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 1wf4_1_h DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.555 177.584 -0.048 0.000 1.274 3 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 3 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 4 K N 0.456 120.829 120.400 -0.045 0.000 2.488 4 K HA 0.715 5.035 4.320 0.000 0.000 0.255 4 K C -0.242 176.325 176.600 -0.055 0.000 1.036 4 K CA -0.523 55.727 56.287 -0.063 0.000 0.990 4 K CB 1.233 33.701 32.500 -0.054 0.000 1.304 4 K HN 0.949 nan 8.250 nan 0.000 0.505 5 I N 0.909 121.440 120.570 -0.064 0.000 2.622 5 I HA 0.179 4.349 4.170 0.000 0.000 0.283 5 I C -1.492 174.584 176.117 -0.068 0.000 1.202 5 I CA -0.490 60.782 61.300 -0.047 0.000 1.075 5 I CB 0.691 38.663 38.000 -0.047 0.000 1.274 5 I HN 0.353 nan 8.210 nan 0.000 0.450 6 L N 7.160 128.349 121.223 -0.055 0.000 2.418 6 L HA 0.626 4.966 4.340 0.000 0.000 0.265 6 L C -0.647 176.137 176.870 -0.143 0.000 1.143 6 L CA -0.609 54.136 54.840 -0.158 0.000 0.809 6 L CB 1.564 43.573 42.059 -0.083 0.000 1.124 6 L HN 0.353 nan 8.230 nan 0.000 0.456 7 V N 2.385 122.078 119.914 -0.369 0.000 2.752 7 V HA 0.409 4.529 4.120 0.000 0.000 0.302 7 V C -0.762 175.140 176.094 -0.319 0.000 1.133 7 V CA -0.545 61.659 62.300 -0.160 0.000 0.919 7 V CB 1.720 33.494 31.823 -0.081 0.000 1.026 7 V HN 0.430 nan 8.190 nan 0.000 0.429 8 F N 0.560 120.511 119.950 0.003 0.000 2.697 8 F HA 0.623 5.150 4.527 0.000 0.000 0.386 8 F C 1.211 177.013 175.800 0.003 0.000 1.154 8 F CA -0.640 57.362 58.000 0.003 0.000 1.108 8 F CB 0.286 39.287 39.000 0.002 0.000 1.429 8 F HN 0.579 nan 8.300 nan 0.000 0.509 9 D N 0.206 120.750 120.400 0.240 0.000 3.577 9 D HA -0.336 4.304 4.640 0.000 0.000 0.166 9 D C 1.410 177.758 176.300 0.079 0.000 1.039 9 D CA 1.645 55.719 54.000 0.123 0.000 0.860 9 D CB -0.598 40.260 40.800 0.097 0.000 0.456 9 D HN 0.771 nan 8.370 nan 0.000 0.418 10 E N 0.732 120.967 120.200 0.059 0.000 2.130 10 E HA -0.211 4.139 4.350 0.000 0.000 0.196 10 E C 2.107 178.732 176.600 0.042 0.000 0.998 10 E CA 1.412 57.837 56.400 0.041 0.000 0.806 10 E CB -0.227 29.493 29.700 0.032 0.000 0.738 10 E HN 0.433 nan 8.360 nan 0.000 0.459 11 A N 1.229 124.083 122.820 0.056 0.000 1.884 11 A HA -0.271 4.049 4.320 0.000 0.000 0.219 11 A C 2.373 179.979 177.584 0.036 0.000 1.197 11 A CA 2.382 54.450 52.037 0.052 0.000 0.637 11 A CB -0.954 18.093 19.000 0.077 0.000 0.827 11 A HN 0.414 nan 8.150 nan 0.000 0.450 12 A N -0.628 122.213 122.820 0.035 0.000 1.841 12 A HA -0.149 4.171 4.320 0.000 0.000 0.214 12 A C 2.222 179.810 177.584 0.007 0.000 1.195 12 A CA 1.603 53.644 52.037 0.006 0.000 0.611 12 A CB -0.564 18.425 19.000 -0.018 0.000 0.835 12 A HN 0.542 nan 8.150 nan 0.000 0.443 13 R N -0.974 119.535 120.500 0.015 0.000 2.117 13 R HA -0.132 4.208 4.340 0.000 0.000 0.243 13 R C 2.368 178.675 176.300 0.012 0.000 1.143 13 R CA 1.488 57.596 56.100 0.012 0.000 0.968 13 R CB -0.283 30.028 30.300 0.017 0.000 0.863 13 R HN 0.326 nan 8.270 nan 0.000 0.444 14 R N 0.168 120.677 120.500 0.015 0.000 2.092 14 R HA -0.001 4.339 4.340 0.000 0.000 0.231 14 R C 2.175 178.482 176.300 0.011 0.000 1.119 14 R CA 1.367 57.475 56.100 0.013 0.000 0.970 14 R CB -0.744 29.566 30.300 0.016 0.000 0.864 14 R HN 0.254 nan 8.270 nan 0.000 0.440 15 A N 1.510 124.337 122.820 0.011 0.000 1.845 15 A HA -0.129 4.191 4.320 0.000 0.000 0.215 15 A C 2.412 180.000 177.584 0.007 0.000 1.195 15 A CA 1.224 53.267 52.037 0.010 0.000 0.616 15 A CB -0.747 18.258 19.000 0.009 0.000 0.832 15 A HN 0.185 nan 8.150 nan 0.000 0.443 16 L N -0.701 120.525 121.223 0.004 0.000 2.013 16 L HA -0.283 4.058 4.340 0.000 0.000 0.212 16 L C 2.727 179.599 176.870 0.004 0.000 1.073 16 L CA 2.128 56.969 54.840 0.003 0.000 0.753 16 L CB -0.711 41.349 42.059 0.001 0.000 0.890 16 L HN 0.669 nan 8.230 nan 0.000 0.432 17 E N 0.477 120.680 120.200 0.005 0.000 2.097 17 E HA -0.282 4.068 4.350 0.000 0.000 0.196 17 E C 2.332 178.935 176.600 0.004 0.000 1.000 17 E CA 1.423 57.826 56.400 0.005 0.000 0.804 17 E CB 0.019 29.723 29.700 0.007 0.000 0.740 17 E HN 0.357 nan 8.360 nan 0.000 0.454 18 R N -0.384 120.119 120.500 0.005 0.000 2.083 18 R HA -0.133 4.207 4.340 0.000 0.000 0.237 18 R C 2.535 178.836 176.300 0.001 0.000 1.137 18 R CA 1.325 57.427 56.100 0.003 0.000 0.951 18 R CB -0.585 29.718 30.300 0.004 0.000 0.851 18 R HN 0.328 nan 8.270 nan 0.000 0.434 19 G N 0.331 109.132 108.800 0.001 0.000 2.433 19 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 19 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 19 G C 1.474 176.374 174.900 -0.001 0.000 1.186 19 G CA 0.889 45.989 45.100 -0.001 0.000 0.779 19 G HN 0.143 nan 8.290 nan 0.000 0.543 20 V N 1.747 121.662 119.914 0.001 0.000 2.278 20 V HA -0.290 3.830 4.120 0.000 0.000 0.251 20 V C 2.703 178.798 176.094 0.001 0.000 1.062 20 V CA 2.142 64.443 62.300 0.002 0.000 1.038 20 V CB -0.493 31.332 31.823 0.003 0.000 0.646 20 V HN 0.381 nan 8.190 nan 0.000 0.447 21 N N 0.029 118.730 118.700 0.002 0.000 2.188 21 N HA -0.109 4.631 4.740 0.000 0.000 0.184 21 N C 1.946 177.456 175.510 0.000 0.000 1.018 21 N CA 1.557 54.608 53.050 0.002 0.000 0.858 21 N CB -0.397 38.091 38.487 0.002 0.000 0.989 21 N HN 0.513 nan 8.380 nan 0.000 0.426 22 A N 1.154 123.973 122.820 -0.001 0.000 1.892 22 A HA -0.142 4.179 4.320 0.000 0.000 0.218 22 A C 2.556 180.138 177.584 -0.003 0.000 1.188 22 A CA 1.711 53.745 52.037 -0.003 0.000 0.631 22 A CB -0.890 18.106 19.000 -0.006 0.000 0.822 22 A HN 0.104 nan 8.150 nan 0.000 0.447 23 V N -0.315 119.597 119.914 -0.003 0.000 2.229 23 V HA -0.198 3.922 4.120 0.000 0.000 0.243 23 V C 3.076 179.169 176.094 -0.001 0.000 1.042 23 V CA 1.978 64.277 62.300 -0.002 0.000 1.000 23 V CB -1.550 30.273 31.823 -0.002 0.000 0.637 23 V HN 0.649 nan 8.190 nan 0.000 0.446 24 A N 0.777 123.597 122.820 0.001 0.000 1.915 24 A HA -0.337 3.983 4.320 0.000 0.000 0.220 24 A C 2.022 179.607 177.584 0.002 0.000 1.198 24 A CA 2.573 54.611 52.037 0.002 0.000 0.647 24 A CB -0.937 18.065 19.000 0.003 0.000 0.825 24 A HN 0.646 nan 8.150 nan 0.000 0.456 25 N N -0.093 118.608 118.700 0.002 0.000 2.309 25 N HA -0.058 4.682 4.740 0.000 0.000 0.182 25 N C 1.807 177.318 175.510 0.001 0.000 1.018 25 N CA 1.401 54.452 53.050 0.002 0.000 0.876 25 N CB -0.459 38.029 38.487 0.001 0.000 0.972 25 N HN 0.549 nan 8.380 nan 0.000 0.434 26 A N 0.532 123.351 122.820 -0.000 0.000 1.898 26 A HA 0.017 4.337 4.320 0.000 0.000 0.214 26 A C 2.492 180.076 177.584 -0.000 0.000 1.183 26 A CA 0.794 52.830 52.037 -0.001 0.000 0.622 26 A CB -0.496 18.502 19.000 -0.003 0.000 0.824 26 A HN 0.070 nan 8.150 nan 0.000 0.444 27 V N 1.600 121.514 119.914 0.000 0.000 2.323 27 V HA -0.266 3.854 4.120 0.000 0.000 0.244 27 V C 2.525 178.621 176.094 0.003 0.000 1.041 27 V CA 2.252 64.552 62.300 0.001 0.000 1.025 27 V CB -0.805 31.019 31.823 0.001 0.000 0.656 27 V HN 0.831 nan 8.190 nan 0.000 0.451 28 K N 1.679 122.082 120.400 0.004 0.000 2.281 28 K HA -0.133 4.187 4.320 0.000 0.000 0.203 28 K C 1.748 178.352 176.600 0.007 0.000 1.046 28 K CA 1.785 58.075 56.287 0.005 0.000 0.938 28 K CB -0.851 31.652 32.500 0.006 0.000 0.737 28 K HN 0.519 nan 8.250 nan 0.000 0.458 29 V N -0.095 119.823 119.914 0.007 0.000 3.383 29 V HA -0.074 4.046 4.120 0.000 0.000 0.272 29 V C 1.753 177.852 176.094 0.008 0.000 1.181 29 V CA 1.514 63.820 62.300 0.009 0.000 1.171 29 V CB -1.012 30.816 31.823 0.007 0.000 0.800 29 V HN 0.576 nan 8.190 nan 0.000 0.515 30 T N -3.035 111.522 114.554 0.005 0.000 2.985 30 T HA 0.322 4.672 4.350 0.000 0.000 0.254 30 T C 0.508 175.210 174.700 0.002 0.000 1.021 30 T CA -0.145 61.957 62.100 0.003 0.000 0.957 30 T CB -0.043 68.826 68.868 0.001 0.000 1.047 30 T HN 0.355 nan 8.240 nan 0.000 0.511 31 L N 2.929 124.154 121.223 0.003 0.000 2.525 31 L HA 0.457 4.797 4.340 0.000 0.000 0.278 31 L C 0.928 177.795 176.870 -0.004 0.000 1.218 31 L CA 2.029 56.869 54.840 0.000 0.000 0.878 31 L CB -0.602 41.459 42.059 0.002 0.000 1.127 31 L HN 0.777 nan 8.230 nan 0.000 0.492 32 G N 3.703 112.495 108.800 -0.013 0.000 2.757 32 G HA2 -0.179 3.781 3.960 0.000 0.000 0.638 32 G HA3 -0.179 3.781 3.960 0.000 0.000 0.638 32 G C -1.814 173.068 174.900 -0.030 0.000 1.344 32 G CA -0.422 44.662 45.100 -0.026 0.000 0.855 32 G HN 0.548 nan 8.290 nan 0.000 0.537 33 P HA 0.003 nan 4.420 nan 0.000 0.223 33 P C 1.100 178.378 177.300 -0.035 0.000 1.144 33 P CA 1.095 64.162 63.100 -0.055 0.000 0.783 33 P CB 0.112 31.754 31.700 -0.096 0.000 0.771 34 R N -0.895 119.592 120.500 -0.021 0.000 2.698 34 R HA 0.302 4.642 4.340 0.000 0.000 0.422 34 R C 0.630 176.937 176.300 0.012 0.000 1.073 34 R CA -0.349 55.752 56.100 0.001 0.000 1.054 34 R CB -0.041 30.273 30.300 0.022 0.000 1.373 34 R HN 0.043 nan 8.270 nan 0.000 0.593 35 G N 1.386 110.188 108.800 0.004 0.000 2.568 35 G HA2 -0.036 3.924 3.960 0.000 0.000 0.231 35 G HA3 -0.036 3.924 3.960 0.000 0.000 0.231 35 G C 0.293 175.199 174.900 0.010 0.000 1.261 35 G CA -0.256 44.848 45.100 0.007 0.000 0.855 35 G HN 0.086 nan 8.290 nan 0.000 0.576 36 R N 0.483 120.990 120.500 0.011 0.000 2.546 36 R HA 0.152 4.492 4.340 0.000 0.000 0.266 36 R C 0.244 176.546 176.300 0.003 0.000 1.086 36 R CA -0.574 55.532 56.100 0.010 0.000 1.160 36 R CB 0.373 30.680 30.300 0.012 0.000 1.138 36 R HN 0.674 nan 8.270 nan 0.000 0.567 37 N N -0.536 118.165 118.700 0.001 0.000 2.514 37 N HA 0.206 4.946 4.740 0.000 0.000 0.277 37 N C -0.901 174.607 175.510 -0.003 0.000 1.126 37 N CA -0.326 52.722 53.050 -0.003 0.000 0.978 37 N CB 1.203 39.688 38.487 -0.004 0.000 1.106 37 N HN 0.070 nan 8.380 nan 0.000 0.461 38 V N 2.694 122.605 119.914 -0.006 0.000 2.495 38 V HA 0.296 4.416 4.120 0.000 0.000 0.298 38 V C -0.130 175.959 176.094 -0.008 0.000 1.031 38 V CA -0.793 61.504 62.300 -0.006 0.000 0.871 38 V CB 1.864 33.684 31.823 -0.006 0.000 0.988 38 V HN 0.323 nan 8.190 nan 0.000 0.432 39 V N 6.493 126.402 119.914 -0.008 0.000 2.407 39 V HA 0.487 4.607 4.120 0.000 0.000 0.278 39 V C -0.479 175.609 176.094 -0.010 0.000 1.037 39 V CA -0.399 61.895 62.300 -0.009 0.000 0.900 39 V CB 1.391 33.209 31.823 -0.009 0.000 0.983 39 V HN 0.581 nan 8.190 nan 0.000 0.459 40 L N 5.080 126.297 121.223 -0.010 0.000 2.362 40 L HA 0.537 4.877 4.340 0.000 0.000 0.275 40 L C -0.012 176.853 176.870 -0.009 0.000 0.998 40 L CA -0.346 54.488 54.840 -0.010 0.000 0.820 40 L CB 1.887 43.940 42.059 -0.010 0.000 1.270 40 L HN 0.812 nan 8.230 nan 0.000 0.415 41 E N 3.054 123.247 120.200 -0.010 0.000 2.191 41 E HA 0.495 4.845 4.350 0.000 0.000 0.278 41 E C -1.074 175.523 176.600 -0.004 0.000 0.972 41 E CA -0.980 55.414 56.400 -0.010 0.000 0.804 41 E CB 1.389 31.078 29.700 -0.019 0.000 1.110 41 E HN 0.186 nan 8.360 nan 0.000 0.394 42 K N 3.359 123.764 120.400 0.008 0.000 2.156 42 K HA 0.187 4.507 4.320 0.000 0.000 0.271 42 K C 0.530 177.145 176.600 0.025 0.000 0.995 42 K CA -0.574 55.734 56.287 0.036 0.000 0.890 42 K CB 1.414 33.949 32.500 0.059 0.000 1.073 42 K HN 0.569 nan 8.250 nan 0.000 0.454 43 K N 1.155 121.571 120.400 0.027 0.000 2.089 43 K HA -0.176 4.144 4.320 0.000 0.000 0.210 43 K C 1.367 177.785 176.600 -0.305 0.000 1.048 43 K CA 1.917 58.113 56.287 -0.151 0.000 0.926 43 K CB -0.129 32.255 32.500 -0.194 0.000 0.714 43 K HN 0.355 nan 8.250 nan 0.000 0.448 44 F N 0.021 119.960 119.950 -0.017 0.000 2.387 44 F HA 0.182 4.709 4.527 0.000 0.000 0.278 44 F C 1.811 177.602 175.800 -0.015 0.000 1.010 44 F CA -0.011 57.980 58.000 -0.015 0.000 1.236 44 F CB -1.114 37.877 39.000 -0.015 0.000 1.137 44 F HN -0.059 nan 8.300 nan 0.000 0.604 45 G N 0.521 109.444 108.800 0.205 0.000 2.699 45 G HA2 0.310 4.270 3.960 0.000 0.000 0.246 45 G HA3 0.310 4.270 3.960 0.000 0.000 0.246 45 G C 0.233 175.165 174.900 0.052 0.000 1.219 45 G CA 0.024 45.182 45.100 0.097 0.000 0.866 45 G HN 0.375 nan 8.290 nan 0.000 0.572 46 S N 0.881 116.599 115.700 0.029 0.000 2.626 46 S HA 0.427 4.897 4.470 0.000 0.000 0.257 46 S C -1.897 172.707 174.600 0.007 0.000 1.288 46 S CA -0.808 57.399 58.200 0.012 0.000 0.980 46 S CB 0.962 64.166 63.200 0.007 0.000 0.975 46 S HN 0.628 nan 8.310 nan 0.000 0.577 47 P HA 0.256 nan 4.420 nan 0.000 0.272 47 P C -0.686 176.611 177.300 -0.005 0.000 1.230 47 P CA -0.152 62.945 63.100 -0.004 0.000 0.788 47 P CB 0.295 31.991 31.700 -0.008 0.000 0.949 48 T N 1.390 115.940 114.554 -0.007 0.000 2.908 48 T HA 0.660 5.010 4.350 0.000 0.000 0.290 48 T C 0.123 174.815 174.700 -0.013 0.000 1.034 48 T CA -0.515 61.578 62.100 -0.011 0.000 1.010 48 T CB 0.893 69.754 68.868 -0.012 0.000 1.068 48 T HN 0.433 nan 8.240 nan 0.000 0.481 49 I N -0.540 120.021 120.570 -0.016 0.000 2.545 49 I HA 0.839 5.009 4.170 0.000 0.000 0.292 49 I C -0.597 175.509 176.117 -0.019 0.000 1.040 49 I CA -0.526 60.764 61.300 -0.015 0.000 1.068 49 I CB 2.284 40.275 38.000 -0.014 0.000 1.251 49 I HN 0.488 nan 8.210 nan 0.000 0.424 50 T N 3.725 118.268 114.554 -0.018 0.000 2.742 50 T HA 0.557 4.907 4.350 0.000 0.000 0.282 50 T C 0.079 174.770 174.700 -0.016 0.000 1.025 50 T CA -0.787 61.300 62.100 -0.021 0.000 1.020 50 T CB 2.022 70.877 68.868 -0.021 0.000 1.317 50 T HN 0.727 nan 8.240 nan 0.000 0.538 51 K N -0.150 120.240 120.400 -0.017 0.000 2.617 51 K HA 0.144 4.464 4.320 0.000 0.000 0.184 51 K C -0.983 175.612 176.600 -0.008 0.000 1.295 51 K CA -0.182 56.099 56.287 -0.010 0.000 1.112 51 K CB 0.829 33.323 32.500 -0.011 0.000 1.069 51 K HN 0.488 nan 8.250 nan 0.000 0.570 52 D N 0.245 120.638 120.400 -0.011 0.000 2.349 52 D HA 0.149 4.789 4.640 0.000 0.000 0.232 52 D C 0.915 177.214 176.300 -0.002 0.000 1.071 52 D CA -0.076 53.920 54.000 -0.005 0.000 0.832 52 D CB 1.735 42.526 40.800 -0.014 0.000 1.086 52 D HN 0.227 nan 8.370 nan 0.000 0.504 53 G N 2.838 111.640 108.800 0.003 0.000 2.446 53 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 53 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 53 G C 1.568 176.470 174.900 0.003 0.000 1.168 53 G CA 1.065 46.166 45.100 0.003 0.000 0.771 53 G HN 0.494 nan 8.290 nan 0.000 0.551 54 V N 0.876 120.794 119.914 0.008 0.000 2.407 54 V HA -0.190 3.930 4.120 0.000 0.000 0.248 54 V C 3.036 179.132 176.094 0.004 0.000 1.055 54 V CA 2.305 64.610 62.300 0.009 0.000 1.049 54 V CB -1.315 30.519 31.823 0.018 0.000 0.662 54 V HN 0.363 nan 8.190 nan 0.000 0.455 55 T N 0.578 115.131 114.554 -0.001 0.000 2.652 55 T HA -0.169 4.181 4.350 0.000 0.000 0.267 55 T C 1.999 176.695 174.700 -0.008 0.000 1.039 55 T CA 1.858 63.953 62.100 -0.009 0.000 1.153 55 T CB -0.327 68.529 68.868 -0.019 0.000 0.863 55 T HN 0.315 nan 8.240 nan 0.000 0.428 56 V N 1.865 121.775 119.914 -0.007 0.000 2.295 56 V HA -0.169 3.951 4.120 0.000 0.000 0.246 56 V C 2.937 179.029 176.094 -0.005 0.000 1.049 56 V CA 1.643 63.939 62.300 -0.006 0.000 1.024 56 V CB -1.377 30.443 31.823 -0.005 0.000 0.648 56 V HN 0.538 nan 8.190 nan 0.000 0.447 57 A N -0.128 122.691 122.820 -0.002 0.000 1.927 57 A HA -0.323 3.997 4.320 0.000 0.000 0.220 57 A C 2.295 179.877 177.584 -0.002 0.000 1.185 57 A CA 2.418 54.454 52.037 -0.001 0.000 0.639 57 A CB -0.560 18.441 19.000 0.001 0.000 0.820 57 A HN 0.566 nan 8.150 nan 0.000 0.451 58 K N -0.644 119.755 120.400 -0.001 0.000 2.063 58 K HA -0.144 4.176 4.320 0.000 0.000 0.208 58 K C 1.536 178.133 176.600 -0.004 0.000 1.048 58 K CA 1.391 57.677 56.287 -0.001 0.000 0.928 58 K CB -0.139 32.361 32.500 -0.000 0.000 0.713 58 K HN 0.385 nan 8.250 nan 0.000 0.442 59 E N 0.596 120.792 120.200 -0.006 0.000 2.511 59 E HA -0.024 4.326 4.350 0.000 0.000 0.196 59 E C -0.185 176.409 176.600 -0.010 0.000 1.066 59 E CA 0.284 56.679 56.400 -0.008 0.000 0.871 59 E CB 0.127 29.822 29.700 -0.008 0.000 0.863 59 E HN -0.016 nan 8.360 nan 0.000 0.520 60 V N 1.951 121.859 119.914 -0.009 0.000 2.368 60 V HA 0.178 4.298 4.120 0.000 0.000 0.266 60 V C 0.072 176.157 176.094 -0.014 0.000 1.045 60 V CA -0.213 62.081 62.300 -0.011 0.000 0.899 60 V CB 0.859 32.676 31.823 -0.009 0.000 1.006 60 V HN 0.014 nan 8.190 nan 0.000 0.470 61 E N 5.021 125.209 120.200 -0.020 0.000 2.260 61 E HA 0.545 4.895 4.350 0.000 0.000 0.266 61 E C -1.372 175.206 176.600 -0.037 0.000 0.887 61 E CA -0.672 55.712 56.400 -0.028 0.000 0.777 61 E CB 1.568 31.250 29.700 -0.029 0.000 1.205 61 E HN 0.593 nan 8.360 nan 0.000 0.414 62 L N 3.569 124.765 121.223 -0.043 0.000 2.379 62 L HA 0.364 4.704 4.340 0.000 0.000 0.269 62 L C 1.400 178.224 176.870 -0.077 0.000 1.084 62 L CA -0.568 54.243 54.840 -0.048 0.000 0.802 62 L CB 1.077 43.114 42.059 -0.037 0.000 1.175 62 L HN 0.705 nan 8.230 nan 0.000 0.448 63 E N 0.176 120.335 120.200 -0.068 0.000 2.047 63 E HA -0.151 4.199 4.350 0.000 0.000 0.191 63 E C 0.335 176.865 176.600 -0.117 0.000 0.987 63 E CA 0.810 57.158 56.400 -0.087 0.000 0.799 63 E CB 0.118 29.786 29.700 -0.053 0.000 0.752 63 E HN 0.597 nan 8.360 nan 0.000 0.449 64 D N 0.044 120.403 120.400 -0.068 0.000 2.417 64 D HA -0.070 4.570 4.640 0.000 0.000 0.250 64 D C 0.886 177.158 176.300 -0.048 0.000 1.166 64 D CA 0.170 54.148 54.000 -0.037 0.000 0.881 64 D CB 0.675 41.474 40.800 -0.002 0.000 1.164 64 D HN 0.172 nan 8.370 nan 0.000 0.467 65 H N 3.894 122.961 119.070 -0.006 0.000 2.265 65 H HA -0.157 4.399 4.556 0.000 0.000 0.295 65 H C 2.001 177.322 175.328 -0.011 0.000 1.084 65 H CA 1.275 57.318 56.048 -0.008 0.000 1.261 65 H CB 0.166 29.922 29.762 -0.010 0.000 1.360 65 H HN 0.499 nan 8.280 nan 0.000 0.487 66 L N 0.699 121.995 121.223 0.122 0.000 1.990 66 L HA -0.215 4.125 4.340 0.000 0.000 0.213 66 L C 2.586 179.474 176.870 0.030 0.000 1.072 66 L CA 1.510 56.382 54.840 0.054 0.000 0.755 66 L CB -0.509 41.569 42.059 0.032 0.000 0.889 66 L HN 0.345 nan 8.230 nan 0.000 0.432 67 E N -0.108 120.105 120.200 0.020 0.000 2.085 67 E HA -0.262 4.089 4.350 0.000 0.000 0.194 67 E C 1.868 178.468 176.600 0.000 0.000 0.994 67 E CA 1.533 57.937 56.400 0.006 0.000 0.801 67 E CB -0.281 29.419 29.700 0.000 0.000 0.743 67 E HN 0.443 nan 8.360 nan 0.000 0.453 68 N N 1.182 119.878 118.700 -0.006 0.000 2.120 68 N HA -0.136 4.604 4.740 0.000 0.000 0.188 68 N C 1.769 177.281 175.510 0.003 0.000 1.024 68 N CA 0.933 53.974 53.050 -0.015 0.000 0.852 68 N CB -0.098 38.361 38.487 -0.047 0.000 1.003 68 N HN 0.083 nan 8.380 nan 0.000 0.424 69 I N -0.191 120.391 120.570 0.020 0.000 2.236 69 I HA -0.258 3.912 4.170 0.000 0.000 0.249 69 I C 2.276 178.398 176.117 0.010 0.000 1.102 69 I CA 1.436 62.749 61.300 0.021 0.000 1.365 69 I CB -0.804 37.211 38.000 0.025 0.000 1.051 69 I HN 0.311 nan 8.210 nan 0.000 0.420 70 G N 0.363 109.167 108.800 0.006 0.000 2.414 70 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 70 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 70 G C 1.894 176.795 174.900 0.002 0.000 1.188 70 G CA 0.780 45.882 45.100 0.003 0.000 0.783 70 G HN 0.488 nan 8.290 nan 0.000 0.537 71 A N 0.079 122.899 122.820 0.000 0.000 1.917 71 A HA -0.137 4.183 4.320 0.000 0.000 0.219 71 A C 2.431 180.015 177.584 0.000 0.000 1.182 71 A CA 2.176 54.212 52.037 -0.002 0.000 0.633 71 A CB -0.403 18.594 19.000 -0.006 0.000 0.819 71 A HN 0.331 nan 8.150 nan 0.000 0.448 72 Q N -0.960 118.841 119.800 0.002 0.000 2.046 72 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 72 Q C 2.110 178.113 176.000 0.005 0.000 0.975 72 Q CA 1.191 56.996 55.803 0.004 0.000 0.836 72 Q CB -0.864 27.879 28.738 0.008 0.000 0.896 72 Q HN 0.542 nan 8.270 nan 0.000 0.428 73 L N 0.601 121.827 121.223 0.005 0.000 2.043 73 L HA -0.193 4.147 4.340 0.000 0.000 0.212 73 L C 2.209 179.081 176.870 0.003 0.000 1.075 73 L CA 1.304 56.146 54.840 0.004 0.000 0.752 73 L CB -0.785 41.275 42.059 0.003 0.000 0.891 73 L HN 0.239 nan 8.230 nan 0.000 0.432 74 L N -0.737 120.488 121.223 0.003 0.000 1.988 74 L HA -0.194 4.146 4.340 0.000 0.000 0.207 74 L C 2.463 179.334 176.870 0.003 0.000 1.071 74 L CA 1.756 56.598 54.840 0.002 0.000 0.744 74 L CB -0.692 41.368 42.059 0.002 0.000 0.893 74 L HN 0.145 nan 8.230 nan 0.000 0.433 75 K N -0.406 119.996 120.400 0.003 0.000 2.089 75 K HA -0.230 4.090 4.320 0.000 0.000 0.210 75 K C 2.007 178.609 176.600 0.004 0.000 1.048 75 K CA 1.794 58.083 56.287 0.003 0.000 0.926 75 K CB -0.337 32.165 32.500 0.003 0.000 0.714 75 K HN 0.428 nan 8.250 nan 0.000 0.448 76 E N 0.559 120.761 120.200 0.004 0.000 2.000 76 E HA -0.176 4.174 4.350 0.000 0.000 0.199 76 E C 2.222 178.824 176.600 0.003 0.000 1.011 76 E CA 1.255 57.657 56.400 0.004 0.000 0.836 76 E CB -0.574 29.130 29.700 0.005 0.000 0.778 76 E HN 0.046 nan 8.360 nan 0.000 0.462 77 V N 1.783 121.699 119.914 0.003 0.000 2.453 77 V HA -0.287 3.833 4.120 0.000 0.000 0.252 77 V C 2.421 178.516 176.094 0.002 0.000 1.068 77 V CA 1.906 64.207 62.300 0.002 0.000 1.070 77 V CB -0.963 30.861 31.823 0.002 0.000 0.664 77 V HN 0.291 nan 8.190 nan 0.000 0.461 78 A N 0.728 123.550 122.820 0.002 0.000 1.898 78 A HA -0.180 4.140 4.320 0.000 0.000 0.216 78 A C 2.555 180.140 177.584 0.002 0.000 1.181 78 A CA 2.071 54.109 52.037 0.002 0.000 0.620 78 A CB -0.703 18.299 19.000 0.003 0.000 0.819 78 A HN 0.687 nan 8.150 nan 0.000 0.442 79 S N 1.024 116.725 115.700 0.002 0.000 2.402 79 S HA -0.182 4.288 4.470 0.000 0.000 0.229 79 S C 1.563 176.163 174.600 -0.000 0.000 1.021 79 S CA 1.219 59.420 58.200 0.002 0.000 0.974 79 S CB -0.611 62.591 63.200 0.003 0.000 0.800 79 S HN 0.727 nan 8.310 nan 0.000 0.484 80 K N 1.058 121.458 120.400 -0.000 0.000 2.773 80 K HA 0.126 4.447 4.320 0.000 0.000 0.222 80 K C 0.556 177.155 176.600 -0.001 0.000 0.985 80 K CA 0.842 57.128 56.287 -0.001 0.000 1.126 80 K CB -0.471 32.029 32.500 0.000 0.000 0.919 80 K HN 0.292 nan 8.250 nan 0.000 0.487 81 T N -0.398 114.155 114.554 -0.002 0.000 3.058 81 T HA -0.016 4.334 4.350 0.000 0.000 0.247 81 T C 1.375 176.073 174.700 -0.004 0.000 0.987 81 T CA -0.137 61.962 62.100 -0.002 0.000 1.062 81 T CB -0.093 68.774 68.868 -0.001 0.000 1.048 81 T HN 0.322 nan 8.240 nan 0.000 0.468 82 N N 1.673 120.371 118.700 -0.003 0.000 2.309 82 N HA -0.108 4.632 4.740 0.000 0.000 0.182 82 N C 0.780 176.285 175.510 -0.009 0.000 1.018 82 N CA 1.003 54.050 53.050 -0.005 0.000 0.876 82 N CB -0.097 38.390 38.487 -0.000 0.000 0.972 82 N HN 0.220 nan 8.380 nan 0.000 0.434 83 D N -0.582 119.813 120.400 -0.009 0.000 2.310 83 D HA -0.022 4.618 4.640 0.000 0.000 0.212 83 D C 1.284 177.576 176.300 -0.013 0.000 0.965 83 D CA 0.570 54.562 54.000 -0.013 0.000 0.879 83 D CB 0.393 41.186 40.800 -0.011 0.000 0.921 83 D HN 0.134 nan 8.370 nan 0.000 0.510 84 V N -1.019 118.889 119.914 -0.009 0.000 3.432 84 V HA 0.480 4.600 4.120 0.000 0.000 0.298 84 V C 1.023 177.112 176.094 -0.009 0.000 1.464 84 V CA 0.511 62.806 62.300 -0.008 0.000 1.046 84 V CB 0.878 32.700 31.823 -0.003 0.000 0.887 84 V HN 0.170 nan 8.190 nan 0.000 0.441 85 A N -0.685 122.129 122.820 -0.011 0.000 2.732 85 A HA 0.540 4.860 4.320 0.000 0.000 0.201 85 A C 1.528 179.102 177.584 -0.017 0.000 1.390 85 A CA 0.691 52.720 52.037 -0.012 0.000 1.064 85 A CB 0.253 19.248 19.000 -0.009 0.000 1.348 85 A HN 1.274 nan 8.150 nan 0.000 0.565 86 G N -0.243 108.546 108.800 -0.017 0.000 2.198 86 G HA2 -0.069 3.891 3.960 0.000 0.000 0.260 86 G HA3 -0.069 3.891 3.960 0.000 0.000 0.260 86 G C -0.215 174.674 174.900 -0.019 0.000 1.025 86 G CA 1.181 46.268 45.100 -0.022 0.000 0.769 86 G HN 1.139 nan 8.290 nan 0.000 0.507 87 D N -3.332 117.061 120.400 -0.011 0.000 2.913 87 D HA 0.544 5.184 4.640 0.000 0.000 0.293 87 D C 0.814 177.112 176.300 -0.004 0.000 1.238 87 D CA 1.373 55.368 54.000 -0.007 0.000 0.738 87 D CB -0.287 40.505 40.800 -0.012 0.000 1.254 87 D HN 1.485 nan 8.370 nan 0.000 0.429 88 G N -0.030 108.769 108.800 -0.002 0.000 2.147 88 G HA2 -0.282 3.678 3.960 0.000 0.000 0.244 88 G HA3 -0.282 3.678 3.960 0.000 0.000 0.244 88 G C 0.955 175.856 174.900 0.000 0.000 1.005 88 G CA 1.196 46.295 45.100 -0.002 0.000 0.713 88 G HN 0.614 nan 8.290 nan 0.000 0.515 89 T N -0.891 113.665 114.554 0.002 0.000 2.896 89 T HA 0.008 4.358 4.350 0.000 0.000 0.263 89 T C 2.581 177.283 174.700 0.003 0.000 1.050 89 T CA 2.577 64.679 62.100 0.003 0.000 1.140 89 T CB -0.174 68.697 68.868 0.005 0.000 0.877 89 T HN 0.368 nan 8.240 nan 0.000 0.457 90 T N 1.005 115.561 114.554 0.004 0.000 2.737 90 T HA -0.065 4.285 4.350 0.000 0.000 0.265 90 T C 2.106 176.807 174.700 0.002 0.000 1.038 90 T CA 1.750 63.852 62.100 0.003 0.000 1.144 90 T CB -0.760 68.110 68.868 0.004 0.000 0.866 90 T HN 0.358 nan 8.240 nan 0.000 0.434 91 T N 1.835 116.390 114.554 0.001 0.000 2.720 91 T HA -0.095 4.255 4.350 0.000 0.000 0.268 91 T C 2.251 176.953 174.700 0.002 0.000 1.037 91 T CA 1.264 63.365 62.100 0.001 0.000 1.144 91 T CB -0.473 68.394 68.868 -0.000 0.000 0.864 91 T HN 0.423 nan 8.240 nan 0.000 0.444 92 A N 0.727 123.548 122.820 0.002 0.000 1.969 92 A HA -0.091 4.230 4.320 0.000 0.000 0.218 92 A C 2.511 180.097 177.584 0.003 0.000 1.169 92 A CA 1.993 54.031 52.037 0.002 0.000 0.635 92 A CB -0.979 18.022 19.000 0.002 0.000 0.810 92 A HN 0.494 nan 8.150 nan 0.000 0.445 93 T N -0.381 114.174 114.554 0.003 0.000 2.701 93 T HA -0.114 4.236 4.350 0.000 0.000 0.263 93 T C 1.905 176.607 174.700 0.004 0.000 1.040 93 T CA 1.504 63.606 62.100 0.003 0.000 1.147 93 T CB -0.557 68.312 68.868 0.003 0.000 0.865 93 T HN 0.132 nan 8.240 nan 0.000 0.426 94 V N 1.928 121.845 119.914 0.004 0.000 2.231 94 V HA -0.213 3.907 4.120 0.000 0.000 0.250 94 V C 2.578 178.675 176.094 0.005 0.000 1.058 94 V CA 1.811 64.114 62.300 0.005 0.000 1.022 94 V CB -0.849 30.977 31.823 0.005 0.000 0.640 94 V HN 0.441 nan 8.190 nan 0.000 0.445 95 L N -0.080 121.146 121.223 0.005 0.000 2.043 95 L HA -0.252 4.088 4.340 0.000 0.000 0.212 95 L C 2.695 179.568 176.870 0.005 0.000 1.075 95 L CA 1.830 56.673 54.840 0.005 0.000 0.752 95 L CB -0.919 41.143 42.059 0.005 0.000 0.891 95 L HN 0.413 nan 8.230 nan 0.000 0.432 96 A N -0.736 122.087 122.820 0.005 0.000 1.933 96 A HA -0.269 4.051 4.320 0.000 0.000 0.218 96 A C 2.275 179.862 177.584 0.005 0.000 1.175 96 A CA 1.768 53.807 52.037 0.004 0.000 0.628 96 A CB -0.538 18.464 19.000 0.004 0.000 0.814 96 A HN 0.497 nan 8.150 nan 0.000 0.444 97 Q N -0.462 119.340 119.800 0.005 0.000 2.002 97 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 97 Q C 2.301 178.305 176.000 0.005 0.000 0.988 97 Q CA 1.918 57.724 55.803 0.005 0.000 0.843 97 Q CB -0.410 28.331 28.738 0.005 0.000 0.908 97 Q HN 0.596 nan 8.270 nan 0.000 0.420 98 A N 1.097 123.921 122.820 0.006 0.000 1.859 98 A HA -0.264 4.057 4.320 0.000 0.000 0.218 98 A C 2.046 179.634 177.584 0.006 0.000 1.209 98 A CA 2.013 54.054 52.037 0.006 0.000 0.639 98 A CB -1.181 17.823 19.000 0.007 0.000 0.835 98 A HN 0.554 nan 8.150 nan 0.000 0.450 99 I N -0.373 120.201 120.570 0.006 0.000 2.185 99 I HA -0.285 3.885 4.170 0.000 0.000 0.246 99 I C 2.368 178.489 176.117 0.006 0.000 1.088 99 I CA 1.621 62.925 61.300 0.006 0.000 1.347 99 I CB -0.532 37.472 38.000 0.006 0.000 1.041 99 I HN 0.202 nan 8.210 nan 0.000 0.415 100 V N 0.515 120.432 119.914 0.006 0.000 2.295 100 V HA -0.278 3.842 4.120 0.000 0.000 0.246 100 V C 2.593 178.691 176.094 0.007 0.000 1.049 100 V CA 1.840 64.144 62.300 0.006 0.000 1.024 100 V CB -0.770 31.056 31.823 0.005 0.000 0.648 100 V HN 0.382 nan 8.190 nan 0.000 0.447 101 R N 0.096 120.600 120.500 0.006 0.000 2.127 101 R HA -0.188 4.152 4.340 0.000 0.000 0.228 101 R C 2.477 178.782 176.300 0.007 0.000 1.125 101 R CA 2.031 58.135 56.100 0.007 0.000 0.904 101 R CB -0.362 29.942 30.300 0.006 0.000 0.831 101 R HN 0.447 nan 8.270 nan 0.000 0.431 102 E N -0.427 119.778 120.200 0.007 0.000 2.114 102 E HA -0.188 4.162 4.350 0.000 0.000 0.199 102 E C 1.890 178.495 176.600 0.007 0.000 1.008 102 E CA 1.533 57.938 56.400 0.007 0.000 0.810 102 E CB -0.699 29.005 29.700 0.007 0.000 0.739 102 E HN 0.650 nan 8.360 nan 0.000 0.456 103 G N 1.160 109.964 108.800 0.007 0.000 2.421 103 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 103 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 103 G C 1.747 176.652 174.900 0.008 0.000 1.171 103 G CA 0.705 45.809 45.100 0.008 0.000 0.775 103 G HN 0.210 nan 8.290 nan 0.000 0.543 104 L N 0.130 121.358 121.223 0.009 0.000 2.141 104 L HA 0.005 4.345 4.340 0.000 0.000 0.209 104 L C 2.769 179.645 176.870 0.010 0.000 1.094 104 L CA 1.246 56.092 54.840 0.010 0.000 0.763 104 L CB -0.323 41.742 42.059 0.010 0.000 0.908 104 L HN 0.263 nan 8.230 nan 0.000 0.437 105 K N 0.598 121.003 120.400 0.008 0.000 1.991 105 K HA -0.199 4.121 4.320 0.000 0.000 0.212 105 K C 1.921 178.526 176.600 0.008 0.000 1.049 105 K CA 1.685 57.977 56.287 0.008 0.000 0.932 105 K CB -0.067 32.438 32.500 0.007 0.000 0.717 105 K HN 0.273 nan 8.250 nan 0.000 0.441 106 N N 0.418 119.122 118.700 0.008 0.000 2.205 106 N HA -0.141 4.599 4.740 0.000 0.000 0.186 106 N C 1.774 177.289 175.510 0.008 0.000 1.015 106 N CA 1.278 54.332 53.050 0.007 0.000 0.862 106 N CB -0.011 38.480 38.487 0.007 0.000 0.986 106 N HN 0.072 nan 8.380 nan 0.000 0.429 107 V N 1.367 121.287 119.914 0.009 0.000 2.548 107 V HA -0.112 4.009 4.120 0.000 0.000 0.249 107 V C 2.317 178.418 176.094 0.010 0.000 1.055 107 V CA 1.534 63.840 62.300 0.010 0.000 1.065 107 V CB -0.593 31.237 31.823 0.012 0.000 0.681 107 V HN 0.263 nan 8.190 nan 0.000 0.462 108 A N -0.268 122.559 122.820 0.010 0.000 2.119 108 A HA 0.222 4.542 4.320 0.000 0.000 0.216 108 A C 2.100 179.689 177.584 0.008 0.000 1.152 108 A CA 1.254 53.297 52.037 0.010 0.000 0.708 108 A CB -0.304 18.702 19.000 0.010 0.000 0.805 108 A HN 0.535 nan 8.150 nan 0.000 0.460 109 A N -1.833 120.992 122.820 0.008 0.000 2.307 109 A HA 0.458 4.778 4.320 0.000 0.000 0.218 109 A C 1.547 179.134 177.584 0.006 0.000 1.228 109 A CA 1.019 53.060 52.037 0.006 0.000 0.857 109 A CB -0.648 18.356 19.000 0.006 0.000 0.897 109 A HN 1.685 nan 8.150 nan 0.000 0.495 110 G N -1.941 106.863 108.800 0.007 0.000 2.179 110 G HA2 0.131 4.091 3.960 0.000 0.000 0.220 110 G HA3 0.131 4.091 3.960 0.000 0.000 0.220 110 G C 0.469 175.373 174.900 0.006 0.000 0.990 110 G CA 0.063 45.167 45.100 0.006 0.000 0.646 110 G HN 1.524 nan 8.290 nan 0.000 0.517 111 A N -0.031 122.793 122.820 0.007 0.000 2.445 111 A HA 0.571 4.891 4.320 0.000 0.000 0.242 111 A C 0.463 178.052 177.584 0.008 0.000 1.075 111 A CA 0.633 52.675 52.037 0.007 0.000 0.777 111 A CB 0.254 19.258 19.000 0.007 0.000 1.013 111 A HN 0.935 nan 8.150 nan 0.000 0.493 112 N N 1.982 120.686 118.700 0.007 0.000 2.430 112 N HA 0.303 5.043 4.740 0.000 0.000 0.265 112 N C -1.952 173.562 175.510 0.008 0.000 1.100 112 N CA -1.792 51.263 53.050 0.008 0.000 0.961 112 N CB 1.018 39.510 38.487 0.007 0.000 1.075 112 N HN 0.182 nan 8.380 nan 0.000 0.478 113 P HA -0.182 nan 4.420 nan 0.000 0.214 113 P C 1.330 178.635 177.300 0.008 0.000 1.163 113 P CA 1.342 64.448 63.100 0.010 0.000 0.889 113 P CB 0.175 31.882 31.700 0.012 0.000 0.790 114 L N -1.034 120.194 121.223 0.008 0.000 2.013 114 L HA -0.244 4.096 4.340 0.000 0.000 0.212 114 L C 2.522 179.396 176.870 0.006 0.000 1.073 114 L CA 1.974 56.818 54.840 0.007 0.000 0.753 114 L CB -1.528 40.536 42.059 0.007 0.000 0.890 114 L HN -0.023 nan 8.230 nan 0.000 0.432 115 A N 0.257 123.081 122.820 0.006 0.000 1.908 115 A HA -0.178 4.143 4.320 0.000 0.000 0.218 115 A C 2.289 179.877 177.584 0.006 0.000 1.181 115 A CA 1.522 53.562 52.037 0.005 0.000 0.627 115 A CB -0.736 18.268 19.000 0.005 0.000 0.818 115 A HN 0.371 nan 8.150 nan 0.000 0.445 116 L N -0.765 120.462 121.223 0.006 0.000 2.042 116 L HA -0.233 4.107 4.340 0.000 0.000 0.210 116 L C 2.629 179.503 176.870 0.006 0.000 1.076 116 L CA 2.030 56.874 54.840 0.006 0.000 0.749 116 L CB -0.452 41.611 42.059 0.007 0.000 0.893 116 L HN 0.510 nan 8.230 nan 0.000 0.432 117 K N 0.578 120.982 120.400 0.006 0.000 1.973 117 K HA -0.205 4.115 4.320 0.000 0.000 0.212 117 K C 2.241 178.844 176.600 0.005 0.000 1.047 117 K CA 1.489 57.779 56.287 0.005 0.000 0.937 117 K CB -0.077 32.426 32.500 0.005 0.000 0.721 117 K HN 0.095 nan 8.250 nan 0.000 0.440 118 R N -0.421 120.082 120.500 0.005 0.000 2.165 118 R HA -0.199 4.141 4.340 0.000 0.000 0.254 118 R C 2.456 178.759 176.300 0.004 0.000 1.153 118 R CA 1.720 57.822 56.100 0.004 0.000 0.971 118 R CB -0.811 29.492 30.300 0.004 0.000 0.878 118 R HN 0.486 nan 8.270 nan 0.000 0.449 119 G N 0.672 109.475 108.800 0.005 0.000 2.403 119 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 119 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 119 G C 1.455 176.358 174.900 0.005 0.000 1.154 119 G CA 0.375 45.478 45.100 0.005 0.000 0.784 119 G HN 0.174 nan 8.290 nan 0.000 0.538 120 I N 0.696 121.269 120.570 0.005 0.000 2.286 120 I HA -0.137 4.033 4.170 0.000 0.000 0.248 120 I C 2.695 178.815 176.117 0.005 0.000 1.115 120 I CA 1.073 62.376 61.300 0.005 0.000 1.392 120 I CB -0.219 37.784 38.000 0.005 0.000 1.065 120 I HN 0.290 nan 8.210 nan 0.000 0.418 121 E N 1.265 121.468 120.200 0.005 0.000 2.015 121 E HA -0.206 4.144 4.350 0.000 0.000 0.191 121 E C 2.134 178.737 176.600 0.004 0.000 0.991 121 E CA 1.052 57.454 56.400 0.004 0.000 0.802 121 E CB -0.143 29.559 29.700 0.003 0.000 0.759 121 E HN 0.428 nan 8.360 nan 0.000 0.447 122 K N 0.834 121.237 120.400 0.004 0.000 2.113 122 K HA -0.188 4.132 4.320 0.000 0.000 0.208 122 K C 2.244 178.847 176.600 0.005 0.000 1.047 122 K CA 1.203 57.493 56.287 0.005 0.000 0.928 122 K CB -0.248 32.255 32.500 0.005 0.000 0.716 122 K HN 0.081 nan 8.250 nan 0.000 0.446 123 A N 1.188 124.012 122.820 0.006 0.000 1.858 123 A HA -0.135 4.185 4.320 0.000 0.000 0.216 123 A C 2.450 180.038 177.584 0.007 0.000 1.190 123 A CA 1.522 53.563 52.037 0.007 0.000 0.617 123 A CB -0.768 18.236 19.000 0.007 0.000 0.827 123 A HN 0.072 nan 8.150 nan 0.000 0.443 124 V N 0.148 120.065 119.914 0.006 0.000 2.255 124 V HA -0.321 3.799 4.120 0.000 0.000 0.247 124 V C 2.423 178.520 176.094 0.006 0.000 1.051 124 V CA 2.435 64.739 62.300 0.006 0.000 1.018 124 V CB -0.961 30.865 31.823 0.005 0.000 0.641 124 V HN 0.653 nan 8.190 nan 0.000 0.445 125 E N 0.146 120.349 120.200 0.005 0.000 2.055 125 E HA -0.346 4.004 4.350 0.000 0.000 0.209 125 E C 2.320 178.924 176.600 0.006 0.000 1.036 125 E CA 1.723 58.126 56.400 0.005 0.000 0.849 125 E CB -0.491 29.212 29.700 0.005 0.000 0.767 125 E HN 0.587 nan 8.360 nan 0.000 0.461 126 A N 1.213 124.037 122.820 0.007 0.000 1.958 126 A HA -0.261 4.059 4.320 0.000 0.000 0.221 126 A C 2.358 179.947 177.584 0.008 0.000 1.178 126 A CA 2.293 54.335 52.037 0.007 0.000 0.642 126 A CB -0.812 18.192 19.000 0.008 0.000 0.816 126 A HN 0.362 nan 8.150 nan 0.000 0.453 127 A N -0.809 122.016 122.820 0.008 0.000 1.873 127 A HA 0.039 4.359 4.320 0.000 0.000 0.215 127 A C 2.255 179.845 177.584 0.009 0.000 1.186 127 A CA 1.739 53.782 52.037 0.009 0.000 0.616 127 A CB -0.980 18.025 19.000 0.009 0.000 0.823 127 A HN 0.420 nan 8.150 nan 0.000 0.442 128 V N 0.105 120.024 119.914 0.008 0.000 2.255 128 V HA -0.306 3.814 4.120 0.000 0.000 0.247 128 V C 2.525 178.623 176.094 0.008 0.000 1.051 128 V CA 2.404 64.708 62.300 0.007 0.000 1.018 128 V CB -0.849 30.978 31.823 0.006 0.000 0.641 128 V HN 0.784 nan 8.190 nan 0.000 0.445 129 E N 0.133 120.337 120.200 0.007 0.000 2.187 129 E HA -0.341 4.009 4.350 0.000 0.000 0.199 129 E C 2.112 178.717 176.600 0.009 0.000 1.004 129 E CA 1.834 58.238 56.400 0.008 0.000 0.813 129 E CB -0.046 29.658 29.700 0.007 0.000 0.736 129 E HN 0.502 nan 8.360 nan 0.000 0.468 130 K N 0.521 120.927 120.400 0.010 0.000 2.116 130 K HA -0.028 4.292 4.320 0.000 0.000 0.203 130 K C 1.806 178.413 176.600 0.012 0.000 1.052 130 K CA 1.004 57.298 56.287 0.012 0.000 0.952 130 K CB -0.152 32.356 32.500 0.013 0.000 0.729 130 K HN 0.187 nan 8.250 nan 0.000 0.446 131 I N 0.754 121.330 120.570 0.011 0.000 2.179 131 I HA -0.310 3.860 4.170 0.000 0.000 0.242 131 I C 2.093 178.216 176.117 0.009 0.000 1.088 131 I CA 1.380 62.686 61.300 0.010 0.000 1.357 131 I CB -0.276 37.728 38.000 0.008 0.000 1.051 131 I HN 0.147 nan 8.210 nan 0.000 0.409 132 K N 1.234 121.639 120.400 0.008 0.000 1.978 132 K HA -0.143 4.177 4.320 0.000 0.000 0.214 132 K C 2.168 178.773 176.600 0.009 0.000 1.049 132 K CA 1.676 57.968 56.287 0.008 0.000 0.939 132 K CB -0.448 32.056 32.500 0.007 0.000 0.721 132 K HN 0.280 nan 8.250 nan 0.000 0.441 133 A N 0.836 123.662 122.820 0.009 0.000 2.234 133 A HA -0.121 4.199 4.320 0.000 0.000 0.216 133 A C 1.762 179.353 177.584 0.012 0.000 1.167 133 A CA 1.081 53.124 52.037 0.010 0.000 0.698 133 A CB -0.222 18.784 19.000 0.010 0.000 0.779 133 A HN 0.229 nan 8.150 nan 0.000 0.475 134 L N -2.023 119.207 121.223 0.012 0.000 2.731 134 L HA 0.488 4.829 4.340 0.000 0.000 0.240 134 L C 1.091 177.969 176.870 0.013 0.000 1.120 134 L CA 0.605 55.454 54.840 0.015 0.000 0.913 134 L CB -0.104 41.965 42.059 0.017 0.000 1.213 134 L HN 0.236 nan 8.230 nan 0.000 0.515 135 A N 0.340 123.166 122.820 0.010 0.000 2.363 135 A HA 0.489 4.809 4.320 0.000 0.000 0.270 135 A C -0.113 177.476 177.584 0.007 0.000 1.121 135 A CA -0.276 51.766 52.037 0.008 0.000 0.800 135 A CB -0.159 18.845 19.000 0.006 0.000 1.052 135 A HN 0.211 nan 8.150 nan 0.000 0.493 136 I N 3.825 124.399 120.570 0.007 0.000 2.352 136 I HA 0.220 4.390 4.170 0.000 0.000 0.290 136 I C -2.120 174.000 176.117 0.004 0.000 1.036 136 I CA -1.809 59.495 61.300 0.006 0.000 1.336 136 I CB 1.386 39.390 38.000 0.006 0.000 1.407 136 I HN 0.420 nan 8.210 nan 0.000 0.497 137 P HA 0.098 nan 4.420 nan 0.000 0.271 137 P C -0.782 176.519 177.300 0.002 0.000 1.216 137 P CA -0.130 62.972 63.100 0.003 0.000 0.776 137 P CB 0.797 32.499 31.700 0.003 0.000 0.881 138 V N 4.009 123.923 119.914 0.001 0.000 2.289 138 V HA 0.206 4.326 4.120 0.000 0.000 0.272 138 V C 0.579 176.672 176.094 -0.001 0.000 1.026 138 V CA 0.134 62.434 62.300 -0.001 0.000 0.807 138 V CB 0.513 32.335 31.823 -0.002 0.000 1.044 138 V HN 0.623 nan 8.190 nan 0.000 0.443 139 E N 0.755 120.955 120.200 0.000 0.000 2.603 139 E HA 0.134 4.484 4.350 0.000 0.000 0.218 139 E C -0.121 176.480 176.600 0.001 0.000 0.878 139 E CA -0.415 55.986 56.400 0.001 0.000 1.348 139 E CB 0.832 30.533 29.700 0.002 0.000 1.318 139 E HN 0.608 nan 8.360 nan 0.000 0.673 140 D N 1.295 121.696 120.400 0.001 0.000 2.372 140 D HA -0.001 4.639 4.640 0.000 0.000 0.243 140 D C 1.165 177.465 176.300 -0.000 0.000 1.297 140 D CA 0.213 54.213 54.000 0.000 0.000 0.958 140 D CB 1.006 41.806 40.800 0.000 0.000 1.114 140 D HN -0.067 nan 8.370 nan 0.000 0.496 141 R N 0.861 121.361 120.500 -0.000 0.000 2.055 141 R HA -0.050 4.290 4.340 0.000 0.000 0.226 141 R C 1.762 178.061 176.300 -0.002 0.000 1.135 141 R CA 1.517 57.617 56.100 -0.000 0.000 0.959 141 R CB -0.215 30.085 30.300 -0.000 0.000 0.854 141 R HN 0.256 nan 8.270 nan 0.000 0.431 142 K N 0.364 120.763 120.400 -0.002 0.000 2.057 142 K HA -0.067 4.254 4.320 0.000 0.000 0.207 142 K C 2.090 178.688 176.600 -0.003 0.000 1.049 142 K CA 1.422 57.708 56.287 -0.003 0.000 0.931 142 K CB -0.329 32.170 32.500 -0.002 0.000 0.714 142 K HN 0.285 nan 8.250 nan 0.000 0.440 143 A N 2.141 124.960 122.820 -0.002 0.000 1.848 143 A HA -0.233 4.087 4.320 0.000 0.000 0.217 143 A C 2.155 179.736 177.584 -0.005 0.000 1.220 143 A CA 1.825 53.860 52.037 -0.003 0.000 0.645 143 A CB -0.997 18.002 19.000 -0.001 0.000 0.842 143 A HN 0.220 nan 8.150 nan 0.000 0.451 144 I N -0.622 119.945 120.570 -0.005 0.000 2.236 144 I HA -0.333 3.837 4.170 0.000 0.000 0.249 144 I C 2.638 178.749 176.117 -0.010 0.000 1.102 144 I CA 2.089 63.384 61.300 -0.007 0.000 1.365 144 I CB -0.480 37.517 38.000 -0.006 0.000 1.051 144 I HN 0.607 nan 8.210 nan 0.000 0.420 145 E N 1.060 121.254 120.200 -0.010 0.000 2.028 145 E HA -0.225 4.125 4.350 0.000 0.000 0.191 145 E C 2.072 178.664 176.600 -0.014 0.000 0.988 145 E CA 1.240 57.632 56.400 -0.014 0.000 0.799 145 E CB 0.054 29.747 29.700 -0.012 0.000 0.755 145 E HN 0.490 nan 8.360 nan 0.000 0.447 146 E N 0.079 120.274 120.200 -0.009 0.000 2.058 146 E HA -0.208 4.142 4.350 0.000 0.000 0.194 146 E C 2.238 178.834 176.600 -0.007 0.000 0.997 146 E CA 1.472 57.868 56.400 -0.007 0.000 0.801 146 E CB -0.065 29.632 29.700 -0.005 0.000 0.746 146 E HN 0.127 nan 8.360 nan 0.000 0.450 147 V N 1.597 121.507 119.914 -0.008 0.000 2.219 147 V HA -0.349 3.771 4.120 0.000 0.000 0.248 147 V C 2.408 178.497 176.094 -0.008 0.000 1.053 147 V CA 2.161 64.456 62.300 -0.008 0.000 1.009 147 V CB -0.901 30.917 31.823 -0.008 0.000 0.636 147 V HN 0.385 nan 8.190 nan 0.000 0.445 148 A N -0.602 122.211 122.820 -0.012 0.000 1.908 148 A HA -0.268 4.052 4.320 0.000 0.000 0.218 148 A C 2.358 179.937 177.584 -0.009 0.000 1.181 148 A CA 2.665 54.694 52.037 -0.014 0.000 0.627 148 A CB -1.115 17.869 19.000 -0.027 0.000 0.818 148 A HN 0.555 nan 8.150 nan 0.000 0.445 149 T N 0.410 114.956 114.554 -0.012 0.000 2.720 149 T HA -0.148 4.203 4.350 0.000 0.000 0.268 149 T C 1.773 176.478 174.700 0.008 0.000 1.037 149 T CA 1.660 63.756 62.100 -0.007 0.000 1.144 149 T CB -0.437 68.425 68.868 -0.009 0.000 0.864 149 T HN 0.480 nan 8.240 nan 0.000 0.444 150 I N 1.607 122.180 120.570 0.005 0.000 2.162 150 I HA -0.139 4.031 4.170 0.000 0.000 0.238 150 I C 2.685 178.810 176.117 0.014 0.000 1.076 150 I CA 1.236 62.540 61.300 0.007 0.000 1.353 150 I CB -0.594 37.405 38.000 -0.002 0.000 1.063 150 I HN 0.237 nan 8.210 nan 0.000 0.408 151 S N 1.279 116.986 115.700 0.011 0.000 2.465 151 S HA -0.112 4.358 4.470 0.000 0.000 0.241 151 S C 1.814 176.441 174.600 0.044 0.000 1.000 151 S CA 1.074 59.283 58.200 0.015 0.000 0.964 151 S CB -0.419 62.783 63.200 0.004 0.000 0.763 151 S HN 0.528 nan 8.310 nan 0.000 0.512 152 A N 1.372 124.234 122.820 0.070 0.000 2.108 152 A HA 0.350 4.670 4.320 0.000 0.000 0.206 152 A C 0.915 178.592 177.584 0.156 0.000 1.212 152 A CA 0.270 52.403 52.037 0.160 0.000 0.843 152 A CB -0.374 18.722 19.000 0.161 0.000 0.902 152 A HN 0.566 nan 8.150 nan 0.000 0.477 153 N N 0.045 118.797 118.700 0.087 0.000 2.780 153 N HA -0.164 4.576 4.740 0.000 0.000 0.247 153 N C -1.433 174.134 175.510 0.095 0.000 1.076 153 N CA 0.750 53.841 53.050 0.069 0.000 0.688 153 N CB -0.630 37.890 38.487 0.055 0.000 0.957 153 N HN 0.448 nan 8.380 nan 0.000 0.551 154 D N -0.729 119.718 120.400 0.079 0.000 2.369 154 D HA 0.120 4.760 4.640 0.000 0.000 0.212 154 D C -1.990 174.311 176.300 0.002 0.000 1.326 154 D CA -0.939 53.099 54.000 0.063 0.000 0.933 154 D CB 1.498 42.371 40.800 0.123 0.000 1.516 154 D HN 0.024 nan 8.370 nan 0.000 0.557 155 P HA -0.124 nan 4.420 nan 0.000 0.220 155 P C 0.891 178.170 177.300 -0.036 0.000 1.148 155 P CA 1.002 64.092 63.100 -0.016 0.000 0.803 155 P CB 0.868 32.564 31.700 -0.006 0.000 0.782 156 E N 0.133 120.306 120.200 -0.046 0.000 2.006 156 E HA -0.080 4.270 4.350 0.000 0.000 0.192 156 E C 2.193 178.718 176.600 -0.125 0.000 0.993 156 E CA 1.060 57.419 56.400 -0.068 0.000 0.808 156 E CB -0.718 28.947 29.700 -0.058 0.000 0.764 156 E HN 0.014 nan 8.360 nan 0.000 0.449 157 V N 1.512 121.297 119.914 -0.215 0.000 2.568 157 V HA -0.220 3.900 4.120 0.000 0.000 0.253 157 V C 2.315 178.280 176.094 -0.215 0.000 1.072 157 V CA 1.862 63.946 62.300 -0.362 0.000 1.084 157 V CB -1.212 30.158 31.823 -0.756 0.000 0.676 157 V HN 0.420 nan 8.190 nan 0.000 0.469 158 G N -0.263 108.460 108.800 -0.129 0.000 2.421 158 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 158 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 158 G C 1.690 176.551 174.900 -0.065 0.000 1.171 158 G CA 0.654 45.708 45.100 -0.076 0.000 0.775 158 G HN 0.347 nan 8.290 nan 0.000 0.543 159 K N 0.291 120.655 120.400 -0.059 0.000 1.991 159 K HA -0.003 4.317 4.320 0.000 0.000 0.212 159 K C 2.633 179.209 176.600 -0.040 0.000 1.049 159 K CA 0.876 57.139 56.287 -0.040 0.000 0.932 159 K CB -0.921 31.559 32.500 -0.033 0.000 0.717 159 K HN 0.341 nan 8.250 nan 0.000 0.441 160 L N 0.742 121.925 121.223 -0.065 0.000 1.997 160 L HA -0.252 4.088 4.340 0.000 0.000 0.216 160 L C 2.547 179.380 176.870 -0.063 0.000 1.074 160 L CA 1.474 56.277 54.840 -0.062 0.000 0.763 160 L CB -0.636 41.355 42.059 -0.113 0.000 0.890 160 L HN 0.173 nan 8.230 nan 0.000 0.434 161 I N -0.239 120.276 120.570 -0.092 0.000 2.208 161 I HA -0.322 3.849 4.170 0.000 0.000 0.245 161 I C 2.828 178.920 176.117 -0.041 0.000 1.097 161 I CA 1.237 62.492 61.300 -0.076 0.000 1.363 161 I CB -0.553 37.399 38.000 -0.080 0.000 1.051 161 I HN 0.260 nan 8.210 nan 0.000 0.413 162 A N 0.807 123.609 122.820 -0.030 0.000 1.858 162 A HA -0.232 4.088 4.320 0.000 0.000 0.216 162 A C 2.016 179.608 177.584 0.013 0.000 1.190 162 A CA 2.065 54.096 52.037 -0.010 0.000 0.617 162 A CB -0.657 18.336 19.000 -0.010 0.000 0.827 162 A HN 0.359 nan 8.150 nan 0.000 0.443 163 D N 0.249 120.665 120.400 0.027 0.000 2.092 163 D HA -0.131 4.509 4.640 0.000 0.000 0.193 163 D C 2.282 178.663 176.300 0.134 0.000 0.994 163 D CA 1.686 55.734 54.000 0.079 0.000 0.828 163 D CB -0.678 40.181 40.800 0.098 0.000 0.963 163 D HN 0.417 nan 8.370 nan 0.000 0.450 164 A N 1.144 124.010 122.820 0.076 0.000 1.927 164 A HA -0.246 4.074 4.320 0.000 0.000 0.220 164 A C 2.332 179.931 177.584 0.024 0.000 1.185 164 A CA 2.039 54.073 52.037 -0.006 0.000 0.639 164 A CB -0.674 18.244 19.000 -0.137 0.000 0.820 164 A HN 0.196 nan 8.150 nan 0.000 0.451 165 M N -1.278 118.330 119.600 0.013 0.000 2.156 165 M HA -0.115 4.365 4.480 0.000 0.000 0.264 165 M C 2.086 178.411 176.300 0.041 0.000 1.067 165 M CA 1.265 56.573 55.300 0.014 0.000 1.131 165 M CB -0.533 32.066 32.600 -0.001 0.000 1.368 165 M HN 0.391 nan 8.290 nan 0.000 0.416 166 E N 1.107 121.338 120.200 0.051 0.000 2.086 166 E HA -0.222 4.128 4.350 0.000 0.000 0.200 166 E C 1.883 178.524 176.600 0.068 0.000 1.012 166 E CA 1.579 58.009 56.400 0.050 0.000 0.812 166 E CB -0.202 29.526 29.700 0.046 0.000 0.743 166 E HN 0.582 nan 8.360 nan 0.000 0.453 167 K N 0.035 120.512 120.400 0.129 0.000 2.078 167 K HA 0.019 4.340 4.320 0.000 0.000 0.203 167 K C 2.275 178.971 176.600 0.159 0.000 1.043 167 K CA 0.768 57.148 56.287 0.155 0.000 0.960 167 K CB -0.015 32.636 32.500 0.253 0.000 0.761 167 K HN -0.079 nan 8.250 nan 0.000 0.448 168 V N 0.940 120.961 119.914 0.179 0.000 2.626 168 V HA -0.037 4.084 4.120 0.000 0.000 0.252 168 V C 1.068 177.194 176.094 0.053 0.000 1.067 168 V CA 1.071 63.435 62.300 0.107 0.000 1.081 168 V CB -1.181 30.668 31.823 0.042 0.000 0.686 168 V HN 0.651 nan 8.190 nan 0.000 0.468 169 G N -0.036 108.789 108.800 0.043 0.000 2.756 169 G HA2 -0.200 3.760 3.960 0.000 0.000 0.678 169 G HA3 -0.200 3.760 3.960 0.000 0.000 0.678 169 G C 0.258 175.163 174.900 0.008 0.000 1.349 169 G CA 0.091 45.205 45.100 0.023 0.000 0.847 169 G HN 0.199 nan 8.290 nan 0.000 0.548 170 K N 0.212 120.614 120.400 0.003 0.000 1.991 170 K HA -0.086 4.234 4.320 0.000 0.000 0.212 170 K C 1.873 178.467 176.600 -0.010 0.000 1.049 170 K CA 1.939 58.224 56.287 -0.003 0.000 0.932 170 K CB -0.095 32.404 32.500 -0.002 0.000 0.717 170 K HN 0.625 nan 8.250 nan 0.000 0.441 171 E N 0.809 121.003 120.200 -0.010 0.000 2.416 171 E HA 0.041 4.391 4.350 0.000 0.000 0.189 171 E C 0.652 177.238 176.600 -0.024 0.000 1.091 171 E CA -0.448 55.941 56.400 -0.018 0.000 0.889 171 E CB 0.378 30.067 29.700 -0.018 0.000 1.015 171 E HN 0.278 nan 8.360 nan 0.000 0.479 172 G N 0.883 109.673 108.800 -0.017 0.000 2.535 172 G HA2 0.437 4.397 3.960 0.000 0.000 0.282 172 G HA3 0.437 4.397 3.960 0.000 0.000 0.282 172 G C -0.141 174.737 174.900 -0.037 0.000 1.350 172 G CA -0.587 44.503 45.100 -0.018 0.000 1.039 172 G HN 0.056 nan 8.290 nan 0.000 0.509 173 I N 0.231 120.777 120.570 -0.041 0.000 2.406 173 I HA 0.425 4.595 4.170 0.000 0.000 0.290 173 I C -0.582 175.488 176.117 -0.079 0.000 0.999 173 I CA -0.262 61.003 61.300 -0.058 0.000 1.124 173 I CB 1.727 39.695 38.000 -0.053 0.000 1.289 173 I HN 0.141 nan 8.210 nan 0.000 0.441 174 I N 4.912 125.434 120.570 -0.081 0.000 2.686 174 I HA 0.535 4.705 4.170 0.000 0.000 0.295 174 I C -0.662 175.406 176.117 -0.082 0.000 1.114 174 I CA -0.353 60.884 61.300 -0.105 0.000 1.038 174 I CB 2.614 40.555 38.000 -0.098 0.000 1.238 174 I HN 0.475 nan 8.210 nan 0.000 0.420 175 T N 3.689 118.191 114.554 -0.087 0.000 2.883 175 T HA 0.516 4.866 4.350 0.000 0.000 0.301 175 T C -0.940 173.732 174.700 -0.047 0.000 1.158 175 T CA -0.577 61.489 62.100 -0.057 0.000 1.007 175 T CB 2.651 71.492 68.868 -0.046 0.000 1.186 175 T HN 0.189 nan 8.240 nan 0.000 0.499 176 V N 2.554 122.458 119.914 -0.016 0.000 2.409 176 V HA 0.530 4.650 4.120 0.000 0.000 0.291 176 V C -0.560 175.547 176.094 0.021 0.000 1.020 176 V CA -0.728 61.580 62.300 0.014 0.000 0.848 176 V CB 1.544 33.400 31.823 0.056 0.000 0.990 176 V HN 0.745 nan 8.190 nan 0.000 0.430 177 E N 2.848 123.060 120.200 0.021 0.000 2.227 177 E HA 0.436 4.786 4.350 0.000 0.000 0.268 177 E C -0.713 175.907 176.600 0.034 0.000 0.907 177 E CA -0.939 55.472 56.400 0.020 0.000 0.786 177 E CB 2.283 31.986 29.700 0.005 0.000 1.191 177 E HN 0.619 nan 8.360 nan 0.000 0.411 178 E N 0.958 121.175 120.200 0.029 0.000 1.858 178 E HA 0.098 4.448 4.350 0.000 0.000 0.267 178 E C 0.166 176.780 176.600 0.024 0.000 1.215 178 E CA -0.004 56.414 56.400 0.030 0.000 0.952 178 E CB 0.417 30.129 29.700 0.020 0.000 1.058 178 E HN 0.260 nan 8.360 nan 0.000 0.407 179 S N 2.608 118.327 115.700 0.031 0.000 2.612 179 S HA 0.029 4.499 4.470 0.000 0.000 0.253 179 S C 0.899 175.511 174.600 0.020 0.000 1.346 179 S CA 0.039 58.254 58.200 0.024 0.000 0.976 179 S CB 0.635 63.853 63.200 0.029 0.000 0.949 179 S HN 0.506 nan 8.310 nan 0.000 0.584 180 K N 0.156 120.566 120.400 0.016 0.000 2.399 180 K HA 0.145 4.465 4.320 0.000 0.000 0.196 180 K C 0.573 177.182 176.600 0.015 0.000 1.103 180 K CA 0.083 56.378 56.287 0.013 0.000 0.986 180 K CB 0.244 32.749 32.500 0.009 0.000 0.952 180 K HN 0.645 nan 8.250 nan 0.000 0.541 181 S N 0.853 116.563 115.700 0.017 0.000 2.585 181 S HA 0.167 4.637 4.470 0.000 0.000 0.273 181 S C 0.904 175.518 174.600 0.023 0.000 1.339 181 S CA -0.536 57.675 58.200 0.018 0.000 1.028 181 S CB 0.586 63.797 63.200 0.018 0.000 0.906 181 S HN 0.151 nan 8.310 nan 0.000 0.528 182 L N 0.314 121.550 121.223 0.021 0.000 2.645 182 L HA 0.312 4.652 4.340 0.000 0.000 0.234 182 L C 0.574 177.463 176.870 0.032 0.000 1.165 182 L CA 0.335 55.190 54.840 0.025 0.000 0.944 182 L CB -0.822 41.248 42.059 0.019 0.000 1.149 182 L HN 0.712 nan 8.230 nan 0.000 0.446 183 E N -0.408 119.811 120.200 0.032 0.000 2.288 183 E HA 0.366 4.716 4.350 0.000 0.000 0.268 183 E C -0.749 175.873 176.600 0.037 0.000 0.885 183 E CA -0.559 55.861 56.400 0.033 0.000 0.767 183 E CB 2.288 32.001 29.700 0.022 0.000 1.220 183 E HN -0.123 nan 8.360 nan 0.000 0.427 184 T N 2.489 117.064 114.554 0.035 0.000 2.767 184 T HA 0.321 4.672 4.350 0.000 0.000 0.288 184 T C -0.526 174.169 174.700 -0.009 0.000 0.963 184 T CA -0.471 61.642 62.100 0.021 0.000 1.019 184 T CB 0.659 69.533 68.868 0.010 0.000 0.923 184 T HN 0.366 nan 8.240 nan 0.000 0.468 185 E N 1.449 121.644 120.200 -0.009 0.000 2.410 185 E HA 0.650 5.000 4.350 0.000 0.000 0.269 185 E C -1.422 175.169 176.600 -0.015 0.000 0.937 185 E CA -1.116 55.280 56.400 -0.006 0.000 0.793 185 E CB 1.916 31.623 29.700 0.011 0.000 1.314 185 E HN 0.274 nan 8.360 nan 0.000 0.447 186 L N 1.133 122.361 121.223 0.009 0.000 2.325 186 L HA 0.495 4.835 4.340 0.000 0.000 0.281 186 L C -1.550 175.372 176.870 0.085 0.000 1.004 186 L CA -0.213 54.631 54.840 0.006 0.000 0.823 186 L CB 0.796 42.875 42.059 0.034 0.000 1.236 186 L HN 0.431 nan 8.230 nan 0.000 0.415 187 K N 5.058 125.476 120.400 0.029 0.000 2.378 187 K HA 0.508 4.828 4.320 0.000 0.000 0.252 187 K C -1.455 175.193 176.600 0.080 0.000 0.931 187 K CA -0.378 55.987 56.287 0.131 0.000 0.794 187 K CB 1.962 34.500 32.500 0.064 0.000 1.181 187 K HN 0.310 nan 8.250 nan 0.000 0.425 188 F N 2.295 122.242 119.950 -0.005 0.000 2.359 188 F HA 0.195 4.722 4.527 0.000 0.000 0.355 188 F C 0.366 176.167 175.800 0.002 0.000 1.132 188 F CA -0.817 57.182 58.000 -0.002 0.000 1.246 188 F CB 0.178 39.176 39.000 -0.003 0.000 1.569 188 F HN 0.146 nan 8.300 nan 0.000 0.561 189 V N 0.940 120.911 119.914 0.096 0.000 3.653 189 V HA 0.247 4.367 4.120 0.000 0.000 0.282 189 V C 0.544 176.680 176.094 0.070 0.000 0.993 189 V CA -0.785 61.556 62.300 0.069 0.000 0.986 189 V CB 0.797 32.638 31.823 0.030 0.000 1.249 189 V HN 0.314 nan 8.190 nan 0.000 0.423 190 E N -0.024 120.208 120.200 0.053 0.000 2.222 190 E HA 0.738 5.088 4.350 0.000 0.000 0.267 190 E C 0.086 176.720 176.600 0.057 0.000 0.963 190 E CA 0.185 56.619 56.400 0.057 0.000 0.837 190 E CB 1.719 31.445 29.700 0.043 0.000 1.183 190 E HN 0.933 nan 8.360 nan 0.000 0.403 191 G N -0.090 108.760 108.800 0.084 0.000 2.336 191 G HA2 0.297 4.257 3.960 0.000 0.000 0.286 191 G HA3 0.297 4.257 3.960 0.000 0.000 0.286 191 G C -2.077 172.958 174.900 0.225 0.000 1.269 191 G CA -0.552 44.616 45.100 0.114 0.000 0.873 191 G HN 0.338 nan 8.290 nan 0.000 0.494 192 Y N -0.483 119.840 120.300 0.039 0.000 2.764 192 Y HA 0.774 5.324 4.550 0.000 0.000 0.331 192 Y C -1.201 174.761 175.900 0.104 0.000 1.280 192 Y CA -0.492 57.644 58.100 0.058 0.000 1.065 192 Y CB 2.215 40.703 38.460 0.047 0.000 1.319 192 Y HN 0.833 nan 8.280 nan 0.000 0.453 193 Q N 2.596 122.350 119.800 -0.076 0.000 2.507 193 Q HA 0.442 4.782 4.340 0.000 0.000 0.248 193 Q C -2.175 173.827 176.000 0.004 0.000 0.941 193 Q CA -0.499 55.320 55.803 0.027 0.000 1.003 193 Q CB 1.619 30.317 28.738 -0.067 0.000 1.517 193 Q HN 0.582 nan 8.270 nan 0.000 0.443 194 F N 0.034 119.910 119.950 -0.123 0.000 2.620 194 F HA 0.628 5.155 4.527 0.000 0.000 0.320 194 F C -0.443 175.317 175.800 -0.067 0.000 1.069 194 F CA -1.148 56.790 58.000 -0.104 0.000 0.953 194 F CB 1.328 40.314 39.000 -0.023 0.000 1.322 194 F HN 0.226 nan 8.300 nan 0.000 0.479 195 D N 3.072 123.453 120.400 -0.032 0.000 2.619 195 D HA 0.240 4.880 4.640 0.000 0.000 0.224 195 D C -0.506 175.719 176.300 -0.124 0.000 1.133 195 D CA 0.200 54.135 54.000 -0.108 0.000 1.017 195 D CB 0.326 41.117 40.800 -0.016 0.000 1.077 195 D HN 0.332 nan 8.370 nan 0.000 0.503 196 K N 0.201 120.412 120.400 -0.314 0.000 2.546 196 K HA 0.623 4.943 4.320 0.000 0.000 0.264 196 K C 0.052 176.458 176.600 -0.323 0.000 0.937 196 K CA -0.800 55.355 56.287 -0.221 0.000 0.833 196 K CB 2.743 35.201 32.500 -0.070 0.000 1.378 196 K HN 0.273 nan 8.250 nan 0.000 0.432 197 G N 0.235 108.905 108.800 -0.217 0.000 3.140 197 G HA2 0.525 4.485 3.960 0.000 0.000 0.271 197 G HA3 0.525 4.485 3.960 0.000 0.000 0.271 197 G C -1.057 173.778 174.900 -0.108 0.000 1.370 197 G CA -0.724 44.208 45.100 -0.280 0.000 1.014 197 G HN 0.443 nan 8.290 nan 0.000 0.541 198 Y N -0.234 120.110 120.300 0.073 0.000 2.805 198 Y HA 0.210 4.760 4.550 0.000 0.000 0.331 198 Y C 1.442 177.463 175.900 0.201 0.000 1.241 198 Y CA -0.926 57.292 58.100 0.197 0.000 1.546 198 Y CB -0.110 38.512 38.460 0.270 0.000 1.248 198 Y HN 0.278 nan 8.280 nan 0.000 0.559 199 I N 1.433 122.279 120.570 0.460 0.000 2.567 199 I HA -0.180 3.990 4.170 0.000 0.000 0.257 199 I C 0.955 177.218 176.117 0.242 0.000 1.184 199 I CA 1.541 63.031 61.300 0.317 0.000 1.451 199 I CB -0.141 38.047 38.000 0.313 0.000 1.089 199 I HN 0.682 nan 8.210 nan 0.000 0.441 200 S N 0.162 115.984 115.700 0.202 0.000 2.619 200 S HA 0.336 4.806 4.470 0.000 0.000 0.280 200 S C -1.970 172.540 174.600 -0.151 0.000 1.150 200 S CA -1.351 56.799 58.200 -0.084 0.000 0.978 200 S CB 1.677 64.568 63.200 -0.516 0.000 1.041 200 S HN -0.142 nan 8.310 nan 0.000 0.485 201 P HA -0.088 nan 4.420 nan 0.000 0.229 201 P C 0.488 177.504 177.300 -0.473 0.000 1.150 201 P CA 0.838 63.716 63.100 -0.371 0.000 0.765 201 P CB -0.179 31.436 31.700 -0.140 0.000 0.783 202 Y N -1.549 118.480 120.300 -0.451 0.000 2.516 202 Y HA 0.080 4.630 4.550 0.000 0.000 0.291 202 Y C 2.147 177.882 175.900 -0.275 0.000 1.131 202 Y CA 0.545 58.429 58.100 -0.360 0.000 1.281 202 Y CB -1.173 37.070 38.460 -0.362 0.000 1.013 202 Y HN -0.092 nan 8.280 nan 0.000 0.554 203 F N -1.079 118.812 119.950 -0.099 0.000 2.802 203 F HA -0.001 4.526 4.527 0.000 0.000 0.300 203 F C 0.802 176.494 175.800 -0.180 0.000 1.168 203 F CA -0.452 57.488 58.000 -0.100 0.000 1.433 203 F CB -0.065 38.907 39.000 -0.046 0.000 1.115 203 F HN -0.305 nan 8.300 nan 0.000 0.582 204 V N 0.942 120.749 119.914 -0.177 0.000 2.673 204 V HA -0.118 4.002 4.120 0.000 0.000 0.303 204 V C 1.103 177.164 176.094 -0.054 0.000 1.046 204 V CA 0.820 63.014 62.300 -0.176 0.000 1.126 204 V CB 1.099 32.762 31.823 -0.266 0.000 0.934 204 V HN 0.240 nan 8.190 nan 0.000 0.487 205 T N 2.795 117.342 114.554 -0.012 0.000 2.901 205 T HA -0.002 4.348 4.350 0.000 0.000 0.252 205 T C 0.941 175.634 174.700 -0.012 0.000 1.035 205 T CA 0.571 62.672 62.100 0.001 0.000 1.142 205 T CB -0.062 68.817 68.868 0.019 0.000 0.869 205 T HN 0.621 nan 8.240 nan 0.000 0.442 206 N N 1.471 120.166 118.700 -0.007 0.000 2.476 206 N HA 0.220 4.960 4.740 0.000 0.000 0.257 206 N C -2.447 173.049 175.510 -0.022 0.000 0.970 206 N CA -2.083 50.960 53.050 -0.012 0.000 0.938 206 N CB 2.168 40.657 38.487 0.003 0.000 1.144 206 N HN -0.094 nan 8.380 nan 0.000 0.500 207 P HA -0.117 nan 4.420 nan 0.000 0.215 207 P C 0.690 177.971 177.300 -0.031 0.000 1.157 207 P CA 1.414 64.484 63.100 -0.051 0.000 0.868 207 P CB 0.574 32.238 31.700 -0.060 0.000 0.788 208 E N -0.692 119.493 120.200 -0.025 0.000 2.005 208 E HA -0.173 4.178 4.350 0.000 0.000 0.198 208 E C 1.999 178.597 176.600 -0.003 0.000 1.010 208 E CA 2.093 58.481 56.400 -0.020 0.000 0.825 208 E CB -1.072 28.611 29.700 -0.029 0.000 0.769 208 E HN 0.339 nan 8.360 nan 0.000 0.456 209 T N -0.852 113.707 114.554 0.009 0.000 3.051 209 T HA -0.089 4.261 4.350 0.000 0.000 0.269 209 T C 1.075 175.808 174.700 0.055 0.000 1.127 209 T CA 0.452 62.572 62.100 0.033 0.000 1.107 209 T CB -0.019 68.873 68.868 0.040 0.000 0.898 209 T HN 0.069 nan 8.240 nan 0.000 0.517 210 M N 1.067 120.697 119.600 0.050 0.000 2.461 210 M HA -0.142 4.338 4.480 0.000 0.000 0.203 210 M C -0.480 175.939 176.300 0.198 0.000 0.428 210 M CA 0.788 56.144 55.300 0.094 0.000 0.509 210 M CB -2.249 30.420 32.600 0.116 0.000 1.851 210 M HN 0.630 nan 8.290 nan 0.000 0.834 211 E N -0.475 119.808 120.200 0.138 0.000 2.281 211 E HA 0.795 5.145 4.350 0.000 0.000 0.262 211 E C -0.093 176.586 176.600 0.132 0.000 0.933 211 E CA -0.592 55.917 56.400 0.181 0.000 0.809 211 E CB 1.812 31.573 29.700 0.101 0.000 1.242 211 E HN 0.363 nan 8.360 nan 0.000 0.418 212 A N 1.522 124.441 122.820 0.164 0.000 2.360 212 A HA 0.450 4.770 4.320 0.000 0.000 0.309 212 A C -0.915 176.717 177.584 0.079 0.000 1.311 212 A CA -0.547 51.557 52.037 0.112 0.000 0.805 212 A CB 0.483 19.583 19.000 0.167 0.000 1.144 212 A HN 0.273 nan 8.150 nan 0.000 0.486 213 V N 4.438 124.382 119.914 0.049 0.000 2.350 213 V HA 0.393 4.513 4.120 0.000 0.000 0.276 213 V C -0.230 175.877 176.094 0.022 0.000 1.028 213 V CA -0.141 62.179 62.300 0.033 0.000 0.860 213 V CB 0.985 32.823 31.823 0.025 0.000 0.990 213 V HN 0.745 nan 8.190 nan 0.000 0.453 214 L N 5.047 126.279 121.223 0.016 0.000 2.341 214 L HA 0.637 4.977 4.340 0.000 0.000 0.278 214 L C -0.094 176.772 176.870 -0.005 0.000 1.005 214 L CA -0.468 54.375 54.840 0.006 0.000 0.818 214 L CB 2.006 44.068 42.059 0.004 0.000 1.259 214 L HN 0.562 nan 8.230 nan 0.000 0.418 215 E N 2.729 122.922 120.200 -0.013 0.000 2.171 215 E HA 0.180 4.530 4.350 0.000 0.000 0.271 215 E C -1.120 175.448 176.600 -0.052 0.000 0.916 215 E CA -0.675 55.709 56.400 -0.026 0.000 0.774 215 E CB 1.473 31.163 29.700 -0.017 0.000 1.128 215 E HN 0.503 nan 8.360 nan 0.000 0.403 216 D N 1.599 121.953 120.400 -0.078 0.000 2.812 216 D HA -0.182 4.458 4.640 0.000 0.000 0.237 216 D C -1.136 175.037 176.300 -0.212 0.000 1.162 216 D CA 0.849 54.765 54.000 -0.140 0.000 0.740 216 D CB -0.535 40.195 40.800 -0.118 0.000 1.000 216 D HN 0.477 nan 8.370 nan 0.000 0.416 217 A N 0.589 123.289 122.820 -0.200 0.000 2.350 217 A HA 0.774 5.094 4.320 0.000 0.000 0.318 217 A C -0.188 177.223 177.584 -0.287 0.000 1.132 217 A CA -0.626 51.293 52.037 -0.197 0.000 0.811 217 A CB 0.974 19.947 19.000 -0.044 0.000 1.313 217 A HN 0.093 nan 8.150 nan 0.000 0.454 218 F N -0.326 119.624 119.950 -0.001 0.000 2.370 218 F HA 0.527 5.054 4.527 0.000 0.000 0.324 218 F C 0.440 176.239 175.800 -0.001 0.000 1.116 218 F CA -0.035 57.964 58.000 -0.001 0.000 1.123 218 F CB 1.152 40.151 39.000 -0.002 0.000 1.238 218 F HN 0.231 nan 8.300 nan 0.000 0.536 219 I N 3.888 124.564 120.570 0.177 0.000 2.555 219 I HA 0.145 4.315 4.170 0.000 0.000 0.275 219 I C -0.982 175.186 176.117 0.085 0.000 1.082 219 I CA -0.722 60.637 61.300 0.099 0.000 1.167 219 I CB 1.059 39.093 38.000 0.056 0.000 1.312 219 I HN 0.299 nan 8.210 nan 0.000 0.493 220 L N 7.761 129.032 121.223 0.081 0.000 2.565 220 L HA 0.259 4.599 4.340 0.000 0.000 0.275 220 L C -0.201 176.689 176.870 0.033 0.000 1.137 220 L CA 0.709 55.581 54.840 0.053 0.000 0.915 220 L CB -0.234 41.848 42.059 0.038 0.000 1.232 220 L HN 0.369 nan 8.230 nan 0.000 0.473 221 I N 6.575 127.158 120.570 0.022 0.000 2.282 221 I HA 0.221 4.391 4.170 0.000 0.000 0.290 221 I C -0.034 176.088 176.117 0.008 0.000 1.090 221 I CA -0.424 60.875 61.300 -0.002 0.000 1.231 221 I CB 0.502 38.484 38.000 -0.030 0.000 1.434 221 I HN 0.354 nan 8.210 nan 0.000 0.487 222 V N 5.519 125.439 119.914 0.011 0.000 3.234 222 V HA 0.268 4.388 4.120 0.000 0.000 0.317 222 V C 0.913 177.012 176.094 0.007 0.000 1.081 222 V CA -0.306 62.005 62.300 0.019 0.000 1.037 222 V CB 2.070 33.905 31.823 0.019 0.000 1.148 222 V HN 0.794 nan 8.190 nan 0.000 0.453 223 E N -0.128 120.081 120.200 0.013 0.000 2.639 223 E HA 0.197 4.547 4.350 0.000 0.000 0.225 223 E C 0.562 177.169 176.600 0.013 0.000 0.921 223 E CA -0.178 56.226 56.400 0.007 0.000 1.184 223 E CB 0.654 30.359 29.700 0.009 0.000 1.160 223 E HN 0.622 nan 8.360 nan 0.000 0.547 224 K N 0.807 121.216 120.400 0.014 0.000 2.240 224 K HA 0.288 4.608 4.320 0.000 0.000 0.237 224 K C -0.595 176.015 176.600 0.017 0.000 1.027 224 K CA -0.601 55.694 56.287 0.013 0.000 0.937 224 K CB 1.077 33.579 32.500 0.004 0.000 1.171 224 K HN -0.216 nan 8.250 nan 0.000 0.479 225 K N 1.976 122.386 120.400 0.018 0.000 2.231 225 K HA 0.168 4.488 4.320 0.000 0.000 0.275 225 K C -0.943 175.668 176.600 0.018 0.000 1.105 225 K CA -0.391 55.911 56.287 0.024 0.000 0.931 225 K CB 1.047 33.563 32.500 0.026 0.000 1.296 225 K HN 0.282 nan 8.250 nan 0.000 0.446 226 V N 3.549 123.475 119.914 0.021 0.000 2.390 226 V HA -0.055 4.065 4.120 0.000 0.000 0.260 226 V C 1.146 177.253 176.094 0.022 0.000 1.043 226 V CA 0.475 62.784 62.300 0.016 0.000 1.047 226 V CB 0.157 31.991 31.823 0.018 0.000 1.066 226 V HN 0.821 nan 8.190 nan 0.000 0.481 227 S N 2.236 117.944 115.700 0.014 0.000 2.649 227 S HA 0.165 4.635 4.470 0.000 0.000 0.246 227 S C 0.441 175.045 174.600 0.007 0.000 1.057 227 S CA -0.399 57.810 58.200 0.015 0.000 1.051 227 S CB 0.037 63.246 63.200 0.015 0.000 1.018 227 S HN 0.618 nan 8.310 nan 0.000 0.569 228 N N 0.828 119.528 118.700 -0.000 0.000 2.421 228 N HA 0.461 5.201 4.740 0.000 0.000 0.285 228 N C 0.817 176.323 175.510 -0.007 0.000 1.027 228 N CA -0.388 52.658 53.050 -0.006 0.000 0.918 228 N CB 1.713 40.192 38.487 -0.013 0.000 1.152 228 N HN -0.092 nan 8.380 nan 0.000 0.485 229 V N 3.141 123.051 119.914 -0.006 0.000 2.379 229 V HA -0.118 4.002 4.120 0.000 0.000 0.245 229 V C 2.360 178.445 176.094 -0.014 0.000 1.044 229 V CA 1.326 63.622 62.300 -0.007 0.000 1.036 229 V CB -0.671 31.149 31.823 -0.005 0.000 0.664 229 V HN 0.662 nan 8.190 nan 0.000 0.453 230 R N 1.799 122.289 120.500 -0.017 0.000 2.096 230 R HA -0.226 4.114 4.340 0.000 0.000 0.240 230 R C 2.147 178.428 176.300 -0.033 0.000 1.139 230 R CA 2.302 58.388 56.100 -0.023 0.000 0.952 230 R CB -0.673 29.613 30.300 -0.023 0.000 0.854 230 R HN 0.797 nan 8.270 nan 0.000 0.436 231 E N -0.744 119.433 120.200 -0.038 0.000 2.511 231 E HA -0.096 4.254 4.350 0.000 0.000 0.196 231 E C 1.767 178.336 176.600 -0.051 0.000 1.066 231 E CA 0.691 57.058 56.400 -0.055 0.000 0.871 231 E CB -0.121 29.543 29.700 -0.061 0.000 0.863 231 E HN 0.456 nan 8.360 nan 0.000 0.520 232 L N -0.107 121.096 121.223 -0.034 0.000 2.547 232 L HA 0.175 4.515 4.340 0.000 0.000 0.218 232 L C 2.069 178.924 176.870 -0.025 0.000 1.048 232 L CA 0.053 54.877 54.840 -0.027 0.000 0.859 232 L CB 0.103 42.154 42.059 -0.012 0.000 1.128 232 L HN 0.153 nan 8.230 nan 0.000 0.483 233 L N 1.139 122.349 121.223 -0.022 0.000 2.034 233 L HA -0.211 4.129 4.340 0.000 0.000 0.217 233 L C -0.421 176.432 176.870 -0.027 0.000 1.077 233 L CA 1.949 56.776 54.840 -0.021 0.000 0.769 233 L CB -1.917 40.131 42.059 -0.018 0.000 0.890 233 L HN 0.285 nan 8.230 nan 0.000 0.435 234 P HA -0.241 nan 4.420 nan 0.000 0.213 234 P C 1.745 179.021 177.300 -0.040 0.000 1.176 234 P CA 1.944 65.023 63.100 -0.035 0.000 0.919 234 P CB -0.088 31.589 31.700 -0.039 0.000 0.791 235 I N -1.454 119.090 120.570 -0.043 0.000 2.315 235 I HA -0.202 3.969 4.170 0.000 0.000 0.248 235 I C 2.605 178.684 176.117 -0.063 0.000 1.117 235 I CA 0.765 62.032 61.300 -0.056 0.000 1.404 235 I CB -0.733 37.240 38.000 -0.044 0.000 1.071 235 I HN -0.127 nan 8.210 nan 0.000 0.419 236 L N 0.744 121.942 121.223 -0.042 0.000 2.079 236 L HA -0.210 4.130 4.340 0.000 0.000 0.210 236 L C 2.483 179.332 176.870 -0.035 0.000 1.081 236 L CA 1.878 56.699 54.840 -0.032 0.000 0.752 236 L CB -0.606 41.443 42.059 -0.017 0.000 0.896 236 L HN 0.220 nan 8.230 nan 0.000 0.433 237 E N -1.026 119.152 120.200 -0.037 0.000 2.028 237 E HA -0.213 4.137 4.350 0.000 0.000 0.190 237 E C 2.061 178.631 176.600 -0.049 0.000 0.984 237 E CA 1.173 57.553 56.400 -0.034 0.000 0.800 237 E CB -0.157 29.526 29.700 -0.028 0.000 0.758 237 E HN 0.649 nan 8.360 nan 0.000 0.448 238 Q N 0.583 120.341 119.800 -0.069 0.000 2.077 238 Q HA -0.158 4.182 4.340 0.000 0.000 0.206 238 Q C 2.408 178.327 176.000 -0.135 0.000 0.989 238 Q CA 1.704 57.449 55.803 -0.097 0.000 0.853 238 Q CB -0.256 28.410 28.738 -0.120 0.000 0.907 238 Q HN 0.114 nan 8.270 nan 0.000 0.418 239 V N 1.049 120.864 119.914 -0.166 0.000 2.427 239 V HA -0.267 3.853 4.120 0.000 0.000 0.248 239 V C 2.318 178.384 176.094 -0.047 0.000 1.051 239 V CA 1.602 63.791 62.300 -0.185 0.000 1.048 239 V CB -1.125 30.606 31.823 -0.153 0.000 0.666 239 V HN 0.409 nan 8.190 nan 0.000 0.456 240 A N -0.353 122.449 122.820 -0.030 0.000 1.892 240 A HA -0.314 4.006 4.320 0.000 0.000 0.218 240 A C 2.131 179.719 177.584 0.007 0.000 1.188 240 A CA 2.034 54.070 52.037 -0.000 0.000 0.631 240 A CB -0.535 18.462 19.000 -0.005 0.000 0.822 240 A HN 0.633 nan 8.150 nan 0.000 0.447 241 Q N -0.836 118.960 119.800 -0.007 0.000 2.515 241 Q HA -0.039 4.301 4.340 0.000 0.000 0.212 241 Q C 1.429 177.440 176.000 0.018 0.000 0.970 241 Q CA 1.168 56.972 55.803 0.002 0.000 0.941 241 Q CB -0.186 28.547 28.738 -0.008 0.000 0.998 241 Q HN 0.681 nan 8.270 nan 0.000 0.518 242 T N -1.005 113.568 114.554 0.031 0.000 3.043 242 T HA 0.042 4.392 4.350 0.000 0.000 0.263 242 T C 1.399 176.163 174.700 0.107 0.000 1.094 242 T CA 0.874 63.027 62.100 0.089 0.000 1.127 242 T CB 0.127 69.095 68.868 0.167 0.000 0.905 242 T HN 0.584 nan 8.240 nan 0.000 0.490 243 G N 1.637 110.486 108.800 0.083 0.000 2.179 243 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 243 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 243 G C 0.140 175.089 174.900 0.082 0.000 0.977 243 G CA 0.239 45.380 45.100 0.067 0.000 0.641 243 G HN 0.474 nan 8.290 nan 0.000 0.533 244 K N 1.247 121.732 120.400 0.142 0.000 2.095 244 K HA 0.527 4.847 4.320 0.000 0.000 0.252 244 K C -2.106 174.582 176.600 0.146 0.000 0.977 244 K CA -1.655 54.715 56.287 0.138 0.000 0.900 244 K CB 1.723 34.334 32.500 0.186 0.000 1.060 244 K HN 0.102 nan 8.250 nan 0.000 0.449 245 P HA 0.214 nan 4.420 nan 0.000 0.278 245 P C -1.311 176.058 177.300 0.115 0.000 1.258 245 P CA -0.553 62.591 63.100 0.072 0.000 0.811 245 P CB 0.799 32.515 31.700 0.027 0.000 1.063 246 L N 1.449 122.717 121.223 0.075 0.000 2.436 246 L HA 0.552 4.892 4.340 0.000 0.000 0.268 246 L C -1.609 175.270 176.870 0.014 0.000 0.974 246 L CA -0.958 53.935 54.840 0.089 0.000 0.826 246 L CB 1.845 43.955 42.059 0.085 0.000 1.291 246 L HN 0.164 nan 8.230 nan 0.000 0.406 247 L N 6.035 127.278 121.223 0.033 0.000 2.280 247 L HA 0.637 4.977 4.340 0.000 0.000 0.287 247 L C -1.120 175.760 176.870 0.017 0.000 1.023 247 L CA -0.036 54.808 54.840 0.005 0.000 0.819 247 L CB 0.970 43.052 42.059 0.039 0.000 1.212 247 L HN 0.581 nan 8.230 nan 0.000 0.420 248 I N 6.328 126.885 120.570 -0.020 0.000 2.353 248 I HA 0.322 4.492 4.170 0.000 0.000 0.293 248 I C -0.022 176.118 176.117 0.038 0.000 0.992 248 I CA -0.235 61.067 61.300 0.003 0.000 1.268 248 I CB 1.357 39.344 38.000 -0.022 0.000 1.387 248 I HN 0.578 nan 8.210 nan 0.000 0.478 249 I N 6.246 126.845 120.570 0.047 0.000 2.954 249 I HA 0.322 4.493 4.170 0.000 0.000 0.312 249 I C 0.480 176.617 176.117 0.033 0.000 1.391 249 I CA -0.116 61.224 61.300 0.066 0.000 0.906 249 I CB 0.588 38.614 38.000 0.044 0.000 2.079 249 I HN 0.593 nan 8.210 nan 0.000 0.618 250 A N 1.775 124.621 122.820 0.043 0.000 2.249 250 A HA 0.301 4.621 4.320 0.000 0.000 0.281 250 A C 1.401 179.007 177.584 0.037 0.000 1.127 250 A CA -0.257 51.798 52.037 0.031 0.000 0.833 250 A CB 0.453 19.473 19.000 0.034 0.000 1.140 250 A HN 0.693 nan 8.150 nan 0.000 0.502 251 E N -0.819 119.397 120.200 0.028 0.000 2.347 251 E HA -0.009 4.341 4.350 0.000 0.000 0.196 251 E C -0.259 176.372 176.600 0.051 0.000 1.008 251 E CA 1.092 57.510 56.400 0.030 0.000 0.852 251 E CB 0.175 29.890 29.700 0.026 0.000 0.783 251 E HN 0.490 nan 8.360 nan 0.000 0.505 252 D N -0.825 119.609 120.400 0.056 0.000 2.751 252 D HA 0.131 4.771 4.640 0.000 0.000 0.236 252 D C -1.887 174.454 176.300 0.068 0.000 1.196 252 D CA -0.548 53.494 54.000 0.070 0.000 0.741 252 D CB 2.279 43.117 40.800 0.065 0.000 1.474 252 D HN -0.066 nan 8.370 nan 0.000 0.452 253 V N 3.506 123.472 119.914 0.087 0.000 2.409 253 V HA 0.460 4.580 4.120 0.000 0.000 0.290 253 V C 0.205 176.350 176.094 0.086 0.000 1.017 253 V CA -0.516 61.836 62.300 0.088 0.000 0.841 253 V CB 1.465 33.359 31.823 0.119 0.000 1.003 253 V HN 0.549 nan 8.190 nan 0.000 0.426 254 E N 3.312 123.548 120.200 0.060 0.000 2.447 254 E HA 0.819 5.169 4.350 0.000 0.000 0.258 254 E C 0.665 177.283 176.600 0.030 0.000 0.916 254 E CA -0.376 56.052 56.400 0.045 0.000 0.846 254 E CB 1.467 31.190 29.700 0.038 0.000 1.517 254 E HN 0.847 nan 8.360 nan 0.000 0.418 255 G N 0.979 109.790 108.800 0.018 0.000 2.632 255 G HA2 -0.449 3.511 3.960 0.000 0.000 0.322 255 G HA3 -0.449 3.511 3.960 0.000 0.000 0.322 255 G C 0.763 175.666 174.900 0.005 0.000 1.326 255 G CA 1.010 46.115 45.100 0.007 0.000 0.986 255 G HN 0.759 nan 8.290 nan 0.000 0.541 256 E N 0.265 120.467 120.200 0.003 0.000 2.049 256 E HA -0.156 4.194 4.350 0.000 0.000 0.198 256 E C 3.083 179.691 176.600 0.012 0.000 1.007 256 E CA 1.713 58.114 56.400 0.002 0.000 0.809 256 E CB -0.413 29.287 29.700 0.000 0.000 0.749 256 E HN 0.775 nan 8.360 nan 0.000 0.450 257 A N 1.520 124.352 122.820 0.019 0.000 1.859 257 A HA -0.253 4.067 4.320 0.000 0.000 0.218 257 A C 2.248 179.867 177.584 0.059 0.000 1.209 257 A CA 1.881 53.937 52.037 0.033 0.000 0.639 257 A CB -0.903 18.116 19.000 0.033 0.000 0.835 257 A HN 0.259 nan 8.150 nan 0.000 0.450 258 L N -0.510 120.754 121.223 0.068 0.000 2.083 258 L HA -0.058 4.282 4.340 0.000 0.000 0.209 258 L C 2.704 179.611 176.870 0.062 0.000 1.083 258 L CA 2.246 57.150 54.840 0.107 0.000 0.752 258 L CB -0.938 41.172 42.059 0.085 0.000 0.899 258 L HN 0.405 nan 8.230 nan 0.000 0.433 259 A N -1.443 121.382 122.820 0.008 0.000 1.865 259 A HA -0.222 4.098 4.320 0.000 0.000 0.217 259 A C 2.255 179.833 177.584 -0.009 0.000 1.191 259 A CA 2.468 54.484 52.037 -0.034 0.000 0.623 259 A CB -1.301 17.676 19.000 -0.038 0.000 0.826 259 A HN 0.502 nan 8.150 nan 0.000 0.444 260 T N 0.743 115.306 114.554 0.015 0.000 2.652 260 T HA -0.162 4.188 4.350 0.000 0.000 0.267 260 T C 1.845 176.579 174.700 0.058 0.000 1.039 260 T CA 1.595 63.710 62.100 0.024 0.000 1.153 260 T CB -0.558 68.324 68.868 0.023 0.000 0.863 260 T HN 0.351 nan 8.240 nan 0.000 0.428 261 L N 0.732 122.015 121.223 0.101 0.000 2.021 261 L HA -0.165 4.175 4.340 0.000 0.000 0.215 261 L C 2.699 179.728 176.870 0.265 0.000 1.074 261 L CA 1.184 56.126 54.840 0.171 0.000 0.760 261 L CB -0.825 41.371 42.059 0.229 0.000 0.889 261 L HN 0.172 nan 8.230 nan 0.000 0.433 262 V N -0.986 119.058 119.914 0.216 0.000 2.358 262 V HA -0.232 3.888 4.120 0.000 0.000 0.246 262 V C 2.391 178.509 176.094 0.040 0.000 1.047 262 V CA 1.484 63.836 62.300 0.087 0.000 1.035 262 V CB -0.272 31.424 31.823 -0.211 0.000 0.658 262 V HN 0.196 nan 8.190 nan 0.000 0.452 263 V N 0.783 120.700 119.914 0.006 0.000 2.233 263 V HA -0.267 3.853 4.120 0.000 0.000 0.247 263 V C 2.301 178.413 176.094 0.030 0.000 1.050 263 V CA 2.314 64.613 62.300 -0.000 0.000 1.010 263 V CB -0.901 30.916 31.823 -0.011 0.000 0.637 263 V HN 0.583 nan 8.190 nan 0.000 0.444 264 N N 0.317 119.043 118.700 0.043 0.000 2.289 264 N HA -0.197 4.543 4.740 0.000 0.000 0.184 264 N C 1.846 177.391 175.510 0.059 0.000 1.016 264 N CA 1.508 54.584 53.050 0.043 0.000 0.872 264 N CB -0.256 38.255 38.487 0.040 0.000 0.973 264 N HN 0.481 nan 8.380 nan 0.000 0.433 265 K N 1.860 122.318 120.400 0.095 0.000 2.001 265 K HA 0.008 4.328 4.320 0.000 0.000 0.208 265 K C 1.848 178.503 176.600 0.091 0.000 1.048 265 K CA 1.069 57.428 56.287 0.121 0.000 0.932 265 K CB -0.515 32.130 32.500 0.242 0.000 0.715 265 K HN 0.109 nan 8.250 nan 0.000 0.437 266 L N 0.119 121.392 121.223 0.083 0.000 2.478 266 L HA 0.110 4.450 4.340 0.000 0.000 0.223 266 L C 2.633 179.524 176.870 0.035 0.000 1.140 266 L CA 0.537 55.413 54.840 0.060 0.000 0.842 266 L CB -0.229 41.873 42.059 0.070 0.000 0.953 266 L HN 0.202 nan 8.230 nan 0.000 0.452 267 R N 0.055 120.575 120.500 0.033 0.000 2.105 267 R HA 0.057 4.397 4.340 0.000 0.000 0.214 267 R C 1.377 177.689 176.300 0.019 0.000 1.091 267 R CA 1.002 57.114 56.100 0.021 0.000 1.007 267 R CB 0.267 30.579 30.300 0.019 0.000 0.912 267 R HN 0.306 nan 8.270 nan 0.000 0.450 268 G N -1.136 107.679 108.800 0.026 0.000 2.192 268 G HA2 -0.190 3.770 3.960 0.000 0.000 0.193 268 G HA3 -0.190 3.770 3.960 0.000 0.000 0.193 268 G C 0.716 175.629 174.900 0.023 0.000 0.999 268 G CA 0.387 45.500 45.100 0.023 0.000 0.659 268 G HN 0.357 nan 8.290 nan 0.000 0.503 269 T N -0.174 114.394 114.554 0.024 0.000 2.737 269 T HA 0.286 4.636 4.350 0.000 0.000 0.265 269 T C 0.852 175.567 174.700 0.025 0.000 1.038 269 T CA 1.439 63.552 62.100 0.022 0.000 1.144 269 T CB 0.224 69.104 68.868 0.020 0.000 0.866 269 T HN 0.454 nan 8.240 nan 0.000 0.434 270 L N 1.419 122.661 121.223 0.032 0.000 2.543 270 L HA 0.384 4.724 4.340 0.000 0.000 0.265 270 L C -0.952 175.941 176.870 0.040 0.000 0.945 270 L CA -0.751 54.110 54.840 0.034 0.000 0.869 270 L CB 1.960 44.035 42.059 0.028 0.000 1.294 270 L HN 0.126 nan 8.230 nan 0.000 0.405 271 S N 4.600 120.322 115.700 0.036 0.000 2.400 271 S HA 0.618 5.088 4.470 0.000 0.000 0.295 271 S C -0.322 174.282 174.600 0.007 0.000 1.113 271 S CA -0.490 57.731 58.200 0.034 0.000 1.064 271 S CB 0.644 63.863 63.200 0.031 0.000 0.990 271 S HN 0.496 nan 8.310 nan 0.000 0.502 272 V N -0.256 119.641 119.914 -0.028 0.000 3.164 272 V HA 1.067 5.187 4.120 0.000 0.000 0.313 272 V C -0.243 175.626 176.094 -0.374 0.000 1.188 272 V CA -0.977 61.237 62.300 -0.143 0.000 1.058 272 V CB 1.094 32.828 31.823 -0.148 0.000 1.110 272 V HN 1.388 nan 8.190 nan 0.000 0.453 273 A N 0.105 122.573 122.820 -0.586 0.000 2.530 273 A HA 0.910 5.230 4.320 0.000 0.000 0.297 273 A C -0.565 176.629 177.584 -0.649 0.000 1.059 273 A CA 0.002 51.463 52.037 -0.960 0.000 0.782 273 A CB 0.975 19.790 19.000 -0.308 0.000 1.301 273 A HN 2.362 nan 8.150 nan 0.000 0.394 274 A N 1.594 123.968 122.820 -0.742 0.000 2.304 274 A HA 0.791 5.111 4.320 0.000 0.000 0.323 274 A C -0.576 177.076 177.584 0.114 0.000 1.195 274 A CA -0.484 51.479 52.037 -0.123 0.000 0.826 274 A CB 0.939 19.967 19.000 0.046 0.000 1.184 274 A HN 1.523 nan 8.150 nan 0.000 0.496 275 V N 2.975 122.962 119.914 0.121 0.000 2.789 275 V HA 0.309 4.429 4.120 0.000 0.000 0.311 275 V C 0.017 176.221 176.094 0.182 0.000 1.073 275 V CA -0.938 61.460 62.300 0.162 0.000 0.921 275 V CB 2.105 34.027 31.823 0.164 0.000 1.009 275 V HN 0.989 nan 8.190 nan 0.000 0.426 276 K N 2.056 122.556 120.400 0.166 0.000 2.276 276 K HA 0.574 4.894 4.320 0.000 0.000 0.259 276 K C 0.259 176.973 176.600 0.190 0.000 1.001 276 K CA -0.110 56.261 56.287 0.141 0.000 0.927 276 K CB 0.720 33.281 32.500 0.100 0.000 0.969 276 K HN 0.846 nan 8.250 nan 0.000 0.490 277 A N 3.765 126.630 122.820 0.075 0.000 2.440 277 A HA 0.207 4.527 4.320 0.000 0.000 0.251 277 A C -1.968 175.586 177.584 -0.050 0.000 1.089 277 A CA -1.195 50.834 52.037 -0.014 0.000 0.779 277 A CB -0.372 18.590 19.000 -0.064 0.000 1.022 277 A HN 0.450 nan 8.150 nan 0.000 0.492 278 P HA 0.310 nan 4.420 nan 0.000 0.270 278 P C 0.747 177.908 177.300 -0.231 0.000 1.223 278 P CA 1.360 64.441 63.100 -0.031 0.000 0.785 278 P CB 0.395 32.029 31.700 -0.110 0.000 0.923 279 G N 0.696 109.295 108.800 -0.335 0.000 2.806 279 G HA2 -0.143 3.817 3.960 0.000 0.000 0.236 279 G HA3 -0.143 3.817 3.960 0.000 0.000 0.236 279 G C -1.220 173.215 174.900 -0.775 0.000 1.387 279 G CA -0.436 44.436 45.100 -0.380 0.000 0.884 279 G HN 0.453 nan 8.290 nan 0.000 0.560 280 F N -0.126 119.865 119.950 0.067 0.000 2.591 280 F HA 0.667 5.194 4.527 0.000 0.000 0.309 280 F C 0.958 176.788 175.800 0.049 0.000 1.098 280 F CA 0.583 58.617 58.000 0.057 0.000 0.937 280 F CB 1.424 40.459 39.000 0.058 0.000 1.250 280 F HN 2.043 nan 8.300 nan 0.000 0.447 281 G N 2.037 110.957 108.800 0.200 0.000 2.569 281 G HA2 -0.273 3.687 3.960 0.000 0.000 0.259 281 G HA3 -0.273 3.687 3.960 0.000 0.000 0.259 281 G C 0.550 175.500 174.900 0.084 0.000 1.263 281 G CA 0.263 45.439 45.100 0.128 0.000 0.928 281 G HN 0.652 nan 8.290 nan 0.000 0.572 282 D N 0.069 120.512 120.400 0.071 0.000 2.172 282 D HA -0.163 4.477 4.640 0.000 0.000 0.196 282 D C 2.333 178.660 176.300 0.045 0.000 0.999 282 D CA 1.694 55.723 54.000 0.048 0.000 0.856 282 D CB -0.122 40.705 40.800 0.046 0.000 0.934 282 D HN 0.363 nan 8.370 nan 0.000 0.453 283 R N 1.345 121.886 120.500 0.070 0.000 2.127 283 R HA -0.120 4.220 4.340 0.000 0.000 0.238 283 R C 2.129 178.448 176.300 0.031 0.000 1.134 283 R CA 1.287 57.426 56.100 0.065 0.000 0.975 283 R CB -0.368 30.001 30.300 0.116 0.000 0.865 283 R HN 0.141 nan 8.270 nan 0.000 0.447 284 R N 0.115 120.626 120.500 0.018 0.000 2.057 284 R HA -0.068 4.273 4.340 0.000 0.000 0.229 284 R C 2.117 178.390 176.300 -0.045 0.000 1.136 284 R CA 1.881 57.960 56.100 -0.035 0.000 0.952 284 R CB -0.276 29.996 30.300 -0.046 0.000 0.848 284 R HN 0.149 nan 8.270 nan 0.000 0.430 285 K N 0.051 120.436 120.400 -0.025 0.000 2.103 285 K HA -0.213 4.107 4.320 0.000 0.000 0.207 285 K C 1.840 178.413 176.600 -0.045 0.000 1.048 285 K CA 1.841 58.108 56.287 -0.034 0.000 0.930 285 K CB 0.009 32.500 32.500 -0.016 0.000 0.716 285 K HN 0.065 nan 8.250 nan 0.000 0.444 286 E N 0.496 120.679 120.200 -0.029 0.000 2.110 286 E HA -0.125 4.225 4.350 0.000 0.000 0.193 286 E C 1.770 178.338 176.600 -0.053 0.000 0.988 286 E CA 1.491 57.872 56.400 -0.031 0.000 0.804 286 E CB 0.026 29.722 29.700 -0.007 0.000 0.745 286 E HN 0.353 nan 8.360 nan 0.000 0.458 287 M N -0.732 118.839 119.600 -0.050 0.000 2.288 287 M HA -0.012 4.468 4.480 0.000 0.000 0.266 287 M C 2.023 178.208 176.300 -0.192 0.000 1.072 287 M CA 0.671 55.933 55.300 -0.062 0.000 1.132 287 M CB -0.048 32.557 32.600 0.008 0.000 1.386 287 M HN 0.111 nan 8.290 nan 0.000 0.432 288 L N 0.279 121.400 121.223 -0.169 0.000 2.131 288 L HA -0.227 4.113 4.340 0.000 0.000 0.210 288 L C 2.336 179.090 176.870 -0.194 0.000 1.092 288 L CA 1.368 56.092 54.840 -0.195 0.000 0.759 288 L CB -0.445 41.536 42.059 -0.131 0.000 0.903 288 L HN 0.291 nan 8.230 nan 0.000 0.435 289 K N -0.493 119.811 120.400 -0.160 0.000 2.103 289 K HA -0.129 4.191 4.320 0.000 0.000 0.204 289 K C 1.641 178.116 176.600 -0.208 0.000 1.052 289 K CA 1.086 57.285 56.287 -0.146 0.000 0.945 289 K CB -0.151 32.289 32.500 -0.100 0.000 0.722 289 K HN 0.308 nan 8.250 nan 0.000 0.443 290 D N 1.217 121.444 120.400 -0.287 0.000 2.149 290 D HA -0.156 4.484 4.640 0.000 0.000 0.198 290 D C 1.924 177.871 176.300 -0.588 0.000 0.990 290 D CA 1.161 54.899 54.000 -0.436 0.000 0.839 290 D CB -0.014 40.425 40.800 -0.600 0.000 0.948 290 D HN 0.220 nan 8.370 nan 0.000 0.460 291 I N 1.290 121.508 120.570 -0.588 0.000 2.193 291 I HA -0.202 3.968 4.170 0.000 0.000 0.240 291 I C 2.728 178.705 176.117 -0.234 0.000 1.084 291 I CA 0.755 61.791 61.300 -0.440 0.000 1.365 291 I CB -0.350 37.441 38.000 -0.349 0.000 1.064 291 I HN -0.110 nan 8.210 nan 0.000 0.410 292 A N 1.141 123.850 122.820 -0.186 0.000 1.903 292 A HA -0.282 4.038 4.320 0.000 0.000 0.219 292 A C 2.554 180.077 177.584 -0.102 0.000 1.191 292 A CA 2.375 54.344 52.037 -0.114 0.000 0.638 292 A CB -1.012 17.929 19.000 -0.097 0.000 0.823 292 A HN 0.468 nan 8.150 nan 0.000 0.451 293 A N -0.627 122.117 122.820 -0.126 0.000 1.865 293 A HA -0.076 4.244 4.320 0.000 0.000 0.217 293 A C 2.163 179.699 177.584 -0.080 0.000 1.191 293 A CA 2.167 54.145 52.037 -0.098 0.000 0.623 293 A CB -1.109 17.826 19.000 -0.108 0.000 0.826 293 A HN 0.653 nan 8.150 nan 0.000 0.444 294 V N -0.266 119.587 119.914 -0.102 0.000 2.970 294 V HA -0.123 3.997 4.120 0.000 0.000 0.260 294 V C 2.350 178.422 176.094 -0.037 0.000 1.100 294 V CA 2.064 64.330 62.300 -0.056 0.000 1.122 294 V CB -1.147 30.648 31.823 -0.046 0.000 0.721 294 V HN 0.620 nan 8.190 nan 0.000 0.483 295 T N -0.434 114.090 114.554 -0.050 0.000 2.983 295 T HA 0.318 4.668 4.350 0.000 0.000 0.250 295 T C 1.525 176.214 174.700 -0.018 0.000 1.037 295 T CA 1.111 63.194 62.100 -0.027 0.000 1.142 295 T CB 0.184 69.036 68.868 -0.026 0.000 0.876 295 T HN 0.763 nan 8.240 nan 0.000 0.455 296 G N 1.037 109.823 108.800 -0.023 0.000 2.145 296 G HA2 0.105 4.065 3.960 0.000 0.000 0.176 296 G HA3 0.105 4.065 3.960 0.000 0.000 0.176 296 G C 0.189 175.088 174.900 -0.002 0.000 1.013 296 G CA -0.335 44.758 45.100 -0.012 0.000 0.689 296 G HN 0.846 nan 8.290 nan 0.000 0.506 297 G N -1.419 107.373 108.800 -0.012 0.000 3.016 297 G HA2 0.880 4.840 3.960 0.000 0.000 0.270 297 G HA3 0.880 4.840 3.960 0.000 0.000 0.270 297 G C -0.584 174.299 174.900 -0.028 0.000 1.352 297 G CA 0.138 45.236 45.100 -0.004 0.000 1.060 297 G HN 0.801 nan 8.290 nan 0.000 0.538 298 T N -0.319 114.220 114.554 -0.026 0.000 2.952 298 T HA 0.361 4.711 4.350 0.000 0.000 0.305 298 T C -0.425 174.259 174.700 -0.026 0.000 1.064 298 T CA -0.387 61.688 62.100 -0.043 0.000 1.008 298 T CB 1.872 70.699 68.868 -0.068 0.000 1.078 298 T HN 0.390 nan 8.240 nan 0.000 0.459 299 V N 3.932 123.826 119.914 -0.034 0.000 2.400 299 V HA 0.081 4.201 4.120 0.000 0.000 0.263 299 V C 0.850 176.960 176.094 0.026 0.000 1.026 299 V CA 0.006 62.297 62.300 -0.015 0.000 1.077 299 V CB -0.857 30.947 31.823 -0.032 0.000 1.054 299 V HN 0.780 nan 8.190 nan 0.000 0.477 300 I N 5.492 126.106 120.570 0.073 0.000 2.668 300 I HA 0.004 4.175 4.170 0.000 0.000 0.309 300 I C 0.922 177.122 176.117 0.137 0.000 1.195 300 I CA 0.445 61.854 61.300 0.181 0.000 1.919 300 I CB -0.365 37.755 38.000 0.199 0.000 1.551 300 I HN 0.718 nan 8.210 nan 0.000 0.908 301 S N 3.400 119.171 115.700 0.118 0.000 2.480 301 S HA 0.281 4.751 4.470 0.000 0.000 0.286 301 S C 0.970 175.628 174.600 0.097 0.000 1.180 301 S CA -0.892 57.355 58.200 0.078 0.000 1.075 301 S CB 1.839 65.064 63.200 0.042 0.000 0.996 301 S HN 0.384 nan 8.310 nan 0.000 0.487 302 E N 2.733 122.970 120.200 0.061 0.000 2.265 302 E HA -0.145 4.205 4.350 0.000 0.000 0.196 302 E C 1.397 178.028 176.600 0.050 0.000 0.996 302 E CA 0.969 57.398 56.400 0.048 0.000 0.832 302 E CB -0.177 29.534 29.700 0.017 0.000 0.756 302 E HN 0.850 nan 8.360 nan 0.000 0.491 303 E N 0.930 121.157 120.200 0.043 0.000 2.021 303 E HA -0.135 4.215 4.350 0.000 0.000 0.200 303 E C 1.524 178.148 176.600 0.040 0.000 1.015 303 E CA 0.822 57.243 56.400 0.034 0.000 0.824 303 E CB -0.226 29.489 29.700 0.025 0.000 0.762 303 E HN 0.224 nan 8.360 nan 0.000 0.454 304 L N 1.360 122.610 121.223 0.045 0.000 2.855 304 L HA 0.112 4.452 4.340 0.000 0.000 0.257 304 L C 0.582 177.497 176.870 0.075 0.000 1.206 304 L CA -0.179 54.686 54.840 0.042 0.000 1.042 304 L CB -1.482 40.590 42.059 0.021 0.000 1.321 304 L HN 0.199 nan 8.230 nan 0.000 0.417 305 G N 1.347 110.196 108.800 0.082 0.000 2.329 305 G HA2 -0.296 3.664 3.960 0.000 0.000 0.204 305 G HA3 -0.296 3.664 3.960 0.000 0.000 0.204 305 G C -0.789 174.240 174.900 0.214 0.000 0.435 305 G CA -0.155 45.006 45.100 0.103 0.000 0.977 305 G HN 0.332 nan 8.290 nan 0.000 0.366 306 F N 2.392 122.337 119.950 -0.008 0.000 2.925 306 F HA 0.432 4.959 4.527 0.000 0.000 0.347 306 F C -0.186 175.609 175.800 -0.009 0.000 1.187 306 F CA -1.294 56.700 58.000 -0.009 0.000 1.189 306 F CB 0.790 39.783 39.000 -0.011 0.000 1.479 306 F HN 0.454 nan 8.300 nan 0.000 0.645 307 K N 5.472 125.460 120.400 -0.687 0.000 2.258 307 K HA 0.371 4.691 4.320 0.000 0.000 0.264 307 K C 0.945 177.023 176.600 -0.869 0.000 1.007 307 K CA -0.484 55.452 56.287 -0.585 0.000 0.941 307 K CB 1.097 33.393 32.500 -0.340 0.000 0.966 307 K HN 0.732 nan 8.250 nan 0.000 0.480 308 L N 1.978 122.936 121.223 -0.441 0.000 2.072 308 L HA -0.191 4.149 4.340 0.000 0.000 0.205 308 L C 2.466 179.193 176.870 -0.239 0.000 1.079 308 L CA 1.065 55.724 54.840 -0.302 0.000 0.752 308 L CB -0.377 41.595 42.059 -0.145 0.000 0.906 308 L HN 0.761 nan 8.230 nan 0.000 0.436 309 E N 0.043 120.125 120.200 -0.197 0.000 2.171 309 E HA -0.253 4.097 4.350 0.000 0.000 0.197 309 E C 0.705 177.236 176.600 -0.115 0.000 0.997 309 E CA 1.357 57.681 56.400 -0.126 0.000 0.810 309 E CB -0.775 28.864 29.700 -0.101 0.000 0.738 309 E HN 0.527 nan 8.360 nan 0.000 0.467 310 N N 1.423 120.005 118.700 -0.197 0.000 2.375 310 N HA 0.190 4.930 4.740 0.000 0.000 0.220 310 N C -0.386 175.203 175.510 0.131 0.000 1.170 310 N CA 0.540 53.547 53.050 -0.072 0.000 0.833 310 N CB 0.546 38.987 38.487 -0.077 0.000 1.069 310 N HN 0.218 nan 8.380 nan 0.000 0.479 311 A N 0.351 123.219 122.820 0.081 0.000 2.274 311 A HA 0.461 4.781 4.320 0.000 0.000 0.309 311 A C 0.509 178.164 177.584 0.117 0.000 1.226 311 A CA -0.378 51.814 52.037 0.258 0.000 0.853 311 A CB 0.554 19.668 19.000 0.189 0.000 1.146 311 A HN 0.059 nan 8.150 nan 0.000 0.518 312 T N 2.298 116.918 114.554 0.110 0.000 2.899 312 T HA 0.193 4.543 4.350 0.000 0.000 0.295 312 T C 0.978 175.661 174.700 -0.027 0.000 1.033 312 T CA -0.154 61.961 62.100 0.024 0.000 1.084 312 T CB 0.632 69.509 68.868 0.014 0.000 0.979 312 T HN 0.572 nan 8.240 nan 0.000 0.532 313 L N 3.156 124.329 121.223 -0.083 0.000 2.855 313 L HA 0.146 4.486 4.340 0.000 0.000 0.257 313 L C 1.375 178.168 176.870 -0.128 0.000 1.206 313 L CA 0.736 55.463 54.840 -0.188 0.000 1.042 313 L CB -1.283 40.627 42.059 -0.248 0.000 1.321 313 L HN 0.765 nan 8.230 nan 0.000 0.417 314 S N -3.276 112.399 115.700 -0.043 0.000 2.684 314 S HA 0.126 4.596 4.470 0.000 0.000 0.268 314 S C 1.353 175.961 174.600 0.013 0.000 1.075 314 S CA -0.213 57.991 58.200 0.006 0.000 1.184 314 S CB -0.276 62.924 63.200 0.001 0.000 1.129 314 S HN 0.355 nan 8.310 nan 0.000 0.630 315 M N 2.484 122.085 119.600 0.002 0.000 2.492 315 M HA 0.300 4.780 4.480 0.000 0.000 0.262 315 M C 0.617 176.930 176.300 0.021 0.000 1.090 315 M CA 0.532 55.829 55.300 -0.005 0.000 1.110 315 M CB -0.324 32.274 32.600 -0.003 0.000 1.407 315 M HN 0.443 nan 8.290 nan 0.000 0.470 316 L N -0.547 120.705 121.223 0.048 0.000 2.264 316 L HA 0.760 5.100 4.340 0.000 0.000 0.289 316 L C 0.263 177.217 176.870 0.140 0.000 1.044 316 L CA -0.848 54.043 54.840 0.085 0.000 0.807 316 L CB 0.563 42.678 42.059 0.094 0.000 1.192 316 L HN 0.008 nan 8.230 nan 0.000 0.425 317 G N 3.868 112.723 108.800 0.091 0.000 2.570 317 G HA2 0.582 4.542 3.960 0.000 0.000 0.276 317 G HA3 0.582 4.542 3.960 0.000 0.000 0.276 317 G C -0.475 174.476 174.900 0.085 0.000 1.346 317 G CA -0.735 44.410 45.100 0.074 0.000 1.034 317 G HN 1.051 nan 8.290 nan 0.000 0.512 318 R N -2.772 117.730 120.500 0.003 0.000 2.712 318 R HA 0.711 5.051 4.340 0.000 0.000 0.272 318 R C -1.332 174.920 176.300 -0.080 0.000 1.032 318 R CA -0.697 55.352 56.100 -0.086 0.000 0.874 318 R CB 1.045 31.174 30.300 -0.286 0.000 1.256 318 R HN 1.131 nan 8.270 nan 0.000 0.468 319 A N 0.461 123.223 122.820 -0.096 0.000 2.569 319 A HA 0.411 4.731 4.320 0.000 0.000 0.290 319 A C 0.027 177.567 177.584 -0.073 0.000 1.136 319 A CA -0.798 51.204 52.037 -0.059 0.000 0.710 319 A CB 1.826 20.815 19.000 -0.017 0.000 1.303 319 A HN 0.890 nan 8.150 nan 0.000 0.413 320 E N -0.271 119.901 120.200 -0.047 0.000 2.150 320 E HA -0.056 4.294 4.350 0.000 0.000 0.193 320 E C 0.617 177.196 176.600 -0.034 0.000 0.985 320 E CA 0.923 57.297 56.400 -0.044 0.000 0.814 320 E CB 0.216 29.900 29.700 -0.027 0.000 0.752 320 E HN 0.428 nan 8.360 nan 0.000 0.466 321 R N -0.021 120.467 120.500 -0.020 0.000 2.561 321 R HA 0.341 4.681 4.340 0.000 0.000 0.266 321 R C -2.083 174.219 176.300 0.004 0.000 1.091 321 R CA -0.325 55.769 56.100 -0.010 0.000 0.927 321 R CB 1.986 32.283 30.300 -0.005 0.000 1.240 321 R HN -0.135 nan 8.270 nan 0.000 0.449 322 V N 4.257 124.177 119.914 0.009 0.000 2.531 322 V HA 0.511 4.631 4.120 0.000 0.000 0.301 322 V C -0.637 175.472 176.094 0.025 0.000 1.034 322 V CA -0.709 61.606 62.300 0.025 0.000 0.865 322 V CB 1.812 33.654 31.823 0.032 0.000 0.995 322 V HN 0.676 nan 8.190 nan 0.000 0.424 323 R N 5.700 126.213 120.500 0.023 0.000 2.310 323 R HA 0.703 5.043 4.340 0.000 0.000 0.324 323 R C -1.399 174.909 176.300 0.013 0.000 0.955 323 R CA -0.454 55.659 56.100 0.021 0.000 0.830 323 R CB 1.042 31.348 30.300 0.010 0.000 1.154 323 R HN 0.702 nan 8.270 nan 0.000 0.458 324 I N 3.451 124.054 120.570 0.055 0.000 2.406 324 I HA 0.326 4.496 4.170 0.000 0.000 0.290 324 I C -0.080 176.105 176.117 0.115 0.000 0.999 324 I CA -0.723 60.617 61.300 0.066 0.000 1.124 324 I CB 2.237 40.328 38.000 0.153 0.000 1.289 324 I HN 0.559 nan 8.210 nan 0.000 0.441 325 T N 3.888 118.396 114.554 -0.077 0.000 2.942 325 T HA 0.206 4.556 4.350 0.000 0.000 0.289 325 T C 0.886 175.195 174.700 -0.653 0.000 1.044 325 T CA -0.658 61.333 62.100 -0.182 0.000 1.023 325 T CB 2.200 70.990 68.868 -0.131 0.000 1.123 325 T HN 0.605 nan 8.240 nan 0.000 0.512 326 K N 0.419 120.311 120.400 -0.846 0.000 2.442 326 K HA -0.075 4.245 4.320 0.000 0.000 0.198 326 K C 0.365 176.689 176.600 -0.461 0.000 1.044 326 K CA 1.383 57.070 56.287 -1.001 0.000 0.948 326 K CB 0.201 32.409 32.500 -0.487 0.000 0.762 326 K HN 0.425 nan 8.250 nan 0.000 0.472 327 D N -0.687 119.522 120.400 -0.319 0.000 2.498 327 D HA 0.035 4.675 4.640 0.000 0.000 0.223 327 D C -0.351 175.822 176.300 -0.211 0.000 1.125 327 D CA 0.162 54.040 54.000 -0.202 0.000 0.835 327 D CB 0.930 41.653 40.800 -0.129 0.000 1.086 327 D HN 0.216 nan 8.370 nan 0.000 0.510 328 E N 0.438 120.487 120.200 -0.252 0.000 2.335 328 E HA 0.298 4.648 4.350 0.000 0.000 0.280 328 E C -1.441 174.968 176.600 -0.319 0.000 0.918 328 E CA -0.327 55.906 56.400 -0.279 0.000 0.765 328 E CB 1.987 31.574 29.700 -0.188 0.000 1.218 328 E HN -0.275 nan 8.360 nan 0.000 0.425 329 T N 2.398 116.644 114.554 -0.514 0.000 2.824 329 T HA 0.525 4.875 4.350 0.000 0.000 0.280 329 T C -0.891 173.667 174.700 -0.238 0.000 0.995 329 T CA -0.434 61.402 62.100 -0.439 0.000 1.009 329 T CB 1.565 69.967 68.868 -0.775 0.000 0.955 329 T HN 0.378 nan 8.240 nan 0.000 0.452 330 T N 3.193 117.706 114.554 -0.069 0.000 2.881 330 T HA 0.577 4.927 4.350 0.000 0.000 0.290 330 T C -0.421 174.318 174.700 0.064 0.000 1.000 330 T CA -0.561 61.543 62.100 0.007 0.000 0.978 330 T CB 0.843 69.699 68.868 -0.020 0.000 0.997 330 T HN 0.438 nan 8.240 nan 0.000 0.443 331 I N 2.901 123.538 120.570 0.110 0.000 2.382 331 I HA 0.443 4.613 4.170 0.000 0.000 0.285 331 I C -0.606 175.553 176.117 0.070 0.000 1.007 331 I CA -0.993 60.368 61.300 0.102 0.000 1.142 331 I CB 1.525 39.614 38.000 0.148 0.000 1.289 331 I HN 0.267 nan 8.210 nan 0.000 0.453 332 V N 5.035 124.972 119.914 0.037 0.000 2.435 332 V HA 0.658 4.778 4.120 0.000 0.000 0.290 332 V C 0.773 176.874 176.094 0.012 0.000 1.030 332 V CA -0.205 62.107 62.300 0.020 0.000 0.881 332 V CB 1.345 33.170 31.823 0.004 0.000 0.983 332 V HN 1.038 nan 8.190 nan 0.000 0.445 333 G N 3.620 112.428 108.800 0.013 0.000 2.255 333 G HA2 -0.099 3.861 3.960 0.000 0.000 0.239 333 G HA3 -0.099 3.861 3.960 0.000 0.000 0.239 333 G C 0.410 175.312 174.900 0.003 0.000 1.083 333 G CA -0.328 44.775 45.100 0.005 0.000 0.826 333 G HN 1.381 nan 8.290 nan 0.000 0.493 334 G N -0.364 108.446 108.800 0.016 0.000 2.305 334 G HA2 0.419 4.379 3.960 0.000 0.000 0.243 334 G HA3 0.419 4.379 3.960 0.000 0.000 0.243 334 G C 0.610 175.510 174.900 -0.001 0.000 1.288 334 G CA -0.058 45.047 45.100 0.010 0.000 0.901 334 G HN 0.486 nan 8.290 nan 0.000 0.516 335 K N 2.290 122.682 120.400 -0.012 0.000 2.593 335 K HA 0.188 4.508 4.320 0.000 0.000 0.208 335 K C 1.324 177.917 176.600 -0.012 0.000 1.051 335 K CA -0.244 56.035 56.287 -0.014 0.000 1.111 335 K CB 0.976 33.461 32.500 -0.026 0.000 0.849 335 K HN 0.543 nan 8.250 nan 0.000 0.479 336 G N 1.141 109.933 108.800 -0.013 0.000 2.599 336 G HA2 0.073 4.033 3.960 0.000 0.000 0.264 336 G HA3 0.073 4.033 3.960 0.000 0.000 0.264 336 G C -0.552 174.340 174.900 -0.013 0.000 1.200 336 G CA -0.582 44.507 45.100 -0.017 0.000 0.896 336 G HN 0.139 nan 8.290 nan 0.000 0.536 337 K N 0.576 120.966 120.400 -0.015 0.000 2.412 337 K HA 0.039 4.359 4.320 0.000 0.000 0.284 337 K C 1.313 177.906 176.600 -0.012 0.000 1.046 337 K CA -0.193 56.087 56.287 -0.012 0.000 0.999 337 K CB 1.446 33.938 32.500 -0.015 0.000 0.941 337 K HN 0.622 nan 8.250 nan 0.000 0.474 338 K N 3.463 123.859 120.400 -0.006 0.000 2.293 338 K HA -0.270 4.050 4.320 0.000 0.000 0.204 338 K C 0.626 177.222 176.600 -0.007 0.000 1.045 338 K CA 1.748 58.033 56.287 -0.003 0.000 0.933 338 K CB 0.212 32.712 32.500 -0.000 0.000 0.736 338 K HN 0.565 nan 8.250 nan 0.000 0.463 339 E N 0.446 120.640 120.200 -0.010 0.000 2.028 339 E HA -0.146 4.204 4.350 0.000 0.000 0.190 339 E C 1.753 178.344 176.600 -0.016 0.000 0.984 339 E CA 1.186 57.579 56.400 -0.012 0.000 0.800 339 E CB -0.078 29.614 29.700 -0.013 0.000 0.758 339 E HN 0.362 nan 8.360 nan 0.000 0.448 340 D N 1.095 121.482 120.400 -0.021 0.000 2.158 340 D HA -0.176 4.464 4.640 0.000 0.000 0.197 340 D C 2.075 178.356 176.300 -0.031 0.000 0.995 340 D CA 0.989 54.972 54.000 -0.029 0.000 0.846 340 D CB -0.170 40.608 40.800 -0.036 0.000 0.941 340 D HN 0.200 nan 8.370 nan 0.000 0.456 341 I N 1.284 121.839 120.570 -0.025 0.000 2.090 341 I HA -0.252 3.918 4.170 0.000 0.000 0.236 341 I C 2.277 178.387 176.117 -0.011 0.000 1.064 341 I CA 1.253 62.541 61.300 -0.020 0.000 1.324 341 I CB -0.323 37.673 38.000 -0.006 0.000 1.044 341 I HN -0.077 nan 8.210 nan 0.000 0.399 342 E N 0.839 121.036 120.200 -0.006 0.000 2.331 342 E HA -0.219 4.131 4.350 0.000 0.000 0.199 342 E C 2.147 178.743 176.600 -0.007 0.000 1.008 342 E CA 1.015 57.414 56.400 -0.003 0.000 0.843 342 E CB -0.172 29.527 29.700 -0.003 0.000 0.761 342 E HN 0.538 nan 8.360 nan 0.000 0.507 343 A N 1.440 124.252 122.820 -0.013 0.000 1.898 343 A HA -0.159 4.161 4.320 0.000 0.000 0.216 343 A C 2.014 179.588 177.584 -0.017 0.000 1.181 343 A CA 0.995 53.022 52.037 -0.016 0.000 0.620 343 A CB -0.090 18.897 19.000 -0.022 0.000 0.819 343 A HN 0.011 nan 8.150 nan 0.000 0.442 344 R N 0.101 120.588 120.500 -0.021 0.000 2.066 344 R HA 0.035 4.376 4.340 0.000 0.000 0.232 344 R C 2.003 178.300 176.300 -0.005 0.000 1.131 344 R CA 1.299 57.387 56.100 -0.020 0.000 0.955 344 R CB -1.326 28.953 30.300 -0.035 0.000 0.851 344 R HN 0.634 nan 8.270 nan 0.000 0.432 345 I N 1.747 122.319 120.570 0.002 0.000 2.145 345 I HA -0.369 3.801 4.170 0.000 0.000 0.244 345 I C 1.808 177.928 176.117 0.006 0.000 1.075 345 I CA 1.559 62.865 61.300 0.011 0.000 1.332 345 I CB -0.421 37.587 38.000 0.013 0.000 1.033 345 I HN 0.205 nan 8.210 nan 0.000 0.410 346 N N 0.900 119.600 118.700 0.001 0.000 2.173 346 N HA -0.070 4.670 4.740 0.000 0.000 0.184 346 N C 1.946 177.454 175.510 -0.002 0.000 1.025 346 N CA 1.559 54.609 53.050 -0.001 0.000 0.852 346 N CB -0.634 37.852 38.487 -0.003 0.000 0.998 346 N HN 0.403 nan 8.380 nan 0.000 0.427 347 G N 1.295 110.092 108.800 -0.005 0.000 2.501 347 G HA2 -0.163 3.797 3.960 0.000 0.000 0.220 347 G HA3 -0.163 3.797 3.960 0.000 0.000 0.220 347 G C 1.553 176.451 174.900 -0.003 0.000 1.114 347 G CA 0.100 45.197 45.100 -0.005 0.000 0.757 347 G HN 0.271 nan 8.290 nan 0.000 0.559 348 I N -0.518 120.052 120.570 -0.000 0.000 2.480 348 I HA 0.009 4.179 4.170 0.000 0.000 0.251 348 I C 2.635 178.753 176.117 0.002 0.000 1.124 348 I CA 0.786 62.088 61.300 0.002 0.000 1.444 348 I CB 0.046 38.051 38.000 0.009 0.000 1.098 348 I HN 0.084 nan 8.210 nan 0.000 0.428 349 K N 0.622 121.023 120.400 0.002 0.000 2.097 349 K HA -0.170 4.150 4.320 0.000 0.000 0.205 349 K C 2.031 178.631 176.600 0.000 0.000 1.050 349 K CA 1.226 57.514 56.287 0.001 0.000 0.938 349 K CB -0.043 32.458 32.500 0.002 0.000 0.718 349 K HN 0.289 nan 8.250 nan 0.000 0.442 350 K N 1.076 121.476 120.400 -0.000 0.000 2.026 350 K HA -0.189 4.132 4.320 0.000 0.000 0.208 350 K C 2.123 178.723 176.600 0.000 0.000 1.048 350 K CA 1.370 57.657 56.287 -0.000 0.000 0.929 350 K CB -0.034 32.465 32.500 -0.001 0.000 0.713 350 K HN 0.218 nan 8.250 nan 0.000 0.439 351 E N 0.917 121.117 120.200 0.000 0.000 2.347 351 E HA -0.156 4.194 4.350 0.000 0.000 0.196 351 E C 1.796 178.396 176.600 0.001 0.000 1.008 351 E CA 0.273 56.673 56.400 0.001 0.000 0.852 351 E CB 0.156 29.857 29.700 0.001 0.000 0.783 351 E HN 0.074 nan 8.360 nan 0.000 0.505 352 L N 1.243 122.466 121.223 -0.001 0.000 2.156 352 L HA -0.068 4.272 4.340 0.000 0.000 0.208 352 L C 1.614 178.483 176.870 -0.000 0.000 1.095 352 L CA 1.686 56.525 54.840 -0.002 0.000 0.770 352 L CB -0.071 41.986 42.059 -0.003 0.000 0.914 352 L HN 0.094 nan 8.230 nan 0.000 0.439 353 E N -1.826 118.374 120.200 0.001 0.000 2.285 353 E HA -0.084 4.266 4.350 0.000 0.000 0.194 353 E C 1.543 178.145 176.600 0.004 0.000 0.997 353 E CA 1.217 57.619 56.400 0.002 0.000 0.845 353 E CB 0.050 29.751 29.700 0.002 0.000 0.782 353 E HN 0.419 nan 8.360 nan 0.000 0.491 354 T N 0.404 114.960 114.554 0.004 0.000 3.081 354 T HA 0.018 4.368 4.350 0.000 0.000 0.255 354 T C 0.745 175.450 174.700 0.008 0.000 1.113 354 T CA 0.321 62.424 62.100 0.006 0.000 1.082 354 T CB 0.209 69.080 68.868 0.006 0.000 0.939 354 T HN 0.025 nan 8.240 nan 0.000 0.506 355 T N 3.139 117.698 114.554 0.007 0.000 2.913 355 T HA 0.145 4.495 4.350 0.000 0.000 0.297 355 T C 0.834 175.541 174.700 0.013 0.000 1.029 355 T CA -0.388 61.718 62.100 0.010 0.000 1.104 355 T CB 0.786 69.656 68.868 0.004 0.000 0.964 355 T HN 0.401 nan 8.240 nan 0.000 0.532 356 D N -0.092 120.319 120.400 0.019 0.000 2.403 356 D HA -0.005 4.635 4.640 0.000 0.000 0.280 356 D C 0.665 176.983 176.300 0.030 0.000 1.091 356 D CA -0.101 53.912 54.000 0.021 0.000 0.884 356 D CB -0.117 40.695 40.800 0.020 0.000 1.427 356 D HN 0.506 nan 8.370 nan 0.000 0.504 357 S N 0.991 116.715 115.700 0.040 0.000 2.455 357 S HA 0.153 4.623 4.470 0.000 0.000 0.278 357 S C 0.930 175.570 174.600 0.066 0.000 1.216 357 S CA -0.506 57.731 58.200 0.062 0.000 1.055 357 S CB 1.676 64.929 63.200 0.088 0.000 0.939 357 S HN 0.056 nan 8.310 nan 0.000 0.494 358 E N 1.632 121.873 120.200 0.067 0.000 2.147 358 E HA -0.262 4.088 4.350 0.000 0.000 0.199 358 E C 1.128 177.774 176.600 0.076 0.000 1.005 358 E CA 1.780 58.216 56.400 0.060 0.000 0.810 358 E CB -0.352 29.386 29.700 0.063 0.000 0.736 358 E HN 0.931 nan 8.360 nan 0.000 0.460 359 Y N 1.152 121.460 120.300 0.014 0.000 2.114 359 Y HA -0.205 4.345 4.550 0.000 0.000 0.284 359 Y C 2.327 178.240 175.900 0.022 0.000 1.143 359 Y CA 1.385 59.495 58.100 0.017 0.000 1.135 359 Y CB -0.612 37.857 38.460 0.016 0.000 0.980 359 Y HN -0.009 nan 8.280 nan 0.000 0.499 360 A N 0.622 123.390 122.820 -0.087 0.000 1.940 360 A HA -0.231 4.089 4.320 0.000 0.000 0.219 360 A C 2.311 179.803 177.584 -0.153 0.000 1.176 360 A CA 1.944 53.895 52.037 -0.145 0.000 0.631 360 A CB -0.673 18.326 19.000 -0.002 0.000 0.814 360 A HN 0.564 nan 8.150 nan 0.000 0.446 361 R N -0.354 120.092 120.500 -0.090 0.000 2.080 361 R HA -0.155 4.185 4.340 0.000 0.000 0.236 361 R C 2.151 178.394 176.300 -0.095 0.000 1.137 361 R CA 1.743 57.803 56.100 -0.066 0.000 0.943 361 R CB -0.430 29.853 30.300 -0.029 0.000 0.846 361 R HN 0.682 nan 8.270 nan 0.000 0.431 362 E N 0.663 120.788 120.200 -0.125 0.000 2.160 362 E HA -0.214 4.136 4.350 0.000 0.000 0.195 362 E C 1.836 178.343 176.600 -0.154 0.000 0.991 362 E CA 1.262 57.591 56.400 -0.119 0.000 0.810 362 E CB 0.028 29.666 29.700 -0.104 0.000 0.742 362 E HN 0.405 nan 8.360 nan 0.000 0.466 363 K N 0.489 120.736 120.400 -0.255 0.000 1.984 363 K HA -0.121 4.199 4.320 0.000 0.000 0.209 363 K C 2.138 178.679 176.600 -0.098 0.000 1.046 363 K CA 0.940 57.102 56.287 -0.207 0.000 0.934 363 K CB -0.291 32.054 32.500 -0.259 0.000 0.717 363 K HN -0.007 nan 8.250 nan 0.000 0.438 364 L N 2.073 123.247 121.223 -0.082 0.000 2.127 364 L HA -0.201 4.139 4.340 0.000 0.000 0.211 364 L C 2.542 179.398 176.870 -0.023 0.000 1.089 364 L CA 1.573 56.392 54.840 -0.034 0.000 0.757 364 L CB -0.706 41.337 42.059 -0.027 0.000 0.899 364 L HN 0.185 nan 8.230 nan 0.000 0.434 365 Q N 0.136 119.913 119.800 -0.038 0.000 2.077 365 Q HA -0.252 4.088 4.340 0.000 0.000 0.206 365 Q C 2.160 178.149 176.000 -0.019 0.000 0.989 365 Q CA 2.110 57.898 55.803 -0.025 0.000 0.853 365 Q CB -0.438 28.281 28.738 -0.032 0.000 0.907 365 Q HN 0.794 nan 8.270 nan 0.000 0.418 366 E N 0.200 120.382 120.200 -0.031 0.000 2.072 366 E HA -0.148 4.202 4.350 0.000 0.000 0.191 366 E C 2.082 178.667 176.600 -0.026 0.000 0.985 366 E CA 0.678 57.058 56.400 -0.034 0.000 0.801 366 E CB -0.310 29.362 29.700 -0.046 0.000 0.750 366 E HN 0.199 nan 8.360 nan 0.000 0.452 367 R N 0.255 120.758 120.500 0.005 0.000 2.073 367 R HA -0.117 4.223 4.340 0.000 0.000 0.234 367 R C 2.538 178.889 176.300 0.086 0.000 1.134 367 R CA 1.401 57.547 56.100 0.077 0.000 0.952 367 R CB -0.520 29.841 30.300 0.102 0.000 0.850 367 R HN 0.193 nan 8.270 nan 0.000 0.433 368 L N 0.699 121.949 121.223 0.045 0.000 2.042 368 L HA -0.146 4.194 4.340 0.000 0.000 0.210 368 L C 2.118 179.011 176.870 0.039 0.000 1.076 368 L CA 2.102 56.966 54.840 0.039 0.000 0.749 368 L CB -0.561 41.510 42.059 0.019 0.000 0.893 368 L HN 0.154 nan 8.230 nan 0.000 0.432 369 A N -1.440 121.394 122.820 0.022 0.000 2.067 369 A HA -0.100 4.220 4.320 0.000 0.000 0.217 369 A C 2.256 179.852 177.584 0.021 0.000 1.156 369 A CA 1.197 53.245 52.037 0.018 0.000 0.683 369 A CB -0.341 18.660 19.000 0.002 0.000 0.808 369 A HN 0.494 nan 8.150 nan 0.000 0.455 370 K N -0.225 120.185 120.400 0.015 0.000 1.991 370 K HA 0.057 4.377 4.320 0.000 0.000 0.207 370 K C 1.806 178.473 176.600 0.110 0.000 1.045 370 K CA 1.228 57.518 56.287 0.006 0.000 0.937 370 K CB -0.370 32.042 32.500 -0.146 0.000 0.720 370 K HN 0.412 nan 8.250 nan 0.000 0.438 371 L N 1.302 122.626 121.223 0.169 0.000 1.970 371 L HA -0.135 4.205 4.340 0.000 0.000 0.212 371 L C 1.476 178.402 176.870 0.094 0.000 1.071 371 L CA 0.739 55.669 54.840 0.150 0.000 0.751 371 L CB -0.661 41.469 42.059 0.119 0.000 0.889 371 L HN 0.147 nan 8.230 nan 0.000 0.432 372 A N -0.681 122.182 122.820 0.072 0.000 2.327 372 A HA 0.408 4.729 4.320 0.000 0.000 0.255 372 A C 1.462 179.089 177.584 0.072 0.000 1.099 372 A CA 0.356 52.429 52.037 0.059 0.000 0.801 372 A CB -0.144 18.881 19.000 0.043 0.000 1.062 372 A HN 0.570 nan 8.150 nan 0.000 0.496 373 G N -0.577 108.273 108.800 0.083 0.000 2.746 373 G HA2 0.026 3.986 3.960 0.000 0.000 0.236 373 G HA3 0.026 3.986 3.960 0.000 0.000 0.236 373 G C 1.846 176.841 174.900 0.159 0.000 1.172 373 G CA 1.503 46.679 45.100 0.127 0.000 0.736 373 G HN 2.989 nan 8.290 nan 0.000 0.519 374 G N -1.771 107.094 108.800 0.108 0.000 2.527 374 G HA2 0.066 4.026 3.960 0.000 0.000 0.262 374 G HA3 0.066 4.026 3.960 0.000 0.000 0.262 374 G C 0.108 175.041 174.900 0.055 0.000 1.153 374 G CA 1.104 46.263 45.100 0.098 0.000 0.954 374 G HN 1.772 nan 8.290 nan 0.000 0.552 375 V N 1.479 121.406 119.914 0.022 0.000 2.454 375 V HA 0.660 4.780 4.120 0.000 0.000 0.267 375 V C 0.685 176.678 176.094 -0.170 0.000 0.993 375 V CA 0.053 62.324 62.300 -0.049 0.000 0.836 375 V CB 0.706 32.520 31.823 -0.014 0.000 1.055 375 V HN 1.974 nan 8.190 nan 0.000 0.452 376 A N 4.580 127.208 122.820 -0.320 0.000 2.515 376 A HA 0.513 4.833 4.320 0.000 0.000 0.263 376 A C -0.079 177.283 177.584 -0.369 0.000 1.096 376 A CA 0.346 51.994 52.037 -0.649 0.000 0.769 376 A CB 0.140 18.710 19.000 -0.717 0.000 1.040 376 A HN 0.633 nan 8.150 nan 0.000 0.505 377 V N 4.397 124.118 119.914 -0.321 0.000 2.581 377 V HA 0.376 4.497 4.120 0.000 0.000 0.303 377 V C 0.092 176.100 176.094 -0.143 0.000 1.041 377 V CA -0.348 61.851 62.300 -0.169 0.000 0.907 377 V CB 1.818 33.584 31.823 -0.095 0.000 0.994 377 V HN 0.720 nan 8.190 nan 0.000 0.442 378 I N 5.107 125.620 120.570 -0.094 0.000 2.503 378 I HA 0.366 4.536 4.170 0.000 0.000 0.277 378 I C 0.145 176.250 176.117 -0.020 0.000 1.078 378 I CA -0.627 60.630 61.300 -0.072 0.000 1.184 378 I CB 0.565 38.513 38.000 -0.087 0.000 1.353 378 I HN 0.461 nan 8.210 nan 0.000 0.490 379 R N 4.076 124.569 120.500 -0.012 0.000 2.458 379 R HA 0.167 4.507 4.340 0.000 0.000 0.303 379 R C -0.461 175.865 176.300 0.043 0.000 1.013 379 R CA -0.145 55.964 56.100 0.015 0.000 1.026 379 R CB 0.667 30.974 30.300 0.011 0.000 0.948 379 R HN 0.246 nan 8.270 nan 0.000 0.417 380 V N 3.143 123.105 119.914 0.080 0.000 2.406 380 V HA 0.294 4.414 4.120 0.000 0.000 0.272 380 V C 1.062 177.220 176.094 0.107 0.000 1.043 380 V CA -0.586 61.802 62.300 0.147 0.000 0.915 380 V CB 1.452 33.398 31.823 0.205 0.000 0.988 380 V HN 0.839 nan 8.190 nan 0.000 0.466 381 G N 3.300 112.169 108.800 0.115 0.000 2.356 381 G HA2 0.713 4.673 3.960 0.000 0.000 0.298 381 G HA3 0.713 4.673 3.960 0.000 0.000 0.298 381 G C -0.178 174.766 174.900 0.073 0.000 1.145 381 G CA 0.404 45.550 45.100 0.076 0.000 0.850 381 G HN 1.081 nan 8.290 nan 0.000 0.487 382 A N 0.983 123.828 122.820 0.041 0.000 3.005 382 A HA 0.938 5.258 4.320 0.000 0.000 0.282 382 A C 0.550 178.144 177.584 0.016 0.000 1.218 382 A CA 0.347 52.398 52.037 0.023 0.000 0.703 382 A CB 0.725 19.728 19.000 0.006 0.000 1.387 382 A HN 1.805 nan 8.150 nan 0.000 0.592 383 A N -1.921 120.902 122.820 0.006 0.000 2.167 383 A HA 0.530 4.850 4.320 0.000 0.000 0.184 383 A C 0.557 178.141 177.584 -0.000 0.000 1.675 383 A CA 1.302 53.342 52.037 0.005 0.000 1.215 383 A CB 0.047 19.050 19.000 0.005 0.000 1.427 383 A HN 0.816 nan 8.150 nan 0.000 0.457 384 T N -0.812 113.739 114.554 -0.005 0.000 2.924 384 T HA 0.348 4.698 4.350 0.000 0.000 0.291 384 T C 0.619 175.312 174.700 -0.012 0.000 1.045 384 T CA -0.216 61.878 62.100 -0.009 0.000 1.015 384 T CB 2.256 71.117 68.868 -0.013 0.000 1.103 384 T HN 0.301 nan 8.240 nan 0.000 0.496 385 E N 0.583 120.776 120.200 -0.012 0.000 2.204 385 E HA -0.119 4.231 4.350 0.000 0.000 0.194 385 E C 1.324 177.912 176.600 -0.021 0.000 0.989 385 E CA 1.172 57.564 56.400 -0.013 0.000 0.824 385 E CB 0.132 29.825 29.700 -0.012 0.000 0.756 385 E HN 0.643 nan 8.360 nan 0.000 0.477 386 T N 0.433 114.973 114.554 -0.023 0.000 2.706 386 T HA -0.166 4.184 4.350 0.000 0.000 0.255 386 T C 1.674 176.350 174.700 -0.039 0.000 1.048 386 T CA 1.183 63.264 62.100 -0.031 0.000 1.153 386 T CB -0.383 68.468 68.868 -0.028 0.000 0.865 386 T HN 0.286 nan 8.240 nan 0.000 0.414 387 E N 0.556 120.735 120.200 -0.035 0.000 2.187 387 E HA -0.211 4.139 4.350 0.000 0.000 0.199 387 E C 2.071 178.635 176.600 -0.060 0.000 1.004 387 E CA 0.942 57.315 56.400 -0.045 0.000 0.813 387 E CB -0.177 29.505 29.700 -0.030 0.000 0.736 387 E HN 0.276 nan 8.360 nan 0.000 0.468 388 L N 1.199 122.397 121.223 -0.043 0.000 2.007 388 L HA -0.130 4.210 4.340 0.000 0.000 0.205 388 L C 2.131 178.968 176.870 -0.055 0.000 1.073 388 L CA 1.862 56.677 54.840 -0.042 0.000 0.744 388 L CB -0.316 41.733 42.059 -0.017 0.000 0.898 388 L HN -0.056 nan 8.230 nan 0.000 0.435 389 K N -0.544 119.831 120.400 -0.042 0.000 2.127 389 K HA -0.266 4.054 4.320 0.000 0.000 0.208 389 K C 2.091 178.662 176.600 -0.049 0.000 1.047 389 K CA 1.786 58.050 56.287 -0.038 0.000 0.927 389 K CB -0.295 32.178 32.500 -0.045 0.000 0.716 389 K HN 0.471 nan 8.250 nan 0.000 0.450 390 E N 1.518 121.671 120.200 -0.077 0.000 2.016 390 E HA -0.170 4.180 4.350 0.000 0.000 0.190 390 E C 1.798 178.292 176.600 -0.178 0.000 0.985 390 E CA 1.282 57.626 56.400 -0.094 0.000 0.802 390 E CB 0.157 29.800 29.700 -0.095 0.000 0.762 390 E HN 0.221 nan 8.360 nan 0.000 0.448 391 K N 0.651 120.872 120.400 -0.299 0.000 2.063 391 K HA -0.200 4.120 4.320 0.000 0.000 0.208 391 K C 2.251 178.489 176.600 -0.603 0.000 1.048 391 K CA 1.465 57.327 56.287 -0.707 0.000 0.928 391 K CB -0.188 31.933 32.500 -0.632 0.000 0.713 391 K HN -0.093 nan 8.250 nan 0.000 0.442 392 K N 1.122 121.391 120.400 -0.217 0.000 2.001 392 K HA -0.256 4.064 4.320 0.000 0.000 0.214 392 K C 2.014 178.607 176.600 -0.013 0.000 1.050 392 K CA 2.058 58.316 56.287 -0.048 0.000 0.934 392 K CB -0.659 31.843 32.500 0.002 0.000 0.718 392 K HN 0.209 nan 8.250 nan 0.000 0.443 393 H N -0.093 118.915 119.070 -0.104 0.000 2.267 393 H HA -0.025 4.531 4.556 0.000 0.000 0.297 393 H C 2.223 177.510 175.328 -0.068 0.000 1.080 393 H CA 2.547 58.554 56.048 -0.069 0.000 1.278 393 H CB -0.166 29.554 29.762 -0.070 0.000 1.365 393 H HN 0.272 nan 8.280 nan 0.000 0.489 394 R N -0.470 119.979 120.500 -0.085 0.000 2.115 394 R HA -0.196 4.144 4.340 0.000 0.000 0.239 394 R C 2.417 178.713 176.300 -0.007 0.000 1.133 394 R CA 2.404 58.434 56.100 -0.118 0.000 0.935 394 R CB -0.634 29.541 30.300 -0.209 0.000 0.853 394 R HN 0.417 nan 8.270 nan 0.000 0.433 395 F N 0.083 120.008 119.950 -0.042 0.000 2.134 395 F HA -0.199 4.328 4.527 0.000 0.000 0.299 395 F C 2.622 178.379 175.800 -0.072 0.000 1.097 395 F CA 0.976 58.948 58.000 -0.047 0.000 1.264 395 F CB -0.224 38.758 39.000 -0.030 0.000 1.001 395 F HN 0.330 nan 8.300 nan 0.000 0.479 396 E N 0.712 120.964 120.200 0.088 0.000 2.077 396 E HA -0.223 4.127 4.350 0.000 0.000 0.193 396 E C 1.671 178.232 176.600 -0.065 0.000 0.989 396 E CA 1.542 57.938 56.400 -0.005 0.000 0.800 396 E CB -0.000 29.674 29.700 -0.044 0.000 0.746 396 E HN 0.295 nan 8.360 nan 0.000 0.452 397 D N 0.185 120.499 120.400 -0.145 0.000 2.084 397 D HA -0.154 4.486 4.640 0.000 0.000 0.194 397 D C 1.904 178.168 176.300 -0.059 0.000 0.990 397 D CA 1.351 55.262 54.000 -0.147 0.000 0.826 397 D CB -0.470 40.194 40.800 -0.227 0.000 0.971 397 D HN 0.272 nan 8.370 nan 0.000 0.453 398 A N 1.058 123.869 122.820 -0.014 0.000 1.927 398 A HA -0.221 4.099 4.320 0.000 0.000 0.220 398 A C 2.166 179.748 177.584 -0.004 0.000 1.185 398 A CA 1.482 53.528 52.037 0.015 0.000 0.639 398 A CB -0.801 18.246 19.000 0.078 0.000 0.820 398 A HN 0.261 nan 8.150 nan 0.000 0.451 399 L N 0.633 121.853 121.223 -0.006 0.000 1.973 399 L HA -0.172 4.168 4.340 0.000 0.000 0.208 399 L C 1.991 178.844 176.870 -0.028 0.000 1.073 399 L CA 2.493 57.320 54.840 -0.022 0.000 0.746 399 L CB -0.984 41.061 42.059 -0.024 0.000 0.891 399 L HN 0.415 nan 8.230 nan 0.000 0.433 400 N N 0.364 119.043 118.700 -0.035 0.000 2.094 400 N HA -0.235 4.505 4.740 0.000 0.000 0.191 400 N C 1.772 177.264 175.510 -0.030 0.000 1.023 400 N CA 1.695 54.723 53.050 -0.036 0.000 0.857 400 N CB -0.542 37.919 38.487 -0.044 0.000 1.013 400 N HN 0.571 nan 8.380 nan 0.000 0.426 401 A N 1.267 124.069 122.820 -0.029 0.000 1.841 401 A HA -0.170 4.150 4.320 0.000 0.000 0.216 401 A C 2.464 180.037 177.584 -0.018 0.000 1.199 401 A CA 2.518 54.541 52.037 -0.023 0.000 0.621 401 A CB -1.372 17.615 19.000 -0.021 0.000 0.835 401 A HN 0.348 nan 8.150 nan 0.000 0.445 402 T N 0.138 114.681 114.554 -0.018 0.000 2.699 402 T HA -0.211 4.140 4.350 0.000 0.000 0.268 402 T C 1.983 176.673 174.700 -0.016 0.000 1.036 402 T CA 1.684 63.774 62.100 -0.016 0.000 1.147 402 T CB -0.357 68.500 68.868 -0.019 0.000 0.862 402 T HN 0.495 nan 8.240 nan 0.000 0.446 403 R N 1.092 121.581 120.500 -0.020 0.000 2.081 403 R HA 0.050 4.390 4.340 0.000 0.000 0.235 403 R C 2.891 179.182 176.300 -0.015 0.000 1.131 403 R CA 1.355 57.444 56.100 -0.019 0.000 0.960 403 R CB -0.602 29.684 30.300 -0.023 0.000 0.856 403 R HN 0.427 nan 8.270 nan 0.000 0.436 404 A N 1.543 124.354 122.820 -0.015 0.000 1.898 404 A HA -0.039 4.281 4.320 0.000 0.000 0.216 404 A C 2.442 180.020 177.584 -0.009 0.000 1.181 404 A CA 1.455 53.485 52.037 -0.012 0.000 0.620 404 A CB -0.565 18.427 19.000 -0.013 0.000 0.819 404 A HN 0.367 nan 8.150 nan 0.000 0.442 405 A N -0.453 122.361 122.820 -0.010 0.000 1.948 405 A HA -0.091 4.229 4.320 0.000 0.000 0.220 405 A C 2.175 179.755 177.584 -0.006 0.000 1.177 405 A CA 2.024 54.056 52.037 -0.008 0.000 0.636 405 A CB -0.879 18.115 19.000 -0.009 0.000 0.815 405 A HN 0.440 nan 8.150 nan 0.000 0.449 406 V N -0.147 119.763 119.914 -0.006 0.000 2.548 406 V HA -0.205 3.915 4.120 0.000 0.000 0.249 406 V C 2.303 178.396 176.094 -0.002 0.000 1.055 406 V CA 1.962 64.260 62.300 -0.004 0.000 1.065 406 V CB -0.748 31.072 31.823 -0.005 0.000 0.681 406 V HN 0.641 nan 8.190 nan 0.000 0.462 407 E N 0.267 120.465 120.200 -0.003 0.000 2.072 407 E HA -0.185 4.165 4.350 0.000 0.000 0.191 407 E C 1.423 178.024 176.600 0.001 0.000 0.985 407 E CA 1.396 57.795 56.400 -0.001 0.000 0.801 407 E CB 0.004 29.703 29.700 -0.002 0.000 0.750 407 E HN 0.650 nan 8.360 nan 0.000 0.452 408 E N -0.701 119.499 120.200 -0.000 0.000 2.759 408 E HA 0.229 4.579 4.350 0.000 0.000 0.220 408 E C 0.032 176.633 176.600 0.001 0.000 0.974 408 E CA 0.059 56.460 56.400 0.001 0.000 1.148 408 E CB 1.560 31.261 29.700 0.002 0.000 1.059 408 E HN 0.240 nan 8.360 nan 0.000 0.493 409 G N 2.083 110.883 108.800 0.000 0.000 2.782 409 G HA2 -0.253 3.707 3.960 0.000 0.000 0.228 409 G HA3 -0.253 3.707 3.960 0.000 0.000 0.228 409 G C -0.222 174.677 174.900 -0.001 0.000 1.372 409 G CA -0.218 44.882 45.100 0.000 0.000 0.862 409 G HN 0.266 nan 8.290 nan 0.000 0.547 410 I N -2.237 118.333 120.570 -0.000 0.000 2.740 410 I HA 0.907 5.077 4.170 0.000 0.000 0.303 410 I C 0.432 176.550 176.117 0.001 0.000 1.044 410 I CA -1.273 60.026 61.300 -0.001 0.000 1.064 410 I CB 2.077 40.075 38.000 -0.003 0.000 1.249 410 I HN 1.233 nan 8.210 nan 0.000 0.433 411 V N 0.471 120.385 119.914 -0.000 0.000 3.102 411 V HA 0.717 4.837 4.120 0.000 0.000 0.312 411 V C -2.854 173.239 176.094 -0.001 0.000 1.135 411 V CA -2.650 59.652 62.300 0.003 0.000 1.022 411 V CB 1.257 33.083 31.823 0.004 0.000 1.056 411 V HN 0.636 nan 8.190 nan 0.000 0.436 412 P HA 0.305 nan 4.420 nan 0.000 0.268 412 P C 0.296 177.588 177.300 -0.013 0.000 1.204 412 P CA 0.840 63.938 63.100 -0.004 0.000 0.768 412 P CB 0.565 32.269 31.700 0.007 0.000 0.842 413 G N 1.503 110.287 108.800 -0.027 0.000 2.543 413 G HA2 0.445 4.406 3.960 0.000 0.000 0.267 413 G HA3 0.445 4.406 3.960 0.000 0.000 0.267 413 G C 0.578 175.450 174.900 -0.046 0.000 1.406 413 G CA -0.438 44.642 45.100 -0.034 0.000 1.048 413 G HN 0.777 nan 8.290 nan 0.000 0.548 414 G N -2.052 106.716 108.800 -0.052 0.000 2.249 414 G HA2 0.210 4.170 3.960 0.000 0.000 0.273 414 G HA3 0.210 4.170 3.960 0.000 0.000 0.273 414 G C 1.554 176.433 174.900 -0.035 0.000 1.036 414 G CA 1.160 46.224 45.100 -0.061 0.000 0.824 414 G HN 2.474 nan 8.290 nan 0.000 0.504 415 G N -2.471 106.317 108.800 -0.020 0.000 2.284 415 G HA2 -0.301 3.659 3.960 0.000 0.000 0.261 415 G HA3 -0.301 3.659 3.960 0.000 0.000 0.261 415 G C 1.618 176.519 174.900 0.001 0.000 0.997 415 G CA 1.421 46.517 45.100 -0.006 0.000 0.621 415 G HN 1.524 nan 8.290 nan 0.000 0.534 416 V N 0.886 120.798 119.914 -0.003 0.000 2.317 416 V HA -0.277 3.844 4.120 0.000 0.000 0.251 416 V C 2.955 179.062 176.094 0.021 0.000 1.065 416 V CA 3.220 65.527 62.300 0.012 0.000 1.049 416 V CB -1.092 30.732 31.823 0.002 0.000 0.651 416 V HN 0.585 nan 8.190 nan 0.000 0.450 417 T N -0.024 114.538 114.554 0.013 0.000 2.746 417 T HA -0.111 4.239 4.350 0.000 0.000 0.267 417 T C 1.867 176.577 174.700 0.018 0.000 1.039 417 T CA 1.442 63.552 62.100 0.016 0.000 1.142 417 T CB -0.286 68.588 68.868 0.010 0.000 0.866 417 T HN 0.322 nan 8.240 nan 0.000 0.444 418 L N 0.393 121.624 121.223 0.014 0.000 2.131 418 L HA -0.046 4.294 4.340 0.000 0.000 0.210 418 L C 2.394 179.276 176.870 0.019 0.000 1.092 418 L CA 0.912 55.761 54.840 0.014 0.000 0.759 418 L CB -0.497 41.568 42.059 0.010 0.000 0.903 418 L HN 0.283 nan 8.230 nan 0.000 0.435 419 L N -0.857 120.381 121.223 0.025 0.000 1.994 419 L HA -0.183 4.157 4.340 0.000 0.000 0.208 419 L C 2.708 179.599 176.870 0.035 0.000 1.071 419 L CA 0.938 55.797 54.840 0.032 0.000 0.745 419 L CB -0.560 41.524 42.059 0.043 0.000 0.892 419 L HN 0.236 nan 8.230 nan 0.000 0.431 420 R N 0.330 120.853 120.500 0.039 0.000 2.249 420 R HA -0.112 4.228 4.340 0.000 0.000 0.230 420 R C 1.982 178.299 176.300 0.029 0.000 1.121 420 R CA 1.152 57.275 56.100 0.039 0.000 0.997 420 R CB -0.999 29.326 30.300 0.041 0.000 0.867 420 R HN 0.372 nan 8.270 nan 0.000 0.465 421 A N 0.562 123.396 122.820 0.024 0.000 2.119 421 A HA 0.037 4.357 4.320 0.000 0.000 0.216 421 A C 2.169 179.764 177.584 0.018 0.000 1.152 421 A CA 0.273 52.321 52.037 0.019 0.000 0.708 421 A CB -0.261 18.749 19.000 0.016 0.000 0.805 421 A HN 0.158 nan 8.150 nan 0.000 0.460 422 I N 0.619 121.201 120.570 0.021 0.000 2.118 422 I HA -0.321 3.849 4.170 0.000 0.000 0.241 422 I C 2.736 178.864 176.117 0.017 0.000 1.070 422 I CA 1.688 63.000 61.300 0.019 0.000 1.327 422 I CB -0.491 37.522 38.000 0.022 0.000 1.034 422 I HN 0.348 nan 8.210 nan 0.000 0.405 423 S N 1.430 117.142 115.700 0.020 0.000 2.372 423 S HA -0.312 4.158 4.470 0.000 0.000 0.227 423 S C 2.262 176.870 174.600 0.014 0.000 1.044 423 S CA 1.498 59.708 58.200 0.017 0.000 1.050 423 S CB -0.871 62.341 63.200 0.019 0.000 0.901 423 S HN 0.570 nan 8.310 nan 0.000 0.447 424 A N 1.363 124.192 122.820 0.014 0.000 1.940 424 A HA -0.028 4.292 4.320 0.000 0.000 0.219 424 A C 2.410 180.000 177.584 0.011 0.000 1.176 424 A CA 1.758 53.802 52.037 0.012 0.000 0.631 424 A CB -0.992 18.015 19.000 0.012 0.000 0.814 424 A HN 0.409 nan 8.150 nan 0.000 0.446 425 V N 0.139 120.059 119.914 0.011 0.000 2.427 425 V HA -0.196 3.924 4.120 0.000 0.000 0.248 425 V C 2.430 178.529 176.094 0.009 0.000 1.051 425 V CA 1.830 64.136 62.300 0.010 0.000 1.048 425 V CB -0.831 30.998 31.823 0.011 0.000 0.666 425 V HN 0.505 nan 8.190 nan 0.000 0.456 426 E N 0.215 120.421 120.200 0.010 0.000 2.033 426 E HA -0.241 4.109 4.350 0.000 0.000 0.199 426 E C 2.302 178.907 176.600 0.008 0.000 1.011 426 E CA 1.408 57.813 56.400 0.009 0.000 0.815 426 E CB -0.341 29.366 29.700 0.010 0.000 0.755 426 E HN 0.570 nan 8.360 nan 0.000 0.451 427 E N 0.756 120.961 120.200 0.008 0.000 2.086 427 E HA -0.205 4.145 4.350 0.000 0.000 0.200 427 E C 2.245 178.849 176.600 0.007 0.000 1.012 427 E CA 0.670 57.074 56.400 0.007 0.000 0.812 427 E CB -0.481 29.223 29.700 0.008 0.000 0.743 427 E HN 0.153 nan 8.360 nan 0.000 0.453 428 L N 1.028 122.255 121.223 0.007 0.000 2.017 428 L HA -0.140 4.200 4.340 0.000 0.000 0.208 428 L C 2.283 179.156 176.870 0.006 0.000 1.073 428 L CA 1.472 56.316 54.840 0.006 0.000 0.745 428 L CB -0.592 41.471 42.059 0.007 0.000 0.894 428 L HN 0.066 nan 8.230 nan 0.000 0.432 429 I N -0.274 120.300 120.570 0.006 0.000 2.194 429 I HA -0.369 3.801 4.170 0.000 0.000 0.246 429 I C 2.350 178.470 176.117 0.005 0.000 1.093 429 I CA 1.665 62.969 61.300 0.006 0.000 1.355 429 I CB -0.533 37.471 38.000 0.006 0.000 1.046 429 I HN 0.285 nan 8.210 nan 0.000 0.413 430 K N 0.914 121.317 120.400 0.005 0.000 2.360 430 K HA -0.175 4.145 4.320 0.000 0.000 0.201 430 K C 1.506 178.108 176.600 0.004 0.000 1.046 430 K CA 1.157 57.447 56.287 0.005 0.000 0.940 430 K CB -0.107 32.396 32.500 0.005 0.000 0.748 430 K HN 0.415 nan 8.250 nan 0.000 0.465 431 K N 0.003 120.405 120.400 0.004 0.000 2.358 431 K HA 0.201 4.521 4.320 0.000 0.000 0.200 431 K C 0.114 176.716 176.600 0.004 0.000 1.030 431 K CA -0.038 56.251 56.287 0.004 0.000 1.097 431 K CB 0.534 33.037 32.500 0.004 0.000 0.862 431 K HN -0.013 nan 8.250 nan 0.000 0.534 432 L N 0.723 121.949 121.223 0.004 0.000 2.322 432 L HA 0.446 4.786 4.340 0.000 0.000 0.269 432 L C -0.405 176.468 176.870 0.004 0.000 1.012 432 L CA -0.754 54.088 54.840 0.004 0.000 0.815 432 L CB 1.851 43.912 42.059 0.004 0.000 1.295 432 L HN 0.041 nan 8.230 nan 0.000 0.438 433 E N 0.049 120.251 120.200 0.004 0.000 2.433 433 E HA 0.574 4.924 4.350 0.000 0.000 0.278 433 E C -0.377 176.226 176.600 0.004 0.000 0.976 433 E CA 0.032 56.434 56.400 0.004 0.000 0.793 433 E CB 2.255 31.957 29.700 0.003 0.000 1.311 433 E HN 0.743 nan 8.360 nan 0.000 0.460 434 G N 2.327 111.130 108.800 0.004 0.000 2.593 434 G HA2 -0.271 3.690 3.960 0.000 0.000 0.237 434 G HA3 -0.271 3.690 3.960 0.000 0.000 0.237 434 G C 0.306 175.208 174.900 0.004 0.000 1.312 434 G CA 0.196 45.299 45.100 0.004 0.000 0.896 434 G HN 0.673 nan 8.290 nan 0.000 0.574 435 D N 0.124 120.527 120.400 0.004 0.000 2.178 435 D HA -0.048 4.592 4.640 0.000 0.000 0.201 435 D C 2.073 178.376 176.300 0.005 0.000 0.980 435 D CA 1.452 55.455 54.000 0.005 0.000 0.842 435 D CB -0.126 40.677 40.800 0.005 0.000 0.948 435 D HN 0.630 nan 8.370 nan 0.000 0.472 436 E N 0.663 120.866 120.200 0.005 0.000 2.085 436 E HA -0.180 4.170 4.350 0.000 0.000 0.194 436 E C 1.996 178.599 176.600 0.005 0.000 0.994 436 E CA 1.171 57.574 56.400 0.005 0.000 0.801 436 E CB 0.043 29.746 29.700 0.004 0.000 0.743 436 E HN 0.177 nan 8.360 nan 0.000 0.453 437 A N -0.058 122.765 122.820 0.005 0.000 1.969 437 A HA -0.149 4.171 4.320 0.000 0.000 0.218 437 A C 2.327 179.914 177.584 0.005 0.000 1.169 437 A CA 1.825 53.865 52.037 0.005 0.000 0.635 437 A CB -0.771 18.232 19.000 0.005 0.000 0.810 437 A HN 0.310 nan 8.150 nan 0.000 0.445 438 T N -0.086 114.471 114.554 0.005 0.000 2.708 438 T HA -0.064 4.286 4.350 0.000 0.000 0.266 438 T C 2.019 176.723 174.700 0.006 0.000 1.037 438 T CA 1.516 63.620 62.100 0.006 0.000 1.146 438 T CB -0.756 68.115 68.868 0.006 0.000 0.865 438 T HN 0.585 nan 8.240 nan 0.000 0.435 439 G N 1.471 110.274 108.800 0.006 0.000 2.514 439 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 439 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 439 G C 1.880 176.784 174.900 0.006 0.000 1.198 439 G CA 1.180 46.284 45.100 0.006 0.000 0.780 439 G HN 0.596 nan 8.290 nan 0.000 0.565 440 A N 0.744 123.568 122.820 0.006 0.000 1.927 440 A HA -0.139 4.181 4.320 0.000 0.000 0.220 440 A C 2.322 179.910 177.584 0.007 0.000 1.185 440 A CA 2.256 54.297 52.037 0.007 0.000 0.639 440 A CB -0.431 18.573 19.000 0.006 0.000 0.820 440 A HN 0.445 nan 8.150 nan 0.000 0.451 441 K N -0.630 119.774 120.400 0.007 0.000 2.097 441 K HA -0.037 4.283 4.320 0.000 0.000 0.206 441 K C 1.817 178.422 176.600 0.008 0.000 1.049 441 K CA 1.384 57.675 56.287 0.007 0.000 0.933 441 K CB -0.356 32.148 32.500 0.007 0.000 0.717 441 K HN 0.569 nan 8.250 nan 0.000 0.442 442 I N 0.689 121.264 120.570 0.007 0.000 2.127 442 I HA -0.292 3.878 4.170 0.000 0.000 0.241 442 I C 2.244 178.366 176.117 0.008 0.000 1.075 442 I CA 1.177 62.482 61.300 0.007 0.000 1.334 442 I CB -0.360 37.644 38.000 0.007 0.000 1.040 442 I HN -0.069 nan 8.210 nan 0.000 0.405 443 V N 0.930 120.849 119.914 0.008 0.000 2.392 443 V HA -0.303 3.817 4.120 0.000 0.000 0.249 443 V C 2.638 178.738 176.094 0.009 0.000 1.059 443 V CA 2.038 64.343 62.300 0.008 0.000 1.051 443 V CB -0.848 30.980 31.823 0.008 0.000 0.658 443 V HN 0.441 nan 8.190 nan 0.000 0.455 444 R N 0.173 120.678 120.500 0.009 0.000 2.105 444 R HA -0.235 4.105 4.340 0.000 0.000 0.239 444 R C 2.430 178.737 176.300 0.011 0.000 1.135 444 R CA 1.892 57.999 56.100 0.011 0.000 0.967 444 R CB -0.202 30.104 30.300 0.011 0.000 0.861 444 R HN 0.376 nan 8.270 nan 0.000 0.442 445 R N 0.781 121.287 120.500 0.010 0.000 2.062 445 R HA 0.044 4.384 4.340 0.000 0.000 0.229 445 R C 1.976 178.282 176.300 0.010 0.000 1.128 445 R CA 1.892 57.998 56.100 0.010 0.000 0.960 445 R CB -0.948 29.357 30.300 0.009 0.000 0.855 445 R HN 0.286 nan 8.270 nan 0.000 0.432 446 A N 1.223 124.049 122.820 0.009 0.000 1.873 446 A HA -0.171 4.149 4.320 0.000 0.000 0.218 446 A C 2.283 179.873 177.584 0.010 0.000 1.193 446 A CA 1.939 53.981 52.037 0.009 0.000 0.629 446 A CB -1.015 17.990 19.000 0.008 0.000 0.826 446 A HN 0.395 nan 8.150 nan 0.000 0.447 447 L N -0.675 120.554 121.223 0.011 0.000 2.283 447 L HA -0.288 4.052 4.340 0.000 0.000 0.217 447 L C 2.364 179.242 176.870 0.013 0.000 1.104 447 L CA 1.749 56.596 54.840 0.012 0.000 0.772 447 L CB -0.642 41.425 42.059 0.014 0.000 0.899 447 L HN 0.537 nan 8.230 nan 0.000 0.439 448 E N -0.874 119.335 120.200 0.014 0.000 2.230 448 E HA -0.123 4.227 4.350 0.000 0.000 0.192 448 E C 1.989 178.597 176.600 0.012 0.000 0.987 448 E CA 0.096 56.505 56.400 0.015 0.000 0.841 448 E CB 0.142 29.851 29.700 0.015 0.000 0.783 448 E HN 0.392 nan 8.360 nan 0.000 0.481 449 E N 0.580 120.787 120.200 0.011 0.000 2.033 449 E HA -0.160 4.190 4.350 0.000 0.000 0.199 449 E C -0.670 175.936 176.600 0.009 0.000 1.011 449 E CA 1.355 57.761 56.400 0.010 0.000 0.815 449 E CB -1.637 28.068 29.700 0.009 0.000 0.755 449 E HN 0.226 nan 8.360 nan 0.000 0.451 450 P HA -0.202 nan 4.420 nan 0.000 0.213 450 P C 1.387 178.691 177.300 0.005 0.000 1.176 450 P CA 2.530 65.633 63.100 0.005 0.000 0.919 450 P CB -0.234 31.468 31.700 0.004 0.000 0.791 451 A N -0.535 122.289 122.820 0.006 0.000 1.873 451 A HA -0.288 4.032 4.320 0.000 0.000 0.218 451 A C 2.408 179.997 177.584 0.009 0.000 1.193 451 A CA 2.155 54.197 52.037 0.007 0.000 0.629 451 A CB -1.367 17.641 19.000 0.012 0.000 0.826 451 A HN 0.010 nan 8.150 nan 0.000 0.447 452 R N -1.192 119.312 120.500 0.008 0.000 2.082 452 R HA -0.241 4.099 4.340 0.000 0.000 0.234 452 R C 2.528 178.837 176.300 0.015 0.000 1.136 452 R CA 2.088 58.192 56.100 0.007 0.000 0.935 452 R CB -0.344 29.961 30.300 0.009 0.000 0.842 452 R HN 0.581 nan 8.270 nan 0.000 0.430 453 Q N 0.723 120.532 119.800 0.015 0.000 2.112 453 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 453 Q C 1.877 177.891 176.000 0.024 0.000 0.987 453 Q CA 1.930 57.744 55.803 0.019 0.000 0.858 453 Q CB -0.255 28.491 28.738 0.013 0.000 0.905 453 Q HN 0.470 nan 8.270 nan 0.000 0.420 454 I N -0.171 120.410 120.570 0.018 0.000 2.099 454 I HA -0.329 3.841 4.170 0.000 0.000 0.239 454 I C 2.256 178.397 176.117 0.041 0.000 1.066 454 I CA 1.170 62.481 61.300 0.017 0.000 1.324 454 I CB -0.727 37.272 38.000 -0.001 0.000 1.037 454 I HN 0.314 nan 8.210 nan 0.000 0.401 455 A N 0.229 123.079 122.820 0.051 0.000 1.917 455 A HA -0.306 4.014 4.320 0.000 0.000 0.219 455 A C 2.183 179.848 177.584 0.136 0.000 1.182 455 A CA 2.303 54.386 52.037 0.077 0.000 0.633 455 A CB -0.696 18.289 19.000 -0.025 0.000 0.819 455 A HN 0.454 nan 8.150 nan 0.000 0.448 456 E N 0.390 120.643 120.200 0.089 0.000 2.038 456 E HA -0.179 4.171 4.350 0.000 0.000 0.195 456 E C 1.886 178.546 176.600 0.100 0.000 1.000 456 E CA 1.641 58.095 56.400 0.090 0.000 0.803 456 E CB -0.193 29.537 29.700 0.050 0.000 0.750 456 E HN 0.607 nan 8.360 nan 0.000 0.448 457 N N 0.046 118.791 118.700 0.075 0.000 2.205 457 N HA -0.167 4.573 4.740 0.000 0.000 0.186 457 N C 1.376 176.945 175.510 0.097 0.000 1.015 457 N CA 1.265 54.354 53.050 0.065 0.000 0.862 457 N CB -0.320 38.191 38.487 0.040 0.000 0.986 457 N HN 0.233 nan 8.380 nan 0.000 0.429 458 A N 0.078 122.986 122.820 0.147 0.000 2.206 458 A HA 0.323 4.643 4.320 0.000 0.000 0.211 458 A C 1.331 179.143 177.584 0.379 0.000 1.158 458 A CA 0.894 53.068 52.037 0.228 0.000 0.761 458 A CB -0.336 18.769 19.000 0.175 0.000 0.801 458 A HN 0.336 nan 8.150 nan 0.000 0.473 459 G N -2.174 106.800 108.800 0.289 0.000 2.255 459 G HA2 -0.191 3.769 3.960 0.000 0.000 0.239 459 G HA3 -0.191 3.769 3.960 0.000 0.000 0.239 459 G C -0.395 174.529 174.900 0.040 0.000 1.083 459 G CA 0.163 45.344 45.100 0.134 0.000 0.826 459 G HN 0.419 nan 8.290 nan 0.000 0.493 460 Y N -0.822 119.495 120.300 0.028 0.000 2.605 460 Y HA 0.559 5.109 4.550 0.000 0.000 0.343 460 Y C 0.565 176.443 175.900 -0.036 0.000 1.036 460 Y CA -1.536 56.561 58.100 -0.005 0.000 1.065 460 Y CB 1.110 39.553 38.460 -0.029 0.000 1.288 460 Y HN 0.147 nan 8.280 nan 0.000 0.481 461 E N 1.115 121.375 120.200 0.100 0.000 1.944 461 E HA 0.122 4.472 4.350 0.000 0.000 0.272 461 E C 0.805 177.413 176.600 0.013 0.000 1.195 461 E CA 0.153 56.576 56.400 0.038 0.000 0.926 461 E CB 0.630 30.340 29.700 0.017 0.000 1.051 461 E HN 0.960 nan 8.360 nan 0.000 0.404 462 G N 3.147 111.958 108.800 0.018 0.000 2.721 462 G HA2 -0.432 3.528 3.960 0.000 0.000 0.218 462 G HA3 -0.432 3.528 3.960 0.000 0.000 0.218 462 G C 1.644 176.537 174.900 -0.012 0.000 1.265 462 G CA 1.319 46.418 45.100 -0.002 0.000 0.796 462 G HN 0.592 nan 8.290 nan 0.000 0.620 463 S N 0.168 115.869 115.700 0.001 0.000 2.392 463 S HA -0.194 4.276 4.470 0.000 0.000 0.232 463 S C 2.273 176.876 174.600 0.005 0.000 1.041 463 S CA 1.902 60.105 58.200 0.005 0.000 1.026 463 S CB -0.760 62.444 63.200 0.007 0.000 0.845 463 S HN 0.185 nan 8.310 nan 0.000 0.465 464 V N 2.157 122.071 119.914 0.000 0.000 2.261 464 V HA -0.127 3.993 4.120 0.000 0.000 0.246 464 V C 2.503 178.604 176.094 0.011 0.000 1.047 464 V CA 2.007 64.310 62.300 0.005 0.000 1.015 464 V CB -0.722 31.104 31.823 0.005 0.000 0.642 464 V HN 0.485 nan 8.190 nan 0.000 0.446 465 I N -0.142 120.407 120.570 -0.036 0.000 2.179 465 I HA -0.217 3.954 4.170 0.000 0.000 0.242 465 I C 2.328 178.471 176.117 0.043 0.000 1.088 465 I CA 1.305 62.572 61.300 -0.055 0.000 1.357 465 I CB -0.375 37.360 38.000 -0.442 0.000 1.051 465 I HN 0.150 nan 8.210 nan 0.000 0.409 466 V N 0.286 120.205 119.914 0.009 0.000 2.568 466 V HA -0.300 3.820 4.120 0.000 0.000 0.253 466 V C 2.330 178.464 176.094 0.067 0.000 1.072 466 V CA 1.711 64.035 62.300 0.040 0.000 1.084 466 V CB -0.706 31.131 31.823 0.023 0.000 0.676 466 V HN 0.440 nan 8.190 nan 0.000 0.469 467 Q N 0.244 120.079 119.800 0.058 0.000 2.033 467 Q HA -0.117 4.223 4.340 0.000 0.000 0.196 467 Q C 2.290 178.333 176.000 0.072 0.000 0.970 467 Q CA 1.571 57.405 55.803 0.052 0.000 0.828 467 Q CB -0.363 28.392 28.738 0.028 0.000 0.895 467 Q HN 0.687 nan 8.270 nan 0.000 0.440 468 Q N -0.349 119.499 119.800 0.080 0.000 2.234 468 Q HA -0.136 4.204 4.340 0.000 0.000 0.206 468 Q C 1.965 178.081 176.000 0.193 0.000 0.980 468 Q CA 1.176 57.006 55.803 0.044 0.000 0.869 468 Q CB -0.065 28.608 28.738 -0.109 0.000 0.912 468 Q HN 0.438 nan 8.270 nan 0.000 0.436 469 I N 0.218 120.967 120.570 0.298 0.000 2.235 469 I HA -0.231 3.939 4.170 0.000 0.000 0.241 469 I C 1.952 178.222 176.117 0.255 0.000 1.085 469 I CA 0.884 62.399 61.300 0.357 0.000 1.378 469 I CB -0.119 38.027 38.000 0.243 0.000 1.076 469 I HN 0.166 nan 8.210 nan 0.000 0.415 470 L N 0.708 122.023 121.223 0.153 0.000 2.450 470 L HA -0.136 4.204 4.340 0.000 0.000 0.224 470 L C 2.639 179.556 176.870 0.078 0.000 1.149 470 L CA 0.604 55.505 54.840 0.102 0.000 0.816 470 L CB -0.613 41.487 42.059 0.068 0.000 0.932 470 L HN 0.239 nan 8.230 nan 0.000 0.449 471 A N -0.262 122.606 122.820 0.079 0.000 1.854 471 A HA -0.148 4.172 4.320 0.000 0.000 0.214 471 A C 1.255 178.840 177.584 0.001 0.000 1.192 471 A CA 0.539 52.592 52.037 0.027 0.000 0.611 471 A CB -0.256 18.747 19.000 0.004 0.000 0.832 471 A HN 0.289 nan 8.150 nan 0.000 0.442 472 E N 0.278 120.482 120.200 0.007 0.000 2.328 472 E HA 0.240 4.590 4.350 0.000 0.000 0.265 472 E C 0.382 176.975 176.600 -0.011 0.000 1.057 472 E CA 0.676 57.017 56.400 -0.098 0.000 0.916 472 E CB 0.532 30.038 29.700 -0.323 0.000 0.993 472 E HN 0.278 nan 8.360 nan 0.000 0.446 473 T N 4.095 118.629 114.554 -0.034 0.000 2.990 473 T HA 0.095 4.445 4.350 0.000 0.000 0.250 473 T C 1.199 175.894 174.700 -0.009 0.000 1.041 473 T CA -0.134 61.964 62.100 -0.004 0.000 1.010 473 T CB 0.170 69.034 68.868 -0.006 0.000 1.003 473 T HN 0.286 nan 8.240 nan 0.000 0.499 474 K N 1.861 122.239 120.400 -0.038 0.000 1.965 474 K HA -0.047 4.273 4.320 0.000 0.000 0.220 474 K C 0.952 177.550 176.600 -0.003 0.000 1.046 474 K CA 1.135 57.404 56.287 -0.030 0.000 0.974 474 K CB -0.171 32.294 32.500 -0.058 0.000 0.738 474 K HN 0.105 nan 8.250 nan 0.000 0.444 475 N N 1.078 119.780 118.700 0.003 0.000 2.462 475 N HA 0.067 4.807 4.740 0.000 0.000 0.242 475 N C -2.068 173.503 175.510 0.102 0.000 1.010 475 N CA -1.973 51.108 53.050 0.051 0.000 0.939 475 N CB 1.333 39.860 38.487 0.067 0.000 1.127 475 N HN -0.042 nan 8.380 nan 0.000 0.509 476 P HA -0.127 nan 4.420 nan 0.000 0.225 476 P C 0.302 177.669 177.300 0.111 0.000 1.148 476 P CA 0.958 64.114 63.100 0.092 0.000 0.779 476 P CB 0.336 32.071 31.700 0.059 0.000 0.780 477 R N -1.816 118.750 120.500 0.111 0.000 2.313 477 R HA 0.023 4.364 4.340 0.000 0.000 0.199 477 R C 0.657 177.044 176.300 0.144 0.000 0.958 477 R CA -0.255 55.904 56.100 0.098 0.000 1.047 477 R CB -0.599 29.745 30.300 0.074 0.000 0.955 477 R HN 0.216 nan 8.270 nan 0.000 0.481 478 Y N 0.981 121.318 120.300 0.062 0.000 2.442 478 Y HA 0.313 4.863 4.550 0.000 0.000 0.330 478 Y C 0.535 176.512 175.900 0.128 0.000 1.129 478 Y CA 0.299 58.459 58.100 0.099 0.000 1.365 478 Y CB 0.713 39.236 38.460 0.104 0.000 1.233 478 Y HN 0.065 nan 8.280 nan 0.000 0.529 479 G N 4.707 113.278 108.800 -0.381 0.000 2.606 479 G HA2 0.338 4.298 3.960 0.000 0.000 0.300 479 G HA3 0.338 4.298 3.960 0.000 0.000 0.300 479 G C -2.289 172.379 174.900 -0.387 0.000 1.360 479 G CA -1.024 43.916 45.100 -0.267 0.000 0.783 479 G HN 0.610 nan 8.290 nan 0.000 0.484 480 F N 1.145 120.758 119.950 -0.562 0.000 2.415 480 F HA 0.578 5.105 4.527 0.000 0.000 0.348 480 F C 0.017 175.502 175.800 -0.525 0.000 1.119 480 F CA -1.016 56.466 58.000 -0.863 0.000 1.069 480 F CB 1.763 40.148 39.000 -1.026 0.000 1.124 480 F HN 0.374 nan 8.300 nan 0.000 0.472 481 N N 5.083 123.101 118.700 -1.138 0.000 2.645 481 N HA 0.259 4.999 4.740 0.000 0.000 0.233 481 N C 0.587 175.371 175.510 -1.211 0.000 1.058 481 N CA 0.201 52.742 53.050 -0.850 0.000 0.942 481 N CB 1.221 39.401 38.487 -0.512 0.000 1.210 481 N HN 0.739 nan 8.380 nan 0.000 0.512 482 A N 3.106 125.302 122.820 -1.039 0.000 2.139 482 A HA -0.124 4.196 4.320 0.000 0.000 0.221 482 A C 2.062 179.357 177.584 -0.483 0.000 1.159 482 A CA 1.836 53.395 52.037 -0.797 0.000 0.662 482 A CB -0.695 18.120 19.000 -0.308 0.000 0.796 482 A HN 0.715 nan 8.150 nan 0.000 0.463 483 A N -0.463 122.126 122.820 -0.386 0.000 1.840 483 A HA -0.040 4.280 4.320 0.000 0.000 0.214 483 A C 2.379 179.854 177.584 -0.181 0.000 1.198 483 A CA 2.270 54.178 52.037 -0.215 0.000 0.608 483 A CB -1.111 17.785 19.000 -0.172 0.000 0.839 483 A HN 0.820 nan 8.150 nan 0.000 0.443 484 T N -4.174 110.236 114.554 -0.240 0.000 3.081 484 T HA 0.396 4.746 4.350 0.000 0.000 0.250 484 T C 1.231 175.852 174.700 -0.132 0.000 1.100 484 T CA 1.065 63.077 62.100 -0.146 0.000 1.038 484 T CB -0.077 68.714 68.868 -0.127 0.000 0.962 484 T HN 1.816 nan 8.240 nan 0.000 0.516 485 G N 1.207 109.798 108.800 -0.347 0.000 2.272 485 G HA2 -0.176 3.784 3.960 0.000 0.000 0.280 485 G HA3 -0.176 3.784 3.960 0.000 0.000 0.280 485 G C -0.426 174.468 174.900 -0.010 0.000 1.067 485 G CA 0.107 45.082 45.100 -0.209 0.000 0.902 485 G HN 0.690 nan 8.290 nan 0.000 0.500 486 E N -1.516 118.494 120.200 -0.317 0.000 2.408 486 E HA 0.616 4.966 4.350 0.000 0.000 0.275 486 E C -0.896 175.617 176.600 -0.146 0.000 0.935 486 E CA -1.054 55.348 56.400 0.005 0.000 0.775 486 E CB 1.356 31.074 29.700 0.031 0.000 1.277 486 E HN 0.048 nan 8.360 nan 0.000 0.455 487 F N 1.284 121.272 119.950 0.063 0.000 2.394 487 F HA 0.434 4.961 4.527 0.000 0.000 0.340 487 F C 0.547 176.297 175.800 -0.083 0.000 1.105 487 F CA -0.351 57.601 58.000 -0.079 0.000 1.124 487 F CB 1.251 40.208 39.000 -0.073 0.000 1.145 487 F HN 0.232 nan 8.300 nan 0.000 0.505 488 V N -1.283 118.598 119.914 -0.056 0.000 3.121 488 V HA 0.461 4.581 4.120 0.000 0.000 0.308 488 V C -1.394 174.721 176.094 0.034 0.000 1.492 488 V CA -1.113 61.211 62.300 0.041 0.000 1.034 488 V CB 1.683 33.496 31.823 -0.018 0.000 1.066 488 V HN 0.554 nan 8.190 nan 0.000 0.472 489 D N 1.361 121.805 120.400 0.075 0.000 2.393 489 D HA 0.232 4.872 4.640 0.000 0.000 0.232 489 D C 1.310 177.616 176.300 0.010 0.000 1.192 489 D CA -0.360 53.684 54.000 0.075 0.000 0.882 489 D CB 1.248 42.095 40.800 0.078 0.000 1.038 489 D HN 0.543 nan 8.370 nan 0.000 0.499 490 M N 2.841 122.432 119.600 -0.015 0.000 2.116 490 M HA -0.211 4.269 4.480 0.000 0.000 0.255 490 M C 1.895 178.180 176.300 -0.025 0.000 1.075 490 M CA 1.158 56.432 55.300 -0.043 0.000 1.087 490 M CB -0.827 31.748 32.600 -0.042 0.000 1.340 490 M HN 0.307 nan 8.290 nan 0.000 0.402 491 V N 0.195 120.107 119.914 -0.003 0.000 2.221 491 V HA -0.243 3.877 4.120 0.000 0.000 0.242 491 V C 2.098 178.191 176.094 -0.002 0.000 1.041 491 V CA 1.872 64.172 62.300 -0.000 0.000 0.995 491 V CB -0.817 31.013 31.823 0.011 0.000 0.635 491 V HN 0.467 nan 8.190 nan 0.000 0.448 492 E N 0.128 120.333 120.200 0.007 0.000 2.448 492 E HA -0.163 4.187 4.350 0.000 0.000 0.203 492 E C 1.780 178.378 176.600 -0.004 0.000 1.046 492 E CA 0.944 57.348 56.400 0.007 0.000 0.871 492 E CB -0.208 29.503 29.700 0.018 0.000 0.790 492 E HN 0.603 nan 8.360 nan 0.000 0.545 493 A N -0.020 122.790 122.820 -0.016 0.000 2.308 493 A HA 0.343 4.663 4.320 0.000 0.000 0.217 493 A C 1.544 179.105 177.584 -0.038 0.000 1.216 493 A CA 0.515 52.533 52.037 -0.033 0.000 0.864 493 A CB 0.124 19.090 19.000 -0.057 0.000 0.902 493 A HN 0.254 nan 8.150 nan 0.000 0.499 494 G N -0.205 108.578 108.800 -0.028 0.000 2.198 494 G HA2 -0.212 3.748 3.960 0.000 0.000 0.257 494 G HA3 -0.212 3.748 3.960 0.000 0.000 0.257 494 G C 0.017 174.895 174.900 -0.036 0.000 1.042 494 G CA 0.401 45.485 45.100 -0.027 0.000 0.791 494 G HN 0.576 nan 8.290 nan 0.000 0.502 495 I N 0.675 121.219 120.570 -0.044 0.000 2.620 495 I HA 0.371 4.541 4.170 0.000 0.000 0.280 495 I C 0.323 176.416 176.117 -0.041 0.000 1.143 495 I CA -0.754 60.513 61.300 -0.054 0.000 1.163 495 I CB 0.822 38.771 38.000 -0.085 0.000 1.461 495 I HN -0.052 nan 8.210 nan 0.000 0.530 496 V N 2.446 122.343 119.914 -0.030 0.000 3.166 496 V HA 0.604 4.724 4.120 0.000 0.000 0.317 496 V C -0.633 175.450 176.094 -0.019 0.000 1.136 496 V CA -0.710 61.577 62.300 -0.021 0.000 1.035 496 V CB 2.694 34.508 31.823 -0.014 0.000 1.110 496 V HN 0.368 nan 8.190 nan 0.000 0.450 497 D N 0.109 120.501 120.400 -0.014 0.000 2.947 497 D HA 0.371 5.011 4.640 0.000 0.000 0.224 497 D C -3.013 173.281 176.300 -0.009 0.000 1.230 497 D CA -1.279 52.713 54.000 -0.013 0.000 0.871 497 D CB 2.587 43.380 40.800 -0.013 0.000 1.671 497 D HN 0.212 nan 8.370 nan 0.000 0.507 498 P HA 0.072 nan 4.420 nan 0.000 0.261 498 P C 0.534 177.831 177.300 -0.005 0.000 1.203 498 P CA 0.059 63.154 63.100 -0.007 0.000 0.767 498 P CB 0.565 32.260 31.700 -0.009 0.000 0.785 499 A N 5.186 128.004 122.820 -0.003 0.000 2.042 499 A HA -0.272 4.049 4.320 0.000 0.000 0.222 499 A C 2.096 179.680 177.584 -0.000 0.000 1.167 499 A CA 1.686 53.723 52.037 -0.000 0.000 0.649 499 A CB -0.919 18.082 19.000 0.002 0.000 0.809 499 A HN 0.507 nan 8.150 nan 0.000 0.457 500 K N -0.292 120.106 120.400 -0.002 0.000 2.097 500 K HA -0.083 4.237 4.320 0.000 0.000 0.205 500 K C 1.798 178.397 176.600 -0.002 0.000 1.050 500 K CA 1.500 57.786 56.287 -0.001 0.000 0.938 500 K CB -0.266 32.232 32.500 -0.003 0.000 0.718 500 K HN 0.273 nan 8.250 nan 0.000 0.442 501 V N 1.063 120.975 119.914 -0.004 0.000 2.233 501 V HA -0.280 3.840 4.120 0.000 0.000 0.247 501 V C 2.240 178.332 176.094 -0.003 0.000 1.050 501 V CA 2.402 64.699 62.300 -0.005 0.000 1.010 501 V CB -0.870 30.949 31.823 -0.007 0.000 0.637 501 V HN 0.462 nan 8.190 nan 0.000 0.444 502 T N -0.050 114.503 114.554 -0.002 0.000 2.580 502 T HA -0.309 4.041 4.350 0.000 0.000 0.265 502 T C 2.026 176.727 174.700 0.001 0.000 1.063 502 T CA 2.197 64.297 62.100 -0.000 0.000 1.170 502 T CB -0.412 68.456 68.868 0.001 0.000 0.863 502 T HN 0.431 nan 8.240 nan 0.000 0.418 503 R N 0.704 121.205 120.500 0.002 0.000 2.133 503 R HA -0.154 4.186 4.340 0.000 0.000 0.247 503 R C 2.451 178.753 176.300 0.002 0.000 1.151 503 R CA 1.941 58.043 56.100 0.003 0.000 0.971 503 R CB -0.344 29.957 30.300 0.003 0.000 0.866 503 R HN 0.296 nan 8.270 nan 0.000 0.447 504 S N 0.356 116.057 115.700 0.001 0.000 2.329 504 S HA -0.056 4.414 4.470 0.000 0.000 0.215 504 S C 2.064 176.664 174.600 0.001 0.000 1.031 504 S CA 0.937 59.138 58.200 0.001 0.000 0.985 504 S CB -0.426 62.773 63.200 -0.000 0.000 0.917 504 S HN 0.577 nan 8.310 nan 0.000 0.441 505 A N 1.655 124.476 122.820 0.001 0.000 1.915 505 A HA -0.203 4.117 4.320 0.000 0.000 0.220 505 A C 2.162 179.748 177.584 0.002 0.000 1.198 505 A CA 1.985 54.023 52.037 0.001 0.000 0.647 505 A CB -1.021 17.979 19.000 0.001 0.000 0.825 505 A HN 0.399 nan 8.150 nan 0.000 0.456 506 L N -0.586 120.638 121.223 0.003 0.000 1.961 506 L HA -0.216 4.124 4.340 0.000 0.000 0.210 506 L C 2.601 179.473 176.870 0.004 0.000 1.072 506 L CA 2.629 57.471 54.840 0.004 0.000 0.749 506 L CB -0.891 41.171 42.059 0.005 0.000 0.889 506 L HN 0.533 nan 8.230 nan 0.000 0.432 507 Q N -0.599 119.203 119.800 0.003 0.000 2.152 507 Q HA -0.231 4.109 4.340 0.000 0.000 0.206 507 Q C 2.021 178.022 176.000 0.003 0.000 0.985 507 Q CA 1.839 57.644 55.803 0.003 0.000 0.863 507 Q CB -0.249 28.491 28.738 0.003 0.000 0.904 507 Q HN 0.580 nan 8.270 nan 0.000 0.422 508 N N 0.061 118.762 118.700 0.002 0.000 2.080 508 N HA -0.110 4.630 4.740 0.000 0.000 0.189 508 N C 1.698 177.210 175.510 0.002 0.000 1.036 508 N CA 1.330 54.382 53.050 0.002 0.000 0.846 508 N CB -0.404 38.084 38.487 0.002 0.000 1.015 508 N HN 0.235 nan 8.380 nan 0.000 0.423 509 A N 1.380 124.202 122.820 0.003 0.000 1.873 509 A HA -0.096 4.224 4.320 0.000 0.000 0.218 509 A C 2.373 179.960 177.584 0.004 0.000 1.193 509 A CA 2.390 54.429 52.037 0.003 0.000 0.629 509 A CB -1.088 17.914 19.000 0.004 0.000 0.826 509 A HN 0.342 nan 8.150 nan 0.000 0.447 510 A N -1.097 121.725 122.820 0.004 0.000 1.978 510 A HA -0.128 4.193 4.320 0.000 0.000 0.220 510 A C 2.441 180.027 177.584 0.003 0.000 1.170 510 A CA 2.273 54.313 52.037 0.004 0.000 0.636 510 A CB -0.849 18.153 19.000 0.004 0.000 0.810 510 A HN 0.555 nan 8.150 nan 0.000 0.448 511 S N -0.596 115.106 115.700 0.003 0.000 2.355 511 S HA -0.072 4.398 4.470 0.000 0.000 0.222 511 S C 1.895 176.497 174.600 0.002 0.000 1.031 511 S CA 1.198 59.399 58.200 0.002 0.000 0.993 511 S CB -0.442 62.759 63.200 0.001 0.000 0.859 511 S HN 0.517 nan 8.310 nan 0.000 0.453 512 I N 1.292 121.863 120.570 0.002 0.000 2.163 512 I HA -0.141 4.029 4.170 0.000 0.000 0.243 512 I C 2.651 178.770 176.117 0.003 0.000 1.085 512 I CA 1.185 62.486 61.300 0.002 0.000 1.347 512 I CB -1.028 36.974 38.000 0.003 0.000 1.044 512 I HN 0.441 nan 8.210 nan 0.000 0.408 513 G N 0.715 109.517 108.800 0.004 0.000 2.514 513 G HA2 -0.329 3.631 3.960 0.000 0.000 0.217 513 G HA3 -0.329 3.631 3.960 0.000 0.000 0.217 513 G C 1.852 176.755 174.900 0.005 0.000 1.198 513 G CA 1.062 46.165 45.100 0.004 0.000 0.780 513 G HN 0.508 nan 8.290 nan 0.000 0.565 514 A N 0.174 122.996 122.820 0.004 0.000 1.948 514 A HA -0.012 4.308 4.320 0.000 0.000 0.220 514 A C 2.388 179.974 177.584 0.004 0.000 1.177 514 A CA 1.911 53.951 52.037 0.004 0.000 0.636 514 A CB -0.443 18.559 19.000 0.004 0.000 0.815 514 A HN 0.503 nan 8.150 nan 0.000 0.449 515 L N 0.006 121.231 121.223 0.003 0.000 1.976 515 L HA -0.137 4.203 4.340 0.000 0.000 0.209 515 L C 2.297 179.169 176.870 0.003 0.000 1.071 515 L CA 2.002 56.843 54.840 0.002 0.000 0.746 515 L CB -0.469 41.590 42.059 0.001 0.000 0.890 515 L HN 0.444 nan 8.230 nan 0.000 0.432 516 I N -0.820 119.752 120.570 0.003 0.000 2.208 516 I HA -0.343 3.827 4.170 0.000 0.000 0.245 516 I C 2.397 178.518 176.117 0.007 0.000 1.097 516 I CA 1.469 62.771 61.300 0.004 0.000 1.363 516 I CB -0.397 37.605 38.000 0.004 0.000 1.051 516 I HN 0.301 nan 8.210 nan 0.000 0.413 517 L N -0.055 121.172 121.223 0.008 0.000 2.127 517 L HA -0.186 4.155 4.340 0.000 0.000 0.211 517 L C 2.208 179.085 176.870 0.012 0.000 1.089 517 L CA 1.428 56.274 54.840 0.010 0.000 0.757 517 L CB -1.026 41.038 42.059 0.009 0.000 0.899 517 L HN 0.253 nan 8.230 nan 0.000 0.434 518 T N -1.552 113.008 114.554 0.009 0.000 3.148 518 T HA -0.001 4.349 4.350 0.000 0.000 0.253 518 T C 0.801 175.507 174.700 0.012 0.000 1.134 518 T CA 0.265 62.372 62.100 0.011 0.000 1.051 518 T CB -0.202 68.671 68.868 0.008 0.000 0.959 518 T HN 0.209 nan 8.240 nan 0.000 0.525 519 T N 2.914 117.474 114.554 0.010 0.000 2.761 519 T HA 0.165 4.515 4.350 0.000 0.000 0.296 519 T C 0.743 175.453 174.700 0.017 0.000 0.934 519 T CA -0.295 61.809 62.100 0.006 0.000 1.091 519 T CB 1.018 69.884 68.868 -0.003 0.000 0.896 519 T HN 0.058 nan 8.240 nan 0.000 0.515 520 E N 0.992 121.206 120.200 0.023 0.000 2.511 520 E HA 0.425 4.775 4.350 0.000 0.000 0.209 520 E C 0.299 176.936 176.600 0.061 0.000 0.986 520 E CA -0.002 56.435 56.400 0.062 0.000 0.974 520 E CB 0.935 30.685 29.700 0.082 0.000 1.030 520 E HN 0.753 nan 8.360 nan 0.000 0.490 521 A N 0.223 123.016 122.820 -0.046 0.000 2.590 521 A HA 0.545 4.865 4.320 0.000 0.000 0.294 521 A C -1.394 176.064 177.584 -0.210 0.000 1.046 521 A CA -0.397 51.501 52.037 -0.231 0.000 0.684 521 A CB 1.227 20.017 19.000 -0.351 0.000 1.279 521 A HN 0.124 nan 8.150 nan 0.000 0.415 522 V N -0.785 118.961 119.914 -0.281 0.000 2.733 522 V HA 0.825 4.946 4.120 0.000 0.000 0.306 522 V C -1.224 174.746 176.094 -0.205 0.000 1.084 522 V CA -0.655 61.537 62.300 -0.180 0.000 0.905 522 V CB 1.535 33.293 31.823 -0.108 0.000 1.010 522 V HN 1.211 nan 8.190 nan 0.000 0.424 523 V N 5.272 125.098 119.914 -0.148 0.000 2.293 523 V HA 0.852 4.972 4.120 0.000 0.000 0.275 523 V C 0.810 176.847 176.094 -0.094 0.000 1.021 523 V CA 0.363 62.587 62.300 -0.128 0.000 0.815 523 V CB 0.565 32.326 31.823 -0.104 0.000 1.025 523 V HN 1.362 nan 8.190 nan 0.000 0.448 524 A N 4.070 126.831 122.820 -0.098 0.000 2.269 524 A HA 0.799 5.119 4.320 0.000 0.000 0.327 524 A C 0.008 177.494 177.584 -0.163 0.000 1.112 524 A CA -0.685 51.288 52.037 -0.107 0.000 0.865 524 A CB 0.751 19.704 19.000 -0.078 0.000 1.227 524 A HN 0.625 nan 8.150 nan 0.000 0.498 525 E N 0.683 120.722 120.200 -0.270 0.000 2.283 525 E HA 0.230 4.580 4.350 0.000 0.000 0.278 525 E C -0.628 175.706 176.600 -0.444 0.000 1.027 525 E CA -0.464 55.748 56.400 -0.313 0.000 0.843 525 E CB 1.415 30.933 29.700 -0.303 0.000 1.062 525 E HN 0.450 nan 8.360 nan 0.000 0.401 526 K N 3.231 123.490 120.400 -0.234 0.000 2.237 526 K HA 0.235 4.555 4.320 0.000 0.000 0.270 526 K C -2.260 174.267 176.600 -0.122 0.000 1.015 526 K CA -1.264 54.932 56.287 -0.152 0.000 0.949 526 K CB -0.006 32.453 32.500 -0.068 0.000 0.976 526 K HN 0.163 nan 8.250 nan 0.000 0.472 527 P HA 0.000 nan 4.420 nan 0.000 0.216 527 P CA 0.000 63.159 63.100 0.098 0.000 0.800 527 P CB 0.000 31.778 31.700 0.129 0.000 0.726