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 1kf6_1_M DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.335 176.300 0.059 0.000 1.140 0 M CA 0.000 55.325 55.300 0.041 0.000 0.988 0 M CB 0.000 32.622 32.600 0.037 0.000 1.302 1 Q N -0.422 119.419 119.800 0.069 0.000 3.104 1 Q HA 0.377 4.714 4.340 -0.004 0.000 0.331 1 Q C -2.011 174.044 176.000 0.092 0.000 0.844 1 Q CA -0.304 55.543 55.803 0.074 0.000 0.870 1 Q CB 1.834 30.659 28.738 0.144 0.000 1.484 1 Q HN 0.657 nan 8.270 nan 0.000 0.489 2 T N 0.707 115.283 114.554 0.037 0.000 2.942 2 T HA 0.693 5.041 4.350 -0.004 0.000 0.327 2 T C -1.772 172.905 174.700 -0.038 0.000 1.360 2 T CA -0.427 61.722 62.100 0.082 0.000 1.055 2 T CB 0.682 69.558 68.868 0.012 0.000 1.261 2 T HN 0.322 nan 8.240 nan 0.000 0.485 3 F N 1.452 121.420 119.950 0.030 0.000 2.565 3 F HA 0.632 5.158 4.527 -0.002 0.000 0.313 3 F C 0.055 175.871 175.800 0.027 0.000 1.091 3 F CA -0.981 57.056 58.000 0.062 0.000 0.915 3 F CB 2.137 41.225 39.000 0.146 0.000 1.208 3 F HN 0.294 nan 8.300 nan 0.000 0.453 4 Q N 2.299 122.205 119.800 0.177 0.000 2.331 4 Q HA 0.749 5.087 4.340 -0.004 0.000 0.257 4 Q C -1.328 174.741 176.000 0.116 0.000 0.957 4 Q CA -0.337 55.527 55.803 0.103 0.000 0.923 4 Q CB 1.213 29.983 28.738 0.054 0.000 1.212 4 Q HN 0.746 nan 8.270 nan 0.000 0.443 5 A N 3.861 126.726 122.820 0.075 0.000 2.515 5 A HA 0.549 4.866 4.320 -0.004 0.000 0.298 5 A C -0.390 177.209 177.584 0.024 0.000 1.059 5 A CA -0.702 51.369 52.037 0.056 0.000 0.698 5 A CB 1.258 20.281 19.000 0.038 0.000 1.289 5 A HN 0.691 nan 8.150 nan 0.000 0.404 6 D N 0.561 120.972 120.400 0.018 0.000 2.087 6 D HA 0.036 4.673 4.640 -0.004 0.000 0.203 6 D C 0.491 176.781 176.300 -0.017 0.000 0.976 6 D CA 1.550 55.551 54.000 0.002 0.000 0.865 6 D CB -0.162 40.636 40.800 -0.002 0.000 1.005 6 D HN 0.531 nan 8.370 nan 0.000 0.449 7 L N 0.497 121.698 121.223 -0.035 0.000 2.282 7 L HA 0.602 4.940 4.340 -0.004 0.000 0.288 7 L C -0.277 176.554 176.870 -0.064 0.000 1.033 7 L CA -0.937 53.861 54.840 -0.070 0.000 0.807 7 L CB 1.693 43.692 42.059 -0.101 0.000 1.209 7 L HN -0.075 nan 8.230 nan 0.000 0.423 8 A N 5.589 128.363 122.820 -0.076 0.000 2.277 8 A HA 0.642 4.960 4.320 -0.004 0.000 0.318 8 A C -0.336 177.198 177.584 -0.082 0.000 1.339 8 A CA -0.390 51.593 52.037 -0.091 0.000 0.875 8 A CB 0.158 19.095 19.000 -0.105 0.000 1.158 8 A HN 0.698 nan 8.150 nan 0.000 0.514 9 I N 3.389 123.918 120.570 -0.069 0.000 2.325 9 I HA 0.198 4.366 4.170 -0.004 0.000 0.291 9 I C -0.430 175.666 176.117 -0.036 0.000 1.019 9 I CA -0.551 60.722 61.300 -0.046 0.000 1.302 9 I CB 1.620 39.603 38.000 -0.028 0.000 1.401 9 I HN 0.274 nan 8.210 nan 0.000 0.485 10 V N 5.920 125.818 119.914 -0.026 0.000 2.385 10 V HA 0.670 4.788 4.120 -0.004 0.000 0.269 10 V C 0.545 176.636 176.094 -0.006 0.000 1.043 10 V CA -0.313 61.973 62.300 -0.023 0.000 0.906 10 V CB 0.558 32.371 31.823 -0.017 0.000 0.995 10 V HN 1.073 nan 8.190 nan 0.000 0.467 11 G N 4.126 112.923 108.800 -0.006 0.000 3.355 11 G HA2 0.253 4.211 3.960 -0.004 0.000 0.686 11 G HA3 0.253 4.211 3.960 -0.004 0.000 0.686 11 G C 0.007 174.927 174.900 0.032 0.000 1.097 11 G CA -0.237 44.865 45.100 0.005 0.000 0.881 11 G HN 1.437 nan 8.290 nan 0.000 0.550 12 A N 1.904 124.749 122.820 0.040 0.000 2.460 12 A HA 0.725 5.043 4.320 -0.004 0.000 0.258 12 A C 1.734 179.365 177.584 0.078 0.000 1.300 12 A CA 1.331 53.410 52.037 0.071 0.000 0.913 12 A CB -0.246 18.802 19.000 0.081 0.000 1.031 12 A HN 2.213 nan 8.150 nan 0.000 0.512 13 G N -0.770 108.072 108.800 0.070 0.000 2.466 13 G HA2 0.317 4.274 3.960 -0.004 0.000 0.279 13 G HA3 0.317 4.274 3.960 -0.004 0.000 0.279 13 G C 1.196 176.161 174.900 0.109 0.000 1.410 13 G CA 0.124 45.275 45.100 0.085 0.000 1.065 13 G HN 0.498 nan 8.290 nan 0.000 0.547 14 G N -0.524 108.349 108.800 0.122 0.000 2.422 14 G HA2 0.081 4.039 3.960 -0.004 0.000 0.218 14 G HA3 0.081 4.039 3.960 -0.004 0.000 0.218 14 G C 1.913 176.902 174.900 0.149 0.000 1.146 14 G CA 1.820 47.007 45.100 0.144 0.000 0.769 14 G HN 0.879 nan 8.290 nan 0.000 0.547 15 A N 1.054 123.955 122.820 0.135 0.000 1.832 15 A HA 0.227 4.545 4.320 -0.004 0.000 0.214 15 A C 2.772 180.425 177.584 0.114 0.000 1.200 15 A CA 2.092 54.209 52.037 0.134 0.000 0.610 15 A CB -1.390 17.683 19.000 0.121 0.000 0.842 15 A HN 0.591 nan 8.150 nan 0.000 0.444 16 G N 0.105 108.960 108.800 0.092 0.000 2.649 16 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.220 16 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.220 16 G C 1.583 176.531 174.900 0.079 0.000 1.189 16 G CA 1.424 46.567 45.100 0.072 0.000 0.777 16 G HN 0.429 nan 8.290 nan 0.000 0.602 17 L N -0.249 121.037 121.223 0.105 0.000 1.990 17 L HA -0.137 4.201 4.340 -0.004 0.000 0.213 17 L C 2.940 179.876 176.870 0.110 0.000 1.072 17 L CA 1.685 56.593 54.840 0.113 0.000 0.755 17 L CB -0.410 41.741 42.059 0.154 0.000 0.889 17 L HN 0.182 nan 8.230 nan 0.000 0.432 18 R N 0.503 121.093 120.500 0.151 0.000 2.127 18 R HA -0.164 4.173 4.340 -0.004 0.000 0.238 18 R C 2.069 178.438 176.300 0.115 0.000 1.134 18 R CA 1.730 57.939 56.100 0.182 0.000 0.975 18 R CB -0.609 29.801 30.300 0.184 0.000 0.865 18 R HN 0.385 nan 8.270 nan 0.000 0.447 19 A N -0.142 122.724 122.820 0.076 0.000 1.897 19 A HA 0.105 4.423 4.320 -0.004 0.000 0.215 19 A C 2.341 179.914 177.584 -0.019 0.000 1.181 19 A CA 1.385 53.440 52.037 0.030 0.000 0.620 19 A CB -0.951 18.063 19.000 0.023 0.000 0.821 19 A HN 0.438 nan 8.150 nan 0.000 0.443 20 A N -0.054 122.754 122.820 -0.021 0.000 1.972 20 A HA -0.041 4.276 4.320 -0.004 0.000 0.219 20 A C 2.049 179.543 177.584 -0.150 0.000 1.169 20 A CA 1.481 53.482 52.037 -0.060 0.000 0.635 20 A CB -0.583 18.404 19.000 -0.023 0.000 0.810 20 A HN 0.508 nan 8.150 nan 0.000 0.446 21 I N -0.616 119.858 120.570 -0.159 0.000 2.500 21 I HA -0.159 4.009 4.170 -0.004 0.000 0.252 21 I C 2.810 178.763 176.117 -0.272 0.000 1.142 21 I CA 0.861 61.940 61.300 -0.368 0.000 1.451 21 I CB -0.265 37.603 38.000 -0.219 0.000 1.093 21 I HN 0.327 nan 8.210 nan 0.000 0.430 22 A N 0.827 123.603 122.820 -0.075 0.000 1.968 22 A HA 0.014 4.332 4.320 -0.004 0.000 0.217 22 A C 2.520 180.059 177.584 -0.075 0.000 1.169 22 A CA 1.452 53.471 52.037 -0.030 0.000 0.638 22 A CB -0.512 18.501 19.000 0.022 0.000 0.812 22 A HN 0.393 nan 8.150 nan 0.000 0.446 23 A N -0.099 122.660 122.820 -0.102 0.000 1.897 23 A HA 0.253 4.571 4.320 -0.004 0.000 0.215 23 A C 2.423 179.943 177.584 -0.107 0.000 1.181 23 A CA 1.723 53.704 52.037 -0.094 0.000 0.620 23 A CB -0.828 18.116 19.000 -0.093 0.000 0.821 23 A HN 0.958 nan 8.150 nan 0.000 0.443 24 A N -0.846 121.858 122.820 -0.193 0.000 2.014 24 A HA -0.098 4.219 4.320 -0.004 0.000 0.218 24 A C 2.015 179.520 177.584 -0.130 0.000 1.163 24 A CA 1.263 53.190 52.037 -0.183 0.000 0.652 24 A CB -0.358 18.443 19.000 -0.333 0.000 0.808 24 A HN 0.619 nan 8.150 nan 0.000 0.449 25 Q N -0.861 118.832 119.800 -0.178 0.000 2.389 25 Q HA 0.128 4.465 4.340 -0.004 0.000 0.204 25 Q C 2.132 178.138 176.000 0.011 0.000 0.944 25 Q CA 0.742 56.530 55.803 -0.026 0.000 0.908 25 Q CB -0.059 28.686 28.738 0.013 0.000 1.002 25 Q HN 0.681 nan 8.270 nan 0.000 0.493 26 A N 1.893 124.704 122.820 -0.017 0.000 1.844 26 A HA -0.046 4.272 4.320 -0.004 0.000 0.212 26 A C 1.119 178.707 177.584 0.006 0.000 1.221 26 A CA 0.599 52.635 52.037 -0.001 0.000 0.607 26 A CB -0.138 18.853 19.000 -0.014 0.000 0.878 26 A HN 0.294 nan 8.150 nan 0.000 0.451 27 N N 0.230 118.928 118.700 -0.003 0.000 2.936 27 N HA 0.280 5.017 4.740 -0.004 0.000 0.243 27 N C -2.372 173.150 175.510 0.020 0.000 1.149 27 N CA -1.700 51.355 53.050 0.008 0.000 0.914 27 N CB 1.114 39.601 38.487 0.001 0.000 1.179 27 N HN -0.057 nan 8.380 nan 0.000 0.502 28 P HA -0.123 nan 4.420 nan 0.000 0.221 28 P C 0.173 177.503 177.300 0.049 0.000 1.141 28 P CA 1.120 64.255 63.100 0.057 0.000 0.794 28 P CB 0.175 31.910 31.700 0.059 0.000 0.764 29 N N -1.549 117.172 118.700 0.035 0.000 2.203 29 N HA 0.160 4.898 4.740 -0.004 0.000 0.207 29 N C 0.528 176.056 175.510 0.030 0.000 1.130 29 N CA -0.056 53.013 53.050 0.032 0.000 0.861 29 N CB 0.268 38.770 38.487 0.025 0.000 1.005 29 N HN 0.062 nan 8.380 nan 0.000 0.507 30 A N 0.930 123.766 122.820 0.027 0.000 2.386 30 A HA 0.197 4.515 4.320 -0.004 0.000 0.246 30 A C 0.665 178.271 177.584 0.035 0.000 1.089 30 A CA 0.201 52.251 52.037 0.022 0.000 0.790 30 A CB 0.565 19.568 19.000 0.005 0.000 1.042 30 A HN -0.053 nan 8.150 nan 0.000 0.497 31 K N 1.915 122.337 120.400 0.037 0.000 2.592 31 K HA 0.370 4.687 4.320 -0.004 0.000 0.212 31 K C -1.423 175.210 176.600 0.055 0.000 1.013 31 K CA -0.047 56.276 56.287 0.060 0.000 1.034 31 K CB 0.154 32.698 32.500 0.072 0.000 1.292 31 K HN 0.621 nan 8.250 nan 0.000 0.521 32 I N 2.676 123.276 120.570 0.049 0.000 2.322 32 I HA 0.192 4.360 4.170 -0.004 0.000 0.292 32 I C 0.661 176.816 176.117 0.063 0.000 1.060 32 I CA -0.565 60.753 61.300 0.030 0.000 1.309 32 I CB 1.393 39.397 38.000 0.005 0.000 1.415 32 I HN 0.390 nan 8.210 nan 0.000 0.492 33 A N 7.702 130.538 122.820 0.026 0.000 2.807 33 A HA 0.328 4.646 4.320 -0.004 0.000 0.307 33 A C -0.194 177.377 177.584 -0.022 0.000 1.532 33 A CA -0.449 51.593 52.037 0.009 0.000 1.215 33 A CB -0.218 18.641 19.000 -0.235 0.000 1.127 33 A HN 0.640 nan 8.150 nan 0.000 0.543 34 L N 4.651 125.926 121.223 0.087 0.000 2.454 34 L HA 0.400 4.738 4.340 -0.004 0.000 0.284 34 L C -0.104 176.836 176.870 0.117 0.000 1.139 34 L CA 0.078 54.965 54.840 0.078 0.000 0.911 34 L CB -0.363 41.755 42.059 0.098 0.000 1.262 34 L HN 0.615 nan 8.230 nan 0.000 0.453 35 I N 3.718 124.308 120.570 0.033 0.000 2.676 35 I HA 0.721 4.889 4.170 -0.004 0.000 0.309 35 I C -0.534 175.606 176.117 0.037 0.000 0.990 35 I CA -0.185 61.151 61.300 0.061 0.000 1.168 35 I CB 1.809 39.774 38.000 -0.059 0.000 1.343 35 I HN 0.693 nan 8.210 nan 0.000 0.482 36 S N 4.586 120.310 115.700 0.039 0.000 2.560 36 S HA 0.229 4.697 4.470 -0.004 0.000 0.283 36 S C -0.106 174.465 174.600 -0.048 0.000 1.141 36 S CA -0.716 57.474 58.200 -0.015 0.000 0.902 36 S CB 1.319 64.516 63.200 -0.004 0.000 1.104 36 S HN 0.854 nan 8.310 nan 0.000 0.454 37 K N 1.894 122.231 120.400 -0.106 0.000 2.525 37 K HA 0.228 4.546 4.320 -0.004 0.000 0.192 37 K C 0.576 177.128 176.600 -0.080 0.000 1.029 37 K CA 0.672 56.883 56.287 -0.127 0.000 1.029 37 K CB -0.390 31.931 32.500 -0.298 0.000 0.814 37 K HN 0.704 nan 8.250 nan 0.000 0.503 38 V N -2.689 117.184 119.914 -0.069 0.000 3.049 38 V HA 0.394 4.512 4.120 -0.004 0.000 0.309 38 V C -0.858 175.202 176.094 -0.058 0.000 1.148 38 V CA -1.567 60.724 62.300 -0.016 0.000 0.990 38 V CB 0.804 32.653 31.823 0.043 0.000 1.039 38 V HN 0.056 nan 8.190 nan 0.000 0.430 39 Y N 3.315 123.604 120.300 -0.018 0.000 2.712 39 Y HA 0.193 4.741 4.550 -0.004 0.000 0.333 39 Y C -1.167 174.638 175.900 -0.158 0.000 1.225 39 Y CA -0.083 57.968 58.100 -0.082 0.000 1.499 39 Y CB 0.338 38.732 38.460 -0.110 0.000 1.288 39 Y HN 0.536 nan 8.280 nan 0.000 0.575 40 P HA -0.370 nan 4.420 nan 0.000 0.222 40 P C 1.646 178.796 177.300 -0.250 0.000 1.155 40 P CA 2.532 65.528 63.100 -0.172 0.000 0.890 40 P CB -0.020 31.578 31.700 -0.170 0.000 0.790 41 M N -2.937 116.393 119.600 -0.450 0.000 2.557 41 M HA 0.009 4.487 4.480 -0.004 0.000 0.259 41 M C 1.009 177.306 176.300 -0.005 0.000 1.086 41 M CA 1.773 56.911 55.300 -0.270 0.000 1.096 41 M CB -0.926 31.408 32.600 -0.442 0.000 1.424 41 M HN -0.142 nan 8.290 nan 0.000 0.488 42 R N 2.166 122.669 120.500 0.005 0.000 2.319 42 R HA 0.201 4.539 4.340 -0.004 0.000 0.204 42 R C 0.888 177.230 176.300 0.071 0.000 0.954 42 R CA 0.452 56.592 56.100 0.067 0.000 1.066 42 R CB -1.003 29.350 30.300 0.088 0.000 0.991 42 R HN 0.668 nan 8.270 nan 0.000 0.486 43 S N -0.615 115.118 115.700 0.055 0.000 2.596 43 S HA -0.020 4.448 4.470 -0.004 0.000 0.260 43 S C 1.127 175.793 174.600 0.110 0.000 1.336 43 S CA -0.294 57.951 58.200 0.075 0.000 0.993 43 S CB 0.888 64.126 63.200 0.062 0.000 0.923 43 S HN 0.344 nan 8.310 nan 0.000 0.567 44 H N 0.558 119.648 119.070 0.033 0.000 2.521 44 H HA 0.047 4.600 4.556 -0.004 0.000 0.286 44 H C 1.751 177.116 175.328 0.061 0.000 1.034 44 H CA 1.975 58.046 56.048 0.038 0.000 1.278 44 H CB -0.730 29.039 29.762 0.011 0.000 1.386 44 H HN 0.733 nan 8.280 nan 0.000 0.567 45 T N -0.803 113.787 114.554 0.060 0.000 2.897 45 T HA -0.165 4.183 4.350 -0.004 0.000 0.271 45 T C 2.143 176.844 174.700 0.001 0.000 1.084 45 T CA 1.081 63.206 62.100 0.041 0.000 1.123 45 T CB -0.501 68.424 68.868 0.096 0.000 0.865 45 T HN 0.239 nan 8.240 nan 0.000 0.496 46 V N 1.299 121.217 119.914 0.006 0.000 2.594 46 V HA -0.079 4.039 4.120 -0.004 0.000 0.253 46 V C 2.479 178.597 176.094 0.039 0.000 1.069 46 V CA 1.701 64.044 62.300 0.071 0.000 1.082 46 V CB -0.773 31.132 31.823 0.137 0.000 0.680 46 V HN 0.529 nan 8.190 nan 0.000 0.469 47 A N -0.108 122.628 122.820 -0.140 0.000 2.119 47 A HA 0.418 4.736 4.320 -0.004 0.000 0.216 47 A C 1.454 178.968 177.584 -0.117 0.000 1.152 47 A CA 0.793 52.725 52.037 -0.175 0.000 0.708 47 A CB -0.608 18.149 19.000 -0.405 0.000 0.805 47 A HN 0.820 nan 8.150 nan 0.000 0.460 48 A N 0.020 122.795 122.820 -0.074 0.000 2.540 48 A HA 0.331 4.649 4.320 -0.004 0.000 0.239 48 A C 0.631 178.230 177.584 0.025 0.000 1.061 48 A CA 0.534 52.569 52.037 -0.002 0.000 0.758 48 A CB 0.059 19.085 19.000 0.043 0.000 0.991 48 A HN 0.541 nan 8.150 nan 0.000 0.502 49 E N 1.662 121.865 120.200 0.005 0.000 2.474 49 E HA 0.095 4.443 4.350 -0.004 0.000 0.215 49 E C 1.854 178.467 176.600 0.021 0.000 0.867 49 E CA 0.539 56.957 56.400 0.031 0.000 1.135 49 E CB 0.429 30.113 29.700 -0.027 0.000 1.147 49 E HN 0.795 nan 8.360 nan 0.000 0.534 50 G N 1.173 109.913 108.800 -0.100 0.000 2.454 50 G HA2 0.285 4.243 3.960 -0.004 0.000 0.214 50 G HA3 0.285 4.243 3.960 -0.004 0.000 0.214 50 G C 0.737 175.314 174.900 -0.539 0.000 1.217 50 G CA 0.751 45.555 45.100 -0.493 0.000 0.799 50 G HN 0.425 nan 8.290 nan 0.000 0.538 51 G N -2.030 106.601 108.800 -0.281 0.000 2.356 51 G HA2 0.405 4.363 3.960 -0.004 0.000 0.288 51 G HA3 0.405 4.363 3.960 -0.004 0.000 0.288 51 G C -1.423 173.506 174.900 0.048 0.000 1.302 51 G CA 0.397 45.481 45.100 -0.026 0.000 0.887 51 G HN 0.784 nan 8.290 nan 0.000 0.521 52 S N -0.854 114.943 115.700 0.160 0.000 2.614 52 S HA 0.758 5.226 4.470 -0.004 0.000 0.288 52 S C 0.244 174.855 174.600 0.019 0.000 1.137 52 S CA 0.509 58.779 58.200 0.117 0.000 0.992 52 S CB 0.915 64.232 63.200 0.196 0.000 1.026 52 S HN 1.930 nan 8.310 nan 0.000 0.486 53 A N 3.128 125.943 122.820 -0.008 0.000 2.340 53 A HA 0.875 5.193 4.320 -0.004 0.000 0.268 53 A C 0.148 177.556 177.584 -0.294 0.000 1.100 53 A CA -0.016 51.949 52.037 -0.120 0.000 0.803 53 A CB 0.402 19.305 19.000 -0.162 0.000 1.043 53 A HN 1.657 nan 8.150 nan 0.000 0.488 54 A N 1.546 124.146 122.820 -0.367 0.000 2.549 54 A HA 0.498 4.815 4.320 -0.004 0.000 0.306 54 A C -0.640 176.788 177.584 -0.259 0.000 1.053 54 A CA -0.579 51.177 52.037 -0.467 0.000 0.892 54 A CB 0.022 18.454 19.000 -0.947 0.000 1.329 54 A HN 1.537 nan 8.150 nan 0.000 0.388 55 V N 1.729 121.483 119.914 -0.266 0.000 2.625 55 V HA 0.268 4.386 4.120 -0.004 0.000 0.305 55 V C 1.248 177.275 176.094 -0.111 0.000 1.055 55 V CA 1.541 63.702 62.300 -0.233 0.000 1.209 55 V CB 0.155 31.707 31.823 -0.451 0.000 0.877 55 V HN 1.528 nan 8.190 nan 0.000 0.489 56 A N 3.836 126.645 122.820 -0.018 0.000 1.948 56 A HA 0.263 4.580 4.320 -0.004 0.000 0.197 56 A C 0.833 178.399 177.584 -0.029 0.000 1.911 56 A CA -0.206 51.875 52.037 0.072 0.000 1.011 56 A CB -0.177 18.929 19.000 0.177 0.000 1.119 56 A HN 0.691 nan 8.150 nan 0.000 0.621 57 Q N 1.021 120.774 119.800 -0.079 0.000 2.361 57 Q HA 0.092 4.430 4.340 -0.004 0.000 0.276 57 Q C -0.040 175.894 176.000 -0.109 0.000 1.022 57 Q CA 0.158 55.912 55.803 -0.082 0.000 0.898 57 Q CB 0.797 29.451 28.738 -0.140 0.000 1.246 57 Q HN 0.501 nan 8.270 nan 0.000 0.410 58 D N 1.003 121.398 120.400 -0.007 0.000 2.269 58 D HA -0.129 4.509 4.640 -0.004 0.000 0.208 58 D C 0.806 177.136 176.300 0.050 0.000 0.963 58 D CA 0.721 54.728 54.000 0.012 0.000 0.864 58 D CB 0.188 41.018 40.800 0.050 0.000 0.936 58 D HN 0.684 nan 8.370 nan 0.000 0.505 59 H N -1.131 117.967 119.070 0.048 0.000 2.933 59 H HA 0.334 4.888 4.556 -0.004 0.000 0.306 59 H C -0.539 174.862 175.328 0.121 0.000 1.142 59 H CA -0.353 55.740 56.048 0.075 0.000 1.193 59 H CB -0.293 29.492 29.762 0.038 0.000 1.330 59 H HN -0.157 nan 8.280 nan 0.000 0.585 60 D N 0.136 120.509 120.400 -0.045 0.000 2.579 60 D HA 0.454 5.092 4.640 -0.004 0.000 0.257 60 D C -1.004 175.383 176.300 0.145 0.000 1.176 60 D CA -0.408 53.646 54.000 0.089 0.000 0.914 60 D CB 2.051 42.765 40.800 -0.142 0.000 1.431 60 D HN 0.321 nan 8.370 nan 0.000 0.454 61 S N -0.200 115.607 115.700 0.179 0.000 2.550 61 S HA 0.346 4.814 4.470 -0.004 0.000 0.270 61 S C 0.374 174.953 174.600 -0.035 0.000 1.145 61 S CA -0.716 57.451 58.200 -0.054 0.000 0.852 61 S CB 0.435 63.518 63.200 -0.195 0.000 1.119 61 S HN 0.259 nan 8.310 nan 0.000 0.465 62 F N 0.940 120.838 119.950 -0.087 0.000 2.287 62 F HA -0.000 4.525 4.527 -0.004 0.000 0.301 62 F C 2.484 178.234 175.800 -0.083 0.000 1.069 62 F CA 1.422 59.325 58.000 -0.161 0.000 1.372 62 F CB -0.712 37.980 39.000 -0.513 0.000 1.056 62 F HN 0.743 nan 8.300 nan 0.000 0.523 63 E N 0.047 120.308 120.200 0.102 0.000 2.031 63 E HA -0.201 4.147 4.350 -0.004 0.000 0.193 63 E C 2.110 178.834 176.600 0.207 0.000 0.994 63 E CA 1.596 58.048 56.400 0.087 0.000 0.800 63 E CB -0.661 28.970 29.700 -0.116 0.000 0.752 63 E HN 0.382 nan 8.360 nan 0.000 0.447 64 Y N 0.382 120.800 120.300 0.196 0.000 2.053 64 Y HA -0.251 4.297 4.550 -0.004 0.000 0.277 64 Y C 2.685 178.734 175.900 0.249 0.000 1.159 64 Y CA 1.971 60.184 58.100 0.188 0.000 1.125 64 Y CB -1.389 37.135 38.460 0.108 0.000 0.969 64 Y HN 0.417 nan 8.280 nan 0.000 0.492 65 H N -1.381 117.850 119.070 0.268 0.000 2.422 65 H HA -0.227 4.327 4.556 -0.004 0.000 0.298 65 H C 2.159 177.617 175.328 0.217 0.000 1.098 65 H CA 1.188 57.341 56.048 0.175 0.000 1.315 65 H CB -0.318 29.490 29.762 0.076 0.000 1.382 65 H HN 0.327 nan 8.280 nan 0.000 0.523 66 F N 0.967 120.947 119.950 0.049 0.000 2.113 66 F HA -0.173 4.352 4.527 -0.004 0.000 0.297 66 F C 2.616 178.439 175.800 0.038 0.000 1.103 66 F CA 2.021 60.012 58.000 -0.014 0.000 1.248 66 F CB -0.854 38.156 39.000 0.017 0.000 0.999 66 F HN 0.219 nan 8.300 nan 0.000 0.475 67 H N 0.242 119.321 119.070 0.015 0.000 2.290 67 H HA -0.143 4.411 4.556 -0.004 0.000 0.298 67 H C 1.979 177.214 175.328 -0.155 0.000 1.087 67 H CA 2.420 58.409 56.048 -0.098 0.000 1.291 67 H CB -0.679 29.143 29.762 0.099 0.000 1.369 67 H HN 0.184 nan 8.280 nan 0.000 0.492 68 D N -0.736 119.657 120.400 -0.011 0.000 2.133 68 D HA -0.151 4.486 4.640 -0.004 0.000 0.195 68 D C 2.111 178.314 176.300 -0.163 0.000 0.997 68 D CA 2.013 55.974 54.000 -0.065 0.000 0.840 68 D CB -0.683 40.189 40.800 0.120 0.000 0.947 68 D HN 0.488 nan 8.370 nan 0.000 0.452 69 T N 0.244 114.713 114.554 -0.140 0.000 2.746 69 T HA -0.087 4.261 4.350 -0.004 0.000 0.267 69 T C 2.267 176.747 174.700 -0.366 0.000 1.039 69 T CA 0.939 62.932 62.100 -0.179 0.000 1.142 69 T CB -0.374 68.407 68.868 -0.145 0.000 0.866 69 T HN 0.001 nan 8.240 nan 0.000 0.444 70 V N 1.691 121.252 119.914 -0.587 0.000 2.323 70 V HA -0.074 4.044 4.120 -0.004 0.000 0.244 70 V C 2.946 178.411 176.094 -1.047 0.000 1.041 70 V CA 1.451 63.245 62.300 -0.844 0.000 1.025 70 V CB -1.353 29.839 31.823 -1.052 0.000 0.656 70 V HN 0.522 nan 8.190 nan 0.000 0.451 71 A N 1.026 123.246 122.820 -1.000 0.000 1.849 71 A HA -0.173 4.145 4.320 -0.004 0.000 0.217 71 A C 2.454 179.759 177.584 -0.466 0.000 1.202 71 A CA 2.293 53.825 52.037 -0.841 0.000 0.629 71 A CB -1.547 17.101 19.000 -0.587 0.000 0.834 71 A HN 0.534 nan 8.150 nan 0.000 0.447 72 G N -1.043 107.560 108.800 -0.328 0.000 2.450 72 G HA2 0.017 3.975 3.960 -0.004 0.000 0.220 72 G HA3 0.017 3.975 3.960 -0.004 0.000 0.220 72 G C 1.365 176.142 174.900 -0.205 0.000 1.130 72 G CA 1.264 46.243 45.100 -0.200 0.000 0.760 72 G HN 0.859 nan 8.290 nan 0.000 0.557 73 G N -0.623 108.007 108.800 -0.282 0.000 2.744 73 G HA2 0.169 4.127 3.960 -0.004 0.000 0.211 73 G HA3 0.169 4.127 3.960 -0.004 0.000 0.211 73 G C 0.449 175.206 174.900 -0.240 0.000 1.143 73 G CA 0.680 45.629 45.100 -0.252 0.000 0.788 73 G HN 0.280 nan 8.290 nan 0.000 0.534 74 D N -1.390 118.875 120.400 -0.225 0.000 2.716 74 D HA -0.149 4.488 4.640 -0.004 0.000 0.239 74 D C 0.594 176.985 176.300 0.151 0.000 1.125 74 D CA 0.594 54.597 54.000 0.006 0.000 0.681 74 D CB -1.479 39.321 40.800 0.000 0.000 1.070 74 D HN 0.499 nan 8.370 nan 0.000 0.432 75 W N -1.732 119.503 121.300 -0.108 0.000 4.310 75 W HA -0.322 4.335 4.660 -0.004 0.000 0.320 75 W C 0.949 177.417 176.519 -0.085 0.000 1.168 75 W CA 0.425 57.718 57.345 -0.088 0.000 0.757 75 W CB -1.794 27.630 29.460 -0.059 0.000 2.221 75 W HN 0.361 nan 8.180 nan 0.000 1.517 76 L N -0.093 121.127 121.223 -0.005 0.000 2.685 76 L HA 0.105 4.443 4.340 -0.004 0.000 0.233 76 L C 0.865 177.745 176.870 0.016 0.000 1.173 76 L CA 0.179 54.990 54.840 -0.047 0.000 0.961 76 L CB -0.111 41.883 42.059 -0.109 0.000 1.217 76 L HN -0.116 nan 8.230 nan 0.000 0.478 77 C N 0.659 119.941 119.300 -0.030 0.000 2.307 77 C HA 0.178 4.635 4.460 -0.004 0.000 0.340 77 C C 1.115 176.134 174.990 0.049 0.000 1.275 77 C CA -1.015 57.987 59.018 -0.026 0.000 1.811 77 C CB 0.674 28.314 27.740 -0.167 0.000 2.372 77 C HN 0.258 nan 8.230 nan 0.000 0.531 78 E N 2.517 122.775 120.200 0.097 0.000 2.443 78 E HA -0.052 4.296 4.350 -0.004 0.000 0.310 78 E C 1.344 178.021 176.600 0.128 0.000 1.202 78 E CA 0.334 56.809 56.400 0.125 0.000 1.301 78 E CB -0.126 29.629 29.700 0.091 0.000 1.104 78 E HN 0.723 nan 8.360 nan 0.000 0.487 79 Q N 0.746 120.628 119.800 0.138 0.000 2.293 79 Q HA -0.293 4.045 4.340 -0.004 0.000 0.218 79 Q C 1.580 177.786 176.000 0.342 0.000 1.015 79 Q CA 2.256 58.206 55.803 0.246 0.000 0.941 79 Q CB 0.016 28.918 28.738 0.272 0.000 0.979 79 Q HN 0.541 nan 8.270 nan 0.000 0.416 80 D N -0.425 120.111 120.400 0.228 0.000 2.097 80 D HA -0.143 4.494 4.640 -0.004 0.000 0.195 80 D C 1.826 178.267 176.300 0.236 0.000 0.989 80 D CA 1.540 55.655 54.000 0.191 0.000 0.827 80 D CB -0.679 40.194 40.800 0.122 0.000 0.966 80 D HN 0.207 nan 8.370 nan 0.000 0.456 81 V N 1.129 121.182 119.914 0.231 0.000 2.255 81 V HA -0.256 3.861 4.120 -0.004 0.000 0.247 81 V C 3.033 179.380 176.094 0.421 0.000 1.051 81 V CA 1.681 64.168 62.300 0.312 0.000 1.018 81 V CB -0.635 31.289 31.823 0.169 0.000 0.641 81 V HN 0.119 nan 8.190 nan 0.000 0.445 82 V N 0.648 120.762 119.914 0.334 0.000 2.380 82 V HA -0.339 3.779 4.120 -0.004 0.000 0.251 82 V C 2.298 178.705 176.094 0.521 0.000 1.063 82 V CA 2.469 65.015 62.300 0.410 0.000 1.055 82 V CB -0.826 31.188 31.823 0.318 0.000 0.657 82 V HN 0.698 nan 8.190 nan 0.000 0.455 83 D N -0.895 119.760 120.400 0.424 0.000 2.117 83 D HA -0.259 4.379 4.640 -0.004 0.000 0.197 83 D C 2.027 178.512 176.300 0.308 0.000 0.987 83 D CA 1.389 55.470 54.000 0.134 0.000 0.829 83 D CB -0.235 40.574 40.800 0.015 0.000 0.961 83 D HN 0.523 nan 8.370 nan 0.000 0.460 84 Y N -0.247 120.191 120.300 0.229 0.000 2.293 84 Y HA -0.105 4.443 4.550 -0.004 0.000 0.291 84 Y C 1.715 177.756 175.900 0.234 0.000 1.137 84 Y CA 1.169 59.370 58.100 0.168 0.000 1.202 84 Y CB -0.713 37.751 38.460 0.006 0.000 0.990 84 Y HN 0.089 nan 8.280 nan 0.000 0.537 85 F N 0.574 120.606 119.950 0.136 0.000 2.060 85 F HA -0.159 4.365 4.527 -0.004 0.000 0.295 85 F C 2.509 178.349 175.800 0.066 0.000 1.120 85 F CA 2.409 60.494 58.000 0.143 0.000 1.205 85 F CB -1.154 38.054 39.000 0.347 0.000 0.986 85 F HN -0.082 nan 8.300 nan 0.000 0.470 86 V N -1.444 118.360 119.914 -0.183 0.000 2.720 86 V HA -0.243 3.875 4.120 -0.004 0.000 0.256 86 V C 2.264 178.335 176.094 -0.039 0.000 1.082 86 V CA 2.269 64.397 62.300 -0.288 0.000 1.101 86 V CB -1.207 30.514 31.823 -0.170 0.000 0.693 86 V HN 0.460 nan 8.190 nan 0.000 0.479 87 H N -0.114 119.027 119.070 0.119 0.000 2.512 87 H HA 0.122 4.676 4.556 -0.004 0.000 0.279 87 H C 1.092 176.411 175.328 -0.014 0.000 0.999 87 H CA 1.690 57.822 56.048 0.139 0.000 1.283 87 H CB 0.052 29.778 29.762 -0.059 0.000 1.421 87 H HN 0.639 nan 8.280 nan 0.000 0.554 88 H N -1.583 117.396 119.070 -0.151 0.000 2.486 88 H HA 0.164 4.718 4.556 -0.004 0.000 0.284 88 H C 1.390 176.538 175.328 -0.300 0.000 1.103 88 H CA -0.284 55.608 56.048 -0.258 0.000 1.089 88 H CB 0.207 29.663 29.762 -0.510 0.000 1.603 88 H HN 0.161 nan 8.280 nan 0.000 0.557 89 C N 0.886 120.031 119.300 -0.258 0.000 2.564 89 C HA 0.021 4.479 4.460 -0.004 0.000 0.281 89 C C -0.072 174.672 174.990 -0.409 0.000 1.314 89 C CA 0.414 59.210 59.018 -0.370 0.000 1.706 89 C CB -0.417 27.032 27.740 -0.486 0.000 2.109 89 C HN 0.486 nan 8.230 nan 0.000 0.502 90 P HA -0.105 nan 4.420 nan 0.000 0.220 90 P C 1.121 178.193 177.300 -0.379 0.000 1.144 90 P CA 1.789 64.624 63.100 -0.443 0.000 0.800 90 P CB -0.279 31.257 31.700 -0.273 0.000 0.772 91 T N 0.332 114.721 114.554 -0.274 0.000 2.643 91 T HA -0.070 4.278 4.350 -0.004 0.000 0.256 91 T C 1.703 176.254 174.700 -0.249 0.000 1.061 91 T CA 1.094 63.064 62.100 -0.218 0.000 1.163 91 T CB -0.579 68.181 68.868 -0.181 0.000 0.865 91 T HN 0.092 nan 8.240 nan 0.000 0.407 92 E N 0.912 120.974 120.200 -0.230 0.000 2.187 92 E HA -0.127 4.221 4.350 -0.004 0.000 0.199 92 E C 1.974 178.440 176.600 -0.223 0.000 1.004 92 E CA 1.170 57.445 56.400 -0.208 0.000 0.813 92 E CB -0.364 29.263 29.700 -0.122 0.000 0.736 92 E HN 0.348 nan 8.360 nan 0.000 0.468 93 M N -0.425 118.935 119.600 -0.400 0.000 2.236 93 M HA -0.035 4.443 4.480 -0.004 0.000 0.266 93 M C 2.123 178.262 176.300 -0.268 0.000 1.070 93 M CA 1.265 56.256 55.300 -0.514 0.000 1.137 93 M CB -0.474 31.216 32.600 -1.515 0.000 1.378 93 M HN -0.071 nan 8.290 nan 0.000 0.426 94 T N -0.621 113.747 114.554 -0.310 0.000 2.867 94 T HA -0.157 4.191 4.350 -0.004 0.000 0.268 94 T C 1.710 176.401 174.700 -0.016 0.000 1.057 94 T CA 1.286 63.379 62.100 -0.012 0.000 1.136 94 T CB -0.112 68.738 68.868 -0.030 0.000 0.874 94 T HN 0.302 nan 8.240 nan 0.000 0.466 95 Q N 1.083 120.782 119.800 -0.168 0.000 2.084 95 Q HA 0.041 4.379 4.340 -0.004 0.000 0.202 95 Q C 2.033 177.792 176.000 -0.402 0.000 0.978 95 Q CA 1.464 57.045 55.803 -0.370 0.000 0.844 95 Q CB -0.701 27.701 28.738 -0.560 0.000 0.898 95 Q HN 0.489 nan 8.270 nan 0.000 0.426 96 L N 0.519 121.672 121.223 -0.116 0.000 2.131 96 L HA -0.124 4.214 4.340 -0.004 0.000 0.210 96 L C 2.509 179.530 176.870 0.252 0.000 1.092 96 L CA 1.318 56.234 54.840 0.126 0.000 0.759 96 L CB -0.507 41.752 42.059 0.334 0.000 0.903 96 L HN 0.375 nan 8.230 nan 0.000 0.435 97 E N 0.799 121.237 120.200 0.398 0.000 2.204 97 E HA -0.168 4.179 4.350 -0.004 0.000 0.194 97 E C 2.085 178.809 176.600 0.207 0.000 0.989 97 E CA 1.011 57.645 56.400 0.390 0.000 0.824 97 E CB 0.122 30.121 29.700 0.498 0.000 0.756 97 E HN 0.533 nan 8.360 nan 0.000 0.477 98 L N -1.207 120.101 121.223 0.142 0.000 2.375 98 L HA 0.003 4.341 4.340 -0.004 0.000 0.215 98 L C 1.640 178.685 176.870 0.291 0.000 1.108 98 L CA 0.123 55.049 54.840 0.142 0.000 0.830 98 L CB -0.217 41.880 42.059 0.064 0.000 0.959 98 L HN 0.100 nan 8.230 nan 0.000 0.457 99 W N 0.620 121.972 121.300 0.087 0.000 3.345 99 W HA 0.362 5.020 4.660 -0.004 0.000 0.282 99 W C 1.499 178.033 176.519 0.025 0.000 1.302 99 W CA 0.428 57.809 57.345 0.061 0.000 1.724 99 W CB -0.492 29.014 29.460 0.077 0.000 1.104 99 W HN 0.304 nan 8.180 nan 0.000 0.694 100 G N -0.123 108.802 108.800 0.208 0.000 2.659 100 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.202 100 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.202 100 G C 0.468 175.355 174.900 -0.022 0.000 1.186 100 G CA -0.370 44.781 45.100 0.085 0.000 0.783 100 G HN 0.131 nan 8.290 nan 0.000 0.521 101 C N 5.410 124.666 119.300 -0.073 0.000 1.461 101 C HA 0.326 4.783 4.460 -0.004 0.000 0.458 101 C C -1.091 173.619 174.990 -0.467 0.000 1.473 101 C CA 0.304 59.114 59.018 -0.345 0.000 1.643 101 C CB -0.220 27.199 27.740 -0.536 0.000 3.017 101 C HN 0.453 nan 8.230 nan 0.000 0.581 102 P HA 0.164 nan 4.420 nan 0.000 0.241 102 P C -0.661 176.443 177.300 -0.328 0.000 1.780 102 P CA -0.094 62.794 63.100 -0.354 0.000 1.111 102 P CB -0.274 31.219 31.700 -0.345 0.000 1.852 103 W N 1.469 122.701 121.300 -0.113 0.000 2.158 103 W HA 0.123 4.780 4.660 -0.004 0.000 0.339 103 W C 0.910 177.255 176.519 -0.289 0.000 1.294 103 W CA -0.101 57.142 57.345 -0.170 0.000 1.231 103 W CB 0.118 29.497 29.460 -0.133 0.000 1.143 103 W HN 0.199 nan 8.180 nan 0.000 0.571 104 S N 3.054 118.617 115.700 -0.227 0.000 2.576 104 S HA 0.309 4.777 4.470 -0.004 0.000 0.272 104 S C 0.172 174.589 174.600 -0.304 0.000 1.352 104 S CA -0.581 57.408 58.200 -0.351 0.000 1.021 104 S CB 0.391 63.180 63.200 -0.686 0.000 0.887 104 S HN 0.265 nan 8.310 nan 0.000 0.542 105 R N 0.862 121.248 120.500 -0.190 0.000 2.854 105 R HA 0.473 4.810 4.340 -0.004 0.000 0.271 105 R C -0.175 176.071 176.300 -0.090 0.000 0.994 105 R CA -0.835 55.180 56.100 -0.142 0.000 0.945 105 R CB 0.882 31.129 30.300 -0.088 0.000 1.194 105 R HN 0.591 nan 8.270 nan 0.000 0.476 106 R N 0.966 121.419 120.500 -0.079 0.000 2.637 106 R HA 0.178 4.516 4.340 -0.004 0.000 0.269 106 R C -1.381 174.902 176.300 -0.029 0.000 1.089 106 R CA -1.537 54.540 56.100 -0.038 0.000 1.177 106 R CB 0.064 30.340 30.300 -0.041 0.000 1.091 106 R HN 0.242 nan 8.270 nan 0.000 0.540 107 P HA -0.206 nan 4.420 nan 0.000 0.216 107 P C 0.286 177.578 177.300 -0.014 0.000 1.150 107 P CA 1.429 64.523 63.100 -0.010 0.000 0.843 107 P CB 0.001 31.700 31.700 -0.002 0.000 0.787 108 D N -1.957 118.434 120.400 -0.016 0.000 2.352 108 D HA -0.001 4.637 4.640 -0.004 0.000 0.232 108 D C 1.273 177.560 176.300 -0.021 0.000 1.055 108 D CA 0.877 54.868 54.000 -0.016 0.000 0.891 108 D CB -0.620 40.172 40.800 -0.014 0.000 0.897 108 D HN 0.268 nan 8.370 nan 0.000 0.529 109 G N 0.957 109.739 108.800 -0.029 0.000 2.176 109 G HA2 -0.312 3.645 3.960 -0.004 0.000 0.253 109 G HA3 -0.312 3.645 3.960 -0.004 0.000 0.253 109 G C 0.424 175.296 174.900 -0.046 0.000 0.979 109 G CA 0.376 45.458 45.100 -0.031 0.000 0.641 109 G HN 0.646 nan 8.290 nan 0.000 0.530 110 S N -0.305 115.358 115.700 -0.062 0.000 2.617 110 S HA 0.713 5.180 4.470 -0.004 0.000 0.269 110 S C 0.551 175.055 174.600 -0.161 0.000 1.292 110 S CA -0.338 57.804 58.200 -0.096 0.000 1.010 110 S CB 2.417 65.566 63.200 -0.086 0.000 0.944 110 S HN 1.028 nan 8.310 nan 0.000 0.536 111 V N 2.459 122.210 119.914 -0.272 0.000 2.740 111 V HA 0.182 4.300 4.120 -0.004 0.000 0.303 111 V C 0.709 176.554 176.094 -0.415 0.000 1.054 111 V CA -0.430 61.611 62.300 -0.432 0.000 1.106 111 V CB 0.100 31.397 31.823 -0.875 0.000 0.957 111 V HN 0.914 nan 8.190 nan 0.000 0.486 112 N N 2.063 120.555 118.700 -0.348 0.000 2.477 112 N HA 0.720 5.457 4.740 -0.004 0.000 0.284 112 N C -0.976 174.553 175.510 0.031 0.000 1.182 112 N CA -0.423 52.551 53.050 -0.125 0.000 0.949 112 N CB 1.924 40.421 38.487 0.017 0.000 1.204 112 N HN 0.644 nan 8.380 nan 0.000 0.526 113 V N -0.902 119.144 119.914 0.220 0.000 3.012 113 V HA 0.751 4.869 4.120 -0.004 0.000 0.307 113 V C -0.579 175.572 176.094 0.096 0.000 1.166 113 V CA -1.017 61.422 62.300 0.233 0.000 0.974 113 V CB 1.687 33.511 31.823 0.000 0.000 1.040 113 V HN 0.906 nan 8.190 nan 0.000 0.428 114 R N 2.451 122.891 120.500 -0.101 0.000 2.950 114 R HA 0.725 5.063 4.340 -0.004 0.000 0.253 114 R C -0.662 175.632 176.300 -0.011 0.000 1.168 114 R CA -1.082 54.917 56.100 -0.168 0.000 1.014 114 R CB 2.017 32.036 30.300 -0.468 0.000 1.228 114 R HN 0.848 nan 8.270 nan 0.000 0.487 115 R N 0.707 121.187 120.500 -0.033 0.000 2.368 115 R HA 0.431 4.769 4.340 -0.004 0.000 0.302 115 R C -1.484 174.778 176.300 -0.063 0.000 1.002 115 R CA -0.193 55.899 56.100 -0.012 0.000 0.929 115 R CB 0.727 30.979 30.300 -0.079 0.000 1.073 115 R HN 0.516 nan 8.270 nan 0.000 0.464 116 F N 0.290 120.205 119.950 -0.059 0.000 2.685 116 F HA 0.362 4.887 4.527 -0.003 0.000 0.315 116 F C 0.845 176.624 175.800 -0.034 0.000 1.126 116 F CA -0.032 57.943 58.000 -0.041 0.000 0.950 116 F CB 2.151 41.138 39.000 -0.022 0.000 1.360 116 F HN 0.741 nan 8.300 nan 0.000 0.469 117 G N 0.897 109.792 108.800 0.159 0.000 2.269 117 G HA2 0.060 4.018 3.960 -0.004 0.000 0.277 117 G HA3 0.060 4.018 3.960 -0.004 0.000 0.277 117 G C 1.168 176.072 174.900 0.006 0.000 1.008 117 G CA 1.280 46.422 45.100 0.069 0.000 0.774 117 G HN 2.109 nan 8.290 nan 0.000 0.511 118 G N -1.128 107.655 108.800 -0.030 0.000 2.347 118 G HA2 -0.319 3.639 3.960 -0.004 0.000 0.247 118 G HA3 -0.319 3.639 3.960 -0.004 0.000 0.247 118 G C 0.765 175.649 174.900 -0.027 0.000 1.037 118 G CA 0.794 45.868 45.100 -0.044 0.000 0.622 118 G HN 1.388 nan 8.290 nan 0.000 0.521 119 M N 0.873 120.473 119.600 0.000 0.000 2.186 119 M HA -0.052 4.426 4.480 -0.004 0.000 0.408 119 M C 1.685 177.978 176.300 -0.012 0.000 1.260 119 M CA 1.470 56.776 55.300 0.009 0.000 0.784 119 M CB 0.354 32.964 32.600 0.017 0.000 1.899 119 M HN 0.435 nan 8.290 nan 0.000 0.513 120 K N 3.309 123.701 120.400 -0.014 0.000 2.025 120 K HA -0.016 4.301 4.320 -0.004 0.000 0.207 120 K C 0.292 176.866 176.600 -0.043 0.000 1.049 120 K CA 0.959 57.225 56.287 -0.035 0.000 0.933 120 K CB 0.368 32.835 32.500 -0.055 0.000 0.714 120 K HN 0.524 nan 8.250 nan 0.000 0.438 121 I N 3.885 124.416 120.570 -0.064 0.000 2.304 121 I HA 0.036 4.203 4.170 -0.004 0.000 0.291 121 I C -0.295 175.794 176.117 -0.048 0.000 1.018 121 I CA -0.707 60.553 61.300 -0.067 0.000 1.260 121 I CB 0.971 38.882 38.000 -0.150 0.000 1.390 121 I HN 0.279 nan 8.210 nan 0.000 0.475 122 E N 8.297 128.484 120.200 -0.022 0.000 2.406 122 E HA -0.009 4.339 4.350 -0.004 0.000 0.258 122 E C 0.119 176.710 176.600 -0.014 0.000 1.043 122 E CA -0.185 56.210 56.400 -0.008 0.000 0.929 122 E CB 0.294 29.995 29.700 0.001 0.000 0.969 122 E HN 0.756 nan 8.360 nan 0.000 0.462 123 R N 1.045 121.541 120.500 -0.006 0.000 2.599 123 R HA 0.232 4.570 4.340 -0.004 0.000 0.451 123 R C -0.801 175.559 176.300 0.101 0.000 0.988 123 R CA -0.606 55.500 56.100 0.011 0.000 1.085 123 R CB -0.041 30.196 30.300 -0.105 0.000 1.452 123 R HN 0.222 nan 8.270 nan 0.000 0.596 124 T N 1.198 115.833 114.554 0.136 0.000 2.799 124 T HA 0.277 4.625 4.350 -0.004 0.000 0.286 124 T C -1.050 173.855 174.700 0.341 0.000 0.973 124 T CA -0.154 62.060 62.100 0.189 0.000 1.035 124 T CB 0.692 69.641 68.868 0.135 0.000 0.932 124 T HN 0.173 nan 8.240 nan 0.000 0.469 125 W N 4.677 125.948 121.300 -0.049 0.000 2.351 125 W HA 0.606 5.264 4.660 -0.003 0.000 0.311 125 W C -0.375 176.316 176.519 0.287 0.000 1.168 125 W CA -1.494 55.776 57.345 -0.126 0.000 1.200 125 W CB 0.188 29.135 29.460 -0.854 0.000 1.221 125 W HN 0.614 nan 8.180 nan 0.000 0.519 126 F N 0.565 120.716 119.950 0.335 0.000 2.591 126 F HA 0.821 5.345 4.527 -0.004 0.000 0.309 126 F C -0.403 175.700 175.800 0.506 0.000 1.098 126 F CA -1.852 56.406 58.000 0.430 0.000 0.937 126 F CB 1.441 40.568 39.000 0.212 0.000 1.250 126 F HN 0.333 nan 8.300 nan 0.000 0.447 127 A N 3.452 126.524 122.820 0.421 0.000 2.923 127 A HA 0.789 5.107 4.320 -0.004 0.000 0.343 127 A C 0.603 178.352 177.584 0.275 0.000 1.199 127 A CA -0.070 52.071 52.037 0.174 0.000 0.878 127 A CB -0.651 18.368 19.000 0.032 0.000 1.104 127 A HN 2.437 nan 8.150 nan 0.000 0.483 128 A N 1.668 124.633 122.820 0.242 0.000 6.204 128 A HA -0.157 4.161 4.320 -0.004 0.000 0.272 128 A C 0.426 178.221 177.584 0.351 0.000 2.040 128 A CA 1.009 53.232 52.037 0.311 0.000 0.717 128 A CB -1.072 18.063 19.000 0.225 0.000 1.126 128 A HN 1.542 nan 8.150 nan 0.000 0.378 129 D N -0.561 120.007 120.400 0.281 0.000 3.168 129 D HA 0.408 5.046 4.640 -0.004 0.000 0.255 129 D C 0.302 176.748 176.300 0.243 0.000 1.314 129 D CA 0.266 54.415 54.000 0.249 0.000 0.900 129 D CB 0.310 41.241 40.800 0.219 0.000 1.072 129 D HN 0.599 nan 8.370 nan 0.000 0.487 130 K N -0.853 119.685 120.400 0.229 0.000 2.554 130 K HA 0.080 4.398 4.320 -0.004 0.000 0.211 130 K C 1.184 177.899 176.600 0.192 0.000 1.226 130 K CA -0.075 56.305 56.287 0.155 0.000 1.025 130 K CB 0.751 33.228 32.500 -0.039 0.000 1.021 130 K HN -0.072 nan 8.250 nan 0.000 0.600 131 T N 0.595 115.297 114.554 0.246 0.000 2.668 131 T HA -0.264 4.084 4.350 -0.004 0.000 0.265 131 T C 1.728 176.541 174.700 0.188 0.000 1.041 131 T CA 2.155 64.405 62.100 0.250 0.000 1.160 131 T CB -0.396 68.648 68.868 0.293 0.000 0.857 131 T HN 0.548 nan 8.240 nan 0.000 0.455 132 G N 0.362 109.254 108.800 0.155 0.000 2.433 132 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.216 132 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.216 132 G C 1.308 176.277 174.900 0.115 0.000 1.186 132 G CA 0.863 46.035 45.100 0.121 0.000 0.779 132 G HN 0.507 nan 8.290 nan 0.000 0.543 133 F N 1.456 121.372 119.950 -0.057 0.000 2.043 133 F HA -0.209 4.316 4.527 -0.003 0.000 0.297 133 F C 2.483 178.208 175.800 -0.124 0.000 1.118 133 F CA 2.087 59.985 58.000 -0.171 0.000 1.202 133 F CB -0.432 38.364 39.000 -0.340 0.000 0.965 133 F HN 0.204 nan 8.300 nan 0.000 0.482 134 H N -0.232 118.833 119.070 -0.008 0.000 2.570 134 H HA -0.027 4.527 4.556 -0.004 0.000 0.280 134 H C 1.700 176.917 175.328 -0.185 0.000 1.038 134 H CA 1.293 57.252 56.048 -0.150 0.000 1.186 134 H CB -0.280 29.438 29.762 -0.073 0.000 1.339 134 H HN 0.466 nan 8.280 nan 0.000 0.615 135 M N -1.564 118.039 119.600 0.005 0.000 2.879 135 M HA -0.015 4.463 4.480 -0.004 0.000 0.241 135 M C 1.897 178.252 176.300 0.091 0.000 1.523 135 M CA 0.086 55.412 55.300 0.044 0.000 1.195 135 M CB 0.307 32.969 32.600 0.102 0.000 1.277 135 M HN 0.101 nan 8.290 nan 0.000 0.557 136 L N 0.308 121.579 121.223 0.081 0.000 2.187 136 L HA -0.201 4.137 4.340 -0.004 0.000 0.213 136 L C 1.984 178.930 176.870 0.125 0.000 1.100 136 L CA 2.181 57.088 54.840 0.111 0.000 0.765 136 L CB -0.611 41.511 42.059 0.105 0.000 0.904 136 L HN 0.283 nan 8.230 nan 0.000 0.437 137 H N -1.655 117.319 119.070 -0.159 0.000 2.384 137 H HA 0.034 4.588 4.556 -0.003 0.000 0.300 137 H C 2.124 177.454 175.328 0.003 0.000 1.057 137 H CA 1.605 57.563 56.048 -0.149 0.000 1.370 137 H CB -0.341 29.113 29.762 -0.513 0.000 1.417 137 H HN 0.263 nan 8.280 nan 0.000 0.527 138 T N 1.112 115.728 114.554 0.105 0.000 2.652 138 T HA -0.132 4.216 4.350 -0.004 0.000 0.267 138 T C 2.220 177.000 174.700 0.133 0.000 1.039 138 T CA 1.354 63.521 62.100 0.112 0.000 1.153 138 T CB -0.458 68.488 68.868 0.131 0.000 0.863 138 T HN 0.120 nan 8.240 nan 0.000 0.428 139 L N 0.063 121.400 121.223 0.190 0.000 1.944 139 L HA -0.124 4.213 4.340 -0.004 0.000 0.218 139 L C 2.295 179.222 176.870 0.096 0.000 1.075 139 L CA 1.921 56.878 54.840 0.195 0.000 0.767 139 L CB -0.808 41.393 42.059 0.236 0.000 0.890 139 L HN 0.199 nan 8.230 nan 0.000 0.434 140 F N 0.659 120.597 119.950 -0.020 0.000 2.085 140 F HA -0.357 4.168 4.527 -0.004 0.000 0.299 140 F C 2.605 178.356 175.800 -0.081 0.000 1.096 140 F CA 2.149 60.114 58.000 -0.057 0.000 1.227 140 F CB -0.391 38.542 39.000 -0.112 0.000 0.983 140 F HN 0.102 nan 8.300 nan 0.000 0.482 141 Q N -0.777 118.886 119.800 -0.228 0.000 2.046 141 Q HA -0.148 4.190 4.340 -0.004 0.000 0.200 141 Q C 2.206 178.014 176.000 -0.320 0.000 0.975 141 Q CA 2.117 57.712 55.803 -0.347 0.000 0.836 141 Q CB -0.488 28.183 28.738 -0.111 0.000 0.896 141 Q HN 0.361 nan 8.270 nan 0.000 0.428 142 T N 0.126 114.530 114.554 -0.250 0.000 2.881 142 T HA -0.144 4.204 4.350 -0.004 0.000 0.270 142 T C 1.740 176.252 174.700 -0.314 0.000 1.068 142 T CA 1.356 63.228 62.100 -0.381 0.000 1.131 142 T CB -0.240 68.248 68.868 -0.634 0.000 0.871 142 T HN 0.334 nan 8.240 nan 0.000 0.479 143 S N 0.442 116.001 115.700 -0.237 0.000 2.603 143 S HA 0.131 4.598 4.470 -0.004 0.000 0.229 143 S C 1.737 176.266 174.600 -0.117 0.000 0.972 143 S CA 0.207 58.365 58.200 -0.071 0.000 0.935 143 S CB -0.505 62.632 63.200 -0.105 0.000 0.769 143 S HN 0.500 nan 8.310 nan 0.000 0.536 144 L N 1.018 122.062 121.223 -0.297 0.000 2.375 144 L HA 0.081 4.419 4.340 -0.004 0.000 0.215 144 L C 2.617 179.326 176.870 -0.268 0.000 1.108 144 L CA 0.719 55.379 54.840 -0.299 0.000 0.830 144 L CB -0.330 41.511 42.059 -0.363 0.000 0.959 144 L HN 0.572 nan 8.230 nan 0.000 0.457 145 Q N -0.234 119.317 119.800 -0.416 0.000 2.444 145 Q HA -0.012 4.326 4.340 -0.004 0.000 0.206 145 Q C -0.284 175.299 176.000 -0.696 0.000 0.948 145 Q CA 0.260 55.729 55.803 -0.557 0.000 0.946 145 Q CB -0.043 28.277 28.738 -0.698 0.000 1.027 145 Q HN 0.298 nan 8.270 nan 0.000 0.513 146 F N 1.554 121.425 119.950 -0.132 0.000 2.325 146 F HA 0.370 4.894 4.527 -0.004 0.000 0.369 146 F C -1.826 173.936 175.800 -0.063 0.000 1.095 146 F CA -2.769 55.177 58.000 -0.090 0.000 1.082 146 F CB 1.702 40.646 39.000 -0.093 0.000 1.289 146 F HN -0.078 nan 8.300 nan 0.000 0.462 147 P HA -0.173 nan 4.420 nan 0.000 0.220 147 P C 1.104 178.448 177.300 0.074 0.000 1.148 147 P CA 1.235 64.360 63.100 0.042 0.000 0.803 147 P CB 0.205 31.916 31.700 0.018 0.000 0.782 148 Q N -0.507 119.357 119.800 0.105 0.000 2.170 148 Q HA -0.045 4.293 4.340 -0.004 0.000 0.203 148 Q C 0.789 176.839 176.000 0.084 0.000 0.976 148 Q CA 0.755 56.611 55.803 0.088 0.000 0.858 148 Q CB -0.733 28.055 28.738 0.083 0.000 0.907 148 Q HN 0.320 nan 8.270 nan 0.000 0.433 149 I N 2.006 122.635 120.570 0.097 0.000 2.347 149 I HA 0.048 4.215 4.170 -0.004 0.000 0.294 149 I C -0.013 176.161 176.117 0.095 0.000 1.090 149 I CA -0.522 60.829 61.300 0.086 0.000 1.314 149 I CB 0.282 38.330 38.000 0.079 0.000 1.423 149 I HN 0.050 nan 8.210 nan 0.000 0.503 150 Q N 8.241 128.119 119.800 0.129 0.000 2.466 150 Q HA 0.295 4.633 4.340 -0.004 0.000 0.242 150 Q C -0.612 175.525 176.000 0.229 0.000 1.046 150 Q CA -0.420 55.468 55.803 0.142 0.000 0.841 150 Q CB 0.580 29.426 28.738 0.181 0.000 1.193 150 Q HN 0.459 nan 8.270 nan 0.000 0.508 151 R N 2.690 123.278 120.500 0.146 0.000 2.594 151 R HA 0.243 4.580 4.340 -0.004 0.000 0.272 151 R C -0.516 175.875 176.300 0.151 0.000 1.074 151 R CA -0.027 56.195 56.100 0.204 0.000 1.105 151 R CB 0.527 30.918 30.300 0.151 0.000 1.008 151 R HN 0.520 nan 8.270 nan 0.000 0.472 152 F N 1.415 121.386 119.950 0.035 0.000 2.597 152 F HA 0.160 4.685 4.527 -0.005 0.000 0.336 152 F C -0.213 175.609 175.800 0.036 0.000 1.432 152 F CA -1.016 57.061 58.000 0.129 0.000 1.120 152 F CB 0.267 39.391 39.000 0.208 0.000 1.253 152 F HN 0.326 nan 8.300 nan 0.000 0.546 153 D N 1.709 122.103 120.400 -0.011 0.000 2.548 153 D HA -0.086 4.552 4.640 -0.004 0.000 0.231 153 D C 0.559 176.639 176.300 -0.367 0.000 1.142 153 D CA 0.800 54.651 54.000 -0.248 0.000 0.866 153 D CB 0.494 41.014 40.800 -0.466 0.000 1.190 153 D HN 0.483 nan 8.370 nan 0.000 0.469 154 E N 0.766 120.765 120.200 -0.336 0.000 2.240 154 E HA -0.267 4.080 4.350 -0.004 0.000 0.194 154 E C -0.687 175.804 176.600 -0.182 0.000 1.385 154 E CA 0.657 56.929 56.400 -0.215 0.000 0.686 154 E CB -1.499 28.092 29.700 -0.182 0.000 1.125 154 E HN 0.535 nan 8.360 nan 0.000 0.359 155 H N 0.182 119.244 119.070 -0.013 0.000 2.906 155 H HA 0.238 4.792 4.556 -0.003 0.000 0.324 155 H C -0.798 174.558 175.328 0.047 0.000 0.973 155 H CA -0.912 55.160 56.048 0.040 0.000 1.321 155 H CB 0.735 30.544 29.762 0.078 0.000 1.535 155 H HN 0.159 nan 8.280 nan 0.000 0.518 156 F N 5.789 125.776 119.950 0.062 0.000 2.566 156 F HA 0.143 4.667 4.527 -0.004 0.000 0.349 156 F C -0.200 175.584 175.800 -0.027 0.000 1.245 156 F CA -0.651 57.337 58.000 -0.019 0.000 1.169 156 F CB -0.390 38.561 39.000 -0.081 0.000 1.470 156 F HN 0.253 nan 8.300 nan 0.000 0.634 157 V N 7.903 127.967 119.914 0.249 0.000 2.583 157 V HA -0.199 3.918 4.120 -0.004 0.000 0.302 157 V C 1.468 177.738 176.094 0.293 0.000 1.033 157 V CA 0.818 63.224 62.300 0.176 0.000 1.194 157 V CB 0.208 32.075 31.823 0.074 0.000 0.879 157 V HN 0.786 nan 8.190 nan 0.000 0.482 158 L N 2.554 123.872 121.223 0.158 0.000 2.354 158 L HA 0.320 4.657 4.340 -0.004 0.000 0.212 158 L C 0.614 177.568 176.870 0.140 0.000 1.091 158 L CA 0.708 55.614 54.840 0.110 0.000 0.828 158 L CB 0.355 42.417 42.059 0.006 0.000 0.973 158 L HN 0.839 nan 8.230 nan 0.000 0.461 159 D N -1.494 118.980 120.400 0.124 0.000 2.926 159 D HA 0.224 4.862 4.640 -0.004 0.000 0.272 159 D C -1.203 175.172 176.300 0.124 0.000 1.172 159 D CA -0.542 53.548 54.000 0.150 0.000 0.731 159 D CB 0.967 41.856 40.800 0.148 0.000 1.282 159 D HN 0.011 nan 8.370 nan 0.000 0.430 160 I N -1.539 119.127 120.570 0.159 0.000 2.924 160 I HA 0.676 4.844 4.170 -0.004 0.000 0.316 160 I C -0.531 175.557 176.117 -0.048 0.000 1.014 160 I CA -1.015 60.308 61.300 0.038 0.000 1.106 160 I CB 1.334 39.334 38.000 0.000 0.000 1.311 160 I HN 0.239 nan 8.210 nan 0.000 0.502 161 L N 3.897 125.063 121.223 -0.095 0.000 2.316 161 L HA 0.660 4.997 4.340 -0.004 0.000 0.280 161 L C -0.745 176.038 176.870 -0.144 0.000 1.006 161 L CA -0.625 54.151 54.840 -0.107 0.000 0.836 161 L CB 1.531 43.569 42.059 -0.035 0.000 1.221 161 L HN 0.393 nan 8.230 nan 0.000 0.418 162 V N 1.653 121.434 119.914 -0.222 0.000 2.876 162 V HA 0.625 4.743 4.120 -0.004 0.000 0.312 162 V C -0.963 175.091 176.094 -0.067 0.000 1.085 162 V CA -0.560 61.653 62.300 -0.146 0.000 0.945 162 V CB 2.550 34.238 31.823 -0.225 0.000 1.017 162 V HN 0.807 nan 8.190 nan 0.000 0.428 163 D N 2.607 123.000 120.400 -0.011 0.000 2.871 163 D HA 0.143 4.781 4.640 -0.004 0.000 0.209 163 D C -0.916 175.400 176.300 0.027 0.000 1.292 163 D CA -0.221 53.783 54.000 0.007 0.000 0.869 163 D CB 2.066 42.868 40.800 0.003 0.000 1.663 163 D HN 0.703 nan 8.370 nan 0.000 0.557 164 D N 2.844 123.258 120.400 0.024 0.000 2.812 164 D HA -0.141 4.497 4.640 -0.004 0.000 0.237 164 D C 0.883 177.215 176.300 0.053 0.000 1.162 164 D CA 1.648 55.666 54.000 0.030 0.000 0.740 164 D CB -1.146 39.667 40.800 0.021 0.000 1.000 164 D HN 0.984 nan 8.370 nan 0.000 0.416 165 G N 1.122 109.948 108.800 0.043 0.000 2.321 165 G HA2 -0.314 3.644 3.960 -0.004 0.000 0.287 165 G HA3 -0.314 3.644 3.960 -0.004 0.000 0.287 165 G C 0.028 174.975 174.900 0.078 0.000 1.018 165 G CA 1.069 46.194 45.100 0.042 0.000 0.855 165 G HN 0.815 nan 8.290 nan 0.000 0.507 166 H N -1.748 117.308 119.070 -0.024 0.000 3.086 166 H HA 0.438 4.993 4.556 -0.002 0.000 0.353 166 H C -0.698 174.609 175.328 -0.035 0.000 1.134 166 H CA -0.131 55.906 56.048 -0.019 0.000 1.248 166 H CB 2.077 31.835 29.762 -0.008 0.000 1.878 166 H HN 0.296 nan 8.280 nan 0.000 0.527 167 V N 5.357 125.296 119.914 0.042 0.000 2.649 167 V HA 0.392 4.510 4.120 -0.004 0.000 0.292 167 V C -0.114 176.081 176.094 0.168 0.000 1.055 167 V CA -0.153 62.175 62.300 0.046 0.000 1.023 167 V CB 0.602 32.411 31.823 -0.025 0.000 0.992 167 V HN 0.707 nan 8.190 nan 0.000 0.480 168 R N 5.561 126.102 120.500 0.068 0.000 2.629 168 R HA 0.534 4.871 4.340 -0.004 0.000 0.277 168 R C 0.311 176.621 176.300 0.016 0.000 1.637 168 R CA 0.155 56.288 56.100 0.055 0.000 1.663 168 R CB 0.913 31.229 30.300 0.028 0.000 1.228 168 R HN 1.210 nan 8.270 nan 0.000 0.632 169 G N 1.279 110.086 108.800 0.011 0.000 2.545 169 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.216 169 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.216 169 G C -0.869 174.014 174.900 -0.028 0.000 1.314 169 G CA -0.231 44.861 45.100 -0.015 0.000 0.906 169 G HN 0.483 nan 8.290 nan 0.000 0.563 170 L N -4.568 116.631 121.223 -0.040 0.000 2.892 170 L HA 0.897 5.235 4.340 -0.004 0.000 0.269 170 L C -0.644 176.202 176.870 -0.040 0.000 1.058 170 L CA -1.280 53.538 54.840 -0.036 0.000 0.923 170 L CB 1.554 43.582 42.059 -0.051 0.000 1.518 170 L HN 1.145 nan 8.230 nan 0.000 0.402 171 V N 0.989 120.891 119.914 -0.019 0.000 2.409 171 V HA 0.917 5.035 4.120 -0.004 0.000 0.290 171 V C 0.246 176.329 176.094 -0.019 0.000 1.017 171 V CA 0.315 62.603 62.300 -0.020 0.000 0.841 171 V CB 0.876 32.703 31.823 0.007 0.000 1.003 171 V HN 1.177 nan 8.190 nan 0.000 0.426 172 A N 5.374 128.157 122.820 -0.061 0.000 2.312 172 A HA 1.003 5.321 4.320 -0.004 0.000 0.310 172 A C -0.580 177.001 177.584 -0.004 0.000 1.139 172 A CA -0.796 51.221 52.037 -0.033 0.000 0.886 172 A CB 1.879 20.795 19.000 -0.141 0.000 1.350 172 A HN 0.803 nan 8.150 nan 0.000 0.479 173 M N 1.099 120.748 119.600 0.083 0.000 2.197 173 M HA 0.329 4.807 4.480 -0.004 0.000 0.301 173 M C -0.995 175.478 176.300 0.288 0.000 0.987 173 M CA -0.439 54.921 55.300 0.100 0.000 0.921 173 M CB 1.195 33.791 32.600 -0.006 0.000 1.569 173 M HN 0.807 nan 8.290 nan 0.000 0.431 174 N N 4.470 123.362 118.700 0.319 0.000 2.416 174 N HA 0.088 4.825 4.740 -0.004 0.000 0.271 174 N C 0.927 176.501 175.510 0.106 0.000 1.245 174 N CA 0.215 53.467 53.050 0.337 0.000 0.940 174 N CB 0.550 39.208 38.487 0.285 0.000 1.175 174 N HN 0.759 nan 8.380 nan 0.000 0.483 175 M N 2.174 121.793 119.600 0.031 0.000 2.106 175 M HA -0.248 4.230 4.480 -0.004 0.000 0.259 175 M C 1.811 178.145 176.300 0.057 0.000 1.068 175 M CA 1.665 56.934 55.300 -0.051 0.000 1.100 175 M CB -0.236 32.290 32.600 -0.124 0.000 1.351 175 M HN 0.645 nan 8.290 nan 0.000 0.404 176 M N 0.438 120.135 119.600 0.162 0.000 2.081 176 M HA -0.103 4.375 4.480 -0.004 0.000 0.261 176 M C 2.011 178.381 176.300 0.117 0.000 1.075 176 M CA 1.755 57.188 55.300 0.221 0.000 1.133 176 M CB -0.250 32.431 32.600 0.134 0.000 1.330 176 M HN 0.024 nan 8.290 nan 0.000 0.414 177 E N -0.323 119.924 120.200 0.078 0.000 2.072 177 E HA 0.006 4.354 4.350 -0.004 0.000 0.191 177 E C 1.337 177.967 176.600 0.050 0.000 0.985 177 E CA 1.274 57.713 56.400 0.065 0.000 0.801 177 E CB -0.508 29.237 29.700 0.075 0.000 0.750 177 E HN 0.694 nan 8.360 nan 0.000 0.452 178 G N 1.826 110.652 108.800 0.044 0.000 2.130 178 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.216 178 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.216 178 G C 0.314 175.224 174.900 0.018 0.000 0.999 178 G CA 0.574 45.680 45.100 0.010 0.000 0.686 178 G HN 0.389 nan 8.290 nan 0.000 0.515 179 T N -0.747 113.839 114.554 0.054 0.000 2.797 179 T HA 0.740 5.087 4.350 -0.004 0.000 0.279 179 T C 0.593 175.332 174.700 0.066 0.000 0.991 179 T CA -0.951 61.185 62.100 0.059 0.000 0.979 179 T CB 2.023 70.941 68.868 0.083 0.000 0.943 179 T HN 0.544 nan 8.240 nan 0.000 0.444 180 L N 2.680 123.925 121.223 0.037 0.000 2.464 180 L HA 0.677 5.015 4.340 -0.004 0.000 0.264 180 L C -0.027 176.870 176.870 0.044 0.000 1.199 180 L CA -0.784 54.071 54.840 0.025 0.000 0.818 180 L CB 0.495 42.557 42.059 0.006 0.000 1.102 180 L HN 0.501 nan 8.230 nan 0.000 0.473 181 V N 0.372 120.297 119.914 0.019 0.000 3.206 181 V HA 0.378 4.496 4.120 -0.004 0.000 0.305 181 V C -0.911 175.193 176.094 0.015 0.000 1.257 181 V CA -0.744 61.580 62.300 0.041 0.000 1.057 181 V CB 2.043 33.859 31.823 -0.012 0.000 1.075 181 V HN 0.817 nan 8.190 nan 0.000 0.443 182 Q N 1.312 121.150 119.800 0.064 0.000 2.786 182 Q HA 0.533 4.871 4.340 -0.004 0.000 0.240 182 Q C -1.904 174.131 176.000 0.059 0.000 0.928 182 Q CA -0.484 55.342 55.803 0.038 0.000 0.721 182 Q CB 1.267 30.032 28.738 0.046 0.000 1.318 182 Q HN 0.651 nan 8.270 nan 0.000 0.474 183 I N 2.890 123.438 120.570 -0.037 0.000 2.474 183 I HA 0.304 4.472 4.170 -0.004 0.000 0.287 183 I C 0.039 176.147 176.117 -0.014 0.000 1.048 183 I CA -0.115 61.159 61.300 -0.043 0.000 1.383 183 I CB 0.788 38.638 38.000 -0.250 0.000 1.412 183 I HN 0.395 nan 8.210 nan 0.000 0.531 184 R N 4.923 125.438 120.500 0.025 0.000 2.393 184 R HA 0.910 5.248 4.340 -0.004 0.000 0.310 184 R C -0.935 175.370 176.300 0.009 0.000 0.968 184 R CA -0.914 55.195 56.100 0.016 0.000 0.867 184 R CB 1.480 31.795 30.300 0.025 0.000 1.124 184 R HN 0.755 nan 8.270 nan 0.000 0.450 185 A N 2.246 125.071 122.820 0.007 0.000 2.599 185 A HA 0.347 4.665 4.320 -0.004 0.000 0.294 185 A C -0.772 176.838 177.584 0.043 0.000 1.055 185 A CA -0.812 51.233 52.037 0.013 0.000 0.683 185 A CB 1.226 20.221 19.000 -0.009 0.000 1.278 185 A HN 0.663 nan 8.150 nan 0.000 0.412 186 N N 0.594 119.334 118.700 0.066 0.000 2.321 186 N HA 0.434 5.171 4.740 -0.004 0.000 0.242 186 N C -0.243 175.388 175.510 0.201 0.000 1.141 186 N CA 0.883 54.034 53.050 0.169 0.000 0.864 186 N CB 1.271 39.831 38.487 0.121 0.000 1.100 186 N HN 1.115 nan 8.380 nan 0.000 0.510 187 A N 0.209 123.079 122.820 0.083 0.000 2.579 187 A HA 0.405 4.723 4.320 -0.004 0.000 0.288 187 A C -1.011 176.552 177.584 -0.035 0.000 1.079 187 A CA -0.464 51.585 52.037 0.020 0.000 0.889 187 A CB 0.563 19.512 19.000 -0.084 0.000 1.439 187 A HN -0.053 nan 8.150 nan 0.000 0.399 188 V N 2.433 122.356 119.914 0.014 0.000 2.398 188 V HA 0.535 4.653 4.120 -0.004 0.000 0.286 188 V C -0.210 175.899 176.094 0.026 0.000 1.026 188 V CA -0.555 61.743 62.300 -0.003 0.000 0.868 188 V CB 1.719 33.550 31.823 0.012 0.000 0.982 188 V HN 0.628 nan 8.190 nan 0.000 0.443 189 V N 5.901 125.802 119.914 -0.022 0.000 2.350 189 V HA 0.410 4.528 4.120 -0.004 0.000 0.285 189 V C 0.116 176.231 176.094 0.035 0.000 1.014 189 V CA -0.530 61.779 62.300 0.015 0.000 0.831 189 V CB 1.545 33.324 31.823 -0.074 0.000 1.000 189 V HN 0.740 nan 8.190 nan 0.000 0.433 190 M N 4.104 123.744 119.600 0.066 0.000 2.162 190 M HA 0.506 4.984 4.480 -0.004 0.000 0.356 190 M C 0.311 176.639 176.300 0.045 0.000 1.303 190 M CA 0.073 55.399 55.300 0.044 0.000 1.116 190 M CB 1.154 33.777 32.600 0.039 0.000 1.632 190 M HN 0.720 nan 8.290 nan 0.000 0.469 191 A N 2.360 125.199 122.820 0.031 0.000 3.292 191 A HA 0.321 4.639 4.320 -0.004 0.000 0.231 191 A C 0.698 178.293 177.584 0.018 0.000 0.952 191 A CA -0.493 51.566 52.037 0.036 0.000 1.044 191 A CB -0.372 18.658 19.000 0.050 0.000 1.236 191 A HN 0.805 nan 8.150 nan 0.000 0.525 192 T N -2.400 112.155 114.554 0.002 0.000 3.188 192 T HA 0.470 4.818 4.350 -0.004 0.000 0.250 192 T C 1.189 175.871 174.700 -0.030 0.000 1.077 192 T CA 0.795 62.884 62.100 -0.019 0.000 0.967 192 T CB -0.308 68.544 68.868 -0.027 0.000 1.006 192 T HN 2.088 nan 8.240 nan 0.000 0.552 193 G N 0.531 109.318 108.800 -0.021 0.000 2.752 193 G HA2 0.126 4.083 3.960 -0.004 0.000 0.234 193 G HA3 0.126 4.083 3.960 -0.004 0.000 0.234 193 G C 0.325 175.165 174.900 -0.101 0.000 1.367 193 G CA -0.561 44.511 45.100 -0.047 0.000 0.879 193 G HN 0.882 nan 8.290 nan 0.000 0.563 194 G N -1.670 107.029 108.800 -0.168 0.000 2.486 194 G HA2 0.626 4.583 3.960 -0.004 0.000 0.272 194 G HA3 0.626 4.583 3.960 -0.004 0.000 0.272 194 G C 0.863 175.666 174.900 -0.162 0.000 1.426 194 G CA 1.079 46.048 45.100 -0.217 0.000 1.058 194 G HN 2.165 nan 8.290 nan 0.000 0.531 195 A N -1.357 121.371 122.820 -0.154 0.000 2.568 195 A HA 0.549 4.867 4.320 -0.004 0.000 0.287 195 A C 1.797 179.337 177.584 -0.073 0.000 0.967 195 A CA 0.944 52.920 52.037 -0.102 0.000 1.004 195 A CB 0.058 19.012 19.000 -0.076 0.000 1.233 195 A HN 1.175 nan 8.150 nan 0.000 0.513 196 G N 0.721 109.454 108.800 -0.111 0.000 2.507 196 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.221 196 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.221 196 G C 1.349 176.251 174.900 0.003 0.000 1.119 196 G CA 0.689 45.755 45.100 -0.057 0.000 0.751 196 G HN 0.466 nan 8.290 nan 0.000 0.574 197 R N 0.528 120.992 120.500 -0.059 0.000 2.369 197 R HA -0.013 4.325 4.340 -0.004 0.000 0.200 197 R C 2.376 178.645 176.300 -0.052 0.000 1.046 197 R CA 0.906 56.974 56.100 -0.053 0.000 1.057 197 R CB -0.379 29.876 30.300 -0.075 0.000 0.888 197 R HN 0.552 nan 8.270 nan 0.000 0.474 198 V N -3.283 116.602 119.914 -0.048 0.000 2.951 198 V HA 0.011 4.129 4.120 -0.004 0.000 0.255 198 V C 0.725 176.678 176.094 -0.236 0.000 1.088 198 V CA 0.450 62.658 62.300 -0.153 0.000 1.109 198 V CB -0.677 31.016 31.823 -0.217 0.000 0.724 198 V HN -0.060 nan 8.190 nan 0.000 0.471 199 Y N 0.606 120.839 120.300 -0.112 0.000 2.299 199 Y HA 0.471 5.018 4.550 -0.004 0.000 0.326 199 Y C 1.807 177.609 175.900 -0.163 0.000 1.164 199 Y CA -0.371 57.659 58.100 -0.116 0.000 1.234 199 Y CB 1.008 39.403 38.460 -0.109 0.000 1.219 199 Y HN -0.111 nan 8.280 nan 0.000 0.497 200 R N 1.653 122.090 120.500 -0.105 0.000 2.120 200 R HA -0.098 4.240 4.340 -0.004 0.000 0.234 200 R C -0.759 175.299 176.300 -0.403 0.000 1.123 200 R CA 1.335 57.220 56.100 -0.358 0.000 0.975 200 R CB 0.003 29.935 30.300 -0.613 0.000 0.866 200 R HN 0.722 nan 8.270 nan 0.000 0.446 201 Y N 0.743 121.059 120.300 0.026 0.000 2.338 201 Y HA 0.249 4.796 4.550 -0.004 0.000 0.328 201 Y C -0.505 175.347 175.900 -0.080 0.000 0.965 201 Y CA -1.219 56.864 58.100 -0.029 0.000 1.208 201 Y CB 1.340 39.784 38.460 -0.027 0.000 1.132 201 Y HN 0.235 nan 8.280 nan 0.000 0.469 202 N N -1.609 117.134 118.700 0.072 0.000 2.853 202 N HA 0.333 5.071 4.740 -0.004 0.000 0.258 202 N C -0.288 175.208 175.510 -0.023 0.000 1.444 202 N CA -0.860 52.169 53.050 -0.033 0.000 0.837 202 N CB 1.398 39.852 38.487 -0.054 0.000 1.489 202 N HN 0.231 nan 8.380 nan 0.000 0.529 203 T N -3.407 111.142 114.554 -0.008 0.000 3.186 203 T HA 0.340 4.688 4.350 -0.004 0.000 0.257 203 T C -0.472 174.278 174.700 0.084 0.000 1.029 203 T CA -0.399 61.727 62.100 0.044 0.000 0.916 203 T CB -1.366 67.590 68.868 0.146 0.000 1.041 203 T HN 0.535 nan 8.240 nan 0.000 0.562 204 N N 0.162 118.835 118.700 -0.044 0.000 2.459 204 N HA 0.582 5.320 4.740 -0.004 0.000 0.288 204 N C 0.061 175.522 175.510 -0.083 0.000 1.186 204 N CA -1.287 51.615 53.050 -0.246 0.000 0.917 204 N CB 1.174 39.405 38.487 -0.427 0.000 1.219 204 N HN 0.300 nan 8.380 nan 0.000 0.525 205 G N -0.965 107.804 108.800 -0.052 0.000 2.467 205 G HA2 0.244 4.202 3.960 -0.004 0.000 0.257 205 G HA3 0.244 4.202 3.960 -0.004 0.000 0.257 205 G C 1.043 175.931 174.900 -0.020 0.000 1.227 205 G CA -0.602 44.554 45.100 0.092 0.000 0.835 205 G HN 0.642 nan 8.290 nan 0.000 0.556 206 G N 0.877 109.672 108.800 -0.009 0.000 2.537 206 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.220 206 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.220 206 G C 1.434 176.304 174.900 -0.050 0.000 1.111 206 G CA 1.206 46.280 45.100 -0.044 0.000 0.748 206 G HN 0.885 nan 8.290 nan 0.000 0.564 207 I N -2.281 118.271 120.570 -0.031 0.000 3.603 207 I HA 0.244 4.412 4.170 -0.004 0.000 0.297 207 I C 0.448 176.518 176.117 -0.079 0.000 1.269 207 I CA -0.094 61.179 61.300 -0.046 0.000 1.361 207 I CB 0.315 38.301 38.000 -0.024 0.000 1.063 207 I HN -0.179 nan 8.210 nan 0.000 0.448 208 V N 3.075 122.928 119.914 -0.101 0.000 2.055 208 V HA 0.068 4.185 4.120 -0.004 0.000 0.248 208 V C 0.855 176.884 176.094 -0.107 0.000 1.476 208 V CA 0.641 62.862 62.300 -0.132 0.000 1.417 208 V CB -0.754 30.928 31.823 -0.234 0.000 1.465 208 V HN 0.432 nan 8.190 nan 0.000 0.502 209 T N 0.925 115.432 114.554 -0.079 0.000 3.105 209 T HA 0.244 4.591 4.350 -0.004 0.000 0.253 209 T C 1.498 176.180 174.700 -0.030 0.000 1.047 209 T CA 0.400 62.469 62.100 -0.050 0.000 0.944 209 T CB 0.362 69.216 68.868 -0.024 0.000 1.016 209 T HN 0.872 nan 8.240 nan 0.000 0.544 210 G N 2.670 111.444 108.800 -0.043 0.000 2.295 210 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.287 210 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.287 210 G C 0.519 175.456 174.900 0.061 0.000 1.055 210 G CA 0.296 45.383 45.100 -0.021 0.000 0.922 210 G HN 0.438 nan 8.290 nan 0.000 0.503 211 D N 0.051 120.496 120.400 0.074 0.000 2.144 211 D HA -0.077 4.561 4.640 -0.004 0.000 0.200 211 D C 2.472 178.943 176.300 0.286 0.000 0.978 211 D CA 1.486 55.641 54.000 0.258 0.000 0.833 211 D CB -0.508 40.288 40.800 -0.007 0.000 0.961 211 D HN 0.549 nan 8.370 nan 0.000 0.470 212 G N 1.076 109.934 108.800 0.096 0.000 2.421 212 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.216 212 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.216 212 G C 1.714 176.631 174.900 0.027 0.000 1.171 212 G CA 0.552 45.688 45.100 0.059 0.000 0.775 212 G HN 0.180 nan 8.290 nan 0.000 0.543 213 M N 0.731 120.329 119.600 -0.002 0.000 2.086 213 M HA -0.006 4.472 4.480 -0.004 0.000 0.261 213 M C 2.889 179.134 176.300 -0.092 0.000 1.067 213 M CA 1.468 56.737 55.300 -0.051 0.000 1.116 213 M CB -0.638 31.924 32.600 -0.063 0.000 1.348 213 M HN 0.286 nan 8.290 nan 0.000 0.407 214 G N 0.167 108.902 108.800 -0.109 0.000 2.450 214 G HA2 -0.205 3.752 3.960 -0.004 0.000 0.220 214 G HA3 -0.205 3.752 3.960 -0.004 0.000 0.220 214 G C 1.514 176.166 174.900 -0.413 0.000 1.130 214 G CA 0.773 45.671 45.100 -0.338 0.000 0.760 214 G HN 0.376 nan 8.290 nan 0.000 0.557 215 M N 0.494 119.956 119.600 -0.231 0.000 2.193 215 M HA 0.135 4.612 4.480 -0.004 0.000 0.265 215 M C 2.993 179.265 176.300 -0.047 0.000 1.071 215 M CA 1.145 56.380 55.300 -0.109 0.000 1.140 215 M CB -0.068 32.575 32.600 0.071 0.000 1.369 215 M HN 0.265 nan 8.290 nan 0.000 0.423 216 A N 0.071 122.874 122.820 -0.028 0.000 2.121 216 A HA -0.089 4.229 4.320 -0.004 0.000 0.218 216 A C 2.021 179.572 177.584 -0.055 0.000 1.154 216 A CA 1.063 53.096 52.037 -0.007 0.000 0.679 216 A CB -0.549 18.433 19.000 -0.031 0.000 0.795 216 A HN 0.383 nan 8.150 nan 0.000 0.458 217 L N -0.732 120.422 121.223 -0.116 0.000 2.179 217 L HA 0.021 4.359 4.340 -0.004 0.000 0.208 217 L C 2.433 179.223 176.870 -0.133 0.000 1.096 217 L CA 1.890 56.648 54.840 -0.137 0.000 0.779 217 L CB -0.259 41.701 42.059 -0.165 0.000 0.922 217 L HN 0.261 nan 8.230 nan 0.000 0.443 218 S N -1.628 113.951 115.700 -0.201 0.000 2.461 218 S HA -0.012 4.455 4.470 -0.004 0.000 0.228 218 S C 0.860 175.253 174.600 -0.345 0.000 1.005 218 S CA 0.445 58.470 58.200 -0.292 0.000 0.942 218 S CB -0.304 62.648 63.200 -0.413 0.000 0.776 218 S HN 0.444 nan 8.310 nan 0.000 0.514 219 H N 0.175 119.227 119.070 -0.031 0.000 2.507 219 H HA 0.340 4.894 4.556 -0.003 0.000 0.281 219 H C 1.498 176.826 175.328 -0.001 0.000 1.160 219 H CA 0.206 56.246 56.048 -0.013 0.000 0.981 219 H CB -0.181 29.573 29.762 -0.014 0.000 1.665 219 H HN 0.432 nan 8.280 nan 0.000 0.554 220 G N 0.710 109.563 108.800 0.088 0.000 2.196 220 G HA2 -0.327 3.631 3.960 -0.004 0.000 0.268 220 G HA3 -0.327 3.631 3.960 -0.004 0.000 0.268 220 G C 0.515 175.477 174.900 0.105 0.000 0.975 220 G CA 0.629 45.802 45.100 0.122 0.000 0.648 220 G HN 0.310 nan 8.290 nan 0.000 0.538 221 V N 3.105 123.025 119.914 0.010 0.000 2.649 221 V HA 0.480 4.598 4.120 -0.004 0.000 0.292 221 V C -1.151 174.780 176.094 -0.272 0.000 1.055 221 V CA -0.934 61.314 62.300 -0.086 0.000 1.023 221 V CB 1.501 33.283 31.823 -0.069 0.000 0.992 221 V HN 0.276 nan 8.190 nan 0.000 0.480 222 P HA 0.402 nan 4.420 nan 0.000 0.292 222 P C -1.134 175.907 177.300 -0.431 0.000 1.283 222 P CA -0.599 62.032 63.100 -0.782 0.000 0.835 222 P CB 1.398 32.301 31.700 -1.327 0.000 1.017 223 L N 3.204 124.204 121.223 -0.372 0.000 2.260 223 L HA 0.426 4.763 4.340 -0.004 0.000 0.289 223 L C 1.200 177.948 176.870 -0.202 0.000 1.057 223 L CA -0.510 54.192 54.840 -0.230 0.000 0.811 223 L CB 0.646 42.595 42.059 -0.183 0.000 1.184 223 L HN 0.364 nan 8.230 nan 0.000 0.429 224 R N 3.602 124.012 120.500 -0.149 0.000 2.368 224 R HA 0.188 4.526 4.340 -0.004 0.000 0.302 224 R C -0.493 175.808 176.300 0.001 0.000 1.002 224 R CA -0.378 55.669 56.100 -0.088 0.000 0.929 224 R CB 0.758 30.987 30.300 -0.118 0.000 1.073 224 R HN 0.636 nan 8.270 nan 0.000 0.464 225 D N 3.964 124.405 120.400 0.068 0.000 2.772 225 D HA -0.173 4.464 4.640 -0.004 0.000 0.233 225 D C 0.516 176.822 176.300 0.010 0.000 1.143 225 D CA 0.746 54.843 54.000 0.160 0.000 0.700 225 D CB -0.432 40.655 40.800 0.479 0.000 1.076 225 D HN 0.596 nan 8.370 nan 0.000 0.430 226 M N -0.238 119.306 119.600 -0.093 0.000 2.700 226 M HA -0.100 4.377 4.480 -0.004 0.000 0.249 226 M C 1.986 178.186 176.300 -0.167 0.000 1.082 226 M CA 1.030 56.271 55.300 -0.100 0.000 1.077 226 M CB -0.509 32.031 32.600 -0.099 0.000 1.477 226 M HN 0.325 nan 8.290 nan 0.000 0.529 227 E N -0.308 119.650 120.200 -0.403 0.000 2.478 227 E HA -0.068 4.280 4.350 -0.004 0.000 0.194 227 E C -0.154 176.186 176.600 -0.433 0.000 1.045 227 E CA 0.173 56.271 56.400 -0.502 0.000 0.868 227 E CB -0.313 28.901 29.700 -0.810 0.000 0.885 227 E HN 0.407 nan 8.360 nan 0.000 0.505 228 F N 2.098 122.072 119.950 0.040 0.000 2.541 228 F HA 0.244 4.768 4.527 -0.004 0.000 0.351 228 F C -0.143 175.713 175.800 0.094 0.000 1.209 228 F CA -0.868 57.182 58.000 0.084 0.000 1.277 228 F CB 0.878 39.928 39.000 0.084 0.000 1.632 228 F HN -0.274 nan 8.300 nan 0.000 0.619 229 V N 2.636 122.689 119.914 0.231 0.000 2.339 229 V HA 0.073 4.191 4.120 -0.004 0.000 0.261 229 V C 0.343 176.530 176.094 0.156 0.000 1.058 229 V CA -0.623 61.767 62.300 0.149 0.000 0.897 229 V CB 0.774 32.669 31.823 0.120 0.000 1.052 229 V HN 0.608 nan 8.190 nan 0.000 0.480 230 Q N 3.546 123.441 119.800 0.159 0.000 2.337 230 Q HA 0.174 4.512 4.340 -0.004 0.000 0.270 230 Q C -1.383 174.704 176.000 0.144 0.000 1.002 230 Q CA 0.036 55.949 55.803 0.184 0.000 0.888 230 Q CB 0.526 29.387 28.738 0.206 0.000 1.222 230 Q HN 0.664 nan 8.270 nan 0.000 0.400 231 Y N 1.765 122.064 120.300 -0.001 0.000 2.457 231 Y HA 0.272 4.820 4.550 -0.004 0.000 0.333 231 Y C 0.007 175.905 175.900 -0.003 0.000 1.119 231 Y CA -0.676 57.407 58.100 -0.028 0.000 1.143 231 Y CB 1.404 39.799 38.460 -0.109 0.000 1.230 231 Y HN 0.604 nan 8.280 nan 0.000 0.469 232 H N 4.823 123.889 119.070 -0.006 0.000 2.457 232 H HA 0.231 4.785 4.556 -0.004 0.000 0.335 232 H C -1.955 173.331 175.328 -0.070 0.000 1.115 232 H CA -2.458 53.512 56.048 -0.129 0.000 1.219 232 H CB 2.466 31.985 29.762 -0.403 0.000 1.471 232 H HN 0.379 nan 8.280 nan 0.000 0.491 233 P HA -0.109 nan 4.420 nan 0.000 0.215 233 P C 0.374 177.653 177.300 -0.035 0.000 1.157 233 P CA 1.172 64.196 63.100 -0.127 0.000 0.868 233 P CB 0.052 31.657 31.700 -0.158 0.000 0.788 234 T N -1.919 112.693 114.554 0.098 0.000 2.801 234 T HA 0.695 5.043 4.350 -0.004 0.000 0.306 234 T C 0.164 174.911 174.700 0.077 0.000 1.020 234 T CA -0.742 61.414 62.100 0.093 0.000 0.948 234 T CB 1.205 70.128 68.868 0.093 0.000 0.962 234 T HN 0.119 nan 8.240 nan 0.000 0.465 235 G N 2.625 111.403 108.800 -0.037 0.000 2.642 235 G HA2 0.632 4.590 3.960 -0.004 0.000 0.293 235 G HA3 0.632 4.590 3.960 -0.004 0.000 0.293 235 G C -1.005 173.831 174.900 -0.106 0.000 1.341 235 G CA -1.198 43.846 45.100 -0.092 0.000 0.916 235 G HN 0.803 nan 8.290 nan 0.000 0.474 236 L N 2.125 123.288 121.223 -0.101 0.000 2.371 236 L HA 0.339 4.676 4.340 -0.004 0.000 0.272 236 L C -1.601 175.184 176.870 -0.142 0.000 1.124 236 L CA -1.646 53.142 54.840 -0.088 0.000 0.816 236 L CB 1.625 43.659 42.059 -0.043 0.000 1.129 236 L HN 0.306 nan 8.230 nan 0.000 0.448 237 P HA 0.041 nan 4.420 nan 0.000 0.269 237 P C 0.637 177.811 177.300 -0.211 0.000 1.215 237 P CA 0.663 63.626 63.100 -0.229 0.000 0.780 237 P CB 1.108 32.706 31.700 -0.169 0.000 0.898 238 G N 2.139 110.739 108.800 -0.332 0.000 5.431 238 G HA2 -0.405 3.553 3.960 -0.004 0.000 0.322 238 G HA3 -0.405 3.553 3.960 -0.004 0.000 0.322 238 G C 1.496 176.363 174.900 -0.055 0.000 1.370 238 G CA 1.158 46.167 45.100 -0.151 0.000 0.963 238 G HN 0.702 nan 8.290 nan 0.000 0.797 239 S N 1.347 117.003 115.700 -0.074 0.000 2.399 239 S HA 0.257 4.725 4.470 -0.004 0.000 0.231 239 S C 2.805 177.358 174.600 -0.077 0.000 1.022 239 S CA 2.102 60.249 58.200 -0.089 0.000 0.983 239 S CB -0.654 62.440 63.200 -0.177 0.000 0.803 239 S HN 2.749 nan 8.310 nan 0.000 0.480 240 G N 1.131 109.868 108.800 -0.105 0.000 2.196 240 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.268 240 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.268 240 G C 0.157 174.996 174.900 -0.102 0.000 0.975 240 G CA 0.391 45.437 45.100 -0.090 0.000 0.648 240 G HN 0.679 nan 8.290 nan 0.000 0.538 241 I N 0.921 121.414 120.570 -0.129 0.000 2.752 241 I HA 0.092 4.260 4.170 -0.004 0.000 0.289 241 I C 1.099 177.126 176.117 -0.150 0.000 1.197 241 I CA -0.513 60.700 61.300 -0.145 0.000 1.432 241 I CB 0.458 38.345 38.000 -0.189 0.000 1.359 241 I HN 0.214 nan 8.210 nan 0.000 0.571 242 L N 8.372 129.484 121.223 -0.187 0.000 2.410 242 L HA 0.215 4.552 4.340 -0.004 0.000 0.273 242 L C -0.216 176.501 176.870 -0.254 0.000 1.144 242 L CA 0.274 54.939 54.840 -0.291 0.000 0.863 242 L CB 0.681 42.502 42.059 -0.397 0.000 1.140 242 L HN 0.556 nan 8.230 nan 0.000 0.463 243 M N 5.236 124.714 119.600 -0.204 0.000 2.495 243 M HA 0.241 4.719 4.480 -0.004 0.000 0.346 243 M C 0.305 176.563 176.300 -0.070 0.000 1.251 243 M CA 0.075 55.312 55.300 -0.105 0.000 1.249 243 M CB 0.408 32.990 32.600 -0.029 0.000 1.229 243 M HN 0.896 nan 8.290 nan 0.000 0.450 244 T N 1.035 115.533 114.554 -0.093 0.000 2.770 244 T HA -0.188 4.160 4.350 -0.004 0.000 0.287 244 T C 1.262 176.046 174.700 0.139 0.000 1.025 244 T CA 1.246 63.361 62.100 0.025 0.000 1.143 244 T CB 0.356 69.266 68.868 0.069 0.000 1.077 244 T HN 0.869 nan 8.240 nan 0.000 0.476 245 E N 2.457 122.811 120.200 0.256 0.000 2.267 245 E HA -0.109 4.239 4.350 -0.004 0.000 0.197 245 E C 2.130 178.714 176.600 -0.027 0.000 0.998 245 E CA 1.329 57.796 56.400 0.111 0.000 0.830 245 E CB -0.862 28.867 29.700 0.049 0.000 0.751 245 E HN 0.912 nan 8.360 nan 0.000 0.491 246 G N 0.697 109.532 108.800 0.059 0.000 2.469 246 G HA2 -0.353 3.605 3.960 -0.004 0.000 0.220 246 G HA3 -0.353 3.605 3.960 -0.004 0.000 0.220 246 G C 1.651 176.543 174.900 -0.014 0.000 1.136 246 G CA 1.030 46.137 45.100 0.012 0.000 0.759 246 G HN 0.462 nan 8.290 nan 0.000 0.562 247 C N 0.080 119.387 119.300 0.012 0.000 2.398 247 C HA -0.064 4.394 4.460 -0.004 0.000 0.279 247 C C 2.907 177.887 174.990 -0.017 0.000 1.250 247 C CA 1.049 60.067 59.018 0.000 0.000 1.786 247 C CB -0.933 26.816 27.740 0.014 0.000 2.018 247 C HN 0.493 nan 8.230 nan 0.000 0.494 248 R N 0.249 120.729 120.500 -0.032 0.000 2.128 248 R HA 0.073 4.410 4.340 -0.004 0.000 0.211 248 R C 2.552 178.813 176.300 -0.064 0.000 1.067 248 R CA 1.037 57.113 56.100 -0.040 0.000 1.010 248 R CB -0.644 29.625 30.300 -0.051 0.000 0.922 248 R HN 0.538 nan 8.270 nan 0.000 0.457 249 G N 1.379 110.111 108.800 -0.112 0.000 2.501 249 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.220 249 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.220 249 G C 0.982 175.835 174.900 -0.077 0.000 1.114 249 G CA 0.553 45.571 45.100 -0.136 0.000 0.757 249 G HN 0.193 nan 8.290 nan 0.000 0.559 250 E N -0.034 120.136 120.200 -0.051 0.000 2.451 250 E HA 0.235 4.583 4.350 -0.004 0.000 0.194 250 E C 1.531 178.124 176.600 -0.012 0.000 1.027 250 E CA 0.369 56.752 56.400 -0.030 0.000 0.914 250 E CB 0.181 29.864 29.700 -0.029 0.000 1.054 250 E HN 0.391 nan 8.360 nan 0.000 0.461 251 G N 0.978 109.781 108.800 0.004 0.000 2.157 251 G HA2 -0.228 3.730 3.960 -0.004 0.000 0.239 251 G HA3 -0.228 3.730 3.960 -0.004 0.000 0.239 251 G C 0.667 175.645 174.900 0.130 0.000 0.982 251 G CA -0.172 44.964 45.100 0.060 0.000 0.650 251 G HN 0.480 nan 8.290 nan 0.000 0.527 252 G N 0.044 108.877 108.800 0.055 0.000 2.544 252 G HA2 0.632 4.590 3.960 -0.004 0.000 0.242 252 G HA3 0.632 4.590 3.960 -0.004 0.000 0.242 252 G C 0.259 175.207 174.900 0.081 0.000 1.247 252 G CA 0.257 45.398 45.100 0.069 0.000 0.840 252 G HN 1.581 nan 8.290 nan 0.000 0.578 253 I N -1.447 119.188 120.570 0.110 0.000 2.730 253 I HA 0.661 4.829 4.170 -0.004 0.000 0.298 253 I C -0.925 175.201 176.117 0.015 0.000 1.089 253 I CA -1.338 59.982 61.300 0.033 0.000 1.041 253 I CB 2.336 40.341 38.000 0.008 0.000 1.235 253 I HN 0.233 nan 8.210 nan 0.000 0.423 254 L N 5.959 127.130 121.223 -0.087 0.000 2.296 254 L HA 0.751 5.089 4.340 -0.004 0.000 0.286 254 L C -0.337 176.417 176.870 -0.193 0.000 1.023 254 L CA -0.892 53.888 54.840 -0.099 0.000 0.812 254 L CB 1.739 43.682 42.059 -0.193 0.000 1.223 254 L HN 0.633 nan 8.230 nan 0.000 0.421 255 V N -0.175 119.781 119.914 0.069 0.000 2.962 255 V HA 0.682 4.799 4.120 -0.004 0.000 0.313 255 V C -0.692 175.627 176.094 0.374 0.000 1.099 255 V CA -0.875 61.513 62.300 0.146 0.000 0.971 255 V CB 1.890 33.795 31.823 0.136 0.000 1.028 255 V HN 0.796 nan 8.190 nan 0.000 0.430 256 N N 1.716 120.656 118.700 0.401 0.000 2.566 256 N HA 0.306 5.043 4.740 -0.004 0.000 0.299 256 N C 0.695 176.387 175.510 0.303 0.000 1.277 256 N CA -0.472 52.796 53.050 0.363 0.000 0.965 256 N CB 0.261 38.942 38.487 0.325 0.000 1.142 256 N HN 0.895 nan 8.380 nan 0.000 0.596 257 K N -1.450 119.090 120.400 0.233 0.000 2.589 257 K HA -0.028 4.290 4.320 -0.004 0.000 0.195 257 K C -0.212 176.482 176.600 0.155 0.000 1.040 257 K CA 1.085 57.491 56.287 0.199 0.000 0.950 257 K CB -0.378 32.203 32.500 0.134 0.000 0.781 257 K HN 0.349 nan 8.250 nan 0.000 0.486 258 N N 0.129 118.935 118.700 0.177 0.000 2.171 258 N HA 0.069 4.806 4.740 -0.004 0.000 0.212 258 N C 0.425 176.030 175.510 0.158 0.000 1.184 258 N CA 0.695 53.830 53.050 0.141 0.000 0.888 258 N CB 1.383 39.946 38.487 0.127 0.000 1.038 258 N HN 0.473 nan 8.380 nan 0.000 0.517 259 G N 1.193 110.100 108.800 0.178 0.000 2.153 259 G HA2 -0.320 3.637 3.960 -0.004 0.000 0.252 259 G HA3 -0.320 3.637 3.960 -0.004 0.000 0.252 259 G C -0.276 174.740 174.900 0.193 0.000 0.994 259 G CA 0.241 45.428 45.100 0.145 0.000 0.698 259 G HN 0.442 nan 8.290 nan 0.000 0.521 260 Y N 1.355 121.710 120.300 0.091 0.000 2.313 260 Y HA 0.586 5.133 4.550 -0.004 0.000 0.332 260 Y C 1.072 177.026 175.900 0.090 0.000 1.071 260 Y CA -1.684 56.465 58.100 0.082 0.000 1.169 260 Y CB 0.612 39.130 38.460 0.097 0.000 1.192 260 Y HN 0.142 nan 8.280 nan 0.000 0.487 261 R N 7.034 127.257 120.500 -0.462 0.000 4.154 261 R HA -0.019 4.319 4.340 -0.004 0.000 0.186 261 R C 0.535 176.374 176.300 -0.770 0.000 1.750 261 R CA -0.003 55.784 56.100 -0.520 0.000 1.431 261 R CB -0.662 29.443 30.300 -0.325 0.000 1.383 261 R HN 0.874 nan 8.270 nan 0.000 0.788 262 Y N -0.698 119.288 120.300 -0.524 0.000 2.264 262 Y HA -0.305 4.242 4.550 -0.004 0.000 0.282 262 Y C 1.244 177.147 175.900 0.006 0.000 1.204 262 Y CA 1.107 59.046 58.100 -0.268 0.000 1.228 262 Y CB -0.636 37.892 38.460 0.113 0.000 0.971 262 Y HN 0.296 nan 8.280 nan 0.000 0.538 263 L N 1.188 122.353 121.223 -0.097 0.000 2.447 263 L HA -0.240 4.097 4.340 -0.004 0.000 0.225 263 L C 2.723 179.683 176.870 0.150 0.000 1.148 263 L CA 1.795 56.742 54.840 0.179 0.000 0.808 263 L CB -0.724 41.313 42.059 -0.035 0.000 0.928 263 L HN 0.560 nan 8.230 nan 0.000 0.448 264 Q N -1.281 118.519 119.800 0.000 0.000 2.311 264 Q HA -0.147 4.191 4.340 -0.004 0.000 0.203 264 Q C 0.973 176.977 176.000 0.006 0.000 0.954 264 Q CA 1.086 56.898 55.803 0.015 0.000 0.885 264 Q CB -0.144 28.583 28.738 -0.018 0.000 0.963 264 Q HN 0.326 nan 8.270 nan 0.000 0.471 265 D N 0.374 120.724 120.400 -0.084 0.000 2.312 265 D HA -0.069 4.569 4.640 -0.004 0.000 0.211 265 D C -0.067 175.951 176.300 -0.471 0.000 0.964 265 D CA 0.825 54.639 54.000 -0.309 0.000 0.877 265 D CB 0.100 40.567 40.800 -0.556 0.000 0.924 265 D HN 0.440 nan 8.370 nan 0.000 0.515 266 Y N -0.950 119.434 120.300 0.141 0.000 2.774 266 Y HA 0.416 4.964 4.550 -0.004 0.000 0.305 266 Y C 1.621 177.585 175.900 0.105 0.000 1.067 266 Y CA -0.344 57.837 58.100 0.135 0.000 1.304 266 Y CB 0.681 39.268 38.460 0.212 0.000 1.209 266 Y HN -0.048 nan 8.280 nan 0.000 0.543 267 G N 0.261 109.150 108.800 0.148 0.000 2.179 267 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.260 267 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.260 267 G C 0.654 175.628 174.900 0.123 0.000 0.977 267 G CA 0.424 45.597 45.100 0.122 0.000 0.641 267 G HN 0.451 nan 8.290 nan 0.000 0.533 268 M N 1.358 121.045 119.600 0.146 0.000 2.551 268 M HA 0.371 4.849 4.480 -0.004 0.000 0.252 268 M C 1.430 177.858 176.300 0.213 0.000 1.219 268 M CA 0.606 55.987 55.300 0.137 0.000 0.978 268 M CB 0.593 33.263 32.600 0.117 0.000 1.533 268 M HN 0.319 nan 8.290 nan 0.000 0.474 269 G N 0.866 109.778 108.800 0.186 0.000 2.642 269 G HA2 0.623 4.581 3.960 -0.004 0.000 0.291 269 G HA3 0.623 4.581 3.960 -0.004 0.000 0.291 269 G C -2.629 172.381 174.900 0.184 0.000 1.345 269 G CA -0.993 44.197 45.100 0.152 0.000 1.043 269 G HN 0.071 nan 8.290 nan 0.000 0.528 270 P HA 0.185 nan 4.420 nan 0.000 0.274 270 P C -0.284 176.981 177.300 -0.059 0.000 1.246 270 P CA -0.444 62.643 63.100 -0.022 0.000 0.795 270 P CB 0.973 32.642 31.700 -0.051 0.000 1.006 271 E N 0.748 120.925 120.200 -0.039 0.000 2.558 271 E HA 0.030 4.377 4.350 -0.004 0.000 0.255 271 E C -0.082 176.468 176.600 -0.083 0.000 0.968 271 E CA -0.090 56.279 56.400 -0.052 0.000 0.939 271 E CB 0.194 29.871 29.700 -0.038 0.000 0.921 271 E HN 0.448 nan 8.360 nan 0.000 0.477 272 T N 2.789 117.293 114.554 -0.082 0.000 2.904 272 T HA 0.372 4.720 4.350 -0.004 0.000 0.290 272 T C -2.334 172.322 174.700 -0.072 0.000 1.018 272 T CA -1.769 60.276 62.100 -0.091 0.000 1.075 272 T CB 1.141 69.972 68.868 -0.060 0.000 0.986 272 T HN 0.284 nan 8.240 nan 0.000 0.523 273 P HA 0.202 nan 4.420 nan 0.000 0.271 273 P C 1.140 178.404 177.300 -0.060 0.000 1.216 273 P CA -0.519 62.545 63.100 -0.060 0.000 0.771 273 P CB 0.441 32.110 31.700 -0.051 0.000 0.864 274 L N 1.738 122.913 121.223 -0.080 0.000 2.211 274 L HA -0.251 4.087 4.340 -0.004 0.000 0.216 274 L C 2.113 178.959 176.870 -0.039 0.000 1.092 274 L CA 1.970 56.745 54.840 -0.109 0.000 0.767 274 L CB -0.744 41.208 42.059 -0.178 0.000 0.894 274 L HN 0.619 nan 8.230 nan 0.000 0.437 275 G N -0.383 108.401 108.800 -0.027 0.000 2.616 275 G HA2 -0.155 3.803 3.960 -0.004 0.000 0.215 275 G HA3 -0.155 3.803 3.960 -0.004 0.000 0.215 275 G C 0.075 174.974 174.900 -0.002 0.000 1.284 275 G CA 0.003 45.100 45.100 -0.004 0.000 0.823 275 G HN 0.346 nan 8.290 nan 0.000 0.569 276 E N 1.855 122.046 120.200 -0.015 0.000 2.014 276 E HA 0.421 4.769 4.350 -0.004 0.000 0.275 276 E C -2.404 174.185 176.600 -0.019 0.000 0.997 276 E CA -1.709 54.682 56.400 -0.015 0.000 0.804 276 E CB 1.631 31.320 29.700 -0.019 0.000 1.090 276 E HN 0.199 nan 8.360 nan 0.000 0.401 277 P HA 0.158 nan 4.420 nan 0.000 0.274 277 P C -0.731 176.571 177.300 0.003 0.000 1.237 277 P CA -0.581 62.515 63.100 -0.007 0.000 0.793 277 P CB 0.719 32.413 31.700 -0.010 0.000 0.977 278 K N 1.553 121.976 120.400 0.038 0.000 2.422 278 K HA 0.236 4.554 4.320 -0.004 0.000 0.251 278 K C -0.390 176.276 176.600 0.110 0.000 0.933 278 K CA -0.775 55.559 56.287 0.079 0.000 0.798 278 K CB 1.407 33.972 32.500 0.109 0.000 1.238 278 K HN 0.463 nan 8.250 nan 0.000 0.428 279 N N 3.052 121.787 118.700 0.059 0.000 2.458 279 N HA -0.057 4.680 4.740 -0.004 0.000 0.258 279 N C -0.689 174.815 175.510 -0.010 0.000 1.219 279 N CA 0.739 53.790 53.050 0.003 0.000 0.902 279 N CB 0.385 38.858 38.487 -0.023 0.000 1.076 279 N HN 0.669 nan 8.380 nan 0.000 0.455 280 K N 0.763 121.094 120.400 -0.115 0.000 3.470 280 K HA -0.205 4.113 4.320 -0.004 0.000 0.305 280 K C -1.378 174.892 176.600 -0.550 0.000 1.363 280 K CA 1.014 57.118 56.287 -0.305 0.000 0.927 280 K CB -2.193 30.079 32.500 -0.381 0.000 1.355 280 K HN 0.630 nan 8.250 nan 0.000 0.466 281 Y N -0.477 119.808 120.300 -0.025 0.000 2.581 281 Y HA 0.445 4.993 4.550 -0.004 0.000 0.345 281 Y C 1.537 177.417 175.900 -0.033 0.000 1.036 281 Y CA -1.270 56.818 58.100 -0.021 0.000 1.042 281 Y CB 0.938 39.384 38.460 -0.023 0.000 1.289 281 Y HN -0.202 nan 8.280 nan 0.000 0.471 282 M N -0.439 119.259 119.600 0.163 0.000 7.319 282 M HA -0.413 4.064 4.480 -0.004 0.000 0.298 282 M C 1.462 177.760 176.300 -0.003 0.000 0.480 282 M CA 1.732 57.060 55.300 0.047 0.000 1.311 282 M CB -1.460 31.145 32.600 0.009 0.000 0.421 282 M HN 0.906 nan 8.290 nan 0.000 0.915 283 E N 0.432 120.608 120.200 -0.041 0.000 2.273 283 E HA -0.077 4.270 4.350 -0.004 0.000 0.198 283 E C 1.258 177.830 176.600 -0.048 0.000 1.002 283 E CA 1.137 57.505 56.400 -0.054 0.000 0.828 283 E CB -0.266 29.401 29.700 -0.056 0.000 0.747 283 E HN 0.478 nan 8.360 nan 0.000 0.491 284 L N -0.083 121.119 121.223 -0.036 0.000 3.034 284 L HA 0.340 4.678 4.340 -0.004 0.000 0.245 284 L C 0.847 177.678 176.870 -0.065 0.000 1.295 284 L CA -0.733 54.070 54.840 -0.061 0.000 1.068 284 L CB 0.300 42.322 42.059 -0.061 0.000 1.426 284 L HN 0.024 nan 8.230 nan 0.000 0.531 285 G N -0.068 108.698 108.800 -0.055 0.000 2.532 285 G HA2 0.444 4.401 3.960 -0.004 0.000 0.291 285 G HA3 0.444 4.401 3.960 -0.004 0.000 0.291 285 G C -2.570 172.286 174.900 -0.073 0.000 1.349 285 G CA -1.293 43.763 45.100 -0.074 0.000 1.038 285 G HN -0.003 nan 8.290 nan 0.000 0.518 286 P HA 0.021 nan 4.420 nan 0.000 0.261 286 P C 1.004 178.268 177.300 -0.061 0.000 1.183 286 P CA -0.100 62.964 63.100 -0.061 0.000 0.761 286 P CB 0.777 32.449 31.700 -0.045 0.000 0.785 287 R N 4.474 124.928 120.500 -0.077 0.000 2.143 287 R HA -0.274 4.064 4.340 -0.004 0.000 0.239 287 R C 1.005 177.251 176.300 -0.091 0.000 1.126 287 R CA 2.425 58.467 56.100 -0.097 0.000 0.927 287 R CB -0.731 29.510 30.300 -0.097 0.000 0.860 287 R HN 0.465 nan 8.270 nan 0.000 0.433 288 D N 0.381 120.731 120.400 -0.084 0.000 2.116 288 D HA -0.195 4.443 4.640 -0.004 0.000 0.193 288 D C 1.932 178.164 176.300 -0.112 0.000 0.998 288 D CA 1.638 55.572 54.000 -0.110 0.000 0.836 288 D CB -0.186 40.558 40.800 -0.093 0.000 0.951 288 D HN 0.437 nan 8.370 nan 0.000 0.449 289 K N 0.543 120.911 120.400 -0.053 0.000 2.057 289 K HA -0.088 4.230 4.320 -0.004 0.000 0.207 289 K C 2.335 178.930 176.600 -0.009 0.000 1.049 289 K CA 0.653 56.935 56.287 -0.007 0.000 0.931 289 K CB -0.073 32.453 32.500 0.043 0.000 0.714 289 K HN 0.021 nan 8.250 nan 0.000 0.440 290 V N 0.995 120.904 119.914 -0.008 0.000 2.407 290 V HA -0.219 3.899 4.120 -0.004 0.000 0.248 290 V C 2.106 178.212 176.094 0.019 0.000 1.055 290 V CA 1.842 64.161 62.300 0.032 0.000 1.049 290 V CB -0.349 31.473 31.823 -0.002 0.000 0.662 290 V HN 0.233 nan 8.190 nan 0.000 0.455 291 S N -0.711 114.951 115.700 -0.063 0.000 2.387 291 S HA -0.198 4.270 4.470 -0.004 0.000 0.226 291 S C 2.012 176.539 174.600 -0.121 0.000 1.026 291 S CA 1.213 59.361 58.200 -0.088 0.000 0.972 291 S CB -0.246 62.860 63.200 -0.156 0.000 0.814 291 S HN 0.646 nan 8.310 nan 0.000 0.477 292 Q N 0.944 120.601 119.800 -0.238 0.000 2.084 292 Q HA -0.031 4.307 4.340 -0.004 0.000 0.202 292 Q C 2.515 178.187 176.000 -0.547 0.000 0.978 292 Q CA 1.291 56.850 55.803 -0.406 0.000 0.844 292 Q CB -0.399 28.155 28.738 -0.306 0.000 0.898 292 Q HN 0.590 nan 8.270 nan 0.000 0.426 293 A N 0.699 123.309 122.820 -0.350 0.000 1.948 293 A HA -0.239 4.079 4.320 -0.004 0.000 0.220 293 A C 1.854 179.161 177.584 -0.462 0.000 1.177 293 A CA 1.396 53.121 52.037 -0.520 0.000 0.636 293 A CB -0.888 18.056 19.000 -0.092 0.000 0.815 293 A HN 0.496 nan 8.150 nan 0.000 0.449 294 F N -0.716 119.050 119.950 -0.306 0.000 2.095 294 F HA -0.220 4.305 4.527 -0.004 0.000 0.298 294 F C 2.199 177.953 175.800 -0.076 0.000 1.104 294 F CA 2.086 59.950 58.000 -0.226 0.000 1.232 294 F CB -0.311 38.633 39.000 -0.093 0.000 0.987 294 F HN 0.533 nan 8.300 nan 0.000 0.475 295 W N 1.021 122.225 121.300 -0.161 0.000 2.363 295 W HA -0.206 4.452 4.660 -0.004 0.000 0.296 295 W C 2.401 178.898 176.519 -0.037 0.000 1.212 295 W CA 2.118 59.436 57.345 -0.045 0.000 1.260 295 W CB -0.783 28.693 29.460 0.027 0.000 1.131 295 W HN 0.215 nan 8.180 nan 0.000 0.530 296 H N 0.306 119.492 119.070 0.194 0.000 2.357 296 H HA -0.098 4.456 4.556 -0.004 0.000 0.301 296 H C 2.061 177.387 175.328 -0.003 0.000 1.082 296 H CA 1.553 57.660 56.048 0.099 0.000 1.342 296 H CB -0.662 29.061 29.762 -0.065 0.000 1.389 296 H HN 0.157 nan 8.280 nan 0.000 0.511 297 E N 0.113 120.263 120.200 -0.084 0.000 2.072 297 E HA -0.165 4.182 4.350 -0.004 0.000 0.191 297 E C 2.183 178.643 176.600 -0.233 0.000 0.985 297 E CA 0.438 56.727 56.400 -0.184 0.000 0.801 297 E CB -0.497 28.914 29.700 -0.482 0.000 0.750 297 E HN 0.509 nan 8.360 nan 0.000 0.452 298 W N 2.179 123.170 121.300 -0.515 0.000 2.338 298 W HA -0.163 4.495 4.660 -0.003 0.000 0.304 298 W C 2.162 178.503 176.519 -0.295 0.000 1.212 298 W CA 1.685 58.731 57.345 -0.498 0.000 1.264 298 W CB -0.105 28.947 29.460 -0.681 0.000 1.142 298 W HN -0.066 nan 8.180 nan 0.000 0.512 299 R N -0.024 120.268 120.500 -0.347 0.000 2.148 299 R HA -0.068 4.269 4.340 -0.004 0.000 0.223 299 R C 2.112 178.217 176.300 -0.324 0.000 1.088 299 R CA 1.315 57.164 56.100 -0.418 0.000 0.985 299 R CB -0.296 29.966 30.300 -0.062 0.000 0.880 299 R HN 0.144 nan 8.270 nan 0.000 0.451 300 K N -0.645 119.636 120.400 -0.199 0.000 2.366 300 K HA 0.021 4.339 4.320 -0.004 0.000 0.198 300 K C 0.809 177.297 176.600 -0.186 0.000 1.044 300 K CA 0.756 56.964 56.287 -0.131 0.000 0.973 300 K CB 0.413 32.895 32.500 -0.030 0.000 0.767 300 K HN 0.374 nan 8.250 nan 0.000 0.475 301 G N 1.668 110.289 108.800 -0.299 0.000 2.132 301 G HA2 -0.201 3.757 3.960 -0.004 0.000 0.228 301 G HA3 -0.201 3.757 3.960 -0.004 0.000 0.228 301 G C 0.242 175.049 174.900 -0.155 0.000 1.000 301 G CA 0.135 45.072 45.100 -0.272 0.000 0.693 301 G HN 0.222 nan 8.290 nan 0.000 0.515 302 N N 0.379 118.998 118.700 -0.135 0.000 2.336 302 N HA 0.126 4.864 4.740 -0.004 0.000 0.189 302 N C 1.134 176.621 175.510 -0.038 0.000 1.113 302 N CA 1.135 54.156 53.050 -0.048 0.000 0.858 302 N CB 0.356 38.843 38.487 0.000 0.000 0.970 302 N HN 0.766 nan 8.380 nan 0.000 0.471 303 T N -0.909 113.591 114.554 -0.091 0.000 2.837 303 T HA 0.531 4.879 4.350 -0.004 0.000 0.285 303 T C 0.462 175.178 174.700 0.026 0.000 0.984 303 T CA -0.831 61.243 62.100 -0.043 0.000 1.049 303 T CB 1.212 70.038 68.868 -0.069 0.000 0.947 303 T HN -0.169 nan 8.240 nan 0.000 0.472 304 I N 2.409 123.011 120.570 0.054 0.000 2.754 304 I HA 0.289 4.457 4.170 -0.004 0.000 0.285 304 I C 0.964 177.119 176.117 0.064 0.000 1.166 304 I CA 0.163 61.512 61.300 0.081 0.000 1.417 304 I CB 0.649 38.735 38.000 0.145 0.000 1.382 304 I HN 0.730 nan 8.210 nan 0.000 0.588 305 S N 3.202 118.945 115.700 0.073 0.000 2.433 305 S HA 0.705 5.173 4.470 -0.004 0.000 0.310 305 S C -0.216 174.421 174.600 0.063 0.000 1.097 305 S CA -0.489 57.751 58.200 0.066 0.000 1.103 305 S CB 0.177 63.414 63.200 0.062 0.000 0.992 305 S HN 0.834 nan 8.310 nan 0.000 0.469 306 T N 2.483 117.066 114.554 0.048 0.000 2.926 306 T HA 0.613 4.961 4.350 -0.004 0.000 0.289 306 T C -2.353 172.368 174.700 0.035 0.000 1.054 306 T CA -1.848 60.280 62.100 0.046 0.000 1.015 306 T CB 1.087 69.975 68.868 0.034 0.000 1.167 306 T HN 0.293 nan 8.240 nan 0.000 0.526 307 P HA 0.161 nan 4.420 nan 0.000 0.231 307 P C 0.825 178.139 177.300 0.023 0.000 1.158 307 P CA 0.501 63.620 63.100 0.032 0.000 0.763 307 P CB 0.111 31.831 31.700 0.034 0.000 0.805 308 R N -1.030 119.475 120.500 0.008 0.000 2.468 308 R HA 0.437 4.775 4.340 -0.004 0.000 0.280 308 R C 0.523 176.791 176.300 -0.053 0.000 0.963 308 R CA 0.187 56.276 56.100 -0.019 0.000 1.083 308 R CB 0.454 30.732 30.300 -0.036 0.000 1.200 308 R HN 0.145 nan 8.270 nan 0.000 0.541 309 G N 0.606 109.394 108.800 -0.020 0.000 2.479 309 G HA2 -0.159 3.799 3.960 -0.004 0.000 0.686 309 G HA3 -0.159 3.799 3.960 -0.004 0.000 0.686 309 G C -1.518 173.386 174.900 0.007 0.000 1.295 309 G CA -1.087 43.999 45.100 -0.023 0.000 0.922 309 G HN 0.114 nan 8.290 nan 0.000 0.582 310 D N -0.404 120.025 120.400 0.048 0.000 2.414 310 D HA 0.428 5.066 4.640 -0.004 0.000 0.242 310 D C 0.358 176.755 176.300 0.162 0.000 1.129 310 D CA 0.539 54.619 54.000 0.134 0.000 0.885 310 D CB 1.972 42.922 40.800 0.250 0.000 1.198 310 D HN 0.423 nan 8.370 nan 0.000 0.437 311 V N 1.073 121.060 119.914 0.121 0.000 3.159 311 V HA 0.355 4.472 4.120 -0.004 0.000 0.308 311 V C 0.376 176.494 176.094 0.040 0.000 1.190 311 V CA -0.850 61.500 62.300 0.085 0.000 1.037 311 V CB 2.219 33.952 31.823 -0.150 0.000 1.060 311 V HN 0.495 nan 8.190 nan 0.000 0.437 312 V N -0.613 119.348 119.914 0.078 0.000 3.285 312 V HA 0.753 4.870 4.120 -0.004 0.000 0.302 312 V C -1.579 174.408 176.094 -0.179 0.000 1.247 312 V CA -0.810 61.539 62.300 0.082 0.000 1.035 312 V CB 1.904 33.961 31.823 0.389 0.000 1.223 312 V HN 0.678 nan 8.190 nan 0.000 0.475 313 Y N -0.108 120.322 120.300 0.216 0.000 2.421 313 Y HA 0.688 5.236 4.550 -0.004 0.000 0.339 313 Y C -0.562 175.404 175.900 0.111 0.000 0.996 313 Y CA -0.707 57.478 58.100 0.141 0.000 1.046 313 Y CB 2.089 40.619 38.460 0.117 0.000 1.226 313 Y HN 0.633 nan 8.280 nan 0.000 0.445 314 L N 4.309 125.696 121.223 0.272 0.000 2.494 314 L HA 0.430 4.768 4.340 -0.004 0.000 0.251 314 L C -0.670 176.292 176.870 0.154 0.000 1.119 314 L CA -0.245 54.694 54.840 0.164 0.000 1.026 314 L CB -0.229 41.895 42.059 0.109 0.000 1.370 314 L HN 0.568 nan 8.230 nan 0.000 0.426 315 D N 2.021 122.516 120.400 0.158 0.000 2.312 315 D HA 0.232 4.870 4.640 -0.004 0.000 0.252 315 D C 0.670 177.017 176.300 0.077 0.000 1.150 315 D CA 0.132 54.198 54.000 0.109 0.000 0.870 315 D CB 0.934 41.795 40.800 0.101 0.000 1.153 315 D HN 0.543 nan 8.370 nan 0.000 0.457 316 L N 3.482 124.678 121.223 -0.045 0.000 2.858 316 L HA 0.256 4.594 4.340 -0.004 0.000 0.251 316 L C 2.206 178.858 176.870 -0.364 0.000 1.149 316 L CA -0.442 54.246 54.840 -0.253 0.000 0.955 316 L CB 0.001 41.966 42.059 -0.156 0.000 1.289 316 L HN 0.407 nan 8.230 nan 0.000 0.542 317 R N 0.942 121.356 120.500 -0.144 0.000 2.224 317 R HA -0.258 4.080 4.340 -0.004 0.000 0.251 317 R C 1.618 177.852 176.300 -0.110 0.000 1.123 317 R CA 2.346 58.402 56.100 -0.074 0.000 0.944 317 R CB -0.862 29.452 30.300 0.024 0.000 0.910 317 R HN 0.585 nan 8.270 nan 0.000 0.440 318 H N 0.302 119.361 119.070 -0.018 0.000 2.689 318 H HA 0.152 4.706 4.556 -0.004 0.000 0.290 318 H C 0.347 175.662 175.328 -0.022 0.000 1.089 318 H CA 0.166 56.203 56.048 -0.018 0.000 1.194 318 H CB -0.653 29.099 29.762 -0.016 0.000 1.289 318 H HN 0.151 nan 8.280 nan 0.000 0.616 319 L N 0.138 121.176 121.223 -0.308 0.000 2.365 319 L HA 0.502 4.839 4.340 -0.004 0.000 0.267 319 L C 0.855 177.658 176.870 -0.113 0.000 1.033 319 L CA -1.029 53.681 54.840 -0.216 0.000 0.802 319 L CB 1.554 43.457 42.059 -0.259 0.000 1.267 319 L HN 0.254 nan 8.230 nan 0.000 0.457 320 G N -0.389 108.359 108.800 -0.086 0.000 2.322 320 G HA2 0.290 4.248 3.960 -0.004 0.000 0.309 320 G HA3 0.290 4.248 3.960 -0.004 0.000 0.309 320 G C 0.195 175.040 174.900 -0.091 0.000 1.121 320 G CA -0.288 44.776 45.100 -0.060 0.000 0.886 320 G HN 0.674 nan 8.290 nan 0.000 0.447 321 E N 1.332 121.481 120.200 -0.083 0.000 2.331 321 E HA -0.080 4.267 4.350 -0.004 0.000 0.199 321 E C 2.252 178.837 176.600 -0.026 0.000 1.008 321 E CA 0.636 56.968 56.400 -0.113 0.000 0.843 321 E CB 0.209 29.924 29.700 0.026 0.000 0.761 321 E HN 0.387 nan 8.360 nan 0.000 0.507 322 K N 0.508 120.908 120.400 -0.001 0.000 1.984 322 K HA -0.033 4.285 4.320 -0.004 0.000 0.209 322 K C 1.894 178.510 176.600 0.027 0.000 1.046 322 K CA 1.207 57.512 56.287 0.029 0.000 0.934 322 K CB -0.201 32.312 32.500 0.022 0.000 0.717 322 K HN 0.101 nan 8.250 nan 0.000 0.438 323 K N 0.625 121.026 120.400 0.001 0.000 2.167 323 K HA -0.063 4.255 4.320 -0.004 0.000 0.203 323 K C 2.103 178.696 176.600 -0.012 0.000 1.052 323 K CA 0.251 56.544 56.287 0.009 0.000 0.956 323 K CB -0.176 32.325 32.500 0.002 0.000 0.735 323 K HN -0.068 nan 8.250 nan 0.000 0.451 324 L N 1.453 122.625 121.223 -0.085 0.000 1.933 324 L HA -0.211 4.127 4.340 -0.004 0.000 0.220 324 L C 1.362 178.167 176.870 -0.109 0.000 1.078 324 L CA 1.956 56.690 54.840 -0.177 0.000 0.773 324 L CB -0.622 41.202 42.059 -0.393 0.000 0.890 324 L HN 0.288 nan 8.230 nan 0.000 0.434 325 H N -0.135 118.948 119.070 0.021 0.000 2.933 325 H HA 0.108 4.661 4.556 -0.004 0.000 0.306 325 H C 1.002 176.349 175.328 0.032 0.000 1.142 325 H CA 0.775 56.838 56.048 0.024 0.000 1.193 325 H CB -0.276 29.494 29.762 0.013 0.000 1.330 325 H HN 0.618 nan 8.280 nan 0.000 0.585 326 E N 0.008 120.285 120.200 0.128 0.000 2.655 326 E HA 0.098 4.446 4.350 -0.004 0.000 0.212 326 E C 0.880 177.551 176.600 0.119 0.000 0.927 326 E CA 0.046 56.512 56.400 0.110 0.000 1.406 326 E CB 0.819 30.573 29.700 0.090 0.000 1.385 326 E HN 0.166 nan 8.360 nan 0.000 0.748 327 R N -0.231 120.337 120.500 0.113 0.000 2.471 327 R HA 0.327 4.665 4.340 -0.004 0.000 0.326 327 R C 0.206 176.577 176.300 0.118 0.000 0.875 327 R CA 0.041 56.219 56.100 0.131 0.000 1.102 327 R CB 0.986 31.359 30.300 0.121 0.000 1.749 327 R HN -0.000 nan 8.270 nan 0.000 0.487 328 L N 1.643 122.924 121.223 0.097 0.000 3.186 328 L HA 0.298 4.636 4.340 -0.004 0.000 0.317 328 L C -2.037 174.909 176.870 0.127 0.000 1.296 328 L CA -0.938 53.955 54.840 0.089 0.000 0.870 328 L CB 1.381 43.453 42.059 0.022 0.000 1.302 328 L HN -0.075 nan 8.230 nan 0.000 0.590 329 P HA -0.093 nan 4.420 nan 0.000 0.215 329 P C 1.685 179.112 177.300 0.212 0.000 1.157 329 P CA 0.626 63.850 63.100 0.207 0.000 0.869 329 P CB 0.290 32.081 31.700 0.151 0.000 0.781 330 F N 1.343 121.314 119.950 0.035 0.000 2.045 330 F HA -0.236 4.289 4.527 -0.004 0.000 0.297 330 F C 2.131 177.951 175.800 0.033 0.000 1.114 330 F CA 1.282 59.291 58.000 0.015 0.000 1.207 330 F CB -1.497 37.507 39.000 0.005 0.000 0.964 330 F HN -0.276 nan 8.300 nan 0.000 0.486 331 I N -0.396 120.324 120.570 0.250 0.000 2.248 331 I HA -0.361 3.807 4.170 -0.004 0.000 0.248 331 I C 2.724 178.913 176.117 0.119 0.000 1.107 331 I CA 1.329 62.694 61.300 0.108 0.000 1.373 331 I CB -1.381 36.657 38.000 0.062 0.000 1.055 331 I HN 0.216 nan 8.210 nan 0.000 0.418 332 C N -0.106 119.276 119.300 0.136 0.000 2.450 332 C HA -0.067 4.391 4.460 -0.004 0.000 0.279 332 C C 2.630 177.676 174.990 0.094 0.000 1.335 332 C CA 0.372 59.458 59.018 0.112 0.000 1.749 332 C CB -0.986 26.844 27.740 0.149 0.000 1.963 332 C HN 0.523 nan 8.230 nan 0.000 0.501 333 E N 0.983 121.249 120.200 0.110 0.000 2.046 333 E HA -0.135 4.213 4.350 -0.004 0.000 0.190 333 E C 2.055 178.672 176.600 0.028 0.000 0.982 333 E CA 0.953 57.384 56.400 0.052 0.000 0.800 333 E CB -0.239 29.487 29.700 0.043 0.000 0.756 333 E HN 0.576 nan 8.360 nan 0.000 0.449 334 L N 1.045 122.354 121.223 0.143 0.000 1.997 334 L HA -0.295 4.042 4.340 -0.004 0.000 0.216 334 L C 2.671 179.617 176.870 0.126 0.000 1.074 334 L CA 1.450 56.404 54.840 0.190 0.000 0.763 334 L CB -0.666 41.541 42.059 0.247 0.000 0.890 334 L HN 0.169 nan 8.230 nan 0.000 0.434 335 A N -0.132 122.749 122.820 0.101 0.000 1.877 335 A HA -0.223 4.095 4.320 -0.004 0.000 0.216 335 A C 2.343 179.952 177.584 0.042 0.000 1.186 335 A CA 1.859 53.946 52.037 0.083 0.000 0.620 335 A CB -0.419 18.624 19.000 0.073 0.000 0.822 335 A HN 0.348 nan 8.150 nan 0.000 0.443 336 K N -0.436 119.970 120.400 0.010 0.000 2.057 336 K HA -0.092 4.226 4.320 -0.004 0.000 0.207 336 K C 2.353 178.910 176.600 -0.072 0.000 1.049 336 K CA 1.239 57.516 56.287 -0.018 0.000 0.931 336 K CB -0.328 32.160 32.500 -0.020 0.000 0.714 336 K HN 0.456 nan 8.250 nan 0.000 0.440 337 A N 0.600 123.314 122.820 -0.176 0.000 1.854 337 A HA -0.111 4.207 4.320 -0.004 0.000 0.214 337 A C 1.962 179.335 177.584 -0.352 0.000 1.192 337 A CA 1.120 52.940 52.037 -0.361 0.000 0.611 337 A CB -0.686 17.914 19.000 -0.666 0.000 0.832 337 A HN 0.294 nan 8.150 nan 0.000 0.442 338 Y N -0.549 119.772 120.300 0.035 0.000 2.301 338 Y HA 0.036 4.584 4.550 -0.004 0.000 0.295 338 Y C 2.124 178.038 175.900 0.023 0.000 1.119 338 Y CA 0.981 59.097 58.100 0.027 0.000 1.162 338 Y CB 0.203 38.676 38.460 0.022 0.000 1.046 338 Y HN 0.202 nan 8.280 nan 0.000 0.538 339 V N -3.025 116.982 119.914 0.155 0.000 3.483 339 V HA 0.512 4.630 4.120 -0.004 0.000 0.301 339 V C 1.187 177.326 176.094 0.076 0.000 1.389 339 V CA 0.072 62.436 62.300 0.106 0.000 1.101 339 V CB -0.241 31.642 31.823 0.099 0.000 0.971 339 V HN 0.421 nan 8.190 nan 0.000 0.434 340 G N 0.643 109.474 108.800 0.052 0.000 2.366 340 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.299 340 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.299 340 G C -0.156 174.769 174.900 0.041 0.000 1.020 340 G CA 0.611 45.732 45.100 0.034 0.000 1.026 340 G HN 0.956 nan 8.290 nan 0.000 0.512 341 V N -0.081 119.860 119.914 0.045 0.000 2.709 341 V HA 0.461 4.578 4.120 -0.004 0.000 0.308 341 V C -0.536 175.583 176.094 0.040 0.000 1.062 341 V CA -1.148 61.182 62.300 0.050 0.000 0.901 341 V CB 2.142 34.012 31.823 0.078 0.000 1.003 341 V HN 0.320 nan 8.190 nan 0.000 0.425 342 D N 5.383 125.803 120.400 0.033 0.000 2.347 342 D HA 0.325 4.962 4.640 -0.004 0.000 0.235 342 D C -2.190 174.126 176.300 0.026 0.000 1.149 342 D CA -1.894 52.124 54.000 0.030 0.000 0.850 342 D CB 2.195 43.010 40.800 0.024 0.000 1.061 342 D HN 0.228 nan 8.370 nan 0.000 0.487 343 P HA -0.048 nan 4.420 nan 0.000 0.301 343 P C 0.680 177.967 177.300 -0.022 0.000 1.560 343 P CA 0.410 63.516 63.100 0.009 0.000 0.784 343 P CB 0.046 31.755 31.700 0.015 0.000 1.715 344 V N -5.086 114.821 119.914 -0.013 0.000 3.093 344 V HA 0.188 4.306 4.120 -0.004 0.000 0.251 344 V C 1.546 177.634 176.094 -0.010 0.000 1.719 344 V CA 0.257 62.542 62.300 -0.024 0.000 1.026 344 V CB -0.376 31.441 31.823 -0.010 0.000 0.926 344 V HN -0.047 nan 8.190 nan 0.000 0.396 345 K N 0.159 120.559 120.400 -0.000 0.000 2.334 345 K HA 0.346 4.664 4.320 -0.004 0.000 0.195 345 K C 0.542 177.138 176.600 -0.008 0.000 1.045 345 K CA 0.647 56.934 56.287 0.000 0.000 1.004 345 K CB 0.475 32.979 32.500 0.007 0.000 0.837 345 K HN 0.616 nan 8.250 nan 0.000 0.510 346 E N 0.119 120.315 120.200 -0.007 0.000 2.456 346 E HA 0.356 4.704 4.350 -0.004 0.000 0.276 346 E C -2.837 173.753 176.600 -0.017 0.000 0.981 346 E CA -2.275 54.112 56.400 -0.021 0.000 0.814 346 E CB 2.101 31.799 29.700 -0.003 0.000 1.382 346 E HN -0.107 nan 8.360 nan 0.000 0.459 347 P HA 0.411 nan 4.420 nan 0.000 0.294 347 P C -0.482 176.924 177.300 0.176 0.000 1.294 347 P CA -0.413 62.680 63.100 -0.011 0.000 0.827 347 P CB 0.636 32.156 31.700 -0.299 0.000 0.992 348 I N 4.747 125.452 120.570 0.225 0.000 2.379 348 I HA 0.223 4.391 4.170 -0.004 0.000 0.290 348 I C -1.901 174.387 176.117 0.285 0.000 1.063 348 I CA -2.261 59.168 61.300 0.215 0.000 1.351 348 I CB 0.673 38.748 38.000 0.123 0.000 1.410 348 I HN 0.122 nan 8.210 nan 0.000 0.505 349 P HA 0.161 nan 4.420 nan 0.000 0.276 349 P C -0.559 176.705 177.300 -0.060 0.000 1.243 349 P CA 0.026 63.099 63.100 -0.046 0.000 0.768 349 P CB 1.393 33.075 31.700 -0.030 0.000 0.856 350 V N 1.575 121.429 119.914 -0.099 0.000 3.156 350 V HA 0.930 5.048 4.120 -0.004 0.000 0.310 350 V C -0.751 175.254 176.094 -0.148 0.000 1.234 350 V CA -1.221 61.028 62.300 -0.085 0.000 1.065 350 V CB 2.382 34.190 31.823 -0.026 0.000 1.088 350 V HN 0.810 nan 8.190 nan 0.000 0.451 351 R N -1.192 119.150 120.500 -0.264 0.000 2.824 351 R HA 0.471 4.808 4.340 -0.004 0.000 0.267 351 R C -3.509 172.513 176.300 -0.464 0.000 1.035 351 R CA -1.391 54.324 56.100 -0.641 0.000 0.887 351 R CB 0.807 30.664 30.300 -0.738 0.000 1.262 351 R HN 0.505 nan 8.270 nan 0.000 0.487 352 P HA 0.125 nan 4.420 nan 0.000 0.266 352 P C -0.872 176.433 177.300 0.009 0.000 1.195 352 P CA 0.360 63.363 63.100 -0.161 0.000 0.768 352 P CB 0.798 32.408 31.700 -0.150 0.000 0.838 353 T N 0.958 115.554 114.554 0.070 0.000 2.906 353 T HA 0.609 4.957 4.350 -0.004 0.000 0.295 353 T C -0.498 173.916 174.700 -0.476 0.000 1.061 353 T CA -0.639 61.412 62.100 -0.082 0.000 1.000 353 T CB 1.639 70.450 68.868 -0.095 0.000 1.103 353 T HN 0.300 nan 8.240 nan 0.000 0.486 354 A N 1.113 123.483 122.820 -0.751 0.000 2.522 354 A HA 0.381 4.699 4.320 -0.004 0.000 0.256 354 A C 0.393 177.737 177.584 -0.400 0.000 1.086 354 A CA 0.472 51.887 52.037 -1.037 0.000 0.763 354 A CB -0.328 18.157 19.000 -0.858 0.000 1.024 354 A HN 1.081 nan 8.150 nan 0.000 0.502 355 H N 1.936 120.762 119.070 -0.407 0.000 2.269 355 H HA 0.294 4.848 4.556 -0.003 0.000 0.216 355 H C -0.714 174.590 175.328 -0.039 0.000 0.985 355 H CA 0.701 56.663 56.048 -0.144 0.000 1.274 355 H CB 0.064 29.817 29.762 -0.015 0.000 1.283 355 H HN 0.635 nan 8.280 nan 0.000 0.491 356 Y N 1.207 121.358 120.300 -0.248 0.000 2.377 356 Y HA 0.429 4.977 4.550 -0.004 0.000 0.339 356 Y C -0.719 175.098 175.900 -0.138 0.000 1.011 356 Y CA -0.752 57.173 58.100 -0.291 0.000 1.093 356 Y CB 1.773 40.076 38.460 -0.262 0.000 1.201 356 Y HN 0.123 nan 8.280 nan 0.000 0.455 357 T N 7.860 121.970 114.554 -0.740 0.000 2.762 357 T HA 0.199 4.547 4.350 -0.004 0.000 0.303 357 T C 1.008 175.446 174.700 -0.437 0.000 0.977 357 T CA -0.326 61.521 62.100 -0.423 0.000 0.961 357 T CB 0.294 68.968 68.868 -0.323 0.000 0.944 357 T HN 0.754 nan 8.240 nan 0.000 0.481 358 M N 1.632 121.218 119.600 -0.024 0.000 2.476 358 M HA 0.182 4.660 4.480 -0.004 0.000 0.262 358 M C 1.564 177.952 176.300 0.146 0.000 1.111 358 M CA 0.128 55.542 55.300 0.189 0.000 1.127 358 M CB 0.005 32.792 32.600 0.312 0.000 1.376 358 M HN 0.567 nan 8.290 nan 0.000 0.465 359 G N 0.317 109.172 108.800 0.091 0.000 2.507 359 G HA2 0.543 4.501 3.960 -0.004 0.000 0.271 359 G HA3 0.543 4.501 3.960 -0.004 0.000 0.271 359 G C -0.180 174.704 174.900 -0.027 0.000 1.189 359 G CA 0.071 45.203 45.100 0.052 0.000 0.859 359 G HN 0.414 nan 8.290 nan 0.000 0.542 360 G N -0.760 108.010 108.800 -0.049 0.000 2.313 360 G HA2 0.356 4.313 3.960 -0.004 0.000 0.296 360 G HA3 0.356 4.313 3.960 -0.004 0.000 0.296 360 G C -0.540 174.302 174.900 -0.097 0.000 1.356 360 G CA -1.086 43.968 45.100 -0.077 0.000 0.833 360 G HN 0.768 nan 8.290 nan 0.000 0.552 361 I N 1.274 121.787 120.570 -0.094 0.000 2.996 361 I HA -0.062 4.106 4.170 -0.004 0.000 0.310 361 I C 1.113 177.161 176.117 -0.114 0.000 1.225 361 I CA 0.641 61.878 61.300 -0.104 0.000 1.442 361 I CB 0.474 38.431 38.000 -0.072 0.000 1.334 361 I HN 0.485 nan 8.210 nan 0.000 0.550 362 E N 6.751 126.865 120.200 -0.143 0.000 2.299 362 E HA 0.097 4.445 4.350 -0.004 0.000 0.272 362 E C -0.244 176.280 176.600 -0.126 0.000 1.043 362 E CA -0.109 56.202 56.400 -0.148 0.000 0.895 362 E CB 0.709 30.308 29.700 -0.170 0.000 1.011 362 E HN 0.702 nan 8.360 nan 0.000 0.432 363 T N 1.255 115.736 114.554 -0.120 0.000 2.887 363 T HA 0.275 4.623 4.350 -0.004 0.000 0.292 363 T C -0.009 174.633 174.700 -0.097 0.000 1.087 363 T CA -0.952 61.084 62.100 -0.107 0.000 1.009 363 T CB 1.649 70.472 68.868 -0.075 0.000 1.203 363 T HN 0.499 nan 8.240 nan 0.000 0.518 364 D N 0.620 120.963 120.400 -0.095 0.000 2.453 364 D HA 0.144 4.782 4.640 -0.004 0.000 0.282 364 D C 0.780 177.066 176.300 -0.023 0.000 1.222 364 D CA -0.326 53.632 54.000 -0.070 0.000 1.079 364 D CB 0.268 41.012 40.800 -0.093 0.000 1.128 364 D HN 0.525 nan 8.370 nan 0.000 0.568 365 Q N -1.209 118.584 119.800 -0.012 0.000 2.515 365 Q HA 0.123 4.461 4.340 -0.004 0.000 0.212 365 Q C 0.207 176.222 176.000 0.024 0.000 0.970 365 Q CA 0.674 56.495 55.803 0.030 0.000 0.941 365 Q CB -0.243 28.487 28.738 -0.014 0.000 0.998 365 Q HN 0.418 nan 8.270 nan 0.000 0.518 366 N N -1.389 117.310 118.700 -0.002 0.000 2.433 366 N HA 0.156 4.894 4.740 -0.004 0.000 0.270 366 N C -0.731 174.822 175.510 0.071 0.000 1.354 366 N CA -0.132 52.930 53.050 0.020 0.000 0.889 366 N CB 0.766 39.237 38.487 -0.027 0.000 1.285 366 N HN 0.114 nan 8.380 nan 0.000 0.503 367 C N 0.631 119.983 119.300 0.087 0.000 4.301 367 C HA -0.213 4.245 4.460 -0.004 0.000 0.284 367 C C 0.965 175.892 174.990 -0.106 0.000 1.517 367 C CA 0.630 59.701 59.018 0.088 0.000 1.925 367 C CB -2.613 25.284 27.740 0.262 0.000 1.531 367 C HN 0.641 nan 8.230 nan 0.000 0.756 368 E N 1.371 121.351 120.200 -0.367 0.000 2.331 368 E HA 0.443 4.791 4.350 -0.004 0.000 0.272 368 E C 0.986 177.375 176.600 -0.352 0.000 1.036 368 E CA 0.498 56.480 56.400 -0.697 0.000 0.864 368 E CB 0.997 30.176 29.700 -0.867 0.000 1.035 368 E HN 0.576 nan 8.360 nan 0.000 0.408 369 T N 1.521 115.893 114.554 -0.303 0.000 2.914 369 T HA 0.259 4.607 4.350 -0.004 0.000 0.313 369 T C 1.143 175.745 174.700 -0.163 0.000 1.137 369 T CA -0.265 61.728 62.100 -0.178 0.000 0.946 369 T CB 0.658 69.454 68.868 -0.120 0.000 1.558 369 T HN 0.558 nan 8.240 nan 0.000 0.565 370 R N -0.551 119.885 120.500 -0.107 0.000 2.075 370 R HA 0.250 4.588 4.340 -0.004 0.000 0.226 370 R C 0.701 176.950 176.300 -0.085 0.000 1.114 370 R CA 0.570 56.626 56.100 -0.074 0.000 0.972 370 R CB -0.490 29.796 30.300 -0.023 0.000 0.869 370 R HN 0.574 nan 8.270 nan 0.000 0.437 371 I N 3.074 123.592 120.570 -0.086 0.000 2.587 371 I HA -0.053 4.115 4.170 -0.004 0.000 0.284 371 I C 0.381 176.389 176.117 -0.181 0.000 1.134 371 I CA 0.161 61.401 61.300 -0.100 0.000 1.410 371 I CB 0.430 38.382 38.000 -0.080 0.000 1.392 371 I HN -0.023 nan 8.210 nan 0.000 0.545 372 K N 5.266 125.533 120.400 -0.222 0.000 2.451 372 K HA 0.082 4.400 4.320 -0.004 0.000 0.280 372 K C 1.078 177.269 176.600 -0.681 0.000 1.020 372 K CA 0.888 56.956 56.287 -0.366 0.000 1.008 372 K CB 0.605 32.960 32.500 -0.242 0.000 0.917 372 K HN 1.024 nan 8.250 nan 0.000 0.478 373 G N 1.834 110.407 108.800 -0.378 0.000 2.299 373 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.237 373 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.237 373 G C -0.156 174.890 174.900 0.242 0.000 1.027 373 G CA -0.071 44.982 45.100 -0.078 0.000 0.619 373 G HN 0.484 nan 8.290 nan 0.000 0.513 374 L N 1.977 123.219 121.223 0.032 0.000 2.319 374 L HA 0.778 5.116 4.340 -0.004 0.000 0.280 374 L C -0.396 176.559 176.870 0.143 0.000 1.099 374 L CA -0.816 54.099 54.840 0.126 0.000 0.828 374 L CB 0.025 42.079 42.059 -0.008 0.000 1.150 374 L HN 0.083 nan 8.230 nan 0.000 0.442 375 F N 3.536 123.460 119.950 -0.045 0.000 2.618 375 F HA 0.878 5.403 4.527 -0.004 0.000 0.332 375 F C 0.127 175.917 175.800 -0.016 0.000 1.061 375 F CA -0.695 57.290 58.000 -0.025 0.000 0.974 375 F CB 1.714 40.708 39.000 -0.009 0.000 1.310 375 F HN 0.550 nan 8.300 nan 0.000 0.491 376 A N 1.006 123.940 122.820 0.190 0.000 2.465 376 A HA 0.704 5.022 4.320 -0.004 0.000 0.292 376 A C -1.942 175.706 177.584 0.108 0.000 1.041 376 A CA -0.638 51.461 52.037 0.102 0.000 0.718 376 A CB 1.437 20.456 19.000 0.032 0.000 1.266 376 A HN 0.785 nan 8.150 nan 0.000 0.403 377 V N 1.837 121.813 119.914 0.102 0.000 3.160 377 V HA 0.945 5.062 4.120 -0.004 0.000 0.310 377 V C 0.623 176.766 176.094 0.081 0.000 1.181 377 V CA 1.071 63.440 62.300 0.116 0.000 1.047 377 V CB 1.847 33.771 31.823 0.169 0.000 1.068 377 V HN 2.972 nan 8.190 nan 0.000 0.441 378 G N 2.469 111.321 108.800 0.087 0.000 2.681 378 G HA2 -0.227 3.730 3.960 -0.004 0.000 0.220 378 G HA3 -0.227 3.730 3.960 -0.004 0.000 0.220 378 G C 0.450 175.384 174.900 0.055 0.000 1.353 378 G CA 0.629 45.781 45.100 0.085 0.000 0.872 378 G HN 1.284 nan 8.290 nan 0.000 0.557 379 E N -0.586 119.641 120.200 0.044 0.000 2.463 379 E HA -0.094 4.254 4.350 -0.004 0.000 0.201 379 E C 2.420 178.959 176.600 -0.100 0.000 1.045 379 E CA 1.804 58.171 56.400 -0.054 0.000 0.872 379 E CB -0.474 29.127 29.700 -0.165 0.000 0.797 379 E HN 0.847 nan 8.360 nan 0.000 0.538 380 C N -0.558 118.711 119.300 -0.051 0.000 2.563 380 C HA 0.201 4.659 4.460 -0.004 0.000 0.268 380 C C 2.016 176.976 174.990 -0.049 0.000 1.365 380 C CA -0.049 58.936 59.018 -0.056 0.000 1.754 380 C CB -0.932 26.790 27.740 -0.031 0.000 1.932 380 C HN 0.323 nan 8.230 nan 0.000 0.536 381 S N 0.954 116.633 115.700 -0.035 0.000 2.298 381 S HA 0.479 4.947 4.470 -0.004 0.000 0.245 381 S C 0.432 174.990 174.600 -0.070 0.000 1.230 381 S CA 0.513 58.686 58.200 -0.045 0.000 1.009 381 S CB 0.218 63.401 63.200 -0.030 0.000 1.019 381 S HN 0.922 nan 8.310 nan 0.000 0.459 382 S N -0.762 114.877 115.700 -0.102 0.000 3.402 382 S HA 0.061 4.529 4.470 -0.004 0.000 0.127 382 S C 0.405 174.891 174.600 -0.189 0.000 0.852 382 S CA 0.052 58.171 58.200 -0.134 0.000 0.823 382 S CB -1.126 62.004 63.200 -0.116 0.000 1.333 382 S HN 1.306 nan 8.310 nan 0.000 0.663 383 V N 0.434 120.208 119.914 -0.234 0.000 3.099 383 V HA 0.216 4.334 4.120 -0.004 0.000 0.269 383 V C 1.606 177.561 176.094 -0.230 0.000 1.150 383 V CA 1.393 63.558 62.300 -0.225 0.000 1.165 383 V CB -1.795 29.810 31.823 -0.364 0.000 0.756 383 V HN 1.668 nan 8.190 nan 0.000 0.527 384 G N 0.022 108.661 108.800 -0.270 0.000 2.303 384 G HA2 -0.191 3.766 3.960 -0.004 0.000 0.260 384 G HA3 -0.191 3.766 3.960 -0.004 0.000 0.260 384 G C -0.053 174.696 174.900 -0.251 0.000 1.106 384 G CA 0.300 45.276 45.100 -0.207 0.000 0.900 384 G HN 0.697 nan 8.290 nan 0.000 0.495 385 L N -1.095 119.840 121.223 -0.480 0.000 2.500 385 L HA 0.434 4.772 4.340 -0.004 0.000 0.219 385 L C 2.030 178.611 176.870 -0.482 0.000 1.057 385 L CA 1.336 55.828 54.840 -0.581 0.000 0.854 385 L CB -0.049 41.412 42.059 -0.997 0.000 1.078 385 L HN 0.338 nan 8.230 nan 0.000 0.480 386 H N -0.517 118.439 119.070 -0.190 0.000 2.547 386 H HA 0.436 4.989 4.556 -0.004 0.000 0.272 386 H C 1.506 176.736 175.328 -0.164 0.000 0.971 386 H CA 0.418 56.371 56.048 -0.159 0.000 1.245 386 H CB -0.168 29.546 29.762 -0.081 0.000 1.440 386 H HN 0.340 nan 8.280 nan 0.000 0.540 387 G N 1.049 109.813 108.800 -0.061 0.000 2.561 387 G HA2 -0.370 3.588 3.960 -0.004 0.000 0.289 387 G HA3 -0.370 3.588 3.960 -0.004 0.000 0.289 387 G C 1.240 175.920 174.900 -0.367 0.000 1.169 387 G CA 1.397 46.411 45.100 -0.142 0.000 0.980 387 G HN 0.623 nan 8.290 nan 0.000 0.550 388 A N -0.227 122.248 122.820 -0.574 0.000 2.238 388 A HA 0.494 4.811 4.320 -0.004 0.000 0.210 388 A C 0.902 178.209 177.584 -0.461 0.000 1.179 388 A CA 1.480 52.844 52.037 -1.122 0.000 0.827 388 A CB -0.031 18.420 19.000 -0.915 0.000 0.856 388 A HN 0.878 nan 8.150 nan 0.000 0.488 389 N N -0.014 118.549 118.700 -0.227 0.000 2.537 389 N HA 0.134 4.872 4.740 -0.004 0.000 0.281 389 N C -1.528 173.933 175.510 -0.081 0.000 1.097 389 N CA -0.450 52.542 53.050 -0.096 0.000 0.964 389 N CB 1.534 39.968 38.487 -0.089 0.000 1.588 389 N HN 0.170 nan 8.380 nan 0.000 0.511 390 R N 2.823 123.267 120.500 -0.094 0.000 2.347 390 R HA 0.210 4.548 4.340 -0.004 0.000 0.304 390 R C -0.597 175.590 176.300 -0.188 0.000 1.072 390 R CA -0.429 55.525 56.100 -0.244 0.000 0.980 390 R CB 0.254 30.181 30.300 -0.621 0.000 0.986 390 R HN 0.524 nan 8.270 nan 0.000 0.448 391 L N 3.956 125.108 121.223 -0.119 0.000 2.367 391 L HA 0.268 4.605 4.340 -0.004 0.000 0.275 391 L C 0.547 177.391 176.870 -0.043 0.000 1.129 391 L CA 0.417 55.232 54.840 -0.043 0.000 0.839 391 L CB 1.022 43.102 42.059 0.035 0.000 1.133 391 L HN 0.767 nan 8.230 nan 0.000 0.453 392 G N 3.179 111.982 108.800 0.006 0.000 2.414 392 G HA2 0.310 4.267 3.960 -0.004 0.000 0.236 392 G HA3 0.310 4.267 3.960 -0.004 0.000 0.236 392 G C 0.618 175.558 174.900 0.066 0.000 1.293 392 G CA 0.313 45.446 45.100 0.056 0.000 0.869 392 G HN 1.805 nan 8.290 nan 0.000 0.556 393 S N 0.401 116.107 115.700 0.010 0.000 3.635 393 S HA -0.228 4.240 4.470 -0.004 0.000 0.328 393 S C 0.819 175.465 174.600 0.077 0.000 1.135 393 S CA 1.288 59.485 58.200 -0.005 0.000 0.942 393 S CB -1.811 61.359 63.200 -0.050 0.000 0.930 393 S HN 0.741 nan 8.310 nan 0.000 0.512 394 N N 0.082 118.830 118.700 0.079 0.000 2.317 394 N HA 0.307 5.045 4.740 -0.004 0.000 0.199 394 N C 1.454 177.046 175.510 0.136 0.000 1.145 394 N CA 0.669 53.853 53.050 0.223 0.000 0.882 394 N CB 0.445 39.057 38.487 0.209 0.000 1.113 394 N HN 0.451 nan 8.380 nan 0.000 0.486 395 S N 0.308 115.980 115.700 -0.046 0.000 2.345 395 S HA 0.094 4.562 4.470 -0.004 0.000 0.219 395 S C 1.791 176.469 174.600 0.130 0.000 1.031 395 S CA 0.735 58.923 58.200 -0.019 0.000 0.984 395 S CB -0.268 62.830 63.200 -0.170 0.000 0.874 395 S HN 0.205 nan 8.310 nan 0.000 0.451 396 L N 1.347 122.646 121.223 0.127 0.000 2.013 396 L HA -0.151 4.187 4.340 -0.004 0.000 0.212 396 L C 3.017 180.019 176.870 0.221 0.000 1.073 396 L CA 1.465 56.409 54.840 0.173 0.000 0.753 396 L CB -0.917 41.245 42.059 0.173 0.000 0.890 396 L HN 0.446 nan 8.230 nan 0.000 0.432 397 A N -0.293 122.677 122.820 0.250 0.000 1.917 397 A HA -0.311 4.007 4.320 -0.004 0.000 0.219 397 A C 2.269 180.152 177.584 0.499 0.000 1.182 397 A CA 2.151 54.383 52.037 0.325 0.000 0.633 397 A CB -0.686 18.560 19.000 0.409 0.000 0.819 397 A HN 0.534 nan 8.150 nan 0.000 0.448 398 E N -0.023 120.447 120.200 0.451 0.000 2.070 398 E HA -0.222 4.126 4.350 -0.004 0.000 0.197 398 E C 1.954 178.763 176.600 0.349 0.000 1.004 398 E CA 1.531 58.123 56.400 0.320 0.000 0.805 398 E CB -0.285 29.422 29.700 0.011 0.000 0.744 398 E HN 0.672 nan 8.360 nan 0.000 0.451 399 L N 0.608 121.988 121.223 0.262 0.000 2.079 399 L HA -0.198 4.139 4.340 -0.004 0.000 0.210 399 L C 2.737 179.745 176.870 0.231 0.000 1.081 399 L CA 1.435 56.411 54.840 0.228 0.000 0.752 399 L CB -0.742 41.434 42.059 0.195 0.000 0.896 399 L HN 0.224 nan 8.230 nan 0.000 0.433 400 V N -4.788 115.261 119.914 0.225 0.000 2.649 400 V HA -0.031 4.087 4.120 -0.004 0.000 0.248 400 V C 2.195 178.372 176.094 0.138 0.000 1.054 400 V CA 0.716 63.116 62.300 0.166 0.000 1.073 400 V CB -0.218 31.674 31.823 0.115 0.000 0.699 400 V HN 0.143 nan 8.190 nan 0.000 0.463 401 V N -0.406 119.627 119.914 0.198 0.000 2.346 401 V HA -0.009 4.108 4.120 -0.004 0.000 0.244 401 V C 2.250 178.340 176.094 -0.007 0.000 1.037 401 V CA 2.029 64.375 62.300 0.077 0.000 1.029 401 V CB -0.722 31.189 31.823 0.148 0.000 0.663 401 V HN 0.502 nan 8.190 nan 0.000 0.454 402 F N 0.827 120.860 119.950 0.138 0.000 2.765 402 F HA 0.300 4.825 4.527 -0.004 0.000 0.302 402 F C 2.016 177.895 175.800 0.131 0.000 1.111 402 F CA 0.641 58.732 58.000 0.152 0.000 1.359 402 F CB -0.460 38.618 39.000 0.129 0.000 1.097 402 F HN 0.149 nan 8.300 nan 0.000 0.577 403 G N -0.337 108.609 108.800 0.244 0.000 2.459 403 G HA2 -0.105 3.853 3.960 -0.004 0.000 0.213 403 G HA3 -0.105 3.853 3.960 -0.004 0.000 0.213 403 G C 1.780 176.753 174.900 0.121 0.000 1.155 403 G CA 0.075 45.281 45.100 0.176 0.000 0.811 403 G HN 0.214 nan 8.290 nan 0.000 0.534 404 R N -0.281 120.281 120.500 0.102 0.000 2.070 404 R HA -0.016 4.322 4.340 -0.004 0.000 0.233 404 R C 2.432 178.768 176.300 0.059 0.000 1.137 404 R CA 1.451 57.594 56.100 0.071 0.000 0.945 404 R CB -0.491 29.842 30.300 0.055 0.000 0.845 404 R HN 0.287 nan 8.270 nan 0.000 0.430 405 L N 1.076 122.336 121.223 0.063 0.000 1.963 405 L HA -0.198 4.139 4.340 -0.004 0.000 0.220 405 L C 2.388 179.310 176.870 0.086 0.000 1.076 405 L CA 2.571 57.451 54.840 0.067 0.000 0.772 405 L CB -1.034 41.063 42.059 0.063 0.000 0.892 405 L HN 0.314 nan 8.230 nan 0.000 0.435 406 A N -0.596 122.305 122.820 0.135 0.000 1.958 406 A HA -0.212 4.106 4.320 -0.004 0.000 0.221 406 A C 2.302 179.870 177.584 -0.027 0.000 1.178 406 A CA 2.104 54.224 52.037 0.137 0.000 0.642 406 A CB -1.777 17.323 19.000 0.167 0.000 0.816 406 A HN 0.666 nan 8.150 nan 0.000 0.453 407 G N -0.593 108.197 108.800 -0.016 0.000 2.453 407 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.215 407 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.215 407 G C 1.382 176.230 174.900 -0.088 0.000 1.201 407 G CA 0.971 46.029 45.100 -0.069 0.000 0.784 407 G HN 0.658 nan 8.290 nan 0.000 0.545 408 E N 0.228 120.408 120.200 -0.033 0.000 2.049 408 E HA -0.193 4.155 4.350 -0.004 0.000 0.198 408 E C 2.734 179.321 176.600 -0.022 0.000 1.007 408 E CA 1.307 57.695 56.400 -0.021 0.000 0.809 408 E CB -0.138 29.566 29.700 0.007 0.000 0.749 408 E HN 0.328 nan 8.360 nan 0.000 0.450 409 Q N 0.083 119.893 119.800 0.017 0.000 2.124 409 Q HA -0.115 4.223 4.340 -0.004 0.000 0.202 409 Q C 2.212 178.216 176.000 0.007 0.000 0.977 409 Q CA 1.368 57.238 55.803 0.112 0.000 0.850 409 Q CB -0.368 28.560 28.738 0.316 0.000 0.901 409 Q HN 0.300 nan 8.270 nan 0.000 0.429 410 A N 0.585 123.159 122.820 -0.410 0.000 1.969 410 A HA -0.131 4.187 4.320 -0.004 0.000 0.218 410 A C 2.321 179.733 177.584 -0.286 0.000 1.169 410 A CA 1.751 53.303 52.037 -0.809 0.000 0.635 410 A CB -0.671 17.789 19.000 -0.900 0.000 0.810 410 A HN 0.353 nan 8.150 nan 0.000 0.445 411 T N 0.195 114.653 114.554 -0.160 0.000 2.674 411 T HA -0.149 4.199 4.350 -0.004 0.000 0.265 411 T C 1.783 176.470 174.700 -0.023 0.000 1.039 411 T CA 1.742 63.797 62.100 -0.075 0.000 1.150 411 T CB -0.276 68.562 68.868 -0.050 0.000 0.864 411 T HN 0.682 nan 8.240 nan 0.000 0.427 412 E N 0.648 120.850 120.200 0.003 0.000 2.051 412 E HA -0.119 4.229 4.350 -0.004 0.000 0.192 412 E C 2.261 178.903 176.600 0.070 0.000 0.991 412 E CA 0.814 57.236 56.400 0.037 0.000 0.799 412 E CB -0.156 29.573 29.700 0.048 0.000 0.748 412 E HN 0.092 nan 8.360 nan 0.000 0.449 413 R N 0.236 120.807 120.500 0.118 0.000 2.357 413 R HA -0.027 4.311 4.340 -0.004 0.000 0.202 413 R C 1.068 177.467 176.300 0.165 0.000 1.047 413 R CA 0.843 57.058 56.100 0.190 0.000 1.034 413 R CB -0.066 30.477 30.300 0.404 0.000 0.875 413 R HN 0.186 nan 8.270 nan 0.000 0.473 414 A N -1.895 120.978 122.820 0.087 0.000 2.141 414 A HA 0.406 4.724 4.320 -0.004 0.000 0.201 414 A C 1.829 179.440 177.584 0.044 0.000 1.344 414 A CA 0.357 52.438 52.037 0.075 0.000 0.971 414 A CB -0.044 18.973 19.000 0.028 0.000 1.035 414 A HN 0.276 nan 8.150 nan 0.000 0.480 415 A N 0.260 123.100 122.820 0.034 0.000 1.897 415 A HA 0.029 4.347 4.320 -0.004 0.000 0.215 415 A C 1.989 179.586 177.584 0.023 0.000 1.181 415 A CA 2.127 54.177 52.037 0.022 0.000 0.620 415 A CB -0.882 18.129 19.000 0.018 0.000 0.821 415 A HN 0.806 nan 8.150 nan 0.000 0.443 416 T N -3.705 110.871 114.554 0.036 0.000 3.264 416 T HA 0.584 4.932 4.350 -0.004 0.000 0.257 416 T C 0.764 175.487 174.700 0.038 0.000 0.976 416 T CA 0.491 62.609 62.100 0.032 0.000 0.908 416 T CB 0.378 69.267 68.868 0.035 0.000 1.082 416 T HN 0.411 nan 8.240 nan 0.000 0.567 417 A N 0.524 123.363 122.820 0.032 0.000 2.275 417 A HA 0.704 5.022 4.320 -0.004 0.000 0.212 417 A C 1.643 179.165 177.584 -0.102 0.000 1.201 417 A CA 0.145 52.185 52.037 0.005 0.000 0.843 417 A CB -0.965 18.069 19.000 0.057 0.000 0.873 417 A HN 1.265 nan 8.150 nan 0.000 0.492 418 G N 0.185 108.948 108.800 -0.062 0.000 2.622 418 G HA2 -0.259 3.699 3.960 -0.004 0.000 0.272 418 G HA3 -0.259 3.699 3.960 -0.004 0.000 0.272 418 G C -0.245 174.591 174.900 -0.107 0.000 1.308 418 G CA 0.172 45.227 45.100 -0.075 0.000 0.919 418 G HN 0.597 nan 8.290 nan 0.000 0.565 419 N N -0.368 118.273 118.700 -0.098 0.000 2.653 419 N HA 0.750 5.488 4.740 -0.004 0.000 0.294 419 N C 0.295 175.745 175.510 -0.100 0.000 1.305 419 N CA 0.195 53.189 53.050 -0.093 0.000 0.827 419 N CB 1.695 40.149 38.487 -0.055 0.000 1.415 419 N HN 1.243 nan 8.380 nan 0.000 0.546 420 G N -0.566 108.189 108.800 -0.074 0.000 2.766 420 G HA2 0.204 4.161 3.960 -0.004 0.000 0.288 420 G HA3 0.204 4.161 3.960 -0.004 0.000 0.288 420 G C -1.040 173.840 174.900 -0.034 0.000 1.408 420 G CA -0.558 44.507 45.100 -0.058 0.000 0.852 420 G HN 0.471 nan 8.290 nan 0.000 0.487 421 N N 0.024 118.710 118.700 -0.023 0.000 2.410 421 N HA 0.059 4.797 4.740 -0.004 0.000 0.281 421 N C 1.282 176.785 175.510 -0.012 0.000 1.241 421 N CA 0.077 53.118 53.050 -0.015 0.000 0.998 421 N CB 0.912 39.394 38.487 -0.009 0.000 1.376 421 N HN 0.581 nan 8.380 nan 0.000 0.490 422 E N 3.454 123.646 120.200 -0.012 0.000 2.068 422 E HA -0.287 4.061 4.350 -0.004 0.000 0.207 422 E C 1.567 178.164 176.600 -0.005 0.000 1.032 422 E CA 2.193 58.587 56.400 -0.009 0.000 0.839 422 E CB -0.368 29.326 29.700 -0.009 0.000 0.758 422 E HN 0.699 nan 8.360 nan 0.000 0.457 423 A N -0.061 122.757 122.820 -0.005 0.000 2.076 423 A HA -0.075 4.243 4.320 -0.004 0.000 0.220 423 A C 2.235 179.819 177.584 -0.000 0.000 1.160 423 A CA 2.143 54.179 52.037 -0.002 0.000 0.653 423 A CB -0.731 18.268 19.000 -0.002 0.000 0.801 423 A HN 0.406 nan 8.150 nan 0.000 0.455 424 A N 0.032 122.852 122.820 -0.001 0.000 1.862 424 A HA 0.136 4.454 4.320 -0.004 0.000 0.211 424 A C 1.987 179.572 177.584 0.002 0.000 1.220 424 A CA 0.966 53.004 52.037 0.002 0.000 0.616 424 A CB -0.578 18.423 19.000 0.001 0.000 0.878 424 A HN 0.403 nan 8.150 nan 0.000 0.453 425 I N 0.316 120.885 120.570 -0.001 0.000 2.185 425 I HA -0.332 3.835 4.170 -0.004 0.000 0.246 425 I C 2.358 178.476 176.117 0.002 0.000 1.088 425 I CA 1.874 63.173 61.300 -0.002 0.000 1.347 425 I CB -0.489 37.508 38.000 -0.004 0.000 1.041 425 I HN 0.440 nan 8.210 nan 0.000 0.415 426 E N 0.715 120.916 120.200 0.003 0.000 2.216 426 E HA -0.078 4.270 4.350 -0.004 0.000 0.192 426 E C 2.338 178.942 176.600 0.007 0.000 0.988 426 E CA 0.988 57.391 56.400 0.005 0.000 0.834 426 E CB -0.066 29.636 29.700 0.003 0.000 0.772 426 E HN 0.531 nan 8.360 nan 0.000 0.479 427 A N 1.375 124.199 122.820 0.007 0.000 2.015 427 A HA -0.177 4.141 4.320 -0.004 0.000 0.219 427 A C 2.106 179.698 177.584 0.015 0.000 1.163 427 A CA 0.875 52.917 52.037 0.009 0.000 0.646 427 A CB -0.156 18.849 19.000 0.009 0.000 0.806 427 A HN 0.098 nan 8.150 nan 0.000 0.448 428 Q N -0.374 119.436 119.800 0.017 0.000 1.975 428 Q HA -0.192 4.146 4.340 -0.004 0.000 0.205 428 Q C 2.512 178.529 176.000 0.028 0.000 0.990 428 Q CA 1.769 57.588 55.803 0.027 0.000 0.845 428 Q CB -0.696 28.053 28.738 0.018 0.000 0.913 428 Q HN 0.628 nan 8.270 nan 0.000 0.420 429 A N 1.048 123.880 122.820 0.020 0.000 2.032 429 A HA -0.171 4.147 4.320 -0.004 0.000 0.221 429 A C 2.262 179.855 177.584 0.015 0.000 1.165 429 A CA 1.927 53.974 52.037 0.018 0.000 0.645 429 A CB -0.604 18.405 19.000 0.015 0.000 0.807 429 A HN 0.423 nan 8.150 nan 0.000 0.453 430 A N -0.706 122.122 122.820 0.013 0.000 1.930 430 A HA 0.178 4.496 4.320 -0.004 0.000 0.217 430 A C 2.358 179.947 177.584 0.009 0.000 1.175 430 A CA 1.784 53.826 52.037 0.009 0.000 0.627 430 A CB -1.151 17.853 19.000 0.007 0.000 0.815 430 A HN 0.691 nan 8.150 nan 0.000 0.443 431 G N -0.556 108.253 108.800 0.015 0.000 2.403 431 G HA2 -0.006 3.952 3.960 -0.004 0.000 0.216 431 G HA3 -0.006 3.952 3.960 -0.004 0.000 0.216 431 G C 1.485 176.394 174.900 0.016 0.000 1.154 431 G CA 1.060 46.170 45.100 0.016 0.000 0.784 431 G HN 0.280 nan 8.290 nan 0.000 0.538 432 V N 1.092 121.021 119.914 0.025 0.000 2.231 432 V HA -0.284 3.833 4.120 -0.004 0.000 0.248 432 V C 2.608 178.704 176.094 0.003 0.000 1.054 432 V CA 2.559 64.873 62.300 0.023 0.000 1.015 432 V CB -0.623 31.217 31.823 0.029 0.000 0.638 432 V HN 0.628 nan 8.190 nan 0.000 0.444 433 E N -0.112 120.088 120.200 -0.001 0.000 2.047 433 E HA -0.327 4.021 4.350 -0.004 0.000 0.191 433 E C 2.272 178.862 176.600 -0.017 0.000 0.987 433 E CA 1.587 57.979 56.400 -0.012 0.000 0.799 433 E CB -0.206 29.489 29.700 -0.008 0.000 0.752 433 E HN 0.574 nan 8.360 nan 0.000 0.449 434 Q N 1.021 120.815 119.800 -0.011 0.000 2.112 434 Q HA -0.222 4.116 4.340 -0.004 0.000 0.206 434 Q C 2.220 178.208 176.000 -0.021 0.000 0.987 434 Q CA 1.846 57.641 55.803 -0.014 0.000 0.858 434 Q CB -0.319 28.414 28.738 -0.009 0.000 0.905 434 Q HN 0.095 nan 8.270 nan 0.000 0.420 435 R N 0.009 120.499 120.500 -0.017 0.000 2.073 435 R HA -0.129 4.208 4.340 -0.004 0.000 0.234 435 R C 2.177 178.456 176.300 -0.036 0.000 1.134 435 R CA 1.565 57.651 56.100 -0.022 0.000 0.952 435 R CB -1.082 29.211 30.300 -0.011 0.000 0.850 435 R HN 0.479 nan 8.270 nan 0.000 0.433 436 L N 1.723 122.922 121.223 -0.040 0.000 2.081 436 L HA -0.172 4.166 4.340 -0.004 0.000 0.212 436 L C 2.251 179.080 176.870 -0.068 0.000 1.080 436 L CA 2.005 56.807 54.840 -0.063 0.000 0.754 436 L CB -0.495 41.521 42.059 -0.071 0.000 0.893 436 L HN 0.107 nan 8.230 nan 0.000 0.433 437 K N -0.900 119.469 120.400 -0.053 0.000 2.103 437 K HA -0.147 4.170 4.320 -0.004 0.000 0.204 437 K C 1.755 178.322 176.600 -0.055 0.000 1.052 437 K CA 1.291 57.548 56.287 -0.051 0.000 0.945 437 K CB -0.079 32.398 32.500 -0.037 0.000 0.722 437 K HN 0.419 nan 8.250 nan 0.000 0.443 438 D N 1.014 121.384 120.400 -0.051 0.000 2.116 438 D HA -0.208 4.430 4.640 -0.004 0.000 0.193 438 D C 1.852 178.105 176.300 -0.077 0.000 0.998 438 D CA 1.047 55.014 54.000 -0.056 0.000 0.836 438 D CB -0.153 40.618 40.800 -0.049 0.000 0.951 438 D HN 0.150 nan 8.370 nan 0.000 0.449 439 L N 0.770 121.940 121.223 -0.089 0.000 2.093 439 L HA -0.101 4.237 4.340 -0.004 0.000 0.208 439 L C 2.181 178.981 176.870 -0.117 0.000 1.085 439 L CA 1.193 55.959 54.840 -0.123 0.000 0.755 439 L CB -0.346 41.639 42.059 -0.122 0.000 0.904 439 L HN -0.150 nan 8.230 nan 0.000 0.435 440 V N 0.192 120.048 119.914 -0.097 0.000 2.453 440 V HA -0.183 3.934 4.120 -0.004 0.000 0.247 440 V C 2.116 178.167 176.094 -0.073 0.000 1.048 440 V CA 1.781 64.027 62.300 -0.089 0.000 1.049 440 V CB -0.785 30.989 31.823 -0.081 0.000 0.672 440 V HN 0.528 nan 8.190 nan 0.000 0.457 441 N N -0.155 118.506 118.700 -0.065 0.000 2.424 441 N HA -0.031 4.707 4.740 -0.004 0.000 0.178 441 N C 1.133 176.609 175.510 -0.057 0.000 1.060 441 N CA 0.074 53.092 53.050 -0.053 0.000 0.901 441 N CB 0.035 38.496 38.487 -0.043 0.000 0.979 441 N HN 0.596 nan 8.380 nan 0.000 0.451 442 Q N 1.745 121.500 119.800 -0.075 0.000 2.286 442 Q HA -0.040 4.298 4.340 -0.004 0.000 0.290 442 Q C -0.975 174.980 176.000 -0.076 0.000 1.049 442 Q CA 0.580 56.332 55.803 -0.086 0.000 0.923 442 Q CB 0.521 29.182 28.738 -0.129 0.000 1.183 442 Q HN 0.080 nan 8.270 nan 0.000 0.383 443 D N 1.808 122.171 120.400 -0.061 0.000 2.414 443 D HA 0.712 5.350 4.640 -0.004 0.000 0.241 443 D C 0.057 176.331 176.300 -0.043 0.000 1.008 443 D CA 0.194 54.168 54.000 -0.045 0.000 1.001 443 D CB 1.716 42.498 40.800 -0.030 0.000 1.277 443 D HN 0.560 nan 8.370 nan 0.000 0.538 444 G N -1.032 107.753 108.800 -0.025 0.000 4.264 444 G HA2 0.368 4.326 3.960 -0.004 0.000 0.204 444 G HA3 0.368 4.326 3.960 -0.004 0.000 0.204 444 G C 0.870 175.771 174.900 0.002 0.000 1.003 444 G CA 0.346 45.437 45.100 -0.015 0.000 0.998 444 G HN 1.472 nan 8.290 nan 0.000 0.361 445 G N -0.038 108.768 108.800 0.011 0.000 2.201 445 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.212 445 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.212 445 G C -0.041 174.878 174.900 0.032 0.000 0.994 445 G CA 0.503 45.615 45.100 0.020 0.000 0.644 445 G HN 0.640 nan 8.290 nan 0.000 0.508 446 E N 0.533 120.757 120.200 0.041 0.000 2.216 446 E HA 0.402 4.750 4.350 -0.004 0.000 0.279 446 E C -0.286 176.369 176.600 0.092 0.000 0.997 446 E CA -0.797 55.636 56.400 0.056 0.000 0.817 446 E CB 1.112 30.846 29.700 0.057 0.000 1.096 446 E HN 0.206 nan 8.360 nan 0.000 0.393 447 N N 3.029 121.781 118.700 0.086 0.000 2.497 447 N HA -0.034 4.704 4.740 -0.004 0.000 0.271 447 N C 0.946 176.542 175.510 0.142 0.000 1.142 447 N CA -0.405 52.720 53.050 0.124 0.000 0.965 447 N CB 0.472 38.992 38.487 0.055 0.000 1.077 447 N HN 0.647 nan 8.380 nan 0.000 0.462 448 W N 4.186 125.535 121.300 0.083 0.000 2.338 448 W HA -0.156 4.502 4.660 -0.003 0.000 0.304 448 W C 0.994 177.559 176.519 0.077 0.000 1.212 448 W CA 1.230 58.646 57.345 0.118 0.000 1.264 448 W CB -1.408 28.142 29.460 0.149 0.000 1.142 448 W HN 0.565 nan 8.180 nan 0.000 0.512 449 A N 2.086 124.200 122.820 -1.177 0.000 1.883 449 A HA -0.224 4.094 4.320 -0.004 0.000 0.217 449 A C 2.070 179.331 177.584 -0.538 0.000 1.186 449 A CA 2.277 53.588 52.037 -1.210 0.000 0.624 449 A CB -0.760 17.738 19.000 -0.838 0.000 0.822 449 A HN 0.144 nan 8.150 nan 0.000 0.444 450 K N -0.234 119.990 120.400 -0.293 0.000 2.209 450 K HA 0.012 4.329 4.320 -0.004 0.000 0.204 450 K C 1.724 178.240 176.600 -0.141 0.000 1.048 450 K CA 0.953 57.138 56.287 -0.171 0.000 0.940 450 K CB -0.516 31.930 32.500 -0.089 0.000 0.729 450 K HN 0.648 nan 8.250 nan 0.000 0.451 451 I N 0.348 120.844 120.570 -0.122 0.000 2.333 451 I HA -0.186 3.982 4.170 -0.004 0.000 0.246 451 I C 2.756 178.799 176.117 -0.124 0.000 1.106 451 I CA 0.653 61.914 61.300 -0.064 0.000 1.411 451 I CB -0.185 37.841 38.000 0.043 0.000 1.082 451 I HN 0.141 nan 8.210 nan 0.000 0.420 452 R N 1.191 121.563 120.500 -0.212 0.000 2.094 452 R HA -0.237 4.101 4.340 -0.004 0.000 0.239 452 R C 1.873 178.042 176.300 -0.219 0.000 1.137 452 R CA 2.397 58.350 56.100 -0.245 0.000 0.943 452 R CB -0.308 29.707 30.300 -0.475 0.000 0.850 452 R HN 0.321 nan 8.270 nan 0.000 0.433 453 D N 0.367 120.627 120.400 -0.233 0.000 2.088 453 D HA -0.189 4.449 4.640 -0.004 0.000 0.191 453 D C 1.856 178.062 176.300 -0.157 0.000 0.992 453 D CA 1.591 55.475 54.000 -0.193 0.000 0.831 453 D CB -0.477 40.221 40.800 -0.171 0.000 0.973 453 D HN 0.412 nan 8.370 nan 0.000 0.447 454 E N 0.158 120.282 120.200 -0.127 0.000 2.130 454 E HA -0.202 4.145 4.350 -0.004 0.000 0.196 454 E C 2.083 178.620 176.600 -0.104 0.000 0.998 454 E CA 0.790 57.131 56.400 -0.097 0.000 0.806 454 E CB -0.170 29.488 29.700 -0.070 0.000 0.738 454 E HN 0.265 nan 8.360 nan 0.000 0.459 455 M N 0.137 119.666 119.600 -0.119 0.000 2.086 455 M HA -0.130 4.347 4.480 -0.004 0.000 0.261 455 M C 2.216 178.417 176.300 -0.164 0.000 1.067 455 M CA 2.159 57.380 55.300 -0.131 0.000 1.116 455 M CB -0.280 32.237 32.600 -0.138 0.000 1.348 455 M HN 0.171 nan 8.290 nan 0.000 0.407 456 G N 0.563 109.259 108.800 -0.174 0.000 2.418 456 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.217 456 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.217 456 G C 1.431 176.229 174.900 -0.170 0.000 1.158 456 G CA 0.682 45.666 45.100 -0.192 0.000 0.771 456 G HN 0.468 nan 8.290 nan 0.000 0.545 457 L N 0.587 121.718 121.223 -0.154 0.000 2.131 457 L HA -0.031 4.307 4.340 -0.004 0.000 0.210 457 L C 3.351 180.184 176.870 -0.062 0.000 1.092 457 L CA 0.891 55.663 54.840 -0.113 0.000 0.759 457 L CB -0.284 41.718 42.059 -0.096 0.000 0.903 457 L HN 0.316 nan 8.230 nan 0.000 0.435 458 A N -0.309 122.465 122.820 -0.077 0.000 1.841 458 A HA -0.200 4.118 4.320 -0.004 0.000 0.214 458 A C 2.258 179.809 177.584 -0.055 0.000 1.195 458 A CA 1.403 53.406 52.037 -0.056 0.000 0.611 458 A CB -0.424 18.534 19.000 -0.070 0.000 0.835 458 A HN 0.227 nan 8.150 nan 0.000 0.443 459 M N -0.520 118.992 119.600 -0.146 0.000 2.144 459 M HA -0.164 4.313 4.480 -0.004 0.000 0.260 459 M C 1.924 178.260 176.300 0.060 0.000 1.067 459 M CA 1.958 57.118 55.300 -0.232 0.000 1.095 459 M CB -1.299 30.844 32.600 -0.762 0.000 1.365 459 M HN 0.608 nan 8.290 nan 0.000 0.406 460 E N 0.523 120.813 120.200 0.149 0.000 2.028 460 E HA -0.172 4.176 4.350 -0.004 0.000 0.191 460 E C 1.916 178.655 176.600 0.232 0.000 0.988 460 E CA 1.745 58.335 56.400 0.317 0.000 0.799 460 E CB -0.165 29.662 29.700 0.210 0.000 0.755 460 E HN 0.561 nan 8.360 nan 0.000 0.447 461 E N -1.132 119.148 120.200 0.134 0.000 2.028 461 E HA -0.115 4.233 4.350 -0.004 0.000 0.191 461 E C 1.898 178.577 176.600 0.133 0.000 0.988 461 E CA 1.302 57.777 56.400 0.125 0.000 0.799 461 E CB -0.434 29.309 29.700 0.072 0.000 0.755 461 E HN 0.352 nan 8.360 nan 0.000 0.447 462 G N -0.769 108.089 108.800 0.095 0.000 2.539 462 G HA2 -0.101 3.857 3.960 -0.004 0.000 0.215 462 G HA3 -0.101 3.857 3.960 -0.004 0.000 0.215 462 G C 0.861 175.821 174.900 0.100 0.000 1.141 462 G CA 0.477 45.625 45.100 0.080 0.000 0.806 462 G HN 0.336 nan 8.290 nan 0.000 0.533 463 C N 1.777 121.167 119.300 0.150 0.000 2.624 463 C HA 0.600 5.057 4.460 -0.004 0.000 0.263 463 C C 1.595 176.769 174.990 0.307 0.000 1.587 463 C CA -1.090 58.053 59.018 0.208 0.000 1.718 463 C CB -0.599 27.262 27.740 0.203 0.000 3.050 463 C HN 0.398 nan 8.230 nan 0.000 0.517 464 G N 1.123 110.034 108.800 0.184 0.000 2.546 464 G HA2 0.329 4.287 3.960 -0.004 0.000 0.239 464 G HA3 0.329 4.287 3.960 -0.004 0.000 0.239 464 G C 1.174 175.937 174.900 -0.228 0.000 1.476 464 G CA -0.203 44.930 45.100 0.055 0.000 1.064 464 G HN 0.225 nan 8.290 nan 0.000 0.561 465 I N -2.098 118.127 120.570 -0.575 0.000 2.315 465 I HA 0.062 4.230 4.170 -0.004 0.000 0.248 465 I C 0.368 176.018 176.117 -0.778 0.000 1.117 465 I CA 0.984 61.822 61.300 -0.769 0.000 1.404 465 I CB -1.425 36.037 38.000 -0.898 0.000 1.071 465 I HN 0.184 nan 8.210 nan 0.000 0.419 466 Y N 1.128 121.027 120.300 -0.668 0.000 2.361 466 Y HA 0.616 5.164 4.550 -0.004 0.000 0.337 466 Y C 0.097 175.777 175.900 -0.367 0.000 0.965 466 Y CA -0.944 56.800 58.100 -0.593 0.000 1.091 466 Y CB 1.648 39.571 38.460 -0.894 0.000 1.182 466 Y HN -0.084 nan 8.280 nan 0.000 0.450 467 R N 0.937 121.390 120.500 -0.077 0.000 2.711 467 R HA 0.668 5.006 4.340 -0.004 0.000 0.284 467 R C -0.828 175.446 176.300 -0.044 0.000 0.968 467 R CA -0.848 55.224 56.100 -0.046 0.000 0.924 467 R CB 1.906 32.184 30.300 -0.037 0.000 1.162 467 R HN 0.632 nan 8.270 nan 0.000 0.465 468 T N -1.390 113.161 114.554 -0.006 0.000 2.861 468 T HA 0.357 4.705 4.350 -0.004 0.000 0.287 468 T C -2.261 172.444 174.700 0.007 0.000 1.003 468 T CA -2.345 59.753 62.100 -0.004 0.000 0.977 468 T CB 2.103 70.980 68.868 0.015 0.000 0.996 468 T HN 0.193 nan 8.240 nan 0.000 0.448 469 P HA -0.161 nan 4.420 nan 0.000 0.217 469 P C 1.449 178.753 177.300 0.007 0.000 1.148 469 P CA 0.859 63.962 63.100 0.005 0.000 0.834 469 P CB 0.227 31.929 31.700 0.004 0.000 0.783 470 E N -0.384 119.824 120.200 0.013 0.000 2.047 470 E HA -0.143 4.204 4.350 -0.004 0.000 0.191 470 E C 1.893 178.505 176.600 0.020 0.000 0.987 470 E CA 1.129 57.539 56.400 0.016 0.000 0.799 470 E CB -0.473 29.240 29.700 0.022 0.000 0.752 470 E HN 0.228 nan 8.360 nan 0.000 0.449 471 L N 0.022 121.264 121.223 0.031 0.000 2.095 471 L HA -0.085 4.253 4.340 -0.004 0.000 0.204 471 L C 2.818 179.704 176.870 0.028 0.000 1.080 471 L CA 0.494 55.358 54.840 0.039 0.000 0.759 471 L CB -0.306 41.792 42.059 0.066 0.000 0.914 471 L HN 0.167 nan 8.230 nan 0.000 0.439 472 M N -0.583 119.031 119.600 0.023 0.000 2.082 472 M HA -0.302 4.176 4.480 -0.004 0.000 0.258 472 M C 2.359 178.648 176.300 -0.018 0.000 1.069 472 M CA 1.880 57.187 55.300 0.012 0.000 1.102 472 M CB -0.479 32.129 32.600 0.013 0.000 1.336 472 M HN 0.225 nan 8.290 nan 0.000 0.404 473 Q N 0.904 120.691 119.800 -0.022 0.000 2.119 473 Q HA -0.164 4.174 4.340 -0.004 0.000 0.201 473 Q C 1.807 177.795 176.000 -0.020 0.000 0.972 473 Q CA 1.794 57.575 55.803 -0.037 0.000 0.847 473 Q CB -0.243 28.480 28.738 -0.026 0.000 0.903 473 Q HN 0.409 nan 8.270 nan 0.000 0.433 474 K N -1.235 119.163 120.400 -0.003 0.000 2.152 474 K HA -0.131 4.187 4.320 -0.004 0.000 0.206 474 K C 1.699 178.299 176.600 -0.000 0.000 1.048 474 K CA 1.703 57.993 56.287 0.004 0.000 0.933 474 K CB -0.150 32.360 32.500 0.016 0.000 0.721 474 K HN 0.220 nan 8.250 nan 0.000 0.447 475 T N 0.912 115.464 114.554 -0.003 0.000 2.851 475 T HA 0.038 4.386 4.350 -0.004 0.000 0.262 475 T C 1.702 176.396 174.700 -0.011 0.000 1.043 475 T CA 0.992 63.087 62.100 -0.010 0.000 1.140 475 T CB -0.030 68.832 68.868 -0.009 0.000 0.872 475 T HN 0.169 nan 8.240 nan 0.000 0.446 476 I N 1.308 121.865 120.570 -0.021 0.000 2.361 476 I HA -0.161 4.007 4.170 -0.004 0.000 0.251 476 I C 1.925 178.052 176.117 0.016 0.000 1.133 476 I CA 1.104 62.398 61.300 -0.010 0.000 1.413 476 I CB -0.240 37.681 38.000 -0.131 0.000 1.073 476 I HN 0.125 nan 8.210 nan 0.000 0.424 477 D N 0.443 120.843 120.400 0.001 0.000 2.269 477 D HA -0.148 4.490 4.640 -0.004 0.000 0.208 477 D C 2.034 178.341 176.300 0.013 0.000 0.963 477 D CA 0.909 54.916 54.000 0.011 0.000 0.864 477 D CB 0.045 40.848 40.800 0.005 0.000 0.936 477 D HN 0.102 nan 8.370 nan 0.000 0.505 478 K N 0.131 120.534 120.400 0.005 0.000 2.166 478 K HA 0.157 4.475 4.320 -0.004 0.000 0.201 478 K C 1.987 178.586 176.600 -0.002 0.000 1.052 478 K CA 0.311 56.597 56.287 -0.001 0.000 0.969 478 K CB -0.135 32.357 32.500 -0.013 0.000 0.761 478 K HN 0.044 nan 8.250 nan 0.000 0.459 479 L N 0.122 121.345 121.223 -0.000 0.000 2.046 479 L HA -0.128 4.209 4.340 -0.004 0.000 0.208 479 L C 2.359 179.237 176.870 0.013 0.000 1.077 479 L CA 1.379 56.216 54.840 -0.004 0.000 0.747 479 L CB -0.651 41.411 42.059 0.006 0.000 0.896 479 L HN 0.228 nan 8.230 nan 0.000 0.432 480 A N -0.193 122.648 122.820 0.035 0.000 1.877 480 A HA -0.264 4.054 4.320 -0.004 0.000 0.216 480 A C 2.303 179.907 177.584 0.034 0.000 1.186 480 A CA 1.900 53.962 52.037 0.040 0.000 0.620 480 A CB -0.558 18.474 19.000 0.053 0.000 0.822 480 A HN 0.480 nan 8.150 nan 0.000 0.443 481 E N -0.022 120.196 120.200 0.029 0.000 2.110 481 E HA -0.130 4.217 4.350 -0.004 0.000 0.193 481 E C 1.664 178.286 176.600 0.037 0.000 0.988 481 E CA 0.885 57.302 56.400 0.029 0.000 0.804 481 E CB -0.193 29.519 29.700 0.020 0.000 0.745 481 E HN 0.618 nan 8.360 nan 0.000 0.458 482 L N 0.902 122.141 121.223 0.027 0.000 2.622 482 L HA -0.092 4.246 4.340 -0.004 0.000 0.233 482 L C 2.323 179.237 176.870 0.072 0.000 1.156 482 L CA 0.283 55.144 54.840 0.034 0.000 0.866 482 L CB -0.083 41.972 42.059 -0.007 0.000 0.980 482 L HN 0.167 nan 8.230 nan 0.000 0.448 483 Q N -0.407 119.438 119.800 0.075 0.000 2.259 483 Q HA -0.134 4.204 4.340 -0.004 0.000 0.201 483 Q C 1.804 177.899 176.000 0.158 0.000 0.938 483 Q CA 0.758 56.635 55.803 0.123 0.000 0.872 483 Q CB 0.293 29.075 28.738 0.074 0.000 0.971 483 Q HN 0.546 nan 8.270 nan 0.000 0.494 484 E N 0.584 120.843 120.200 0.098 0.000 2.358 484 E HA -0.087 4.261 4.350 -0.004 0.000 0.195 484 E C 1.711 178.359 176.600 0.080 0.000 1.010 484 E CA 0.239 56.683 56.400 0.074 0.000 0.856 484 E CB 0.340 30.068 29.700 0.047 0.000 0.795 484 E HN 0.050 nan 8.360 nan 0.000 0.504 485 R N -0.225 120.338 120.500 0.106 0.000 2.127 485 R HA -0.041 4.296 4.340 -0.004 0.000 0.217 485 R C 2.027 178.426 176.300 0.165 0.000 1.074 485 R CA 0.540 56.704 56.100 0.106 0.000 0.991 485 R CB -0.555 29.802 30.300 0.095 0.000 0.895 485 R HN 0.252 nan 8.270 nan 0.000 0.450 486 F N 2.447 122.415 119.950 0.031 0.000 2.293 486 F HA -0.050 4.474 4.527 -0.004 0.000 0.300 486 F C 1.506 177.328 175.800 0.036 0.000 1.086 486 F CA 1.256 59.283 58.000 0.045 0.000 1.375 486 F CB 0.090 39.117 39.000 0.045 0.000 1.045 486 F HN -0.169 nan 8.300 nan 0.000 0.516 487 K N -0.080 120.281 120.400 -0.066 0.000 2.487 487 K HA 0.088 4.405 4.320 -0.004 0.000 0.192 487 K C 0.797 177.325 176.600 -0.121 0.000 1.027 487 K CA 0.231 56.416 56.287 -0.170 0.000 1.054 487 K CB 0.109 32.573 32.500 -0.060 0.000 0.824 487 K HN 0.222 nan 8.250 nan 0.000 0.510 488 R N 0.976 121.437 120.500 -0.065 0.000 2.700 488 R HA 0.189 4.527 4.340 -0.004 0.000 0.377 488 R C -0.766 175.519 176.300 -0.025 0.000 1.130 488 R CA -0.140 55.938 56.100 -0.035 0.000 1.055 488 R CB 0.910 31.210 30.300 0.000 0.000 1.387 488 R HN -0.130 nan 8.270 nan 0.000 0.580 489 V N 1.580 121.452 119.914 -0.070 0.000 2.435 489 V HA 0.315 4.433 4.120 -0.004 0.000 0.290 489 V C -0.096 175.974 176.094 -0.041 0.000 1.030 489 V CA -0.916 61.373 62.300 -0.017 0.000 0.881 489 V CB 1.851 33.695 31.823 0.035 0.000 0.983 489 V HN 0.157 nan 8.190 nan 0.000 0.445 490 R N 4.913 125.416 120.500 0.004 0.000 2.294 490 R HA 0.489 4.827 4.340 -0.004 0.000 0.319 490 R C -0.571 175.733 176.300 0.006 0.000 0.984 490 R CA -0.279 55.816 56.100 -0.008 0.000 0.861 490 R CB 0.613 30.915 30.300 0.003 0.000 1.104 490 R HN 0.695 nan 8.270 nan 0.000 0.451 491 I N 5.666 126.218 120.570 -0.030 0.000 2.191 491 I HA 0.058 4.226 4.170 -0.004 0.000 0.289 491 I C 0.603 176.699 176.117 -0.035 0.000 1.141 491 I CA -0.210 61.063 61.300 -0.045 0.000 1.430 491 I CB 0.316 38.259 38.000 -0.094 0.000 1.497 491 I HN 0.780 nan 8.210 nan 0.000 0.636 492 T N 0.902 115.453 114.554 -0.004 0.000 2.836 492 T HA -0.244 4.103 4.350 -0.004 0.000 0.268 492 T C 0.768 175.460 174.700 -0.013 0.000 1.080 492 T CA 1.399 63.498 62.100 -0.000 0.000 1.128 492 T CB -0.432 68.449 68.868 0.023 0.000 0.839 492 T HN 0.491 nan 8.240 nan 0.000 0.507 493 D N 1.850 122.232 120.400 -0.030 0.000 2.393 493 D HA 0.165 4.803 4.640 -0.004 0.000 0.232 493 D C 0.818 177.086 176.300 -0.053 0.000 1.192 493 D CA -0.116 53.861 54.000 -0.039 0.000 0.882 493 D CB 0.551 41.318 40.800 -0.056 0.000 1.038 493 D HN 0.178 nan 8.370 nan 0.000 0.499 494 T N -0.145 114.386 114.554 -0.038 0.000 3.273 494 T HA 0.225 4.573 4.350 -0.004 0.000 0.254 494 T C 0.766 175.445 174.700 -0.035 0.000 1.002 494 T CA -0.637 61.439 62.100 -0.040 0.000 0.913 494 T CB -0.044 68.806 68.868 -0.029 0.000 1.056 494 T HN 0.093 nan 8.240 nan 0.000 0.576 495 S N 0.959 116.637 115.700 -0.036 0.000 2.549 495 S HA 0.463 4.931 4.470 -0.004 0.000 0.260 495 S C 0.991 175.572 174.600 -0.031 0.000 1.217 495 S CA -0.784 57.401 58.200 -0.025 0.000 1.001 495 S CB 0.600 63.789 63.200 -0.018 0.000 1.059 495 S HN 0.443 nan 8.310 nan 0.000 0.537 496 S N -1.105 114.585 115.700 -0.017 0.000 2.456 496 S HA 0.153 4.621 4.470 -0.004 0.000 0.282 496 S C -0.480 174.122 174.600 0.005 0.000 1.057 496 S CA -0.307 57.883 58.200 -0.017 0.000 1.321 496 S CB 0.556 63.752 63.200 -0.007 0.000 1.117 496 S HN 0.361 nan 8.310 nan 0.000 0.584 497 V N 3.390 123.321 119.914 0.030 0.000 2.368 497 V HA 0.401 4.518 4.120 -0.004 0.000 0.266 497 V C 0.108 176.291 176.094 0.148 0.000 1.045 497 V CA -0.411 61.936 62.300 0.079 0.000 0.899 497 V CB -0.597 31.267 31.823 0.068 0.000 1.006 497 V HN 0.537 nan 8.190 nan 0.000 0.470 498 F N 3.881 123.810 119.950 -0.034 0.000 2.694 498 F HA -0.266 4.259 4.527 -0.004 0.000 0.215 498 F C 0.858 176.612 175.800 -0.077 0.000 1.032 498 F CA 1.037 59.010 58.000 -0.045 0.000 0.871 498 F CB -0.469 38.516 39.000 -0.025 0.000 0.776 498 F HN 0.755 nan 8.300 nan 0.000 0.850 499 N N 0.989 119.609 118.700 -0.132 0.000 2.439 499 N HA 0.152 4.890 4.740 -0.004 0.000 0.243 499 N C 1.329 176.629 175.510 -0.350 0.000 1.088 499 N CA 0.398 53.342 53.050 -0.176 0.000 0.940 499 N CB 0.604 38.999 38.487 -0.154 0.000 1.180 499 N HN 0.403 nan 8.380 nan 0.000 0.505 500 T N 0.021 114.330 114.554 -0.409 0.000 3.014 500 T HA -0.118 4.230 4.350 -0.004 0.000 0.263 500 T C 1.330 175.467 174.700 -0.937 0.000 1.078 500 T CA 0.757 62.389 62.100 -0.780 0.000 1.135 500 T CB -0.109 68.224 68.868 -0.891 0.000 0.895 500 T HN 0.477 nan 8.240 nan 0.000 0.480 501 D N 1.101 121.174 120.400 -0.545 0.000 2.149 501 D HA -0.104 4.534 4.640 -0.004 0.000 0.198 501 D C 1.873 177.885 176.300 -0.480 0.000 0.990 501 D CA 0.830 54.560 54.000 -0.450 0.000 0.839 501 D CB -0.389 40.281 40.800 -0.218 0.000 0.948 501 D HN 0.341 nan 8.370 nan 0.000 0.460 502 L N -0.083 120.904 121.223 -0.393 0.000 2.044 502 L HA 0.022 4.360 4.340 -0.004 0.000 0.205 502 L C 2.066 178.695 176.870 -0.401 0.000 1.075 502 L CA 1.347 55.981 54.840 -0.343 0.000 0.747 502 L CB -0.411 41.476 42.059 -0.286 0.000 0.903 502 L HN 0.149 nan 8.230 nan 0.000 0.435 503 L N -1.670 119.283 121.223 -0.450 0.000 2.046 503 L HA -0.244 4.094 4.340 -0.004 0.000 0.208 503 L C 2.520 179.324 176.870 -0.110 0.000 1.077 503 L CA 1.629 56.260 54.840 -0.348 0.000 0.747 503 L CB -0.966 40.988 42.059 -0.175 0.000 0.896 503 L HN 0.310 nan 8.230 nan 0.000 0.432 504 Y N 0.111 120.193 120.300 -0.364 0.000 2.200 504 Y HA -0.219 4.329 4.550 -0.004 0.000 0.290 504 Y C 2.904 178.410 175.900 -0.656 0.000 1.137 504 Y CA 0.938 58.699 58.100 -0.566 0.000 1.163 504 Y CB -0.548 37.283 38.460 -1.049 0.000 0.988 504 Y HN 0.190 nan 8.280 nan 0.000 0.518 505 T N 0.636 114.865 114.554 -0.541 0.000 2.833 505 T HA -0.164 4.184 4.350 -0.004 0.000 0.269 505 T C 1.753 176.506 174.700 0.088 0.000 1.054 505 T CA 1.255 63.252 62.100 -0.171 0.000 1.135 505 T CB -0.352 68.441 68.868 -0.125 0.000 0.869 505 T HN 0.292 nan 8.240 nan 0.000 0.466 506 I N 0.933 121.473 120.570 -0.050 0.000 2.252 506 I HA -0.123 4.044 4.170 -0.004 0.000 0.245 506 I C 2.633 178.734 176.117 -0.026 0.000 1.102 506 I CA 1.280 62.563 61.300 -0.029 0.000 1.385 506 I CB -0.338 37.489 38.000 -0.288 0.000 1.064 506 I HN 0.294 nan 8.210 nan 0.000 0.414 507 E N 0.590 120.798 120.200 0.014 0.000 2.077 507 E HA -0.263 4.085 4.350 -0.004 0.000 0.193 507 E C 2.103 178.724 176.600 0.035 0.000 0.989 507 E CA 1.098 57.509 56.400 0.019 0.000 0.800 507 E CB -0.215 29.547 29.700 0.103 0.000 0.746 507 E HN 0.258 nan 8.360 nan 0.000 0.452 508 L N 1.148 122.421 121.223 0.084 0.000 2.013 508 L HA -0.141 4.196 4.340 -0.004 0.000 0.212 508 L C 2.143 178.864 176.870 -0.248 0.000 1.073 508 L CA 2.445 57.310 54.840 0.042 0.000 0.753 508 L CB -1.155 41.056 42.059 0.254 0.000 0.890 508 L HN 0.112 nan 8.230 nan 0.000 0.432 509 G N -1.653 106.937 108.800 -0.351 0.000 2.446 509 G HA2 -0.288 3.669 3.960 -0.004 0.000 0.217 509 G HA3 -0.288 3.669 3.960 -0.004 0.000 0.217 509 G C 1.520 176.377 174.900 -0.071 0.000 1.168 509 G CA 0.981 45.783 45.100 -0.497 0.000 0.771 509 G HN 0.672 nan 8.290 nan 0.000 0.551 510 H N 0.247 119.259 119.070 -0.096 0.000 2.422 510 H HA -0.076 4.477 4.556 -0.004 0.000 0.298 510 H C 2.877 178.146 175.328 -0.098 0.000 1.098 510 H CA 0.456 56.466 56.048 -0.064 0.000 1.315 510 H CB 0.043 29.799 29.762 -0.010 0.000 1.382 510 H HN 0.440 nan 8.280 nan 0.000 0.523 511 G N 0.805 109.616 108.800 0.017 0.000 2.394 511 G HA2 -0.170 3.788 3.960 -0.004 0.000 0.215 511 G HA3 -0.170 3.788 3.960 -0.004 0.000 0.215 511 G C 1.743 176.578 174.900 -0.109 0.000 1.165 511 G CA 0.188 45.256 45.100 -0.054 0.000 0.784 511 G HN 0.212 nan 8.290 nan 0.000 0.535 512 L N 0.681 121.809 121.223 -0.159 0.000 2.127 512 L HA -0.098 4.240 4.340 -0.004 0.000 0.211 512 L C 2.568 179.361 176.870 -0.128 0.000 1.089 512 L CA 0.846 55.584 54.840 -0.170 0.000 0.757 512 L CB -0.273 41.629 42.059 -0.262 0.000 0.899 512 L HN 0.157 nan 8.230 nan 0.000 0.434 513 N N -0.824 117.803 118.700 -0.121 0.000 2.250 513 N HA -0.082 4.656 4.740 -0.004 0.000 0.181 513 N C 1.833 177.274 175.510 -0.115 0.000 1.017 513 N CA 0.954 53.935 53.050 -0.115 0.000 0.866 513 N CB -0.206 38.206 38.487 -0.125 0.000 0.985 513 N HN 0.109 nan 8.380 nan 0.000 0.429 514 V N 1.522 121.373 119.914 -0.105 0.000 2.453 514 V HA -0.080 4.038 4.120 -0.004 0.000 0.247 514 V C 2.416 178.450 176.094 -0.101 0.000 1.048 514 V CA 1.467 63.706 62.300 -0.101 0.000 1.049 514 V CB -0.924 30.848 31.823 -0.084 0.000 0.672 514 V HN 0.234 nan 8.190 nan 0.000 0.457 515 A N 0.153 122.906 122.820 -0.111 0.000 1.865 515 A HA -0.281 4.036 4.320 -0.004 0.000 0.217 515 A C 2.181 179.721 177.584 -0.073 0.000 1.191 515 A CA 2.124 54.088 52.037 -0.122 0.000 0.623 515 A CB -0.529 18.388 19.000 -0.138 0.000 0.826 515 A HN 0.618 nan 8.150 nan 0.000 0.444 516 E N -0.832 119.331 120.200 -0.062 0.000 2.110 516 E HA -0.199 4.149 4.350 -0.004 0.000 0.193 516 E C 2.137 178.721 176.600 -0.027 0.000 0.988 516 E CA 1.269 57.660 56.400 -0.015 0.000 0.804 516 E CB -0.439 29.199 29.700 -0.104 0.000 0.745 516 E HN 0.706 nan 8.360 nan 0.000 0.458 517 C N 0.671 119.916 119.300 -0.091 0.000 2.413 517 C HA -0.152 4.306 4.460 -0.004 0.000 0.276 517 C C 2.725 177.684 174.990 -0.050 0.000 1.236 517 C CA 0.725 59.689 59.018 -0.091 0.000 1.735 517 C CB -0.772 26.898 27.740 -0.117 0.000 2.031 517 C HN 0.445 nan 8.230 nan 0.000 0.474 518 M N 1.094 120.661 119.600 -0.056 0.000 2.086 518 M HA -0.151 4.326 4.480 -0.004 0.000 0.261 518 M C 2.547 178.825 176.300 -0.037 0.000 1.067 518 M CA 2.208 57.473 55.300 -0.058 0.000 1.116 518 M CB -0.599 31.973 32.600 -0.046 0.000 1.348 518 M HN 0.458 nan 8.290 nan 0.000 0.407 519 A N -0.412 122.414 122.820 0.009 0.000 1.855 519 A HA -0.188 4.130 4.320 -0.004 0.000 0.215 519 A C 1.740 179.339 177.584 0.026 0.000 1.191 519 A CA 1.855 53.905 52.037 0.022 0.000 0.613 519 A CB -1.163 17.855 19.000 0.031 0.000 0.829 519 A HN 0.462 nan 8.150 nan 0.000 0.442 520 H N 0.093 119.137 119.070 -0.044 0.000 2.387 520 H HA -0.061 4.493 4.556 -0.003 0.000 0.299 520 H C 2.527 177.831 175.328 -0.039 0.000 1.099 520 H CA 1.699 57.732 56.048 -0.026 0.000 1.315 520 H CB -0.200 29.549 29.762 -0.022 0.000 1.380 520 H HN 0.453 nan 8.280 nan 0.000 0.513 521 S N -0.256 115.466 115.700 0.036 0.000 2.368 521 S HA -0.148 4.320 4.470 -0.004 0.000 0.225 521 S C 2.399 176.910 174.600 -0.149 0.000 1.030 521 S CA 0.897 59.056 58.200 -0.069 0.000 0.999 521 S CB -0.295 62.815 63.200 -0.149 0.000 0.844 521 S HN 0.599 nan 8.310 nan 0.000 0.459 522 A N 1.062 123.768 122.820 -0.191 0.000 1.930 522 A HA 0.060 4.378 4.320 -0.004 0.000 0.215 522 A C 2.077 179.634 177.584 -0.045 0.000 1.176 522 A CA 1.441 53.302 52.037 -0.293 0.000 0.632 522 A CB -0.549 18.369 19.000 -0.138 0.000 0.819 522 A HN 0.455 nan 8.150 nan 0.000 0.445 523 M N 0.178 119.772 119.600 -0.010 0.000 2.279 523 M HA -0.014 4.464 4.480 -0.004 0.000 0.264 523 M C 1.852 178.179 176.300 0.044 0.000 1.062 523 M CA 1.759 57.064 55.300 0.009 0.000 1.099 523 M CB -0.274 32.287 32.600 -0.065 0.000 1.394 523 M HN 0.339 nan 8.290 nan 0.000 0.426 524 A N -0.671 122.196 122.820 0.077 0.000 2.081 524 A HA 0.103 4.420 4.320 -0.004 0.000 0.214 524 A C 1.463 179.185 177.584 0.230 0.000 1.158 524 A CA 0.026 52.178 52.037 0.191 0.000 0.724 524 A CB -0.360 18.817 19.000 0.294 0.000 0.826 524 A HN 0.463 nan 8.150 nan 0.000 0.463 525 R N 1.407 121.940 120.500 0.056 0.000 2.325 525 R HA 0.175 4.512 4.340 -0.004 0.000 0.323 525 R C -0.727 175.351 176.300 -0.370 0.000 1.177 525 R CA -0.079 55.903 56.100 -0.197 0.000 1.018 525 R CB -0.123 30.046 30.300 -0.219 0.000 1.070 525 R HN 0.163 nan 8.270 nan 0.000 0.495 526 K N 4.669 124.596 120.400 -0.787 0.000 2.751 526 K HA 0.027 4.345 4.320 -0.004 0.000 0.252 526 K C -0.571 175.676 176.600 -0.589 0.000 1.277 526 K CA -0.026 55.994 56.287 -0.445 0.000 1.226 526 K CB 0.114 32.569 32.500 -0.075 0.000 1.658 526 K HN 0.677 nan 8.250 nan 0.000 0.303 527 E N -1.793 118.126 120.200 -0.468 0.000 2.425 527 E HA 0.392 4.740 4.350 -0.004 0.000 0.272 527 E C -1.220 175.330 176.600 -0.083 0.000 1.061 527 E CA -1.107 55.145 56.400 -0.247 0.000 0.877 527 E CB 1.214 30.764 29.700 -0.250 0.000 1.590 527 E HN -0.125 nan 8.360 nan 0.000 0.462 528 S N -0.217 115.471 115.700 -0.021 0.000 2.707 528 S HA 0.562 5.029 4.470 -0.004 0.000 0.303 528 S C -1.170 173.477 174.600 0.078 0.000 1.132 528 S CA -0.693 57.507 58.200 0.001 0.000 1.046 528 S CB 0.981 64.159 63.200 -0.036 0.000 1.004 528 S HN 0.440 nan 8.310 nan 0.000 0.483 529 R N 1.699 122.299 120.500 0.166 0.000 2.604 529 R HA 0.565 4.903 4.340 -0.004 0.000 0.281 529 R C 0.921 177.307 176.300 0.143 0.000 1.020 529 R CA 0.252 56.444 56.100 0.154 0.000 0.899 529 R CB 1.273 31.689 30.300 0.194 0.000 1.205 529 R HN 0.854 nan 8.270 nan 0.000 0.450 530 G N 2.321 111.145 108.800 0.040 0.000 2.702 530 G HA2 -0.491 3.467 3.960 -0.004 0.000 0.342 530 G HA3 -0.491 3.467 3.960 -0.004 0.000 0.342 530 G C 0.857 175.794 174.900 0.061 0.000 1.258 530 G CA 1.059 46.157 45.100 -0.003 0.000 0.990 530 G HN 0.802 nan 8.290 nan 0.000 0.548 531 A N -0.638 122.259 122.820 0.128 0.000 2.066 531 A HA 0.252 4.570 4.320 -0.004 0.000 0.218 531 A C 1.275 179.005 177.584 0.242 0.000 1.157 531 A CA 1.991 54.138 52.037 0.182 0.000 0.670 531 A CB -0.272 18.877 19.000 0.249 0.000 0.804 531 A HN 1.220 nan 8.150 nan 0.000 0.453 532 H N 0.974 120.201 119.070 0.261 0.000 2.640 532 H HA 0.474 5.028 4.556 -0.004 0.000 0.297 532 H C -0.725 174.640 175.328 0.063 0.000 1.073 532 H CA -0.249 55.886 56.048 0.145 0.000 1.305 532 H CB 0.203 30.062 29.762 0.162 0.000 1.404 532 H HN 0.196 nan 8.280 nan 0.000 0.459 533 Q N 5.078 124.703 119.800 -0.292 0.000 2.292 533 Q HA 0.374 4.712 4.340 -0.004 0.000 0.270 533 Q C -0.476 175.380 176.000 -0.241 0.000 1.024 533 Q CA -0.713 54.956 55.803 -0.224 0.000 0.768 533 Q CB 2.515 31.189 28.738 -0.106 0.000 1.250 533 Q HN 0.727 nan 8.270 nan 0.000 0.447 534 R N 1.567 121.928 120.500 -0.231 0.000 2.668 534 R HA 0.511 4.848 4.340 -0.004 0.000 0.279 534 R C 1.089 177.331 176.300 -0.097 0.000 0.976 534 R CA -0.507 55.488 56.100 -0.174 0.000 0.978 534 R CB 1.520 31.705 30.300 -0.191 0.000 1.133 534 R HN 0.460 nan 8.270 nan 0.000 0.484 535 L N 0.545 121.708 121.223 -0.100 0.000 2.221 535 L HA 0.016 4.354 4.340 -0.004 0.000 0.202 535 L C 0.599 177.424 176.870 -0.075 0.000 1.074 535 L CA 0.154 54.924 54.840 -0.116 0.000 0.795 535 L CB -0.225 41.749 42.059 -0.141 0.000 0.960 535 L HN 0.748 nan 8.230 nan 0.000 0.458 536 D N 2.451 122.817 120.400 -0.056 0.000 2.525 536 D HA -0.123 4.514 4.640 -0.004 0.000 0.235 536 D C 0.049 176.329 176.300 -0.033 0.000 1.137 536 D CA -0.090 53.889 54.000 -0.036 0.000 0.868 536 D CB 0.646 41.431 40.800 -0.025 0.000 1.180 536 D HN 0.370 nan 8.370 nan 0.000 0.465 537 E N 0.694 120.880 120.200 -0.023 0.000 2.392 537 E HA 0.330 4.678 4.350 -0.004 0.000 0.264 537 E C 0.917 177.512 176.600 -0.008 0.000 1.024 537 E CA -0.321 56.069 56.400 -0.017 0.000 0.903 537 E CB 0.428 30.120 29.700 -0.012 0.000 0.963 537 E HN 0.724 nan 8.360 nan 0.000 0.432 538 G N 2.131 110.928 108.800 -0.005 0.000 2.176 538 G HA2 -0.287 3.671 3.960 -0.004 0.000 0.232 538 G HA3 -0.287 3.671 3.960 -0.004 0.000 0.232 538 G C 0.555 175.455 174.900 0.001 0.000 0.986 538 G CA 0.079 45.183 45.100 0.006 0.000 0.643 538 G HN 0.632 nan 8.290 nan 0.000 0.522 539 C N -0.148 119.139 119.300 -0.022 0.000 3.276 539 C HA 0.271 4.728 4.460 -0.004 0.000 0.512 539 C C 2.820 177.779 174.990 -0.052 0.000 1.376 539 C CA 1.519 60.506 59.018 -0.051 0.000 2.319 539 C CB -0.248 27.449 27.740 -0.071 0.000 3.330 539 C HN 0.935 nan 8.230 nan 0.000 0.596 540 T N 1.340 115.869 114.554 -0.041 0.000 3.070 540 T HA -0.155 4.192 4.350 -0.004 0.000 0.270 540 T C 0.370 175.062 174.700 -0.013 0.000 1.175 540 T CA 1.420 63.500 62.100 -0.033 0.000 1.073 540 T CB -0.658 68.192 68.868 -0.030 0.000 0.840 540 T HN 0.844 nan 8.240 nan 0.000 0.576 541 E N -0.458 119.737 120.200 -0.008 0.000 2.410 541 E HA 0.461 4.808 4.350 -0.004 0.000 0.269 541 E C -0.921 175.690 176.600 0.019 0.000 0.937 541 E CA -1.430 54.976 56.400 0.009 0.000 0.793 541 E CB 1.436 31.143 29.700 0.012 0.000 1.314 541 E HN 0.041 nan 8.360 nan 0.000 0.447 542 R N 0.928 121.447 120.500 0.032 0.000 2.370 542 R HA 0.017 4.354 4.340 -0.004 0.000 0.309 542 R C -0.673 175.659 176.300 0.054 0.000 1.059 542 R CA 0.017 56.147 56.100 0.050 0.000 0.981 542 R CB 0.353 30.687 30.300 0.056 0.000 0.972 542 R HN 0.459 nan 8.270 nan 0.000 0.437 543 D N 3.683 124.135 120.400 0.087 0.000 2.557 543 D HA 0.061 4.698 4.640 -0.004 0.000 0.236 543 D C -0.657 175.718 176.300 0.125 0.000 1.154 543 D CA -0.341 53.731 54.000 0.122 0.000 0.985 543 D CB 0.534 41.467 40.800 0.220 0.000 1.010 543 D HN 0.434 nan 8.370 nan 0.000 0.516 544 D N 1.408 121.844 120.400 0.060 0.000 2.396 544 D HA -0.002 4.636 4.640 -0.004 0.000 0.255 544 D C 1.337 177.646 176.300 0.013 0.000 1.224 544 D CA 0.273 54.291 54.000 0.030 0.000 0.894 544 D CB 0.730 41.509 40.800 -0.034 0.000 0.939 544 D HN 0.196 nan 8.370 nan 0.000 0.506 545 V N -0.706 119.227 119.914 0.031 0.000 3.350 545 V HA 0.101 4.219 4.120 -0.004 0.000 0.246 545 V C 1.387 177.462 176.094 -0.031 0.000 1.363 545 V CA 0.340 62.638 62.300 -0.002 0.000 1.162 545 V CB 0.270 32.091 31.823 -0.002 0.000 0.947 545 V HN 0.180 nan 8.190 nan 0.000 0.454 546 N N -1.055 117.637 118.700 -0.014 0.000 2.397 546 N HA 0.189 4.926 4.740 -0.004 0.000 0.190 546 N C 0.570 175.836 175.510 -0.406 0.000 1.099 546 N CA 0.488 53.423 53.050 -0.192 0.000 0.876 546 N CB 0.625 39.019 38.487 -0.154 0.000 1.143 546 N HN 0.367 nan 8.380 nan 0.000 0.468 547 F N 0.877 120.803 119.950 -0.040 0.000 2.735 547 F HA 0.289 4.814 4.527 -0.004 0.000 0.308 547 F C 0.048 175.858 175.800 0.016 0.000 1.112 547 F CA -0.534 57.450 58.000 -0.026 0.000 1.235 547 F CB 0.565 39.576 39.000 0.019 0.000 1.027 547 F HN -0.046 nan 8.300 nan 0.000 0.528 548 L N 3.912 125.206 121.223 0.118 0.000 2.382 548 L HA 0.285 4.623 4.340 -0.004 0.000 0.259 548 L C 0.023 176.909 176.870 0.026 0.000 1.291 548 L CA 0.206 55.093 54.840 0.078 0.000 1.176 548 L CB -1.860 40.227 42.059 0.047 0.000 1.373 548 L HN 0.321 nan 8.230 nan 0.000 0.426 549 K N 1.181 121.605 120.400 0.040 0.000 2.672 549 K HA 0.449 4.766 4.320 -0.004 0.000 0.295 549 K C -1.281 175.330 176.600 0.019 0.000 1.042 549 K CA -0.942 55.340 56.287 -0.008 0.000 0.869 549 K CB 0.886 33.441 32.500 0.091 0.000 1.541 549 K HN 0.133 nan 8.250 nan 0.000 0.396 550 H N 0.382 119.602 119.070 0.250 0.000 2.487 550 H HA 0.259 4.813 4.556 -0.003 0.000 0.333 550 H C -0.472 174.981 175.328 0.210 0.000 1.114 550 H CA -0.364 55.819 56.048 0.226 0.000 1.310 550 H CB 1.882 31.722 29.762 0.131 0.000 1.462 550 H HN 0.480 nan 8.280 nan 0.000 0.516 551 T N 4.240 118.940 114.554 0.243 0.000 2.806 551 T HA 0.352 4.700 4.350 -0.004 0.000 0.290 551 T C 0.496 175.137 174.700 -0.098 0.000 0.966 551 T CA -0.567 61.493 62.100 -0.065 0.000 1.060 551 T CB 0.164 68.986 68.868 -0.076 0.000 0.927 551 T HN 0.234 nan 8.240 nan 0.000 0.485 552 L N 3.144 124.253 121.223 -0.190 0.000 2.319 552 L HA 0.703 5.041 4.340 -0.004 0.000 0.281 552 L C 0.191 176.981 176.870 -0.133 0.000 1.005 552 L CA -1.011 53.744 54.840 -0.141 0.000 0.828 552 L CB 1.410 43.467 42.059 -0.005 0.000 1.227 552 L HN 0.627 nan 8.230 nan 0.000 0.415 553 A N 3.377 126.037 122.820 -0.267 0.000 2.312 553 A HA 0.901 5.218 4.320 -0.004 0.000 0.328 553 A C -1.155 176.193 177.584 -0.394 0.000 1.158 553 A CA -0.252 51.679 52.037 -0.177 0.000 0.821 553 A CB 0.697 19.603 19.000 -0.157 0.000 1.170 553 A HN 0.494 nan 8.150 nan 0.000 0.490 554 F N 0.159 120.045 119.950 -0.106 0.000 2.556 554 F HA 0.594 5.118 4.527 -0.004 0.000 0.314 554 F C 0.352 176.090 175.800 -0.104 0.000 1.106 554 F CA -0.558 57.387 58.000 -0.092 0.000 0.911 554 F CB 2.367 41.323 39.000 -0.073 0.000 1.190 554 F HN 0.564 nan 8.300 nan 0.000 0.448 555 R N 2.523 123.046 120.500 0.039 0.000 2.937 555 R HA 0.276 4.614 4.340 -0.004 0.000 0.264 555 R C -0.967 175.330 176.300 -0.006 0.000 1.334 555 R CA -0.408 55.677 56.100 -0.024 0.000 1.516 555 R CB -0.614 29.637 30.300 -0.082 0.000 1.187 555 R HN 0.439 nan 8.270 nan 0.000 0.609 556 D N 1.990 122.400 120.400 0.016 0.000 2.515 556 D HA -0.070 4.567 4.640 -0.004 0.000 0.232 556 D C 1.041 177.332 176.300 -0.015 0.000 1.157 556 D CA 0.848 54.851 54.000 0.005 0.000 0.871 556 D CB 0.945 41.742 40.800 -0.005 0.000 1.200 556 D HN 0.563 nan 8.370 nan 0.000 0.466 557 A N 2.758 125.568 122.820 -0.015 0.000 2.148 557 A HA -0.215 4.103 4.320 -0.004 0.000 0.222 557 A C 1.306 178.879 177.584 -0.018 0.000 1.161 557 A CA 1.446 53.469 52.037 -0.022 0.000 0.662 557 A CB -0.304 18.686 19.000 -0.016 0.000 0.799 557 A HN 0.623 nan 8.150 nan 0.000 0.466 558 D N -1.338 119.053 120.400 -0.014 0.000 2.363 558 D HA 0.173 4.811 4.640 -0.004 0.000 0.226 558 D C 1.246 177.539 176.300 -0.011 0.000 1.020 558 D CA 0.852 54.846 54.000 -0.011 0.000 0.892 558 D CB -0.402 40.392 40.800 -0.009 0.000 0.900 558 D HN 0.710 nan 8.370 nan 0.000 0.531 559 G N 1.551 110.340 108.800 -0.018 0.000 2.148 559 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.254 559 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.254 559 G C 0.469 175.350 174.900 -0.032 0.000 0.981 559 G CA 0.705 45.793 45.100 -0.019 0.000 0.670 559 G HN 0.631 nan 8.290 nan 0.000 0.528 560 T N -1.561 112.971 114.554 -0.036 0.000 2.925 560 T HA 0.690 5.038 4.350 -0.004 0.000 0.285 560 T C 0.003 174.653 174.700 -0.083 0.000 1.021 560 T CA 0.121 62.190 62.100 -0.052 0.000 1.042 560 T CB 2.257 71.111 68.868 -0.024 0.000 1.037 560 T HN 0.324 nan 8.240 nan 0.000 0.481 561 T N 2.986 117.442 114.554 -0.164 0.000 2.837 561 T HA 0.555 4.903 4.350 -0.004 0.000 0.285 561 T C -0.153 174.489 174.700 -0.097 0.000 0.984 561 T CA -0.826 61.152 62.100 -0.204 0.000 1.049 561 T CB 0.790 69.351 68.868 -0.512 0.000 0.947 561 T HN 0.645 nan 8.240 nan 0.000 0.472 562 R N 3.140 123.637 120.500 -0.006 0.000 2.575 562 R HA 0.528 4.865 4.340 -0.004 0.000 0.293 562 R C -1.542 174.815 176.300 0.095 0.000 0.983 562 R CA -0.647 55.474 56.100 0.034 0.000 0.887 562 R CB 1.173 31.471 30.300 -0.003 0.000 1.184 562 R HN 0.606 nan 8.270 nan 0.000 0.445 563 L N 2.623 123.883 121.223 0.061 0.000 2.352 563 L HA 0.586 4.924 4.340 -0.004 0.000 0.269 563 L C 0.230 177.086 176.870 -0.024 0.000 1.034 563 L CA -0.558 54.291 54.840 0.015 0.000 0.806 563 L CB 1.799 43.836 42.059 -0.037 0.000 1.244 563 L HN 0.663 nan 8.230 nan 0.000 0.447 564 E N -0.057 120.067 120.200 -0.127 0.000 2.460 564 E HA 0.542 4.889 4.350 -0.004 0.000 0.277 564 E C -1.922 174.468 176.600 -0.350 0.000 1.010 564 E CA -0.769 55.593 56.400 -0.063 0.000 0.838 564 E CB 2.672 32.425 29.700 0.089 0.000 1.448 564 E HN 0.276 nan 8.360 nan 0.000 0.462 565 Y N -0.428 119.942 120.300 0.116 0.000 2.615 565 Y HA 0.531 5.079 4.550 -0.003 0.000 0.341 565 Y C -0.494 175.475 175.900 0.114 0.000 1.089 565 Y CA -0.552 57.616 58.100 0.113 0.000 1.049 565 Y CB 2.412 40.909 38.460 0.062 0.000 1.296 565 Y HN 0.552 nan 8.280 nan 0.000 0.470 566 S N -0.644 115.234 115.700 0.296 0.000 2.565 566 S HA 0.411 4.879 4.470 -0.004 0.000 0.269 566 S C -1.968 172.768 174.600 0.227 0.000 1.153 566 S CA -1.262 57.075 58.200 0.230 0.000 0.835 566 S CB 1.989 65.314 63.200 0.207 0.000 1.122 566 S HN 0.471 nan 8.310 nan 0.000 0.462 567 D N 0.958 121.461 120.400 0.171 0.000 2.399 567 D HA 0.275 4.913 4.640 -0.004 0.000 0.241 567 D C -0.299 176.099 176.300 0.163 0.000 1.133 567 D CA 0.092 54.167 54.000 0.127 0.000 0.890 567 D CB 1.170 42.026 40.800 0.094 0.000 1.201 567 D HN 0.387 nan 8.370 nan 0.000 0.432 568 V N 3.301 123.252 119.914 0.062 0.000 2.304 568 V HA 0.057 4.174 4.120 -0.004 0.000 0.262 568 V C 0.621 176.785 176.094 0.116 0.000 1.061 568 V CA -0.694 61.644 62.300 0.064 0.000 0.872 568 V CB 0.571 32.362 31.823 -0.052 0.000 1.077 568 V HN 0.351 nan 8.190 nan 0.000 0.480 569 K N 5.541 126.030 120.400 0.149 0.000 2.447 569 K HA 0.205 4.522 4.320 -0.004 0.000 0.281 569 K C -0.341 176.342 176.600 0.138 0.000 1.031 569 K CA -0.120 56.242 56.287 0.126 0.000 1.019 569 K CB 0.312 32.882 32.500 0.117 0.000 0.918 569 K HN 0.442 nan 8.250 nan 0.000 0.476 570 I N 3.580 124.230 120.570 0.134 0.000 2.793 570 I HA 0.219 4.386 4.170 -0.004 0.000 0.313 570 I C 0.884 177.097 176.117 0.161 0.000 0.998 570 I CA -0.544 60.855 61.300 0.164 0.000 1.140 570 I CB 1.566 39.661 38.000 0.158 0.000 1.327 570 I HN 0.837 nan 8.210 nan 0.000 0.491 571 T N 0.961 115.636 114.554 0.202 0.000 3.426 571 T HA 0.009 4.357 4.350 -0.004 0.000 0.195 571 T C 1.054 175.863 174.700 0.182 0.000 0.963 571 T CA 0.354 62.567 62.100 0.188 0.000 1.154 571 T CB 0.226 69.237 68.868 0.238 0.000 1.377 571 T HN 0.666 nan 8.240 nan 0.000 0.342 572 T N 0.552 115.254 114.554 0.247 0.000 3.091 572 T HA 0.475 4.823 4.350 -0.004 0.000 0.277 572 T C -0.899 173.953 174.700 0.255 0.000 0.996 572 T CA -0.160 62.068 62.100 0.214 0.000 0.897 572 T CB -0.155 68.822 68.868 0.182 0.000 1.109 572 T HN 0.050 nan 8.240 nan 0.000 0.534 573 L N 3.154 124.558 121.223 0.301 0.000 2.485 573 L HA 0.570 4.908 4.340 -0.004 0.000 0.260 573 L C -2.787 174.320 176.870 0.396 0.000 0.998 573 L CA -1.927 53.123 54.840 0.350 0.000 0.883 573 L CB 1.902 44.190 42.059 0.382 0.000 1.196 573 L HN -0.099 nan 8.230 nan 0.000 0.443 574 P HA 0.303 nan 4.420 nan 0.000 0.274 574 P C -2.380 174.745 177.300 -0.291 0.000 1.231 574 P CA -1.322 61.802 63.100 0.040 0.000 0.790 574 P CB 0.120 31.819 31.700 -0.001 0.000 0.951 575 P HA 0.086 nan 4.420 nan 0.000 0.246 575 P C -1.753 175.078 177.300 -0.781 0.000 1.686 575 P CA 0.087 62.447 63.100 -1.234 0.000 0.867 575 P CB 0.035 31.370 31.700 -0.608 0.000 1.733 576 A N 0.000 122.485 122.820 -0.558 0.000 2.254 576 A HA 0.000 4.318 4.320 -0.004 0.000 0.244 576 A CA 0.000 51.843 52.037 -0.323 0.000 0.836 576 A CB 0.000 18.898 19.000 -0.170 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486