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 2vmz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE GVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.220 176.300 -0.133 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 K N 0.457 120.750 120.400 -0.179 0.000 2.344 2 K HA 0.235 4.573 4.320 0.030 0.000 0.200 2 K C 0.631 176.921 176.600 -0.517 0.000 1.132 2 K CA 0.722 56.762 56.287 -0.411 0.000 0.935 2 K CB 0.537 32.678 32.500 -0.598 0.000 1.089 2 K HN 0.653 nan 8.250 nan 0.000 0.496 3 Y N 0.127 120.352 120.300 -0.124 0.000 2.441 3 Y HA 0.048 4.603 4.550 0.009 0.000 0.288 3 Y C 1.816 177.636 175.900 -0.134 0.000 1.118 3 Y CA 0.031 58.065 58.100 -0.111 0.000 1.215 3 Y CB -0.053 38.364 38.460 -0.072 0.000 1.118 3 Y HN -0.008 nan 8.280 nan 0.000 0.547 4 L N 1.512 122.735 121.223 0.001 0.000 2.042 4 L HA -0.091 4.267 4.340 0.030 0.000 0.210 4 L C -0.912 175.840 176.870 -0.196 0.000 1.076 4 L CA 2.040 56.854 54.840 -0.043 0.000 0.749 4 L CB -1.586 40.497 42.059 0.040 0.000 0.893 4 L HN 0.005 nan 8.230 nan 0.000 0.432 5 P HA -0.199 nan 4.420 nan 0.000 0.216 5 P C 1.438 178.575 177.300 -0.272 0.000 1.150 5 P CA 1.288 63.939 63.100 -0.747 0.000 0.837 5 P CB 0.069 31.122 31.700 -1.077 0.000 0.786 6 Q N -0.384 119.295 119.800 -0.201 0.000 2.096 6 Q HA -0.158 4.200 4.340 0.030 0.000 0.197 6 Q C 2.300 178.275 176.000 -0.041 0.000 0.964 6 Q CA 1.542 57.285 55.803 -0.099 0.000 0.838 6 Q CB -0.921 27.764 28.738 -0.090 0.000 0.906 6 Q HN 0.028 nan 8.270 nan 0.000 0.444 7 Q N 0.242 120.028 119.800 -0.023 0.000 2.079 7 Q HA -0.059 4.299 4.340 0.030 0.000 0.200 7 Q C -0.341 175.666 176.000 0.012 0.000 0.974 7 Q CA 1.632 57.438 55.803 0.006 0.000 0.840 7 Q CB 0.239 28.992 28.738 0.024 0.000 0.898 7 Q HN 0.203 nan 8.270 nan 0.000 0.430 8 D N -1.361 119.051 120.400 0.021 0.000 2.517 8 D HA 0.205 4.863 4.640 0.030 0.000 0.263 8 D C -2.242 174.111 176.300 0.089 0.000 1.233 8 D CA -1.713 52.316 54.000 0.048 0.000 0.849 8 D CB 1.250 42.083 40.800 0.055 0.000 1.261 8 D HN -0.029 nan 8.370 nan 0.000 0.516 9 P HA -0.172 nan 4.420 nan 0.000 0.216 9 P C 1.448 178.828 177.300 0.134 0.000 1.153 9 P CA 1.295 64.469 63.100 0.123 0.000 0.858 9 P CB 0.536 32.280 31.700 0.074 0.000 0.789 10 Q N -0.798 119.051 119.800 0.083 0.000 2.020 10 Q HA -0.118 4.240 4.340 0.030 0.000 0.202 10 Q C 2.150 178.187 176.000 0.062 0.000 0.982 10 Q CA 1.477 57.315 55.803 0.059 0.000 0.838 10 Q CB -0.870 27.891 28.738 0.038 0.000 0.899 10 Q HN 0.100 nan 8.270 nan 0.000 0.423 11 V N 0.588 120.549 119.914 0.078 0.000 2.295 11 V HA -0.249 3.889 4.120 0.030 0.000 0.246 11 V C 1.964 178.122 176.094 0.107 0.000 1.049 11 V CA 1.791 64.137 62.300 0.076 0.000 1.024 11 V CB -0.639 31.229 31.823 0.075 0.000 0.648 11 V HN 0.311 nan 8.190 nan 0.000 0.447 12 F N 1.596 121.548 119.950 0.004 0.000 2.095 12 F HA -0.194 4.340 4.527 0.012 0.000 0.298 12 F C 2.301 178.102 175.800 0.001 0.000 1.104 12 F CA 1.424 59.425 58.000 0.003 0.000 1.232 12 F CB -0.703 38.298 39.000 0.001 0.000 0.987 12 F HN 0.077 nan 8.300 nan 0.000 0.475 13 A N 0.281 123.067 122.820 -0.055 0.000 1.908 13 A HA -0.103 4.235 4.320 0.030 0.000 0.218 13 A C 2.427 179.913 177.584 -0.164 0.000 1.181 13 A CA 2.044 53.993 52.037 -0.146 0.000 0.627 13 A CB -1.581 17.407 19.000 -0.020 0.000 0.818 13 A HN 0.517 nan 8.150 nan 0.000 0.445 14 A N -0.229 122.535 122.820 -0.093 0.000 1.898 14 A HA -0.026 4.312 4.320 0.030 0.000 0.216 14 A C 2.120 179.644 177.584 -0.100 0.000 1.181 14 A CA 1.399 53.392 52.037 -0.072 0.000 0.620 14 A CB -0.562 18.420 19.000 -0.030 0.000 0.819 14 A HN 0.490 nan 8.150 nan 0.000 0.442 15 I N -0.305 120.190 120.570 -0.125 0.000 2.226 15 I HA -0.226 3.961 4.170 0.030 0.000 0.245 15 I C 2.458 178.457 176.117 -0.197 0.000 1.100 15 I CA 1.268 62.493 61.300 -0.125 0.000 1.374 15 I CB -0.330 37.625 38.000 -0.076 0.000 1.057 15 I HN 0.306 nan 8.210 nan 0.000 0.413 16 E N 0.624 120.602 120.200 -0.370 0.000 2.077 16 E HA -0.246 4.122 4.350 0.030 0.000 0.193 16 E C 2.158 178.646 176.600 -0.187 0.000 0.989 16 E CA 1.225 57.412 56.400 -0.355 0.000 0.800 16 E CB -0.278 29.087 29.700 -0.559 0.000 0.746 16 E HN 0.598 nan 8.360 nan 0.000 0.452 17 Q N 0.314 120.023 119.800 -0.151 0.000 2.096 17 Q HA -0.215 4.143 4.340 0.030 0.000 0.204 17 Q C 2.154 178.123 176.000 -0.053 0.000 0.982 17 Q CA 1.675 57.429 55.803 -0.082 0.000 0.850 17 Q CB -0.115 28.585 28.738 -0.063 0.000 0.901 17 Q HN 0.106 nan 8.270 nan 0.000 0.422 18 E N 1.086 121.255 120.200 -0.053 0.000 2.072 18 E HA -0.197 4.171 4.350 0.030 0.000 0.191 18 E C 1.823 178.419 176.600 -0.007 0.000 0.985 18 E CA 1.319 57.707 56.400 -0.019 0.000 0.801 18 E CB -0.075 29.616 29.700 -0.015 0.000 0.750 18 E HN 0.178 nan 8.360 nan 0.000 0.452 19 R N 0.240 120.720 120.500 -0.033 0.000 2.083 19 R HA -0.147 4.211 4.340 0.030 0.000 0.237 19 R C 2.146 178.437 176.300 -0.015 0.000 1.137 19 R CA 2.009 58.092 56.100 -0.028 0.000 0.951 19 R CB -0.073 30.192 30.300 -0.058 0.000 0.851 19 R HN 0.086 nan 8.270 nan 0.000 0.434 20 K N -0.323 120.062 120.400 -0.025 0.000 2.097 20 K HA -0.125 4.213 4.320 0.030 0.000 0.205 20 K C 2.269 178.897 176.600 0.047 0.000 1.050 20 K CA 1.080 57.369 56.287 0.004 0.000 0.938 20 K CB -0.174 32.314 32.500 -0.020 0.000 0.718 20 K HN 0.137 nan 8.250 nan 0.000 0.442 21 R N 1.595 122.111 120.500 0.027 0.000 2.083 21 R HA -0.188 4.170 4.340 0.030 0.000 0.237 21 R C 2.108 178.440 176.300 0.053 0.000 1.137 21 R CA 1.734 57.856 56.100 0.037 0.000 0.951 21 R CB -0.063 30.253 30.300 0.027 0.000 0.851 21 R HN 0.291 nan 8.270 nan 0.000 0.434 22 Q N -1.331 118.506 119.800 0.063 0.000 2.181 22 Q HA -0.237 4.121 4.340 0.030 0.000 0.205 22 Q C 1.894 177.875 176.000 -0.032 0.000 0.980 22 Q CA 1.886 57.738 55.803 0.083 0.000 0.862 22 Q CB -0.162 28.644 28.738 0.113 0.000 0.905 22 Q HN 0.550 nan 8.270 nan 0.000 0.429 23 H N -0.258 118.746 119.070 -0.110 0.000 2.372 23 H HA 0.087 4.660 4.556 0.029 0.000 0.301 23 H C 1.817 177.115 175.328 -0.049 0.000 1.065 23 H CA 1.393 57.367 56.048 -0.124 0.000 1.364 23 H CB 0.079 29.781 29.762 -0.099 0.000 1.406 23 H HN 0.203 nan 8.280 nan 0.000 0.521 24 A N 1.062 123.868 122.820 -0.023 0.000 1.929 24 A HA 0.033 4.371 4.320 0.030 0.000 0.216 24 A C 0.990 178.545 177.584 -0.047 0.000 1.176 24 A CA 0.565 52.580 52.037 -0.036 0.000 0.628 24 A CB -0.013 19.015 19.000 0.047 0.000 0.816 24 A HN 0.175 nan 8.150 nan 0.000 0.444 25 K N -0.122 120.268 120.400 -0.017 0.000 2.098 25 K HA 0.484 4.822 4.320 0.030 0.000 0.257 25 K C -0.703 175.900 176.600 0.005 0.000 0.999 25 K CA -0.339 55.953 56.287 0.009 0.000 0.924 25 K CB 1.000 33.520 32.500 0.033 0.000 1.028 25 K HN 0.254 nan 8.250 nan 0.000 0.466 26 I N 2.140 122.725 120.570 0.024 0.000 2.291 26 I HA 0.019 4.207 4.170 0.030 0.000 0.292 26 I C 0.403 176.530 176.117 0.017 0.000 1.064 26 I CA -0.545 60.766 61.300 0.018 0.000 1.269 26 I CB 0.585 38.630 38.000 0.075 0.000 1.418 26 I HN 0.417 nan 8.210 nan 0.000 0.485 27 E N 7.312 127.524 120.200 0.020 0.000 2.052 27 E HA 0.213 4.581 4.350 0.030 0.000 0.283 27 E C -0.068 176.525 176.600 -0.013 0.000 1.071 27 E CA 0.144 56.558 56.400 0.024 0.000 0.851 27 E CB 0.550 30.289 29.700 0.065 0.000 1.066 27 E HN 0.582 nan 8.360 nan 0.000 0.396 28 L N 4.897 126.116 121.223 -0.007 0.000 2.808 28 L HA 0.346 4.704 4.340 0.030 0.000 0.246 28 L C 0.318 177.186 176.870 -0.002 0.000 1.153 28 L CA -0.380 54.456 54.840 -0.007 0.000 0.956 28 L CB 0.114 42.169 42.059 -0.007 0.000 1.270 28 L HN 0.538 nan 8.230 nan 0.000 0.528 29 I N 1.084 121.652 120.570 -0.002 0.000 2.662 29 I HA -0.079 4.109 4.170 0.030 0.000 0.285 29 I C 1.639 177.783 176.117 0.046 0.000 1.161 29 I CA 0.020 61.330 61.300 0.017 0.000 1.415 29 I CB 1.362 39.370 38.000 0.013 0.000 1.385 29 I HN 0.158 nan 8.210 nan 0.000 0.552 30 A N 4.624 127.503 122.820 0.098 0.000 2.070 30 A HA -0.153 4.185 4.320 0.030 0.000 0.220 30 A C 2.185 179.935 177.584 0.277 0.000 1.159 30 A CA 1.822 53.975 52.037 0.193 0.000 0.656 30 A CB -0.436 18.663 19.000 0.165 0.000 0.800 30 A HN 0.815 nan 8.150 nan 0.000 0.453 31 S N -0.606 115.201 115.700 0.178 0.000 2.558 31 S HA 0.091 4.579 4.470 0.030 0.000 0.217 31 S C 0.395 174.971 174.600 -0.040 0.000 0.975 31 S CA -0.207 57.970 58.200 -0.039 0.000 0.912 31 S CB 0.018 63.202 63.200 -0.027 0.000 0.776 31 S HN 0.473 nan 8.310 nan 0.000 0.526 32 E N 2.118 122.296 120.200 -0.038 0.000 2.319 32 E HA 0.522 4.890 4.350 0.030 0.000 0.268 32 E C -0.364 176.109 176.600 -0.212 0.000 1.050 32 E CA -0.309 56.012 56.400 -0.132 0.000 0.878 32 E CB 0.781 30.372 29.700 -0.181 0.000 1.066 32 E HN 0.246 nan 8.360 nan 0.000 0.406 33 N N 0.163 118.657 118.700 -0.343 0.000 3.106 33 N HA 0.376 5.134 4.740 0.030 0.000 0.253 33 N C -1.831 173.301 175.510 -0.629 0.000 1.506 33 N CA -0.531 52.277 53.050 -0.404 0.000 0.876 33 N CB 0.907 39.343 38.487 -0.085 0.000 1.452 33 N HN 0.162 nan 8.380 nan 0.000 0.542 34 F N 1.068 121.029 119.950 0.017 0.000 2.460 34 F HA 0.357 4.898 4.527 0.022 0.000 0.341 34 F C 0.662 176.456 175.800 -0.009 0.000 1.130 34 F CA -0.890 57.109 58.000 -0.001 0.000 0.962 34 F CB 1.150 40.142 39.000 -0.013 0.000 1.171 34 F HN 0.147 nan 8.300 nan 0.000 0.436 35 V N 0.463 120.466 119.914 0.148 0.000 3.003 35 V HA 0.620 4.758 4.120 0.030 0.000 0.305 35 V C 0.457 176.592 176.094 0.068 0.000 1.078 35 V CA -0.787 61.560 62.300 0.078 0.000 1.083 35 V CB 1.082 32.931 31.823 0.044 0.000 1.039 35 V HN 0.832 nan 8.190 nan 0.000 0.481 36 S N 2.879 118.600 115.700 0.034 0.000 2.600 36 S HA 0.310 4.798 4.470 0.030 0.000 0.265 36 S C 0.934 175.545 174.600 0.018 0.000 1.325 36 S CA -0.073 58.140 58.200 0.022 0.000 1.002 36 S CB 0.623 63.828 63.200 0.009 0.000 0.921 36 S HN 0.772 nan 8.310 nan 0.000 0.554 37 R N 0.933 121.442 120.500 0.014 0.000 2.096 37 R HA -0.082 4.276 4.340 0.030 0.000 0.235 37 R C 2.597 178.901 176.300 0.007 0.000 1.127 37 R CA 1.367 57.474 56.100 0.012 0.000 0.968 37 R CB -1.010 29.295 30.300 0.009 0.000 0.861 37 R HN 0.829 nan 8.270 nan 0.000 0.440 38 A N 0.676 123.496 122.820 0.001 0.000 1.902 38 A HA -0.131 4.207 4.320 0.030 0.000 0.217 38 A C 2.346 179.923 177.584 -0.013 0.000 1.181 38 A CA 1.448 53.481 52.037 -0.006 0.000 0.623 38 A CB -0.559 18.436 19.000 -0.009 0.000 0.818 38 A HN 0.121 nan 8.150 nan 0.000 0.443 39 V N -0.102 119.802 119.914 -0.016 0.000 2.295 39 V HA -0.335 3.803 4.120 0.030 0.000 0.246 39 V C 2.664 178.748 176.094 -0.016 0.000 1.049 39 V CA 2.339 64.621 62.300 -0.029 0.000 1.024 39 V CB -0.681 31.124 31.823 -0.030 0.000 0.648 39 V HN 0.585 nan 8.190 nan 0.000 0.447 40 M N -0.759 118.842 119.600 0.001 0.000 2.117 40 M HA -0.223 4.275 4.480 0.030 0.000 0.262 40 M C 2.223 178.532 176.300 0.014 0.000 1.065 40 M CA 1.917 57.223 55.300 0.011 0.000 1.114 40 M CB -0.564 32.049 32.600 0.021 0.000 1.361 40 M HN 0.373 nan 8.290 nan 0.000 0.408 41 E N 0.376 120.582 120.200 0.010 0.000 2.085 41 E HA -0.207 4.160 4.350 0.030 0.000 0.194 41 E C 2.076 178.682 176.600 0.009 0.000 0.994 41 E CA 1.386 57.792 56.400 0.010 0.000 0.801 41 E CB -0.195 29.509 29.700 0.006 0.000 0.743 41 E HN 0.527 nan 8.360 nan 0.000 0.453 42 A N 1.323 124.144 122.820 0.001 0.000 1.902 42 A HA -0.254 4.083 4.320 0.030 0.000 0.217 42 A C 2.054 179.657 177.584 0.032 0.000 1.181 42 A CA 1.409 53.447 52.037 0.002 0.000 0.623 42 A CB -0.448 18.537 19.000 -0.024 0.000 0.818 42 A HN 0.203 nan 8.150 nan 0.000 0.443 43 Q N -0.972 118.847 119.800 0.032 0.000 2.224 43 Q HA -0.097 4.261 4.340 0.030 0.000 0.203 43 Q C 1.710 177.783 176.000 0.121 0.000 0.970 43 Q CA 1.095 56.950 55.803 0.087 0.000 0.865 43 Q CB -0.312 28.453 28.738 0.044 0.000 0.922 43 Q HN 0.656 nan 8.270 nan 0.000 0.445 44 G N 1.181 110.013 108.800 0.053 0.000 3.314 44 G HA2 0.049 4.027 3.960 0.030 0.000 0.238 44 G HA3 0.049 4.027 3.960 0.030 0.000 0.238 44 G C 0.332 175.227 174.900 -0.007 0.000 1.184 44 G CA 0.018 45.131 45.100 0.021 0.000 0.806 44 G HN 0.265 nan 8.290 nan 0.000 0.536 45 S N -0.768 114.932 115.700 0.000 0.000 2.707 45 S HA 0.285 4.773 4.470 0.030 0.000 0.276 45 S C 1.566 176.127 174.600 -0.064 0.000 1.179 45 S CA 0.043 58.231 58.200 -0.019 0.000 0.992 45 S CB 1.506 64.709 63.200 0.005 0.000 1.030 45 S HN 0.550 nan 8.310 nan 0.000 0.554 46 V N -0.779 119.100 119.914 -0.059 0.000 3.383 46 V HA 0.030 4.168 4.120 0.030 0.000 0.272 46 V C 1.634 177.685 176.094 -0.071 0.000 1.181 46 V CA 0.885 63.139 62.300 -0.076 0.000 1.171 46 V CB -1.410 30.380 31.823 -0.056 0.000 0.800 46 V HN 0.686 nan 8.190 nan 0.000 0.515 47 L N 0.995 122.195 121.223 -0.038 0.000 2.353 47 L HA -0.078 4.280 4.340 0.030 0.000 0.220 47 L C 2.755 179.604 176.870 -0.034 0.000 1.133 47 L CA 2.273 57.116 54.840 0.006 0.000 0.798 47 L CB -1.294 40.808 42.059 0.071 0.000 0.922 47 L HN 0.541 nan 8.230 nan 0.000 0.445 48 T N -1.026 113.365 114.554 -0.272 0.000 2.849 48 T HA -0.189 4.179 4.350 0.030 0.000 0.270 48 T C 1.575 176.144 174.700 -0.218 0.000 1.066 48 T CA 1.790 63.582 62.100 -0.513 0.000 1.130 48 T CB -0.393 67.944 68.868 -0.886 0.000 0.864 48 T HN 0.529 nan 8.240 nan 0.000 0.481 49 N N -0.049 118.568 118.700 -0.139 0.000 2.550 49 N HA 0.023 4.781 4.740 0.030 0.000 0.186 49 N C 0.313 175.806 175.510 -0.027 0.000 1.110 49 N CA 0.220 53.225 53.050 -0.075 0.000 0.912 49 N CB 0.141 38.596 38.487 -0.054 0.000 0.968 49 N HN 0.136 nan 8.380 nan 0.000 0.448 50 K N 0.726 121.111 120.400 -0.024 0.000 2.240 50 K HA 0.172 4.509 4.320 0.030 0.000 0.271 50 K C -1.494 175.114 176.600 0.013 0.000 1.018 50 K CA -0.537 55.768 56.287 0.030 0.000 0.874 50 K CB 0.245 32.771 32.500 0.043 0.000 1.098 50 K HN -0.076 nan 8.250 nan 0.000 0.458 51 Y N 2.332 122.686 120.300 0.090 0.000 2.402 51 Y HA 0.340 4.912 4.550 0.037 0.000 0.333 51 Y C 0.522 176.480 175.900 0.096 0.000 1.076 51 Y CA 0.462 58.639 58.100 0.128 0.000 1.299 51 Y CB 1.388 40.027 38.460 0.299 0.000 1.197 51 Y HN 0.718 nan 8.280 nan 0.000 0.517 52 A N 4.114 127.006 122.820 0.121 0.000 3.045 52 A HA 0.258 4.596 4.320 0.030 0.000 0.244 52 A C -0.211 177.252 177.584 -0.201 0.000 0.917 52 A CA -0.591 51.435 52.037 -0.019 0.000 1.075 52 A CB -0.340 18.632 19.000 -0.047 0.000 1.202 52 A HN 0.782 nan 8.150 nan 0.000 0.486 53 E N 0.283 120.328 120.200 -0.259 0.000 2.502 53 E HA 0.368 4.736 4.350 0.030 0.000 0.261 53 E C 1.021 177.300 176.600 -0.535 0.000 0.974 53 E CA 1.459 57.456 56.400 -0.672 0.000 0.936 53 E CB 0.522 29.781 29.700 -0.735 0.000 0.926 53 E HN 1.084 nan 8.360 nan 0.000 0.459 54 G N 1.563 109.918 108.800 -0.742 0.000 2.451 54 G HA2 -0.205 3.773 3.960 0.030 0.000 0.208 54 G HA3 -0.205 3.773 3.960 0.030 0.000 0.208 54 G C -1.496 172.994 174.900 -0.683 0.000 1.248 54 G CA -0.727 44.157 45.100 -0.358 0.000 0.989 54 G HN 0.437 nan 8.290 nan 0.000 0.559 55 Y N -0.184 120.069 120.300 -0.078 0.000 2.609 55 Y HA 0.603 5.172 4.550 0.031 0.000 0.342 55 Y C -2.072 173.796 175.900 -0.053 0.000 1.058 55 Y CA -1.856 56.225 58.100 -0.032 0.000 1.055 55 Y CB 2.007 40.486 38.460 0.031 0.000 1.292 55 Y HN 0.425 nan 8.280 nan 0.000 0.476 56 P HA 0.029 nan 4.420 nan 0.000 0.260 56 P C 0.614 177.935 177.300 0.036 0.000 1.172 56 P CA 2.231 65.365 63.100 0.056 0.000 0.760 56 P CB 0.162 31.905 31.700 0.072 0.000 0.773 57 G N 3.233 112.027 108.800 -0.008 0.000 2.184 57 G HA2 -0.271 3.707 3.960 0.030 0.000 0.264 57 G HA3 -0.271 3.707 3.960 0.030 0.000 0.264 57 G C 0.521 175.398 174.900 -0.038 0.000 0.975 57 G CA -0.218 44.870 45.100 -0.021 0.000 0.642 57 G HN 0.554 nan 8.290 nan 0.000 0.536 58 R N 0.020 120.488 120.500 -0.054 0.000 2.647 58 R HA 0.251 4.609 4.340 0.030 0.000 0.295 58 R C 0.340 176.471 176.300 -0.282 0.000 1.267 58 R CA -0.443 55.587 56.100 -0.118 0.000 1.386 58 R CB 0.352 30.637 30.300 -0.025 0.000 1.309 58 R HN 0.275 nan 8.270 nan 0.000 0.692 59 R N -0.031 120.304 120.500 -0.276 0.000 2.532 59 R HA 0.276 4.634 4.340 0.030 0.000 0.272 59 R C 0.466 176.494 176.300 -0.454 0.000 1.032 59 R CA -0.419 55.475 56.100 -0.342 0.000 1.089 59 R CB 0.565 30.773 30.300 -0.153 0.000 1.098 59 R HN 0.124 nan 8.270 nan 0.000 0.526 60 Y N -0.455 119.775 120.300 -0.117 0.000 2.457 60 Y HA 0.196 4.764 4.550 0.029 0.000 0.263 60 Y C -0.236 175.620 175.900 -0.074 0.000 1.164 60 Y CA 0.089 58.109 58.100 -0.133 0.000 1.274 60 Y CB 0.281 38.615 38.460 -0.209 0.000 1.097 60 Y HN 0.321 nan 8.280 nan 0.000 0.523 61 Y N -0.712 119.627 120.300 0.065 0.000 2.545 61 Y HA 0.633 5.199 4.550 0.027 0.000 0.348 61 Y C 0.757 176.659 175.900 0.003 0.000 1.002 61 Y CA -2.256 55.868 58.100 0.039 0.000 1.039 61 Y CB 0.931 39.419 38.460 0.046 0.000 1.271 61 Y HN -0.083 nan 8.280 nan 0.000 0.467 62 G N -0.121 108.781 108.800 0.171 0.000 2.651 62 G HA2 0.412 4.390 3.960 0.030 0.000 0.260 62 G HA3 0.412 4.390 3.960 0.030 0.000 0.260 62 G C 0.780 175.708 174.900 0.047 0.000 1.216 62 G CA -0.012 45.128 45.100 0.066 0.000 0.913 62 G HN 1.429 nan 8.290 nan 0.000 0.535 63 G N -2.377 106.422 108.800 -0.001 0.000 2.143 63 G HA2 -0.291 3.687 3.960 0.030 0.000 0.248 63 G HA3 -0.291 3.687 3.960 0.030 0.000 0.248 63 G C 0.886 175.765 174.900 -0.035 0.000 0.991 63 G CA 0.587 45.678 45.100 -0.016 0.000 0.689 63 G HN 0.938 nan 8.290 nan 0.000 0.522 64 C N 0.326 119.595 119.300 -0.052 0.000 2.625 64 C HA 0.342 4.820 4.460 0.030 0.000 0.285 64 C C 2.259 177.165 174.990 -0.140 0.000 1.279 64 C CA 0.405 59.390 59.018 -0.055 0.000 1.698 64 C CB -0.588 27.135 27.740 -0.028 0.000 1.821 64 C HN 0.641 nan 8.230 nan 0.000 0.600 65 E N 0.772 120.789 120.200 -0.305 0.000 2.130 65 E HA -0.208 4.160 4.350 0.030 0.000 0.196 65 E C 1.205 177.564 176.600 -0.402 0.000 0.998 65 E CA 1.850 57.976 56.400 -0.456 0.000 0.806 65 E CB -0.230 29.008 29.700 -0.770 0.000 0.738 65 E HN 0.804 nan 8.360 nan 0.000 0.459 66 Y N -0.799 119.506 120.300 0.008 0.000 2.301 66 Y HA -0.045 4.523 4.550 0.029 0.000 0.295 66 Y C 2.337 178.240 175.900 0.005 0.000 1.119 66 Y CA 0.412 58.516 58.100 0.006 0.000 1.162 66 Y CB -0.302 38.160 38.460 0.003 0.000 1.046 66 Y HN 0.006 nan 8.280 nan 0.000 0.538 67 V N -1.690 118.294 119.914 0.116 0.000 2.594 67 V HA -0.211 3.927 4.120 0.030 0.000 0.253 67 V C 1.355 177.468 176.094 0.031 0.000 1.069 67 V CA 2.063 64.401 62.300 0.062 0.000 1.082 67 V CB -0.487 31.361 31.823 0.041 0.000 0.680 67 V HN 0.194 nan 8.190 nan 0.000 0.469 68 D N 0.961 121.367 120.400 0.010 0.000 2.117 68 D HA -0.082 4.576 4.640 0.030 0.000 0.197 68 D C 2.052 178.369 176.300 0.028 0.000 0.987 68 D CA 1.963 55.966 54.000 0.006 0.000 0.829 68 D CB -0.300 40.486 40.800 -0.024 0.000 0.961 68 D HN 0.537 nan 8.370 nan 0.000 0.460 69 I N 0.192 120.788 120.570 0.044 0.000 2.163 69 I HA -0.248 3.940 4.170 0.030 0.000 0.243 69 I C 2.378 178.527 176.117 0.052 0.000 1.085 69 I CA 0.632 61.967 61.300 0.059 0.000 1.347 69 I CB -0.178 37.879 38.000 0.095 0.000 1.044 69 I HN -0.091 nan 8.210 nan 0.000 0.408 70 V N 0.618 120.564 119.914 0.053 0.000 2.261 70 V HA -0.327 3.811 4.120 0.030 0.000 0.246 70 V C 2.493 178.604 176.094 0.029 0.000 1.047 70 V CA 2.313 64.633 62.300 0.035 0.000 1.015 70 V CB -0.640 31.201 31.823 0.030 0.000 0.642 70 V HN 0.490 nan 8.190 nan 0.000 0.446 71 E N -0.168 120.051 120.200 0.032 0.000 2.077 71 E HA -0.288 4.079 4.350 0.030 0.000 0.193 71 E C 2.163 178.800 176.600 0.061 0.000 0.989 71 E CA 1.493 57.918 56.400 0.041 0.000 0.800 71 E CB -0.041 29.683 29.700 0.040 0.000 0.746 71 E HN 0.585 nan 8.360 nan 0.000 0.452 72 E N 0.376 120.609 120.200 0.056 0.000 2.106 72 E HA -0.126 4.242 4.350 0.030 0.000 0.192 72 E C 2.010 178.646 176.600 0.060 0.000 0.984 72 E CA 0.822 57.256 56.400 0.057 0.000 0.806 72 E CB -0.143 29.585 29.700 0.048 0.000 0.750 72 E HN 0.310 nan 8.360 nan 0.000 0.458 73 L N -0.306 120.951 121.223 0.057 0.000 2.042 73 L HA -0.209 4.148 4.340 0.030 0.000 0.210 73 L C 2.442 179.374 176.870 0.103 0.000 1.076 73 L CA 1.243 56.120 54.840 0.062 0.000 0.749 73 L CB -0.586 41.499 42.059 0.044 0.000 0.893 73 L HN 0.199 nan 8.230 nan 0.000 0.432 74 A N 0.087 122.974 122.820 0.111 0.000 1.877 74 A HA -0.211 4.126 4.320 0.030 0.000 0.216 74 A C 2.395 180.150 177.584 0.285 0.000 1.186 74 A CA 1.578 53.749 52.037 0.223 0.000 0.620 74 A CB -0.490 18.582 19.000 0.120 0.000 0.822 74 A HN 0.318 nan 8.150 nan 0.000 0.443 75 R N -0.671 119.916 120.500 0.145 0.000 2.073 75 R HA -0.105 4.253 4.340 0.030 0.000 0.234 75 R C 2.090 178.412 176.300 0.037 0.000 1.134 75 R CA 1.370 57.510 56.100 0.066 0.000 0.952 75 R CB -0.362 29.949 30.300 0.019 0.000 0.850 75 R HN 0.487 nan 8.270 nan 0.000 0.433 76 E N 0.685 120.914 120.200 0.049 0.000 2.072 76 E HA -0.141 4.226 4.350 0.030 0.000 0.191 76 E C 2.052 178.664 176.600 0.020 0.000 0.985 76 E CA 1.103 57.521 56.400 0.029 0.000 0.801 76 E CB -0.112 29.607 29.700 0.032 0.000 0.750 76 E HN 0.296 nan 8.360 nan 0.000 0.452 77 R N 0.501 121.037 120.500 0.060 0.000 2.092 77 R HA -0.026 4.332 4.340 0.030 0.000 0.231 77 R C 2.335 178.586 176.300 -0.082 0.000 1.119 77 R CA 1.148 57.274 56.100 0.044 0.000 0.970 77 R CB -0.286 30.111 30.300 0.162 0.000 0.864 77 R HN 0.102 nan 8.270 nan 0.000 0.440 78 A N 1.477 124.216 122.820 -0.136 0.000 1.902 78 A HA -0.201 4.137 4.320 0.030 0.000 0.217 78 A C 1.883 179.411 177.584 -0.093 0.000 1.181 78 A CA 1.447 53.286 52.037 -0.331 0.000 0.623 78 A CB -0.240 18.557 19.000 -0.339 0.000 0.818 78 A HN 0.188 nan 8.150 nan 0.000 0.443 79 K N -0.738 119.631 120.400 -0.053 0.000 2.057 79 K HA -0.188 4.150 4.320 0.030 0.000 0.207 79 K C 2.386 178.964 176.600 -0.035 0.000 1.049 79 K CA 1.593 57.870 56.287 -0.018 0.000 0.931 79 K CB -0.172 32.321 32.500 -0.012 0.000 0.714 79 K HN 0.653 nan 8.250 nan 0.000 0.440 80 Q N 0.881 120.643 119.800 -0.064 0.000 2.050 80 Q HA -0.143 4.214 4.340 0.030 0.000 0.202 80 Q C 2.081 177.988 176.000 -0.156 0.000 0.980 80 Q CA 1.269 57.022 55.803 -0.082 0.000 0.840 80 Q CB 0.001 28.699 28.738 -0.067 0.000 0.898 80 Q HN 0.298 nan 8.270 nan 0.000 0.424 81 L N -0.894 120.159 121.223 -0.283 0.000 2.046 81 L HA -0.156 4.202 4.340 0.030 0.000 0.208 81 L C 1.372 177.847 176.870 -0.658 0.000 1.077 81 L CA 1.122 55.617 54.840 -0.575 0.000 0.747 81 L CB -0.033 41.446 42.059 -0.966 0.000 0.896 81 L HN 0.275 nan 8.230 nan 0.000 0.432 82 F N -1.389 118.492 119.950 -0.115 0.000 2.728 82 F HA 0.325 4.868 4.527 0.027 0.000 0.314 82 F C 1.576 177.338 175.800 -0.064 0.000 1.094 82 F CA 0.278 58.226 58.000 -0.087 0.000 1.217 82 F CB 0.093 39.019 39.000 -0.122 0.000 1.056 82 F HN 0.038 nan 8.300 nan 0.000 0.577 83 G N 1.428 110.266 108.800 0.063 0.000 2.249 83 G HA2 -0.116 3.862 3.960 0.030 0.000 0.273 83 G HA3 -0.116 3.862 3.960 0.030 0.000 0.273 83 G C 0.292 175.212 174.900 0.032 0.000 1.036 83 G CA 0.098 45.216 45.100 0.030 0.000 0.824 83 G HN 0.653 nan 8.290 nan 0.000 0.504 84 A N -0.844 122.005 122.820 0.048 0.000 2.302 84 A HA 0.746 5.084 4.320 0.030 0.000 0.285 84 A C 1.068 178.668 177.584 0.027 0.000 1.105 84 A CA 0.515 52.569 52.037 0.028 0.000 0.816 84 A CB 0.560 19.573 19.000 0.021 0.000 1.067 84 A HN 0.421 nan 8.150 nan 0.000 0.489 85 E N -0.673 119.548 120.200 0.036 0.000 2.216 85 E HA -0.033 4.335 4.350 0.030 0.000 0.192 85 E C -0.158 176.512 176.600 0.117 0.000 0.988 85 E CA 0.958 57.389 56.400 0.051 0.000 0.834 85 E CB 0.077 29.795 29.700 0.030 0.000 0.772 85 E HN 0.742 nan 8.360 nan 0.000 0.479 86 H N -1.095 117.979 119.070 0.006 0.000 2.930 86 H HA 0.574 5.148 4.556 0.031 0.000 0.371 86 H C -1.750 173.590 175.328 0.019 0.000 1.169 86 H CA -0.627 55.428 56.048 0.012 0.000 1.157 86 H CB 1.678 31.450 29.762 0.018 0.000 1.789 86 H HN -0.018 nan 8.280 nan 0.000 0.547 87 A N 3.879 126.329 122.820 -0.617 0.000 2.386 87 A HA 0.457 4.794 4.320 0.030 0.000 0.311 87 A C -1.143 176.126 177.584 -0.525 0.000 1.068 87 A CA -0.858 50.939 52.037 -0.399 0.000 0.743 87 A CB 1.257 20.149 19.000 -0.180 0.000 1.258 87 A HN 0.714 nan 8.150 nan 0.000 0.429 88 N N 1.945 120.532 118.700 -0.188 0.000 2.442 88 N HA 0.321 5.078 4.740 0.030 0.000 0.274 88 N C 0.058 175.598 175.510 0.049 0.000 1.002 88 N CA -0.164 52.877 53.050 -0.013 0.000 0.910 88 N CB 1.928 40.477 38.487 0.103 0.000 1.244 88 N HN 0.708 nan 8.380 nan 0.000 0.492 89 V N 1.286 121.253 119.914 0.089 0.000 3.542 89 V HA 0.223 4.360 4.120 0.030 0.000 0.296 89 V C 1.275 177.406 176.094 0.062 0.000 1.364 89 V CA 0.303 62.666 62.300 0.106 0.000 1.118 89 V CB -0.041 31.872 31.823 0.150 0.000 0.972 89 V HN 0.540 nan 8.190 nan 0.000 0.430 90 Q N 0.620 120.453 119.800 0.055 0.000 2.398 90 Q HA 0.175 4.533 4.340 0.030 0.000 0.204 90 Q C -1.593 174.347 176.000 -0.100 0.000 0.932 90 Q CA -0.460 55.330 55.803 -0.022 0.000 0.916 90 Q CB -0.783 27.935 28.738 -0.034 0.000 1.024 90 Q HN 0.554 nan 8.270 nan 0.000 0.504 91 P HA -0.102 nan 4.420 nan 0.000 0.264 91 P C -0.072 177.193 177.300 -0.058 0.000 1.193 91 P CA 0.549 63.585 63.100 -0.108 0.000 0.763 91 P CB 0.433 32.111 31.700 -0.037 0.000 0.810 92 H N 0.483 119.543 119.070 -0.016 0.000 2.521 92 H HA 0.017 4.591 4.556 0.030 0.000 0.286 92 H C 0.974 176.296 175.328 -0.010 0.000 1.034 92 H CA 1.118 57.149 56.048 -0.029 0.000 1.278 92 H CB 0.058 29.799 29.762 -0.036 0.000 1.386 92 H HN 0.502 nan 8.280 nan 0.000 0.567 93 S N -2.930 112.841 115.700 0.117 0.000 2.636 93 S HA 0.382 4.869 4.470 0.030 0.000 0.266 93 S C 1.276 175.920 174.600 0.075 0.000 1.147 93 S CA -0.377 57.890 58.200 0.112 0.000 0.815 93 S CB 1.033 64.296 63.200 0.105 0.000 1.119 93 S HN 0.096 nan 8.310 nan 0.000 0.470 94 G N 0.779 109.624 108.800 0.074 0.000 2.422 94 G HA2 0.091 4.069 3.960 0.030 0.000 0.218 94 G HA3 0.091 4.069 3.960 0.030 0.000 0.218 94 G C 1.526 176.441 174.900 0.024 0.000 1.146 94 G CA 1.207 46.305 45.100 -0.002 0.000 0.769 94 G HN 1.388 nan 8.290 nan 0.000 0.547 95 A N 0.246 123.117 122.820 0.085 0.000 1.883 95 A HA -0.132 4.206 4.320 0.030 0.000 0.217 95 A C 2.381 180.019 177.584 0.090 0.000 1.186 95 A CA 2.251 54.382 52.037 0.157 0.000 0.624 95 A CB -0.444 18.667 19.000 0.185 0.000 0.822 95 A HN 0.348 nan 8.150 nan 0.000 0.444 96 Q N -0.537 119.277 119.800 0.024 0.000 2.167 96 Q HA 0.090 4.448 4.340 0.030 0.000 0.202 96 Q C 2.289 178.256 176.000 -0.056 0.000 0.970 96 Q CA 1.577 57.354 55.803 -0.043 0.000 0.855 96 Q CB -0.657 28.057 28.738 -0.041 0.000 0.911 96 Q HN 0.653 nan 8.270 nan 0.000 0.438 97 A N 0.836 123.632 122.820 -0.040 0.000 1.883 97 A HA -0.244 4.094 4.320 0.030 0.000 0.217 97 A C 1.816 179.329 177.584 -0.118 0.000 1.186 97 A CA 1.833 53.833 52.037 -0.062 0.000 0.624 97 A CB -0.651 18.318 19.000 -0.051 0.000 0.822 97 A HN 0.348 nan 8.150 nan 0.000 0.444 98 N N -0.636 117.987 118.700 -0.128 0.000 2.120 98 N HA -0.154 4.604 4.740 0.030 0.000 0.188 98 N C 1.727 176.975 175.510 -0.437 0.000 1.024 98 N CA 1.682 54.532 53.050 -0.334 0.000 0.852 98 N CB -0.534 37.838 38.487 -0.192 0.000 1.003 98 N HN 0.629 nan 8.380 nan 0.000 0.424 99 M N 0.568 120.158 119.600 -0.017 0.000 2.106 99 M HA -0.183 4.315 4.480 0.030 0.000 0.259 99 M C 1.832 178.179 176.300 0.078 0.000 1.068 99 M CA 1.772 57.158 55.300 0.144 0.000 1.100 99 M CB -0.030 32.454 32.600 -0.193 0.000 1.351 99 M HN 0.200 nan 8.290 nan 0.000 0.404 100 A N -0.617 122.181 122.820 -0.037 0.000 1.898 100 A HA -0.106 4.232 4.320 0.030 0.000 0.216 100 A C 2.016 179.587 177.584 -0.021 0.000 1.181 100 A CA 1.792 53.832 52.037 0.004 0.000 0.620 100 A CB -1.070 17.915 19.000 -0.024 0.000 0.819 100 A HN 0.420 nan 8.150 nan 0.000 0.442 101 V N -0.907 118.888 119.914 -0.198 0.000 2.343 101 V HA -0.274 3.864 4.120 0.030 0.000 0.247 101 V C 2.453 178.378 176.094 -0.281 0.000 1.051 101 V CA 1.906 63.960 62.300 -0.411 0.000 1.036 101 V CB -1.127 30.384 31.823 -0.520 0.000 0.654 101 V HN 0.632 nan 8.190 nan 0.000 0.451 102 Y N -0.874 119.353 120.300 -0.122 0.000 2.165 102 Y HA -0.208 4.361 4.550 0.031 0.000 0.286 102 Y C 2.291 178.182 175.900 -0.015 0.000 1.155 102 Y CA 0.974 58.982 58.100 -0.154 0.000 1.164 102 Y CB -1.268 37.195 38.460 0.006 0.000 0.978 102 Y HN 0.285 nan 8.280 nan 0.000 0.513 103 F N 0.668 120.716 119.950 0.163 0.000 2.216 103 F HA -0.206 4.340 4.527 0.031 0.000 0.300 103 F C 2.169 177.972 175.800 0.006 0.000 1.085 103 F CA 1.821 59.897 58.000 0.127 0.000 1.326 103 F CB -0.440 38.614 39.000 0.091 0.000 1.027 103 F HN -0.044 nan 8.300 nan 0.000 0.497 104 T N -0.595 113.932 114.554 -0.045 0.000 2.770 104 T HA -0.107 4.261 4.350 0.030 0.000 0.263 104 T C 1.938 176.482 174.700 -0.260 0.000 1.039 104 T CA 1.978 63.971 62.100 -0.178 0.000 1.142 104 T CB -0.449 68.260 68.868 -0.265 0.000 0.868 104 T HN 0.242 nan 8.240 nan 0.000 0.435 105 V N -1.758 117.950 119.914 -0.344 0.000 3.645 105 V HA 0.487 4.625 4.120 0.030 0.000 0.275 105 V C 0.370 176.343 176.094 -0.201 0.000 1.356 105 V CA -0.152 61.929 62.300 -0.365 0.000 1.051 105 V CB -0.478 30.910 31.823 -0.725 0.000 0.828 105 V HN 0.222 nan 8.190 nan 0.000 0.441 106 L N 0.867 121.985 121.223 -0.174 0.000 2.334 106 L HA 0.684 5.042 4.340 0.030 0.000 0.273 106 L C -0.187 176.711 176.870 0.047 0.000 1.013 106 L CA -0.479 54.300 54.840 -0.102 0.000 0.816 106 L CB 1.996 43.852 42.059 -0.338 0.000 1.278 106 L HN 0.115 nan 8.230 nan 0.000 0.431 107 E N -0.079 120.179 120.200 0.097 0.000 2.222 107 E HA 0.208 4.576 4.350 0.030 0.000 0.267 107 E C -0.662 176.086 176.600 0.247 0.000 0.963 107 E CA -0.817 55.667 56.400 0.140 0.000 0.837 107 E CB 1.259 31.002 29.700 0.071 0.000 1.183 107 E HN 0.455 nan 8.360 nan 0.000 0.403 108 H N 0.883 120.014 119.070 0.103 0.000 3.167 108 H HA -0.102 4.472 4.556 0.029 0.000 0.306 108 H C 0.865 176.214 175.328 0.035 0.000 0.965 108 H CA 1.922 57.975 56.048 0.008 0.000 1.408 108 H CB 0.174 29.921 29.762 -0.026 0.000 1.406 108 H HN 0.827 nan 8.280 nan 0.000 0.576 109 G N 4.460 112.978 108.800 -0.470 0.000 2.195 109 G HA2 -0.253 3.724 3.960 0.030 0.000 0.246 109 G HA3 -0.253 3.724 3.960 0.030 0.000 0.246 109 G C 0.087 174.928 174.900 -0.098 0.000 0.984 109 G CA 0.222 45.114 45.100 -0.347 0.000 0.633 109 G HN 0.690 nan 8.290 nan 0.000 0.525 110 D N 1.348 121.755 120.400 0.012 0.000 2.449 110 D HA 0.413 5.071 4.640 0.030 0.000 0.236 110 D C 0.827 177.072 176.300 -0.091 0.000 1.149 110 D CA 0.836 54.826 54.000 -0.017 0.000 0.878 110 D CB 0.673 41.465 40.800 -0.013 0.000 1.198 110 D HN 0.121 nan 8.370 nan 0.000 0.446 111 T N 1.260 115.739 114.554 -0.125 0.000 2.817 111 T HA 0.408 4.775 4.350 0.030 0.000 0.293 111 T C -0.012 174.496 174.700 -0.321 0.000 0.964 111 T CA -0.534 61.450 62.100 -0.193 0.000 1.085 111 T CB 0.788 69.594 68.868 -0.104 0.000 0.921 111 T HN -0.010 nan 8.240 nan 0.000 0.502 112 V N 4.230 123.804 119.914 -0.568 0.000 2.735 112 V HA 0.532 4.669 4.120 0.030 0.000 0.310 112 V C -0.665 175.096 176.094 -0.555 0.000 1.061 112 V CA -1.040 60.810 62.300 -0.750 0.000 0.913 112 V CB 1.956 32.858 31.823 -1.535 0.000 1.005 112 V HN 0.660 nan 8.190 nan 0.000 0.428 113 L N 3.899 124.985 121.223 -0.230 0.000 2.280 113 L HA 0.945 5.302 4.340 0.030 0.000 0.287 113 L C 0.240 177.205 176.870 0.159 0.000 1.023 113 L CA 0.501 55.346 54.840 0.010 0.000 0.819 113 L CB 0.883 43.023 42.059 0.134 0.000 1.212 113 L HN 0.801 nan 8.230 nan 0.000 0.420 114 G N 3.979 112.865 108.800 0.144 0.000 2.730 114 G HA2 0.442 4.420 3.960 0.030 0.000 0.289 114 G HA3 0.442 4.420 3.960 0.030 0.000 0.289 114 G C -1.174 173.379 174.900 -0.578 0.000 1.341 114 G CA -0.971 44.162 45.100 0.056 0.000 0.932 114 G HN 0.648 nan 8.290 nan 0.000 0.481 115 M N 1.631 120.823 119.600 -0.680 0.000 2.228 115 M HA 0.150 4.648 4.480 0.030 0.000 0.351 115 M C 0.592 176.604 176.300 -0.480 0.000 1.233 115 M CA -0.628 54.097 55.300 -0.959 0.000 1.129 115 M CB 0.410 32.791 32.600 -0.366 0.000 1.604 115 M HN 0.593 nan 8.290 nan 0.000 0.457 116 N N 3.802 122.191 118.700 -0.518 0.000 2.294 116 N HA -0.097 4.661 4.740 0.030 0.000 0.263 116 N C 0.452 175.810 175.510 -0.253 0.000 1.281 116 N CA 0.221 53.019 53.050 -0.420 0.000 0.846 116 N CB 0.571 38.600 38.487 -0.764 0.000 1.061 116 N HN 0.716 nan 8.380 nan 0.000 0.478 117 L N 3.161 124.266 121.223 -0.198 0.000 2.131 117 L HA -0.105 4.253 4.340 0.030 0.000 0.210 117 L C 2.225 179.042 176.870 -0.087 0.000 1.092 117 L CA 1.396 56.155 54.840 -0.134 0.000 0.759 117 L CB -0.455 41.512 42.059 -0.153 0.000 0.903 117 L HN 0.549 nan 8.230 nan 0.000 0.435 118 S N -2.234 113.417 115.700 -0.081 0.000 2.561 118 S HA -0.013 4.475 4.470 0.030 0.000 0.225 118 S C 1.377 176.049 174.600 0.121 0.000 0.977 118 S CA 0.343 58.544 58.200 0.002 0.000 0.926 118 S CB -0.405 62.794 63.200 -0.000 0.000 0.769 118 S HN 0.579 nan 8.310 nan 0.000 0.533 119 H N -0.781 118.200 119.070 -0.148 0.000 2.652 119 H HA 0.302 4.876 4.556 0.029 0.000 0.274 119 H C 1.597 176.898 175.328 -0.045 0.000 1.021 119 H CA 0.223 56.200 56.048 -0.119 0.000 1.187 119 H CB 0.751 30.424 29.762 -0.148 0.000 1.505 119 H HN 0.504 nan 8.280 nan 0.000 0.530 120 G N 0.580 109.421 108.800 0.067 0.000 2.613 120 G HA2 -0.184 3.794 3.960 0.030 0.000 0.199 120 G HA3 -0.184 3.794 3.960 0.030 0.000 0.199 120 G C 0.714 175.643 174.900 0.050 0.000 0.991 120 G CA -0.342 44.794 45.100 0.062 0.000 0.756 120 G HN 0.509 nan 8.290 nan 0.000 0.515 121 G N -0.045 108.766 108.800 0.018 0.000 2.554 121 G HA2 0.427 4.405 3.960 0.030 0.000 0.238 121 G HA3 0.427 4.405 3.960 0.030 0.000 0.238 121 G C -0.091 174.801 174.900 -0.015 0.000 1.259 121 G CA 0.210 45.355 45.100 0.075 0.000 0.843 121 G HN 0.458 nan 8.290 nan 0.000 0.582 122 H N 1.301 120.182 119.070 -0.314 0.000 2.505 122 H HA 0.110 4.684 4.556 0.030 0.000 0.355 122 H C 1.498 176.580 175.328 -0.409 0.000 1.179 122 H CA -0.782 54.971 56.048 -0.493 0.000 1.343 122 H CB 1.596 30.876 29.762 -0.804 0.000 1.501 122 H HN 0.325 nan 8.280 nan 0.000 0.569 123 L N 3.053 123.690 121.223 -0.976 0.000 2.051 123 L HA -0.229 4.129 4.340 0.030 0.000 0.214 123 L C 2.315 178.934 176.870 -0.419 0.000 1.076 123 L CA 2.630 57.087 54.840 -0.638 0.000 0.758 123 L CB -0.767 40.907 42.059 -0.642 0.000 0.890 123 L HN 0.844 nan 8.230 nan 0.000 0.433 124 T N -4.732 109.672 114.554 -0.250 0.000 3.160 124 T HA -0.050 4.318 4.350 0.030 0.000 0.257 124 T C 0.887 175.624 174.700 0.063 0.000 1.147 124 T CA 0.669 62.767 62.100 -0.002 0.000 1.064 124 T CB -0.993 68.064 68.868 0.314 0.000 0.949 124 T HN 0.640 nan 8.240 nan 0.000 0.526 125 H N 0.551 119.516 119.070 -0.175 0.000 2.550 125 H HA 0.496 5.070 4.556 0.030 0.000 0.304 125 H C 1.428 176.188 175.328 -0.946 0.000 1.086 125 H CA -0.449 55.424 56.048 -0.292 0.000 1.089 125 H CB 0.050 29.798 29.762 -0.024 0.000 1.528 125 H HN 0.513 nan 8.280 nan 0.000 0.539 126 G N 0.849 108.919 108.800 -1.217 0.000 2.164 126 G HA2 -0.283 3.695 3.960 0.030 0.000 0.154 126 G HA3 -0.283 3.695 3.960 0.030 0.000 0.154 126 G C 0.238 174.802 174.900 -0.559 0.000 1.014 126 G CA -0.029 44.237 45.100 -1.389 0.000 0.683 126 G HN 0.396 nan 8.290 nan 0.000 0.500 127 S N 1.395 116.842 115.700 -0.421 0.000 2.546 127 S HA 0.374 4.862 4.470 0.030 0.000 0.290 127 S C 0.080 174.555 174.600 -0.208 0.000 1.290 127 S CA 0.078 58.120 58.200 -0.263 0.000 1.069 127 S CB 1.067 64.129 63.200 -0.230 0.000 0.846 127 S HN 0.201 nan 8.310 nan 0.000 0.495 128 P HA -0.021 nan 4.420 nan 0.000 0.234 128 P C 0.962 178.220 177.300 -0.070 0.000 1.167 128 P CA 0.731 63.775 63.100 -0.093 0.000 0.763 128 P CB -0.287 31.372 31.700 -0.068 0.000 0.835 129 V N -4.471 115.397 119.914 -0.076 0.000 3.578 129 V HA 0.284 4.422 4.120 0.030 0.000 0.290 129 V C 0.699 176.773 176.094 -0.034 0.000 1.376 129 V CA -0.440 61.832 62.300 -0.046 0.000 1.083 129 V CB -0.873 30.925 31.823 -0.041 0.000 0.911 129 V HN 0.011 nan 8.190 nan 0.000 0.433 130 N N 0.609 119.266 118.700 -0.072 0.000 2.430 130 N HA 0.244 5.002 4.740 0.030 0.000 0.298 130 N C 0.973 176.454 175.510 -0.048 0.000 1.130 130 N CA -0.153 52.869 53.050 -0.046 0.000 0.894 130 N CB 2.173 40.569 38.487 -0.152 0.000 1.209 130 N HN 0.211 nan 8.380 nan 0.000 0.503 131 F N 2.262 122.225 119.950 0.022 0.000 2.192 131 F HA -0.177 4.368 4.527 0.030 0.000 0.301 131 F C 2.293 178.139 175.800 0.076 0.000 1.079 131 F CA 1.483 59.511 58.000 0.047 0.000 1.303 131 F CB -0.996 38.053 39.000 0.082 0.000 1.024 131 F HN 0.452 nan 8.300 nan 0.000 0.494 132 S N 0.495 115.558 115.700 -1.062 0.000 2.359 132 S HA -0.083 4.404 4.470 0.030 0.000 0.224 132 S C 2.286 176.755 174.600 -0.217 0.000 1.035 132 S CA 1.064 58.876 58.200 -0.648 0.000 1.018 132 S CB -1.691 61.045 63.200 -0.772 0.000 0.876 132 S HN 0.567 nan 8.310 nan 0.000 0.448 133 G N 0.337 108.953 108.800 -0.307 0.000 2.511 133 G HA2 0.103 4.081 3.960 0.030 0.000 0.217 133 G HA3 0.103 4.081 3.960 0.030 0.000 0.217 133 G C 1.314 176.188 174.900 -0.045 0.000 1.133 133 G CA 0.631 45.648 45.100 -0.137 0.000 0.792 133 G HN 0.475 nan 8.290 nan 0.000 0.539 134 V N 0.016 119.893 119.914 -0.061 0.000 2.535 134 V HA -0.064 4.074 4.120 0.030 0.000 0.246 134 V C 2.557 178.624 176.094 -0.046 0.000 1.045 134 V CA 1.945 64.231 62.300 -0.024 0.000 1.058 134 V CB 0.373 32.205 31.823 0.015 0.000 0.689 134 V HN 0.426 nan 8.190 nan 0.000 0.461 135 Q N -0.842 118.876 119.800 -0.138 0.000 2.250 135 Q HA 0.058 4.416 4.340 0.030 0.000 0.200 135 Q C -0.092 175.513 176.000 -0.658 0.000 0.941 135 Q CA 0.994 56.580 55.803 -0.361 0.000 0.872 135 Q CB 0.216 28.630 28.738 -0.540 0.000 0.965 135 Q HN 0.637 nan 8.270 nan 0.000 0.480 136 Y N -0.708 119.594 120.300 0.003 0.000 2.562 136 Y HA 0.413 4.981 4.550 0.029 0.000 0.343 136 Y C -0.558 175.321 175.900 -0.035 0.000 1.025 136 Y CA -1.883 56.171 58.100 -0.077 0.000 1.082 136 Y CB 0.859 39.234 38.460 -0.141 0.000 1.264 136 Y HN -0.153 nan 8.280 nan 0.000 0.478 137 N N 1.345 120.055 118.700 0.017 0.000 2.602 137 N HA 0.231 4.989 4.740 0.030 0.000 0.238 137 N C -1.768 173.683 175.510 -0.098 0.000 1.084 137 N CA -0.106 52.925 53.050 -0.031 0.000 0.952 137 N CB -0.271 38.171 38.487 -0.075 0.000 1.244 137 N HN 0.407 nan 8.380 nan 0.000 0.512 138 F N 2.481 122.362 119.950 -0.115 0.000 2.410 138 F HA 0.287 4.832 4.527 0.030 0.000 0.348 138 F C 0.693 176.387 175.800 -0.177 0.000 1.106 138 F CA -0.443 57.472 58.000 -0.142 0.000 1.163 138 F CB 0.900 39.818 39.000 -0.137 0.000 1.129 138 F HN 0.135 nan 8.300 nan 0.000 0.516 139 V N 0.640 120.500 119.914 -0.090 0.000 2.960 139 V HA 0.989 5.127 4.120 0.030 0.000 0.315 139 V C -0.641 175.409 176.094 -0.074 0.000 1.087 139 V CA -1.170 61.019 62.300 -0.185 0.000 0.982 139 V CB 1.382 32.890 31.823 -0.525 0.000 1.039 139 V HN 0.894 nan 8.190 nan 0.000 0.437 140 A N 2.077 124.841 122.820 -0.093 0.000 2.401 140 A HA 0.927 5.265 4.320 0.030 0.000 0.310 140 A C -1.005 176.540 177.584 -0.065 0.000 1.075 140 A CA -0.731 51.220 52.037 -0.143 0.000 0.746 140 A CB 1.472 20.342 19.000 -0.218 0.000 1.277 140 A HN 1.554 nan 8.150 nan 0.000 0.425 141 Y N -0.008 120.277 120.300 -0.024 0.000 2.496 141 Y HA 0.830 5.398 4.550 0.029 0.000 0.331 141 Y C 0.471 176.326 175.900 -0.075 0.000 1.140 141 Y CA -0.850 57.233 58.100 -0.029 0.000 1.166 141 Y CB 0.963 39.417 38.460 -0.010 0.000 1.249 141 Y HN 0.780 nan 8.280 nan 0.000 0.479 142 G N 0.393 109.288 108.800 0.158 0.000 2.644 142 G HA2 0.578 4.556 3.960 0.030 0.000 0.307 142 G HA3 0.578 4.556 3.960 0.030 0.000 0.307 142 G C -0.966 174.133 174.900 0.332 0.000 1.250 142 G CA -0.742 44.466 45.100 0.180 0.000 0.996 142 G HN 1.073 nan 8.290 nan 0.000 0.489 143 V N -1.649 118.558 119.914 0.488 0.000 2.863 143 V HA 0.463 4.601 4.120 0.030 0.000 0.307 143 V C 0.311 176.615 176.094 0.349 0.000 1.061 143 V CA -1.114 61.371 62.300 0.308 0.000 1.024 143 V CB 1.683 33.669 31.823 0.270 0.000 1.049 143 V HN 0.709 nan 8.190 nan 0.000 0.471 144 D N 3.209 123.751 120.400 0.236 0.000 2.455 144 D HA 0.133 4.791 4.640 0.030 0.000 0.241 144 D C -1.750 174.637 176.300 0.145 0.000 1.138 144 D CA -1.082 53.012 54.000 0.158 0.000 0.877 144 D CB 2.001 42.845 40.800 0.074 0.000 1.187 144 D HN 0.442 nan 8.370 nan 0.000 0.451 145 P HA -0.050 nan 4.420 nan 0.000 0.223 145 P C 0.571 177.748 177.300 -0.205 0.000 1.151 145 P CA 0.923 63.860 63.100 -0.272 0.000 0.787 145 P CB 0.473 31.831 31.700 -0.570 0.000 0.788 146 E N -1.177 118.885 120.200 -0.230 0.000 2.110 146 E HA -0.048 4.320 4.350 0.030 0.000 0.193 146 E C 1.964 178.275 176.600 -0.480 0.000 0.950 146 E CA 1.407 57.626 56.400 -0.302 0.000 0.840 146 E CB -0.817 28.786 29.700 -0.161 0.000 0.809 146 E HN 0.182 nan 8.360 nan 0.000 0.465 147 T N -2.720 111.665 114.554 -0.282 0.000 3.067 147 T HA -0.050 4.318 4.350 0.030 0.000 0.261 147 T C 0.183 174.810 174.700 -0.123 0.000 1.110 147 T CA 0.933 62.925 62.100 -0.180 0.000 1.113 147 T CB -0.435 68.412 68.868 -0.034 0.000 0.917 147 T HN 0.393 nan 8.240 nan 0.000 0.499 148 H N -0.826 118.304 119.070 0.100 0.000 3.010 148 H HA -0.106 4.468 4.556 0.030 0.000 0.272 148 H C -0.377 175.090 175.328 0.232 0.000 1.151 148 H CA 0.146 56.277 56.048 0.139 0.000 1.159 148 H CB -2.416 27.404 29.762 0.097 0.000 1.295 148 H HN 0.351 nan 8.280 nan 0.000 0.344 149 V N 1.305 121.391 119.914 0.287 0.000 2.567 149 V HA 0.142 4.280 4.120 0.030 0.000 0.289 149 V C 1.351 177.605 176.094 0.266 0.000 1.049 149 V CA -0.540 61.975 62.300 0.358 0.000 0.969 149 V CB 1.472 33.448 31.823 0.254 0.000 0.995 149 V HN 0.199 nan 8.190 nan 0.000 0.471 150 I N 3.372 124.057 120.570 0.192 0.000 2.906 150 I HA -0.075 4.113 4.170 0.030 0.000 0.301 150 I C 0.677 176.669 176.117 -0.208 0.000 1.221 150 I CA 0.613 61.829 61.300 -0.139 0.000 1.435 150 I CB 0.055 37.758 38.000 -0.494 0.000 1.345 150 I HN 0.645 nan 8.210 nan 0.000 0.558 151 D N 7.015 127.340 120.400 -0.124 0.000 2.422 151 D HA 0.040 4.698 4.640 0.030 0.000 0.227 151 D C 0.590 176.760 176.300 -0.217 0.000 1.190 151 D CA -0.043 53.919 54.000 -0.064 0.000 0.905 151 D CB 0.425 41.251 40.800 0.043 0.000 1.034 151 D HN 0.331 nan 8.370 nan 0.000 0.507 152 Y N 1.561 121.786 120.300 -0.125 0.000 2.352 152 Y HA -0.117 4.450 4.550 0.029 0.000 0.292 152 Y C 1.992 177.778 175.900 -0.189 0.000 1.136 152 Y CA 0.700 58.649 58.100 -0.251 0.000 1.227 152 Y CB 0.195 38.497 38.460 -0.263 0.000 0.991 152 Y HN 0.393 nan 8.280 nan 0.000 0.545 153 D N -0.197 120.212 120.400 0.016 0.000 2.178 153 D HA -0.169 4.489 4.640 0.030 0.000 0.202 153 D C 1.545 177.835 176.300 -0.017 0.000 0.974 153 D CA 1.453 55.451 54.000 -0.004 0.000 0.841 153 D CB -0.215 40.593 40.800 0.012 0.000 0.953 153 D HN 0.414 nan 8.370 nan 0.000 0.478 154 D N 0.379 120.769 120.400 -0.017 0.000 2.123 154 D HA -0.111 4.547 4.640 0.030 0.000 0.200 154 D C 2.142 178.438 176.300 -0.007 0.000 0.976 154 D CA 0.499 54.508 54.000 0.015 0.000 0.831 154 D CB 0.171 41.010 40.800 0.064 0.000 0.974 154 D HN -0.105 nan 8.370 nan 0.000 0.469 155 V N 0.616 120.444 119.914 -0.143 0.000 2.282 155 V HA -0.266 3.872 4.120 0.030 0.000 0.249 155 V C 2.634 178.654 176.094 -0.124 0.000 1.057 155 V CA 2.174 64.315 62.300 -0.266 0.000 1.032 155 V CB -0.654 30.734 31.823 -0.725 0.000 0.645 155 V HN 0.228 nan 8.190 nan 0.000 0.447 156 R N -0.075 120.358 120.500 -0.111 0.000 2.073 156 R HA -0.226 4.132 4.340 0.030 0.000 0.234 156 R C 2.437 178.726 176.300 -0.018 0.000 1.134 156 R CA 2.140 58.206 56.100 -0.056 0.000 0.952 156 R CB -0.309 29.962 30.300 -0.049 0.000 0.850 156 R HN 0.688 nan 8.270 nan 0.000 0.433 157 E N 0.167 120.363 120.200 -0.007 0.000 2.051 157 E HA -0.201 4.166 4.350 0.030 0.000 0.192 157 E C 1.636 178.246 176.600 0.017 0.000 0.991 157 E CA 1.167 57.568 56.400 0.001 0.000 0.799 157 E CB 0.175 29.879 29.700 0.007 0.000 0.748 157 E HN 0.165 nan 8.360 nan 0.000 0.449 158 K N 0.256 120.700 120.400 0.073 0.000 2.063 158 K HA -0.148 4.190 4.320 0.030 0.000 0.208 158 K C 2.090 178.792 176.600 0.171 0.000 1.048 158 K CA 1.132 57.527 56.287 0.181 0.000 0.928 158 K CB -0.477 32.168 32.500 0.241 0.000 0.713 158 K HN 0.199 nan 8.250 nan 0.000 0.442 159 A N 1.625 124.505 122.820 0.099 0.000 1.902 159 A HA -0.172 4.166 4.320 0.030 0.000 0.217 159 A C 2.235 179.842 177.584 0.039 0.000 1.181 159 A CA 1.420 53.502 52.037 0.075 0.000 0.623 159 A CB -0.361 18.666 19.000 0.045 0.000 0.818 159 A HN 0.269 nan 8.150 nan 0.000 0.443 160 R N -1.382 119.122 120.500 0.008 0.000 2.115 160 R HA 0.013 4.371 4.340 0.030 0.000 0.226 160 R C 2.083 178.353 176.300 -0.049 0.000 1.100 160 R CA 1.128 57.218 56.100 -0.017 0.000 0.980 160 R CB -0.402 29.885 30.300 -0.021 0.000 0.875 160 R HN 0.483 nan 8.270 nan 0.000 0.445 161 L N 0.143 121.307 121.223 -0.098 0.000 2.023 161 L HA -0.119 4.239 4.340 0.030 0.000 0.205 161 L C 1.860 178.578 176.870 -0.253 0.000 1.073 161 L CA 1.902 56.605 54.840 -0.228 0.000 0.745 161 L CB -0.337 41.486 42.059 -0.393 0.000 0.900 161 L HN 0.190 nan 8.230 nan 0.000 0.435 162 H N -0.018 119.050 119.070 -0.003 0.000 2.544 162 H HA 0.223 4.797 4.556 0.030 0.000 0.269 162 H C 0.050 175.366 175.328 -0.020 0.000 0.970 162 H CA 0.169 56.210 56.048 -0.012 0.000 1.219 162 H CB 0.249 30.004 29.762 -0.012 0.000 1.421 162 H HN 0.155 nan 8.280 nan 0.000 0.555 163 R N 0.459 121.004 120.500 0.074 0.000 3.146 163 R HA -0.102 4.256 4.340 0.030 0.000 0.250 163 R C -2.604 173.711 176.300 0.025 0.000 0.912 163 R CA -0.020 56.101 56.100 0.034 0.000 0.633 163 R CB -2.450 27.857 30.300 0.012 0.000 1.180 163 R HN 0.439 nan 8.270 nan 0.000 0.464 164 P HA 0.067 nan 4.420 nan 0.000 0.272 164 P C 0.635 177.921 177.300 -0.023 0.000 1.223 164 P CA -0.244 62.842 63.100 -0.025 0.000 0.784 164 P CB 0.860 32.542 31.700 -0.031 0.000 0.923 165 K N 0.590 120.962 120.400 -0.047 0.000 2.228 165 K HA 0.017 4.355 4.320 0.030 0.000 0.202 165 K C 0.325 176.961 176.600 0.060 0.000 1.051 165 K CA 0.544 56.832 56.287 0.001 0.000 0.960 165 K CB -0.001 32.496 32.500 -0.005 0.000 0.743 165 K HN 0.309 nan 8.250 nan 0.000 0.458 166 L N 0.871 122.087 121.223 -0.012 0.000 2.455 166 L HA 0.460 4.817 4.340 0.030 0.000 0.264 166 L C -1.592 175.284 176.870 0.009 0.000 0.968 166 L CA -0.614 54.246 54.840 0.033 0.000 0.827 166 L CB 1.909 43.931 42.059 -0.062 0.000 1.317 166 L HN -0.081 nan 8.230 nan 0.000 0.407 167 I N 4.883 125.520 120.570 0.110 0.000 2.404 167 I HA 0.525 4.713 4.170 0.030 0.000 0.293 167 I C -0.778 175.427 176.117 0.146 0.000 0.992 167 I CA -1.004 60.388 61.300 0.153 0.000 1.149 167 I CB 1.990 40.131 38.000 0.235 0.000 1.315 167 I HN 0.257 nan 8.210 nan 0.000 0.446 168 V N 5.412 125.407 119.914 0.134 0.000 2.398 168 V HA 0.705 4.842 4.120 0.030 0.000 0.286 168 V C 0.229 176.305 176.094 -0.030 0.000 1.026 168 V CA -0.442 61.873 62.300 0.025 0.000 0.868 168 V CB 1.415 33.213 31.823 -0.042 0.000 0.982 168 V HN 0.844 nan 8.190 nan 0.000 0.443 169 A N 4.064 126.743 122.820 -0.235 0.000 2.356 169 A HA 1.057 5.395 4.320 0.030 0.000 0.323 169 A C 0.020 177.516 177.584 -0.147 0.000 1.119 169 A CA 0.022 51.782 52.037 -0.461 0.000 0.790 169 A CB 1.557 19.873 19.000 -1.139 0.000 1.273 169 A HN 2.483 nan 8.150 nan 0.000 0.452 170 A N -0.848 121.964 122.820 -0.013 0.000 2.435 170 A HA 0.570 4.908 4.320 0.030 0.000 0.686 170 A C -0.341 177.375 177.584 0.219 0.000 0.139 170 A CA -0.032 52.091 52.037 0.143 0.000 0.029 170 A CB -1.445 17.637 19.000 0.137 0.000 3.972 170 A HN 2.960 nan 8.150 nan 0.000 0.548 171 A N -0.531 122.436 122.820 0.244 0.000 2.610 171 A HA 0.948 5.286 4.320 0.030 0.000 0.291 171 A C 0.621 178.284 177.584 0.132 0.000 1.086 171 A CA 0.688 52.852 52.037 0.212 0.000 0.677 171 A CB 0.604 19.719 19.000 0.191 0.000 1.278 171 A HN 2.439 nan 8.150 nan 0.000 0.414 172 S N -0.652 115.080 115.700 0.053 0.000 2.511 172 S HA 0.482 4.970 4.470 0.030 0.000 0.214 172 S C 0.724 175.119 174.600 -0.341 0.000 0.997 172 S CA 0.766 58.887 58.200 -0.131 0.000 0.908 172 S CB 0.539 63.823 63.200 0.140 0.000 0.803 172 S HN 2.106 nan 8.310 nan 0.000 0.504 173 A N 0.460 123.209 122.820 -0.118 0.000 2.897 173 A HA 0.501 4.839 4.320 0.030 0.000 0.230 173 A C -0.850 176.760 177.584 0.045 0.000 0.896 173 A CA -0.421 51.560 52.037 -0.092 0.000 1.114 173 A CB -0.027 18.938 19.000 -0.059 0.000 1.230 173 A HN 0.419 nan 8.150 nan 0.000 0.481 174 Y N 1.938 122.197 120.300 -0.069 0.000 2.356 174 Y HA 0.524 5.092 4.550 0.029 0.000 0.334 174 Y C -2.120 173.781 175.900 0.003 0.000 0.958 174 Y CA -2.382 55.720 58.100 0.003 0.000 1.196 174 Y CB 1.985 40.488 38.460 0.073 0.000 1.137 174 Y HN 0.238 nan 8.280 nan 0.000 0.485 175 P HA 0.069 nan 4.420 nan 0.000 0.249 175 P C -0.249 176.837 177.300 -0.357 0.000 1.229 175 P CA 0.642 63.560 63.100 -0.304 0.000 0.788 175 P CB 0.513 32.086 31.700 -0.210 0.000 1.072 176 R N -0.124 119.944 120.500 -0.720 0.000 2.873 176 R HA 0.482 4.839 4.340 0.030 0.000 0.264 176 R C 0.456 176.685 176.300 -0.119 0.000 1.026 176 R CA -1.492 54.356 56.100 -0.420 0.000 1.002 176 R CB 0.775 30.835 30.300 -0.401 0.000 1.174 176 R HN 0.003 nan 8.270 nan 0.000 0.488 177 I N 2.180 122.762 120.570 0.019 0.000 2.710 177 I HA -0.027 4.161 4.170 0.030 0.000 0.286 177 I C 0.577 176.805 176.117 0.185 0.000 1.181 177 I CA 0.558 61.886 61.300 0.046 0.000 1.430 177 I CB 0.257 38.122 38.000 -0.224 0.000 1.367 177 I HN 0.240 nan 8.210 nan 0.000 0.577 178 I N 5.530 126.209 120.570 0.181 0.000 2.365 178 I HA 0.099 4.287 4.170 0.030 0.000 0.291 178 I C 0.227 176.101 176.117 -0.406 0.000 1.004 178 I CA -0.299 61.023 61.300 0.037 0.000 1.311 178 I CB 0.947 38.914 38.000 -0.055 0.000 1.401 178 I HN 0.492 nan 8.210 nan 0.000 0.491 179 D N 6.420 126.784 120.400 -0.059 0.000 2.468 179 D HA 0.139 4.797 4.640 0.030 0.000 0.218 179 D C 0.740 176.991 176.300 -0.083 0.000 1.155 179 D CA -0.043 53.814 54.000 -0.238 0.000 0.924 179 D CB 0.311 40.846 40.800 -0.442 0.000 1.029 179 D HN 0.353 nan 8.370 nan 0.000 0.515 180 F N 1.776 121.731 119.950 0.008 0.000 2.293 180 F HA -0.099 4.446 4.527 0.030 0.000 0.300 180 F C 2.498 178.117 175.800 -0.300 0.000 1.086 180 F CA 0.537 58.512 58.000 -0.041 0.000 1.375 180 F CB -0.029 38.937 39.000 -0.057 0.000 1.045 180 F HN 0.431 nan 8.300 nan 0.000 0.516 181 A N 0.610 123.099 122.820 -0.552 0.000 1.877 181 A HA -0.201 4.137 4.320 0.030 0.000 0.216 181 A C 2.207 179.710 177.584 -0.134 0.000 1.186 181 A CA 1.598 53.339 52.037 -0.493 0.000 0.620 181 A CB -0.544 18.195 19.000 -0.435 0.000 0.822 181 A HN 0.288 nan 8.150 nan 0.000 0.443 182 K N -1.511 118.786 120.400 -0.173 0.000 2.057 182 K HA -0.087 4.250 4.320 0.030 0.000 0.206 182 K C 1.696 178.257 176.600 -0.066 0.000 1.050 182 K CA 1.466 57.642 56.287 -0.184 0.000 0.935 182 K CB -0.360 31.858 32.500 -0.470 0.000 0.715 182 K HN 0.457 nan 8.250 nan 0.000 0.439 183 F N 1.258 121.242 119.950 0.056 0.000 2.095 183 F HA -0.228 4.318 4.527 0.031 0.000 0.298 183 F C 2.644 178.495 175.800 0.085 0.000 1.104 183 F CA 1.418 59.474 58.000 0.093 0.000 1.232 183 F CB -0.228 38.868 39.000 0.159 0.000 0.987 183 F HN -0.046 nan 8.300 nan 0.000 0.475 184 R N 0.865 121.526 120.500 0.269 0.000 2.075 184 R HA -0.156 4.201 4.340 0.030 0.000 0.232 184 R C 2.044 178.425 176.300 0.134 0.000 1.126 184 R CA 1.797 58.020 56.100 0.206 0.000 0.963 184 R CB -0.800 29.638 30.300 0.231 0.000 0.858 184 R HN 0.413 nan 8.270 nan 0.000 0.435 185 E N -0.191 120.060 120.200 0.086 0.000 2.058 185 E HA -0.198 4.170 4.350 0.030 0.000 0.194 185 E C 1.876 178.495 176.600 0.032 0.000 0.997 185 E CA 1.819 58.245 56.400 0.043 0.000 0.801 185 E CB -0.157 29.544 29.700 0.001 0.000 0.746 185 E HN 0.433 nan 8.360 nan 0.000 0.450 186 I N 0.754 121.336 120.570 0.019 0.000 2.202 186 I HA -0.250 3.938 4.170 0.030 0.000 0.242 186 I C 2.602 178.747 176.117 0.048 0.000 1.091 186 I CA 0.943 62.247 61.300 0.007 0.000 1.368 186 I CB -0.371 37.599 38.000 -0.050 0.000 1.058 186 I HN 0.176 nan 8.210 nan 0.000 0.410 187 A N 0.735 123.615 122.820 0.100 0.000 1.892 187 A HA -0.281 4.057 4.320 0.030 0.000 0.218 187 A C 1.964 179.598 177.584 0.083 0.000 1.188 187 A CA 2.342 54.452 52.037 0.121 0.000 0.631 187 A CB -0.729 18.392 19.000 0.201 0.000 0.822 187 A HN 0.359 nan 8.150 nan 0.000 0.447 188 D N -0.823 119.628 120.400 0.085 0.000 2.149 188 D HA -0.160 4.498 4.640 0.030 0.000 0.198 188 D C 1.879 178.196 176.300 0.028 0.000 0.990 188 D CA 1.471 55.507 54.000 0.059 0.000 0.839 188 D CB -0.380 40.456 40.800 0.061 0.000 0.948 188 D HN 0.746 nan 8.370 nan 0.000 0.460 189 E N 0.310 120.525 120.200 0.024 0.000 2.110 189 E HA -0.141 4.227 4.350 0.030 0.000 0.193 189 E C 1.742 178.344 176.600 0.004 0.000 0.988 189 E CA 1.172 57.578 56.400 0.010 0.000 0.804 189 E CB 0.289 29.992 29.700 0.004 0.000 0.745 189 E HN 0.239 nan 8.360 nan 0.000 0.458 190 V N -3.384 116.535 119.914 0.008 0.000 3.621 190 V HA 0.424 4.562 4.120 0.030 0.000 0.285 190 V C 1.035 177.121 176.094 -0.013 0.000 1.346 190 V CA 0.376 62.676 62.300 0.001 0.000 1.104 190 V CB 0.046 31.875 31.823 0.010 0.000 0.913 190 V HN 0.270 nan 8.190 nan 0.000 0.432 191 G N 0.400 109.188 108.800 -0.021 0.000 2.246 191 G HA2 -0.017 3.960 3.960 0.030 0.000 0.273 191 G HA3 -0.017 3.960 3.960 0.030 0.000 0.273 191 G C 0.212 175.044 174.900 -0.112 0.000 1.055 191 G CA 0.409 45.471 45.100 -0.064 0.000 0.851 191 G HN 1.651 nan 8.290 nan 0.000 0.500 192 A N -0.660 122.121 122.820 -0.065 0.000 2.306 192 A HA 0.821 5.159 4.320 0.030 0.000 0.330 192 A C 0.055 177.592 177.584 -0.078 0.000 1.146 192 A CA -0.789 51.214 52.037 -0.057 0.000 0.827 192 A CB 0.827 19.849 19.000 0.037 0.000 1.178 192 A HN 0.541 nan 8.150 nan 0.000 0.490 193 Y N 0.082 120.364 120.300 -0.031 0.000 2.457 193 Y HA 0.344 4.912 4.550 0.030 0.000 0.341 193 Y C 0.304 176.323 175.900 0.199 0.000 1.240 193 Y CA 0.397 58.459 58.100 -0.064 0.000 1.437 193 Y CB 0.651 39.074 38.460 -0.063 0.000 1.328 193 Y HN 0.545 nan 8.280 nan 0.000 0.588 194 L N 4.957 126.561 121.223 0.635 0.000 2.305 194 L HA 0.507 4.865 4.340 0.030 0.000 0.284 194 L C -0.816 176.259 176.870 0.343 0.000 1.013 194 L CA -0.814 54.264 54.840 0.397 0.000 0.819 194 L CB 1.110 43.351 42.059 0.303 0.000 1.227 194 L HN 0.727 nan 8.230 nan 0.000 0.417 195 M N 5.810 125.551 119.600 0.236 0.000 2.294 195 M HA 0.614 5.112 4.480 0.030 0.000 0.335 195 M C -1.715 174.598 176.300 0.022 0.000 1.079 195 M CA -0.614 54.788 55.300 0.170 0.000 0.982 195 M CB 1.574 34.261 32.600 0.145 0.000 1.651 195 M HN 0.409 nan 8.290 nan 0.000 0.437 196 V N 4.260 124.146 119.914 -0.047 0.000 2.384 196 V HA 0.275 4.413 4.120 0.030 0.000 0.287 196 V C -0.629 175.399 176.094 -0.110 0.000 1.020 196 V CA -0.591 61.626 62.300 -0.138 0.000 0.850 196 V CB 1.542 33.155 31.823 -0.350 0.000 0.987 196 V HN 0.775 nan 8.190 nan 0.000 0.436 197 D N 5.742 126.104 120.400 -0.062 0.000 2.479 197 D HA 0.243 4.901 4.640 0.030 0.000 0.218 197 D C 0.774 177.077 176.300 0.006 0.000 1.131 197 D CA -0.458 53.536 54.000 -0.009 0.000 0.916 197 D CB 1.112 41.986 40.800 0.125 0.000 1.022 197 D HN 0.611 nan 8.370 nan 0.000 0.515 198 M N 1.596 121.155 119.600 -0.070 0.000 2.530 198 M HA 0.366 4.864 4.480 0.030 0.000 0.231 198 M C 1.371 177.635 176.300 -0.060 0.000 1.180 198 M CA -0.384 54.880 55.300 -0.060 0.000 0.985 198 M CB 0.675 33.190 32.600 -0.142 0.000 1.623 198 M HN 0.125 nan 8.290 nan 0.000 0.475 199 A N 1.194 123.976 122.820 -0.063 0.000 1.896 199 A HA -0.242 4.096 4.320 0.030 0.000 0.220 199 A C 2.111 179.614 177.584 -0.135 0.000 1.206 199 A CA 2.128 54.085 52.037 -0.133 0.000 0.647 199 A CB -1.359 17.535 19.000 -0.177 0.000 0.828 199 A HN 0.755 nan 8.150 nan 0.000 0.455 200 H N -0.513 118.517 119.070 -0.068 0.000 2.423 200 H HA -0.029 4.547 4.556 0.032 0.000 0.297 200 H C 1.872 177.066 175.328 -0.222 0.000 1.075 200 H CA 1.777 57.794 56.048 -0.051 0.000 1.342 200 H CB 0.001 29.861 29.762 0.162 0.000 1.395 200 H HN 0.729 nan 8.280 nan 0.000 0.530 201 I N -2.809 117.748 120.570 -0.021 0.000 4.018 201 I HA 0.345 4.533 4.170 0.030 0.000 0.337 201 I C 2.202 178.307 176.117 -0.021 0.000 1.327 201 I CA 0.206 61.454 61.300 -0.086 0.000 1.100 201 I CB 0.187 38.105 38.000 -0.137 0.000 1.025 201 I HN -0.098 nan 8.210 nan 0.000 0.396 202 A N 2.209 125.026 122.820 -0.005 0.000 1.940 202 A HA -0.074 4.264 4.320 0.030 0.000 0.219 202 A C 2.338 180.094 177.584 0.286 0.000 1.176 202 A CA 2.056 54.153 52.037 0.099 0.000 0.631 202 A CB -1.395 17.611 19.000 0.010 0.000 0.814 202 A HN 0.545 nan 8.150 nan 0.000 0.446 203 G N -0.298 108.644 108.800 0.236 0.000 2.408 203 G HA2 -0.108 3.870 3.960 0.030 0.000 0.217 203 G HA3 -0.108 3.870 3.960 0.030 0.000 0.217 203 G C 1.526 176.634 174.900 0.347 0.000 1.150 203 G CA 0.968 46.317 45.100 0.416 0.000 0.776 203 G HN 0.452 nan 8.290 nan 0.000 0.542 204 L N 0.278 121.609 121.223 0.180 0.000 2.056 204 L HA -0.058 4.300 4.340 0.030 0.000 0.207 204 L C 2.953 179.959 176.870 0.227 0.000 1.078 204 L CA 0.385 55.318 54.840 0.156 0.000 0.749 204 L CB -0.748 41.389 42.059 0.130 0.000 0.901 204 L HN 0.056 nan 8.230 nan 0.000 0.433 205 V N 0.650 120.724 119.914 0.267 0.000 2.287 205 V HA -0.329 3.809 4.120 0.030 0.000 0.248 205 V C 2.855 179.108 176.094 0.264 0.000 1.053 205 V CA 1.985 64.479 62.300 0.324 0.000 1.027 205 V CB -0.946 31.096 31.823 0.365 0.000 0.646 205 V HN 0.499 nan 8.190 nan 0.000 0.447 206 A N -0.279 122.681 122.820 0.232 0.000 1.978 206 A HA -0.068 4.270 4.320 0.030 0.000 0.220 206 A C 2.161 179.781 177.584 0.060 0.000 1.170 206 A CA 1.974 53.965 52.037 -0.077 0.000 0.636 206 A CB -0.536 18.338 19.000 -0.210 0.000 0.810 206 A HN 0.642 nan 8.150 nan 0.000 0.448 207 A N -1.906 121.029 122.820 0.192 0.000 2.275 207 A HA 0.441 4.779 4.320 0.030 0.000 0.212 207 A C 1.657 179.307 177.584 0.110 0.000 1.201 207 A CA 1.039 53.177 52.037 0.168 0.000 0.843 207 A CB -0.894 18.199 19.000 0.155 0.000 0.873 207 A HN 1.871 nan 8.150 nan 0.000 0.492 208 G N -0.815 108.057 108.800 0.119 0.000 2.160 208 G HA2 -0.245 3.733 3.960 0.030 0.000 0.251 208 G HA3 -0.245 3.733 3.960 0.030 0.000 0.251 208 G C 0.535 175.502 174.900 0.113 0.000 1.008 208 G CA 0.578 45.745 45.100 0.112 0.000 0.724 208 G HN 0.539 nan 8.290 nan 0.000 0.514 209 L N -0.481 120.823 121.223 0.135 0.000 2.640 209 L HA 0.366 4.723 4.340 0.030 0.000 0.230 209 L C 0.904 177.880 176.870 0.177 0.000 1.123 209 L CA -0.173 54.738 54.840 0.117 0.000 0.900 209 L CB 0.270 42.377 42.059 0.081 0.000 1.146 209 L HN 0.415 nan 8.230 nan 0.000 0.484 210 H N 0.444 119.591 119.070 0.128 0.000 2.894 210 H HA 0.359 4.933 4.556 0.030 0.000 0.367 210 H C -2.710 172.741 175.328 0.206 0.000 1.144 210 H CA -1.824 54.319 56.048 0.158 0.000 1.180 210 H CB 2.779 32.657 29.762 0.192 0.000 1.758 210 H HN -0.250 nan 8.280 nan 0.000 0.541 211 P HA -0.058 nan 4.420 nan 0.000 0.265 211 P C -0.204 177.455 177.300 0.600 0.000 1.187 211 P CA 0.135 63.416 63.100 0.302 0.000 0.766 211 P CB 0.492 32.287 31.700 0.158 0.000 0.820 212 N N 4.074 123.041 118.700 0.444 0.000 2.430 212 N HA 0.089 4.847 4.740 0.030 0.000 0.265 212 N C -1.488 174.205 175.510 0.304 0.000 1.100 212 N CA -2.204 51.054 53.050 0.347 0.000 0.961 212 N CB 0.410 39.040 38.487 0.239 0.000 1.075 212 N HN 0.221 nan 8.380 nan 0.000 0.478 213 P HA -0.068 nan 4.420 nan 0.000 0.225 213 P C 1.368 178.595 177.300 -0.121 0.000 1.156 213 P CA 0.384 63.212 63.100 -0.453 0.000 0.787 213 P CB 0.500 31.518 31.700 -1.136 0.000 0.802 214 V N 1.965 121.831 119.914 -0.080 0.000 2.278 214 V HA -0.181 3.957 4.120 0.030 0.000 0.251 214 V C -0.243 175.791 176.094 -0.099 0.000 1.062 214 V CA 2.736 64.991 62.300 -0.075 0.000 1.038 214 V CB -2.533 29.277 31.823 -0.022 0.000 0.646 214 V HN 0.206 nan 8.190 nan 0.000 0.447 215 P HA -0.102 nan 4.420 nan 0.000 0.225 215 P C 0.842 177.890 177.300 -0.420 0.000 1.148 215 P CA 1.440 64.338 63.100 -0.337 0.000 0.779 215 P CB -0.068 31.316 31.700 -0.527 0.000 0.780 216 Y N -1.462 118.813 120.300 -0.043 0.000 2.498 216 Y HA 0.447 5.014 4.550 0.029 0.000 0.259 216 Y C 1.293 177.123 175.900 -0.117 0.000 1.086 216 Y CA -0.364 57.715 58.100 -0.034 0.000 1.287 216 Y CB -0.251 38.261 38.460 0.085 0.000 1.146 216 Y HN -0.208 nan 8.280 nan 0.000 0.523 217 A N -0.522 122.284 122.820 -0.023 0.000 2.312 217 A HA 0.395 4.733 4.320 0.030 0.000 0.326 217 A C -0.108 177.354 177.584 -0.204 0.000 1.172 217 A CA -0.426 51.556 52.037 -0.092 0.000 0.821 217 A CB 0.328 19.277 19.000 -0.085 0.000 1.166 217 A HN 0.458 nan 8.150 nan 0.000 0.493 218 H N 0.900 119.908 119.070 -0.105 0.000 2.389 218 H HA 0.113 4.687 4.556 0.029 0.000 0.299 218 H C -0.654 174.185 175.328 -0.814 0.000 1.081 218 H CA 2.048 57.848 56.048 -0.414 0.000 1.345 218 H CB -0.023 29.374 29.762 -0.608 0.000 1.393 218 H HN 0.579 nan 8.280 nan 0.000 0.520 219 F N -0.449 119.525 119.950 0.041 0.000 2.556 219 F HA 0.479 5.024 4.527 0.029 0.000 0.314 219 F C -0.861 174.892 175.800 -0.079 0.000 1.106 219 F CA -1.204 56.770 58.000 -0.044 0.000 0.911 219 F CB 1.945 40.874 39.000 -0.117 0.000 1.190 219 F HN -0.336 nan 8.300 nan 0.000 0.448 220 V N 1.752 121.700 119.914 0.055 0.000 2.444 220 V HA 0.578 4.716 4.120 0.030 0.000 0.294 220 V C -0.234 175.810 176.094 -0.083 0.000 1.022 220 V CA -0.710 61.544 62.300 -0.076 0.000 0.850 220 V CB 1.926 33.637 31.823 -0.186 0.000 0.992 220 V HN 0.891 nan 8.190 nan 0.000 0.426 221 T N 0.848 115.346 114.554 -0.095 0.000 2.945 221 T HA 0.834 5.202 4.350 0.030 0.000 0.286 221 T C -0.308 174.309 174.700 -0.139 0.000 1.025 221 T CA -0.660 61.378 62.100 -0.104 0.000 1.039 221 T CB 2.122 70.937 68.868 -0.088 0.000 1.068 221 T HN 0.729 nan 8.240 nan 0.000 0.497 222 T N 0.554 115.026 114.554 -0.136 0.000 2.830 222 T HA 0.568 4.935 4.350 0.030 0.000 0.322 222 T C -0.631 173.991 174.700 -0.130 0.000 1.501 222 T CA -0.434 61.572 62.100 -0.156 0.000 1.036 222 T CB 1.348 70.081 68.868 -0.225 0.000 1.379 222 T HN 1.176 nan 8.240 nan 0.000 0.493 223 T N 0.342 114.781 114.554 -0.191 0.000 2.882 223 T HA 0.410 4.777 4.350 0.030 0.000 0.287 223 T C 1.566 176.185 174.700 -0.136 0.000 1.014 223 T CA 0.197 62.148 62.100 -0.248 0.000 1.049 223 T CB 0.988 69.434 68.868 -0.703 0.000 1.001 223 T HN 0.768 nan 8.240 nan 0.000 0.525 224 T N -2.098 112.461 114.554 0.009 0.000 3.051 224 T HA 0.036 4.403 4.350 0.030 0.000 0.255 224 T C 1.083 175.851 174.700 0.114 0.000 1.085 224 T CA 0.175 62.355 62.100 0.133 0.000 1.109 224 T CB -0.540 68.428 68.868 0.167 0.000 0.921 224 T HN 0.899 nan 8.240 nan 0.000 0.488 225 H N 1.336 120.408 119.070 0.004 0.000 2.408 225 H HA 0.584 5.160 4.556 0.033 0.000 0.345 225 H C 0.465 175.769 175.328 -0.040 0.000 1.547 225 H CA -0.447 55.590 56.048 -0.018 0.000 1.447 225 H CB 0.581 30.317 29.762 -0.043 0.000 1.686 225 H HN 0.183 nan 8.280 nan 0.000 0.625 226 K N -2.008 118.376 120.400 -0.027 0.000 6.434 226 K HA -0.213 4.125 4.320 0.030 0.000 0.338 226 K C 1.441 178.022 176.600 -0.032 0.000 1.684 226 K CA 1.049 57.257 56.287 -0.131 0.000 0.888 226 K CB -1.859 30.427 32.500 -0.357 0.000 0.989 226 K HN 0.796 nan 8.250 nan 0.000 0.457 227 T N 0.050 114.558 114.554 -0.077 0.000 2.962 227 T HA -0.076 4.292 4.350 0.030 0.000 0.270 227 T C 1.708 176.574 174.700 0.278 0.000 1.088 227 T CA 1.515 63.639 62.100 0.040 0.000 1.127 227 T CB -0.043 68.746 68.868 -0.133 0.000 0.883 227 T HN 0.326 nan 8.240 nan 0.000 0.493 228 L N 1.213 122.565 121.223 0.215 0.000 2.362 228 L HA 0.298 4.656 4.340 0.030 0.000 0.219 228 L C 1.670 178.693 176.870 0.256 0.000 1.134 228 L CA 1.115 56.120 54.840 0.275 0.000 0.807 228 L CB -1.176 41.003 42.059 0.200 0.000 0.927 228 L HN 0.468 nan 8.230 nan 0.000 0.447 229 R N -1.234 119.399 120.500 0.221 0.000 3.651 229 R HA -0.150 4.208 4.340 0.030 0.000 0.292 229 R C 0.486 176.846 176.300 0.099 0.000 1.161 229 R CA 0.407 56.611 56.100 0.174 0.000 0.787 229 R CB -1.756 28.691 30.300 0.245 0.000 1.249 229 R HN 0.558 nan 8.270 nan 0.000 0.476 230 G N 0.123 108.977 108.800 0.091 0.000 2.753 230 G HA2 0.677 4.654 3.960 0.030 0.000 0.285 230 G HA3 0.677 4.654 3.960 0.030 0.000 0.285 230 G C -2.537 172.386 174.900 0.039 0.000 1.344 230 G CA -0.982 44.138 45.100 0.034 0.000 1.050 230 G HN 0.117 nan 8.290 nan 0.000 0.532 231 P HA 0.161 nan 4.420 nan 0.000 0.273 231 P C -0.525 176.778 177.300 0.005 0.000 1.250 231 P CA -0.492 62.590 63.100 -0.030 0.000 0.793 231 P CB 0.963 32.616 31.700 -0.079 0.000 1.011 232 R N 0.272 120.711 120.500 -0.102 0.000 2.351 232 R HA 0.491 4.849 4.340 0.030 0.000 0.318 232 R C 0.376 176.649 176.300 -0.044 0.000 1.055 232 R CA 0.674 56.622 56.100 -0.252 0.000 0.968 232 R CB -0.613 29.448 30.300 -0.397 0.000 0.974 232 R HN 0.845 nan 8.270 nan 0.000 0.439 233 G N 1.338 110.241 108.800 0.172 0.000 2.320 233 G HA2 0.408 4.386 3.960 0.030 0.000 0.296 233 G HA3 0.408 4.386 3.960 0.030 0.000 0.296 233 G C -1.306 173.689 174.900 0.158 0.000 1.306 233 G CA -0.409 44.769 45.100 0.129 0.000 0.836 233 G HN 0.769 nan 8.290 nan 0.000 0.517 234 G N -1.367 107.486 108.800 0.088 0.000 2.685 234 G HA2 0.830 4.808 3.960 0.030 0.000 0.298 234 G HA3 0.830 4.808 3.960 0.030 0.000 0.298 234 G C -0.799 174.128 174.900 0.045 0.000 1.277 234 G CA -0.389 44.739 45.100 0.047 0.000 0.986 234 G HN 1.216 nan 8.290 nan 0.000 0.487 235 M N -0.145 119.463 119.600 0.013 0.000 2.471 235 M HA 0.606 5.104 4.480 0.030 0.000 0.284 235 M C -2.126 174.152 176.300 -0.037 0.000 1.203 235 M CA -0.645 54.663 55.300 0.013 0.000 0.915 235 M CB 2.163 34.793 32.600 0.050 0.000 1.734 235 M HN 0.400 nan 8.290 nan 0.000 0.485 236 I N 4.580 125.137 120.570 -0.021 0.000 2.465 236 I HA 0.496 4.684 4.170 0.030 0.000 0.291 236 I C -1.270 174.836 176.117 -0.019 0.000 1.014 236 I CA -0.742 60.550 61.300 -0.013 0.000 1.093 236 I CB 1.969 39.993 38.000 0.039 0.000 1.267 236 I HN 0.599 nan 8.210 nan 0.000 0.431 237 L N 6.126 127.330 121.223 -0.032 0.000 2.346 237 L HA 0.806 5.163 4.340 0.030 0.000 0.274 237 L C -0.518 176.394 176.870 0.070 0.000 1.007 237 L CA -0.620 54.206 54.840 -0.022 0.000 0.818 237 L CB 1.889 43.877 42.059 -0.118 0.000 1.284 237 L HN 0.802 nan 8.230 nan 0.000 0.424 238 C N -0.145 119.228 119.300 0.122 0.000 3.306 238 C HA 0.477 4.955 4.460 0.030 0.000 0.335 238 C C -0.791 174.284 174.990 0.142 0.000 1.382 238 C CA -1.041 58.065 59.018 0.147 0.000 1.254 238 C CB 1.828 29.740 27.740 0.287 0.000 1.555 238 C HN 0.871 nan 8.230 nan 0.000 0.463 239 Q N 0.940 120.816 119.800 0.126 0.000 2.417 239 Q HA 0.225 4.583 4.340 0.030 0.000 0.241 239 Q C 0.655 176.659 176.000 0.006 0.000 1.008 239 Q CA 0.060 55.891 55.803 0.046 0.000 0.901 239 Q CB 0.931 29.657 28.738 -0.021 0.000 1.259 239 Q HN 0.856 nan 8.270 nan 0.000 0.489 240 E N 1.491 121.664 120.200 -0.046 0.000 2.171 240 E HA -0.277 4.090 4.350 0.030 0.000 0.197 240 E C 1.968 178.461 176.600 -0.177 0.000 0.997 240 E CA 2.284 58.630 56.400 -0.089 0.000 0.810 240 E CB -0.070 29.587 29.700 -0.072 0.000 0.738 240 E HN 0.775 nan 8.360 nan 0.000 0.467 241 Q N -1.290 118.331 119.800 -0.298 0.000 2.291 241 Q HA -0.157 4.201 4.340 0.030 0.000 0.206 241 Q C 1.024 176.729 176.000 -0.492 0.000 0.976 241 Q CA 1.471 57.000 55.803 -0.458 0.000 0.875 241 Q CB -0.309 28.039 28.738 -0.650 0.000 0.927 241 Q HN 0.335 nan 8.270 nan 0.000 0.450 242 F N -0.163 119.775 119.950 -0.021 0.000 2.678 242 F HA 0.498 5.042 4.527 0.029 0.000 0.305 242 F C 2.086 177.878 175.800 -0.014 0.000 1.090 242 F CA -0.239 57.784 58.000 0.039 0.000 1.272 242 F CB -0.050 39.032 39.000 0.138 0.000 1.060 242 F HN 0.133 nan 8.300 nan 0.000 0.576 243 A N 0.780 123.568 122.820 -0.053 0.000 1.892 243 A HA -0.271 4.067 4.320 0.030 0.000 0.218 243 A C 2.351 179.746 177.584 -0.317 0.000 1.188 243 A CA 2.147 53.921 52.037 -0.438 0.000 0.631 243 A CB -0.637 17.856 19.000 -0.845 0.000 0.822 243 A HN 0.330 nan 8.150 nan 0.000 0.447 244 K N -0.741 119.549 120.400 -0.183 0.000 2.026 244 K HA -0.205 4.133 4.320 0.030 0.000 0.208 244 K C 2.323 178.913 176.600 -0.016 0.000 1.048 244 K CA 1.753 57.978 56.287 -0.104 0.000 0.929 244 K CB -0.204 32.259 32.500 -0.061 0.000 0.713 244 K HN 0.646 nan 8.250 nan 0.000 0.439 245 Q N 0.146 119.974 119.800 0.047 0.000 2.084 245 Q HA -0.132 4.226 4.340 0.030 0.000 0.202 245 Q C 2.098 178.159 176.000 0.102 0.000 0.978 245 Q CA 1.208 57.066 55.803 0.091 0.000 0.844 245 Q CB 0.005 28.828 28.738 0.142 0.000 0.898 245 Q HN 0.302 nan 8.270 nan 0.000 0.426 246 I N 1.341 121.986 120.570 0.125 0.000 2.179 246 I HA -0.250 3.938 4.170 0.030 0.000 0.242 246 I C 1.585 177.778 176.117 0.127 0.000 1.088 246 I CA 1.445 62.826 61.300 0.134 0.000 1.357 246 I CB -1.016 37.114 38.000 0.217 0.000 1.051 246 I HN 0.221 nan 8.210 nan 0.000 0.409 247 D N 0.984 121.420 120.400 0.061 0.000 2.123 247 D HA -0.181 4.477 4.640 0.030 0.000 0.196 247 D C 2.209 178.634 176.300 0.209 0.000 0.992 247 D CA 1.213 55.209 54.000 -0.007 0.000 0.833 247 D CB -0.151 40.378 40.800 -0.452 0.000 0.954 247 D HN 0.332 nan 8.370 nan 0.000 0.455 248 K N 0.435 120.927 120.400 0.152 0.000 2.148 248 K HA -0.001 4.337 4.320 0.030 0.000 0.204 248 K C 2.096 178.810 176.600 0.189 0.000 1.050 248 K CA 0.917 57.312 56.287 0.180 0.000 0.942 248 K CB -0.014 32.559 32.500 0.122 0.000 0.724 248 K HN 0.027 nan 8.250 nan 0.000 0.446 249 A N 1.626 124.569 122.820 0.204 0.000 1.877 249 A HA -0.164 4.174 4.320 0.030 0.000 0.216 249 A C 2.058 179.715 177.584 0.121 0.000 1.186 249 A CA 1.222 53.415 52.037 0.261 0.000 0.620 249 A CB -0.385 18.759 19.000 0.239 0.000 0.822 249 A HN 0.093 nan 8.150 nan 0.000 0.443 250 I N -2.752 117.911 120.570 0.156 0.000 2.202 250 I HA 0.030 4.218 4.170 0.030 0.000 0.242 250 I C 0.538 176.772 176.117 0.195 0.000 1.091 250 I CA 1.292 62.672 61.300 0.134 0.000 1.368 250 I CB -0.548 37.567 38.000 0.192 0.000 1.058 250 I HN 0.342 nan 8.210 nan 0.000 0.410 251 F N 2.291 122.323 119.950 0.137 0.000 2.588 251 F HA 0.400 4.947 4.527 0.033 0.000 0.318 251 F C -2.233 173.674 175.800 0.180 0.000 1.155 251 F CA -1.785 56.273 58.000 0.097 0.000 0.967 251 F CB 1.986 40.998 39.000 0.019 0.000 1.236 251 F HN -0.245 nan 8.300 nan 0.000 0.455 252 P HA 0.173 nan 4.420 nan 0.000 0.255 252 P C 0.929 177.989 177.300 -0.399 0.000 1.357 252 P CA 0.529 63.001 63.100 -1.047 0.000 0.839 252 P CB 0.329 31.462 31.700 -0.945 0.000 1.356 253 G N 2.221 110.914 108.800 -0.179 0.000 2.524 253 G HA2 -0.191 3.787 3.960 0.030 0.000 0.215 253 G HA3 -0.191 3.787 3.960 0.030 0.000 0.215 253 G C 1.299 175.915 174.900 -0.474 0.000 1.239 253 G CA 1.094 46.065 45.100 -0.216 0.000 0.798 253 G HN 0.435 nan 8.290 nan 0.000 0.557 254 I N -3.561 116.789 120.570 -0.365 0.000 4.323 254 I HA 0.432 4.619 4.170 0.030 0.000 0.328 254 I C 0.692 176.715 176.117 -0.157 0.000 1.310 254 I CA -0.186 60.901 61.300 -0.355 0.000 1.186 254 I CB 0.519 38.279 38.000 -0.400 0.000 1.130 254 I HN 0.054 nan 8.210 nan 0.000 0.411 255 Q N 0.972 120.741 119.800 -0.052 0.000 2.572 255 Q HA 0.652 5.010 4.340 0.030 0.000 0.284 255 Q C -0.019 176.125 176.000 0.240 0.000 1.091 255 Q CA -0.434 55.398 55.803 0.048 0.000 0.840 255 Q CB 2.279 30.954 28.738 -0.106 0.000 1.433 255 Q HN 0.278 nan 8.270 nan 0.000 0.471 256 G N -0.466 108.495 108.800 0.270 0.000 3.434 256 G HA2 0.450 4.428 3.960 0.030 0.000 0.197 256 G HA3 0.450 4.428 3.960 0.030 0.000 0.197 256 G C -0.247 174.730 174.900 0.128 0.000 1.559 256 G CA -0.144 45.166 45.100 0.350 0.000 0.852 256 G HN 0.581 nan 8.290 nan 0.000 0.682 257 G N 1.861 110.764 108.800 0.173 0.000 2.365 257 G HA2 0.483 4.461 3.960 0.030 0.000 0.249 257 G HA3 0.483 4.461 3.960 0.030 0.000 0.249 257 G C -2.058 172.822 174.900 -0.034 0.000 1.288 257 G CA -0.321 44.776 45.100 -0.004 0.000 0.887 257 G HN 0.382 nan 8.290 nan 0.000 0.524 258 P HA 0.192 nan 4.420 nan 0.000 0.276 258 P C -0.178 177.108 177.300 -0.023 0.000 1.252 258 P CA -0.504 62.576 63.100 -0.034 0.000 0.802 258 P CB 1.267 32.886 31.700 -0.136 0.000 1.035 259 L N 2.318 123.543 121.223 0.004 0.000 2.328 259 L HA 0.156 4.513 4.340 0.030 0.000 0.280 259 L C 1.786 178.556 176.870 -0.166 0.000 1.111 259 L CA -0.532 54.239 54.840 -0.116 0.000 0.909 259 L CB 0.016 41.924 42.059 -0.250 0.000 1.277 259 L HN 0.224 nan 8.230 nan 0.000 0.433 260 M N 1.418 121.015 119.600 -0.006 0.000 2.159 260 M HA -0.148 4.350 4.480 0.030 0.000 0.263 260 M C 2.396 178.706 176.300 0.016 0.000 1.063 260 M CA 1.539 56.843 55.300 0.007 0.000 1.110 260 M CB -1.095 31.525 32.600 0.034 0.000 1.374 260 M HN 0.639 nan 8.290 nan 0.000 0.411 261 H N -0.652 118.386 119.070 -0.053 0.000 2.353 261 H HA 0.006 4.570 4.556 0.013 0.000 0.300 261 H C 2.101 177.396 175.328 -0.055 0.000 1.090 261 H CA 1.543 57.560 56.048 -0.050 0.000 1.327 261 H CB -1.478 28.254 29.762 -0.051 0.000 1.383 261 H HN 0.252 nan 8.280 nan 0.000 0.508 262 V N 1.684 121.288 119.914 -0.518 0.000 2.427 262 V HA -0.176 3.962 4.120 0.030 0.000 0.248 262 V C 2.995 178.969 176.094 -0.200 0.000 1.051 262 V CA 1.467 63.569 62.300 -0.329 0.000 1.048 262 V CB -0.565 31.044 31.823 -0.357 0.000 0.666 262 V HN 0.252 nan 8.190 nan 0.000 0.456 263 I N 0.628 121.097 120.570 -0.168 0.000 2.226 263 I HA -0.240 3.947 4.170 0.030 0.000 0.245 263 I C 2.709 178.751 176.117 -0.124 0.000 1.100 263 I CA 1.396 62.624 61.300 -0.120 0.000 1.374 263 I CB -0.606 37.353 38.000 -0.069 0.000 1.057 263 I HN 0.295 nan 8.210 nan 0.000 0.413 264 A N 0.958 123.725 122.820 -0.088 0.000 1.883 264 A HA -0.247 4.091 4.320 0.030 0.000 0.217 264 A C 2.560 180.073 177.584 -0.118 0.000 1.186 264 A CA 2.155 54.149 52.037 -0.072 0.000 0.624 264 A CB -0.927 18.059 19.000 -0.024 0.000 0.822 264 A HN 0.445 nan 8.150 nan 0.000 0.444 265 A N -0.465 122.280 122.820 -0.126 0.000 1.933 265 A HA -0.167 4.171 4.320 0.030 0.000 0.218 265 A C 2.098 179.527 177.584 -0.258 0.000 1.175 265 A CA 1.850 53.799 52.037 -0.146 0.000 0.628 265 A CB -0.428 18.503 19.000 -0.114 0.000 0.814 265 A HN 0.580 nan 8.150 nan 0.000 0.444 266 K N -0.271 119.922 120.400 -0.346 0.000 2.032 266 K HA -0.104 4.234 4.320 0.030 0.000 0.209 266 K C 2.371 178.349 176.600 -1.036 0.000 1.048 266 K CA 1.203 57.065 56.287 -0.709 0.000 0.927 266 K CB -0.400 31.750 32.500 -0.583 0.000 0.712 266 K HN 0.434 nan 8.250 nan 0.000 0.441 267 A N 1.187 123.686 122.820 -0.534 0.000 1.892 267 A HA -0.180 4.158 4.320 0.030 0.000 0.218 267 A C 2.422 179.881 177.584 -0.208 0.000 1.188 267 A CA 1.882 53.751 52.037 -0.280 0.000 0.631 267 A CB -0.912 18.029 19.000 -0.099 0.000 0.822 267 A HN 0.094 nan 8.150 nan 0.000 0.447 268 V N -0.199 119.601 119.914 -0.190 0.000 2.287 268 V HA -0.280 3.858 4.120 0.030 0.000 0.248 268 V C 3.070 179.090 176.094 -0.123 0.000 1.053 268 V CA 2.130 64.360 62.300 -0.117 0.000 1.027 268 V CB -1.385 30.384 31.823 -0.091 0.000 0.646 268 V HN 0.648 nan 8.190 nan 0.000 0.447 269 A N -0.496 122.203 122.820 -0.202 0.000 1.908 269 A HA -0.186 4.152 4.320 0.030 0.000 0.218 269 A C 2.140 179.697 177.584 -0.045 0.000 1.181 269 A CA 1.900 53.849 52.037 -0.147 0.000 0.627 269 A CB -0.765 18.133 19.000 -0.171 0.000 0.818 269 A HN 0.554 nan 8.150 nan 0.000 0.445 270 F N -0.031 119.856 119.950 -0.105 0.000 2.146 270 F HA -0.094 4.458 4.527 0.042 0.000 0.298 270 F C 2.737 178.448 175.800 -0.149 0.000 1.096 270 F CA 0.245 58.164 58.000 -0.135 0.000 1.275 270 F CB -0.591 38.366 39.000 -0.073 0.000 1.008 270 F HN 0.366 nan 8.300 nan 0.000 0.480 271 G N 0.365 109.207 108.800 0.069 0.000 2.446 271 G HA2 -0.255 3.723 3.960 0.030 0.000 0.217 271 G HA3 -0.255 3.723 3.960 0.030 0.000 0.217 271 G C 1.375 176.263 174.900 -0.020 0.000 1.168 271 G CA 0.979 46.087 45.100 0.013 0.000 0.771 271 G HN 0.349 nan 8.290 nan 0.000 0.551 272 E N 0.523 120.699 120.200 -0.042 0.000 2.077 272 E HA -0.047 4.321 4.350 0.030 0.000 0.193 272 E C 2.888 179.419 176.600 -0.115 0.000 0.989 272 E CA 0.798 57.173 56.400 -0.041 0.000 0.800 272 E CB -0.200 29.482 29.700 -0.030 0.000 0.746 272 E HN 0.426 nan 8.360 nan 0.000 0.452 273 A N 0.931 123.546 122.820 -0.341 0.000 2.015 273 A HA -0.095 4.243 4.320 0.030 0.000 0.219 273 A C 2.094 179.522 177.584 -0.261 0.000 1.163 273 A CA 0.769 52.364 52.037 -0.737 0.000 0.646 273 A CB -0.415 18.052 19.000 -0.888 0.000 0.806 273 A HN 0.135 nan 8.150 nan 0.000 0.448 274 L N -0.483 120.657 121.223 -0.137 0.000 2.376 274 L HA -0.093 4.265 4.340 0.030 0.000 0.219 274 L C 0.987 177.860 176.870 0.006 0.000 1.133 274 L CA 0.296 55.097 54.840 -0.066 0.000 0.816 274 L CB -0.291 41.736 42.059 -0.052 0.000 0.933 274 L HN 0.490 nan 8.230 nan 0.000 0.449 275 Q N -0.161 119.664 119.800 0.041 0.000 2.354 275 Q HA -0.021 4.336 4.340 0.030 0.000 0.244 275 Q C 0.451 176.525 176.000 0.123 0.000 0.969 275 Q CA -0.574 55.275 55.803 0.076 0.000 0.885 275 Q CB 0.934 29.722 28.738 0.083 0.000 1.241 275 Q HN 0.030 nan 8.270 nan 0.000 0.461 276 D N 1.569 122.025 120.400 0.093 0.000 2.158 276 D HA -0.190 4.468 4.640 0.030 0.000 0.197 276 D C 1.252 177.624 176.300 0.120 0.000 0.995 276 D CA 1.612 55.669 54.000 0.095 0.000 0.846 276 D CB -0.101 40.738 40.800 0.065 0.000 0.941 276 D HN 0.650 nan 8.370 nan 0.000 0.456 277 D N -0.266 120.210 120.400 0.127 0.000 2.264 277 D HA -0.172 4.486 4.640 0.030 0.000 0.208 277 D C 1.925 178.336 176.300 0.186 0.000 0.966 277 D CA 0.247 54.325 54.000 0.129 0.000 0.864 277 D CB -0.971 39.891 40.800 0.103 0.000 0.933 277 D HN 0.271 nan 8.370 nan 0.000 0.499 278 F N 1.169 121.180 119.950 0.102 0.000 2.186 278 F HA -0.007 4.537 4.527 0.029 0.000 0.299 278 F C 1.973 177.885 175.800 0.187 0.000 1.090 278 F CA 1.067 59.167 58.000 0.167 0.000 1.307 278 F CB 0.083 39.155 39.000 0.119 0.000 1.019 278 F HN -0.244 nan 8.300 nan 0.000 0.489 279 K N 0.666 121.195 120.400 0.215 0.000 2.063 279 K HA -0.102 4.236 4.320 0.030 0.000 0.208 279 K C 2.274 178.871 176.600 -0.004 0.000 1.048 279 K CA 1.436 57.780 56.287 0.095 0.000 0.928 279 K CB -0.946 31.621 32.500 0.111 0.000 0.713 279 K HN 0.322 nan 8.250 nan 0.000 0.442 280 A N -0.029 122.810 122.820 0.031 0.000 1.902 280 A HA -0.205 4.133 4.320 0.030 0.000 0.217 280 A C 2.151 179.727 177.584 -0.014 0.000 1.181 280 A CA 1.601 53.648 52.037 0.017 0.000 0.623 280 A CB -0.904 18.126 19.000 0.050 0.000 0.818 280 A HN 0.448 nan 8.150 nan 0.000 0.443 281 Y N 0.883 121.097 120.300 -0.144 0.000 2.097 281 Y HA -0.174 4.397 4.550 0.035 0.000 0.282 281 Y C 2.576 178.324 175.900 -0.253 0.000 1.152 281 Y CA 1.551 59.530 58.100 -0.203 0.000 1.136 281 Y CB -0.810 37.475 38.460 -0.291 0.000 0.975 281 Y HN 0.282 nan 8.280 nan 0.000 0.498 282 A N 0.467 122.870 122.820 -0.694 0.000 1.933 282 A HA -0.208 4.130 4.320 0.030 0.000 0.218 282 A C 2.360 179.734 177.584 -0.351 0.000 1.175 282 A CA 1.882 53.519 52.037 -0.666 0.000 0.628 282 A CB -0.813 17.927 19.000 -0.434 0.000 0.814 282 A HN 0.571 nan 8.150 nan 0.000 0.444 283 K N -0.428 119.845 120.400 -0.211 0.000 2.057 283 K HA -0.121 4.217 4.320 0.030 0.000 0.206 283 K C 2.263 178.794 176.600 -0.114 0.000 1.050 283 K CA 1.199 57.419 56.287 -0.112 0.000 0.935 283 K CB -0.163 32.305 32.500 -0.053 0.000 0.715 283 K HN 0.439 nan 8.250 nan 0.000 0.439 284 R N 0.187 120.603 120.500 -0.139 0.000 2.096 284 R HA -0.095 4.263 4.340 0.030 0.000 0.235 284 R C 2.267 178.490 176.300 -0.128 0.000 1.127 284 R CA 1.227 57.270 56.100 -0.094 0.000 0.968 284 R CB -0.332 29.944 30.300 -0.039 0.000 0.861 284 R HN 0.062 nan 8.270 nan 0.000 0.440 285 V N 0.612 120.359 119.914 -0.279 0.000 2.255 285 V HA -0.249 3.888 4.120 0.030 0.000 0.247 285 V C 2.383 178.425 176.094 -0.086 0.000 1.051 285 V CA 1.852 64.015 62.300 -0.228 0.000 1.018 285 V CB -0.405 31.182 31.823 -0.393 0.000 0.641 285 V HN 0.118 nan 8.190 nan 0.000 0.445 286 V N 0.065 119.931 119.914 -0.079 0.000 2.358 286 V HA -0.232 3.906 4.120 0.030 0.000 0.246 286 V C 2.285 178.372 176.094 -0.012 0.000 1.047 286 V CA 2.117 64.406 62.300 -0.017 0.000 1.035 286 V CB -0.773 31.047 31.823 -0.004 0.000 0.658 286 V HN 0.535 nan 8.190 nan 0.000 0.452 287 D N 0.408 120.794 120.400 -0.022 0.000 2.104 287 D HA -0.154 4.503 4.640 0.030 0.000 0.194 287 D C 2.078 178.380 176.300 0.003 0.000 0.994 287 D CA 1.295 55.291 54.000 -0.007 0.000 0.830 287 D CB -0.439 40.356 40.800 -0.008 0.000 0.959 287 D HN 0.352 nan 8.370 nan 0.000 0.452 288 N N 0.511 119.214 118.700 0.004 0.000 2.120 288 N HA -0.088 4.670 4.740 0.030 0.000 0.188 288 N C 1.709 177.233 175.510 0.024 0.000 1.024 288 N CA 1.273 54.338 53.050 0.026 0.000 0.852 288 N CB -0.425 38.088 38.487 0.044 0.000 1.003 288 N HN 0.138 nan 8.380 nan 0.000 0.424 289 A N 0.967 123.795 122.820 0.013 0.000 1.877 289 A HA -0.150 4.188 4.320 0.030 0.000 0.216 289 A C 2.227 179.812 177.584 0.002 0.000 1.186 289 A CA 1.605 53.645 52.037 0.005 0.000 0.620 289 A CB -0.429 18.573 19.000 0.002 0.000 0.822 289 A HN 0.144 nan 8.150 nan 0.000 0.443 290 K N -0.635 119.767 120.400 0.004 0.000 2.032 290 K HA -0.143 4.195 4.320 0.030 0.000 0.209 290 K C 2.256 178.862 176.600 0.011 0.000 1.048 290 K CA 1.728 58.018 56.287 0.005 0.000 0.927 290 K CB -0.213 32.290 32.500 0.005 0.000 0.712 290 K HN 0.361 nan 8.250 nan 0.000 0.441 291 R N 0.498 121.008 120.500 0.015 0.000 2.073 291 R HA -0.076 4.282 4.340 0.030 0.000 0.234 291 R C 1.998 178.313 176.300 0.026 0.000 1.134 291 R CA 1.288 57.400 56.100 0.021 0.000 0.952 291 R CB -0.870 29.445 30.300 0.024 0.000 0.850 291 R HN 0.202 nan 8.270 nan 0.000 0.433 292 L N 0.256 121.495 121.223 0.026 0.000 2.046 292 L HA 0.027 4.384 4.340 0.030 0.000 0.208 292 L C 2.097 178.981 176.870 0.022 0.000 1.077 292 L CA 2.199 57.055 54.840 0.027 0.000 0.747 292 L CB -1.078 40.995 42.059 0.024 0.000 0.896 292 L HN 0.282 nan 8.230 nan 0.000 0.432 293 A N -1.390 121.438 122.820 0.013 0.000 1.865 293 A HA -0.228 4.110 4.320 0.030 0.000 0.217 293 A C 2.396 180.001 177.584 0.035 0.000 1.191 293 A CA 2.238 54.284 52.037 0.015 0.000 0.623 293 A CB -1.117 17.885 19.000 0.002 0.000 0.826 293 A HN 0.525 nan 8.150 nan 0.000 0.444 294 S N -0.197 115.521 115.700 0.030 0.000 2.368 294 S HA -0.059 4.428 4.470 0.030 0.000 0.225 294 S C 2.294 176.922 174.600 0.047 0.000 1.030 294 S CA 1.272 59.493 58.200 0.034 0.000 0.999 294 S CB -0.508 62.707 63.200 0.024 0.000 0.844 294 S HN 0.816 nan 8.310 nan 0.000 0.459 295 A N 1.265 124.114 122.820 0.049 0.000 1.930 295 A HA 0.024 4.362 4.320 0.030 0.000 0.217 295 A C 2.119 179.764 177.584 0.102 0.000 1.175 295 A CA 1.049 53.123 52.037 0.061 0.000 0.627 295 A CB -0.677 18.355 19.000 0.053 0.000 0.815 295 A HN 0.443 nan 8.150 nan 0.000 0.443 296 L N -0.914 120.380 121.223 0.118 0.000 2.046 296 L HA -0.263 4.094 4.340 0.030 0.000 0.208 296 L C 2.903 179.939 176.870 0.276 0.000 1.077 296 L CA 1.647 56.624 54.840 0.230 0.000 0.747 296 L CB -0.535 41.593 42.059 0.115 0.000 0.896 296 L HN 0.481 nan 8.230 nan 0.000 0.432 297 Q N -0.388 119.504 119.800 0.153 0.000 2.124 297 Q HA -0.187 4.171 4.340 0.030 0.000 0.202 297 Q C 1.952 177.990 176.000 0.063 0.000 0.977 297 Q CA 1.373 57.240 55.803 0.107 0.000 0.850 297 Q CB -0.123 28.657 28.738 0.069 0.000 0.901 297 Q HN 0.471 nan 8.270 nan 0.000 0.429 298 N N 0.503 119.238 118.700 0.058 0.000 2.289 298 N HA -0.128 4.630 4.740 0.030 0.000 0.184 298 N C 1.153 176.669 175.510 0.011 0.000 1.016 298 N CA 0.891 53.959 53.050 0.030 0.000 0.872 298 N CB 0.012 38.518 38.487 0.031 0.000 0.973 298 N HN 0.246 nan 8.380 nan 0.000 0.433 299 E N -0.438 119.784 120.200 0.037 0.000 2.481 299 E HA 0.085 4.453 4.350 0.030 0.000 0.195 299 E C 0.955 177.408 176.600 -0.245 0.000 1.047 299 E CA 0.335 56.713 56.400 -0.036 0.000 0.867 299 E CB 0.028 29.792 29.700 0.108 0.000 0.858 299 E HN 0.421 nan 8.360 nan 0.000 0.513 300 G N 0.954 109.647 108.800 -0.178 0.000 2.163 300 G HA2 -0.233 3.745 3.960 0.030 0.000 0.213 300 G HA3 -0.233 3.745 3.960 0.030 0.000 0.213 300 G C -0.058 174.681 174.900 -0.268 0.000 0.991 300 G CA -0.368 44.592 45.100 -0.233 0.000 0.653 300 G HN 0.129 nan 8.290 nan 0.000 0.518 301 F N 1.764 121.719 119.950 0.007 0.000 2.399 301 F HA 0.571 5.117 4.527 0.031 0.000 0.342 301 F C 1.182 176.988 175.800 0.009 0.000 1.106 301 F CA 0.043 58.047 58.000 0.007 0.000 1.196 301 F CB 1.276 40.279 39.000 0.006 0.000 1.163 301 F HN -0.078 nan 8.300 nan 0.000 0.547 302 T N 4.755 119.439 114.554 0.217 0.000 2.806 302 T HA 0.555 4.923 4.350 0.030 0.000 0.290 302 T C -0.186 174.584 174.700 0.117 0.000 0.966 302 T CA -0.513 61.667 62.100 0.133 0.000 1.060 302 T CB 0.362 69.292 68.868 0.103 0.000 0.927 302 T HN 0.272 nan 8.240 nan 0.000 0.485 303 L N 2.950 124.226 121.223 0.089 0.000 2.317 303 L HA 0.509 4.867 4.340 0.030 0.000 0.281 303 L C 0.131 177.039 176.870 0.063 0.000 1.024 303 L CA -1.357 53.514 54.840 0.052 0.000 0.810 303 L CB 1.532 43.613 42.059 0.036 0.000 1.240 303 L HN 0.315 nan 8.230 nan 0.000 0.427 304 V N 2.726 122.645 119.914 0.008 0.000 2.617 304 V HA -0.078 4.060 4.120 0.030 0.000 0.304 304 V C 1.187 177.353 176.094 0.120 0.000 1.040 304 V CA 1.263 63.554 62.300 -0.016 0.000 1.149 304 V CB 0.875 32.591 31.823 -0.178 0.000 0.914 304 V HN 1.179 nan 8.190 nan 0.000 0.487 305 S N 2.460 118.395 115.700 0.392 0.000 2.981 305 S HA -0.222 4.265 4.470 0.030 0.000 0.274 305 S C 1.339 175.997 174.600 0.096 0.000 1.297 305 S CA 1.194 59.521 58.200 0.211 0.000 1.266 305 S CB -1.971 61.283 63.200 0.091 0.000 1.542 305 S HN 2.847 nan 8.310 nan 0.000 0.674 306 G N -0.396 108.464 108.800 0.100 0.000 2.153 306 G HA2 0.307 4.285 3.960 0.030 0.000 0.252 306 G HA3 0.307 4.285 3.960 0.030 0.000 0.252 306 G C 1.037 175.955 174.900 0.029 0.000 0.994 306 G CA 0.659 45.792 45.100 0.055 0.000 0.698 306 G HN 2.638 nan 8.290 nan 0.000 0.521 307 G N -2.696 106.113 108.800 0.015 0.000 2.403 307 G HA2 0.652 4.629 3.960 0.030 0.000 0.223 307 G HA3 0.652 4.629 3.960 0.030 0.000 0.223 307 G C -0.578 174.301 174.900 -0.034 0.000 1.287 307 G CA 0.859 45.956 45.100 -0.005 0.000 0.982 307 G HN 1.821 nan 8.290 nan 0.000 0.471 308 T N -1.021 113.510 114.554 -0.038 0.000 2.932 308 T HA 0.572 4.940 4.350 0.030 0.000 0.318 308 T C -1.091 173.586 174.700 -0.039 0.000 1.265 308 T CA 0.054 62.118 62.100 -0.060 0.000 1.036 308 T CB 1.902 70.731 68.868 -0.064 0.000 1.209 308 T HN 0.301 nan 8.240 nan 0.000 0.484 309 D N 1.891 122.267 120.400 -0.040 0.000 2.398 309 D HA 0.193 4.851 4.640 0.030 0.000 0.210 309 D C 0.635 176.967 176.300 0.054 0.000 1.094 309 D CA 0.252 54.251 54.000 -0.002 0.000 0.839 309 D CB 0.509 41.302 40.800 -0.011 0.000 0.963 309 D HN 0.669 nan 8.370 nan 0.000 0.506 310 N N -0.778 117.957 118.700 0.058 0.000 3.567 310 N HA -0.021 4.737 4.740 0.030 0.000 0.347 310 N C 0.958 176.544 175.510 0.127 0.000 1.553 310 N CA -0.362 52.781 53.050 0.155 0.000 0.636 310 N CB -0.197 38.459 38.487 0.282 0.000 2.483 310 N HN -0.159 nan 8.380 nan 0.000 0.608 311 H N -0.924 118.163 119.070 0.028 0.000 2.551 311 H HA 0.312 4.886 4.556 0.030 0.000 0.266 311 H C 0.048 175.385 175.328 0.016 0.000 0.964 311 H CA -0.017 56.039 56.048 0.014 0.000 1.180 311 H CB -0.408 29.373 29.762 0.031 0.000 1.408 311 H HN 0.516 nan 8.280 nan 0.000 0.563 312 L N -0.112 120.817 121.223 -0.489 0.000 2.333 312 L HA 0.682 5.040 4.340 0.030 0.000 0.263 312 L C -1.138 175.596 176.870 -0.228 0.000 1.014 312 L CA -1.618 52.973 54.840 -0.416 0.000 0.820 312 L CB 2.269 43.957 42.059 -0.619 0.000 1.352 312 L HN 0.031 nan 8.230 nan 0.000 0.421 313 L N 0.052 121.178 121.223 -0.163 0.000 2.415 313 L HA 0.823 5.181 4.340 0.030 0.000 0.256 313 L C -1.538 175.268 176.870 -0.108 0.000 1.010 313 L CA -0.817 53.952 54.840 -0.118 0.000 0.826 313 L CB 2.049 44.058 42.059 -0.082 0.000 1.405 313 L HN 0.670 nan 8.230 nan 0.000 0.410 314 L N 1.891 123.059 121.223 -0.091 0.000 2.376 314 L HA 0.646 5.004 4.340 0.030 0.000 0.275 314 L C -0.865 175.961 176.870 -0.072 0.000 0.987 314 L CA -0.906 53.883 54.840 -0.085 0.000 0.828 314 L CB 2.189 44.195 42.059 -0.088 0.000 1.249 314 L HN 0.511 nan 8.230 nan 0.000 0.409 315 V N 2.041 121.906 119.914 -0.082 0.000 2.461 315 V HA 0.113 4.250 4.120 0.030 0.000 0.275 315 V C -0.062 176.013 176.094 -0.032 0.000 1.047 315 V CA -0.404 61.856 62.300 -0.066 0.000 0.955 315 V CB 1.413 33.141 31.823 -0.158 0.000 0.988 315 V HN 0.602 nan 8.190 nan 0.000 0.471 316 D N 4.636 125.040 120.400 0.008 0.000 2.365 316 D HA 0.217 4.875 4.640 0.030 0.000 0.237 316 D C 0.634 176.974 176.300 0.066 0.000 1.190 316 D CA -0.085 53.926 54.000 0.019 0.000 0.867 316 D CB 1.086 41.900 40.800 0.023 0.000 1.050 316 D HN 0.454 nan 8.370 nan 0.000 0.491 317 L N 3.556 124.812 121.223 0.055 0.000 2.591 317 L HA 0.159 4.517 4.340 0.030 0.000 0.228 317 L C 2.312 179.228 176.870 0.076 0.000 1.133 317 L CA -0.086 54.807 54.840 0.089 0.000 0.880 317 L CB -0.016 42.081 42.059 0.064 0.000 1.033 317 L HN 0.277 nan 8.230 nan 0.000 0.450 318 R N 0.625 121.160 120.500 0.057 0.000 2.091 318 R HA -0.169 4.189 4.340 0.030 0.000 0.238 318 R C -0.394 175.933 176.300 0.045 0.000 1.136 318 R CA 1.503 57.630 56.100 0.046 0.000 0.959 318 R CB -1.475 28.850 30.300 0.041 0.000 0.856 318 R HN 0.315 nan 8.270 nan 0.000 0.437 319 P HA -0.135 nan 4.420 nan 0.000 0.219 319 P C 0.572 177.886 177.300 0.024 0.000 1.146 319 P CA 1.261 64.380 63.100 0.032 0.000 0.808 319 P CB 0.134 31.853 31.700 0.031 0.000 0.779 320 Q N -1.289 118.539 119.800 0.047 0.000 2.360 320 Q HA 0.090 4.448 4.340 0.030 0.000 0.202 320 Q C 0.254 176.279 176.000 0.041 0.000 0.915 320 Q CA 0.182 56.011 55.803 0.043 0.000 0.943 320 Q CB -0.466 28.328 28.738 0.095 0.000 1.064 320 Q HN 0.048 nan 8.270 nan 0.000 0.511 321 Q N -0.437 119.385 119.800 0.037 0.000 2.453 321 Q HA -0.211 4.147 4.340 0.030 0.000 0.294 321 Q C -0.980 175.040 176.000 0.034 0.000 1.295 321 Q CA 0.866 56.688 55.803 0.031 0.000 0.853 321 Q CB -2.124 26.627 28.738 0.021 0.000 1.193 321 Q HN 0.401 nan 8.270 nan 0.000 0.461 322 L N -0.109 121.141 121.223 0.044 0.000 2.342 322 L HA 0.534 4.892 4.340 0.030 0.000 0.271 322 L C 0.997 177.886 176.870 0.033 0.000 1.008 322 L CA -0.710 54.155 54.840 0.041 0.000 0.818 322 L CB 1.892 43.986 42.059 0.057 0.000 1.296 322 L HN 0.127 nan 8.230 nan 0.000 0.427 323 T N -1.697 112.871 114.554 0.023 0.000 2.899 323 T HA 0.258 4.626 4.350 0.030 0.000 0.284 323 T C 1.257 175.963 174.700 0.010 0.000 1.004 323 T CA -0.083 62.026 62.100 0.015 0.000 1.043 323 T CB 1.635 70.509 68.868 0.011 0.000 1.013 323 T HN 0.703 nan 8.240 nan 0.000 0.518 324 G N 0.442 109.243 108.800 0.001 0.000 2.440 324 G HA2 -0.225 3.752 3.960 0.030 0.000 0.218 324 G HA3 -0.225 3.752 3.960 0.030 0.000 0.218 324 G C 1.371 176.268 174.900 -0.006 0.000 1.154 324 G CA 0.954 46.049 45.100 -0.008 0.000 0.767 324 G HN 0.857 nan 8.290 nan 0.000 0.552 325 K N -0.230 120.169 120.400 -0.002 0.000 2.032 325 K HA -0.119 4.219 4.320 0.030 0.000 0.209 325 K C 2.587 179.188 176.600 0.003 0.000 1.048 325 K CA 1.805 58.092 56.287 -0.001 0.000 0.927 325 K CB -0.356 32.145 32.500 0.000 0.000 0.712 325 K HN 0.279 nan 8.250 nan 0.000 0.441 326 T N 0.677 115.235 114.554 0.007 0.000 2.708 326 T HA -0.128 4.240 4.350 0.030 0.000 0.266 326 T C 1.840 176.547 174.700 0.011 0.000 1.037 326 T CA 1.373 63.480 62.100 0.011 0.000 1.146 326 T CB -0.303 68.575 68.868 0.016 0.000 0.865 326 T HN 0.434 nan 8.240 nan 0.000 0.435 327 A N 1.325 124.151 122.820 0.009 0.000 1.877 327 A HA -0.143 4.195 4.320 0.030 0.000 0.216 327 A C 2.211 179.792 177.584 -0.005 0.000 1.186 327 A CA 1.975 54.014 52.037 0.004 0.000 0.620 327 A CB -0.713 18.283 19.000 -0.007 0.000 0.822 327 A HN 0.623 nan 8.150 nan 0.000 0.443 328 E N -0.078 120.117 120.200 -0.008 0.000 2.070 328 E HA -0.292 4.076 4.350 0.030 0.000 0.197 328 E C 2.106 178.706 176.600 -0.001 0.000 1.004 328 E CA 1.793 58.188 56.400 -0.008 0.000 0.805 328 E CB -0.169 29.526 29.700 -0.007 0.000 0.744 328 E HN 0.623 nan 8.360 nan 0.000 0.451 329 K N 0.165 120.566 120.400 0.003 0.000 2.002 329 K HA -0.141 4.196 4.320 0.030 0.000 0.209 329 K C 2.175 178.780 176.600 0.009 0.000 1.048 329 K CA 1.483 57.773 56.287 0.006 0.000 0.930 329 K CB -0.261 32.243 32.500 0.007 0.000 0.714 329 K HN 0.152 nan 8.250 nan 0.000 0.438 330 V N 1.373 121.294 119.914 0.011 0.000 2.453 330 V HA -0.157 3.981 4.120 0.030 0.000 0.247 330 V C 2.070 178.173 176.094 0.015 0.000 1.048 330 V CA 1.309 63.618 62.300 0.015 0.000 1.049 330 V CB -0.166 31.670 31.823 0.021 0.000 0.672 330 V HN 0.337 nan 8.190 nan 0.000 0.457 331 L N 0.146 121.375 121.223 0.010 0.000 2.083 331 L HA -0.182 4.176 4.340 0.030 0.000 0.209 331 L C 2.341 179.217 176.870 0.010 0.000 1.083 331 L CA 2.226 57.071 54.840 0.008 0.000 0.752 331 L CB -0.669 41.387 42.059 -0.004 0.000 0.899 331 L HN 0.462 nan 8.230 nan 0.000 0.433 332 D N 0.140 120.545 120.400 0.009 0.000 2.149 332 D HA -0.229 4.429 4.640 0.030 0.000 0.198 332 D C 1.974 178.282 176.300 0.013 0.000 0.990 332 D CA 1.177 55.184 54.000 0.011 0.000 0.839 332 D CB 0.130 40.935 40.800 0.009 0.000 0.948 332 D HN 0.317 nan 8.370 nan 0.000 0.460 333 E N -0.543 119.665 120.200 0.013 0.000 2.265 333 E HA -0.123 4.245 4.350 0.030 0.000 0.196 333 E C 1.976 178.586 176.600 0.016 0.000 0.996 333 E CA 1.148 57.556 56.400 0.014 0.000 0.832 333 E CB 0.182 29.890 29.700 0.014 0.000 0.756 333 E HN 0.459 nan 8.360 nan 0.000 0.491 334 V N -3.889 116.036 119.914 0.018 0.000 3.578 334 V HA 0.459 4.597 4.120 0.030 0.000 0.290 334 V C 1.100 177.208 176.094 0.023 0.000 1.376 334 V CA 0.415 62.728 62.300 0.021 0.000 1.083 334 V CB 0.362 32.199 31.823 0.024 0.000 0.911 334 V HN 0.222 nan 8.190 nan 0.000 0.433 335 G N 0.965 109.778 108.800 0.021 0.000 2.134 335 G HA2 -0.183 3.795 3.960 0.030 0.000 0.209 335 G HA3 -0.183 3.795 3.960 0.030 0.000 0.209 335 G C -0.204 174.712 174.900 0.026 0.000 0.993 335 G CA 0.151 45.265 45.100 0.023 0.000 0.669 335 G HN 0.593 nan 8.290 nan 0.000 0.519 336 I N 1.945 122.529 120.570 0.023 0.000 2.339 336 I HA 0.361 4.549 4.170 0.030 0.000 0.290 336 I C 0.112 176.237 176.117 0.013 0.000 0.994 336 I CA -0.545 60.768 61.300 0.022 0.000 1.191 336 I CB 1.760 39.772 38.000 0.020 0.000 1.343 336 I HN 0.019 nan 8.210 nan 0.000 0.458 337 T N 6.546 121.108 114.554 0.013 0.000 2.753 337 T HA 0.476 4.844 4.350 0.030 0.000 0.297 337 T C 0.021 174.721 174.700 0.000 0.000 0.981 337 T CA -0.536 61.570 62.100 0.009 0.000 0.956 337 T CB 0.850 69.728 68.868 0.016 0.000 0.936 337 T HN 0.442 nan 8.240 nan 0.000 0.463 338 V N 1.168 121.079 119.914 -0.006 0.000 3.155 338 V HA 0.786 4.924 4.120 0.030 0.000 0.313 338 V C -0.927 175.162 176.094 -0.009 0.000 1.162 338 V CA -1.397 60.894 62.300 -0.014 0.000 1.048 338 V CB 2.386 34.190 31.823 -0.032 0.000 1.092 338 V HN 0.862 nan 8.190 nan 0.000 0.447 339 N N 0.254 118.947 118.700 -0.010 0.000 2.269 339 N HA 0.353 5.111 4.740 0.030 0.000 0.304 339 N C -0.749 174.750 175.510 -0.017 0.000 1.072 339 N CA -0.812 52.233 53.050 -0.008 0.000 0.802 339 N CB 2.597 41.087 38.487 0.004 0.000 1.348 339 N HN 0.992 nan 8.380 nan 0.000 0.484 340 K N 1.235 121.626 120.400 -0.015 0.000 2.469 340 K HA 0.035 4.372 4.320 0.030 0.000 0.274 340 K C -0.960 175.628 176.600 -0.021 0.000 0.983 340 K CA 0.052 56.328 56.287 -0.019 0.000 0.974 340 K CB 0.281 32.773 32.500 -0.014 0.000 0.913 340 K HN 0.724 nan 8.250 nan 0.000 0.493 341 N N 0.715 119.399 118.700 -0.027 0.000 2.452 341 N HA 0.105 4.863 4.740 0.030 0.000 0.277 341 N C -1.709 173.780 175.510 -0.035 0.000 1.078 341 N CA -0.474 52.557 53.050 -0.031 0.000 0.947 341 N CB 2.025 40.489 38.487 -0.037 0.000 1.655 341 N HN 0.629 nan 8.380 nan 0.000 0.490 342 T N 3.009 117.542 114.554 -0.034 0.000 2.934 342 T HA 0.202 4.570 4.350 0.030 0.000 0.306 342 T C 0.489 175.158 174.700 -0.051 0.000 1.042 342 T CA 0.183 62.262 62.100 -0.036 0.000 1.145 342 T CB -0.216 68.633 68.868 -0.032 0.000 0.982 342 T HN 0.404 nan 8.240 nan 0.000 0.544 343 I N 1.149 121.681 120.570 -0.063 0.000 2.793 343 I HA 0.623 4.811 4.170 0.030 0.000 0.313 343 I C -2.757 173.273 176.117 -0.144 0.000 0.998 343 I CA -3.522 57.711 61.300 -0.110 0.000 1.140 343 I CB 1.108 39.038 38.000 -0.116 0.000 1.327 343 I HN 0.282 nan 8.210 nan 0.000 0.491 344 P HA 0.044 nan 4.420 nan 0.000 0.264 344 P C -1.256 175.940 177.300 -0.174 0.000 1.193 344 P CA 0.667 63.486 63.100 -0.468 0.000 0.763 344 P CB -0.198 31.226 31.700 -0.460 0.000 0.810 345 Y N -0.632 119.605 120.300 -0.105 0.000 3.929 345 Y HA -0.262 4.306 4.550 0.030 0.000 0.225 345 Y C 0.792 176.696 175.900 0.008 0.000 1.200 345 Y CA 0.310 58.417 58.100 0.013 0.000 1.791 345 Y CB -2.411 36.061 38.460 0.020 0.000 1.561 345 Y HN 0.390 nan 8.280 nan 0.000 0.657 346 D N 2.157 122.589 120.400 0.053 0.000 2.450 346 D HA 0.032 4.689 4.640 0.030 0.000 0.247 346 D C -0.798 175.533 176.300 0.051 0.000 1.162 346 D CA -0.987 53.036 54.000 0.037 0.000 0.879 346 D CB 1.102 41.902 40.800 0.001 0.000 1.163 346 D HN 0.170 nan 8.370 nan 0.000 0.472 347 P HA 0.006 nan 4.420 nan 0.000 0.233 347 P C -0.048 177.269 177.300 0.028 0.000 1.167 347 P CA 0.485 63.612 63.100 0.044 0.000 0.770 347 P CB 0.614 32.340 31.700 0.042 0.000 0.837 348 E N 0.507 120.719 120.200 0.020 0.000 2.250 348 E HA 0.245 4.613 4.350 0.030 0.000 0.269 348 E C 0.416 177.019 176.600 0.004 0.000 1.018 348 E CA -0.459 55.948 56.400 0.011 0.000 0.873 348 E CB 1.332 31.037 29.700 0.008 0.000 1.134 348 E HN 0.063 nan 8.360 nan 0.000 0.403 349 S N 0.983 116.684 115.700 0.001 0.000 2.584 349 S HA 0.089 4.577 4.470 0.030 0.000 0.270 349 S C -1.836 172.757 174.600 -0.012 0.000 1.346 349 S CA -0.909 57.287 58.200 -0.006 0.000 1.018 349 S CB 0.690 63.886 63.200 -0.006 0.000 0.899 349 S HN 0.164 nan 8.310 nan 0.000 0.542 350 P HA 0.040 nan 4.420 nan 0.000 0.219 350 P C 1.482 178.770 177.300 -0.020 0.000 1.146 350 P CA 1.424 64.509 63.100 -0.025 0.000 0.808 350 P CB -0.423 31.256 31.700 -0.035 0.000 0.779 351 G N -1.275 107.515 108.800 -0.016 0.000 2.572 351 G HA2 -0.059 3.919 3.960 0.030 0.000 0.216 351 G HA3 -0.059 3.919 3.960 0.030 0.000 0.216 351 G C 1.249 176.143 174.900 -0.008 0.000 1.133 351 G CA 0.456 45.548 45.100 -0.012 0.000 0.791 351 G HN 0.203 nan 8.290 nan 0.000 0.538 352 V N -0.288 119.622 119.914 -0.007 0.000 3.001 352 V HA 0.227 4.365 4.120 0.030 0.000 0.228 352 V C 1.162 177.253 176.094 -0.005 0.000 1.204 352 V CA 1.362 63.660 62.300 -0.004 0.000 1.247 352 V CB -0.258 31.565 31.823 0.000 0.000 1.093 352 V HN 0.786 nan 8.190 nan 0.000 0.504 353 T N -0.765 113.786 114.554 -0.006 0.000 0.541 353 T HA -0.230 4.137 4.350 0.030 0.000 0.774 353 T C 0.196 174.894 174.700 -0.003 0.000 0.992 353 T CA 0.417 62.512 62.100 -0.008 0.000 4.077 353 T CB -1.443 67.416 68.868 -0.016 0.000 2.303 353 T HN 0.349 nan 8.240 nan 0.000 0.398 354 S N 0.974 116.670 115.700 -0.006 0.000 2.593 354 S HA 0.572 5.059 4.470 0.030 0.000 0.236 354 S C 0.780 175.376 174.600 -0.006 0.000 0.991 354 S CA -0.019 58.181 58.200 0.001 0.000 0.963 354 S CB 0.661 63.866 63.200 0.008 0.000 0.865 354 S HN 1.225 nan 8.310 nan 0.000 0.488 355 G N 1.548 110.336 108.800 -0.020 0.000 2.642 355 G HA2 0.729 4.707 3.960 0.030 0.000 0.293 355 G HA3 0.729 4.707 3.960 0.030 0.000 0.293 355 G C -1.178 173.698 174.900 -0.040 0.000 1.341 355 G CA -0.911 44.169 45.100 -0.033 0.000 0.916 355 G HN 0.306 nan 8.290 nan 0.000 0.474 356 I N -1.862 118.674 120.570 -0.058 0.000 2.569 356 I HA 0.744 4.932 4.170 0.030 0.000 0.296 356 I C -0.338 175.736 176.117 -0.072 0.000 1.028 356 I CA -1.213 60.049 61.300 -0.063 0.000 1.082 356 I CB 2.471 40.425 38.000 -0.076 0.000 1.264 356 I HN 0.428 nan 8.210 nan 0.000 0.429 357 R N 5.592 126.057 120.500 -0.058 0.000 2.368 357 R HA 0.770 5.128 4.340 0.030 0.000 0.302 357 R C -1.521 174.745 176.300 -0.057 0.000 1.002 357 R CA -0.556 55.506 56.100 -0.063 0.000 0.929 357 R CB 1.329 31.598 30.300 -0.051 0.000 1.073 357 R HN 0.813 nan 8.270 nan 0.000 0.464 358 I N 2.440 122.968 120.570 -0.071 0.000 2.619 358 I HA 0.456 4.644 4.170 0.030 0.000 0.292 358 I C -0.119 175.961 176.117 -0.062 0.000 1.100 358 I CA -0.749 60.516 61.300 -0.057 0.000 1.043 358 I CB 2.503 40.461 38.000 -0.070 0.000 1.239 358 I HN 0.780 nan 8.210 nan 0.000 0.420 359 G N 1.333 110.120 108.800 -0.022 0.000 2.612 359 G HA2 0.502 4.480 3.960 0.030 0.000 0.298 359 G HA3 0.502 4.480 3.960 0.030 0.000 0.298 359 G C 0.074 174.995 174.900 0.036 0.000 1.336 359 G CA -0.263 44.838 45.100 0.002 0.000 0.953 359 G HN 0.583 nan 8.290 nan 0.000 0.482 360 T N -2.067 112.523 114.554 0.060 0.000 3.054 360 T HA 0.372 4.740 4.350 0.030 0.000 0.255 360 T C 2.158 176.895 174.700 0.061 0.000 1.035 360 T CA 1.220 63.351 62.100 0.051 0.000 0.941 360 T CB 0.647 69.541 68.868 0.043 0.000 1.026 360 T HN 0.753 nan 8.240 nan 0.000 0.533 361 A N 1.956 124.831 122.820 0.091 0.000 1.892 361 A HA 0.209 4.547 4.320 0.030 0.000 0.218 361 A C 2.704 180.376 177.584 0.147 0.000 1.188 361 A CA 1.937 54.043 52.037 0.115 0.000 0.631 361 A CB -1.364 17.707 19.000 0.118 0.000 0.822 361 A HN 0.745 nan 8.150 nan 0.000 0.447 362 A N -0.232 122.603 122.820 0.025 0.000 1.872 362 A HA 0.043 4.381 4.320 0.030 0.000 0.214 362 A C 2.329 179.980 177.584 0.110 0.000 1.187 362 A CA 2.163 54.172 52.037 -0.047 0.000 0.614 362 A CB -1.279 17.544 19.000 -0.294 0.000 0.826 362 A HN 1.133 nan 8.150 nan 0.000 0.442 363 V N -2.368 117.531 119.914 -0.026 0.000 2.490 363 V HA -0.172 3.966 4.120 0.030 0.000 0.250 363 V C 2.160 178.210 176.094 -0.073 0.000 1.061 363 V CA 2.625 64.760 62.300 -0.274 0.000 1.064 363 V CB -1.910 29.681 31.823 -0.387 0.000 0.670 363 V HN 0.419 nan 8.190 nan 0.000 0.461 364 T N 0.521 115.141 114.554 0.110 0.000 2.746 364 T HA -0.159 4.209 4.350 0.030 0.000 0.267 364 T C 1.956 176.845 174.700 0.316 0.000 1.039 364 T CA 2.246 64.478 62.100 0.219 0.000 1.142 364 T CB -0.645 68.314 68.868 0.152 0.000 0.866 364 T HN 0.636 nan 8.240 nan 0.000 0.444 365 T N 1.786 116.549 114.554 0.348 0.000 2.759 365 T HA -0.071 4.297 4.350 0.030 0.000 0.269 365 T C 1.961 176.743 174.700 0.137 0.000 1.042 365 T CA 0.947 63.161 62.100 0.189 0.000 1.140 365 T CB -0.178 68.789 68.868 0.164 0.000 0.864 365 T HN 0.352 nan 8.240 nan 0.000 0.455 366 R N 0.179 120.750 120.500 0.119 0.000 2.316 366 R HA 0.141 4.499 4.340 0.030 0.000 0.202 366 R C 1.713 178.112 176.300 0.166 0.000 1.029 366 R CA 0.580 56.705 56.100 0.042 0.000 1.018 366 R CB 0.011 30.223 30.300 -0.145 0.000 0.888 366 R HN 0.504 nan 8.270 nan 0.000 0.471 367 G N 0.195 109.125 108.800 0.216 0.000 2.144 367 G HA2 -0.263 3.715 3.960 0.030 0.000 0.218 367 G HA3 -0.263 3.715 3.960 0.030 0.000 0.218 367 G C 0.159 175.268 174.900 0.349 0.000 0.988 367 G CA -0.613 44.634 45.100 0.244 0.000 0.659 367 G HN 0.258 nan 8.290 nan 0.000 0.522 368 F N 0.860 120.852 119.950 0.070 0.000 2.518 368 F HA 0.434 4.980 4.527 0.032 0.000 0.359 368 F C 1.501 177.329 175.800 0.048 0.000 1.118 368 F CA 0.364 58.395 58.000 0.052 0.000 1.287 368 F CB 0.983 40.016 39.000 0.055 0.000 1.132 368 F HN 0.233 nan 8.300 nan 0.000 0.587 369 G N 1.927 110.816 108.800 0.149 0.000 3.262 369 G HA2 0.398 4.376 3.960 0.030 0.000 0.229 369 G HA3 0.398 4.376 3.960 0.030 0.000 0.229 369 G C 0.477 175.411 174.900 0.056 0.000 1.280 369 G CA -0.802 44.351 45.100 0.088 0.000 0.951 369 G HN 0.557 nan 8.290 nan 0.000 0.589 370 L N -0.014 121.228 121.223 0.032 0.000 2.012 370 L HA -0.072 4.286 4.340 0.030 0.000 0.210 370 L C 2.843 179.718 176.870 0.009 0.000 1.073 370 L CA 1.203 56.057 54.840 0.023 0.000 0.748 370 L CB -0.343 41.726 42.059 0.016 0.000 0.891 370 L HN 0.395 nan 8.230 nan 0.000 0.431 371 E N 0.407 120.600 120.200 -0.011 0.000 2.085 371 E HA -0.232 4.136 4.350 0.030 0.000 0.194 371 E C 2.091 178.660 176.600 -0.052 0.000 0.994 371 E CA 1.316 57.697 56.400 -0.031 0.000 0.801 371 E CB -0.175 29.498 29.700 -0.045 0.000 0.743 371 E HN 0.499 nan 8.360 nan 0.000 0.453 372 E N -0.006 120.142 120.200 -0.085 0.000 2.106 372 E HA -0.091 4.277 4.350 0.030 0.000 0.192 372 E C 1.970 178.571 176.600 0.000 0.000 0.984 372 E CA 0.717 57.031 56.400 -0.142 0.000 0.806 372 E CB -0.125 29.354 29.700 -0.368 0.000 0.750 372 E HN 0.129 nan 8.360 nan 0.000 0.458 373 M N 0.802 120.431 119.600 0.048 0.000 2.086 373 M HA -0.146 4.352 4.480 0.030 0.000 0.261 373 M C 1.376 177.703 176.300 0.045 0.000 1.067 373 M CA 1.424 56.765 55.300 0.069 0.000 1.116 373 M CB -0.963 31.674 32.600 0.062 0.000 1.348 373 M HN 0.038 nan 8.290 nan 0.000 0.407 374 D N 0.179 120.595 120.400 0.027 0.000 2.116 374 D HA -0.199 4.458 4.640 0.030 0.000 0.193 374 D C 2.004 178.319 176.300 0.026 0.000 0.998 374 D CA 1.519 55.534 54.000 0.025 0.000 0.836 374 D CB -0.238 40.569 40.800 0.012 0.000 0.951 374 D HN 0.399 nan 8.370 nan 0.000 0.449 375 E N 0.464 120.670 120.200 0.009 0.000 2.072 375 E HA -0.075 4.293 4.350 0.030 0.000 0.191 375 E C 2.143 178.762 176.600 0.032 0.000 0.985 375 E CA 0.618 57.022 56.400 0.008 0.000 0.801 375 E CB -0.356 29.328 29.700 -0.027 0.000 0.750 375 E HN 0.285 nan 8.360 nan 0.000 0.452 376 I N 0.583 121.182 120.570 0.050 0.000 2.163 376 I HA -0.312 3.875 4.170 0.030 0.000 0.243 376 I C 2.406 178.555 176.117 0.054 0.000 1.085 376 I CA 1.228 62.570 61.300 0.069 0.000 1.347 376 I CB -0.473 37.589 38.000 0.104 0.000 1.044 376 I HN 0.225 nan 8.210 nan 0.000 0.408 377 A N 0.679 123.532 122.820 0.056 0.000 1.908 377 A HA -0.193 4.145 4.320 0.030 0.000 0.218 377 A C 2.539 180.190 177.584 0.112 0.000 1.181 377 A CA 1.984 54.066 52.037 0.075 0.000 0.627 377 A CB -0.888 18.161 19.000 0.082 0.000 0.818 377 A HN 0.450 nan 8.150 nan 0.000 0.445 378 A N -0.171 122.699 122.820 0.083 0.000 1.902 378 A HA -0.067 4.270 4.320 0.030 0.000 0.217 378 A C 2.112 179.744 177.584 0.081 0.000 1.181 378 A CA 1.522 53.607 52.037 0.079 0.000 0.623 378 A CB -0.602 18.427 19.000 0.047 0.000 0.818 378 A HN 0.505 nan 8.150 nan 0.000 0.443 379 I N -0.362 120.248 120.570 0.065 0.000 2.226 379 I HA -0.247 3.941 4.170 0.030 0.000 0.245 379 I C 2.274 178.435 176.117 0.074 0.000 1.100 379 I CA 1.219 62.555 61.300 0.060 0.000 1.374 379 I CB -0.313 37.715 38.000 0.048 0.000 1.057 379 I HN 0.296 nan 8.210 nan 0.000 0.413 380 I N 0.696 121.310 120.570 0.074 0.000 2.226 380 I HA -0.228 3.960 4.170 0.030 0.000 0.245 380 I C 2.703 178.946 176.117 0.210 0.000 1.100 380 I CA 1.650 62.987 61.300 0.061 0.000 1.374 380 I CB -0.956 37.004 38.000 -0.066 0.000 1.057 380 I HN 0.281 nan 8.210 nan 0.000 0.413 381 G N 1.209 110.209 108.800 0.333 0.000 2.459 381 G HA2 -0.300 3.678 3.960 0.030 0.000 0.217 381 G HA3 -0.300 3.678 3.960 0.030 0.000 0.217 381 G C 1.653 176.656 174.900 0.172 0.000 1.183 381 G CA 0.919 46.232 45.100 0.356 0.000 0.776 381 G HN 0.284 nan 8.290 nan 0.000 0.552 382 L N 0.728 122.019 121.223 0.113 0.000 2.013 382 L HA -0.090 4.268 4.340 0.030 0.000 0.212 382 L C 2.909 179.823 176.870 0.072 0.000 1.073 382 L CA 1.720 56.602 54.840 0.070 0.000 0.753 382 L CB -0.602 41.489 42.059 0.053 0.000 0.890 382 L HN 0.103 nan 8.230 nan 0.000 0.432 383 V N -0.394 119.571 119.914 0.085 0.000 2.270 383 V HA -0.276 3.862 4.120 0.030 0.000 0.245 383 V C 2.475 178.621 176.094 0.087 0.000 1.043 383 V CA 2.055 64.398 62.300 0.071 0.000 1.014 383 V CB -0.534 31.324 31.823 0.057 0.000 0.645 383 V HN 0.447 nan 8.190 nan 0.000 0.447 384 L N -0.625 120.683 121.223 0.142 0.000 2.291 384 L HA -0.076 4.282 4.340 0.030 0.000 0.214 384 L C 2.208 179.155 176.870 0.129 0.000 1.120 384 L CA 1.190 56.129 54.840 0.164 0.000 0.799 384 L CB -0.471 41.759 42.059 0.285 0.000 0.925 384 L HN 0.309 nan 8.230 nan 0.000 0.446 385 K N 0.196 120.654 120.400 0.098 0.000 2.426 385 K HA 0.052 4.389 4.320 0.030 0.000 0.193 385 K C -0.031 176.586 176.600 0.028 0.000 1.028 385 K CA 0.319 56.627 56.287 0.035 0.000 1.047 385 K CB 0.195 32.693 32.500 -0.003 0.000 0.821 385 K HN 0.289 nan 8.250 nan 0.000 0.513 386 N N -0.157 118.566 118.700 0.039 0.000 2.628 386 N HA -0.023 4.735 4.740 0.030 0.000 0.299 386 N C 0.497 176.025 175.510 0.030 0.000 1.834 386 N CA -0.093 52.974 53.050 0.028 0.000 0.871 386 N CB 1.419 39.921 38.487 0.025 0.000 1.377 386 N HN -0.106 nan 8.380 nan 0.000 0.493 387 V N -2.680 117.253 119.914 0.033 0.000 2.720 387 V HA 0.053 4.191 4.120 0.030 0.000 0.256 387 V C 1.651 177.759 176.094 0.023 0.000 1.082 387 V CA 1.983 64.302 62.300 0.030 0.000 1.101 387 V CB -0.574 31.268 31.823 0.032 0.000 0.693 387 V HN 0.331 nan 8.190 nan 0.000 0.479 388 G N -0.232 108.580 108.800 0.019 0.000 3.189 388 G HA2 0.181 4.159 3.960 0.030 0.000 0.225 388 G HA3 0.181 4.159 3.960 0.030 0.000 0.225 388 G C 0.611 175.519 174.900 0.014 0.000 1.159 388 G CA 0.645 45.754 45.100 0.015 0.000 0.763 388 G HN 0.586 nan 8.290 nan 0.000 0.549 389 S N 0.420 116.130 115.700 0.015 0.000 2.474 389 S HA 0.316 4.804 4.470 0.030 0.000 0.320 389 S C 1.069 175.678 174.600 0.015 0.000 1.067 389 S CA -0.561 57.647 58.200 0.014 0.000 1.127 389 S CB 0.848 64.056 63.200 0.014 0.000 0.971 389 S HN 0.150 nan 8.310 nan 0.000 0.472 390 E N 3.438 123.645 120.200 0.013 0.000 2.160 390 E HA -0.212 4.155 4.350 0.030 0.000 0.195 390 E C 2.110 178.718 176.600 0.013 0.000 0.991 390 E CA 1.350 57.758 56.400 0.013 0.000 0.810 390 E CB -0.084 29.623 29.700 0.011 0.000 0.742 390 E HN 0.983 nan 8.360 nan 0.000 0.466 391 Q N 0.221 120.029 119.800 0.012 0.000 2.079 391 Q HA -0.026 4.332 4.340 0.030 0.000 0.200 391 Q C 2.133 178.141 176.000 0.014 0.000 0.974 391 Q CA 1.532 57.342 55.803 0.012 0.000 0.840 391 Q CB -0.337 28.407 28.738 0.010 0.000 0.898 391 Q HN 0.127 nan 8.270 nan 0.000 0.430 392 A N 1.933 124.762 122.820 0.015 0.000 1.902 392 A HA -0.089 4.249 4.320 0.030 0.000 0.217 392 A C 2.263 179.860 177.584 0.021 0.000 1.181 392 A CA 1.299 53.347 52.037 0.019 0.000 0.623 392 A CB -0.715 18.297 19.000 0.021 0.000 0.818 392 A HN 0.387 nan 8.150 nan 0.000 0.443 393 L N -0.915 120.320 121.223 0.021 0.000 2.083 393 L HA -0.181 4.176 4.340 0.030 0.000 0.209 393 L C 2.640 179.522 176.870 0.020 0.000 1.083 393 L CA 1.690 56.543 54.840 0.022 0.000 0.752 393 L CB -0.522 41.549 42.059 0.020 0.000 0.899 393 L HN 0.454 nan 8.230 nan 0.000 0.433 394 E N 0.797 121.007 120.200 0.017 0.000 2.072 394 E HA -0.261 4.106 4.350 0.030 0.000 0.191 394 E C 2.018 178.627 176.600 0.016 0.000 0.985 394 E CA 1.448 57.857 56.400 0.015 0.000 0.801 394 E CB -0.026 29.682 29.700 0.013 0.000 0.750 394 E HN 0.407 nan 8.360 nan 0.000 0.452 395 E N -0.407 119.802 120.200 0.016 0.000 2.085 395 E HA -0.232 4.135 4.350 0.030 0.000 0.194 395 E C 1.929 178.540 176.600 0.019 0.000 0.994 395 E CA 1.168 57.577 56.400 0.016 0.000 0.801 395 E CB -0.258 29.451 29.700 0.015 0.000 0.743 395 E HN 0.326 nan 8.360 nan 0.000 0.453 396 A N 1.463 124.297 122.820 0.022 0.000 1.883 396 A HA -0.227 4.111 4.320 0.030 0.000 0.217 396 A C 2.217 179.816 177.584 0.025 0.000 1.186 396 A CA 1.712 53.765 52.037 0.027 0.000 0.624 396 A CB -0.650 18.368 19.000 0.031 0.000 0.822 396 A HN 0.246 nan 8.150 nan 0.000 0.444 397 R N -0.523 119.990 120.500 0.023 0.000 2.096 397 R HA -0.220 4.138 4.340 0.030 0.000 0.240 397 R C 2.444 178.756 176.300 0.021 0.000 1.139 397 R CA 2.119 58.232 56.100 0.022 0.000 0.952 397 R CB -0.312 30.000 30.300 0.019 0.000 0.854 397 R HN 0.725 nan 8.270 nan 0.000 0.436 398 Q N -0.619 119.191 119.800 0.018 0.000 2.119 398 Q HA -0.147 4.211 4.340 0.030 0.000 0.201 398 Q C 2.198 178.207 176.000 0.015 0.000 0.972 398 Q CA 1.457 57.270 55.803 0.016 0.000 0.847 398 Q CB 0.014 28.759 28.738 0.013 0.000 0.903 398 Q HN 0.335 nan 8.270 nan 0.000 0.433 399 R N -0.213 120.296 120.500 0.016 0.000 2.115 399 R HA -0.068 4.290 4.340 0.030 0.000 0.226 399 R C 2.290 178.602 176.300 0.019 0.000 1.100 399 R CA 0.895 57.002 56.100 0.013 0.000 0.980 399 R CB -0.160 30.148 30.300 0.014 0.000 0.875 399 R HN 0.067 nan 8.270 nan 0.000 0.445 400 V N 1.021 120.952 119.914 0.029 0.000 2.295 400 V HA -0.246 3.892 4.120 0.030 0.000 0.246 400 V C 2.430 178.547 176.094 0.039 0.000 1.049 400 V CA 2.022 64.348 62.300 0.044 0.000 1.024 400 V CB -0.712 31.137 31.823 0.043 0.000 0.648 400 V HN 0.405 nan 8.190 nan 0.000 0.447 401 A N 0.035 122.871 122.820 0.027 0.000 1.940 401 A HA -0.180 4.158 4.320 0.030 0.000 0.219 401 A C 2.416 180.011 177.584 0.018 0.000 1.176 401 A CA 2.230 54.280 52.037 0.022 0.000 0.631 401 A CB -0.805 18.208 19.000 0.022 0.000 0.814 401 A HN 0.599 nan 8.150 nan 0.000 0.446 402 A N -0.516 122.311 122.820 0.011 0.000 1.933 402 A HA -0.035 4.303 4.320 0.030 0.000 0.218 402 A C 2.163 179.735 177.584 -0.020 0.000 1.175 402 A CA 1.494 53.529 52.037 -0.003 0.000 0.628 402 A CB -0.513 18.481 19.000 -0.010 0.000 0.814 402 A HN 0.485 nan 8.150 nan 0.000 0.444 403 L N -0.418 120.794 121.223 -0.017 0.000 2.109 403 L HA -0.112 4.246 4.340 0.030 0.000 0.207 403 L C 2.766 179.664 176.870 0.048 0.000 1.086 403 L CA 1.753 56.559 54.840 -0.057 0.000 0.760 403 L CB -0.391 41.657 42.059 -0.017 0.000 0.910 403 L HN 0.652 nan 8.230 nan 0.000 0.437 404 T N -5.309 109.289 114.554 0.073 0.000 3.044 404 T HA 0.110 4.478 4.350 0.030 0.000 0.250 404 T C 0.217 174.878 174.700 -0.065 0.000 1.081 404 T CA -0.313 61.786 62.100 -0.002 0.000 1.040 404 T CB 0.055 68.852 68.868 -0.119 0.000 0.962 404 T HN 0.234 nan 8.240 nan 0.000 0.506 405 D N 0.000 120.413 120.400 0.021 0.000 6.856 405 D HA 0.000 4.658 4.640 0.030 0.000 0.175 405 D CA 0.000 54.047 54.000 0.078 0.000 0.868 405 D CB 0.000 40.875 40.800 0.125 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683