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 1qvb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKFPKDFMIG YSSSPFQFEA GIPGSEDPNS DWWVWVHDPE NTAAGLVSGD DATA SEQUENCE FPENGPGYWN LNQNDHDLAE KLGVNTIRVG VEWSRIFPKP TFNVKVPVER DATA SEQUENCE DENGSIVHVD VDDKAVERLD ELANKEAVNH YVEMYKDWVE RGRKLILNLY DATA SEQUENCE HWPLPLWLHN PIMVRRMGPD RAPSGWLNEE SVVEFAKYAA YIAWKMGELP DATA SEQUENCE VMWSTMNEPN VVYEQGYMFV KGGFPPGYLS LEAADKARRN MIQAHARAYD DATA SEQUENCE NIKRFSKKPV GLIYAFQWFE LLEGPAEVFD KFKSSKLYYF TDIVSKGSSI DATA SEQUENCE INVEYRRDLA NRLDWLGVNY YSRLVYKIVD DKPIILHGYG FLCTPGGISP DATA SEQUENCE AENPCSDFGW EVYPEGLYLL LKELYNRYGV DLIVTENGVS DSRDALRPAY DATA SEQUENCE LVSHVYSVWK AANEGIPVKG YLHWSLTDNY EWAQGFRQKF GLVMVDFKTK DATA SEQUENCE KRYLRPSALV FREIATHNGI PDELQHLTLI Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.749 176.300 -0.918 0.000 1.140 1 M CA 0.000 54.342 55.300 -1.596 0.000 0.988 1 M CB 0.000 32.031 32.600 -0.948 0.000 1.302 2 K N -0.181 119.994 120.400 -0.375 0.000 2.385 2 K HA 0.737 5.062 4.320 0.007 0.000 0.248 2 K C -1.050 175.561 176.600 0.019 0.000 0.955 2 K CA -0.694 55.542 56.287 -0.084 0.000 0.816 2 K CB 2.122 34.651 32.500 0.048 0.000 1.250 2 K HN -0.003 nan 8.250 nan 0.000 0.434 3 F N 1.343 121.330 119.950 0.061 0.000 2.380 3 F HA 0.349 4.877 4.527 0.003 0.000 0.319 3 F C -1.677 174.111 175.800 -0.020 0.000 1.113 3 F CA -2.015 55.895 58.000 -0.149 0.000 1.056 3 F CB 0.012 38.574 39.000 -0.731 0.000 1.289 3 F HN 0.286 nan 8.300 nan 0.000 0.515 4 P HA 0.063 nan 4.420 nan 0.000 0.270 4 P C 0.177 177.600 177.300 0.205 0.000 1.227 4 P CA -0.046 63.161 63.100 0.179 0.000 0.788 4 P CB 0.608 32.413 31.700 0.175 0.000 0.926 5 K N 0.585 121.067 120.400 0.136 0.000 2.015 5 K HA -0.183 4.142 4.320 0.007 0.000 0.220 5 K C 0.762 177.441 176.600 0.133 0.000 1.055 5 K CA 1.884 58.239 56.287 0.112 0.000 0.951 5 K CB -0.467 32.075 32.500 0.070 0.000 0.725 5 K HN 0.517 nan 8.250 nan 0.000 0.449 6 D N 0.142 120.616 120.400 0.122 0.000 2.352 6 D HA 0.001 4.646 4.640 0.007 0.000 0.236 6 D C -0.332 176.042 176.300 0.123 0.000 1.148 6 D CA -0.028 54.028 54.000 0.094 0.000 0.844 6 D CB -0.482 40.344 40.800 0.043 0.000 0.933 6 D HN 0.061 nan 8.370 nan 0.000 0.507 7 F N 1.586 121.558 119.950 0.036 0.000 2.543 7 F HA 0.068 4.597 4.527 0.003 0.000 0.375 7 F C 0.609 176.395 175.800 -0.024 0.000 1.075 7 F CA -0.367 57.634 58.000 0.001 0.000 1.225 7 F CB 0.394 39.414 39.000 0.033 0.000 1.099 7 F HN -0.229 nan 8.300 nan 0.000 0.561 8 M N 7.785 127.025 119.600 -0.600 0.000 2.162 8 M HA 0.334 4.818 4.480 0.007 0.000 0.356 8 M C -0.786 175.244 176.300 -0.450 0.000 1.303 8 M CA 0.350 55.401 55.300 -0.415 0.000 1.116 8 M CB 0.652 33.035 32.600 -0.360 0.000 1.632 8 M HN 0.428 nan 8.290 nan 0.000 0.469 9 I N 2.202 122.725 120.570 -0.078 0.000 2.533 9 I HA 0.798 4.973 4.170 0.007 0.000 0.290 9 I C 0.282 176.557 176.117 0.262 0.000 1.056 9 I CA -0.401 60.971 61.300 0.120 0.000 1.057 9 I CB 2.112 40.210 38.000 0.164 0.000 1.240 9 I HN 0.908 nan 8.210 nan 0.000 0.423 10 G N 4.705 113.751 108.800 0.410 0.000 2.539 10 G HA2 0.386 4.350 3.960 0.007 0.000 0.138 10 G HA3 0.386 4.350 3.960 0.007 0.000 0.138 10 G C -1.932 173.186 174.900 0.362 0.000 1.148 10 G CA -0.226 45.119 45.100 0.409 0.000 1.057 10 G HN 0.610 nan 8.290 nan 0.000 0.511 11 Y N -1.276 119.016 120.300 -0.013 0.000 2.689 11 Y HA 0.861 5.415 4.550 0.008 0.000 0.333 11 Y C -0.543 175.253 175.900 -0.174 0.000 1.208 11 Y CA -1.021 57.026 58.100 -0.088 0.000 1.055 11 Y CB 1.119 39.471 38.460 -0.180 0.000 1.304 11 Y HN 0.633 nan 8.280 nan 0.000 0.455 12 S N 0.807 116.487 115.700 -0.033 0.000 2.638 12 S HA 0.884 5.358 4.470 0.007 0.000 0.302 12 S C -1.031 173.409 174.600 -0.267 0.000 1.096 12 S CA -0.292 57.847 58.200 -0.102 0.000 0.953 12 S CB 1.634 64.972 63.200 0.229 0.000 1.107 12 S HN 1.094 nan 8.310 nan 0.000 0.503 13 S N 0.175 115.685 115.700 -0.317 0.000 2.656 13 S HA 0.851 5.326 4.470 0.007 0.000 0.273 13 S C -1.027 173.434 174.600 -0.232 0.000 1.168 13 S CA -0.744 56.999 58.200 -0.762 0.000 0.817 13 S CB 1.341 63.689 63.200 -1.420 0.000 1.146 13 S HN 0.973 nan 8.310 nan 0.000 0.475 14 S N -0.468 115.106 115.700 -0.209 0.000 2.599 14 S HA 0.745 5.219 4.470 0.007 0.000 0.287 14 S C -2.673 171.977 174.600 0.084 0.000 1.105 14 S CA -1.493 56.638 58.200 -0.114 0.000 0.899 14 S CB 1.319 64.143 63.200 -0.627 0.000 1.100 14 S HN 0.413 nan 8.310 nan 0.000 0.482 15 P HA -0.012 nan 4.420 nan 0.000 0.212 15 P C 1.226 178.714 177.300 0.312 0.000 1.180 15 P CA 0.759 64.077 63.100 0.363 0.000 0.906 15 P CB -0.127 31.853 31.700 0.467 0.000 0.782 16 F N 0.633 120.638 119.950 0.092 0.000 2.120 16 F HA -0.243 4.288 4.527 0.007 0.000 0.300 16 F C 1.972 177.675 175.800 -0.162 0.000 1.095 16 F CA 1.785 59.760 58.000 -0.042 0.000 1.249 16 F CB -0.785 38.127 39.000 -0.147 0.000 0.995 16 F HN -0.043 nan 8.300 nan 0.000 0.480 17 Q N -1.884 117.826 119.800 -0.151 0.000 2.435 17 Q HA -0.045 4.299 4.340 0.007 0.000 0.207 17 Q C 1.071 176.955 176.000 -0.193 0.000 0.956 17 Q CA 0.916 56.544 55.803 -0.292 0.000 0.917 17 Q CB -0.027 28.525 28.738 -0.310 0.000 0.997 17 Q HN 0.454 nan 8.270 nan 0.000 0.497 18 F N -0.723 119.197 119.950 -0.051 0.000 2.729 18 F HA 0.187 4.719 4.527 0.008 0.000 0.304 18 F C 1.714 177.617 175.800 0.172 0.000 1.008 18 F CA -0.297 57.741 58.000 0.064 0.000 1.188 18 F CB 0.184 39.181 39.000 -0.006 0.000 0.980 18 F HN -0.084 nan 8.300 nan 0.000 0.627 19 E N 1.619 122.058 120.200 0.399 0.000 2.023 19 E HA -0.090 4.264 4.350 0.007 0.000 0.196 19 E C 1.307 178.050 176.600 0.237 0.000 1.003 19 E CA 1.098 57.746 56.400 0.414 0.000 0.809 19 E CB -0.369 29.555 29.700 0.374 0.000 0.755 19 E HN 0.257 nan 8.360 nan 0.000 0.449 20 A N -0.330 122.522 122.820 0.054 0.000 2.386 20 A HA 0.416 4.741 4.320 0.007 0.000 0.246 20 A C 1.085 178.716 177.584 0.079 0.000 1.089 20 A CA 0.620 52.661 52.037 0.007 0.000 0.790 20 A CB 0.365 19.340 19.000 -0.042 0.000 1.042 20 A HN 0.380 nan 8.150 nan 0.000 0.497 21 G N -1.166 107.681 108.800 0.078 0.000 3.505 21 G HA2 0.027 3.992 3.960 0.007 0.000 0.210 21 G HA3 0.027 3.992 3.960 0.007 0.000 0.210 21 G C -0.155 174.795 174.900 0.084 0.000 1.047 21 G CA 0.019 45.181 45.100 0.104 0.000 0.884 21 G HN 0.582 nan 8.290 nan 0.000 0.434 22 I N 2.603 123.219 120.570 0.077 0.000 2.354 22 I HA 0.396 4.571 4.170 0.007 0.000 0.292 22 I C -2.316 173.827 176.117 0.043 0.000 0.989 22 I CA -2.839 58.497 61.300 0.060 0.000 1.188 22 I CB 0.982 39.022 38.000 0.067 0.000 1.342 22 I HN -0.128 nan 8.210 nan 0.000 0.457 23 P HA 0.080 nan 4.420 nan 0.000 0.261 23 P C 0.847 178.148 177.300 0.001 0.000 1.165 23 P CA 1.023 64.137 63.100 0.024 0.000 0.759 23 P CB 0.432 32.149 31.700 0.028 0.000 0.772 24 G N 2.213 110.994 108.800 -0.031 0.000 2.176 24 G HA2 -0.258 3.706 3.960 0.007 0.000 0.232 24 G HA3 -0.258 3.706 3.960 0.007 0.000 0.232 24 G C 0.793 175.614 174.900 -0.132 0.000 0.986 24 G CA 0.340 45.403 45.100 -0.062 0.000 0.643 24 G HN 0.639 nan 8.290 nan 0.000 0.522 25 S N -0.229 115.369 115.700 -0.170 0.000 2.539 25 S HA 0.473 4.948 4.470 0.007 0.000 0.221 25 S C 0.458 174.767 174.600 -0.486 0.000 0.987 25 S CA 0.491 58.447 58.200 -0.406 0.000 0.929 25 S CB 0.700 63.724 63.200 -0.293 0.000 0.832 25 S HN 0.440 nan 8.310 nan 0.000 0.492 26 E N 2.350 122.357 120.200 -0.320 0.000 2.422 26 E HA 0.362 4.716 4.350 0.007 0.000 0.260 26 E C -0.470 175.815 176.600 -0.526 0.000 1.108 26 E CA 0.075 56.260 56.400 -0.357 0.000 0.943 26 E CB 0.268 29.732 29.700 -0.393 0.000 0.961 26 E HN 0.234 nan 8.360 nan 0.000 0.443 27 D N 1.723 121.802 120.400 -0.535 0.000 2.434 27 D HA 0.177 4.821 4.640 0.007 0.000 0.275 27 D C -2.075 173.789 176.300 -0.726 0.000 1.172 27 D CA -2.250 51.477 54.000 -0.455 0.000 0.916 27 D CB 0.856 41.556 40.800 -0.167 0.000 1.041 27 D HN 0.128 nan 8.370 nan 0.000 0.501 28 P HA 0.026 nan 4.420 nan 0.000 0.245 28 P C -0.228 176.688 177.300 -0.640 0.000 1.212 28 P CA 0.217 62.276 63.100 -1.735 0.000 0.774 28 P CB 0.018 30.942 31.700 -1.293 0.000 0.999 29 N N 0.018 118.522 118.700 -0.327 0.000 2.279 29 N HA 0.057 4.802 4.740 0.007 0.000 0.226 29 N C 0.176 175.659 175.510 -0.046 0.000 1.126 29 N CA -0.311 52.665 53.050 -0.123 0.000 0.846 29 N CB 0.260 38.700 38.487 -0.078 0.000 1.050 29 N HN 0.168 nan 8.380 nan 0.000 0.502 30 S N -0.493 115.241 115.700 0.058 0.000 2.648 30 S HA 0.218 4.692 4.470 0.007 0.000 0.305 30 S C 0.727 175.414 174.600 0.145 0.000 1.094 30 S CA -0.849 57.408 58.200 0.094 0.000 0.983 30 S CB 1.669 64.994 63.200 0.209 0.000 1.101 30 S HN 0.110 nan 8.310 nan 0.000 0.514 31 D N 0.587 121.019 120.400 0.052 0.000 2.117 31 D HA -0.161 4.483 4.640 0.007 0.000 0.197 31 D C 1.236 177.572 176.300 0.061 0.000 0.987 31 D CA 1.083 55.064 54.000 -0.032 0.000 0.829 31 D CB -0.654 40.016 40.800 -0.216 0.000 0.961 31 D HN 0.708 nan 8.370 nan 0.000 0.460 32 W N 0.642 121.947 121.300 0.008 0.000 2.363 32 W HA -0.039 4.625 4.660 0.008 0.000 0.296 32 W C 2.386 179.057 176.519 0.253 0.000 1.212 32 W CA 0.816 58.154 57.345 -0.011 0.000 1.260 32 W CB -0.365 28.797 29.460 -0.496 0.000 1.131 32 W HN 0.070 nan 8.180 nan 0.000 0.530 33 W N 0.350 121.899 121.300 0.415 0.000 2.354 33 W HA -0.223 4.441 4.660 0.007 0.000 0.315 33 W C 1.664 178.395 176.519 0.353 0.000 1.206 33 W CA 2.178 59.796 57.345 0.455 0.000 1.290 33 W CB -0.892 28.730 29.460 0.270 0.000 1.152 33 W HN -0.287 nan 8.180 nan 0.000 0.489 34 V N 0.948 121.105 119.914 0.405 0.000 2.343 34 V HA -0.344 3.781 4.120 0.007 0.000 0.247 34 V C 2.302 178.486 176.094 0.150 0.000 1.051 34 V CA 2.217 64.649 62.300 0.219 0.000 1.036 34 V CB -1.404 30.538 31.823 0.199 0.000 0.654 34 V HN 0.425 nan 8.190 nan 0.000 0.451 35 W N 1.152 122.431 121.300 -0.035 0.000 2.318 35 W HA -0.225 4.439 4.660 0.008 0.000 0.313 35 W C 2.270 178.760 176.519 -0.048 0.000 1.221 35 W CA 2.949 60.220 57.345 -0.124 0.000 1.266 35 W CB -0.161 29.088 29.460 -0.351 0.000 1.150 35 W HN 0.378 nan 8.180 nan 0.000 0.496 36 V N -2.053 117.974 119.914 0.188 0.000 3.217 36 V HA -0.114 4.010 4.120 0.007 0.000 0.264 36 V C 1.387 177.415 176.094 -0.111 0.000 1.135 36 V CA 1.837 64.199 62.300 0.104 0.000 1.142 36 V CB -1.103 30.942 31.823 0.371 0.000 0.754 36 V HN 0.097 nan 8.190 nan 0.000 0.484 37 H N 0.005 118.942 119.070 -0.221 0.000 2.553 37 H HA 0.296 4.857 4.556 0.007 0.000 0.265 37 H C 0.578 175.838 175.328 -0.112 0.000 0.964 37 H CA 0.200 56.075 56.048 -0.289 0.000 1.156 37 H CB 0.047 29.425 29.762 -0.640 0.000 1.411 37 H HN 0.537 nan 8.280 nan 0.000 0.558 38 D N 0.875 121.236 120.400 -0.064 0.000 2.434 38 D HA -0.028 4.617 4.640 0.007 0.000 0.252 38 D C -1.526 174.714 176.300 -0.099 0.000 1.185 38 D CA -1.374 52.559 54.000 -0.111 0.000 0.886 38 D CB 1.259 41.904 40.800 -0.258 0.000 1.148 38 D HN 0.050 nan 8.370 nan 0.000 0.483 39 P HA -0.153 nan 4.420 nan 0.000 0.215 39 P C 0.695 177.949 177.300 -0.077 0.000 1.157 39 P CA 1.226 64.301 63.100 -0.041 0.000 0.868 39 P CB 0.173 31.861 31.700 -0.019 0.000 0.788 40 E N -0.803 119.337 120.200 -0.100 0.000 2.051 40 E HA -0.168 4.186 4.350 0.007 0.000 0.192 40 E C 1.866 178.370 176.600 -0.161 0.000 0.991 40 E CA 0.933 57.266 56.400 -0.111 0.000 0.799 40 E CB -0.588 29.050 29.700 -0.103 0.000 0.748 40 E HN 0.235 nan 8.360 nan 0.000 0.449 41 N N 0.364 118.903 118.700 -0.268 0.000 2.149 41 N HA -0.117 4.628 4.740 0.007 0.000 0.188 41 N C 1.870 177.254 175.510 -0.209 0.000 1.019 41 N CA 1.494 54.331 53.050 -0.356 0.000 0.857 41 N CB -0.536 37.534 38.487 -0.694 0.000 0.997 41 N HN 0.133 nan 8.380 nan 0.000 0.426 42 T N 1.033 115.493 114.554 -0.158 0.000 2.701 42 T HA -0.021 4.334 4.350 0.007 0.000 0.263 42 T C 2.034 176.689 174.700 -0.075 0.000 1.040 42 T CA 1.402 63.444 62.100 -0.097 0.000 1.147 42 T CB -0.424 68.403 68.868 -0.070 0.000 0.865 42 T HN 0.328 nan 8.240 nan 0.000 0.426 43 A N 1.550 124.328 122.820 -0.070 0.000 1.908 43 A HA 0.102 4.427 4.320 0.007 0.000 0.218 43 A C 2.556 180.113 177.584 -0.046 0.000 1.181 43 A CA 1.862 53.868 52.037 -0.051 0.000 0.627 43 A CB -1.029 17.944 19.000 -0.045 0.000 0.818 43 A HN 0.520 nan 8.150 nan 0.000 0.445 44 A N -2.029 120.757 122.820 -0.057 0.000 2.119 44 A HA 0.355 4.680 4.320 0.007 0.000 0.217 44 A C 2.003 179.571 177.584 -0.026 0.000 1.153 44 A CA 1.418 53.430 52.037 -0.041 0.000 0.692 44 A CB -0.954 18.015 19.000 -0.052 0.000 0.799 44 A HN 1.967 nan 8.150 nan 0.000 0.458 45 G N -1.435 107.344 108.800 -0.034 0.000 2.159 45 G HA2 -0.279 3.685 3.960 0.007 0.000 0.256 45 G HA3 -0.279 3.685 3.960 0.007 0.000 0.256 45 G C 0.811 175.719 174.900 0.013 0.000 0.977 45 G CA 0.510 45.603 45.100 -0.012 0.000 0.652 45 G HN 0.415 nan 8.290 nan 0.000 0.531 46 L N -0.293 120.926 121.223 -0.005 0.000 2.093 46 L HA 0.137 4.481 4.340 0.007 0.000 0.208 46 L C 1.770 178.694 176.870 0.089 0.000 1.085 46 L CA 1.744 56.613 54.840 0.048 0.000 0.755 46 L CB -0.355 41.697 42.059 -0.012 0.000 0.904 46 L HN 0.495 nan 8.230 nan 0.000 0.435 47 V N -4.881 115.039 119.914 0.010 0.000 2.815 47 V HA 0.355 4.479 4.120 0.007 0.000 0.314 47 V C 1.083 177.187 176.094 0.018 0.000 1.064 47 V CA -0.247 62.090 62.300 0.062 0.000 0.952 47 V CB 1.570 33.411 31.823 0.030 0.000 1.020 47 V HN 0.171 nan 8.190 nan 0.000 0.439 48 S N 1.046 116.754 115.700 0.012 0.000 2.402 48 S HA 0.198 4.672 4.470 0.007 0.000 0.229 48 S C 1.647 176.206 174.600 -0.068 0.000 1.021 48 S CA 1.510 59.685 58.200 -0.041 0.000 0.974 48 S CB -0.270 62.875 63.200 -0.091 0.000 0.800 48 S HN 2.699 nan 8.310 nan 0.000 0.484 49 G N 0.610 109.370 108.800 -0.066 0.000 2.231 49 G HA2 -0.142 3.822 3.960 0.007 0.000 0.206 49 G HA3 -0.142 3.822 3.960 0.007 0.000 0.206 49 G C -0.451 174.267 174.900 -0.304 0.000 0.996 49 G CA -0.010 44.991 45.100 -0.165 0.000 0.645 49 G HN 0.528 nan 8.290 nan 0.000 0.498 50 D N 0.293 120.616 120.400 -0.127 0.000 2.339 50 D HA 0.556 5.201 4.640 0.007 0.000 0.245 50 D C 0.207 176.608 176.300 0.169 0.000 1.115 50 D CA 0.361 54.333 54.000 -0.048 0.000 0.917 50 D CB 0.562 41.368 40.800 0.010 0.000 1.192 50 D HN 0.248 nan 8.370 nan 0.000 0.428 51 F N 0.453 120.366 119.950 -0.062 0.000 2.469 51 F HA 0.198 4.729 4.527 0.007 0.000 0.332 51 F C -1.298 174.183 175.800 -0.531 0.000 1.103 51 F CA -2.341 55.434 58.000 -0.375 0.000 0.979 51 F CB 2.304 41.124 39.000 -0.299 0.000 1.137 51 F HN 0.113 nan 8.300 nan 0.000 0.463 52 P HA -0.151 nan 4.420 nan 0.000 0.220 52 P C 0.574 177.715 177.300 -0.265 0.000 1.148 52 P CA 1.282 63.806 63.100 -0.960 0.000 0.803 52 P CB 0.167 31.155 31.700 -1.186 0.000 0.782 53 E N -0.766 119.402 120.200 -0.053 0.000 2.401 53 E HA -0.125 4.230 4.350 0.007 0.000 0.199 53 E C 0.723 177.389 176.600 0.109 0.000 1.023 53 E CA 0.856 57.317 56.400 0.102 0.000 0.859 53 E CB -1.038 28.784 29.700 0.203 0.000 0.780 53 E HN 0.457 nan 8.360 nan 0.000 0.523 54 N N 0.196 118.976 118.700 0.135 0.000 2.251 54 N HA 0.139 4.884 4.740 0.007 0.000 0.217 54 N C 0.554 176.103 175.510 0.064 0.000 1.124 54 N CA -0.149 52.966 53.050 0.107 0.000 0.843 54 N CB 0.877 39.426 38.487 0.104 0.000 1.024 54 N HN 0.111 nan 8.380 nan 0.000 0.501 55 G N 1.664 110.575 108.800 0.186 0.000 2.525 55 G HA2 0.036 4.001 3.960 0.007 0.000 0.276 55 G HA3 0.036 4.001 3.960 0.007 0.000 0.276 55 G C -1.171 173.966 174.900 0.394 0.000 1.388 55 G CA -0.654 44.615 45.100 0.281 0.000 1.050 55 G HN -0.050 nan 8.290 nan 0.000 0.520 56 P HA -0.028 nan 4.420 nan 0.000 0.225 56 P C 1.102 178.520 177.300 0.196 0.000 1.148 56 P CA 1.555 64.807 63.100 0.252 0.000 0.779 56 P CB 0.053 31.897 31.700 0.240 0.000 0.780 57 G N -0.021 108.917 108.800 0.230 0.000 2.225 57 G HA2 -0.331 3.633 3.960 0.007 0.000 0.264 57 G HA3 -0.331 3.633 3.960 0.007 0.000 0.264 57 G C 0.408 175.458 174.900 0.251 0.000 1.060 57 G CA 0.228 45.453 45.100 0.208 0.000 0.833 57 G HN 0.315 nan 8.290 nan 0.000 0.498 58 Y N -0.800 119.623 120.300 0.206 0.000 2.315 58 Y HA -0.116 4.438 4.550 0.007 0.000 0.288 58 Y C 2.338 178.351 175.900 0.189 0.000 1.154 58 Y CA 2.244 60.452 58.100 0.181 0.000 1.229 58 Y CB -0.101 38.503 38.460 0.239 0.000 0.980 58 Y HN 0.549 nan 8.280 nan 0.000 0.540 59 W N 1.314 122.650 121.300 0.061 0.000 2.364 59 W HA -0.247 4.417 4.660 0.008 0.000 0.281 59 W C 0.927 177.413 176.519 -0.056 0.000 1.219 59 W CA 2.017 59.344 57.345 -0.029 0.000 1.220 59 W CB -0.147 29.275 29.460 -0.063 0.000 1.127 59 W HN 0.281 nan 8.180 nan 0.000 0.556 60 N N -0.397 118.351 118.700 0.079 0.000 2.407 60 N HA 0.047 4.791 4.740 0.007 0.000 0.182 60 N C 1.475 176.927 175.510 -0.096 0.000 1.079 60 N CA 0.470 53.519 53.050 -0.003 0.000 0.882 60 N CB -0.155 38.373 38.487 0.068 0.000 1.106 60 N HN 0.201 nan 8.380 nan 0.000 0.461 61 L N 1.794 122.954 121.223 -0.105 0.000 2.667 61 L HA 0.120 4.464 4.340 0.007 0.000 0.232 61 L C 1.525 178.243 176.870 -0.254 0.000 1.138 61 L CA -0.072 54.694 54.840 -0.124 0.000 0.921 61 L CB -0.314 41.728 42.059 -0.029 0.000 1.180 61 L HN 0.098 nan 8.230 nan 0.000 0.487 62 N N 0.453 118.819 118.700 -0.557 0.000 2.069 62 N HA -0.359 4.385 4.740 0.007 0.000 0.196 62 N C 1.749 176.801 175.510 -0.762 0.000 1.024 62 N CA 1.938 54.401 53.050 -0.977 0.000 0.869 62 N CB -0.303 37.430 38.487 -1.256 0.000 1.035 62 N HN 0.401 nan 8.380 nan 0.000 0.434 63 Q N -0.022 119.515 119.800 -0.439 0.000 2.084 63 Q HA -0.121 4.223 4.340 0.007 0.000 0.202 63 Q C 1.262 177.215 176.000 -0.078 0.000 0.978 63 Q CA 1.398 57.078 55.803 -0.204 0.000 0.844 63 Q CB -0.083 28.582 28.738 -0.121 0.000 0.898 63 Q HN 0.517 nan 8.270 nan 0.000 0.426 64 N N 0.698 119.345 118.700 -0.088 0.000 2.188 64 N HA -0.121 4.623 4.740 0.007 0.000 0.184 64 N C 1.091 176.617 175.510 0.027 0.000 1.018 64 N CA 1.268 54.304 53.050 -0.023 0.000 0.858 64 N CB -0.140 38.322 38.487 -0.042 0.000 0.989 64 N HN 0.310 nan 8.380 nan 0.000 0.426 65 D N 0.108 120.523 120.400 0.025 0.000 2.183 65 D HA -0.058 4.587 4.640 0.007 0.000 0.203 65 D C 1.646 178.110 176.300 0.273 0.000 0.969 65 D CA 0.775 54.850 54.000 0.124 0.000 0.842 65 D CB -0.328 40.596 40.800 0.207 0.000 0.957 65 D HN 0.524 nan 8.370 nan 0.000 0.484 66 H N 0.287 119.499 119.070 0.236 0.000 2.389 66 H HA -0.067 4.494 4.556 0.009 0.000 0.299 66 H C 1.381 176.921 175.328 0.353 0.000 1.081 66 H CA 0.754 57.028 56.048 0.375 0.000 1.345 66 H CB 0.398 30.435 29.762 0.457 0.000 1.393 66 H HN 0.044 nan 8.280 nan 0.000 0.520 67 D N 0.828 121.422 120.400 0.323 0.000 2.117 67 D HA -0.137 4.508 4.640 0.007 0.000 0.198 67 D C 2.275 178.687 176.300 0.187 0.000 0.982 67 D CA 0.430 54.556 54.000 0.211 0.000 0.828 67 D CB -0.270 40.601 40.800 0.117 0.000 0.967 67 D HN 0.301 nan 8.370 nan 0.000 0.464 68 L N 0.733 122.049 121.223 0.156 0.000 2.012 68 L HA -0.210 4.134 4.340 0.007 0.000 0.210 68 L C 2.340 179.305 176.870 0.157 0.000 1.073 68 L CA 1.483 56.388 54.840 0.109 0.000 0.748 68 L CB -0.267 41.821 42.059 0.048 0.000 0.891 68 L HN -0.036 nan 8.230 nan 0.000 0.431 69 A N -0.355 122.601 122.820 0.226 0.000 1.892 69 A HA -0.333 3.992 4.320 0.007 0.000 0.218 69 A C 2.139 179.951 177.584 0.379 0.000 1.188 69 A CA 2.187 54.407 52.037 0.304 0.000 0.631 69 A CB -0.734 18.507 19.000 0.402 0.000 0.822 69 A HN 0.596 nan 8.150 nan 0.000 0.447 70 E N -0.452 119.991 120.200 0.405 0.000 2.110 70 E HA -0.219 4.136 4.350 0.007 0.000 0.193 70 E C 2.054 178.778 176.600 0.206 0.000 0.988 70 E CA 1.453 58.032 56.400 0.298 0.000 0.804 70 E CB -0.114 29.711 29.700 0.208 0.000 0.745 70 E HN 0.626 nan 8.360 nan 0.000 0.458 71 K N 0.179 120.686 120.400 0.178 0.000 2.209 71 K HA -0.099 4.226 4.320 0.007 0.000 0.204 71 K C 1.614 178.308 176.600 0.157 0.000 1.048 71 K CA 0.876 57.244 56.287 0.135 0.000 0.940 71 K CB 0.061 32.624 32.500 0.104 0.000 0.729 71 K HN 0.215 nan 8.250 nan 0.000 0.451 72 L N -0.636 120.713 121.223 0.210 0.000 2.592 72 L HA 0.186 4.530 4.340 0.007 0.000 0.227 72 L C 1.007 178.082 176.870 0.341 0.000 1.127 72 L CA 0.420 55.424 54.840 0.273 0.000 0.884 72 L CB 0.375 42.611 42.059 0.296 0.000 1.065 72 L HN 0.506 nan 8.230 nan 0.000 0.457 73 G N 0.140 109.111 108.800 0.285 0.000 2.141 73 G HA2 -0.232 3.733 3.960 0.007 0.000 0.231 73 G HA3 -0.232 3.733 3.960 0.007 0.000 0.231 73 G C 0.193 175.290 174.900 0.329 0.000 0.984 73 G CA -0.145 45.103 45.100 0.245 0.000 0.660 73 G HN 0.066 nan 8.290 nan 0.000 0.525 74 V N 1.542 121.737 119.914 0.467 0.000 2.485 74 V HA 0.280 4.405 4.120 0.007 0.000 0.287 74 V C 1.310 177.687 176.094 0.471 0.000 1.022 74 V CA 0.964 63.581 62.300 0.528 0.000 1.067 74 V CB 1.008 33.158 31.823 0.545 0.000 0.967 74 V HN 0.674 nan 8.190 nan 0.000 0.479 75 N N 2.204 121.114 118.700 0.349 0.000 2.227 75 N HA 0.083 4.827 4.740 0.007 0.000 0.196 75 N C 0.280 175.969 175.510 0.298 0.000 1.142 75 N CA 0.102 53.300 53.050 0.246 0.000 0.887 75 N CB 0.917 39.475 38.487 0.118 0.000 1.022 75 N HN 0.593 nan 8.380 nan 0.000 0.500 76 T N -0.091 114.635 114.554 0.286 0.000 2.993 76 T HA 0.622 4.976 4.350 0.007 0.000 0.312 76 T C -1.803 172.830 174.700 -0.112 0.000 1.115 76 T CA -0.738 61.451 62.100 0.149 0.000 1.027 76 T CB 0.729 69.586 68.868 -0.017 0.000 1.116 76 T HN 0.114 nan 8.240 nan 0.000 0.464 77 I N 3.657 124.039 120.570 -0.313 0.000 2.730 77 I HA 0.593 4.768 4.170 0.007 0.000 0.298 77 I C -0.298 175.502 176.117 -0.528 0.000 1.089 77 I CA -1.167 59.696 61.300 -0.728 0.000 1.041 77 I CB 2.334 39.527 38.000 -1.345 0.000 1.235 77 I HN 0.454 nan 8.210 nan 0.000 0.423 78 R N 5.812 126.024 120.500 -0.480 0.000 2.393 78 R HA 0.752 5.097 4.340 0.007 0.000 0.315 78 R C -1.538 174.578 176.300 -0.307 0.000 0.952 78 R CA -0.320 55.604 56.100 -0.294 0.000 0.842 78 R CB 1.670 31.902 30.300 -0.113 0.000 1.163 78 R HN 0.590 nan 8.270 nan 0.000 0.450 79 V N 0.429 120.159 119.914 -0.306 0.000 3.158 79 V HA 0.946 5.071 4.120 0.007 0.000 0.311 79 V C -0.175 175.891 176.094 -0.046 0.000 1.181 79 V CA -0.599 61.552 62.300 -0.248 0.000 1.054 79 V CB 1.748 33.279 31.823 -0.486 0.000 1.085 79 V HN 0.801 nan 8.190 nan 0.000 0.446 80 G N -0.803 108.073 108.800 0.127 0.000 3.042 80 G HA2 0.715 4.680 3.960 0.007 0.000 0.278 80 G HA3 0.715 4.680 3.960 0.007 0.000 0.278 80 G C -1.624 173.461 174.900 0.307 0.000 1.371 80 G CA -0.851 44.396 45.100 0.245 0.000 1.009 80 G HN 1.200 nan 8.290 nan 0.000 0.523 81 V N 0.527 120.597 119.914 0.261 0.000 2.623 81 V HA 0.367 4.492 4.120 0.007 0.000 0.304 81 V C -0.910 175.400 176.094 0.360 0.000 1.054 81 V CA -0.993 61.324 62.300 0.027 0.000 0.882 81 V CB 1.819 33.587 31.823 -0.091 0.000 1.002 81 V HN 0.655 nan 8.190 nan 0.000 0.424 82 E N 3.210 123.671 120.200 0.435 0.000 2.217 82 E HA 0.004 4.359 4.350 0.007 0.000 0.279 82 E C 0.323 177.206 176.600 0.472 0.000 1.068 82 E CA -0.180 56.513 56.400 0.487 0.000 0.882 82 E CB 0.882 30.857 29.700 0.458 0.000 1.039 82 E HN 0.804 nan 8.360 nan 0.000 0.418 83 W N 4.277 125.668 121.300 0.152 0.000 2.318 83 W HA -0.257 4.408 4.660 0.008 0.000 0.313 83 W C 1.888 178.416 176.519 0.014 0.000 1.221 83 W CA 2.248 59.449 57.345 -0.240 0.000 1.266 83 W CB -0.629 28.641 29.460 -0.318 0.000 1.150 83 W HN 0.513 nan 8.180 nan 0.000 0.496 84 S N 0.193 116.046 115.700 0.255 0.000 2.447 84 S HA -0.129 4.345 4.470 0.007 0.000 0.233 84 S C 1.829 176.532 174.600 0.172 0.000 1.006 84 S CA 1.151 59.423 58.200 0.120 0.000 0.957 84 S CB -0.489 62.724 63.200 0.022 0.000 0.773 84 S HN 0.390 nan 8.310 nan 0.000 0.507 85 R N 0.217 120.855 120.500 0.230 0.000 2.127 85 R HA 0.234 4.579 4.340 0.007 0.000 0.217 85 R C 1.840 178.270 176.300 0.217 0.000 1.074 85 R CA 0.840 57.058 56.100 0.196 0.000 0.991 85 R CB -0.264 30.199 30.300 0.273 0.000 0.895 85 R HN 0.378 nan 8.270 nan 0.000 0.450 86 I N 0.043 120.756 120.570 0.238 0.000 2.333 86 I HA -0.093 4.082 4.170 0.007 0.000 0.246 86 I C 0.476 176.420 176.117 -0.289 0.000 1.106 86 I CA 1.274 62.575 61.300 0.003 0.000 1.411 86 I CB -0.289 37.726 38.000 0.025 0.000 1.082 86 I HN -0.044 nan 8.210 nan 0.000 0.420 87 F N 1.155 121.324 119.950 0.366 0.000 2.550 87 F HA 0.374 4.905 4.527 0.007 0.000 0.348 87 F C -1.748 174.257 175.800 0.343 0.000 1.219 87 F CA -2.391 55.796 58.000 0.313 0.000 1.203 87 F CB 0.330 39.586 39.000 0.427 0.000 1.436 87 F HN -0.125 nan 8.300 nan 0.000 0.541 88 P HA -0.125 nan 4.420 nan 0.000 0.220 88 P C 0.208 177.696 177.300 0.314 0.000 1.148 88 P CA 1.384 64.640 63.100 0.261 0.000 0.803 88 P CB 0.314 32.087 31.700 0.122 0.000 0.782 89 K N -0.800 119.685 120.400 0.142 0.000 2.123 89 K HA 0.417 4.741 4.320 0.007 0.000 0.248 89 K C -2.626 173.472 176.600 -0.837 0.000 0.969 89 K CA -2.856 53.326 56.287 -0.174 0.000 0.882 89 K CB -0.277 32.149 32.500 -0.122 0.000 1.080 89 K HN -0.195 nan 8.250 nan 0.000 0.441 90 P HA 0.011 nan 4.420 nan 0.000 0.268 90 P C 0.356 176.914 177.300 -1.237 0.000 1.204 90 P CA 0.286 62.138 63.100 -2.080 0.000 0.768 90 P CB 0.337 31.405 31.700 -1.054 0.000 0.842 91 T N -1.546 112.195 114.554 -1.356 0.000 3.092 91 T HA 0.189 4.543 4.350 0.007 0.000 0.258 91 T C 1.382 175.861 174.700 -0.369 0.000 1.031 91 T CA -0.025 61.668 62.100 -0.678 0.000 0.925 91 T CB -1.044 67.450 68.868 -0.624 0.000 1.036 91 T HN 0.155 nan 8.240 nan 0.000 0.544 92 F N 2.698 122.421 119.950 -0.377 0.000 2.115 92 F HA -0.169 4.363 4.527 0.007 0.000 0.300 92 F C 2.361 178.082 175.800 -0.131 0.000 1.092 92 F CA 0.660 58.553 58.000 -0.178 0.000 1.245 92 F CB -0.405 38.505 39.000 -0.150 0.000 0.995 92 F HN 0.239 nan 8.300 nan 0.000 0.481 93 N N 0.238 118.960 118.700 0.037 0.000 2.512 93 N HA -0.054 4.691 4.740 0.007 0.000 0.183 93 N C 0.293 175.788 175.510 -0.025 0.000 1.073 93 N CA 0.433 53.481 53.050 -0.004 0.000 0.911 93 N CB -0.107 38.361 38.487 -0.031 0.000 0.964 93 N HN 0.001 nan 8.380 nan 0.000 0.447 94 V N 3.119 123.002 119.914 -0.051 0.000 2.302 94 V HA -0.002 4.123 4.120 0.007 0.000 0.244 94 V C 1.387 177.471 176.094 -0.017 0.000 1.160 94 V CA -0.075 62.193 62.300 -0.053 0.000 1.127 94 V CB -0.455 31.309 31.823 -0.098 0.000 1.253 94 V HN 0.123 nan 8.190 nan 0.000 0.496 95 K N 2.798 123.194 120.400 -0.006 0.000 1.974 95 K HA -0.208 4.116 4.320 0.007 0.000 0.233 95 K C 0.516 177.128 176.600 0.020 0.000 1.017 95 K CA 1.889 58.181 56.287 0.008 0.000 1.030 95 K CB -0.252 32.250 32.500 0.002 0.000 0.728 95 K HN 0.447 nan 8.250 nan 0.000 0.455 96 V N 0.243 120.167 119.914 0.016 0.000 3.511 96 V HA -0.145 3.979 4.120 0.007 0.000 0.502 96 V C -2.519 173.600 176.094 0.043 0.000 0.682 96 V CA -0.506 61.812 62.300 0.030 0.000 2.051 96 V CB -0.845 30.998 31.823 0.033 0.000 2.482 96 V HN 0.352 nan 8.190 nan 0.000 0.508 97 P HA 0.431 nan 4.420 nan 0.000 0.268 97 P C -0.877 176.475 177.300 0.088 0.000 1.204 97 P CA -0.034 63.101 63.100 0.058 0.000 0.768 97 P CB 0.711 32.444 31.700 0.056 0.000 0.842 98 V N 3.159 123.118 119.914 0.074 0.000 2.447 98 V HA 0.213 4.338 4.120 0.007 0.000 0.292 98 V C 0.021 176.159 176.094 0.074 0.000 1.021 98 V CA -0.627 61.725 62.300 0.087 0.000 0.850 98 V CB 1.683 33.546 31.823 0.067 0.000 1.005 98 V HN 0.463 nan 8.190 nan 0.000 0.426 99 E N 4.724 124.985 120.200 0.101 0.000 2.229 99 E HA 0.446 4.800 4.350 0.007 0.000 0.283 99 E C -0.615 176.017 176.600 0.052 0.000 1.030 99 E CA -0.377 56.061 56.400 0.064 0.000 0.836 99 E CB 1.088 30.827 29.700 0.065 0.000 1.068 99 E HN 0.529 nan 8.360 nan 0.000 0.401 100 R N 3.136 123.652 120.500 0.026 0.000 2.513 100 R HA 0.164 4.509 4.340 0.007 0.000 0.301 100 R C 0.237 176.540 176.300 0.004 0.000 0.968 100 R CA -0.806 55.303 56.100 0.016 0.000 0.872 100 R CB 1.321 31.628 30.300 0.012 0.000 1.177 100 R HN 0.615 nan 8.270 nan 0.000 0.444 101 D N 2.167 122.567 120.400 -0.001 0.000 2.325 101 D HA -0.052 4.592 4.640 0.007 0.000 0.262 101 D C 0.445 176.739 176.300 -0.010 0.000 1.263 101 D CA -0.102 53.893 54.000 -0.008 0.000 1.020 101 D CB 0.720 41.511 40.800 -0.016 0.000 1.117 101 D HN 0.338 nan 8.370 nan 0.000 0.545 102 E N -0.522 119.671 120.200 -0.012 0.000 2.152 102 E HA -0.113 4.242 4.350 0.007 0.000 0.192 102 E C 1.312 177.903 176.600 -0.014 0.000 0.983 102 E CA 0.866 57.259 56.400 -0.012 0.000 0.818 102 E CB -0.525 29.169 29.700 -0.011 0.000 0.758 102 E HN 0.493 nan 8.360 nan 0.000 0.467 103 N N -0.396 118.294 118.700 -0.017 0.000 2.336 103 N HA 0.123 4.868 4.740 0.007 0.000 0.189 103 N C 0.911 176.409 175.510 -0.020 0.000 1.113 103 N CA 0.732 53.770 53.050 -0.020 0.000 0.858 103 N CB 0.976 39.449 38.487 -0.024 0.000 0.970 103 N HN 0.245 nan 8.380 nan 0.000 0.471 104 G N -0.725 108.066 108.800 -0.015 0.000 2.175 104 G HA2 -0.288 3.677 3.960 0.007 0.000 0.244 104 G HA3 -0.288 3.677 3.960 0.007 0.000 0.244 104 G C 0.018 174.912 174.900 -0.010 0.000 0.982 104 G CA -0.002 45.091 45.100 -0.012 0.000 0.641 104 G HN 0.310 nan 8.290 nan 0.000 0.527 105 S N 0.195 115.886 115.700 -0.016 0.000 2.562 105 S HA 0.451 4.925 4.470 0.007 0.000 0.281 105 S C 0.822 175.421 174.600 -0.002 0.000 1.333 105 S CA -0.015 58.175 58.200 -0.018 0.000 1.052 105 S CB 0.933 64.112 63.200 -0.034 0.000 0.884 105 S HN 0.360 nan 8.310 nan 0.000 0.506 106 I N 3.653 124.228 120.570 0.008 0.000 2.241 106 I HA 0.050 4.225 4.170 0.007 0.000 0.294 106 I C 1.249 177.380 176.117 0.024 0.000 1.145 106 I CA -0.289 61.028 61.300 0.029 0.000 1.261 106 I CB 0.255 38.284 38.000 0.048 0.000 1.475 106 I HN 0.575 nan 8.210 nan 0.000 0.533 107 V N 1.752 121.684 119.914 0.030 0.000 3.217 107 V HA 0.060 4.184 4.120 0.007 0.000 0.264 107 V C 0.625 176.780 176.094 0.102 0.000 1.135 107 V CA 1.038 63.358 62.300 0.034 0.000 1.142 107 V CB -0.770 31.066 31.823 0.022 0.000 0.754 107 V HN 0.755 nan 8.190 nan 0.000 0.484 108 H N -1.144 117.926 119.070 0.001 0.000 3.140 108 H HA 0.571 5.131 4.556 0.007 0.000 0.336 108 H C -2.175 173.167 175.328 0.022 0.000 1.142 108 H CA -0.235 55.818 56.048 0.009 0.000 1.308 108 H CB 2.350 32.113 29.762 0.002 0.000 1.970 108 H HN 0.039 nan 8.280 nan 0.000 0.521 109 V N 4.552 124.295 119.914 -0.285 0.000 2.482 109 V HA 0.109 4.233 4.120 0.007 0.000 0.295 109 V C -0.441 175.586 176.094 -0.111 0.000 1.026 109 V CA -0.735 61.528 62.300 -0.060 0.000 0.856 109 V CB 1.607 33.408 31.823 -0.036 0.000 1.001 109 V HN 0.718 nan 8.190 nan 0.000 0.424 110 D N 4.269 124.751 120.400 0.136 0.000 2.396 110 D HA 0.444 5.089 4.640 0.007 0.000 0.225 110 D C -0.630 175.726 176.300 0.093 0.000 1.121 110 D CA -0.066 54.040 54.000 0.176 0.000 0.853 110 D CB 1.444 42.393 40.800 0.249 0.000 1.043 110 D HN 0.274 nan 8.370 nan 0.000 0.500 111 V N 5.019 124.982 119.914 0.082 0.000 2.293 111 V HA 0.276 4.400 4.120 0.007 0.000 0.275 111 V C 0.070 176.250 176.094 0.143 0.000 1.021 111 V CA -0.877 61.471 62.300 0.080 0.000 0.815 111 V CB 0.719 32.575 31.823 0.056 0.000 1.025 111 V HN 0.614 nan 8.190 nan 0.000 0.448 112 D N 1.690 122.148 120.400 0.096 0.000 2.478 112 D HA 0.210 4.854 4.640 0.007 0.000 0.269 112 D C 0.661 177.021 176.300 0.100 0.000 1.232 112 D CA -0.621 53.440 54.000 0.101 0.000 1.059 112 D CB 0.773 41.598 40.800 0.041 0.000 1.104 112 D HN 0.274 nan 8.370 nan 0.000 0.566 113 D N -1.043 119.401 120.400 0.073 0.000 2.149 113 D HA -0.142 4.503 4.640 0.007 0.000 0.198 113 D C 1.628 177.870 176.300 -0.096 0.000 0.990 113 D CA 1.398 55.395 54.000 -0.004 0.000 0.839 113 D CB 0.029 40.837 40.800 0.013 0.000 0.948 113 D HN 0.346 nan 8.370 nan 0.000 0.460 114 K N 0.316 120.687 120.400 -0.048 0.000 2.057 114 K HA -0.022 4.302 4.320 0.007 0.000 0.206 114 K C 2.196 178.753 176.600 -0.071 0.000 1.050 114 K CA 1.055 57.310 56.287 -0.053 0.000 0.935 114 K CB -0.134 32.351 32.500 -0.025 0.000 0.715 114 K HN 0.079 nan 8.250 nan 0.000 0.439 115 A N 1.157 123.944 122.820 -0.056 0.000 1.908 115 A HA -0.141 4.183 4.320 0.007 0.000 0.218 115 A C 2.385 179.904 177.584 -0.109 0.000 1.181 115 A CA 1.542 53.542 52.037 -0.063 0.000 0.627 115 A CB -0.733 18.247 19.000 -0.032 0.000 0.818 115 A HN 0.074 nan 8.150 nan 0.000 0.445 116 V N 0.142 119.950 119.914 -0.176 0.000 2.343 116 V HA -0.282 3.843 4.120 0.007 0.000 0.247 116 V C 2.382 178.308 176.094 -0.281 0.000 1.051 116 V CA 2.316 64.429 62.300 -0.311 0.000 1.036 116 V CB -0.924 30.474 31.823 -0.708 0.000 0.654 116 V HN 0.652 nan 8.190 nan 0.000 0.451 117 E N -0.168 119.861 120.200 -0.285 0.000 2.110 117 E HA -0.266 4.088 4.350 0.007 0.000 0.193 117 E C 2.383 178.960 176.600 -0.040 0.000 0.988 117 E CA 1.211 57.525 56.400 -0.144 0.000 0.804 117 E CB -0.168 29.470 29.700 -0.104 0.000 0.745 117 E HN 0.330 nan 8.360 nan 0.000 0.458 118 R N 1.337 121.801 120.500 -0.060 0.000 2.062 118 R HA -0.062 4.282 4.340 0.007 0.000 0.229 118 R C 2.080 178.350 176.300 -0.050 0.000 1.128 118 R CA 1.217 57.291 56.100 -0.043 0.000 0.960 118 R CB -0.710 29.558 30.300 -0.054 0.000 0.855 118 R HN 0.148 nan 8.270 nan 0.000 0.432 119 L N 0.833 122.005 121.223 -0.086 0.000 2.079 119 L HA -0.187 4.157 4.340 0.007 0.000 0.210 119 L C 2.248 179.052 176.870 -0.110 0.000 1.081 119 L CA 1.846 56.604 54.840 -0.137 0.000 0.752 119 L CB -0.654 41.300 42.059 -0.175 0.000 0.896 119 L HN 0.392 nan 8.230 nan 0.000 0.433 120 D N 0.222 120.618 120.400 -0.007 0.000 2.309 120 D HA -0.184 4.460 4.640 0.007 0.000 0.212 120 D C 1.686 178.065 176.300 0.133 0.000 0.968 120 D CA 0.988 55.099 54.000 0.184 0.000 0.882 120 D CB 0.251 41.344 40.800 0.488 0.000 0.918 120 D HN 0.515 nan 8.370 nan 0.000 0.503 121 E N -0.349 119.895 120.200 0.074 0.000 2.230 121 E HA 0.003 4.358 4.350 0.007 0.000 0.192 121 E C 2.228 178.863 176.600 0.058 0.000 0.987 121 E CA 0.177 56.616 56.400 0.065 0.000 0.841 121 E CB 0.315 30.037 29.700 0.037 0.000 0.783 121 E HN 0.345 nan 8.360 nan 0.000 0.481 122 L N 0.868 122.125 121.223 0.057 0.000 2.249 122 L HA 0.144 4.488 4.340 0.007 0.000 0.207 122 L C 1.338 178.314 176.870 0.177 0.000 1.090 122 L CA -0.332 54.559 54.840 0.084 0.000 0.802 122 L CB -0.242 41.834 42.059 0.027 0.000 0.947 122 L HN -0.024 nan 8.230 nan 0.000 0.453 123 A N 0.991 123.916 122.820 0.175 0.000 2.547 123 A HA -0.081 4.244 4.320 0.007 0.000 0.233 123 A C 0.274 177.884 177.584 0.044 0.000 1.067 123 A CA 0.071 52.099 52.037 -0.015 0.000 0.763 123 A CB -0.202 18.647 19.000 -0.252 0.000 1.007 123 A HN 0.356 nan 8.150 nan 0.000 0.506 124 N N 0.711 119.426 118.700 0.024 0.000 2.482 124 N HA 0.129 4.873 4.740 0.007 0.000 0.242 124 N C 0.884 176.467 175.510 0.122 0.000 1.100 124 N CA -0.336 52.763 53.050 0.081 0.000 0.946 124 N CB 0.488 39.027 38.487 0.086 0.000 1.227 124 N HN 0.470 nan 8.380 nan 0.000 0.508 125 K N 2.004 122.480 120.400 0.126 0.000 2.074 125 K HA -0.226 4.099 4.320 0.007 0.000 0.209 125 K C 1.224 177.910 176.600 0.144 0.000 1.048 125 K CA 1.197 57.571 56.287 0.145 0.000 0.926 125 K CB -0.092 32.482 32.500 0.124 0.000 0.713 125 K HN 0.720 nan 8.250 nan 0.000 0.444 126 E N 0.282 120.559 120.200 0.129 0.000 2.085 126 E HA -0.187 4.167 4.350 0.007 0.000 0.194 126 E C 1.885 178.607 176.600 0.202 0.000 0.994 126 E CA 1.246 57.728 56.400 0.136 0.000 0.801 126 E CB 0.008 29.775 29.700 0.110 0.000 0.743 126 E HN 0.297 nan 8.360 nan 0.000 0.453 127 A N 0.297 123.262 122.820 0.243 0.000 1.873 127 A HA -0.118 4.207 4.320 0.007 0.000 0.215 127 A C 2.411 180.236 177.584 0.401 0.000 1.186 127 A CA 1.362 53.624 52.037 0.375 0.000 0.616 127 A CB -0.704 18.516 19.000 0.366 0.000 0.823 127 A HN 0.207 nan 8.150 nan 0.000 0.442 128 V N 1.061 121.179 119.914 0.341 0.000 2.252 128 V HA -0.362 3.763 4.120 0.007 0.000 0.249 128 V C 2.183 178.407 176.094 0.216 0.000 1.056 128 V CA 2.451 64.945 62.300 0.323 0.000 1.022 128 V CB -1.277 30.711 31.823 0.274 0.000 0.641 128 V HN 0.654 nan 8.190 nan 0.000 0.445 129 N N -1.215 117.573 118.700 0.147 0.000 2.166 129 N HA -0.219 4.525 4.740 0.007 0.000 0.186 129 N C 1.980 177.479 175.510 -0.019 0.000 1.019 129 N CA 1.076 54.161 53.050 0.059 0.000 0.856 129 N CB -0.230 38.289 38.487 0.054 0.000 0.993 129 N HN 0.573 nan 8.380 nan 0.000 0.426 130 H N -0.156 118.840 119.070 -0.122 0.000 2.428 130 H HA -0.082 4.479 4.556 0.008 0.000 0.296 130 H C 1.365 176.374 175.328 -0.531 0.000 1.062 130 H CA 1.340 57.155 56.048 -0.389 0.000 1.350 130 H CB 0.116 29.547 29.762 -0.552 0.000 1.403 130 H HN 0.290 nan 8.280 nan 0.000 0.533 131 Y N 0.290 120.449 120.300 -0.235 0.000 2.163 131 Y HA -0.180 4.374 4.550 0.007 0.000 0.288 131 Y C 2.958 178.588 175.900 -0.451 0.000 1.136 131 Y CA 1.220 59.072 58.100 -0.413 0.000 1.147 131 Y CB -0.569 37.821 38.460 -0.116 0.000 0.987 131 Y HN -0.040 nan 8.280 nan 0.000 0.509 132 V N 0.071 119.964 119.914 -0.036 0.000 2.332 132 V HA -0.334 3.791 4.120 0.007 0.000 0.248 132 V C 2.266 178.300 176.094 -0.100 0.000 1.055 132 V CA 2.275 64.558 62.300 -0.028 0.000 1.038 132 V CB -0.581 31.231 31.823 -0.019 0.000 0.651 132 V HN 0.419 nan 8.190 nan 0.000 0.450 133 E N -0.396 119.673 120.200 -0.218 0.000 2.051 133 E HA -0.226 4.128 4.350 0.007 0.000 0.192 133 E C 2.301 178.738 176.600 -0.271 0.000 0.991 133 E CA 1.579 57.819 56.400 -0.266 0.000 0.799 133 E CB -0.135 29.326 29.700 -0.397 0.000 0.748 133 E HN 0.543 nan 8.360 nan 0.000 0.449 134 M N -0.560 118.774 119.600 -0.445 0.000 2.086 134 M HA -0.168 4.317 4.480 0.007 0.000 0.261 134 M C 2.007 178.430 176.300 0.205 0.000 1.067 134 M CA 1.575 56.709 55.300 -0.277 0.000 1.116 134 M CB -0.397 31.897 32.600 -0.511 0.000 1.348 134 M HN 0.269 nan 8.290 nan 0.000 0.407 135 Y N -0.397 119.973 120.300 0.117 0.000 2.373 135 Y HA -0.150 4.405 4.550 0.008 0.000 0.293 135 Y C 2.546 178.506 175.900 0.100 0.000 1.129 135 Y CA 0.388 58.574 58.100 0.143 0.000 1.226 135 Y CB -0.194 38.331 38.460 0.107 0.000 1.000 135 Y HN 0.242 nan 8.280 nan 0.000 0.549 136 K N 0.769 121.278 120.400 0.180 0.000 2.155 136 K HA -0.191 4.133 4.320 0.007 0.000 0.203 136 K C 1.817 178.461 176.600 0.074 0.000 1.052 136 K CA 1.286 57.621 56.287 0.079 0.000 0.948 136 K CB -0.137 32.371 32.500 0.012 0.000 0.728 136 K HN 0.206 nan 8.250 nan 0.000 0.448 137 D N 0.029 120.502 120.400 0.121 0.000 2.178 137 D HA -0.216 4.429 4.640 0.007 0.000 0.201 137 D C 1.416 177.835 176.300 0.198 0.000 0.980 137 D CA 0.783 54.871 54.000 0.148 0.000 0.842 137 D CB -0.020 40.892 40.800 0.187 0.000 0.948 137 D HN 0.473 nan 8.370 nan 0.000 0.472 138 W N 1.073 122.368 121.300 -0.009 0.000 2.526 138 W HA -0.090 4.574 4.660 0.007 0.000 0.294 138 W C 1.784 178.226 176.519 -0.128 0.000 1.181 138 W CA 0.320 57.539 57.345 -0.210 0.000 1.373 138 W CB -0.181 28.974 29.460 -0.508 0.000 1.112 138 W HN -0.205 nan 8.180 nan 0.000 0.545 139 V N 1.919 121.775 119.914 -0.098 0.000 2.343 139 V HA -0.282 3.842 4.120 0.007 0.000 0.247 139 V C 1.928 177.890 176.094 -0.220 0.000 1.051 139 V CA 2.160 64.345 62.300 -0.193 0.000 1.036 139 V CB -0.977 30.819 31.823 -0.046 0.000 0.654 139 V HN 0.121 nan 8.190 nan 0.000 0.451 140 E N -0.069 120.047 120.200 -0.139 0.000 2.515 140 E HA -0.147 4.208 4.350 0.007 0.000 0.201 140 E C 1.952 178.454 176.600 -0.164 0.000 1.071 140 E CA 0.318 56.644 56.400 -0.123 0.000 0.880 140 E CB -0.155 29.501 29.700 -0.072 0.000 0.828 140 E HN 0.574 nan 8.360 nan 0.000 0.540 141 R N -0.215 120.125 120.500 -0.267 0.000 2.310 141 R HA 0.074 4.419 4.340 0.007 0.000 0.202 141 R C 0.944 177.062 176.300 -0.304 0.000 0.933 141 R CA 0.445 56.371 56.100 -0.291 0.000 1.054 141 R CB 0.503 30.549 30.300 -0.424 0.000 0.985 141 R HN 0.161 nan 8.270 nan 0.000 0.489 142 G N 1.711 110.337 108.800 -0.291 0.000 2.204 142 G HA2 -0.228 3.737 3.960 0.007 0.000 0.244 142 G HA3 -0.228 3.737 3.960 0.007 0.000 0.244 142 G C -0.379 174.342 174.900 -0.298 0.000 1.062 142 G CA -0.345 44.614 45.100 -0.235 0.000 0.798 142 G HN 0.068 nan 8.290 nan 0.000 0.496 143 R N -0.541 119.684 120.500 -0.458 0.000 2.892 143 R HA 0.608 4.953 4.340 0.007 0.000 0.265 143 R C 0.192 176.342 176.300 -0.250 0.000 1.025 143 R CA -0.798 55.013 56.100 -0.482 0.000 0.982 143 R CB 1.134 30.708 30.300 -1.209 0.000 1.185 143 R HN 0.288 nan 8.270 nan 0.000 0.484 144 K N 0.887 121.275 120.400 -0.019 0.000 2.118 144 K HA 0.483 4.808 4.320 0.007 0.000 0.267 144 K C -0.540 176.154 176.600 0.156 0.000 0.991 144 K CA -0.696 55.601 56.287 0.017 0.000 0.916 144 K CB 1.124 33.595 32.500 -0.049 0.000 1.041 144 K HN 0.196 nan 8.250 nan 0.000 0.455 145 L N 3.388 124.606 121.223 -0.008 0.000 2.385 145 L HA 0.499 4.844 4.340 0.007 0.000 0.273 145 L C -1.441 175.287 176.870 -0.237 0.000 0.990 145 L CA -0.398 54.376 54.840 -0.109 0.000 0.821 145 L CB 1.392 43.391 42.059 -0.100 0.000 1.279 145 L HN 0.563 nan 8.230 nan 0.000 0.412 146 I N 5.492 125.900 120.570 -0.270 0.000 2.362 146 I HA 0.335 4.509 4.170 0.007 0.000 0.289 146 I C -1.083 174.901 176.117 -0.221 0.000 0.994 146 I CA -0.787 60.367 61.300 -0.245 0.000 1.158 146 I CB 1.818 39.704 38.000 -0.190 0.000 1.315 146 I HN 0.406 nan 8.210 nan 0.000 0.451 147 L N 7.295 128.379 121.223 -0.231 0.000 2.287 147 L HA 0.467 4.812 4.340 0.007 0.000 0.287 147 L C -0.531 176.409 176.870 0.115 0.000 1.022 147 L CA -0.079 54.671 54.840 -0.150 0.000 0.814 147 L CB 1.095 42.967 42.059 -0.312 0.000 1.217 147 L HN 0.525 nan 8.230 nan 0.000 0.420 148 N N 3.788 122.590 118.700 0.170 0.000 2.400 148 N HA 0.358 5.103 4.740 0.007 0.000 0.288 148 N C 0.483 176.202 175.510 0.349 0.000 1.024 148 N CA -0.456 52.767 53.050 0.289 0.000 0.894 148 N CB 1.134 39.775 38.487 0.257 0.000 1.173 148 N HN 0.725 nan 8.380 nan 0.000 0.487 149 L N 1.629 123.112 121.223 0.433 0.000 2.270 149 L HA 0.136 4.480 4.340 0.007 0.000 0.210 149 L C -0.189 177.148 176.870 0.778 0.000 1.104 149 L CA 0.469 55.610 54.840 0.501 0.000 0.804 149 L CB -0.151 42.120 42.059 0.353 0.000 0.937 149 L HN 0.589 nan 8.230 nan 0.000 0.450 150 Y N -0.735 119.915 120.300 0.584 0.000 2.361 150 Y HA 0.326 4.880 4.550 0.007 0.000 0.328 150 Y C -0.681 175.499 175.900 0.465 0.000 1.044 150 Y CA -1.252 57.212 58.100 0.607 0.000 1.085 150 Y CB 0.952 39.803 38.460 0.652 0.000 1.194 150 Y HN -0.000 nan 8.280 nan 0.000 0.438 151 H N 6.809 125.727 119.070 -0.252 0.000 2.624 151 H HA 0.241 4.801 4.556 0.007 0.000 0.233 151 H C -0.722 174.343 175.328 -0.439 0.000 1.376 151 H CA -0.246 55.559 56.048 -0.405 0.000 1.137 151 H CB 0.046 29.726 29.762 -0.137 0.000 1.867 151 H HN 0.829 nan 8.280 nan 0.000 0.547 152 W N -2.735 117.993 121.300 -0.953 0.000 0.299 152 W HA -0.220 4.445 4.660 0.008 0.000 0.213 152 W C -2.135 174.493 176.519 0.182 0.000 0.912 152 W CA 0.461 57.579 57.345 -0.378 0.000 0.325 152 W CB -2.686 26.530 29.460 -0.407 0.000 1.905 152 W HN 0.381 nan 8.180 nan 0.000 1.155 153 P HA 0.230 nan 4.420 nan 0.000 0.266 153 P C 0.146 177.726 177.300 0.466 0.000 1.195 153 P CA 0.828 64.210 63.100 0.470 0.000 0.768 153 P CB 0.244 32.123 31.700 0.298 0.000 0.838 154 L N 5.334 126.702 121.223 0.242 0.000 2.341 154 L HA 0.527 4.871 4.340 0.007 0.000 0.267 154 L C -2.352 174.314 176.870 -0.341 0.000 1.009 154 L CA -2.827 51.948 54.840 -0.108 0.000 0.819 154 L CB 2.217 44.119 42.059 -0.263 0.000 1.323 154 L HN 0.135 nan 8.230 nan 0.000 0.425 155 P HA 0.100 nan 4.420 nan 0.000 0.268 155 P C 0.671 177.521 177.300 -0.751 0.000 1.205 155 P CA -0.138 62.438 63.100 -0.873 0.000 0.771 155 P CB 0.660 31.354 31.700 -1.677 0.000 0.858 156 L N 2.464 123.448 121.223 -0.399 0.000 2.127 156 L HA -0.140 4.204 4.340 0.007 0.000 0.211 156 L C 2.135 178.905 176.870 -0.166 0.000 1.089 156 L CA 1.309 56.023 54.840 -0.210 0.000 0.757 156 L CB -0.749 41.273 42.059 -0.062 0.000 0.899 156 L HN 0.642 nan 8.230 nan 0.000 0.434 157 W N -0.704 120.516 121.300 -0.133 0.000 2.525 157 W HA -0.123 4.541 4.660 0.007 0.000 0.259 157 W C 1.719 178.168 176.519 -0.116 0.000 1.253 157 W CA 0.388 57.663 57.345 -0.116 0.000 1.262 157 W CB -0.443 28.916 29.460 -0.168 0.000 1.122 157 W HN 0.213 nan 8.180 nan 0.000 0.607 158 L N -0.509 120.369 121.223 -0.575 0.000 2.388 158 L HA 0.244 4.588 4.340 0.007 0.000 0.209 158 L C 0.314 177.052 176.870 -0.219 0.000 1.061 158 L CA 0.766 55.319 54.840 -0.478 0.000 0.834 158 L CB 0.052 41.386 42.059 -1.210 0.000 1.029 158 L HN -0.071 nan 8.230 nan 0.000 0.473 159 H N 0.272 119.111 119.070 -0.385 0.000 2.924 159 H HA 0.193 4.753 4.556 0.007 0.000 0.333 159 H C -1.157 174.079 175.328 -0.154 0.000 0.979 159 H CA -0.680 55.221 56.048 -0.245 0.000 1.326 159 H CB 1.092 30.680 29.762 -0.290 0.000 1.600 159 H HN 0.009 nan 8.280 nan 0.000 0.520 160 N N 7.470 126.113 118.700 -0.095 0.000 2.699 160 N HA 0.105 4.849 4.740 0.007 0.000 0.232 160 N C -1.913 173.435 175.510 -0.270 0.000 1.027 160 N CA -2.191 50.766 53.050 -0.154 0.000 0.920 160 N CB 1.502 39.971 38.487 -0.030 0.000 1.148 160 N HN 0.492 nan 8.380 nan 0.000 0.509 161 P HA -0.158 nan 4.420 nan 0.000 0.215 161 P C 1.570 178.879 177.300 0.016 0.000 1.157 161 P CA 0.828 63.678 63.100 -0.417 0.000 0.868 161 P CB 0.582 32.007 31.700 -0.458 0.000 0.788 162 I N -0.470 120.151 120.570 0.085 0.000 2.226 162 I HA -0.174 4.001 4.170 0.007 0.000 0.245 162 I C 2.779 178.938 176.117 0.069 0.000 1.100 162 I CA 1.449 62.813 61.300 0.108 0.000 1.374 162 I CB -1.417 36.613 38.000 0.051 0.000 1.057 162 I HN 0.013 nan 8.210 nan 0.000 0.413 163 M N 0.198 119.817 119.600 0.032 0.000 2.229 163 M HA -0.121 4.364 4.480 0.007 0.000 0.264 163 M C 2.150 178.468 176.300 0.031 0.000 1.063 163 M CA 1.266 56.584 55.300 0.029 0.000 1.114 163 M CB 0.108 32.718 32.600 0.018 0.000 1.387 163 M HN -0.021 nan 8.290 nan 0.000 0.420 164 V N 0.222 120.152 119.914 0.028 0.000 2.427 164 V HA -0.231 3.893 4.120 0.007 0.000 0.248 164 V C 2.448 178.564 176.094 0.037 0.000 1.051 164 V CA 1.703 64.002 62.300 -0.000 0.000 1.048 164 V CB -0.847 31.003 31.823 0.046 0.000 0.666 164 V HN 0.502 nan 8.190 nan 0.000 0.456 165 R N -0.201 120.385 120.500 0.143 0.000 2.073 165 R HA -0.059 4.286 4.340 0.007 0.000 0.229 165 R C 2.575 178.991 176.300 0.193 0.000 1.120 165 R CA 1.245 57.494 56.100 0.248 0.000 0.967 165 R CB -0.047 30.406 30.300 0.255 0.000 0.862 165 R HN 0.450 nan 8.270 nan 0.000 0.436 166 R N -0.670 119.901 120.500 0.119 0.000 2.075 166 R HA 0.031 4.376 4.340 0.007 0.000 0.226 166 R C 2.030 178.378 176.300 0.080 0.000 1.114 166 R CA 1.110 57.263 56.100 0.087 0.000 0.972 166 R CB 0.036 30.370 30.300 0.056 0.000 0.869 166 R HN 0.168 nan 8.270 nan 0.000 0.437 167 M N -0.909 118.728 119.600 0.062 0.000 2.567 167 M HA 0.267 4.751 4.480 0.007 0.000 0.261 167 M C 0.671 176.994 176.300 0.038 0.000 1.180 167 M CA 0.545 55.871 55.300 0.044 0.000 1.143 167 M CB 0.515 33.129 32.600 0.023 0.000 1.319 167 M HN 0.245 nan 8.290 nan 0.000 0.490 168 G N 0.918 109.723 108.800 0.009 0.000 2.617 168 G HA2 -0.049 3.915 3.960 0.007 0.000 0.686 168 G HA3 -0.049 3.915 3.960 0.007 0.000 0.686 168 G C -2.657 172.117 174.900 -0.210 0.000 1.214 168 G CA -1.020 44.028 45.100 -0.087 0.000 0.796 168 G HN -0.002 nan 8.290 nan 0.000 0.654 169 P HA -0.044 nan 4.420 nan 0.000 0.218 169 P C 1.472 178.694 177.300 -0.130 0.000 1.148 169 P CA 1.785 64.721 63.100 -0.273 0.000 0.822 169 P CB 0.051 31.544 31.700 -0.344 0.000 0.784 170 D N -0.998 119.343 120.400 -0.098 0.000 2.371 170 D HA -0.117 4.528 4.640 0.007 0.000 0.221 170 D C 0.939 177.217 176.300 -0.036 0.000 0.986 170 D CA 0.718 54.685 54.000 -0.055 0.000 0.899 170 D CB -0.543 40.235 40.800 -0.036 0.000 0.902 170 D HN 0.202 nan 8.370 nan 0.000 0.530 171 R N -0.168 120.312 120.500 -0.035 0.000 2.700 171 R HA 0.666 5.011 4.340 0.007 0.000 0.399 171 R C -0.351 175.944 176.300 -0.008 0.000 1.115 171 R CA -0.125 55.966 56.100 -0.015 0.000 1.058 171 R CB 1.360 31.657 30.300 -0.005 0.000 1.389 171 R HN 0.151 nan 8.270 nan 0.000 0.582 172 A N 0.538 123.352 122.820 -0.011 0.000 2.586 172 A HA 0.506 4.830 4.320 0.007 0.000 0.291 172 A C -2.888 174.710 177.584 0.024 0.000 1.062 172 A CA -1.556 50.487 52.037 0.010 0.000 0.666 172 A CB 1.083 20.089 19.000 0.010 0.000 1.281 172 A HN -0.072 nan 8.150 nan 0.000 0.421 173 P HA 0.132 nan 4.420 nan 0.000 0.263 173 P C 0.490 177.849 177.300 0.097 0.000 1.247 173 P CA 0.439 63.586 63.100 0.077 0.000 0.876 173 P CB 0.510 32.270 31.700 0.099 0.000 0.928 174 S N 2.395 118.115 115.700 0.034 0.000 2.685 174 S HA 0.358 4.832 4.470 0.007 0.000 0.240 174 S C 1.305 175.772 174.600 -0.223 0.000 0.967 174 S CA -0.062 58.132 58.200 -0.009 0.000 1.009 174 S CB -1.098 62.067 63.200 -0.058 0.000 0.776 174 S HN 0.603 nan 8.310 nan 0.000 0.467 175 G N 2.009 110.607 108.800 -0.338 0.000 2.634 175 G HA2 -0.367 3.597 3.960 0.007 0.000 0.309 175 G HA3 -0.367 3.597 3.960 0.007 0.000 0.309 175 G C 0.420 175.076 174.900 -0.407 0.000 1.265 175 G CA 0.476 45.197 45.100 -0.631 0.000 0.998 175 G HN 0.634 nan 8.290 nan 0.000 0.551 176 W N 0.845 122.018 121.300 -0.212 0.000 2.632 176 W HA 0.259 4.924 4.660 0.007 0.000 0.248 176 W C 2.462 178.911 176.519 -0.116 0.000 1.259 176 W CA 0.421 57.702 57.345 -0.106 0.000 1.288 176 W CB -0.223 29.209 29.460 -0.047 0.000 1.136 176 W HN 0.272 nan 8.180 nan 0.000 0.640 177 L N 0.296 121.526 121.223 0.012 0.000 2.478 177 L HA -0.000 4.344 4.340 0.007 0.000 0.223 177 L C 0.922 177.770 176.870 -0.036 0.000 1.140 177 L CA 0.353 55.154 54.840 -0.066 0.000 0.842 177 L CB -0.648 41.324 42.059 -0.146 0.000 0.953 177 L HN -0.109 nan 8.230 nan 0.000 0.452 178 N N 1.039 119.731 118.700 -0.013 0.000 2.457 178 N HA 0.007 4.751 4.740 0.007 0.000 0.250 178 N C 1.030 176.577 175.510 0.063 0.000 0.982 178 N CA -0.197 52.857 53.050 0.007 0.000 0.941 178 N CB 1.154 39.647 38.487 0.010 0.000 1.120 178 N HN 0.252 nan 8.380 nan 0.000 0.505 179 E N 2.126 122.359 120.200 0.054 0.000 2.267 179 E HA -0.194 4.160 4.350 0.007 0.000 0.197 179 E C 0.268 176.947 176.600 0.131 0.000 0.998 179 E CA 0.984 57.437 56.400 0.088 0.000 0.830 179 E CB 0.060 29.788 29.700 0.048 0.000 0.751 179 E HN 0.482 nan 8.360 nan 0.000 0.491 180 E N 1.148 121.420 120.200 0.121 0.000 2.333 180 E HA -0.129 4.225 4.350 0.007 0.000 0.198 180 E C 2.196 178.984 176.600 0.313 0.000 1.007 180 E CA 1.202 57.715 56.400 0.188 0.000 0.845 180 E CB -0.101 29.674 29.700 0.126 0.000 0.766 180 E HN 0.502 nan 8.360 nan 0.000 0.507 181 S N -0.064 115.794 115.700 0.263 0.000 2.419 181 S HA -0.115 4.360 4.470 0.007 0.000 0.233 181 S C 2.180 177.041 174.600 0.436 0.000 1.016 181 S CA 1.043 59.399 58.200 0.259 0.000 0.974 181 S CB -0.517 62.675 63.200 -0.013 0.000 0.786 181 S HN 0.058 nan 8.310 nan 0.000 0.492 182 V N 1.739 121.884 119.914 0.384 0.000 2.261 182 V HA -0.137 3.987 4.120 0.007 0.000 0.246 182 V C 2.686 178.985 176.094 0.342 0.000 1.047 182 V CA 1.728 64.257 62.300 0.382 0.000 1.015 182 V CB -0.873 31.096 31.823 0.244 0.000 0.642 182 V HN 0.471 nan 8.190 nan 0.000 0.446 183 V N -0.130 119.949 119.914 0.275 0.000 2.295 183 V HA -0.199 3.925 4.120 0.007 0.000 0.246 183 V C 2.612 178.867 176.094 0.269 0.000 1.049 183 V CA 1.845 64.280 62.300 0.225 0.000 1.024 183 V CB -0.704 31.234 31.823 0.192 0.000 0.648 183 V HN 0.530 nan 8.190 nan 0.000 0.447 184 E N -0.398 120.040 120.200 0.397 0.000 2.110 184 E HA -0.193 4.161 4.350 0.007 0.000 0.193 184 E C 1.973 178.864 176.600 0.485 0.000 0.988 184 E CA 1.185 57.879 56.400 0.490 0.000 0.804 184 E CB -0.473 29.640 29.700 0.687 0.000 0.745 184 E HN 0.611 nan 8.360 nan 0.000 0.458 185 F N 1.548 121.660 119.950 0.270 0.000 2.186 185 F HA -0.068 4.463 4.527 0.007 0.000 0.299 185 F C 2.193 177.992 175.800 -0.002 0.000 1.090 185 F CA 1.117 59.046 58.000 -0.118 0.000 1.307 185 F CB -0.364 38.693 39.000 0.095 0.000 1.019 185 F HN -0.016 nan 8.300 nan 0.000 0.489 186 A N 0.122 122.971 122.820 0.048 0.000 1.933 186 A HA -0.199 4.125 4.320 0.007 0.000 0.218 186 A C 2.240 179.762 177.584 -0.103 0.000 1.175 186 A CA 1.840 53.834 52.037 -0.071 0.000 0.628 186 A CB -0.600 18.413 19.000 0.021 0.000 0.814 186 A HN 0.437 nan 8.150 nan 0.000 0.444 187 K N -1.692 118.698 120.400 -0.017 0.000 2.057 187 K HA -0.119 4.205 4.320 0.007 0.000 0.206 187 K C 1.966 178.566 176.600 0.001 0.000 1.050 187 K CA 1.531 57.805 56.287 -0.021 0.000 0.935 187 K CB -0.377 32.113 32.500 -0.016 0.000 0.715 187 K HN 0.595 nan 8.250 nan 0.000 0.439 188 Y N 1.485 121.697 120.300 -0.146 0.000 2.224 188 Y HA -0.183 4.372 4.550 0.008 0.000 0.289 188 Y C 2.066 177.877 175.900 -0.148 0.000 1.146 188 Y CA 1.102 59.169 58.100 -0.055 0.000 1.182 188 Y CB -0.474 37.685 38.460 -0.501 0.000 0.983 188 Y HN 0.025 nan 8.280 nan 0.000 0.524 189 A N 0.773 123.241 122.820 -0.586 0.000 1.873 189 A HA -0.054 4.270 4.320 0.007 0.000 0.215 189 A C 2.491 179.802 177.584 -0.455 0.000 1.186 189 A CA 1.956 53.594 52.037 -0.666 0.000 0.616 189 A CB -1.548 17.072 19.000 -0.634 0.000 0.823 189 A HN 0.611 nan 8.150 nan 0.000 0.442 190 A N -1.384 121.250 122.820 -0.309 0.000 1.883 190 A HA -0.157 4.168 4.320 0.007 0.000 0.217 190 A C 2.167 179.491 177.584 -0.434 0.000 1.186 190 A CA 1.815 53.644 52.037 -0.346 0.000 0.624 190 A CB -0.927 17.948 19.000 -0.208 0.000 0.822 190 A HN 0.744 nan 8.150 nan 0.000 0.444 191 Y N 0.632 120.768 120.300 -0.273 0.000 2.128 191 Y HA -0.218 4.337 4.550 0.008 0.000 0.284 191 Y C 2.056 177.995 175.900 0.064 0.000 1.154 191 Y CA 1.687 59.768 58.100 -0.032 0.000 1.149 191 Y CB -0.134 38.461 38.460 0.226 0.000 0.976 191 Y HN 0.249 nan 8.280 nan 0.000 0.505 192 I N 0.234 120.678 120.570 -0.212 0.000 2.252 192 I HA -0.247 3.927 4.170 0.007 0.000 0.245 192 I C 2.667 178.689 176.117 -0.159 0.000 1.102 192 I CA 1.417 62.577 61.300 -0.232 0.000 1.385 192 I CB -1.991 35.849 38.000 -0.266 0.000 1.064 192 I HN 0.347 nan 8.210 nan 0.000 0.414 193 A N 1.426 124.047 122.820 -0.333 0.000 1.883 193 A HA -0.242 4.082 4.320 0.007 0.000 0.217 193 A C 2.275 179.817 177.584 -0.070 0.000 1.186 193 A CA 1.772 53.582 52.037 -0.378 0.000 0.624 193 A CB -1.217 17.462 19.000 -0.535 0.000 0.822 193 A HN 0.701 nan 8.150 nan 0.000 0.444 194 W N 0.362 121.399 121.300 -0.439 0.000 2.381 194 W HA -0.061 4.604 4.660 0.008 0.000 0.301 194 W C 1.483 177.872 176.519 -0.216 0.000 1.205 194 W CA 1.744 58.890 57.345 -0.331 0.000 1.285 194 W CB -0.414 28.651 29.460 -0.658 0.000 1.133 194 W HN 0.148 nan 8.180 nan 0.000 0.521 195 K N 0.761 120.726 120.400 -0.725 0.000 2.076 195 K HA -0.006 4.319 4.320 0.007 0.000 0.204 195 K C 1.861 178.242 176.600 -0.366 0.000 1.051 195 K CA 1.484 57.301 56.287 -0.783 0.000 0.949 195 K CB -0.366 31.713 32.500 -0.702 0.000 0.726 195 K HN 0.320 nan 8.250 nan 0.000 0.443 196 M N -0.882 118.636 119.600 -0.137 0.000 2.412 196 M HA 0.172 4.657 4.480 0.007 0.000 0.315 196 M C 1.475 177.839 176.300 0.106 0.000 1.092 196 M CA -0.077 55.224 55.300 0.001 0.000 0.974 196 M CB 0.959 33.602 32.600 0.072 0.000 1.437 196 M HN -0.017 nan 8.290 nan 0.000 0.524 197 G N 1.274 110.192 108.800 0.197 0.000 2.485 197 G HA2 -0.207 3.758 3.960 0.007 0.000 0.221 197 G HA3 -0.207 3.758 3.960 0.007 0.000 0.221 197 G C 1.302 176.289 174.900 0.145 0.000 1.115 197 G CA 0.953 46.280 45.100 0.379 0.000 0.751 197 G HN 0.529 nan 8.290 nan 0.000 0.567 198 E N -0.285 119.931 120.200 0.027 0.000 2.285 198 E HA 0.090 4.444 4.350 0.007 0.000 0.194 198 E C 2.439 179.001 176.600 -0.063 0.000 0.997 198 E CA -0.074 56.316 56.400 -0.017 0.000 0.845 198 E CB -0.030 29.651 29.700 -0.033 0.000 0.782 198 E HN 0.420 nan 8.360 nan 0.000 0.491 199 L N 1.527 122.699 121.223 -0.085 0.000 1.988 199 L HA -0.010 4.335 4.340 0.007 0.000 0.207 199 L C -1.122 175.636 176.870 -0.187 0.000 1.071 199 L CA 0.499 55.277 54.840 -0.103 0.000 0.744 199 L CB -1.574 40.459 42.059 -0.043 0.000 0.893 199 L HN 0.106 nan 8.230 nan 0.000 0.433 200 P HA 0.013 nan 4.420 nan 0.000 0.276 200 P C 0.575 177.655 177.300 -0.367 0.000 1.244 200 P CA 0.139 62.970 63.100 -0.448 0.000 0.801 200 P CB 1.733 32.946 31.700 -0.813 0.000 1.006 201 V N -1.664 118.065 119.914 -0.308 0.000 3.174 201 V HA 0.251 4.375 4.120 0.007 0.000 0.254 201 V C 0.940 176.883 176.094 -0.251 0.000 1.120 201 V CA 0.808 62.969 62.300 -0.232 0.000 1.114 201 V CB -0.843 30.861 31.823 -0.198 0.000 0.756 201 V HN 0.382 nan 8.190 nan 0.000 0.467 202 M N -1.502 117.895 119.600 -0.338 0.000 2.578 202 M HA 0.554 5.039 4.480 0.007 0.000 0.276 202 M C -1.961 174.237 176.300 -0.171 0.000 1.245 202 M CA -0.269 54.901 55.300 -0.217 0.000 0.871 202 M CB 2.462 34.804 32.600 -0.430 0.000 1.722 202 M HN 0.111 nan 8.290 nan 0.000 0.473 203 W N -0.105 121.352 121.300 0.262 0.000 2.719 203 W HA 0.768 5.432 4.660 0.008 0.000 0.352 203 W C -0.239 176.567 176.519 0.479 0.000 1.085 203 W CA -0.550 56.962 57.345 0.279 0.000 1.187 203 W CB 1.694 31.244 29.460 0.149 0.000 1.417 203 W HN 0.525 nan 8.180 nan 0.000 0.557 204 S N -0.150 115.915 115.700 0.608 0.000 2.614 204 S HA 0.284 4.758 4.470 0.007 0.000 0.288 204 S C 0.695 175.537 174.600 0.402 0.000 1.137 204 S CA -0.077 58.370 58.200 0.411 0.000 0.992 204 S CB 0.977 64.388 63.200 0.352 0.000 1.026 204 S HN 0.580 nan 8.310 nan 0.000 0.486 205 T N 2.337 117.130 114.554 0.399 0.000 2.812 205 T HA 0.171 4.525 4.350 0.007 0.000 0.264 205 T C 0.874 175.932 174.700 0.597 0.000 1.042 205 T CA 0.967 63.367 62.100 0.500 0.000 1.140 205 T CB -0.519 68.718 68.868 0.614 0.000 0.870 205 T HN 0.789 nan 8.240 nan 0.000 0.445 206 M N -0.345 119.514 119.600 0.431 0.000 2.644 206 M HA 0.605 5.089 4.480 0.007 0.000 0.273 206 M C -1.889 174.507 176.300 0.159 0.000 1.253 206 M CA -1.091 54.451 55.300 0.405 0.000 0.852 206 M CB 1.940 34.802 32.600 0.436 0.000 1.708 206 M HN -0.070 nan 8.290 nan 0.000 0.471 207 N N 0.642 119.368 118.700 0.043 0.000 2.417 207 N HA 0.289 5.033 4.740 0.007 0.000 0.274 207 N C -1.131 174.303 175.510 -0.127 0.000 0.987 207 N CA -0.044 52.882 53.050 -0.207 0.000 0.912 207 N CB 1.025 39.074 38.487 -0.731 0.000 1.177 207 N HN 0.819 nan 8.380 nan 0.000 0.490 208 E N 2.047 122.133 120.200 -0.190 0.000 2.160 208 E HA -0.189 4.166 4.350 0.007 0.000 0.180 208 E C -1.721 174.711 176.600 -0.281 0.000 1.452 208 E CA 0.084 56.298 56.400 -0.310 0.000 0.683 208 E CB -0.628 28.977 29.700 -0.158 0.000 1.072 208 E HN 0.680 nan 8.360 nan 0.000 0.332 209 P HA -0.256 nan 4.420 nan 0.000 0.218 209 P C 1.156 178.072 177.300 -0.641 0.000 1.148 209 P CA 1.657 64.563 63.100 -0.323 0.000 0.822 209 P CB -0.017 31.478 31.700 -0.342 0.000 0.784 210 N N 0.718 118.896 118.700 -0.871 0.000 2.149 210 N HA -0.105 4.639 4.740 0.007 0.000 0.188 210 N C 1.718 176.484 175.510 -1.240 0.000 1.019 210 N CA 1.247 53.509 53.050 -1.313 0.000 0.857 210 N CB -1.694 36.340 38.487 -0.756 0.000 0.997 210 N HN 0.065 nan 8.380 nan 0.000 0.426 211 V N 1.107 120.496 119.914 -0.874 0.000 2.407 211 V HA -0.160 3.965 4.120 0.007 0.000 0.248 211 V C 2.724 178.277 176.094 -0.903 0.000 1.055 211 V CA 1.003 62.815 62.300 -0.813 0.000 1.049 211 V CB -0.442 30.971 31.823 -0.684 0.000 0.662 211 V HN 0.121 nan 8.190 nan 0.000 0.455 212 V N 0.612 120.020 119.914 -0.844 0.000 2.255 212 V HA -0.303 3.822 4.120 0.007 0.000 0.247 212 V C 2.360 178.263 176.094 -0.318 0.000 1.051 212 V CA 2.828 64.783 62.300 -0.574 0.000 1.018 212 V CB -0.938 30.719 31.823 -0.277 0.000 0.641 212 V HN 0.801 nan 8.190 nan 0.000 0.445 213 Y N 0.426 120.631 120.300 -0.158 0.000 2.395 213 Y HA 0.079 4.634 4.550 0.007 0.000 0.293 213 Y C 2.186 178.038 175.900 -0.079 0.000 1.123 213 Y CA 0.879 58.993 58.100 0.023 0.000 1.227 213 Y CB -0.961 37.533 38.460 0.056 0.000 1.012 213 Y HN 0.279 nan 8.280 nan 0.000 0.552 214 E N 0.317 120.356 120.200 -0.267 0.000 2.046 214 E HA -0.158 4.197 4.350 0.007 0.000 0.190 214 E C 2.123 178.484 176.600 -0.397 0.000 0.982 214 E CA 1.144 57.363 56.400 -0.302 0.000 0.800 214 E CB -0.057 29.447 29.700 -0.328 0.000 0.756 214 E HN 0.472 nan 8.360 nan 0.000 0.449 215 Q N -0.269 119.255 119.800 -0.459 0.000 2.083 215 Q HA -0.057 4.287 4.340 0.007 0.000 0.198 215 Q C 2.311 178.101 176.000 -0.350 0.000 0.969 215 Q CA 1.419 56.922 55.803 -0.501 0.000 0.838 215 Q CB -0.484 27.508 28.738 -1.243 0.000 0.900 215 Q HN 0.344 nan 8.270 nan 0.000 0.436 216 G N -1.062 107.503 108.800 -0.393 0.000 2.448 216 G HA2 -0.181 3.784 3.960 0.007 0.000 0.218 216 G HA3 -0.181 3.784 3.960 0.007 0.000 0.218 216 G C 0.552 175.020 174.900 -0.719 0.000 1.135 216 G CA 0.524 45.279 45.100 -0.575 0.000 0.784 216 G HN 0.330 nan 8.290 nan 0.000 0.543 217 Y N -1.649 118.606 120.300 -0.075 0.000 2.563 217 Y HA 0.511 5.065 4.550 0.007 0.000 0.250 217 Y C 1.980 177.791 175.900 -0.148 0.000 1.126 217 Y CA -0.315 57.756 58.100 -0.048 0.000 1.231 217 Y CB 0.554 39.017 38.460 0.005 0.000 1.288 217 Y HN 0.059 nan 8.280 nan 0.000 0.537 218 M N -2.244 117.246 119.600 -0.182 0.000 2.741 218 M HA 0.247 4.731 4.480 0.007 0.000 0.211 218 M C -0.154 175.949 176.300 -0.329 0.000 1.811 218 M CA 0.528 55.597 55.300 -0.384 0.000 1.185 218 M CB 0.428 32.551 32.600 -0.794 0.000 1.320 218 M HN -0.068 nan 8.290 nan 0.000 0.583 219 F N 2.606 122.507 119.950 -0.082 0.000 2.752 219 F HA 0.132 4.663 4.527 0.007 0.000 0.332 219 F C 1.611 177.371 175.800 -0.066 0.000 1.188 219 F CA -0.813 57.136 58.000 -0.086 0.000 1.296 219 F CB -0.314 38.597 39.000 -0.148 0.000 1.526 219 F HN 0.009 nan 8.300 nan 0.000 0.576 220 V N -1.823 118.143 119.914 0.087 0.000 2.660 220 V HA -0.266 3.858 4.120 0.007 0.000 0.257 220 V C 1.831 178.009 176.094 0.139 0.000 1.088 220 V CA 1.485 63.836 62.300 0.084 0.000 1.106 220 V CB -0.584 31.274 31.823 0.058 0.000 0.686 220 V HN 0.510 nan 8.190 nan 0.000 0.481 221 K N 1.234 121.717 120.400 0.140 0.000 2.504 221 K HA 0.103 4.427 4.320 0.007 0.000 0.195 221 K C 1.983 178.685 176.600 0.170 0.000 1.036 221 K CA 0.880 57.249 56.287 0.137 0.000 0.984 221 K CB -0.293 32.275 32.500 0.112 0.000 0.788 221 K HN 0.651 nan 8.250 nan 0.000 0.488 222 G N 0.648 109.561 108.800 0.188 0.000 2.813 222 G HA2 0.027 3.992 3.960 0.007 0.000 0.209 222 G HA3 0.027 3.992 3.960 0.007 0.000 0.209 222 G C 0.923 176.075 174.900 0.419 0.000 1.150 222 G CA 0.378 45.625 45.100 0.246 0.000 0.785 222 G HN 0.363 nan 8.290 nan 0.000 0.535 223 G N -1.088 107.948 108.800 0.394 0.000 2.147 223 G HA2 -0.265 3.699 3.960 0.007 0.000 0.244 223 G HA3 -0.265 3.699 3.960 0.007 0.000 0.244 223 G C 0.012 175.275 174.900 0.606 0.000 1.005 223 G CA -0.115 45.288 45.100 0.505 0.000 0.713 223 G HN 0.244 nan 8.290 nan 0.000 0.515 224 F N 1.898 121.869 119.950 0.035 0.000 2.385 224 F HA 0.526 5.058 4.527 0.007 0.000 0.336 224 F C -1.129 174.035 175.800 -1.060 0.000 1.100 224 F CA -2.648 55.089 58.000 -0.438 0.000 1.116 224 F CB 1.507 40.318 39.000 -0.315 0.000 1.166 224 F HN -0.094 nan 8.300 nan 0.000 0.511 225 P HA 0.116 nan 4.420 nan 0.000 0.275 225 P C -2.458 174.270 177.300 -0.954 0.000 1.228 225 P CA -1.334 60.463 63.100 -2.171 0.000 0.786 225 P CB 1.220 31.701 31.700 -2.032 0.000 0.927 226 P HA 0.062 nan 4.420 nan 0.000 0.262 226 P C 0.801 177.965 177.300 -0.227 0.000 1.304 226 P CA 0.371 63.150 63.100 -0.536 0.000 0.859 226 P CB -0.257 31.418 31.700 -0.041 0.000 1.310 227 G N 0.643 109.273 108.800 -0.284 0.000 2.323 227 G HA2 -0.301 3.664 3.960 0.007 0.000 0.292 227 G HA3 -0.301 3.664 3.960 0.007 0.000 0.292 227 G C -0.542 174.442 174.900 0.139 0.000 1.040 227 G CA -0.004 45.123 45.100 0.045 0.000 0.942 227 G HN 0.519 nan 8.290 nan 0.000 0.506 228 Y N 0.272 120.560 120.300 -0.020 0.000 2.593 228 Y HA 0.568 5.123 4.550 0.007 0.000 0.331 228 Y C 0.508 176.495 175.900 0.146 0.000 0.986 228 Y CA -1.657 56.508 58.100 0.108 0.000 1.262 228 Y CB 0.565 39.142 38.460 0.195 0.000 1.098 228 Y HN 0.266 nan 8.280 nan 0.000 0.506 229 L N 5.718 126.817 121.223 -0.207 0.000 2.597 229 L HA 0.272 4.616 4.340 0.007 0.000 0.271 229 L C -0.363 176.356 176.870 -0.253 0.000 1.157 229 L CA 0.780 55.520 54.840 -0.167 0.000 0.928 229 L CB -0.158 41.822 42.059 -0.133 0.000 1.216 229 L HN 0.623 nan 8.230 nan 0.000 0.481 230 S N 4.422 120.079 115.700 -0.072 0.000 2.511 230 S HA 0.281 4.756 4.470 0.007 0.000 0.283 230 S C 0.646 175.234 174.600 -0.020 0.000 1.078 230 S CA -0.741 57.430 58.200 -0.049 0.000 0.994 230 S CB 0.111 63.330 63.200 0.031 0.000 1.171 230 S HN 0.622 nan 8.310 nan 0.000 0.444 231 L N 3.517 124.707 121.223 -0.054 0.000 2.083 231 L HA -0.025 4.320 4.340 0.007 0.000 0.209 231 L C 2.622 179.436 176.870 -0.093 0.000 1.083 231 L CA 1.642 56.437 54.840 -0.075 0.000 0.752 231 L CB -0.311 41.704 42.059 -0.072 0.000 0.899 231 L HN 0.803 nan 8.230 nan 0.000 0.433 232 E N 0.732 120.887 120.200 -0.075 0.000 2.077 232 E HA -0.254 4.101 4.350 0.007 0.000 0.193 232 E C 2.245 178.764 176.600 -0.135 0.000 0.989 232 E CA 1.305 57.653 56.400 -0.088 0.000 0.800 232 E CB 0.015 29.685 29.700 -0.050 0.000 0.746 232 E HN 0.463 nan 8.360 nan 0.000 0.452 233 A N 1.094 123.833 122.820 -0.136 0.000 1.930 233 A HA -0.045 4.279 4.320 0.007 0.000 0.217 233 A C 2.382 179.661 177.584 -0.508 0.000 1.175 233 A CA 1.622 53.463 52.037 -0.326 0.000 0.627 233 A CB -0.704 18.131 19.000 -0.274 0.000 0.815 233 A HN 0.416 nan 8.150 nan 0.000 0.443 234 A N 0.336 122.984 122.820 -0.287 0.000 1.883 234 A HA -0.218 4.106 4.320 0.007 0.000 0.217 234 A C 1.781 179.177 177.584 -0.312 0.000 1.186 234 A CA 1.919 53.852 52.037 -0.173 0.000 0.624 234 A CB -0.635 18.344 19.000 -0.035 0.000 0.822 234 A HN 0.473 nan 8.150 nan 0.000 0.444 235 D N -0.618 119.614 120.400 -0.280 0.000 2.144 235 D HA -0.141 4.503 4.640 0.007 0.000 0.199 235 D C 1.885 178.012 176.300 -0.288 0.000 0.984 235 D CA 1.530 55.346 54.000 -0.307 0.000 0.834 235 D CB -0.234 40.428 40.800 -0.230 0.000 0.955 235 D HN 0.599 nan 8.370 nan 0.000 0.465 236 K N 0.801 121.052 120.400 -0.249 0.000 2.002 236 K HA -0.102 4.222 4.320 0.007 0.000 0.209 236 K C 2.085 178.566 176.600 -0.198 0.000 1.048 236 K CA 1.312 57.478 56.287 -0.200 0.000 0.930 236 K CB -0.054 32.333 32.500 -0.189 0.000 0.714 236 K HN 0.002 nan 8.250 nan 0.000 0.438 237 A N 1.777 124.449 122.820 -0.247 0.000 1.908 237 A HA -0.215 4.109 4.320 0.007 0.000 0.218 237 A C 2.184 179.648 177.584 -0.200 0.000 1.181 237 A CA 1.681 53.645 52.037 -0.122 0.000 0.627 237 A CB -0.688 18.293 19.000 -0.032 0.000 0.818 237 A HN 0.393 nan 8.150 nan 0.000 0.445 238 R N -0.237 119.979 120.500 -0.473 0.000 2.073 238 R HA -0.181 4.164 4.340 0.007 0.000 0.234 238 R C 2.446 178.561 176.300 -0.309 0.000 1.134 238 R CA 1.809 57.522 56.100 -0.645 0.000 0.952 238 R CB -0.396 29.256 30.300 -1.081 0.000 0.850 238 R HN 0.594 nan 8.270 nan 0.000 0.433 239 R N 0.284 120.630 120.500 -0.257 0.000 2.083 239 R HA -0.124 4.220 4.340 0.007 0.000 0.237 239 R C 1.710 177.922 176.300 -0.146 0.000 1.137 239 R CA 2.050 58.040 56.100 -0.183 0.000 0.951 239 R CB -0.257 29.960 30.300 -0.137 0.000 0.851 239 R HN 0.297 nan 8.270 nan 0.000 0.434 240 N N 0.183 118.829 118.700 -0.090 0.000 2.331 240 N HA -0.115 4.630 4.740 0.007 0.000 0.180 240 N C 1.685 177.161 175.510 -0.057 0.000 1.019 240 N CA 1.284 54.335 53.050 0.002 0.000 0.881 240 N CB -0.084 38.481 38.487 0.132 0.000 0.972 240 N HN 0.370 nan 8.380 nan 0.000 0.435 241 M N 0.057 119.524 119.600 -0.222 0.000 2.254 241 M HA 0.040 4.525 4.480 0.007 0.000 0.265 241 M C 1.814 178.029 176.300 -0.142 0.000 1.066 241 M CA 0.887 55.945 55.300 -0.403 0.000 1.123 241 M CB -0.032 32.315 32.600 -0.421 0.000 1.388 241 M HN 0.036 nan 8.290 nan 0.000 0.425 242 I N -0.100 120.308 120.570 -0.269 0.000 2.252 242 I HA -0.303 3.871 4.170 0.007 0.000 0.245 242 I C 2.402 178.428 176.117 -0.152 0.000 1.102 242 I CA 1.367 62.392 61.300 -0.457 0.000 1.385 242 I CB -0.387 37.198 38.000 -0.691 0.000 1.064 242 I HN 0.385 nan 8.210 nan 0.000 0.414 243 Q N 0.609 120.348 119.800 -0.101 0.000 2.046 243 Q HA -0.165 4.179 4.340 0.007 0.000 0.200 243 Q C 2.518 178.563 176.000 0.074 0.000 0.975 243 Q CA 1.629 57.420 55.803 -0.021 0.000 0.836 243 Q CB -0.282 28.455 28.738 -0.002 0.000 0.896 243 Q HN 0.557 nan 8.270 nan 0.000 0.428 244 A N 0.871 123.767 122.820 0.127 0.000 1.917 244 A HA -0.288 4.036 4.320 0.007 0.000 0.219 244 A C 1.821 179.630 177.584 0.376 0.000 1.182 244 A CA 2.112 54.331 52.037 0.304 0.000 0.633 244 A CB -0.878 18.252 19.000 0.216 0.000 0.819 244 A HN 0.514 nan 8.150 nan 0.000 0.448 245 H N -0.084 119.095 119.070 0.182 0.000 2.293 245 H HA 0.040 4.600 4.556 0.007 0.000 0.300 245 H C 2.171 177.602 175.328 0.172 0.000 1.082 245 H CA 2.202 58.389 56.048 0.232 0.000 1.308 245 H CB -0.432 29.438 29.762 0.180 0.000 1.375 245 H HN 0.362 nan 8.280 nan 0.000 0.495 246 A N 0.504 123.273 122.820 -0.085 0.000 1.883 246 A HA -0.200 4.124 4.320 0.007 0.000 0.217 246 A C 2.442 179.972 177.584 -0.091 0.000 1.186 246 A CA 1.956 53.892 52.037 -0.168 0.000 0.624 246 A CB -0.537 18.404 19.000 -0.098 0.000 0.822 246 A HN 0.397 nan 8.150 nan 0.000 0.444 247 R N -0.417 120.070 120.500 -0.022 0.000 2.092 247 R HA 0.070 4.415 4.340 0.007 0.000 0.231 247 R C 2.336 178.613 176.300 -0.038 0.000 1.119 247 R CA 1.441 57.525 56.100 -0.027 0.000 0.970 247 R CB -0.777 29.538 30.300 0.025 0.000 0.864 247 R HN 0.491 nan 8.270 nan 0.000 0.440 248 A N -0.707 122.112 122.820 -0.002 0.000 1.933 248 A HA -0.208 4.117 4.320 0.007 0.000 0.218 248 A C 2.026 179.534 177.584 -0.127 0.000 1.175 248 A CA 1.401 53.372 52.037 -0.110 0.000 0.628 248 A CB -0.832 18.141 19.000 -0.044 0.000 0.814 248 A HN 0.478 nan 8.150 nan 0.000 0.444 249 Y N 1.418 121.562 120.300 -0.260 0.000 2.097 249 Y HA -0.260 4.294 4.550 0.007 0.000 0.282 249 Y C 1.958 177.753 175.900 -0.175 0.000 1.152 249 Y CA 2.164 60.116 58.100 -0.246 0.000 1.136 249 Y CB -0.273 37.987 38.460 -0.335 0.000 0.975 249 Y HN 0.371 nan 8.280 nan 0.000 0.498 250 D N -0.081 120.391 120.400 0.120 0.000 2.104 250 D HA -0.221 4.424 4.640 0.007 0.000 0.194 250 D C 1.719 177.978 176.300 -0.068 0.000 0.994 250 D CA 1.582 55.605 54.000 0.037 0.000 0.830 250 D CB -0.521 40.256 40.800 -0.038 0.000 0.959 250 D HN 0.480 nan 8.370 nan 0.000 0.452 251 N N 0.395 119.042 118.700 -0.089 0.000 2.396 251 N HA -0.020 4.725 4.740 0.007 0.000 0.180 251 N C 2.016 177.506 175.510 -0.035 0.000 1.028 251 N CA 0.240 53.269 53.050 -0.036 0.000 0.893 251 N CB 0.271 38.723 38.487 -0.059 0.000 0.967 251 N HN 0.303 nan 8.380 nan 0.000 0.440 252 I N 1.088 121.517 120.570 -0.236 0.000 2.333 252 I HA -0.139 4.035 4.170 0.007 0.000 0.246 252 I C 1.995 177.931 176.117 -0.301 0.000 1.106 252 I CA 0.700 61.746 61.300 -0.422 0.000 1.411 252 I CB -0.045 37.513 38.000 -0.736 0.000 1.082 252 I HN -0.108 nan 8.210 nan 0.000 0.420 253 K N 0.898 121.117 120.400 -0.302 0.000 2.211 253 K HA -0.197 4.128 4.320 0.007 0.000 0.204 253 K C 2.054 178.568 176.600 -0.143 0.000 1.047 253 K CA 1.122 57.273 56.287 -0.227 0.000 0.935 253 K CB -0.479 31.877 32.500 -0.240 0.000 0.728 253 K HN 0.307 nan 8.250 nan 0.000 0.452 254 R N -0.428 119.987 120.500 -0.142 0.000 2.115 254 R HA -0.067 4.277 4.340 0.007 0.000 0.230 254 R C 1.189 177.184 176.300 -0.508 0.000 1.111 254 R CA 1.212 57.122 56.100 -0.316 0.000 0.976 254 R CB 0.071 30.139 30.300 -0.386 0.000 0.870 254 R HN 0.082 nan 8.270 nan 0.000 0.445 255 F N -1.591 118.315 119.950 -0.073 0.000 2.706 255 F HA 0.342 4.873 4.527 0.007 0.000 0.308 255 F C 0.126 175.922 175.800 -0.008 0.000 1.095 255 F CA -0.302 57.693 58.000 -0.009 0.000 1.244 255 F CB 1.036 40.057 39.000 0.036 0.000 1.063 255 F HN -0.179 nan 8.300 nan 0.000 0.582 256 S N 0.379 116.127 115.700 0.079 0.000 2.668 256 S HA 0.329 4.803 4.470 0.007 0.000 0.277 256 S C 0.150 174.784 174.600 0.055 0.000 1.170 256 S CA -0.727 57.544 58.200 0.118 0.000 0.994 256 S CB 0.737 64.077 63.200 0.233 0.000 1.051 256 S HN -0.026 nan 8.310 nan 0.000 0.484 257 K N 3.024 123.472 120.400 0.079 0.000 2.476 257 K HA 0.215 4.539 4.320 0.007 0.000 0.196 257 K C 0.227 176.882 176.600 0.092 0.000 1.025 257 K CA 0.071 56.388 56.287 0.049 0.000 1.138 257 K CB -0.279 32.244 32.500 0.038 0.000 0.860 257 K HN 0.506 nan 8.250 nan 0.000 0.515 258 K N 1.592 122.102 120.400 0.182 0.000 2.138 258 K HA 0.175 4.499 4.320 0.007 0.000 0.251 258 K C -2.481 174.268 176.600 0.249 0.000 1.015 258 K CA -1.848 54.570 56.287 0.219 0.000 0.917 258 K CB -0.042 32.628 32.500 0.284 0.000 1.021 258 K HN -0.186 nan 8.250 nan 0.000 0.485 259 P HA -0.023 nan 4.420 nan 0.000 0.264 259 P C -1.121 176.472 177.300 0.489 0.000 1.193 259 P CA 0.040 63.322 63.100 0.303 0.000 0.763 259 P CB 0.531 32.366 31.700 0.225 0.000 0.810 260 V N 3.875 124.034 119.914 0.407 0.000 2.444 260 V HA 0.732 4.856 4.120 0.007 0.000 0.294 260 V C 0.736 177.061 176.094 0.386 0.000 1.022 260 V CA -0.000 62.529 62.300 0.383 0.000 0.850 260 V CB 1.464 33.224 31.823 -0.106 0.000 0.992 260 V HN 0.789 nan 8.190 nan 0.000 0.426 261 G N 3.460 112.359 108.800 0.165 0.000 3.247 261 G HA2 0.834 4.799 3.960 0.007 0.000 0.226 261 G HA3 0.834 4.799 3.960 0.007 0.000 0.226 261 G C -1.471 173.281 174.900 -0.246 0.000 1.220 261 G CA -0.639 44.205 45.100 -0.427 0.000 0.875 261 G HN 0.746 nan 8.290 nan 0.000 0.606 262 L N -0.411 120.472 121.223 -0.567 0.000 2.513 262 L HA 0.669 5.013 4.340 0.007 0.000 0.261 262 L C -1.541 175.122 176.870 -0.344 0.000 0.945 262 L CA -0.899 53.755 54.840 -0.309 0.000 0.848 262 L CB 2.025 43.890 42.059 -0.323 0.000 1.334 262 L HN 0.447 nan 8.230 nan 0.000 0.407 263 I N 4.051 124.527 120.570 -0.156 0.000 2.353 263 I HA 0.355 4.529 4.170 0.007 0.000 0.293 263 I C -1.279 174.830 176.117 -0.012 0.000 0.992 263 I CA -0.395 60.878 61.300 -0.045 0.000 1.268 263 I CB 1.455 39.464 38.000 0.014 0.000 1.387 263 I HN 0.519 nan 8.210 nan 0.000 0.478 264 Y N 4.801 125.026 120.300 -0.125 0.000 2.512 264 Y HA 0.655 5.209 4.550 0.007 0.000 0.348 264 Y C -0.370 175.349 175.900 -0.302 0.000 0.990 264 Y CA -1.061 56.836 58.100 -0.339 0.000 1.033 264 Y CB 1.950 40.070 38.460 -0.567 0.000 1.259 264 Y HN 0.548 nan 8.280 nan 0.000 0.461 265 A N 5.501 127.745 122.820 -0.959 0.000 2.343 265 A HA 0.522 4.847 4.320 0.007 0.000 0.305 265 A C -1.658 175.621 177.584 -0.508 0.000 1.308 265 A CA -0.080 51.631 52.037 -0.544 0.000 0.949 265 A CB -1.022 17.658 19.000 -0.535 0.000 1.148 265 A HN 0.544 nan 8.150 nan 0.000 0.545 266 F N 1.621 121.668 119.950 0.162 0.000 2.411 266 F HA 0.430 4.962 4.527 0.008 0.000 0.352 266 F C 0.380 176.441 175.800 0.435 0.000 1.123 266 F CA -0.391 57.801 58.000 0.320 0.000 1.044 266 F CB 1.920 41.184 39.000 0.438 0.000 1.135 266 F HN 0.516 nan 8.300 nan 0.000 0.461 267 Q N 2.711 122.852 119.800 0.568 0.000 2.222 267 Q HA 0.171 4.515 4.340 0.007 0.000 0.252 267 Q C -0.844 175.674 176.000 0.864 0.000 0.926 267 Q CA -0.479 55.709 55.803 0.641 0.000 0.899 267 Q CB 1.489 30.428 28.738 0.336 0.000 1.250 267 Q HN 0.716 nan 8.270 nan 0.000 0.441 268 W N 4.705 126.450 121.300 0.741 0.000 2.357 268 W HA 0.306 4.971 4.660 0.009 0.000 0.317 268 W C -1.389 175.528 176.519 0.663 0.000 1.101 268 W CA -0.752 56.991 57.345 0.663 0.000 1.380 268 W CB 0.278 30.117 29.460 0.631 0.000 1.266 268 W HN 0.534 nan 8.180 nan 0.000 0.419 269 F N 4.259 124.055 119.950 -0.258 0.000 2.459 269 F HA 0.172 4.703 4.527 0.007 0.000 0.346 269 F C 0.586 176.326 175.800 -0.099 0.000 1.128 269 F CA 0.392 58.368 58.000 -0.040 0.000 1.268 269 F CB 0.672 39.594 39.000 -0.131 0.000 1.161 269 F HN 0.314 nan 8.300 nan 0.000 0.583 270 E N 1.618 122.052 120.200 0.389 0.000 2.407 270 E HA 0.594 4.948 4.350 0.007 0.000 0.279 270 E C -1.406 175.111 176.600 -0.139 0.000 1.012 270 E CA -0.782 55.692 56.400 0.123 0.000 0.800 270 E CB 2.581 32.342 29.700 0.102 0.000 1.276 270 E HN 0.317 nan 8.360 nan 0.000 0.452 271 L N -2.039 118.972 121.223 -0.354 0.000 2.572 271 L HA 0.550 4.894 4.340 0.007 0.000 0.236 271 L C -0.410 176.309 176.870 -0.253 0.000 1.190 271 L CA -0.923 53.665 54.840 -0.419 0.000 1.206 271 L CB -0.831 40.737 42.059 -0.819 0.000 1.619 271 L HN 0.344 nan 8.230 nan 0.000 0.446 272 L N 0.180 121.270 121.223 -0.222 0.000 2.347 272 L HA 0.193 4.537 4.340 0.007 0.000 0.172 272 L C 1.818 178.637 176.870 -0.086 0.000 1.009 272 L CA 0.405 55.168 54.840 -0.128 0.000 0.974 272 L CB -1.137 40.861 42.059 -0.102 0.000 1.427 272 L HN 0.790 nan 8.230 nan 0.000 0.507 273 E N 0.399 120.569 120.200 -0.049 0.000 2.029 273 E HA 0.004 4.359 4.350 0.007 0.000 0.217 273 E C 0.861 177.449 176.600 -0.019 0.000 0.903 273 E CA 0.980 57.369 56.400 -0.019 0.000 1.062 273 E CB -0.318 29.378 29.700 -0.006 0.000 0.908 273 E HN 0.733 nan 8.360 nan 0.000 0.569 274 G N 1.491 110.284 108.800 -0.011 0.000 4.873 274 G HA2 0.138 4.103 3.960 0.007 0.000 0.314 274 G HA3 0.138 4.103 3.960 0.007 0.000 0.314 274 G C -1.456 173.437 174.900 -0.011 0.000 1.426 274 G CA -0.644 44.454 45.100 -0.003 0.000 1.136 274 G HN 0.200 nan 8.290 nan 0.000 0.589 275 P HA 0.099 nan 4.420 nan 0.000 0.213 275 P C 0.756 178.050 177.300 -0.011 0.000 1.170 275 P CA 1.794 64.873 63.100 -0.035 0.000 0.898 275 P CB 0.615 32.269 31.700 -0.076 0.000 0.787 276 A N -1.458 121.363 122.820 0.001 0.000 2.375 276 A HA 0.280 4.605 4.320 0.007 0.000 0.299 276 A C -0.194 177.433 177.584 0.072 0.000 1.044 276 A CA -0.159 51.897 52.037 0.032 0.000 0.585 276 A CB -0.305 18.713 19.000 0.030 0.000 1.438 276 A HN 0.023 nan 8.150 nan 0.000 0.574 277 E N -0.498 119.750 120.200 0.079 0.000 2.501 277 E HA 0.209 4.564 4.350 0.007 0.000 0.201 277 E C 0.919 177.589 176.600 0.117 0.000 1.016 277 E CA 0.691 57.153 56.400 0.103 0.000 0.920 277 E CB 0.609 30.350 29.700 0.068 0.000 1.023 277 E HN 0.659 nan 8.360 nan 0.000 0.474 278 V N 0.596 120.580 119.914 0.115 0.000 2.913 278 V HA -0.145 3.980 4.120 0.007 0.000 0.260 278 V C 1.471 177.677 176.094 0.187 0.000 1.098 278 V CA 1.201 63.568 62.300 0.112 0.000 1.121 278 V CB -0.579 31.289 31.823 0.076 0.000 0.714 278 V HN 0.405 nan 8.190 nan 0.000 0.487 279 F N 1.713 121.684 119.950 0.035 0.000 2.128 279 F HA -0.027 4.504 4.527 0.007 0.000 0.295 279 F C 1.904 177.773 175.800 0.116 0.000 1.100 279 F CA 2.087 60.133 58.000 0.076 0.000 1.260 279 F CB -0.576 38.448 39.000 0.039 0.000 1.009 279 F HN 0.301 nan 8.300 nan 0.000 0.476 280 D N 0.310 120.774 120.400 0.108 0.000 2.133 280 D HA -0.226 4.418 4.640 0.007 0.000 0.192 280 D C 2.172 178.442 176.300 -0.050 0.000 1.001 280 D CA 1.895 55.887 54.000 -0.013 0.000 0.844 280 D CB -0.237 40.587 40.800 0.041 0.000 0.944 280 D HN 0.293 nan 8.370 nan 0.000 0.447 281 K N -0.489 119.920 120.400 0.014 0.000 2.057 281 K HA -0.134 4.191 4.320 0.007 0.000 0.207 281 K C 2.044 178.637 176.600 -0.012 0.000 1.049 281 K CA 0.704 56.998 56.287 0.013 0.000 0.931 281 K CB -0.339 32.189 32.500 0.047 0.000 0.714 281 K HN 0.116 nan 8.250 nan 0.000 0.440 282 F N 2.789 122.640 119.950 -0.165 0.000 2.065 282 F HA -0.249 4.283 4.527 0.008 0.000 0.298 282 F C 1.839 177.419 175.800 -0.366 0.000 1.112 282 F CA 1.696 59.558 58.000 -0.229 0.000 1.212 282 F CB -0.134 38.716 39.000 -0.250 0.000 0.975 282 F HN -0.139 nan 8.300 nan 0.000 0.476 283 K N -0.227 119.785 120.400 -0.646 0.000 2.057 283 K HA -0.134 4.190 4.320 0.007 0.000 0.207 283 K C 2.233 178.498 176.600 -0.559 0.000 1.049 283 K CA 1.654 57.385 56.287 -0.927 0.000 0.931 283 K CB -0.465 31.541 32.500 -0.824 0.000 0.714 283 K HN 0.186 nan 8.250 nan 0.000 0.440 284 S N 0.491 116.058 115.700 -0.221 0.000 2.382 284 S HA -0.142 4.332 4.470 0.007 0.000 0.228 284 S C 2.058 176.644 174.600 -0.023 0.000 1.027 284 S CA 1.421 59.609 58.200 -0.021 0.000 0.991 284 S CB -0.162 63.046 63.200 0.013 0.000 0.823 284 S HN 0.321 nan 8.310 nan 0.000 0.469 285 S N 0.551 116.174 115.700 -0.128 0.000 2.395 285 S HA 0.056 4.530 4.470 0.007 0.000 0.225 285 S C 1.769 176.255 174.600 -0.190 0.000 1.027 285 S CA 1.088 59.219 58.200 -0.115 0.000 0.965 285 S CB -0.014 63.110 63.200 -0.128 0.000 0.812 285 S HN 0.509 nan 8.310 nan 0.000 0.482 286 K N -0.456 119.724 120.400 -0.367 0.000 2.344 286 K HA 0.321 4.645 4.320 0.007 0.000 0.200 286 K C 2.045 178.482 176.600 -0.271 0.000 1.132 286 K CA 0.141 56.239 56.287 -0.314 0.000 0.935 286 K CB -0.178 32.067 32.500 -0.425 0.000 1.089 286 K HN 0.352 nan 8.250 nan 0.000 0.496 287 L N 0.111 120.980 121.223 -0.589 0.000 2.145 287 L HA 0.046 4.390 4.340 0.007 0.000 0.201 287 L C 1.155 177.814 176.870 -0.353 0.000 1.075 287 L CA 1.028 55.486 54.840 -0.636 0.000 0.773 287 L CB 0.076 41.268 42.059 -1.444 0.000 0.936 287 L HN 0.248 nan 8.230 nan 0.000 0.451 288 Y N -2.178 118.089 120.300 -0.054 0.000 2.466 288 Y HA -0.019 4.535 4.550 0.008 0.000 0.272 288 Y C 0.130 176.070 175.900 0.067 0.000 1.169 288 Y CA -0.708 57.436 58.100 0.072 0.000 1.285 288 Y CB 0.096 38.588 38.460 0.055 0.000 1.078 288 Y HN 0.125 nan 8.280 nan 0.000 0.523 289 Y N 0.776 121.112 120.300 0.060 0.000 2.436 289 Y HA 0.226 4.781 4.550 0.008 0.000 0.336 289 Y C 0.253 176.225 175.900 0.119 0.000 1.049 289 Y CA -0.411 57.716 58.100 0.045 0.000 1.294 289 Y CB 0.134 38.588 38.460 -0.011 0.000 1.179 289 Y HN 0.256 nan 8.280 nan 0.000 0.520 290 F N 1.413 121.124 119.950 -0.398 0.000 2.303 290 F HA -0.324 4.207 4.527 0.007 0.000 0.712 290 F C 1.830 177.391 175.800 -0.399 0.000 0.496 290 F CA 1.546 59.356 58.000 -0.317 0.000 1.377 290 F CB -1.232 37.688 39.000 -0.133 0.000 2.153 290 F HN 0.428 nan 8.300 nan 0.000 0.270 291 T N -1.443 113.059 114.554 -0.087 0.000 2.995 291 T HA 0.022 4.376 4.350 0.007 0.000 0.269 291 T C 1.348 175.899 174.700 -0.248 0.000 1.091 291 T CA 1.690 63.620 62.100 -0.283 0.000 1.128 291 T CB -0.301 68.286 68.868 -0.468 0.000 0.891 291 T HN 0.360 nan 8.240 nan 0.000 0.492 292 D N 1.441 121.811 120.400 -0.050 0.000 2.097 292 D HA 0.090 4.734 4.640 0.007 0.000 0.197 292 D C 2.043 178.265 176.300 -0.130 0.000 0.984 292 D CA 0.680 54.705 54.000 0.041 0.000 0.826 292 D CB -0.298 40.502 40.800 -0.000 0.000 0.973 292 D HN 0.402 nan 8.370 nan 0.000 0.460 293 I N 0.786 121.169 120.570 -0.311 0.000 2.179 293 I HA -0.200 3.974 4.170 0.007 0.000 0.242 293 I C 2.240 178.197 176.117 -0.267 0.000 1.088 293 I CA 0.856 61.949 61.300 -0.346 0.000 1.357 293 I CB -0.237 37.438 38.000 -0.542 0.000 1.051 293 I HN -0.026 nan 8.210 nan 0.000 0.409 294 V N -1.897 117.857 119.914 -0.267 0.000 3.444 294 V HA -0.041 4.083 4.120 0.007 0.000 0.271 294 V C 1.887 177.888 176.094 -0.155 0.000 1.188 294 V CA 1.523 63.713 62.300 -0.183 0.000 1.168 294 V CB -0.707 31.021 31.823 -0.158 0.000 0.810 294 V HN 0.513 nan 8.190 nan 0.000 0.500 295 S N -0.102 115.514 115.700 -0.141 0.000 2.807 295 S HA 0.218 4.693 4.470 0.007 0.000 0.247 295 S C 1.702 176.295 174.600 -0.012 0.000 1.078 295 S CA 0.092 58.244 58.200 -0.080 0.000 0.867 295 S CB -0.095 63.060 63.200 -0.076 0.000 0.797 295 S HN 0.527 nan 8.310 nan 0.000 0.515 296 K N 1.026 121.432 120.400 0.009 0.000 2.352 296 K HA 0.398 4.722 4.320 0.007 0.000 0.194 296 K C 1.121 177.787 176.600 0.111 0.000 1.038 296 K CA 0.485 56.810 56.287 0.064 0.000 1.023 296 K CB 0.222 32.753 32.500 0.052 0.000 0.840 296 K HN 0.552 nan 8.250 nan 0.000 0.519 297 G N 2.013 110.792 108.800 -0.035 0.000 2.136 297 G HA2 -0.274 3.691 3.960 0.007 0.000 0.242 297 G HA3 -0.274 3.691 3.960 0.007 0.000 0.242 297 G C -0.013 174.827 174.900 -0.099 0.000 0.989 297 G CA 0.434 45.438 45.100 -0.161 0.000 0.682 297 G HN 0.450 nan 8.290 nan 0.000 0.522 298 S N -2.061 113.606 115.700 -0.054 0.000 2.636 298 S HA 0.903 5.377 4.470 0.007 0.000 0.266 298 S C -0.416 174.135 174.600 -0.081 0.000 1.147 298 S CA 0.598 58.773 58.200 -0.043 0.000 0.815 298 S CB 1.849 65.089 63.200 0.066 0.000 1.119 298 S HN 1.927 nan 8.310 nan 0.000 0.470 299 S N -0.287 115.386 115.700 -0.044 0.000 2.911 299 S HA 0.793 5.267 4.470 0.007 0.000 0.319 299 S C -0.515 174.110 174.600 0.041 0.000 1.154 299 S CA -0.777 57.416 58.200 -0.011 0.000 0.857 299 S CB -0.539 62.675 63.200 0.023 0.000 1.279 299 S HN 1.623 nan 8.310 nan 0.000 0.593 300 I N 0.024 120.635 120.570 0.070 0.000 2.710 300 I HA 0.338 4.513 4.170 0.007 0.000 0.286 300 I C 0.569 176.712 176.117 0.043 0.000 1.181 300 I CA -0.658 60.670 61.300 0.046 0.000 1.430 300 I CB -1.233 36.791 38.000 0.041 0.000 1.367 300 I HN 0.721 nan 8.210 nan 0.000 0.577 301 I N 3.820 124.405 120.570 0.024 0.000 3.704 301 I HA -0.325 3.849 4.170 0.007 0.000 0.126 301 I C 0.211 176.343 176.117 0.024 0.000 1.017 301 I CA 0.767 62.078 61.300 0.019 0.000 2.740 301 I CB -1.285 36.723 38.000 0.014 0.000 1.302 301 I HN 0.921 nan 8.210 nan 0.000 0.342 302 N N 3.411 122.126 118.700 0.025 0.000 3.506 302 N HA 0.053 4.798 4.740 0.007 0.000 0.174 302 N C 0.541 176.068 175.510 0.027 0.000 1.488 302 N CA 0.381 53.448 53.050 0.028 0.000 0.834 302 N CB 0.483 38.998 38.487 0.047 0.000 1.677 302 N HN 0.190 nan 8.380 nan 0.000 0.654 303 V N -0.540 119.387 119.914 0.021 0.000 2.311 303 V HA -0.199 3.925 4.120 0.007 0.000 0.256 303 V C 0.847 176.970 176.094 0.048 0.000 1.077 303 V CA 1.407 63.722 62.300 0.025 0.000 1.067 303 V CB -0.811 31.022 31.823 0.017 0.000 0.659 303 V HN 0.473 nan 8.190 nan 0.000 0.451 304 E N 0.952 121.176 120.200 0.040 0.000 3.231 304 E HA -0.155 4.200 4.350 0.007 0.000 0.271 304 E C -0.668 175.983 176.600 0.085 0.000 0.877 304 E CA 1.095 57.520 56.400 0.043 0.000 0.973 304 E CB -0.240 29.465 29.700 0.008 0.000 0.922 304 E HN 0.826 nan 8.360 nan 0.000 0.532 305 Y N 3.231 123.508 120.300 -0.039 0.000 2.332 305 Y HA 0.305 4.860 4.550 0.007 0.000 0.326 305 Y C -0.548 175.323 175.900 -0.048 0.000 0.978 305 Y CA -0.790 57.282 58.100 -0.047 0.000 1.205 305 Y CB 0.949 39.386 38.460 -0.040 0.000 1.131 305 Y HN 0.279 nan 8.280 nan 0.000 0.462 306 R N 5.905 126.021 120.500 -0.641 0.000 2.239 306 R HA 0.291 4.635 4.340 0.007 0.000 0.332 306 R C 1.190 177.016 176.300 -0.790 0.000 0.988 306 R CA -0.589 55.168 56.100 -0.573 0.000 0.859 306 R CB 1.145 31.259 30.300 -0.309 0.000 1.148 306 R HN 0.858 nan 8.270 nan 0.000 0.482 307 R N 2.426 122.498 120.500 -0.714 0.000 2.120 307 R HA -0.141 4.204 4.340 0.007 0.000 0.234 307 R C 1.050 177.208 176.300 -0.236 0.000 1.123 307 R CA 2.097 57.937 56.100 -0.433 0.000 0.975 307 R CB 0.136 30.360 30.300 -0.127 0.000 0.866 307 R HN 0.662 nan 8.270 nan 0.000 0.446 308 D N -0.097 120.186 120.400 -0.196 0.000 2.371 308 D HA -0.134 4.511 4.640 0.007 0.000 0.221 308 D C 1.561 177.767 176.300 -0.156 0.000 0.986 308 D CA 0.661 54.587 54.000 -0.124 0.000 0.899 308 D CB 0.123 40.878 40.800 -0.075 0.000 0.902 308 D HN 0.400 nan 8.370 nan 0.000 0.530 309 L N -0.086 121.008 121.223 -0.215 0.000 2.577 309 L HA 0.313 4.657 4.340 0.007 0.000 0.225 309 L C 1.524 178.263 176.870 -0.218 0.000 1.053 309 L CA -0.109 54.606 54.840 -0.209 0.000 0.866 309 L CB -0.052 41.870 42.059 -0.228 0.000 1.132 309 L HN -0.069 nan 8.230 nan 0.000 0.486 310 A N 0.217 122.897 122.820 -0.234 0.000 2.386 310 A HA 0.159 4.483 4.320 0.007 0.000 0.246 310 A C 0.584 178.078 177.584 -0.149 0.000 1.089 310 A CA -0.074 51.869 52.037 -0.156 0.000 0.790 310 A CB -0.055 18.897 19.000 -0.080 0.000 1.042 310 A HN 0.546 nan 8.150 nan 0.000 0.497 311 N N -0.562 118.077 118.700 -0.101 0.000 2.721 311 N HA -0.153 4.591 4.740 0.007 0.000 0.249 311 N C -0.388 174.943 175.510 -0.299 0.000 1.072 311 N CA 1.345 54.329 53.050 -0.109 0.000 0.710 311 N CB -0.728 37.733 38.487 -0.044 0.000 0.993 311 N HN 0.681 nan 8.380 nan 0.000 0.547 312 R N 0.141 120.404 120.500 -0.395 0.000 2.795 312 R HA 0.315 4.660 4.340 0.007 0.000 0.320 312 R C -0.524 175.633 176.300 -0.239 0.000 1.223 312 R CA -0.398 55.166 56.100 -0.895 0.000 1.305 312 R CB 0.697 30.449 30.300 -0.912 0.000 1.318 312 R HN 0.044 nan 8.270 nan 0.000 0.636 313 L N 0.772 121.967 121.223 -0.047 0.000 2.492 313 L HA 0.302 4.646 4.340 0.007 0.000 0.259 313 L C -0.134 176.814 176.870 0.130 0.000 1.229 313 L CA -0.100 54.767 54.840 0.045 0.000 0.903 313 L CB 1.146 43.150 42.059 -0.092 0.000 1.114 313 L HN 0.022 nan 8.230 nan 0.000 0.494 314 D N 2.226 122.797 120.400 0.285 0.000 2.178 314 D HA -0.031 4.614 4.640 0.007 0.000 0.202 314 D C 0.011 176.542 176.300 0.386 0.000 0.974 314 D CA 1.352 55.557 54.000 0.341 0.000 0.841 314 D CB 0.192 41.253 40.800 0.435 0.000 0.953 314 D HN 0.551 nan 8.370 nan 0.000 0.478 315 W N -0.447 120.946 121.300 0.154 0.000 3.137 315 W HA 0.576 5.243 4.660 0.011 0.000 0.324 315 W C -1.995 174.593 176.519 0.116 0.000 1.253 315 W CA -1.048 56.371 57.345 0.123 0.000 1.183 315 W CB 0.795 30.321 29.460 0.111 0.000 1.424 315 W HN -0.337 nan 8.180 nan 0.000 0.566 316 L N 2.683 123.998 121.223 0.153 0.000 2.349 316 L HA 0.640 4.984 4.340 0.007 0.000 0.278 316 L C 0.365 177.313 176.870 0.130 0.000 0.996 316 L CA -0.402 54.407 54.840 -0.052 0.000 0.825 316 L CB 1.546 43.623 42.059 0.031 0.000 1.243 316 L HN 0.749 nan 8.230 nan 0.000 0.412 317 G N 4.179 112.933 108.800 -0.076 0.000 2.339 317 G HA2 0.461 4.425 3.960 0.007 0.000 0.287 317 G HA3 0.461 4.425 3.960 0.007 0.000 0.287 317 G C -0.722 174.354 174.900 0.294 0.000 1.163 317 G CA -0.256 44.979 45.100 0.226 0.000 0.872 317 G HN 0.374 nan 8.290 nan 0.000 0.464 318 V N 3.668 123.776 119.914 0.324 0.000 2.347 318 V HA 0.232 4.356 4.120 0.007 0.000 0.280 318 V C -0.567 175.724 176.094 0.329 0.000 1.021 318 V CA -1.172 61.365 62.300 0.396 0.000 0.847 318 V CB 1.196 33.192 31.823 0.289 0.000 0.990 318 V HN 0.628 nan 8.190 nan 0.000 0.444 319 N N 4.032 122.941 118.700 0.348 0.000 2.457 319 N HA 0.399 5.144 4.740 0.007 0.000 0.250 319 N C -1.124 174.566 175.510 0.299 0.000 0.982 319 N CA -0.268 52.908 53.050 0.210 0.000 0.941 319 N CB 1.038 39.614 38.487 0.148 0.000 1.120 319 N HN 0.711 nan 8.380 nan 0.000 0.505 320 Y N 2.218 122.528 120.300 0.017 0.000 2.376 320 Y HA 0.374 4.929 4.550 0.008 0.000 0.340 320 Y C -0.672 175.158 175.900 -0.116 0.000 0.965 320 Y CA -0.587 57.593 58.100 0.133 0.000 1.078 320 Y CB 0.814 39.419 38.460 0.242 0.000 1.193 320 Y HN 0.522 nan 8.280 nan 0.000 0.452 321 Y N 1.716 121.744 120.300 -0.454 0.000 2.731 321 Y HA 0.363 4.918 4.550 0.009 0.000 0.269 321 Y C 0.963 176.566 175.900 -0.495 0.000 1.156 321 Y CA 0.603 58.564 58.100 -0.232 0.000 1.191 321 Y CB 0.881 39.369 38.460 0.046 0.000 1.382 321 Y HN 0.555 nan 8.280 nan 0.000 0.477 322 S N -0.881 114.475 115.700 -0.573 0.000 2.815 322 S HA 0.592 5.067 4.470 0.007 0.000 0.296 322 S C -1.596 173.157 174.600 0.255 0.000 1.224 322 S CA -0.903 57.106 58.200 -0.319 0.000 0.938 322 S CB 0.880 63.582 63.200 -0.830 0.000 1.285 322 S HN 0.245 nan 8.310 nan 0.000 0.549 323 R N 0.238 120.949 120.500 0.352 0.000 3.006 323 R HA 0.867 5.211 4.340 0.007 0.000 0.235 323 R C -1.467 175.040 176.300 0.346 0.000 1.362 323 R CA -0.970 55.447 56.100 0.528 0.000 1.067 323 R CB 0.554 31.162 30.300 0.514 0.000 1.396 323 R HN 0.482 nan 8.270 nan 0.000 0.504 324 L N 1.066 122.399 121.223 0.182 0.000 2.438 324 L HA 0.488 4.832 4.340 0.007 0.000 0.270 324 L C -1.220 175.598 176.870 -0.087 0.000 0.972 324 L CA -1.170 53.626 54.840 -0.075 0.000 0.831 324 L CB 2.531 44.395 42.059 -0.326 0.000 1.273 324 L HN 0.394 nan 8.230 nan 0.000 0.405 325 V N 2.853 122.636 119.914 -0.219 0.000 2.459 325 V HA 0.507 4.631 4.120 0.007 0.000 0.295 325 V C -0.857 175.035 176.094 -0.337 0.000 1.029 325 V CA -0.583 61.588 62.300 -0.216 0.000 0.874 325 V CB 1.703 33.250 31.823 -0.459 0.000 0.985 325 V HN 0.424 nan 8.190 nan 0.000 0.438 326 Y N 2.834 123.032 120.300 -0.170 0.000 2.650 326 Y HA 0.749 5.303 4.550 0.007 0.000 0.331 326 Y C 0.287 176.059 175.900 -0.213 0.000 1.082 326 Y CA -1.136 56.874 58.100 -0.150 0.000 1.171 326 Y CB 1.774 40.194 38.460 -0.066 0.000 1.326 326 Y HN 0.618 nan 8.280 nan 0.000 0.513 327 K N 0.387 120.793 120.400 0.009 0.000 2.482 327 K HA 0.782 5.106 4.320 0.007 0.000 0.257 327 K C -1.319 175.252 176.600 -0.048 0.000 0.969 327 K CA -0.867 55.389 56.287 -0.052 0.000 0.842 327 K CB 2.490 34.969 32.500 -0.035 0.000 1.359 327 K HN 0.705 nan 8.250 nan 0.000 0.441 328 I N 0.235 120.769 120.570 -0.059 0.000 8.987 328 I HA -0.336 3.838 4.170 0.007 0.000 0.126 328 I C 0.454 176.534 176.117 -0.061 0.000 1.864 328 I CA -0.103 61.167 61.300 -0.049 0.000 2.042 328 I CB -0.445 37.537 38.000 -0.029 0.000 3.930 328 I HN 0.601 nan 8.210 nan 0.000 0.170 329 V N 2.775 122.663 119.914 -0.043 0.000 2.607 329 V HA -0.017 4.108 4.120 0.007 0.000 0.228 329 V C 1.250 177.331 176.094 -0.022 0.000 1.106 329 V CA 1.798 64.081 62.300 -0.030 0.000 1.141 329 V CB -0.400 31.415 31.823 -0.014 0.000 0.808 329 V HN 1.082 nan 8.190 nan 0.000 0.501 330 D N 0.334 120.727 120.400 -0.012 0.000 4.304 330 D HA -0.278 4.367 4.640 0.007 0.000 0.242 330 D C 0.724 177.023 176.300 -0.001 0.000 0.625 330 D CA 2.320 56.317 54.000 -0.006 0.000 0.997 330 D CB -0.717 40.078 40.800 -0.008 0.000 0.459 330 D HN 0.589 nan 8.370 nan 0.000 0.378 331 D N -0.682 119.715 120.400 -0.005 0.000 2.475 331 D HA 0.113 4.757 4.640 0.007 0.000 0.306 331 D C -0.533 175.764 176.300 -0.007 0.000 1.304 331 D CA -0.018 53.985 54.000 0.004 0.000 0.862 331 D CB 0.750 41.557 40.800 0.012 0.000 1.306 331 D HN 0.224 nan 8.370 nan 0.000 0.494 332 K N 1.758 122.139 120.400 -0.032 0.000 2.756 332 K HA 0.350 4.674 4.320 0.007 0.000 0.218 332 K C -2.963 173.574 176.600 -0.105 0.000 1.057 332 K CA -1.256 54.999 56.287 -0.053 0.000 1.056 332 K CB 2.570 35.066 32.500 -0.006 0.000 1.235 332 K HN -0.189 nan 8.250 nan 0.000 0.547 333 P HA 0.159 nan 4.420 nan 0.000 0.271 333 P C -0.486 176.791 177.300 -0.038 0.000 1.218 333 P CA -0.034 62.932 63.100 -0.223 0.000 0.780 333 P CB 0.770 32.167 31.700 -0.505 0.000 0.901 334 I N 2.975 123.604 120.570 0.098 0.000 2.569 334 I HA 0.365 4.539 4.170 0.007 0.000 0.296 334 I C 0.608 176.739 176.117 0.022 0.000 1.028 334 I CA -1.369 60.005 61.300 0.123 0.000 1.082 334 I CB 1.620 39.648 38.000 0.047 0.000 1.264 334 I HN 0.246 nan 8.210 nan 0.000 0.429 335 I N 3.708 124.183 120.570 -0.158 0.000 2.556 335 I HA 0.226 4.400 4.170 0.007 0.000 0.284 335 I C -0.710 175.310 176.117 -0.162 0.000 1.114 335 I CA -0.087 60.928 61.300 -0.474 0.000 1.418 335 I CB 0.215 37.925 38.000 -0.484 0.000 1.394 335 I HN 0.372 nan 8.210 nan 0.000 0.552 336 L N 6.567 127.692 121.223 -0.164 0.000 2.255 336 L HA 0.351 4.695 4.340 0.007 0.000 0.289 336 L C 0.154 177.103 176.870 0.131 0.000 1.046 336 L CA -0.494 54.383 54.840 0.061 0.000 0.816 336 L CB 0.196 42.319 42.059 0.108 0.000 1.197 336 L HN 0.619 nan 8.230 nan 0.000 0.427 337 H N 1.747 120.824 119.070 0.012 0.000 2.745 337 H HA 0.272 4.832 4.556 0.008 0.000 0.373 337 H C 1.194 176.522 175.328 -0.000 0.000 1.226 337 H CA 0.787 56.837 56.048 0.004 0.000 1.435 337 H CB 0.813 30.566 29.762 -0.015 0.000 1.461 337 H HN 0.771 nan 8.280 nan 0.000 0.616 338 G N -0.414 108.414 108.800 0.047 0.000 2.176 338 G HA2 -0.248 3.716 3.960 0.007 0.000 0.253 338 G HA3 -0.248 3.716 3.960 0.007 0.000 0.253 338 G C -0.513 174.214 174.900 -0.288 0.000 0.979 338 G CA 0.090 45.116 45.100 -0.122 0.000 0.641 338 G HN 0.511 nan 8.290 nan 0.000 0.530 339 Y N -0.108 120.175 120.300 -0.028 0.000 2.485 339 Y HA 0.548 5.102 4.550 0.007 0.000 0.345 339 Y C 1.387 177.254 175.900 -0.055 0.000 0.998 339 Y CA 0.389 58.458 58.100 -0.051 0.000 1.059 339 Y CB 1.636 40.048 38.460 -0.080 0.000 1.234 339 Y HN 0.972 nan 8.280 nan 0.000 0.461 340 G N 1.706 110.585 108.800 0.133 0.000 2.660 340 G HA2 -0.400 3.564 3.960 0.007 0.000 0.321 340 G HA3 -0.400 3.564 3.960 0.007 0.000 0.321 340 G C 0.733 175.600 174.900 -0.055 0.000 1.246 340 G CA 1.103 46.221 45.100 0.031 0.000 1.000 340 G HN 0.598 nan 8.290 nan 0.000 0.550 341 F N 0.997 120.865 119.950 -0.136 0.000 2.699 341 F HA 0.306 4.837 4.527 0.007 0.000 0.298 341 F C 2.156 177.922 175.800 -0.056 0.000 1.154 341 F CA 0.792 58.639 58.000 -0.254 0.000 1.457 341 F CB 0.005 38.644 39.000 -0.601 0.000 1.106 341 F HN 0.113 nan 8.300 nan 0.000 0.585 342 L N -0.781 120.479 121.223 0.061 0.000 2.912 342 L HA 0.172 4.517 4.340 0.007 0.000 0.240 342 L C 0.018 176.916 176.870 0.048 0.000 1.262 342 L CA -0.380 54.445 54.840 -0.024 0.000 1.058 342 L CB -0.690 41.190 42.059 -0.299 0.000 1.383 342 L HN 0.102 nan 8.230 nan 0.000 0.512 343 C N -0.435 118.930 119.300 0.107 0.000 2.352 343 C HA 0.557 5.022 4.460 0.007 0.000 0.387 343 C C 1.247 176.300 174.990 0.105 0.000 1.294 343 C CA -0.533 58.534 59.018 0.082 0.000 2.137 343 C CB 1.533 29.317 27.740 0.074 0.000 2.146 343 C HN 0.532 nan 8.230 nan 0.000 0.559 344 T N -0.535 114.060 114.554 0.068 0.000 2.875 344 T HA 0.413 4.767 4.350 0.007 0.000 0.284 344 T C -2.896 171.834 174.700 0.049 0.000 0.995 344 T CA -1.553 60.583 62.100 0.060 0.000 1.060 344 T CB 0.785 69.675 68.868 0.036 0.000 0.967 344 T HN 0.400 nan 8.240 nan 0.000 0.476 345 P HA 0.211 nan 4.420 nan 0.000 0.260 345 P C 1.170 178.468 177.300 -0.004 0.000 1.185 345 P CA 1.255 64.355 63.100 0.001 0.000 0.763 345 P CB -0.014 31.671 31.700 -0.025 0.000 0.776 346 G N 2.478 111.276 108.800 -0.003 0.000 2.189 346 G HA2 -0.221 3.743 3.960 0.007 0.000 0.267 346 G HA3 -0.221 3.743 3.960 0.007 0.000 0.267 346 G C 0.746 175.657 174.900 0.017 0.000 0.975 346 G CA 0.052 45.153 45.100 0.003 0.000 0.644 346 G HN 0.835 nan 8.290 nan 0.000 0.537 347 G N -0.745 108.069 108.800 0.023 0.000 2.489 347 G HA2 0.616 4.580 3.960 0.007 0.000 0.271 347 G HA3 0.616 4.580 3.960 0.007 0.000 0.271 347 G C -0.042 174.875 174.900 0.029 0.000 1.427 347 G CA -0.282 44.831 45.100 0.021 0.000 1.057 347 G HN 0.788 nan 8.290 nan 0.000 0.532 348 I N -0.088 120.492 120.570 0.017 0.000 2.619 348 I HA 0.267 4.441 4.170 0.007 0.000 0.292 348 I C 0.252 176.361 176.117 -0.014 0.000 1.100 348 I CA -0.730 60.582 61.300 0.020 0.000 1.043 348 I CB 2.448 40.461 38.000 0.021 0.000 1.239 348 I HN 0.599 nan 8.210 nan 0.000 0.420 349 S N 4.148 119.838 115.700 -0.017 0.000 2.632 349 S HA 0.374 4.848 4.470 0.007 0.000 0.267 349 S C -2.067 172.457 174.600 -0.127 0.000 1.276 349 S CA -1.067 57.068 58.200 -0.109 0.000 0.998 349 S CB 1.002 64.156 63.200 -0.076 0.000 0.953 349 S HN 0.418 nan 8.310 nan 0.000 0.547 350 P HA 0.062 nan 4.420 nan 0.000 0.226 350 P C 0.505 177.804 177.300 -0.002 0.000 1.146 350 P CA 1.172 64.172 63.100 -0.167 0.000 0.773 350 P CB -0.116 31.387 31.700 -0.328 0.000 0.772 351 A N -0.748 122.100 122.820 0.046 0.000 2.500 351 A HA 0.162 4.486 4.320 0.007 0.000 0.267 351 A C 0.523 178.170 177.584 0.105 0.000 1.290 351 A CA -0.130 51.983 52.037 0.127 0.000 0.928 351 A CB -0.659 18.464 19.000 0.206 0.000 1.066 351 A HN 0.075 nan 8.150 nan 0.000 0.516 352 E N -0.248 119.992 120.200 0.067 0.000 3.070 352 E HA -0.160 4.195 4.350 0.007 0.000 0.285 352 E C -0.757 175.896 176.600 0.089 0.000 0.972 352 E CA 0.439 56.880 56.400 0.068 0.000 0.915 352 E CB -1.506 28.236 29.700 0.070 0.000 1.466 352 E HN 0.701 nan 8.360 nan 0.000 0.432 353 N N 1.460 120.222 118.700 0.103 0.000 2.430 353 N HA 0.267 5.012 4.740 0.007 0.000 0.292 353 N C -2.296 173.286 175.510 0.120 0.000 1.051 353 N CA -1.466 51.666 53.050 0.137 0.000 0.917 353 N CB 1.141 39.744 38.487 0.192 0.000 1.164 353 N HN -0.046 nan 8.380 nan 0.000 0.484 354 P HA 0.153 nan 4.420 nan 0.000 0.272 354 P C -0.501 176.884 177.300 0.141 0.000 1.223 354 P CA -0.188 62.984 63.100 0.121 0.000 0.784 354 P CB 0.775 32.553 31.700 0.131 0.000 0.923 355 C N 1.494 120.859 119.300 0.108 0.000 2.455 355 C HA 0.447 4.911 4.460 0.007 0.000 0.320 355 C C 1.264 176.299 174.990 0.076 0.000 1.226 355 C CA -0.165 58.921 59.018 0.113 0.000 1.569 355 C CB 1.197 28.991 27.740 0.090 0.000 2.200 355 C HN 0.700 nan 8.230 nan 0.000 0.491 356 S N 1.455 117.196 115.700 0.069 0.000 2.617 356 S HA 0.079 4.554 4.470 0.007 0.000 0.255 356 S C 0.602 175.141 174.600 -0.101 0.000 1.318 356 S CA 0.150 58.325 58.200 -0.041 0.000 0.978 356 S CB 0.384 63.517 63.200 -0.113 0.000 0.961 356 S HN 0.710 nan 8.310 nan 0.000 0.582 357 D N -0.265 120.021 120.400 -0.190 0.000 2.263 357 D HA 0.005 4.649 4.640 0.007 0.000 0.208 357 D C 1.021 177.172 176.300 -0.249 0.000 0.971 357 D CA 0.870 54.743 54.000 -0.211 0.000 0.867 357 D CB -0.364 40.273 40.800 -0.271 0.000 0.929 357 D HN 0.533 nan 8.370 nan 0.000 0.492 358 F N 0.093 119.747 119.950 -0.494 0.000 2.710 358 F HA 0.235 4.767 4.527 0.007 0.000 0.298 358 F C 1.712 177.270 175.800 -0.404 0.000 1.137 358 F CA 0.518 58.125 58.000 -0.655 0.000 1.444 358 F CB 0.210 38.273 39.000 -1.560 0.000 1.111 358 F HN 0.061 nan 8.300 nan 0.000 0.580 359 G N -0.576 108.216 108.800 -0.012 0.000 2.149 359 G HA2 -0.263 3.701 3.960 0.007 0.000 0.235 359 G HA3 -0.263 3.701 3.960 0.007 0.000 0.235 359 G C -0.445 174.653 174.900 0.329 0.000 1.018 359 G CA -0.229 44.957 45.100 0.143 0.000 0.728 359 G HN 0.121 nan 8.290 nan 0.000 0.508 360 W N 1.026 122.341 121.300 0.025 0.000 2.391 360 W HA 0.607 5.271 4.660 0.007 0.000 0.311 360 W C 0.469 176.960 176.519 -0.045 0.000 1.087 360 W CA -2.296 54.976 57.345 -0.122 0.000 1.209 360 W CB 0.657 29.949 29.460 -0.280 0.000 1.273 360 W HN 0.383 nan 8.180 nan 0.000 0.482 361 E N 1.966 122.264 120.200 0.163 0.000 2.376 361 E HA 0.194 4.548 4.350 0.007 0.000 0.266 361 E C -0.600 176.171 176.600 0.286 0.000 1.009 361 E CA -0.133 56.376 56.400 0.182 0.000 0.902 361 E CB 0.930 30.707 29.700 0.128 0.000 0.972 361 E HN 0.177 nan 8.360 nan 0.000 0.439 362 V N 6.130 126.255 119.914 0.350 0.000 2.446 362 V HA -0.034 4.091 4.120 0.007 0.000 0.276 362 V C -0.473 175.894 176.094 0.455 0.000 1.030 362 V CA 0.305 62.886 62.300 0.470 0.000 1.033 362 V CB -0.141 31.949 31.823 0.445 0.000 0.993 362 V HN 0.622 nan 8.190 nan 0.000 0.477 363 Y N 8.442 128.921 120.300 0.300 0.000 2.529 363 Y HA 0.359 4.914 4.550 0.008 0.000 0.319 363 Y C -1.741 174.299 175.900 0.232 0.000 1.063 363 Y CA -2.272 55.983 58.100 0.257 0.000 1.178 363 Y CB 1.412 40.066 38.460 0.322 0.000 1.123 363 Y HN 0.514 nan 8.280 nan 0.000 0.625 364 P HA -0.236 nan 4.420 nan 0.000 0.216 364 P C 1.126 178.168 177.300 -0.429 0.000 1.150 364 P CA 1.552 64.269 63.100 -0.638 0.000 0.843 364 P CB 0.574 31.848 31.700 -0.711 0.000 0.787 365 E N -0.058 119.835 120.200 -0.511 0.000 2.171 365 E HA -0.133 4.221 4.350 0.007 0.000 0.197 365 E C 2.323 178.574 176.600 -0.582 0.000 0.997 365 E CA 1.495 57.602 56.400 -0.487 0.000 0.810 365 E CB -1.054 28.345 29.700 -0.502 0.000 0.738 365 E HN 0.331 nan 8.360 nan 0.000 0.467 366 G N 1.227 109.583 108.800 -0.740 0.000 2.442 366 G HA2 -0.254 3.710 3.960 0.007 0.000 0.219 366 G HA3 -0.254 3.710 3.960 0.007 0.000 0.219 366 G C 1.599 175.971 174.900 -0.880 0.000 1.141 366 G CA 0.786 45.520 45.100 -0.611 0.000 0.763 366 G HN 0.254 nan 8.290 nan 0.000 0.554 367 L N -0.435 120.263 121.223 -0.874 0.000 2.046 367 L HA -0.002 4.342 4.340 0.007 0.000 0.208 367 L C 2.469 179.083 176.870 -0.427 0.000 1.077 367 L CA 1.692 56.062 54.840 -0.782 0.000 0.747 367 L CB -0.907 40.996 42.059 -0.258 0.000 0.896 367 L HN 0.351 nan 8.230 nan 0.000 0.432 368 Y N -0.095 119.937 120.300 -0.446 0.000 2.097 368 Y HA -0.256 4.298 4.550 0.006 0.000 0.282 368 Y C 2.233 177.881 175.900 -0.419 0.000 1.152 368 Y CA 2.162 60.045 58.100 -0.361 0.000 1.136 368 Y CB -0.565 37.695 38.460 -0.334 0.000 0.975 368 Y HN 0.195 nan 8.280 nan 0.000 0.498 369 L N -0.318 120.418 121.223 -0.812 0.000 2.083 369 L HA -0.232 4.113 4.340 0.007 0.000 0.209 369 L C 2.661 178.933 176.870 -0.996 0.000 1.083 369 L CA 1.216 55.429 54.840 -1.044 0.000 0.752 369 L CB -0.669 40.589 42.059 -1.334 0.000 0.899 369 L HN 0.360 nan 8.230 nan 0.000 0.433 370 L N -0.168 120.509 121.223 -0.909 0.000 2.017 370 L HA -0.227 4.118 4.340 0.007 0.000 0.208 370 L C 2.549 179.315 176.870 -0.175 0.000 1.073 370 L CA 1.453 56.134 54.840 -0.265 0.000 0.745 370 L CB -0.085 41.897 42.059 -0.128 0.000 0.894 370 L HN 0.256 nan 8.230 nan 0.000 0.432 371 L N -0.266 120.806 121.223 -0.252 0.000 2.017 371 L HA -0.277 4.068 4.340 0.007 0.000 0.208 371 L C 2.656 179.443 176.870 -0.139 0.000 1.073 371 L CA 1.544 56.292 54.840 -0.153 0.000 0.745 371 L CB -0.550 41.433 42.059 -0.127 0.000 0.894 371 L HN 0.221 nan 8.230 nan 0.000 0.432 372 K N 0.011 120.247 120.400 -0.274 0.000 2.009 372 K HA -0.259 4.066 4.320 0.007 0.000 0.210 372 K C 2.086 178.639 176.600 -0.079 0.000 1.049 372 K CA 1.835 58.005 56.287 -0.195 0.000 0.929 372 K CB -0.195 32.090 32.500 -0.359 0.000 0.714 372 K HN 0.279 nan 8.250 nan 0.000 0.440 373 E N 1.108 121.262 120.200 -0.076 0.000 2.085 373 E HA -0.193 4.162 4.350 0.007 0.000 0.194 373 E C 1.983 178.506 176.600 -0.129 0.000 0.994 373 E CA 0.920 57.308 56.400 -0.020 0.000 0.801 373 E CB 0.006 29.830 29.700 0.208 0.000 0.743 373 E HN 0.211 nan 8.360 nan 0.000 0.453 374 L N -0.119 121.050 121.223 -0.090 0.000 2.017 374 L HA -0.190 4.154 4.340 0.007 0.000 0.208 374 L C 2.551 179.406 176.870 -0.025 0.000 1.073 374 L CA 1.353 56.133 54.840 -0.101 0.000 0.745 374 L CB -0.598 41.426 42.059 -0.059 0.000 0.894 374 L HN 0.291 nan 8.230 nan 0.000 0.432 375 Y N 1.383 121.630 120.300 -0.089 0.000 2.181 375 Y HA -0.227 4.328 4.550 0.009 0.000 0.288 375 Y C 2.513 178.354 175.900 -0.098 0.000 1.146 375 Y CA 1.511 59.578 58.100 -0.054 0.000 1.164 375 Y CB -0.300 38.131 38.460 -0.049 0.000 0.982 375 Y HN 0.226 nan 8.280 nan 0.000 0.515 376 N N 0.161 118.740 118.700 -0.201 0.000 2.244 376 N HA -0.152 4.592 4.740 0.007 0.000 0.183 376 N C 2.003 177.294 175.510 -0.365 0.000 1.016 376 N CA 1.207 54.082 53.050 -0.291 0.000 0.866 376 N CB -0.389 38.000 38.487 -0.163 0.000 0.980 376 N HN 0.427 nan 8.380 nan 0.000 0.430 377 R N -0.490 119.735 120.500 -0.459 0.000 2.075 377 R HA -0.035 4.310 4.340 0.007 0.000 0.226 377 R C 1.008 176.845 176.300 -0.772 0.000 1.114 377 R CA 1.158 56.826 56.100 -0.720 0.000 0.972 377 R CB 0.102 29.721 30.300 -1.134 0.000 0.869 377 R HN 0.193 nan 8.270 nan 0.000 0.437 378 Y N -1.673 118.494 120.300 -0.222 0.000 2.483 378 Y HA 0.350 4.904 4.550 0.006 0.000 0.258 378 Y C 1.423 177.221 175.900 -0.170 0.000 1.083 378 Y CA 0.226 58.230 58.100 -0.161 0.000 1.283 378 Y CB 0.445 38.843 38.460 -0.102 0.000 1.178 378 Y HN 0.291 nan 8.280 nan 0.000 0.515 379 G N 0.952 109.632 108.800 -0.199 0.000 2.187 379 G HA2 -0.272 3.693 3.960 0.007 0.000 0.261 379 G HA3 -0.272 3.693 3.960 0.007 0.000 0.261 379 G C -0.010 174.934 174.900 0.074 0.000 1.000 379 G CA 0.530 45.404 45.100 -0.378 0.000 0.718 379 G HN 0.183 nan 8.290 nan 0.000 0.519 380 V N 0.142 120.185 119.914 0.215 0.000 2.834 380 V HA 0.445 4.569 4.120 0.007 0.000 0.313 380 V C 0.543 176.826 176.094 0.315 0.000 1.060 380 V CA -0.909 61.541 62.300 0.251 0.000 0.989 380 V CB 1.553 33.489 31.823 0.188 0.000 1.041 380 V HN 0.225 nan 8.190 nan 0.000 0.459 381 D N 2.311 122.877 120.400 0.278 0.000 2.472 381 D HA 0.338 4.982 4.640 0.007 0.000 0.237 381 D C -0.414 176.059 176.300 0.288 0.000 1.141 381 D CA 0.645 54.792 54.000 0.246 0.000 0.875 381 D CB 0.413 41.342 40.800 0.215 0.000 1.192 381 D HN 0.264 nan 8.370 nan 0.000 0.450 382 L N 2.273 123.632 121.223 0.227 0.000 2.354 382 L HA 0.601 4.946 4.340 0.007 0.000 0.269 382 L C -0.284 176.719 176.870 0.222 0.000 1.005 382 L CA -0.828 54.159 54.840 0.246 0.000 0.819 382 L CB 1.706 43.869 42.059 0.174 0.000 1.311 382 L HN 0.173 nan 8.230 nan 0.000 0.423 383 I N 1.928 122.670 120.570 0.286 0.000 2.534 383 I HA 0.224 4.399 4.170 0.007 0.000 0.288 383 I C -0.509 175.736 176.117 0.213 0.000 1.077 383 I CA -0.798 60.616 61.300 0.191 0.000 1.051 383 I CB 2.581 40.664 38.000 0.137 0.000 1.234 383 I HN 0.163 nan 8.210 nan 0.000 0.425 384 V N 5.300 125.307 119.914 0.155 0.000 2.377 384 V HA -0.017 4.107 4.120 0.007 0.000 0.254 384 V C 1.455 177.584 176.094 0.058 0.000 1.060 384 V CA 0.457 62.843 62.300 0.145 0.000 1.068 384 V CB 0.180 32.115 31.823 0.185 0.000 1.113 384 V HN 0.964 nan 8.190 nan 0.000 0.484 385 T N 1.042 115.678 114.554 0.137 0.000 3.088 385 T HA 0.160 4.514 4.350 0.007 0.000 0.259 385 T C 0.453 175.219 174.700 0.111 0.000 1.122 385 T CA 0.326 62.504 62.100 0.131 0.000 1.095 385 T CB 0.249 69.254 68.868 0.228 0.000 0.930 385 T HN 0.650 nan 8.240 nan 0.000 0.508 386 E N 0.485 120.726 120.200 0.067 0.000 2.347 386 E HA 0.538 4.893 4.350 0.007 0.000 0.285 386 E C -1.699 174.799 176.600 -0.170 0.000 0.925 386 E CA -0.784 55.645 56.400 0.048 0.000 0.779 386 E CB 1.781 31.550 29.700 0.114 0.000 1.233 386 E HN 0.218 nan 8.360 nan 0.000 0.414 387 N N 1.418 120.000 118.700 -0.197 0.000 2.718 387 N HA 0.519 5.263 4.740 0.007 0.000 0.260 387 N C -1.382 174.099 175.510 -0.049 0.000 1.089 387 N CA -0.126 52.800 53.050 -0.206 0.000 1.021 387 N CB 1.712 40.263 38.487 0.107 0.000 1.618 387 N HN 0.627 nan 8.380 nan 0.000 0.554 388 G N 0.182 109.050 108.800 0.113 0.000 2.489 388 G HA2 0.609 4.573 3.960 0.007 0.000 0.305 388 G HA3 0.609 4.573 3.960 0.007 0.000 0.305 388 G C -2.010 172.948 174.900 0.096 0.000 1.311 388 G CA -0.149 45.029 45.100 0.130 0.000 0.813 388 G HN 0.900 nan 8.290 nan 0.000 0.480 389 V N -0.463 119.483 119.914 0.054 0.000 2.891 389 V HA 0.708 4.832 4.120 0.007 0.000 0.304 389 V C -0.318 175.419 176.094 -0.594 0.000 1.171 389 V CA -0.234 61.892 62.300 -0.290 0.000 0.943 389 V CB 1.915 33.311 31.823 -0.711 0.000 1.037 389 V HN 1.376 nan 8.190 nan 0.000 0.427 390 S N 4.430 119.500 115.700 -1.050 0.000 2.443 390 S HA 0.439 4.914 4.470 0.007 0.000 0.284 390 S C -0.545 173.754 174.600 -0.502 0.000 1.206 390 S CA 0.496 58.017 58.200 -1.131 0.000 1.074 390 S CB -0.267 62.324 63.200 -1.015 0.000 0.963 390 S HN 0.985 nan 8.310 nan 0.000 0.501 391 D N 2.767 122.963 120.400 -0.340 0.000 2.491 391 D HA 0.147 4.791 4.640 0.007 0.000 0.232 391 D C 0.832 177.068 176.300 -0.106 0.000 1.334 391 D CA -0.129 53.767 54.000 -0.173 0.000 0.909 391 D CB 0.285 41.019 40.800 -0.110 0.000 1.513 391 D HN 0.369 nan 8.370 nan 0.000 0.514 392 S N 2.664 118.303 115.700 -0.102 0.000 2.419 392 S HA -0.133 4.341 4.470 0.007 0.000 0.233 392 S C 1.570 176.146 174.600 -0.040 0.000 1.016 392 S CA 0.488 58.652 58.200 -0.060 0.000 0.974 392 S CB -0.069 63.096 63.200 -0.059 0.000 0.786 392 S HN 0.497 nan 8.310 nan 0.000 0.492 393 R N 0.644 121.122 120.500 -0.038 0.000 2.297 393 R HA 0.166 4.510 4.340 0.007 0.000 0.197 393 R C 0.100 176.397 176.300 -0.005 0.000 0.943 393 R CA 0.587 56.673 56.100 -0.023 0.000 1.038 393 R CB -0.263 30.025 30.300 -0.021 0.000 0.957 393 R HN 0.403 nan 8.270 nan 0.000 0.484 394 D N -0.864 119.536 120.400 -0.000 0.000 2.870 394 D HA -0.193 4.451 4.640 0.007 0.000 0.228 394 D C 0.533 176.857 176.300 0.040 0.000 1.147 394 D CA 0.733 54.749 54.000 0.026 0.000 0.757 394 D CB -0.721 40.098 40.800 0.031 0.000 1.091 394 D HN 0.394 nan 8.370 nan 0.000 0.429 395 A N -0.956 121.883 122.820 0.032 0.000 2.169 395 A HA 0.307 4.631 4.320 0.007 0.000 0.212 395 A C 1.948 179.576 177.584 0.072 0.000 1.153 395 A CA 0.706 52.769 52.037 0.044 0.000 0.756 395 A CB 0.176 19.193 19.000 0.029 0.000 0.813 395 A HN 0.433 nan 8.150 nan 0.000 0.471 396 L N -2.939 118.336 121.223 0.087 0.000 2.806 396 L HA 0.211 4.556 4.340 0.007 0.000 0.242 396 L C 2.250 179.247 176.870 0.212 0.000 1.068 396 L CA 0.210 55.139 54.840 0.148 0.000 0.923 396 L CB -0.280 41.868 42.059 0.148 0.000 1.364 396 L HN 0.314 nan 8.230 nan 0.000 0.511 397 R N 1.412 122.011 120.500 0.164 0.000 2.113 397 R HA -0.200 4.144 4.340 0.007 0.000 0.244 397 R C -0.608 175.848 176.300 0.260 0.000 1.142 397 R CA 2.251 58.485 56.100 0.224 0.000 0.953 397 R CB -1.012 29.385 30.300 0.161 0.000 0.860 397 R HN 0.173 nan 8.270 nan 0.000 0.438 398 P HA -0.157 nan 4.420 nan 0.000 0.214 398 P C 0.785 178.176 177.300 0.153 0.000 1.163 398 P CA 2.234 65.422 63.100 0.146 0.000 0.889 398 P CB -0.075 31.687 31.700 0.102 0.000 0.790 399 A N -1.967 120.944 122.820 0.152 0.000 1.929 399 A HA -0.201 4.124 4.320 0.007 0.000 0.216 399 A C 2.259 179.982 177.584 0.230 0.000 1.176 399 A CA 1.210 53.319 52.037 0.120 0.000 0.628 399 A CB -1.873 17.185 19.000 0.097 0.000 0.816 399 A HN 0.144 nan 8.150 nan 0.000 0.444 400 Y N 0.051 120.489 120.300 0.230 0.000 2.181 400 Y HA -0.161 4.394 4.550 0.007 0.000 0.288 400 Y C 2.001 178.187 175.900 0.476 0.000 1.146 400 Y CA 1.738 60.068 58.100 0.384 0.000 1.164 400 Y CB -0.241 38.431 38.460 0.354 0.000 0.982 400 Y HN 0.274 nan 8.280 nan 0.000 0.515 401 L N -0.601 120.972 121.223 0.584 0.000 1.994 401 L HA -0.141 4.203 4.340 0.007 0.000 0.208 401 L C 2.216 179.247 176.870 0.268 0.000 1.071 401 L CA 1.856 56.982 54.840 0.477 0.000 0.745 401 L CB -1.137 41.113 42.059 0.319 0.000 0.892 401 L HN 0.102 nan 8.230 nan 0.000 0.431 402 V N -0.697 119.314 119.914 0.161 0.000 2.407 402 V HA -0.232 3.892 4.120 0.007 0.000 0.248 402 V C 2.574 178.709 176.094 0.069 0.000 1.055 402 V CA 1.698 64.032 62.300 0.055 0.000 1.049 402 V CB -0.779 31.020 31.823 -0.040 0.000 0.662 402 V HN 0.509 nan 8.190 nan 0.000 0.455 403 S N -0.505 115.241 115.700 0.076 0.000 2.353 403 S HA -0.246 4.228 4.470 0.007 0.000 0.222 403 S C 1.896 176.494 174.600 -0.003 0.000 1.035 403 S CA 2.038 60.240 58.200 0.004 0.000 1.025 403 S CB -0.421 62.715 63.200 -0.108 0.000 0.902 403 S HN 0.737 nan 8.310 nan 0.000 0.440 404 H N 0.238 119.348 119.070 0.066 0.000 2.423 404 H HA 0.094 4.654 4.556 0.007 0.000 0.297 404 H C 2.025 177.431 175.328 0.131 0.000 1.075 404 H CA 1.058 57.187 56.048 0.135 0.000 1.342 404 H CB -0.366 29.548 29.762 0.253 0.000 1.395 404 H HN 0.130 nan 8.280 nan 0.000 0.530 405 V N 0.422 120.399 119.914 0.104 0.000 2.490 405 V HA -0.277 3.847 4.120 0.007 0.000 0.250 405 V C 2.009 178.254 176.094 0.251 0.000 1.061 405 V CA 1.710 64.013 62.300 0.005 0.000 1.064 405 V CB -0.594 31.177 31.823 -0.086 0.000 0.670 405 V HN 0.458 nan 8.190 nan 0.000 0.461 406 Y N 1.359 121.699 120.300 0.067 0.000 2.163 406 Y HA -0.206 4.348 4.550 0.007 0.000 0.288 406 Y C 2.731 178.715 175.900 0.140 0.000 1.136 406 Y CA 1.700 59.837 58.100 0.061 0.000 1.147 406 Y CB -0.557 37.868 38.460 -0.057 0.000 0.987 406 Y HN 0.205 nan 8.280 nan 0.000 0.509 407 S N -0.498 115.137 115.700 -0.108 0.000 2.383 407 S HA -0.194 4.280 4.470 0.007 0.000 0.229 407 S C 2.148 176.747 174.600 -0.002 0.000 1.030 407 S CA 1.469 59.566 58.200 -0.171 0.000 1.002 407 S CB -0.698 62.464 63.200 -0.064 0.000 0.829 407 S HN 0.343 nan 8.310 nan 0.000 0.467 408 V N 1.652 121.663 119.914 0.161 0.000 2.307 408 V HA -0.150 3.975 4.120 0.007 0.000 0.245 408 V C 2.046 178.307 176.094 0.278 0.000 1.045 408 V CA 1.587 64.052 62.300 0.275 0.000 1.024 408 V CB -0.762 31.321 31.823 0.434 0.000 0.651 408 V HN 0.768 nan 8.190 nan 0.000 0.449 409 W N 1.945 123.317 121.300 0.120 0.000 2.333 409 W HA -0.276 4.385 4.660 0.003 0.000 0.316 409 W C 2.349 178.738 176.519 -0.216 0.000 1.215 409 W CA 2.382 59.625 57.345 -0.169 0.000 1.278 409 W CB -0.541 28.643 29.460 -0.459 0.000 1.154 409 W HN 0.247 nan 8.180 nan 0.000 0.486 410 K N 0.847 120.978 120.400 -0.449 0.000 2.074 410 K HA -0.216 4.108 4.320 0.007 0.000 0.209 410 K C 2.331 178.746 176.600 -0.307 0.000 1.048 410 K CA 2.337 58.299 56.287 -0.541 0.000 0.926 410 K CB -0.509 31.572 32.500 -0.698 0.000 0.713 410 K HN 0.125 nan 8.250 nan 0.000 0.444 411 A N 0.726 123.493 122.820 -0.088 0.000 1.898 411 A HA -0.042 4.282 4.320 0.007 0.000 0.216 411 A C 2.294 179.782 177.584 -0.159 0.000 1.181 411 A CA 1.703 53.725 52.037 -0.026 0.000 0.620 411 A CB -0.700 18.300 19.000 -0.001 0.000 0.819 411 A HN 0.482 nan 8.150 nan 0.000 0.442 412 A N 0.237 122.939 122.820 -0.196 0.000 1.898 412 A HA -0.191 4.133 4.320 0.007 0.000 0.216 412 A C 2.037 179.391 177.584 -0.382 0.000 1.181 412 A CA 1.655 53.563 52.037 -0.214 0.000 0.620 412 A CB -0.680 18.266 19.000 -0.090 0.000 0.819 412 A HN 0.598 nan 8.150 nan 0.000 0.442 413 N N 0.261 118.547 118.700 -0.689 0.000 2.364 413 N HA -0.147 4.598 4.740 0.007 0.000 0.183 413 N C 0.980 176.260 175.510 -0.383 0.000 1.022 413 N CA 1.309 53.910 53.050 -0.748 0.000 0.883 413 N CB -0.147 37.602 38.487 -1.230 0.000 0.965 413 N HN 0.649 nan 8.380 nan 0.000 0.438 414 E N -1.101 118.930 120.200 -0.282 0.000 2.444 414 E HA 0.174 4.528 4.350 0.007 0.000 0.191 414 E C 0.724 177.243 176.600 -0.135 0.000 1.041 414 E CA 0.225 56.533 56.400 -0.153 0.000 0.883 414 E CB 0.081 29.737 29.700 -0.073 0.000 1.024 414 E HN 0.479 nan 8.360 nan 0.000 0.470 415 G N 1.149 109.846 108.800 -0.173 0.000 2.213 415 G HA2 -0.267 3.698 3.960 0.007 0.000 0.236 415 G HA3 -0.267 3.698 3.960 0.007 0.000 0.236 415 G C 0.183 174.927 174.900 -0.261 0.000 0.991 415 G CA -0.294 44.709 45.100 -0.162 0.000 0.629 415 G HN 0.161 nan 8.290 nan 0.000 0.517 416 I N 3.546 123.936 120.570 -0.299 0.000 2.587 416 I HA 0.241 4.415 4.170 0.007 0.000 0.284 416 I C -1.114 174.791 176.117 -0.353 0.000 1.134 416 I CA -2.312 58.697 61.300 -0.485 0.000 1.410 416 I CB 0.601 38.414 38.000 -0.310 0.000 1.392 416 I HN -0.015 nan 8.210 nan 0.000 0.545 417 P HA 0.020 nan 4.420 nan 0.000 0.235 417 P C -0.460 176.822 177.300 -0.029 0.000 1.720 417 P CA 0.069 63.068 63.100 -0.169 0.000 1.003 417 P CB -0.244 31.374 31.700 -0.137 0.000 1.968 418 V N 3.896 123.828 119.914 0.030 0.000 2.408 418 V HA 0.108 4.232 4.120 0.007 0.000 0.267 418 V C 1.566 177.782 176.094 0.203 0.000 1.047 418 V CA -0.012 62.366 62.300 0.130 0.000 0.937 418 V CB 1.169 33.102 31.823 0.184 0.000 0.999 418 V HN 0.167 nan 8.190 nan 0.000 0.472 419 K N 3.298 123.747 120.400 0.082 0.000 2.487 419 K HA 0.302 4.627 4.320 0.007 0.000 0.192 419 K C 0.727 177.072 176.600 -0.425 0.000 1.027 419 K CA 0.469 56.734 56.287 -0.036 0.000 1.054 419 K CB 0.656 33.108 32.500 -0.080 0.000 0.824 419 K HN 0.891 nan 8.250 nan 0.000 0.510 420 G N 0.114 108.583 108.800 -0.551 0.000 2.338 420 G HA2 0.243 4.207 3.960 0.007 0.000 0.295 420 G HA3 0.243 4.207 3.960 0.007 0.000 0.295 420 G C -2.374 172.290 174.900 -0.394 0.000 1.461 420 G CA -0.855 43.561 45.100 -1.141 0.000 0.817 420 G HN 0.024 nan 8.290 nan 0.000 0.556 421 Y N 0.687 120.739 120.300 -0.413 0.000 2.346 421 Y HA 0.745 5.299 4.550 0.006 0.000 0.332 421 Y C -1.042 174.923 175.900 0.108 0.000 0.985 421 Y CA -1.142 56.971 58.100 0.021 0.000 1.112 421 Y CB 1.443 40.023 38.460 0.200 0.000 1.170 421 Y HN 0.482 nan 8.280 nan 0.000 0.447 422 L N 7.002 128.036 121.223 -0.314 0.000 2.319 422 L HA 0.345 4.689 4.340 0.007 0.000 0.281 422 L C -0.620 176.118 176.870 -0.220 0.000 1.005 422 L CA -0.990 53.773 54.840 -0.129 0.000 0.828 422 L CB 1.116 43.135 42.059 -0.068 0.000 1.227 422 L HN 0.696 nan 8.230 nan 0.000 0.415 423 H N 3.361 122.407 119.070 -0.040 0.000 2.732 423 H HA 0.013 4.573 4.556 0.007 0.000 0.351 423 H C -0.700 174.745 175.328 0.195 0.000 1.090 423 H CA 0.122 56.236 56.048 0.109 0.000 1.431 423 H CB 0.957 30.898 29.762 0.298 0.000 1.447 423 H HN 0.564 nan 8.280 nan 0.000 0.582 424 W N 6.386 127.493 121.300 -0.321 0.000 2.605 424 W HA 0.244 4.907 4.660 0.007 0.000 0.327 424 W C -0.928 175.644 176.519 0.087 0.000 1.332 424 W CA -0.017 57.300 57.345 -0.047 0.000 1.403 424 W CB -0.233 29.250 29.460 0.038 0.000 1.452 424 W HN 0.804 nan 8.180 nan 0.000 0.503 425 S N 3.569 118.839 115.700 -0.718 0.000 3.152 425 S HA -0.310 4.164 4.470 0.007 0.000 0.857 425 S C 0.267 174.652 174.600 -0.358 0.000 1.044 425 S CA 0.114 57.945 58.200 -0.614 0.000 1.231 425 S CB -0.787 61.962 63.200 -0.751 0.000 0.871 425 S HN 0.753 nan 8.310 nan 0.000 0.252 426 L N 3.395 124.184 121.223 -0.724 0.000 2.131 426 L HA 0.201 4.546 4.340 0.007 0.000 0.206 426 L C 1.346 178.008 176.870 -0.347 0.000 1.087 426 L CA 2.531 56.913 54.840 -0.763 0.000 0.767 426 L CB -0.218 41.035 42.059 -1.343 0.000 0.917 426 L HN 1.006 nan 8.230 nan 0.000 0.441 427 T N -3.193 111.228 114.554 -0.221 0.000 2.930 427 T HA 0.391 4.746 4.350 0.007 0.000 0.290 427 T C -0.370 174.317 174.700 -0.022 0.000 1.052 427 T CA -0.999 61.050 62.100 -0.084 0.000 1.017 427 T CB 1.239 70.080 68.868 -0.044 0.000 1.137 427 T HN -0.009 nan 8.240 nan 0.000 0.511 428 D N 1.926 122.331 120.400 0.008 0.000 2.361 428 D HA 0.316 4.960 4.640 0.007 0.000 0.239 428 D C 0.392 176.766 176.300 0.123 0.000 1.200 428 D CA 0.166 54.246 54.000 0.132 0.000 0.915 428 D CB 0.493 41.431 40.800 0.230 0.000 1.170 428 D HN 0.771 nan 8.370 nan 0.000 0.444 429 N N -0.584 118.193 118.700 0.129 0.000 3.364 429 N HA 0.043 4.788 4.740 0.007 0.000 0.294 429 N C -1.399 174.096 175.510 -0.025 0.000 1.562 429 N CA -0.673 52.290 53.050 -0.144 0.000 0.862 429 N CB 0.629 38.382 38.487 -1.223 0.000 1.691 429 N HN 0.287 nan 8.380 nan 0.000 0.572 430 Y N 1.041 121.085 120.300 -0.425 0.000 2.539 430 Y HA 0.188 4.742 4.550 0.007 0.000 0.352 430 Y C 0.319 175.866 175.900 -0.588 0.000 1.004 430 Y CA -0.188 57.463 58.100 -0.747 0.000 1.278 430 Y CB 0.424 38.374 38.460 -0.849 0.000 1.136 430 Y HN 0.614 nan 8.280 nan 0.000 0.528 431 E N 6.623 126.447 120.200 -0.628 0.000 2.110 431 E HA 0.144 4.499 4.350 0.007 0.000 0.300 431 E C -0.380 176.058 176.600 -0.270 0.000 1.278 431 E CA -0.014 56.219 56.400 -0.279 0.000 1.365 431 E CB -0.570 29.146 29.700 0.027 0.000 1.283 431 E HN 0.713 nan 8.360 nan 0.000 0.490 432 W N 1.397 122.480 121.300 -0.363 0.000 2.164 432 W HA -0.475 4.189 4.660 0.007 0.000 0.291 432 W C 1.887 178.330 176.519 -0.126 0.000 1.276 432 W CA 1.519 58.711 57.345 -0.256 0.000 1.209 432 W CB -1.699 27.642 29.460 -0.198 0.000 0.887 432 W HN 0.382 nan 8.180 nan 0.000 0.530 433 A N -0.743 122.396 122.820 0.530 0.000 2.121 433 A HA -0.152 4.172 4.320 0.007 0.000 0.218 433 A C 1.752 179.428 177.584 0.152 0.000 1.154 433 A CA 2.068 54.355 52.037 0.418 0.000 0.679 433 A CB -0.602 18.719 19.000 0.535 0.000 0.795 433 A HN 0.510 nan 8.150 nan 0.000 0.458 434 Q N -0.966 118.881 119.800 0.078 0.000 2.432 434 Q HA 0.321 4.666 4.340 0.007 0.000 0.205 434 Q C 1.145 176.982 176.000 -0.272 0.000 0.945 434 Q CA 0.990 56.753 55.803 -0.067 0.000 0.924 434 Q CB -0.315 28.383 28.738 -0.067 0.000 1.016 434 Q HN 0.860 nan 8.270 nan 0.000 0.503 435 G N -0.460 108.010 108.800 -0.549 0.000 2.539 435 G HA2 -0.341 3.623 3.960 0.007 0.000 0.256 435 G HA3 -0.341 3.623 3.960 0.007 0.000 0.256 435 G C 0.135 174.557 174.900 -0.797 0.000 1.233 435 G CA 0.018 44.614 45.100 -0.838 0.000 0.936 435 G HN 0.292 nan 8.290 nan 0.000 0.571 436 F N 1.958 121.718 119.950 -0.317 0.000 2.776 436 F HA 0.195 4.727 4.527 0.007 0.000 0.300 436 F C 2.643 178.340 175.800 -0.172 0.000 1.116 436 F CA 1.156 58.978 58.000 -0.297 0.000 1.375 436 F CB -0.040 38.708 39.000 -0.421 0.000 1.109 436 F HN 0.503 nan 8.300 nan 0.000 0.585 437 R N -0.258 120.210 120.500 -0.055 0.000 2.328 437 R HA -0.064 4.281 4.340 0.007 0.000 0.207 437 R C 0.250 176.451 176.300 -0.165 0.000 1.056 437 R CA 0.614 56.660 56.100 -0.089 0.000 1.016 437 R CB -0.386 29.837 30.300 -0.128 0.000 0.872 437 R HN 0.092 nan 8.270 nan 0.000 0.471 438 Q N 1.672 121.359 119.800 -0.189 0.000 2.400 438 Q HA 0.262 4.607 4.340 0.007 0.000 0.255 438 Q C -1.540 174.432 176.000 -0.047 0.000 1.008 438 Q CA -0.399 55.244 55.803 -0.266 0.000 0.841 438 Q CB 1.712 30.213 28.738 -0.394 0.000 1.220 438 Q HN -0.037 nan 8.270 nan 0.000 0.474 439 K N 2.990 123.322 120.400 -0.114 0.000 2.281 439 K HA 0.315 4.639 4.320 0.007 0.000 0.272 439 K C -0.474 176.095 176.600 -0.052 0.000 1.048 439 K CA 0.050 56.350 56.287 0.023 0.000 0.898 439 K CB 0.536 33.048 32.500 0.020 0.000 1.128 439 K HN 0.509 nan 8.250 nan 0.000 0.460 440 F N 0.204 120.227 119.950 0.122 0.000 2.721 440 F HA 0.231 4.762 4.527 0.007 0.000 0.301 440 F C 1.472 177.339 175.800 0.112 0.000 1.096 440 F CA -0.484 57.621 58.000 0.174 0.000 1.308 440 F CB 0.340 39.586 39.000 0.411 0.000 1.086 440 F HN 0.611 nan 8.300 nan 0.000 0.587 441 G N 0.446 109.368 108.800 0.203 0.000 2.554 441 G HA2 0.192 4.157 3.960 0.007 0.000 0.238 441 G HA3 0.192 4.157 3.960 0.007 0.000 0.238 441 G C 0.861 175.808 174.900 0.079 0.000 1.259 441 G CA -0.368 44.783 45.100 0.085 0.000 0.843 441 G HN 0.268 nan 8.290 nan 0.000 0.582 442 L N 0.791 122.021 121.223 0.012 0.000 2.341 442 L HA 0.112 4.457 4.340 0.007 0.000 0.214 442 L C 0.390 177.243 176.870 -0.028 0.000 1.115 442 L CA 0.327 55.154 54.840 -0.022 0.000 0.820 442 L CB 0.064 42.026 42.059 -0.161 0.000 0.944 442 L HN 0.175 nan 8.230 nan 0.000 0.452 443 V N 0.851 120.734 119.914 -0.052 0.000 2.409 443 V HA 0.252 4.377 4.120 0.007 0.000 0.291 443 V C 0.245 176.322 176.094 -0.027 0.000 1.020 443 V CA -0.571 61.705 62.300 -0.040 0.000 0.848 443 V CB 1.879 33.652 31.823 -0.084 0.000 0.990 443 V HN 0.081 nan 8.190 nan 0.000 0.430 444 M N 5.560 125.168 119.600 0.014 0.000 2.238 444 M HA 0.449 4.934 4.480 0.007 0.000 0.347 444 M C -1.181 175.100 176.300 -0.033 0.000 1.173 444 M CA 0.357 55.661 55.300 0.005 0.000 1.147 444 M CB 1.321 33.941 32.600 0.033 0.000 1.547 444 M HN 0.431 nan 8.290 nan 0.000 0.455 445 V N 5.045 124.840 119.914 -0.199 0.000 2.483 445 V HA 0.202 4.326 4.120 0.007 0.000 0.297 445 V C -0.371 175.378 176.094 -0.575 0.000 1.027 445 V CA -0.975 61.069 62.300 -0.427 0.000 0.855 445 V CB 1.707 33.085 31.823 -0.742 0.000 0.995 445 V HN 0.785 nan 8.190 nan 0.000 0.424 446 D N 4.100 124.332 120.400 -0.279 0.000 2.374 446 D HA 0.173 4.817 4.640 0.007 0.000 0.240 446 D C 0.717 176.823 176.300 -0.322 0.000 1.229 446 D CA -0.121 53.766 54.000 -0.189 0.000 0.895 446 D CB 0.675 41.501 40.800 0.043 0.000 1.046 446 D HN 0.439 nan 8.370 nan 0.000 0.498 447 F N 2.613 122.462 119.950 -0.169 0.000 2.583 447 F HA -0.057 4.474 4.527 0.007 0.000 0.297 447 F C 2.424 178.118 175.800 -0.177 0.000 1.131 447 F CA 0.476 58.319 58.000 -0.261 0.000 1.467 447 F CB 0.071 38.722 39.000 -0.581 0.000 1.097 447 F HN 0.340 nan 8.300 nan 0.000 0.586 448 K N 0.438 120.837 120.400 -0.002 0.000 2.044 448 K HA -0.105 4.220 4.320 0.007 0.000 0.204 448 K C 2.151 178.747 176.600 -0.007 0.000 1.045 448 K CA 1.721 58.008 56.287 0.000 0.000 0.951 448 K CB -0.196 32.303 32.500 -0.002 0.000 0.738 448 K HN 0.270 nan 8.250 nan 0.000 0.443 449 T N -1.666 112.876 114.554 -0.019 0.000 3.057 449 T HA 0.140 4.494 4.350 0.007 0.000 0.254 449 T C 0.406 175.078 174.700 -0.048 0.000 1.094 449 T CA 0.064 62.152 62.100 -0.021 0.000 1.088 449 T CB 0.240 69.106 68.868 -0.004 0.000 0.934 449 T HN 0.144 nan 8.240 nan 0.000 0.497 450 K N 0.075 120.424 120.400 -0.086 0.000 3.467 450 K HA -0.112 4.212 4.320 0.007 0.000 0.309 450 K C -0.313 176.193 176.600 -0.157 0.000 1.350 450 K CA 0.733 56.949 56.287 -0.118 0.000 0.934 450 K CB -2.046 30.422 32.500 -0.052 0.000 1.312 450 K HN 0.554 nan 8.250 nan 0.000 0.461 451 K N 1.458 121.755 120.400 -0.171 0.000 2.270 451 K HA 0.239 4.563 4.320 0.007 0.000 0.276 451 K C 0.244 176.598 176.600 -0.410 0.000 1.023 451 K CA -0.348 55.762 56.287 -0.296 0.000 0.955 451 K CB 0.477 32.762 32.500 -0.360 0.000 0.975 451 K HN -0.046 nan 8.250 nan 0.000 0.471 452 R N 1.880 122.106 120.500 -0.457 0.000 2.346 452 R HA 0.308 4.653 4.340 0.007 0.000 0.311 452 R C -1.164 174.823 176.300 -0.522 0.000 0.983 452 R CA -0.346 55.538 56.100 -0.360 0.000 0.880 452 R CB 0.467 30.644 30.300 -0.204 0.000 1.100 452 R HN 0.438 nan 8.270 nan 0.000 0.453 453 Y N 2.080 122.328 120.300 -0.087 0.000 2.376 453 Y HA 0.384 4.938 4.550 0.007 0.000 0.340 453 Y C -0.079 175.791 175.900 -0.050 0.000 0.965 453 Y CA -0.923 57.140 58.100 -0.061 0.000 1.078 453 Y CB 1.375 39.795 38.460 -0.066 0.000 1.193 453 Y HN 0.259 nan 8.280 nan 0.000 0.452 454 L N 4.888 126.178 121.223 0.111 0.000 2.360 454 L HA 0.382 4.727 4.340 0.007 0.000 0.276 454 L C 0.356 177.267 176.870 0.068 0.000 1.121 454 L CA -0.171 54.707 54.840 0.064 0.000 0.845 454 L CB 0.334 42.424 42.059 0.053 0.000 1.143 454 L HN 0.576 nan 8.230 nan 0.000 0.452 455 R N 3.690 124.219 120.500 0.048 0.000 2.500 455 R HA 0.238 4.582 4.340 0.007 0.000 0.277 455 R C -1.593 174.737 176.300 0.050 0.000 1.026 455 R CA -1.725 54.401 56.100 0.043 0.000 1.058 455 R CB 0.852 31.174 30.300 0.036 0.000 1.078 455 R HN 0.310 nan 8.270 nan 0.000 0.509 456 P HA -0.224 nan 4.420 nan 0.000 0.217 456 P C 1.133 178.476 177.300 0.073 0.000 1.148 456 P CA 1.520 64.655 63.100 0.058 0.000 0.828 456 P CB 0.190 31.922 31.700 0.053 0.000 0.783 457 S N -0.547 115.198 115.700 0.075 0.000 2.400 457 S HA -0.190 4.284 4.470 0.007 0.000 0.232 457 S C 2.088 176.751 174.600 0.105 0.000 1.025 457 S CA 1.226 59.481 58.200 0.092 0.000 0.993 457 S CB -1.459 61.796 63.200 0.091 0.000 0.808 457 S HN 0.140 nan 8.310 nan 0.000 0.478 458 A N 2.273 125.140 122.820 0.077 0.000 1.908 458 A HA 0.082 4.406 4.320 0.007 0.000 0.218 458 A C 2.325 180.005 177.584 0.160 0.000 1.181 458 A CA 1.515 53.605 52.037 0.087 0.000 0.627 458 A CB -0.871 18.152 19.000 0.038 0.000 0.818 458 A HN 0.555 nan 8.150 nan 0.000 0.445 459 L N -0.563 120.732 121.223 0.120 0.000 2.046 459 L HA -0.159 4.185 4.340 0.007 0.000 0.208 459 L C 2.502 179.447 176.870 0.125 0.000 1.077 459 L CA 1.108 56.017 54.840 0.114 0.000 0.747 459 L CB -0.693 41.415 42.059 0.082 0.000 0.896 459 L HN 0.244 nan 8.230 nan 0.000 0.432 460 V N -0.396 119.593 119.914 0.124 0.000 2.407 460 V HA -0.314 3.811 4.120 0.007 0.000 0.248 460 V C 2.257 178.430 176.094 0.131 0.000 1.055 460 V CA 1.887 64.252 62.300 0.108 0.000 1.049 460 V CB -0.644 31.239 31.823 0.101 0.000 0.662 460 V HN 0.322 nan 8.190 nan 0.000 0.455 461 F N 1.201 121.176 119.950 0.042 0.000 2.102 461 F HA -0.182 4.350 4.527 0.009 0.000 0.298 461 F C 2.679 178.533 175.800 0.090 0.000 1.105 461 F CA 2.205 60.242 58.000 0.060 0.000 1.239 461 F CB -0.319 38.707 39.000 0.042 0.000 0.991 461 F HN -0.070 nan 8.300 nan 0.000 0.474 462 R N 0.506 121.154 120.500 0.245 0.000 2.091 462 R HA -0.184 4.160 4.340 0.007 0.000 0.238 462 R C 2.077 178.405 176.300 0.048 0.000 1.136 462 R CA 1.908 58.100 56.100 0.153 0.000 0.959 462 R CB -0.471 29.930 30.300 0.169 0.000 0.856 462 R HN 0.291 nan 8.270 nan 0.000 0.437 463 E N 0.708 120.936 120.200 0.046 0.000 2.058 463 E HA -0.202 4.152 4.350 0.007 0.000 0.194 463 E C 2.129 178.734 176.600 0.008 0.000 0.997 463 E CA 1.379 57.799 56.400 0.033 0.000 0.801 463 E CB -0.295 29.418 29.700 0.022 0.000 0.746 463 E HN 0.486 nan 8.360 nan 0.000 0.450 464 I N 0.976 121.510 120.570 -0.060 0.000 2.202 464 I HA -0.245 3.929 4.170 0.007 0.000 0.242 464 I C 2.530 178.613 176.117 -0.058 0.000 1.091 464 I CA 1.073 62.325 61.300 -0.080 0.000 1.368 464 I CB -0.388 37.526 38.000 -0.143 0.000 1.058 464 I HN 0.002 nan 8.210 nan 0.000 0.410 465 A N 0.294 122.990 122.820 -0.207 0.000 1.902 465 A HA -0.210 4.114 4.320 0.007 0.000 0.217 465 A C 2.386 179.991 177.584 0.036 0.000 1.181 465 A CA 2.503 54.469 52.037 -0.118 0.000 0.623 465 A CB -1.114 17.776 19.000 -0.184 0.000 0.818 465 A HN 0.373 nan 8.150 nan 0.000 0.443 466 T N -1.414 113.168 114.554 0.047 0.000 2.788 466 T HA -0.135 4.220 4.350 0.007 0.000 0.268 466 T C 1.830 176.582 174.700 0.087 0.000 1.044 466 T CA 1.493 63.635 62.100 0.071 0.000 1.139 466 T CB -0.352 68.558 68.868 0.069 0.000 0.867 466 T HN 0.654 nan 8.240 nan 0.000 0.454 467 H N 1.374 120.448 119.070 0.007 0.000 2.548 467 H HA 0.140 4.702 4.556 0.009 0.000 0.265 467 H C 1.024 176.370 175.328 0.029 0.000 0.969 467 H CA 0.372 56.421 56.048 0.002 0.000 1.155 467 H CB -0.470 29.275 29.762 -0.027 0.000 1.394 467 H HN 0.470 nan 8.280 nan 0.000 0.570 468 N N -0.233 118.595 118.700 0.214 0.000 2.725 468 N HA -0.187 4.558 4.740 0.007 0.000 0.251 468 N C -0.023 175.707 175.510 0.368 0.000 1.031 468 N CA 0.369 53.583 53.050 0.273 0.000 0.720 468 N CB -0.888 37.724 38.487 0.207 0.000 0.930 468 N HN 0.718 nan 8.380 nan 0.000 0.543 469 G N -0.370 108.620 108.800 0.317 0.000 2.333 469 G HA2 0.323 4.287 3.960 0.007 0.000 0.288 469 G HA3 0.323 4.287 3.960 0.007 0.000 0.288 469 G C -1.318 173.494 174.900 -0.147 0.000 1.286 469 G CA -0.659 44.482 45.100 0.069 0.000 0.865 469 G HN 0.172 nan 8.290 nan 0.000 0.506 470 I N 3.111 123.448 120.570 -0.388 0.000 2.330 470 I HA 0.305 4.479 4.170 0.007 0.000 0.286 470 I C -1.905 173.844 176.117 -0.613 0.000 1.025 470 I CA -1.877 59.174 61.300 -0.414 0.000 1.197 470 I CB 1.836 39.630 38.000 -0.343 0.000 1.358 470 I HN 0.195 nan 8.210 nan 0.000 0.467 471 P HA 0.018 nan 4.420 nan 0.000 0.268 471 P C -0.218 176.885 177.300 -0.329 0.000 1.208 471 P CA -0.050 62.661 63.100 -0.648 0.000 0.777 471 P CB 1.178 32.639 31.700 -0.397 0.000 0.875 472 D N 1.600 121.862 120.400 -0.231 0.000 2.116 472 D HA -0.217 4.427 4.640 0.007 0.000 0.193 472 D C 1.708 177.942 176.300 -0.110 0.000 0.998 472 D CA 1.711 55.615 54.000 -0.159 0.000 0.836 472 D CB -0.534 40.203 40.800 -0.106 0.000 0.951 472 D HN 0.636 nan 8.370 nan 0.000 0.449 473 E N 0.269 120.418 120.200 -0.085 0.000 2.455 473 E HA -0.139 4.215 4.350 0.007 0.000 0.202 473 E C 1.436 178.041 176.600 0.009 0.000 1.045 473 E CA 0.621 56.994 56.400 -0.046 0.000 0.872 473 E CB -0.233 29.445 29.700 -0.037 0.000 0.792 473 E HN 0.346 nan 8.360 nan 0.000 0.542 474 L N 0.367 121.583 121.223 -0.011 0.000 3.016 474 L HA 0.106 4.451 4.340 0.007 0.000 0.267 474 L C 1.680 178.532 176.870 -0.031 0.000 1.182 474 L CA -0.270 54.597 54.840 0.046 0.000 0.997 474 L CB 0.406 42.436 42.059 -0.049 0.000 1.354 474 L HN -0.067 nan 8.230 nan 0.000 0.569 475 Q N 0.559 120.324 119.800 -0.059 0.000 2.297 475 Q HA -0.202 4.143 4.340 0.007 0.000 0.208 475 Q C 1.981 177.901 176.000 -0.132 0.000 0.981 475 Q CA 1.420 57.127 55.803 -0.159 0.000 0.876 475 Q CB -0.300 28.335 28.738 -0.170 0.000 0.921 475 Q HN 0.705 nan 8.270 nan 0.000 0.446 476 H N -0.571 118.415 119.070 -0.141 0.000 2.491 476 H HA -0.014 4.547 4.556 0.007 0.000 0.290 476 H C 1.495 176.765 175.328 -0.097 0.000 1.050 476 H CA 0.580 56.561 56.048 -0.111 0.000 1.309 476 H CB -0.525 29.193 29.762 -0.073 0.000 1.392 476 H HN 0.205 nan 8.280 nan 0.000 0.554 477 L N 2.314 123.124 121.223 -0.687 0.000 2.645 477 L HA 0.021 4.365 4.340 0.007 0.000 0.235 477 L C 1.709 178.429 176.870 -0.250 0.000 1.150 477 L CA 0.735 55.283 54.840 -0.487 0.000 0.911 477 L CB -0.108 41.665 42.059 -0.476 0.000 1.077 477 L HN 0.362 nan 8.230 nan 0.000 0.438 478 T N -3.780 110.610 114.554 -0.273 0.000 3.129 478 T HA 0.147 4.501 4.350 0.007 0.000 0.251 478 T C 1.244 175.829 174.700 -0.191 0.000 1.117 478 T CA 0.060 61.990 62.100 -0.283 0.000 1.034 478 T CB 0.083 68.562 68.868 -0.648 0.000 0.968 478 T HN 0.160 nan 8.240 nan 0.000 0.526 479 L N -0.265 120.874 121.223 -0.141 0.000 2.338 479 L HA 0.538 4.882 4.340 0.007 0.000 0.202 479 L C 1.156 178.013 176.870 -0.020 0.000 1.208 479 L CA -0.218 54.580 54.840 -0.071 0.000 2.369 479 L CB -0.145 41.886 42.059 -0.047 0.000 2.113 479 L HN 0.175 nan 8.230 nan 0.000 1.047 480 I N -2.873 117.703 120.570 0.010 0.000 3.600 480 I HA 0.287 4.461 4.170 0.007 0.000 0.302 480 I C -0.989 175.170 176.117 0.070 0.000 1.175 480 I CA -0.808 60.525 61.300 0.055 0.000 1.059 480 I CB 1.826 39.870 38.000 0.073 0.000 1.359 480 I HN 0.241 nan 8.210 nan 0.000 0.468 481 Q N 0.000 119.859 119.800 0.098 0.000 2.315 481 Q HA 0.000 4.344 4.340 0.007 0.000 0.214 481 Q CA 0.000 55.863 55.803 0.099 0.000 1.022 481 Q CB 0.000 28.818 28.738 0.133 0.000 1.108 481 Q HN 0.000 nan 8.270 nan 0.000 0.481