0.447 340 E N 1.316 121.562 120.200 0.077 0.000 2.047 340 E HA 0.101 4.451 4.350 0.000 0.000 0.191 340 E C 1.988 178.629 176.600 0.068 0.000 0.987 340 E CA 1.133 57.572 56.400 0.064 0.000 0.799 340 E CB -0.446 29.291 29.700 0.061 0.000 0.752 340 E HN 0.637 nan 8.360 nan 0.000 0.449 341 I N 0.322 120.951 120.570 0.099 0.000 2.454 341 I HA -0.218 3.952 4.170 0.000 0.000 0.254 341 I C 1.609 177.758 176.117 0.053 0.000 1.156 341 I CA 0.819 62.157 61.300 0.064 0.000 1.433 341 I CB -0.142 37.884 38.000 0.044 0.000 1.082 341 I HN 0.122 nan 8.210 nan 0.000 0.432 342 L N 0.048 121.317 121.223 0.077 0.000 2.509 342 L HA 0.108 4.448 4.340 0.000 0.000 0.222 342 L C 2.516 179.411 176.870 0.040 0.000 1.123 342 L CA 0.445 55.320 54.840 0.058 0.000 0.856 342 L CB -0.710 41.393 42.059 0.073 0.000 0.985 342 L HN 0.225 nan 8.230 nan 0.000 0.456 343 G N 0.582 109.406 108.800 0.040 0.000 2.470 343 G HA2 -0.172 3.788 3.960 0.000 0.000 0.220 343 G HA3 -0.172 3.788 3.960 0.000 0.000 0.220 343 G C 1.575 176.487 174.900 0.021 0.000 1.121 343 G CA 0.472 45.589 45.100 0.028 0.000 0.766 343 G HN 0.248 nan 8.290 nan 0.000 0.553 344 L N -0.587 120.648 121.223 0.020 0.000 2.095 344 L HA 0.164 4.504 4.340 0.000 0.000 0.204 344 L C 0.364 177.242 176.870 0.013 0.000 1.080 344 L CA -0.000 54.848 54.840 0.014 0.000 0.759 344 L CB -0.323 41.742 42.059 0.010 0.000 0.914 344 L HN 0.054 nan 8.230 nan 0.000 0.439 345 L N 0.912 122.144 121.223 0.015 0.000 2.283 345 L HA 0.227 4.567 4.340 0.000 0.000 0.287 345 L C -1.785 175.094 176.870 0.016 0.000 1.073 345 L CA -1.340 53.509 54.840 0.014 0.000 0.822 345 L CB -0.080 41.988 42.059 0.015 0.000 1.186 345 L HN -0.222 nan 8.230 nan 0.000 0.436 346 P HA -0.005 nan 4.420 nan 0.000 0.288 346 P C 0.728 178.037 177.300 0.015 0.000 1.448 346 P CA 0.113 63.221 63.100 0.013 0.000 0.764 346 P CB 0.040 31.746 31.700 0.011 0.000 1.472 347 G N 0.443 109.254 108.800 0.018 0.000 2.594 347 G HA2 0.257 4.217 3.960 0.000 0.000 0.243 347 G HA3 0.257 4.217 3.960 0.000 0.000 0.243 347 G C 0.033 174.945 174.900 0.021 0.000 1.229 347 G CA -0.482 44.630 45.100 0.020 0.000 0.843 347 G HN 0.187 nan 8.290 nan 0.000 0.578 348 V N 0.893 120.819 119.914 0.020 0.000 2.584 348 V HA 0.208 4.328 4.120 0.000 0.000 0.303 348 V C -1.349 174.757 176.094 0.021 0.000 1.035 348 V CA -1.575 60.736 62.300 0.018 0.000 1.172 348 V CB -0.021 31.812 31.823 0.017 0.000 0.896 348 V HN 0.675 nan 8.190 nan 0.000 0.486 349 P HA 0.134 nan 4.420 nan 0.000 0.269 349 P C -0.446 176.863 177.300 0.015 0.000 1.209 349 P CA 0.035 63.145 63.100 0.017 0.000 0.776 349 P CB 0.457 32.164 31.700 0.012 0.000 0.876 350 Q N 0.063 119.871 119.800 0.014 0.000 2.451 350 Q HA -0.106 4.234 4.340 0.000 0.000 0.292 350 Q C 0.868 176.879 176.000 0.017 0.000 1.390 350 Q CA 0.462 56.270 55.803 0.009 0.000 0.753 350 Q CB -2.514 26.226 28.738 0.003 0.000 1.128 350 Q HN 0.832 nan 8.270 nan 0.000 0.402 351 G N 0.509 109.328 108.800 0.031 0.000 3.270 351 G HA2 0.033 3.993 3.960 0.000 0.000 0.207 351 G HA3 0.033 3.993 3.960 0.000 0.000 0.207 351 G C 0.691 175.614 174.900 0.038 0.000 1.249 351 G CA -0.094 45.031 45.100 0.041 0.000 1.214 351 G HN 0.465 nan 8.290 nan 0.000 0.502 352 L N 0.149 121.385 121.223 0.022 0.000 2.994 352 L HA 0.072 4.412 4.340 0.000 0.000 0.256 352 L C 1.528 178.407 176.870 0.016 0.000 1.315 352 L CA -0.275 54.573 54.840 0.013 0.000 1.143 352 L CB -0.055 42.004 42.059 0.000 0.000 1.530 352 L HN 0.086 nan 8.230 nan 0.000 0.422 353 K N 0.298 120.713 120.400 0.025 0.000 2.362 353 K HA -0.030 4.290 4.320 0.000 0.000 0.200 353 K C 1.206 177.820 176.600 0.022 0.000 1.046 353 K CA 0.635 56.936 56.287 0.024 0.000 0.952 353 K CB -0.266 32.254 32.500 0.033 0.000 0.753 353 K HN 0.405 nan 8.250 nan 0.000 0.466 354 V N 1.143 121.070 119.914 0.023 0.000 2.346 354 V HA 0.068 4.188 4.120 0.000 0.000 0.320 354 V C -0.517 175.579 176.094 0.004 0.000 1.663 354 V CA -1.184 61.126 62.300 0.017 0.000 1.667 354 V CB -1.692 30.146 31.823 0.025 0.000 1.465 354 V HN 0.106 nan 8.190 nan 0.000 0.524 355 D N -0.387 120.013 120.400 0.000 0.000 2.302 355 D HA 0.212 4.852 4.640 0.000 0.000 0.248 355 D C 0.881 177.174 176.300 -0.011 0.000 1.094 355 D CA -0.565 53.431 54.000 -0.006 0.000 0.897 355 D CB 1.217 42.014 40.800 -0.005 0.000 1.200 355 D HN 0.351 nan 8.370 nan 0.000 0.429 356 E N 0.273 120.465 120.200 -0.013 0.000 2.236 356 E HA -0.267 4.083 4.350 0.000 0.000 0.205 356 E C 1.354 177.941 176.600 -0.022 0.000 1.028 356 E CA 1.195 57.585 56.400 -0.017 0.000 0.827 356 E CB 0.048 29.740 29.700 -0.013 0.000 0.735 356 E HN 0.373 nan 8.360 nan 0.000 0.470 357 K N -0.374 120.014 120.400 -0.020 0.000 2.296 357 K HA 0.059 4.379 4.320 0.000 0.000 0.200 357 K C 1.766 178.348 176.600 -0.030 0.000 1.048 357 K CA 0.874 57.147 56.287 -0.025 0.000 0.966 357 K CB 0.127 32.615 32.500 -0.020 0.000 0.754 357 K HN 0.125 nan 8.250 nan 0.000 0.466 358 A N 0.660 123.465 122.820 -0.024 0.000 2.123 358 A HA 0.088 4.408 4.320 0.000 0.000 0.214 358 A C 2.031 179.591 177.584 -0.041 0.000 1.152 358 A CA 0.413 52.435 52.037 -0.025 0.000 0.728 358 A CB -0.227 18.769 19.000 -0.007 0.000 0.814 358 A HN 0.125 nan 8.150 nan 0.000 0.464 359 I N -0.810 119.733 120.570 -0.044 0.000 2.703 359 I HA -0.128 4.042 4.170 0.000 0.000 0.259 359 I C 2.129 178.193 176.117 -0.088 0.000 1.151 359 I CA 0.767 62.030 61.300 -0.062 0.000 1.470 359 I CB -0.145 37.826 38.000 -0.048 0.000 1.112 359 I HN 0.246 nan 8.210 nan 0.000 0.437 360 K N 0.698 121.055 120.400 -0.071 0.000 2.147 360 K HA -0.111 4.209 4.320 0.000 0.000 0.205 360 K C 2.164 178.704 176.600 -0.100 0.000 1.049 360 K CA 0.900 57.142 56.287 -0.075 0.000 0.936 360 K CB -0.091 32.377 32.500 -0.055 0.000 0.722 360 K HN 0.233 nan 8.250 nan 0.000 0.446 361 R N 0.908 121.347 120.500 -0.100 0.000 2.105 361 R HA -0.112 4.228 4.340 0.000 0.000 0.239 361 R C 2.259 178.439 176.300 -0.199 0.000 1.135 361 R CA 1.198 57.227 56.100 -0.118 0.000 0.967 361 R CB -0.655 29.589 30.300 -0.093 0.000 0.861 361 R HN 0.287 nan 8.270 nan 0.000 0.442 362 L N 0.258 121.322 121.223 -0.266 0.000 2.162 362 L HA -0.015 4.325 4.340 0.000 0.000 0.205 362 L C 2.259 178.909 176.870 -0.367 0.000 1.086 362 L CA 0.801 55.334 54.840 -0.512 0.000 0.778 362 L CB -0.434 41.268 42.059 -0.595 0.000 0.928 362 L HN 0.148 nan 8.230 nan 0.000 0.446 363 E N 0.645 120.722 120.200 -0.203 0.000 2.160 363 E HA -0.230 4.120 4.350 0.000 0.000 0.195 363 E C 2.187 178.718 176.600 -0.115 0.000 0.991 363 E CA 1.274 57.600 56.400 -0.124 0.000 0.810 363 E CB -0.035 29.616 29.700 -0.082 0.000 0.742 363 E HN 0.505 nan 8.360 nan 0.000 0.466 364 A N 0.519 123.261 122.820 -0.131 0.000 1.975 364 A HA -0.016 4.304 4.320 0.000 0.000 0.215 364 A C 2.034 179.551 177.584 -0.112 0.000 1.170 364 A CA 0.318 52.292 52.037 -0.105 0.000 0.656 364 A CB -0.172 18.771 19.000 -0.093 0.000 0.821 364 A HN 0.100 nan 8.150 nan 0.000 0.449 365 I N -0.122 120.346 120.570 -0.170 0.000 2.252 365 I HA -0.204 3.966 4.170 0.000 0.000 0.245 365 I C 2.293 178.364 176.117 -0.076 0.000 1.102 365 I CA 1.152 62.367 61.300 -0.143 0.000 1.385 365 I CB -0.269 37.582 38.000 -0.248 0.000 1.064 365 I HN 0.152 nan 8.210 nan 0.000 0.414 366 V N 0.467 120.332 119.914 -0.083 0.000 2.295 366 V HA -0.277 3.843 4.120 0.000 0.000 0.246 366 V C 2.424 178.512 176.094 -0.009 0.000 1.049 366 V CA 1.314 63.615 62.300 0.002 0.000 1.024 366 V CB -0.666 31.171 31.823 0.023 0.000 0.648 366 V HN 0.308 nan 8.190 nan 0.000 0.447 367 L N 0.471 121.677 121.223 -0.028 0.000 2.129 367 L HA -0.165 4.175 4.340 0.000 0.000 0.212 367 L C 2.315 179.174 176.870 -0.019 0.000 1.087 367 L CA 1.998 56.826 54.840 -0.019 0.000 0.757 367 L CB -0.924 41.118 42.059 -0.028 0.000 0.896 367 L HN 0.347 nan 8.230 nan 0.000 0.434 368 S N -1.707 113.977 115.700 -0.027 0.000 2.548 368 S HA 0.185 4.655 4.470 0.000 0.000 0.215 368 S C 0.915 175.509 174.600 -0.010 0.000 0.976 368 S CA -0.100 58.085 58.200 -0.025 0.000 0.908 368 S CB -0.047 63.132 63.200 -0.035 0.000 0.781 368 S HN 0.252 nan 8.310 nan 0.000 0.519 369 M N 1.621 121.221 119.600 0.000 0.000 2.250 369 M HA 0.157 4.637 4.480 0.000 0.000 0.344 369 M C 0.410 176.714 176.300 0.008 0.000 1.150 369 M CA 0.122 55.428 55.300 0.010 0.000 1.147 369 M CB 0.668 33.282 32.600 0.023 0.000 1.498 369 M HN -0.082 nan 8.290 nan 0.000 0.461 370 T N 3.928 118.487 114.554 0.009 0.000 2.926 370 T HA 0.085 4.435 4.350 0.000 0.000 0.307 370 T C -1.337 173.369 174.700 0.009 0.000 1.059 370 T CA -1.072 61.033 62.100 0.009 0.000 1.122 370 T CB 0.645 69.518 68.868 0.009 0.000 0.972 370 T HN 0.504 nan 8.240 nan 0.000 0.545 371 P HA -0.146 nan 4.420 nan 0.000 0.217 371 P C 1.094 178.400 177.300 0.010 0.000 1.148 371 P CA 1.164 64.270 63.100 0.010 0.000 0.828 371 P CB 0.365 32.072 31.700 0.012 0.000 0.783 372 E N 0.246 120.453 120.200 0.011 0.000 2.158 372 E HA -0.102 4.248 4.350 0.000 0.000 0.191 372 E C 1.948 178.556 176.600 0.012 0.000 0.982 372 E CA 0.775 57.182 56.400 0.012 0.000 0.823 372 E CB -0.233 29.474 29.700 0.012 0.000 0.766 372 E HN 0.498 nan 8.360 nan 0.000 0.468 373 E N 0.236 120.442 120.200 0.010 0.000 2.274 373 E HA -0.072 4.278 4.350 0.000 0.000 0.194 373 E C 2.030 178.629 176.600 -0.001 0.000 0.996 373 E CA 0.356 56.762 56.400 0.011 0.000 0.840 373 E CB 0.044 29.752 29.700 0.014 0.000 0.772 373 E HN 0.101 nan 8.360 nan 0.000 0.491 374 R N 0.886 121.382 120.500 -0.007 0.000 2.093 374 R HA 0.010 4.350 4.340 0.000 0.000 0.224 374 R C 2.116 178.397 176.300 -0.032 0.000 1.101 374 R CA 0.804 56.884 56.100 -0.033 0.000 0.979 374 R CB 0.034 30.323 30.300 -0.019 0.000 0.877 374 R HN 0.000 nan 8.270 nan 0.000 0.441 375 K N 0.033 120.435 120.400 0.002 0.000 2.148 375 K HA -0.105 4.215 4.320 0.000 0.000 0.204 375 K C 0.004 176.633 176.600 0.050 0.000 1.050 375 K CA 1.048 57.350 56.287 0.025 0.000 0.942 375 K CB 0.079 32.594 32.500 0.025 0.000 0.724 375 K HN 0.005 nan 8.250 nan 0.000 0.446 376 D N -1.051 119.375 120.400 0.043 0.000 2.668 376 D HA 0.161 4.801 4.640 0.000 0.000 0.247 376 D C -2.398 173.938 176.300 0.059 0.000 1.268 376 D CA -1.664 52.376 54.000 0.067 0.000 0.842 376 D CB 1.246 42.073 40.800 0.046 0.000 1.399 376 D HN -0.242 nan 8.370 nan 0.000 0.530 377 P HA -0.095 nan 4.420 nan 0.000 0.226 377 P C 1.218 178.551 177.300 0.055 0.000 1.146 377 P CA 0.712 63.844 63.100 0.054 0.000 0.773 377 P CB 0.281 32.011 31.700 0.050 0.000 0.772 378 R N 0.225 120.759 120.500 0.058 0.000 2.091 378 R HA -0.109 4.231 4.340 0.000 0.000 0.238 378 R C 2.292 178.605 176.300 0.021 0.000 1.136 378 R CA 1.491 57.609 56.100 0.031 0.000 0.959 378 R CB -1.167 29.144 30.300 0.019 0.000 0.856 378 R HN 0.310 nan 8.270 nan 0.000 0.437 379 I N -0.398 120.186 120.570 0.022 0.000 2.800 379 I HA -0.115 4.055 4.170 0.000 0.000 0.266 379 I C 0.260 176.387 176.117 0.016 0.000 1.249 379 I CA 0.603 61.913 61.300 0.016 0.000 1.458 379 I CB -0.486 37.524 38.000 0.016 0.000 1.093 379 I HN -0.010 nan 8.210 nan 0.000 0.466 380 L N 3.499 124.735 121.223 0.021 0.000 2.514 380 L HA 0.032 4.372 4.340 0.000 0.000 0.280 380 L C 0.576 177.456 176.870 0.017 0.000 1.223 380 L CA 0.352 55.204 54.840 0.021 0.000 0.864 380 L CB 0.047 42.123 42.059 0.028 0.000 1.118 380 L HN 0.560 nan 8.230 nan 0.000 0.494 381 N N 1.578 120.287 118.700 0.015 0.000 2.890 381 N HA 0.262 5.002 4.740 0.000 0.000 0.317 381 N C 0.603 176.121 175.510 0.014 0.000 1.355 381 N CA -0.096 52.961 53.050 0.012 0.000 0.803 381 N CB 1.507 40.000 38.487 0.009 0.000 1.465 381 N HN 0.470 nan 8.380 nan 0.000 0.591 382 G N -0.370 108.437 108.800 0.012 0.000 2.430 382 G HA2 -0.154 3.806 3.960 0.000 0.000 0.216 382 G HA3 -0.154 3.806 3.960 0.000 0.000 0.216 382 G C 1.243 176.149 174.900 0.011 0.000 1.146 382 G CA 0.679 45.787 45.100 0.012 0.000 0.793 382 G HN 0.585 nan 8.290 nan 0.000 0.537 383 S N -0.526 115.179 115.700 0.009 0.000 2.481 383 S HA 0.047 4.517 4.470 0.000 0.000 0.231 383 S C 2.370 176.975 174.600 0.008 0.000 0.996 383 S CA 0.716 58.920 58.200 0.007 0.000 0.942 383 S CB -0.091 63.112 63.200 0.006 0.000 0.768 383 S HN 0.405 nan 8.310 nan 0.000 0.520 384 R N 0.393 120.899 120.500 0.010 0.000 2.052 384 R HA 0.182 4.522 4.340 0.000 0.000 0.226 384 R C 2.654 178.962 176.300 0.015 0.000 1.145 384 R CA 1.020 57.127 56.100 0.012 0.000 0.952 384 R CB -0.181 30.128 30.300 0.015 0.000 0.847 384 R HN 0.290 nan 8.270 nan 0.000 0.431 385 R N 0.818 121.329 120.500 0.019 0.000 2.103 385 R HA -0.174 4.166 4.340 0.000 0.000 0.242 385 R C 2.268 178.578 176.300 0.017 0.000 1.142 385 R CA 1.145 57.260 56.100 0.024 0.000 0.960 385 R CB -0.312 30.006 30.300 0.029 0.000 0.858 385 R HN 0.078 nan 8.270 nan 0.000 0.439 386 K N 1.448 121.855 120.400 0.012 0.000 2.020 386 K HA -0.202 4.118 4.320 0.000 0.000 0.212 386 K C 2.087 178.689 176.600 0.003 0.000 1.050 386 K CA 1.560 57.851 56.287 0.007 0.000 0.929 386 K CB -0.277 32.227 32.500 0.006 0.000 0.714 386 K HN 0.127 nan 8.250 nan 0.000 0.443 387 R N 0.631 121.133 120.500 0.003 0.000 2.083 387 R HA -0.105 4.235 4.340 0.000 0.000 0.237 387 R C 2.459 178.756 176.300 -0.005 0.000 1.137 387 R CA 1.626 57.724 56.100 -0.002 0.000 0.951 387 R CB -0.350 29.950 30.300 -0.001 0.000 0.851 387 R HN 0.227 nan 8.270 nan 0.000 0.434 388 I N 0.941 121.511 120.570 0.001 0.000 2.179 388 I HA -0.236 3.934 4.170 0.000 0.000 0.242 388 I C 2.665 178.777 176.117 -0.008 0.000 1.088 388 I CA 1.301 62.600 61.300 -0.001 0.000 1.357 388 I CB -0.570 37.438 38.000 0.014 0.000 1.051 388 I HN 0.297 nan 8.210 nan 0.000 0.409 389 A N 0.845 123.664 122.820 -0.001 0.000 1.940 389 A HA -0.283 4.037 4.320 0.000 0.000 0.219 389 A C 2.267 179.842 177.584 -0.015 0.000 1.176 389 A CA 2.150 54.184 52.037 -0.006 0.000 0.631 389 A CB -0.432 18.569 19.000 0.002 0.000 0.814 389 A HN 0.276 nan 8.150 nan 0.000 0.446 390 K N -0.179 120.212 120.400 -0.014 0.000 2.007 390 K HA 0.027 4.347 4.320 0.000 0.000 0.206 390 K C 1.999 178.581 176.600 -0.029 0.000 1.047 390 K CA 1.763 58.039 56.287 -0.019 0.000 0.937 390 K CB -1.214 31.277 32.500 -0.016 0.000 0.718 390 K HN 0.247 nan 8.250 nan 0.000 0.438 391 G N -0.096 108.685 108.800 -0.031 0.000 2.442 391 G HA2 -0.284 3.677 3.960 0.000 0.000 0.219 391 G HA3 -0.284 3.677 3.960 0.000 0.000 0.219 391 G C 1.605 176.472 174.900 -0.054 0.000 1.141 391 G CA 1.596 46.670 45.100 -0.044 0.000 0.763 391 G HN 0.527 nan 8.290 nan 0.000 0.554 392 S N -0.685 114.985 115.700 -0.049 0.000 2.371 392 S HA 0.361 4.831 4.470 0.000 0.000 0.221 392 S C 1.752 176.319 174.600 -0.055 0.000 1.036 392 S CA 1.283 59.448 58.200 -0.058 0.000 0.965 392 S CB -0.160 63.003 63.200 -0.062 0.000 0.845 392 S HN 1.622 nan 8.310 nan 0.000 0.475 393 G N 1.042 109.816 108.800 -0.045 0.000 2.186 393 G HA2 0.011 3.971 3.960 0.000 0.000 0.130 393 G HA3 0.011 3.971 3.960 0.000 0.000 0.130 393 G C 0.012 174.890 174.900 -0.035 0.000 1.031 393 G CA 0.027 45.103 45.100 -0.039 0.000 0.697 393 G HN 1.170 nan 8.290 nan 0.000 0.494 394 T N -2.373 112.162 114.554 -0.032 0.000 2.773 394 T HA 0.846 5.196 4.350 0.000 0.000 0.278 394 T C 0.341 175.033 174.700 -0.013 0.000 1.011 394 T CA 0.217 62.302 62.100 -0.026 0.000 1.014 394 T CB 1.739 70.585 68.868 -0.036 0.000 1.293 394 T HN 1.536 nan 8.240 nan 0.000 0.554 395 S N -0.175 115.523 115.700 -0.004 0.000 2.565 395 S HA 0.414 4.884 4.470 0.000 0.000 0.290 395 S C 1.340 175.948 174.600 0.013 0.000 1.150 395 S CA -0.629 57.574 58.200 0.004 0.000 1.058 395 S CB 1.056 64.261 63.200 0.007 0.000 1.032 395 S HN 0.649 nan 8.310 nan 0.000 0.510 396 V N 2.338 122.260 119.914 0.014 0.000 2.636 396 V HA -0.239 3.881 4.120 0.000 0.000 0.258 396 V C 2.510 178.623 176.094 0.031 0.000 1.092 396 V CA 2.163 64.476 62.300 0.021 0.000 1.110 396 V CB -1.460 30.373 31.823 0.017 0.000 0.685 396 V HN 0.827 nan 8.190 nan 0.000 0.481 397 Q N 0.099 119.917 119.800 0.029 0.000 1.994 397 Q HA -0.133 4.207 4.340 0.000 0.000 0.198 397 Q C 2.308 178.341 176.000 0.055 0.000 0.976 397 Q CA 1.711 57.536 55.803 0.037 0.000 0.828 397 Q CB -0.375 28.381 28.738 0.030 0.000 0.894 397 Q HN 0.669 nan 8.270 nan 0.000 0.432 398 E N -0.239 119.990 120.200 0.049 0.000 2.114 398 E HA -0.226 4.124 4.350 0.000 0.000 0.199 398 E C 1.971 178.637 176.600 0.110 0.000 1.008 398 E CA 1.540 57.978 56.400 0.064 0.000 0.810 398 E CB -0.184 29.532 29.700 0.026 0.000 0.739 398 E HN 0.118 nan 8.360 nan 0.000 0.456 399 V N 2.004 121.973 119.914 0.092 0.000 2.244 399 V HA -0.272 3.848 4.120 0.000 0.000 0.244 399 V C 2.315 178.514 176.094 0.175 0.000 1.042 399 V CA 1.883 64.266 62.300 0.138 0.000 1.006 399 V CB -0.626 31.247 31.823 0.084 0.000 0.641 399 V HN 0.373 nan 8.190 nan 0.000 0.446 400 N N 0.265 119.030 118.700 0.109 0.000 2.149 400 N HA -0.239 4.501 4.740 0.000 0.000 0.188 400 N C 2.115 177.681 175.510 0.092 0.000 1.019 400 N CA 1.927 55.028 53.050 0.085 0.000 0.857 400 N CB -0.178 38.342 38.487 0.054 0.000 0.997 400 N HN 0.441 nan 8.380 nan 0.000 0.426 401 R N -0.433 120.133 120.500 0.111 0.000 2.070 401 R HA -0.164 4.176 4.340 0.000 0.000 0.232 401 R C 2.319 178.715 176.300 0.159 0.000 1.138 401 R CA 1.465 57.632 56.100 0.112 0.000 0.936 401 R CB -0.710 29.658 30.300 0.114 0.000 0.839 401 R HN 0.230 nan 8.270 nan 0.000 0.429 402 F N 1.587 121.581 119.950 0.073 0.000 2.115 402 F HA -0.238 4.289 4.527 0.000 0.000 0.300 402 F C 1.839 177.704 175.800 0.109 0.000 1.092 402 F CA 1.687 59.759 58.000 0.120 0.000 1.245 402 F CB -0.319 38.745 39.000 0.107 0.000 0.995 402 F HN 0.043 nan 8.300 nan 0.000 0.481 403 I N 0.151 120.707 120.570 -0.023 0.000 2.202 403 I HA -0.292 3.878 4.170 0.000 0.000 0.242 403 I C 2.314 178.367 176.117 -0.106 0.000 1.091 403 I CA 1.122 62.345 61.300 -0.128 0.000 1.368 403 I CB -0.554 37.455 38.000 0.016 0.000 1.058 403 I HN -0.027 nan 8.210 nan 0.000 0.410 404 K N 1.096 121.464 120.400 -0.054 0.000 2.147 404 K HA -0.084 4.236 4.320 0.000 0.000 0.205 404 K C 2.156 178.679 176.600 -0.128 0.000 1.049 404 K CA 1.527 57.771 56.287 -0.072 0.000 0.936 404 K CB -0.695 31.788 32.500 -0.027 0.000 0.722 404 K HN 0.348 nan 8.250 nan 0.000 0.446 405 A N 0.607 123.357 122.820 -0.118 0.000 1.969 405 A HA -0.140 4.180 4.320 0.000 0.000 0.218 405 A C 2.034 179.359 177.584 -0.431 0.000 1.169 405 A CA 1.017 52.979 52.037 -0.125 0.000 0.635 405 A CB -0.518 18.530 19.000 0.079 0.000 0.810 405 A HN 0.293 nan 8.150 nan 0.000 0.445 406 F N 0.609 120.041 119.950 -0.863 0.000 2.053 406 F HA -0.044 4.483 4.527 0.000 0.000 0.292 406 F C 2.041 177.466 175.800 -0.624 0.000 1.125 406 F CA 1.906 59.168 58.000 -1.230 0.000 1.193 406 F CB -0.830 37.533 39.000 -1.061 0.000 0.996 406 F HN 0.349 nan 8.300 nan 0.000 0.470 407 E N -0.035 119.781 120.200 -0.639 0.000 2.136 407 E HA -0.361 3.989 4.350 0.000 0.000 0.202 407 E C 2.252 178.572 176.600 -0.468 0.000 1.019 407 E CA 1.967 58.014 56.400 -0.589 0.000 0.819 407 E CB -0.327 29.213 29.700 -0.265 0.000 0.739 407 E HN 0.674 nan 8.360 nan 0.000 0.458 408 E N -0.335 119.659 120.200 -0.342 0.000 2.107 408 E HA -0.203 4.147 4.350 0.000 0.000 0.191 408 E C 2.011 178.471 176.600 -0.234 0.000 0.982 408 E CA 1.048 57.309 56.400 -0.232 0.000 0.809 408 E CB -0.023 29.589 29.700 -0.147 0.000 0.756 408 E HN 0.171 nan 8.360 nan 0.000 0.459 409 M N 1.089 120.515 119.600 -0.291 0.000 2.254 409 M HA -0.085 4.395 4.480 0.000 0.000 0.265 409 M C 1.936 178.097 176.300 -0.232 0.000 1.066 409 M CA 1.589 56.776 55.300 -0.188 0.000 1.123 409 M CB -0.008 32.536 32.600 -0.094 0.000 1.388 409 M HN -0.112 nan 8.290 nan 0.000 0.425 410 K N -0.268 119.864 120.400 -0.446 0.000 2.026 410 K HA -0.095 4.225 4.320 0.000 0.000 0.208 410 K C 1.874 178.322 176.600 -0.253 0.000 1.048 410 K CA 1.485 57.521 56.287 -0.417 0.000 0.929 410 K CB -0.291 31.760 32.500 -0.748 0.000 0.713 410 K HN 0.422 nan 8.250 nan 0.000 0.439 411 A N 1.444 124.115 122.820 -0.249 0.000 1.858 411 A HA -0.172 4.148 4.320 0.000 0.000 0.216 411 A C 2.080 179.595 177.584 -0.114 0.000 1.190 411 A CA 1.632 53.572 52.037 -0.162 0.000 0.617 411 A CB -0.807 18.103 19.000 -0.151 0.000 0.827 411 A HN 0.422 nan 8.150 nan 0.000 0.443 412 L N -1.004 120.154 121.223 -0.108 0.000 1.989 412 L HA -0.179 4.161 4.340 0.000 0.000 0.211 412 L C 2.389 179.224 176.870 -0.059 0.000 1.071 412 L CA 3.014 57.811 54.840 -0.071 0.000 0.749 412 L CB -0.686 41.337 42.059 -0.059 0.000 0.890 412 L HN 0.389 nan 8.230 nan 0.000 0.431 413 M N -0.309 119.253 119.600 -0.063 0.000 2.144 413 M HA -0.259 4.221 4.480 0.000 0.000 0.260 413 M C 2.302 178.577 176.300 -0.042 0.000 1.067 413 M CA 2.029 57.305 55.300 -0.040 0.000 1.095 413 M CB -0.415 32.166 32.600 -0.032 0.000 1.365 413 M HN 0.397 nan 8.290 nan 0.000 0.406 414 K N -1.405 118.958 120.400 -0.061 0.000 2.044 414 K HA -0.067 4.253 4.320 0.000 0.000 0.204 414 K C 1.985 178.559 176.600 -0.043 0.000 1.049 414 K CA 1.473 57.728 56.287 -0.053 0.000 0.945 414 K CB -0.106 32.352 32.500 -0.069 0.000 0.724 414 K HN 0.284 nan 8.250 nan 0.000 0.440 415 S N 1.622 117.293 115.700 -0.048 0.000 2.359 415 S HA -0.126 4.344 4.470 0.000 0.000 0.222 415 S C 1.615 176.197 174.600 -0.030 0.000 1.038 415 S CA 1.197 59.373 58.200 -0.039 0.000 1.051 415 S CB -0.321 62.854 63.200 -0.041 0.000 0.944 415 S HN 0.315 nan 8.310 nan 0.000 0.433 416 L N 1.073 122.278 121.223 -0.030 0.000 2.757 416 L HA -0.115 4.225 4.340 0.000 0.000 0.243 416 L C 2.111 178.969 176.870 -0.019 0.000 1.182 416 L CA 0.666 55.492 54.840 -0.023 0.000 0.851 416 L CB -0.355 41.690 42.059 -0.022 0.000 0.989 416 L HN 0.295 nan 8.230 nan 0.000 0.457 417 E N -0.007 120.181 120.200 -0.020 0.000 2.152 417 E HA 0.044 4.394 4.350 0.000 0.000 0.195 417 E C 0.817 177.408 176.600 -0.014 0.000 0.934 417 E CA 0.372 56.762 56.400 -0.015 0.000 0.869 417 E CB 0.368 30.059 29.700 -0.015 0.000 0.842 417 E HN 0.192 nan 8.360 nan 0.000 0.472 418 K N 0.000 120.390 120.400 -0.017 0.000 2.780 418 K HA 0.000 4.320 4.320 0.000 0.000 0.191 418 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 418 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 418 K HN 0.000 nan 8.250 nan 0.000 0.543