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 2vgu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAQGYPGRRY 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 FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTDG 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 0.000 176.222 176.300 -0.130 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.631 32.600 0.052 0.000 1.302 2 K N 0.983 121.293 120.400 -0.149 0.000 2.306 2 K HA 0.201 4.536 4.320 0.025 0.000 0.200 2 K C 0.654 176.957 176.600 -0.495 0.000 1.083 2 K CA 0.889 56.954 56.287 -0.370 0.000 0.959 2 K CB 0.526 32.719 32.500 -0.511 0.000 0.994 2 K HN 0.655 nan 8.250 nan 0.000 0.492 3 Y N 0.104 120.328 120.300 -0.126 0.000 2.441 3 Y HA 0.008 4.561 4.550 0.006 0.000 0.288 3 Y C 1.827 177.647 175.900 -0.133 0.000 1.118 3 Y CA 0.002 58.035 58.100 -0.112 0.000 1.215 3 Y CB -0.038 38.377 38.460 -0.074 0.000 1.118 3 Y HN -0.010 nan 8.280 nan 0.000 0.547 4 L N 1.579 122.805 121.223 0.005 0.000 2.012 4 L HA -0.103 4.252 4.340 0.025 0.000 0.210 4 L C -0.926 175.834 176.870 -0.184 0.000 1.073 4 L CA 2.093 56.910 54.840 -0.038 0.000 0.748 4 L CB -1.604 40.480 42.059 0.042 0.000 0.891 4 L HN 0.001 nan 8.230 nan 0.000 0.431 5 P HA -0.211 nan 4.420 nan 0.000 0.216 5 P C 1.454 178.601 177.300 -0.255 0.000 1.150 5 P CA 1.430 64.110 63.100 -0.700 0.000 0.837 5 P CB 0.056 31.129 31.700 -1.045 0.000 0.786 6 Q N -0.270 119.413 119.800 -0.195 0.000 2.062 6 Q HA -0.187 4.168 4.340 0.025 0.000 0.196 6 Q C 2.364 178.341 176.000 -0.040 0.000 0.967 6 Q CA 1.556 57.300 55.803 -0.099 0.000 0.832 6 Q CB -0.865 27.817 28.738 -0.094 0.000 0.899 6 Q HN -0.001 nan 8.270 nan 0.000 0.442 7 Q N 0.283 120.072 119.800 -0.019 0.000 2.079 7 Q HA -0.073 4.282 4.340 0.025 0.000 0.200 7 Q C -0.356 175.652 176.000 0.014 0.000 0.974 7 Q CA 1.695 57.504 55.803 0.009 0.000 0.840 7 Q CB 0.233 28.987 28.738 0.027 0.000 0.898 7 Q HN 0.263 nan 8.270 nan 0.000 0.430 8 D N -1.440 118.973 120.400 0.022 0.000 2.429 8 D HA 0.213 4.868 4.640 0.025 0.000 0.255 8 D C -2.262 174.092 176.300 0.090 0.000 1.257 8 D CA -1.761 52.269 54.000 0.049 0.000 0.890 8 D CB 1.298 42.131 40.800 0.054 0.000 1.267 8 D HN -0.038 nan 8.370 nan 0.000 0.521 9 P HA -0.162 nan 4.420 nan 0.000 0.216 9 P C 1.424 178.802 177.300 0.129 0.000 1.153 9 P CA 1.309 64.481 63.100 0.120 0.000 0.858 9 P CB 0.539 32.282 31.700 0.071 0.000 0.789 10 Q N -0.818 119.030 119.800 0.080 0.000 2.020 10 Q HA -0.112 4.243 4.340 0.025 0.000 0.202 10 Q C 2.150 178.185 176.000 0.058 0.000 0.982 10 Q CA 1.417 57.253 55.803 0.055 0.000 0.838 10 Q CB -0.862 27.898 28.738 0.036 0.000 0.899 10 Q HN 0.095 nan 8.270 nan 0.000 0.423 11 V N 0.593 120.551 119.914 0.074 0.000 2.343 11 V HA -0.246 3.889 4.120 0.025 0.000 0.247 11 V C 1.953 178.106 176.094 0.099 0.000 1.051 11 V CA 1.750 64.093 62.300 0.071 0.000 1.036 11 V CB -0.613 31.252 31.823 0.070 0.000 0.654 11 V HN 0.312 nan 8.190 nan 0.000 0.451 12 F N 1.594 121.545 119.950 0.002 0.000 2.102 12 F HA -0.169 4.363 4.527 0.007 0.000 0.298 12 F C 2.292 178.092 175.800 -0.001 0.000 1.105 12 F CA 1.391 59.392 58.000 0.001 0.000 1.239 12 F CB -0.687 38.313 39.000 -0.001 0.000 0.991 12 F HN 0.077 nan 8.300 nan 0.000 0.474 13 A N 0.274 123.049 122.820 -0.075 0.000 1.908 13 A HA -0.075 4.260 4.320 0.025 0.000 0.218 13 A C 2.421 179.901 177.584 -0.172 0.000 1.181 13 A CA 1.931 53.872 52.037 -0.160 0.000 0.627 13 A CB -1.555 17.429 19.000 -0.027 0.000 0.818 13 A HN 0.507 nan 8.150 nan 0.000 0.445 14 A N -0.213 122.547 122.820 -0.100 0.000 1.898 14 A HA -0.022 4.312 4.320 0.025 0.000 0.216 14 A C 2.116 179.638 177.584 -0.104 0.000 1.181 14 A CA 1.395 53.386 52.037 -0.077 0.000 0.620 14 A CB -0.547 18.433 19.000 -0.033 0.000 0.819 14 A HN 0.485 nan 8.150 nan 0.000 0.442 15 I N -0.357 120.134 120.570 -0.132 0.000 2.226 15 I HA -0.212 3.973 4.170 0.025 0.000 0.245 15 I C 2.442 178.438 176.117 -0.201 0.000 1.100 15 I CA 1.197 62.420 61.300 -0.129 0.000 1.374 15 I CB -0.299 37.653 38.000 -0.080 0.000 1.057 15 I HN 0.309 nan 8.210 nan 0.000 0.413 16 E N 0.604 120.578 120.200 -0.377 0.000 2.110 16 E HA -0.239 4.126 4.350 0.025 0.000 0.193 16 E C 2.151 178.635 176.600 -0.192 0.000 0.988 16 E CA 1.174 57.354 56.400 -0.365 0.000 0.804 16 E CB -0.242 29.107 29.700 -0.586 0.000 0.745 16 E HN 0.595 nan 8.360 nan 0.000 0.458 17 Q N 0.338 120.045 119.800 -0.154 0.000 2.061 17 Q HA -0.217 4.138 4.340 0.025 0.000 0.204 17 Q C 2.153 178.121 176.000 -0.054 0.000 0.984 17 Q CA 1.694 57.446 55.803 -0.084 0.000 0.846 17 Q CB -0.122 28.578 28.738 -0.065 0.000 0.902 17 Q HN 0.102 nan 8.270 nan 0.000 0.421 18 E N 1.067 121.235 120.200 -0.054 0.000 2.077 18 E HA -0.196 4.169 4.350 0.025 0.000 0.193 18 E C 1.823 178.417 176.600 -0.010 0.000 0.989 18 E CA 1.306 57.693 56.400 -0.021 0.000 0.800 18 E CB -0.069 29.620 29.700 -0.017 0.000 0.746 18 E HN 0.174 nan 8.360 nan 0.000 0.452 19 R N 0.213 120.691 120.500 -0.037 0.000 2.083 19 R HA -0.140 4.215 4.340 0.025 0.000 0.237 19 R C 2.137 178.425 176.300 -0.020 0.000 1.137 19 R CA 1.981 58.062 56.100 -0.032 0.000 0.951 19 R CB -0.064 30.200 30.300 -0.060 0.000 0.851 19 R HN 0.088 nan 8.270 nan 0.000 0.434 20 K N -0.318 120.065 120.400 -0.028 0.000 2.097 20 K HA -0.122 4.213 4.320 0.025 0.000 0.205 20 K C 2.262 178.887 176.600 0.043 0.000 1.050 20 K CA 1.037 57.324 56.287 0.001 0.000 0.938 20 K CB -0.178 32.307 32.500 -0.024 0.000 0.718 20 K HN 0.129 nan 8.250 nan 0.000 0.442 21 R N 1.628 122.142 120.500 0.023 0.000 2.083 21 R HA -0.197 4.158 4.340 0.025 0.000 0.237 21 R C 2.123 178.452 176.300 0.048 0.000 1.137 21 R CA 1.776 57.896 56.100 0.034 0.000 0.951 21 R CB -0.086 30.229 30.300 0.025 0.000 0.851 21 R HN 0.294 nan 8.270 nan 0.000 0.434 22 Q N -1.329 118.502 119.800 0.053 0.000 2.181 22 Q HA -0.243 4.112 4.340 0.025 0.000 0.205 22 Q C 1.935 177.903 176.000 -0.053 0.000 0.980 22 Q CA 1.974 57.813 55.803 0.060 0.000 0.862 22 Q CB -0.179 28.604 28.738 0.076 0.000 0.905 22 Q HN 0.551 nan 8.270 nan 0.000 0.429 23 H N -0.337 118.661 119.070 -0.120 0.000 2.372 23 H HA 0.080 4.650 4.556 0.024 0.000 0.301 23 H C 1.811 177.110 175.328 -0.049 0.000 1.065 23 H CA 1.400 57.371 56.048 -0.128 0.000 1.364 23 H CB 0.067 29.767 29.762 -0.103 0.000 1.406 23 H HN 0.211 nan 8.280 nan 0.000 0.521 24 A N 1.073 123.891 122.820 -0.003 0.000 1.929 24 A HA 0.025 4.360 4.320 0.025 0.000 0.216 24 A C 1.000 178.563 177.584 -0.035 0.000 1.176 24 A CA 0.588 52.616 52.037 -0.015 0.000 0.628 24 A CB -0.018 19.016 19.000 0.057 0.000 0.816 24 A HN 0.184 nan 8.150 nan 0.000 0.444 25 K N -0.257 120.136 120.400 -0.012 0.000 2.098 25 K HA 0.500 4.835 4.320 0.025 0.000 0.257 25 K C -0.730 175.877 176.600 0.013 0.000 0.999 25 K CA -0.382 55.914 56.287 0.015 0.000 0.924 25 K CB 0.979 33.501 32.500 0.036 0.000 1.028 25 K HN 0.237 nan 8.250 nan 0.000 0.466 26 I N 2.046 122.637 120.570 0.035 0.000 2.291 26 I HA 0.023 4.207 4.170 0.025 0.000 0.290 26 I C 0.350 176.483 176.117 0.027 0.000 1.050 26 I CA -0.548 60.773 61.300 0.035 0.000 1.245 26 I CB 0.660 38.715 38.000 0.092 0.000 1.405 26 I HN 0.423 nan 8.210 nan 0.000 0.478 27 E N 7.315 127.532 120.200 0.029 0.000 2.052 27 E HA 0.221 4.586 4.350 0.025 0.000 0.283 27 E C -0.097 176.495 176.600 -0.013 0.000 1.071 27 E CA 0.138 56.556 56.400 0.030 0.000 0.851 27 E CB 0.569 30.313 29.700 0.074 0.000 1.066 27 E HN 0.583 nan 8.360 nan 0.000 0.396 28 L N 4.895 126.113 121.223 -0.007 0.000 2.808 28 L HA 0.348 4.703 4.340 0.025 0.000 0.246 28 L C 0.336 177.202 176.870 -0.007 0.000 1.153 28 L CA -0.382 54.452 54.840 -0.009 0.000 0.956 28 L CB 0.121 42.176 42.059 -0.007 0.000 1.270 28 L HN 0.542 nan 8.230 nan 0.000 0.528 29 I N 1.104 121.670 120.570 -0.007 0.000 2.662 29 I HA -0.084 4.101 4.170 0.025 0.000 0.285 29 I C 1.624 177.761 176.117 0.034 0.000 1.161 29 I CA 0.026 61.332 61.300 0.010 0.000 1.415 29 I CB 1.385 39.389 38.000 0.007 0.000 1.385 29 I HN 0.164 nan 8.210 nan 0.000 0.552 30 A N 4.610 127.480 122.820 0.084 0.000 2.070 30 A HA -0.143 4.192 4.320 0.025 0.000 0.220 30 A C 2.149 179.877 177.584 0.240 0.000 1.159 30 A CA 1.755 53.894 52.037 0.171 0.000 0.656 30 A CB -0.408 18.686 19.000 0.157 0.000 0.800 30 A HN 0.808 nan 8.150 nan 0.000 0.453 31 S N -0.583 115.207 115.700 0.151 0.000 2.593 31 S HA 0.109 4.594 4.470 0.025 0.000 0.217 31 S C 0.368 174.942 174.600 -0.044 0.000 0.966 31 S CA -0.254 57.915 58.200 -0.052 0.000 0.914 31 S CB 0.042 63.222 63.200 -0.034 0.000 0.776 31 S HN 0.475 nan 8.310 nan 0.000 0.523 32 E N 2.004 122.175 120.200 -0.048 0.000 2.283 32 E HA 0.530 4.895 4.350 0.025 0.000 0.267 32 E C -0.386 176.078 176.600 -0.226 0.000 1.045 32 E CA -0.380 55.937 56.400 -0.139 0.000 0.884 32 E CB 0.811 30.398 29.700 -0.188 0.000 1.106 32 E HN 0.232 nan 8.360 nan 0.000 0.408 33 N N 0.018 118.501 118.700 -0.362 0.000 3.179 33 N HA 0.360 5.115 4.740 0.025 0.000 0.250 33 N C -1.840 173.276 175.510 -0.657 0.000 1.507 33 N CA -0.513 52.277 53.050 -0.434 0.000 0.883 33 N CB 0.894 39.320 38.487 -0.102 0.000 1.435 33 N HN 0.157 nan 8.380 nan 0.000 0.532 34 F N 1.025 120.981 119.950 0.010 0.000 2.477 34 F HA 0.381 4.918 4.527 0.017 0.000 0.335 34 F C 0.722 176.515 175.800 -0.013 0.000 1.130 34 F CA -0.874 57.122 58.000 -0.007 0.000 0.948 34 F CB 1.177 40.166 39.000 -0.018 0.000 1.154 34 F HN 0.148 nan 8.300 nan 0.000 0.439 35 V N 0.336 120.338 119.914 0.147 0.000 3.083 35 V HA 0.653 4.788 4.120 0.025 0.000 0.306 35 V C 0.411 176.546 176.094 0.069 0.000 1.077 35 V CA -0.827 61.520 62.300 0.077 0.000 1.073 35 V CB 1.110 32.959 31.823 0.043 0.000 1.081 35 V HN 0.835 nan 8.190 nan 0.000 0.474 36 S N 2.473 118.194 115.700 0.034 0.000 2.600 36 S HA 0.322 4.807 4.470 0.025 0.000 0.265 36 S C 0.923 175.534 174.600 0.018 0.000 1.325 36 S CA -0.125 58.088 58.200 0.022 0.000 1.002 36 S CB 0.654 63.859 63.200 0.009 0.000 0.921 36 S HN 0.762 nan 8.310 nan 0.000 0.554 37 R N 0.974 121.482 120.500 0.013 0.000 2.096 37 R HA -0.090 4.265 4.340 0.025 0.000 0.235 37 R C 2.573 178.876 176.300 0.005 0.000 1.127 37 R CA 1.387 57.493 56.100 0.011 0.000 0.968 37 R CB -1.005 29.300 30.300 0.008 0.000 0.861 37 R HN 0.828 nan 8.270 nan 0.000 0.440 38 A N 0.657 123.477 122.820 0.000 0.000 1.902 38 A HA -0.122 4.213 4.320 0.025 0.000 0.217 38 A C 2.344 179.919 177.584 -0.015 0.000 1.181 38 A CA 1.395 53.428 52.037 -0.007 0.000 0.623 38 A CB -0.511 18.484 19.000 -0.009 0.000 0.818 38 A HN 0.123 nan 8.150 nan 0.000 0.443 39 V N -0.141 119.763 119.914 -0.017 0.000 2.343 39 V HA -0.316 3.819 4.120 0.025 0.000 0.247 39 V C 2.648 178.731 176.094 -0.019 0.000 1.051 39 V CA 2.280 64.562 62.300 -0.031 0.000 1.036 39 V CB -0.656 31.149 31.823 -0.031 0.000 0.654 39 V HN 0.581 nan 8.190 nan 0.000 0.451 40 M N -0.796 118.803 119.600 -0.002 0.000 2.117 40 M HA -0.199 4.296 4.480 0.025 0.000 0.262 40 M C 2.211 178.517 176.300 0.010 0.000 1.065 40 M CA 1.829 57.134 55.300 0.008 0.000 1.114 40 M CB -0.512 32.099 32.600 0.018 0.000 1.361 40 M HN 0.349 nan 8.290 nan 0.000 0.408 41 E N 0.397 120.600 120.200 0.006 0.000 2.118 41 E HA -0.190 4.175 4.350 0.025 0.000 0.195 41 E C 2.061 178.664 176.600 0.004 0.000 0.992 41 E CA 1.315 57.718 56.400 0.006 0.000 0.804 41 E CB -0.142 29.559 29.700 0.002 0.000 0.741 41 E HN 0.513 nan 8.360 nan 0.000 0.458 42 A N 1.130 123.948 122.820 -0.004 0.000 1.902 42 A HA -0.229 4.106 4.320 0.025 0.000 0.217 42 A C 2.022 179.619 177.584 0.022 0.000 1.181 42 A CA 1.246 53.280 52.037 -0.005 0.000 0.623 42 A CB -0.342 18.640 19.000 -0.030 0.000 0.818 42 A HN 0.185 nan 8.150 nan 0.000 0.443 43 Q N -0.925 118.888 119.800 0.022 0.000 2.224 43 Q HA -0.071 4.283 4.340 0.025 0.000 0.203 43 Q C 1.696 177.762 176.000 0.111 0.000 0.970 43 Q CA 0.998 56.842 55.803 0.069 0.000 0.865 43 Q CB -0.258 28.495 28.738 0.026 0.000 0.922 43 Q HN 0.649 nan 8.270 nan 0.000 0.445 44 G N 1.223 110.052 108.800 0.047 0.000 3.262 44 G HA2 0.035 4.010 3.960 0.025 0.000 0.228 44 G HA3 0.035 4.010 3.960 0.025 0.000 0.228 44 G C 0.342 175.236 174.900 -0.011 0.000 1.197 44 G CA 0.013 45.125 45.100 0.020 0.000 0.819 44 G HN 0.258 nan 8.290 nan 0.000 0.531 45 S N -0.801 114.896 115.700 -0.004 0.000 2.707 45 S HA 0.287 4.772 4.470 0.025 0.000 0.276 45 S C 1.555 176.108 174.600 -0.078 0.000 1.179 45 S CA 0.038 58.220 58.200 -0.029 0.000 0.992 45 S CB 1.524 64.720 63.200 -0.006 0.000 1.030 45 S HN 0.536 nan 8.310 nan 0.000 0.554 46 V N -0.775 119.093 119.914 -0.076 0.000 3.383 46 V HA 0.038 4.173 4.120 0.025 0.000 0.272 46 V C 1.666 177.696 176.094 -0.108 0.000 1.181 46 V CA 0.842 63.081 62.300 -0.101 0.000 1.171 46 V CB -1.419 30.357 31.823 -0.078 0.000 0.800 46 V HN 0.686 nan 8.190 nan 0.000 0.515 47 L N 0.979 122.157 121.223 -0.075 0.000 2.353 47 L HA -0.090 4.265 4.340 0.025 0.000 0.220 47 L C 2.741 179.542 176.870 -0.116 0.000 1.133 47 L CA 2.274 57.087 54.840 -0.044 0.000 0.798 47 L CB -1.318 40.762 42.059 0.035 0.000 0.922 47 L HN 0.527 nan 8.230 nan 0.000 0.445 48 T N -1.020 113.320 114.554 -0.358 0.000 2.929 48 T HA -0.181 4.184 4.350 0.025 0.000 0.271 48 T C 1.566 176.074 174.700 -0.319 0.000 1.085 48 T CA 1.736 63.460 62.100 -0.627 0.000 1.125 48 T CB -0.389 67.921 68.868 -0.930 0.000 0.874 48 T HN 0.532 nan 8.240 nan 0.000 0.494 49 N N -0.045 118.522 118.700 -0.221 0.000 2.515 49 N HA 0.030 4.785 4.740 0.025 0.000 0.185 49 N C 0.312 175.731 175.510 -0.153 0.000 1.109 49 N CA 0.202 53.153 53.050 -0.165 0.000 0.903 49 N CB 0.163 38.579 38.487 -0.118 0.000 0.969 49 N HN 0.124 nan 8.380 nan 0.000 0.450 50 K N 0.758 121.063 120.400 -0.159 0.000 2.293 50 K HA 0.160 4.495 4.320 0.025 0.000 0.267 50 K C -1.463 174.996 176.600 -0.236 0.000 1.010 50 K CA -0.559 55.641 56.287 -0.145 0.000 0.875 50 K CB 0.199 32.651 32.500 -0.080 0.000 1.106 50 K HN -0.083 nan 8.250 nan 0.000 0.450 51 Y N 2.457 122.555 120.300 -0.338 0.000 2.465 51 Y HA 0.298 4.867 4.550 0.033 0.000 0.331 51 Y C 0.560 176.142 175.900 -0.530 0.000 1.102 51 Y CA 0.438 58.201 58.100 -0.562 0.000 1.358 51 Y CB 1.220 39.027 38.460 -1.088 0.000 1.213 51 Y HN 0.714 nan 8.280 nan 0.000 0.525 52 A N 4.774 127.554 122.820 -0.068 0.000 3.045 52 A HA 0.240 4.575 4.320 0.025 0.000 0.244 52 A C -0.312 177.277 177.584 0.007 0.000 0.917 52 A CA -0.645 51.399 52.037 0.012 0.000 1.075 52 A CB -0.250 18.724 19.000 -0.044 0.000 1.202 52 A HN 0.779 nan 8.150 nan 0.000 0.486 53 Q N 0.192 120.075 119.800 0.138 0.000 2.315 53 Q HA 0.406 4.761 4.340 0.025 0.000 0.289 53 Q C 0.935 176.793 176.000 -0.238 0.000 1.044 53 Q CA 1.287 56.902 55.803 -0.313 0.000 0.920 53 Q CB 0.629 29.142 28.738 -0.374 0.000 1.214 53 Q HN 1.266 nan 8.270 nan 0.000 0.392 54 G N 0.946 109.421 108.800 -0.541 0.000 2.472 54 G HA2 -0.209 3.766 3.960 0.025 0.000 0.205 54 G HA3 -0.209 3.766 3.960 0.025 0.000 0.205 54 G C -1.625 172.968 174.900 -0.511 0.000 1.270 54 G CA -0.798 44.241 45.100 -0.102 0.000 0.974 54 G HN 0.519 nan 8.290 nan 0.000 0.542 55 Y N -0.089 120.246 120.300 0.058 0.000 2.605 55 Y HA 0.603 5.169 4.550 0.026 0.000 0.343 55 Y C -2.047 173.862 175.900 0.016 0.000 1.036 55 Y CA -1.837 56.297 58.100 0.057 0.000 1.065 55 Y CB 2.071 40.593 38.460 0.103 0.000 1.288 55 Y HN 0.428 nan 8.280 nan 0.000 0.481 56 P HA 0.037 nan 4.420 nan 0.000 0.260 56 P C 0.621 177.961 177.300 0.067 0.000 1.172 56 P CA 2.146 65.300 63.100 0.091 0.000 0.760 56 P CB 0.200 31.959 31.700 0.098 0.000 0.773 57 G N 3.177 111.988 108.800 0.018 0.000 2.184 57 G HA2 -0.270 3.705 3.960 0.025 0.000 0.264 57 G HA3 -0.270 3.705 3.960 0.025 0.000 0.264 57 G C 0.497 175.385 174.900 -0.020 0.000 0.975 57 G CA -0.224 44.875 45.100 -0.002 0.000 0.642 57 G HN 0.559 nan 8.290 nan 0.000 0.536 58 R N 0.083 120.570 120.500 -0.022 0.000 2.647 58 R HA 0.256 4.611 4.340 0.025 0.000 0.295 58 R C 0.322 176.487 176.300 -0.225 0.000 1.267 58 R CA -0.468 55.577 56.100 -0.091 0.000 1.386 58 R CB 0.381 30.684 30.300 0.004 0.000 1.309 58 R HN 0.262 nan 8.270 nan 0.000 0.692 59 R N -0.023 120.346 120.500 -0.218 0.000 2.549 59 R HA 0.271 4.626 4.340 0.025 0.000 0.267 59 R C 0.457 176.515 176.300 -0.405 0.000 1.045 59 R CA -0.395 55.571 56.100 -0.222 0.000 1.115 59 R CB 0.559 30.837 30.300 -0.036 0.000 1.121 59 R HN 0.157 nan 8.270 nan 0.000 0.543 60 Y N -0.399 119.897 120.300 -0.007 0.000 2.468 60 Y HA 0.208 4.772 4.550 0.024 0.000 0.268 60 Y C -0.261 175.411 175.900 -0.379 0.000 1.177 60 Y CA -0.001 57.995 58.100 -0.173 0.000 1.265 60 Y CB 0.210 38.542 38.460 -0.213 0.000 1.103 60 Y HN 0.395 nan 8.280 nan 0.000 0.522 61 Y N -0.981 119.346 120.300 0.046 0.000 2.512 61 Y HA 0.610 5.178 4.550 0.030 0.000 0.348 61 Y C 0.833 176.729 175.900 -0.007 0.000 0.990 61 Y CA -1.890 56.225 58.100 0.024 0.000 1.033 61 Y CB 1.115 39.595 38.460 0.033 0.000 1.259 61 Y HN -0.061 nan 8.280 nan 0.000 0.461 62 G N 0.017 108.905 108.800 0.148 0.000 2.684 62 G HA2 0.376 4.351 3.960 0.025 0.000 0.255 62 G HA3 0.376 4.351 3.960 0.025 0.000 0.255 62 G C 0.873 175.808 174.900 0.058 0.000 1.219 62 G CA -0.035 45.106 45.100 0.069 0.000 0.901 62 G HN 1.474 nan 8.290 nan 0.000 0.548 63 G N -2.386 106.416 108.800 0.003 0.000 2.153 63 G HA2 -0.294 3.681 3.960 0.025 0.000 0.252 63 G HA3 -0.294 3.681 3.960 0.025 0.000 0.252 63 G C 0.894 175.763 174.900 -0.051 0.000 0.994 63 G CA 0.613 45.701 45.100 -0.020 0.000 0.698 63 G HN 0.950 nan 8.290 nan 0.000 0.521 64 C N 0.320 119.584 119.300 -0.061 0.000 2.625 64 C HA 0.339 4.814 4.460 0.025 0.000 0.285 64 C C 2.255 177.160 174.990 -0.141 0.000 1.279 64 C CA 0.400 59.379 59.018 -0.064 0.000 1.698 64 C CB -0.617 27.112 27.740 -0.020 0.000 1.821 64 C HN 0.643 nan 8.230 nan 0.000 0.600 65 E N 0.760 120.777 120.200 -0.305 0.000 2.130 65 E HA -0.207 4.158 4.350 0.025 0.000 0.196 65 E C 1.215 177.581 176.600 -0.391 0.000 0.998 65 E CA 1.836 57.969 56.400 -0.445 0.000 0.806 65 E CB -0.235 29.020 29.700 -0.742 0.000 0.738 65 E HN 0.801 nan 8.360 nan 0.000 0.459 66 Y N -0.707 119.595 120.300 0.003 0.000 2.301 66 Y HA -0.060 4.505 4.550 0.025 0.000 0.295 66 Y C 2.360 178.259 175.900 -0.001 0.000 1.119 66 Y CA 0.442 58.542 58.100 -0.000 0.000 1.162 66 Y CB -0.343 38.114 38.460 -0.005 0.000 1.046 66 Y HN 0.004 nan 8.280 nan 0.000 0.538 67 V N -1.663 118.315 119.914 0.107 0.000 2.594 67 V HA -0.219 3.916 4.120 0.025 0.000 0.253 67 V C 1.367 177.480 176.094 0.032 0.000 1.069 67 V CA 2.062 64.394 62.300 0.054 0.000 1.082 67 V CB -0.511 31.326 31.823 0.023 0.000 0.680 67 V HN 0.202 nan 8.190 nan 0.000 0.469 68 D N 1.009 121.417 120.400 0.014 0.000 2.097 68 D HA -0.094 4.561 4.640 0.025 0.000 0.195 68 D C 2.067 178.389 176.300 0.037 0.000 0.989 68 D CA 2.023 56.033 54.000 0.017 0.000 0.827 68 D CB -0.319 40.475 40.800 -0.010 0.000 0.966 68 D HN 0.535 nan 8.370 nan 0.000 0.456 69 I N 0.257 120.856 120.570 0.049 0.000 2.163 69 I HA -0.256 3.929 4.170 0.025 0.000 0.243 69 I C 2.403 178.554 176.117 0.056 0.000 1.085 69 I CA 0.658 61.995 61.300 0.062 0.000 1.347 69 I CB -0.240 37.817 38.000 0.096 0.000 1.044 69 I HN -0.089 nan 8.210 nan 0.000 0.408 70 V N 0.664 120.610 119.914 0.054 0.000 2.287 70 V HA -0.334 3.801 4.120 0.025 0.000 0.248 70 V C 2.504 178.617 176.094 0.032 0.000 1.053 70 V CA 2.359 64.681 62.300 0.035 0.000 1.027 70 V CB -0.643 31.197 31.823 0.028 0.000 0.646 70 V HN 0.499 nan 8.190 nan 0.000 0.447 71 E N -0.456 119.767 120.200 0.038 0.000 2.106 71 E HA -0.230 4.135 4.350 0.025 0.000 0.192 71 E C 2.279 178.922 176.600 0.071 0.000 0.984 71 E CA 1.061 57.492 56.400 0.051 0.000 0.806 71 E CB -0.038 29.696 29.700 0.056 0.000 0.750 71 E HN 0.482 nan 8.360 nan 0.000 0.458 72 E N 0.493 120.733 120.200 0.067 0.000 2.106 72 E HA -0.143 4.222 4.350 0.025 0.000 0.192 72 E C 2.222 178.863 176.600 0.068 0.000 0.984 72 E CA 0.553 56.994 56.400 0.068 0.000 0.806 72 E CB -0.099 29.636 29.700 0.058 0.000 0.750 72 E HN 0.379 nan 8.360 nan 0.000 0.458 73 L N 0.177 121.437 121.223 0.062 0.000 2.046 73 L HA -0.202 4.152 4.340 0.025 0.000 0.208 73 L C 2.531 179.463 176.870 0.103 0.000 1.077 73 L CA 1.281 56.160 54.840 0.064 0.000 0.747 73 L CB -0.481 41.605 42.059 0.044 0.000 0.896 73 L HN 0.069 nan 8.230 nan 0.000 0.432 74 A N 0.039 122.924 122.820 0.108 0.000 1.877 74 A HA -0.201 4.134 4.320 0.025 0.000 0.216 74 A C 2.377 180.133 177.584 0.288 0.000 1.186 74 A CA 1.489 53.653 52.037 0.213 0.000 0.620 74 A CB -0.460 18.602 19.000 0.103 0.000 0.822 74 A HN 0.321 nan 8.150 nan 0.000 0.443 75 R N -0.650 119.943 120.500 0.154 0.000 2.081 75 R HA -0.092 4.263 4.340 0.025 0.000 0.235 75 R C 2.057 178.389 176.300 0.053 0.000 1.131 75 R CA 1.306 57.455 56.100 0.083 0.000 0.960 75 R CB -0.313 30.008 30.300 0.036 0.000 0.856 75 R HN 0.465 nan 8.270 nan 0.000 0.436 76 E N 0.755 120.993 120.200 0.062 0.000 2.072 76 E HA -0.140 4.225 4.350 0.025 0.000 0.191 76 E C 2.040 178.658 176.600 0.030 0.000 0.985 76 E CA 1.145 57.569 56.400 0.040 0.000 0.801 76 E CB -0.095 29.629 29.700 0.041 0.000 0.750 76 E HN 0.298 nan 8.360 nan 0.000 0.452 77 R N 0.486 121.027 120.500 0.068 0.000 2.115 77 R HA -0.009 4.346 4.340 0.025 0.000 0.230 77 R C 2.322 178.584 176.300 -0.064 0.000 1.111 77 R CA 1.088 57.218 56.100 0.049 0.000 0.976 77 R CB -0.274 30.119 30.300 0.155 0.000 0.870 77 R HN 0.096 nan 8.270 nan 0.000 0.445 78 A N 1.552 124.311 122.820 -0.101 0.000 1.902 78 A HA -0.198 4.137 4.320 0.025 0.000 0.217 78 A C 1.882 179.420 177.584 -0.077 0.000 1.181 78 A CA 1.423 53.285 52.037 -0.292 0.000 0.623 78 A CB -0.231 18.590 19.000 -0.299 0.000 0.818 78 A HN 0.184 nan 8.150 nan 0.000 0.443 79 K N -0.460 119.917 120.400 -0.039 0.000 2.057 79 K HA -0.168 4.167 4.320 0.025 0.000 0.207 79 K C 2.343 178.927 176.600 -0.028 0.000 1.049 79 K CA 1.666 57.948 56.287 -0.008 0.000 0.931 79 K CB -0.220 32.279 32.500 -0.002 0.000 0.714 79 K HN 0.607 nan 8.250 nan 0.000 0.440 80 Q N 0.336 120.103 119.800 -0.054 0.000 2.096 80 Q HA -0.183 4.172 4.340 0.025 0.000 0.204 80 Q C 2.061 177.972 176.000 -0.148 0.000 0.982 80 Q CA 1.128 56.886 55.803 -0.075 0.000 0.850 80 Q CB -0.122 28.576 28.738 -0.066 0.000 0.901 80 Q HN 0.141 nan 8.270 nan 0.000 0.422 81 L N -0.954 120.110 121.223 -0.266 0.000 2.093 81 L HA -0.100 4.255 4.340 0.025 0.000 0.208 81 L C 1.290 177.770 176.870 -0.650 0.000 1.085 81 L CA 1.797 56.308 54.840 -0.548 0.000 0.755 81 L CB -0.123 41.421 42.059 -0.859 0.000 0.904 81 L HN 0.153 nan 8.230 nan 0.000 0.435 82 F N -1.285 118.596 119.950 -0.115 0.000 2.728 82 F HA 0.409 4.949 4.527 0.022 0.000 0.314 82 F C 1.686 177.447 175.800 -0.064 0.000 1.094 82 F CA 0.230 58.177 58.000 -0.088 0.000 1.217 82 F CB -0.258 38.668 39.000 -0.123 0.000 1.056 82 F HN 0.062 nan 8.300 nan 0.000 0.577 83 G N 1.380 110.219 108.800 0.065 0.000 2.198 83 G HA2 -0.122 3.853 3.960 0.025 0.000 0.260 83 G HA3 -0.122 3.853 3.960 0.025 0.000 0.260 83 G C 0.299 175.220 174.900 0.034 0.000 1.025 83 G CA 0.097 45.216 45.100 0.032 0.000 0.769 83 G HN 0.653 nan 8.290 nan 0.000 0.507 84 A N -0.799 122.052 122.820 0.051 0.000 2.302 84 A HA 0.746 5.081 4.320 0.025 0.000 0.285 84 A C 1.090 178.693 177.584 0.031 0.000 1.105 84 A CA 0.512 52.567 52.037 0.031 0.000 0.816 84 A CB 0.552 19.565 19.000 0.022 0.000 1.067 84 A HN 0.405 nan 8.150 nan 0.000 0.489 85 E N -0.673 119.551 120.200 0.041 0.000 2.158 85 E HA -0.046 4.319 4.350 0.025 0.000 0.191 85 E C -0.166 176.509 176.600 0.125 0.000 0.982 85 E CA 1.001 57.435 56.400 0.056 0.000 0.823 85 E CB 0.069 29.789 29.700 0.034 0.000 0.766 85 E HN 0.739 nan 8.360 nan 0.000 0.468 86 H N -1.109 117.969 119.070 0.012 0.000 2.894 86 H HA 0.558 5.129 4.556 0.026 0.000 0.367 86 H C -1.762 173.583 175.328 0.028 0.000 1.144 86 H CA -0.585 55.475 56.048 0.020 0.000 1.180 86 H CB 1.682 31.459 29.762 0.025 0.000 1.758 86 H HN -0.014 nan 8.280 nan 0.000 0.541 87 A N 3.926 126.382 122.820 -0.607 0.000 2.386 87 A HA 0.464 4.799 4.320 0.025 0.000 0.311 87 A C -1.134 176.137 177.584 -0.522 0.000 1.068 87 A CA -0.860 50.940 52.037 -0.396 0.000 0.743 87 A CB 1.258 20.158 19.000 -0.167 0.000 1.258 87 A HN 0.715 nan 8.150 nan 0.000 0.429 88 N N 1.913 120.497 118.700 -0.193 0.000 2.442 88 N HA 0.321 5.076 4.740 0.025 0.000 0.274 88 N C 0.059 175.605 175.510 0.059 0.000 1.002 88 N CA -0.161 52.885 53.050 -0.008 0.000 0.910 88 N CB 1.924 40.476 38.487 0.108 0.000 1.244 88 N HN 0.714 nan 8.380 nan 0.000 0.492 89 V N 1.309 121.284 119.914 0.102 0.000 3.542 89 V HA 0.215 4.350 4.120 0.025 0.000 0.296 89 V C 1.302 177.440 176.094 0.073 0.000 1.364 89 V CA 0.316 62.686 62.300 0.117 0.000 1.118 89 V CB -0.068 31.852 31.823 0.161 0.000 0.972 89 V HN 0.534 nan 8.190 nan 0.000 0.430 90 Q N 0.725 120.567 119.800 0.071 0.000 2.389 90 Q HA 0.153 4.508 4.340 0.025 0.000 0.204 90 Q C -1.557 174.386 176.000 -0.095 0.000 0.944 90 Q CA -0.308 55.491 55.803 -0.006 0.000 0.908 90 Q CB -0.897 27.835 28.738 -0.010 0.000 1.002 90 Q HN 0.558 nan 8.270 nan 0.000 0.493 91 P HA -0.097 nan 4.420 nan 0.000 0.264 91 P C -0.094 177.169 177.300 -0.062 0.000 1.193 91 P CA 0.522 63.559 63.100 -0.105 0.000 0.763 91 P CB 0.433 32.115 31.700 -0.031 0.000 0.810 92 H N 0.542 119.609 119.070 -0.004 0.000 2.518 92 H HA 0.005 4.576 4.556 0.025 0.000 0.289 92 H C 0.936 176.263 175.328 -0.002 0.000 1.051 92 H CA 1.149 57.185 56.048 -0.020 0.000 1.280 92 H CB 0.035 29.781 29.762 -0.027 0.000 1.380 92 H HN 0.500 nan 8.280 nan 0.000 0.566 93 S N -2.975 112.798 115.700 0.121 0.000 2.615 93 S HA 0.379 4.864 4.470 0.025 0.000 0.268 93 S C 1.277 175.924 174.600 0.079 0.000 1.146 93 S CA -0.391 57.879 58.200 0.116 0.000 0.818 93 S CB 1.060 64.326 63.200 0.110 0.000 1.111 93 S HN 0.099 nan 8.310 nan 0.000 0.465 94 G N 0.856 109.703 108.800 0.079 0.000 2.440 94 G HA2 0.048 4.023 3.960 0.025 0.000 0.218 94 G HA3 0.048 4.023 3.960 0.025 0.000 0.218 94 G C 1.528 176.453 174.900 0.043 0.000 1.154 94 G CA 1.287 46.392 45.100 0.009 0.000 0.767 94 G HN 1.403 nan 8.290 nan 0.000 0.552 95 A N 0.238 123.119 122.820 0.101 0.000 1.865 95 A HA -0.150 4.185 4.320 0.025 0.000 0.217 95 A C 2.388 180.033 177.584 0.103 0.000 1.191 95 A CA 2.299 54.441 52.037 0.176 0.000 0.623 95 A CB -0.471 18.645 19.000 0.192 0.000 0.826 95 A HN 0.355 nan 8.150 nan 0.000 0.444 96 Q N -0.589 119.229 119.800 0.030 0.000 2.167 96 Q HA 0.111 4.466 4.340 0.025 0.000 0.202 96 Q C 2.299 178.270 176.000 -0.048 0.000 0.970 96 Q CA 1.560 57.340 55.803 -0.039 0.000 0.855 96 Q CB -0.659 28.058 28.738 -0.034 0.000 0.911 96 Q HN 0.652 nan 8.270 nan 0.000 0.438 97 A N 0.903 123.705 122.820 -0.030 0.000 1.865 97 A HA -0.259 4.076 4.320 0.025 0.000 0.217 97 A C 1.820 179.341 177.584 -0.105 0.000 1.191 97 A CA 1.875 53.882 52.037 -0.051 0.000 0.623 97 A CB -0.687 18.288 19.000 -0.042 0.000 0.826 97 A HN 0.350 nan 8.150 nan 0.000 0.444 98 N N -0.607 118.029 118.700 -0.106 0.000 2.084 98 N HA -0.171 4.584 4.740 0.025 0.000 0.190 98 N C 1.745 177.021 175.510 -0.391 0.000 1.030 98 N CA 1.737 54.611 53.050 -0.294 0.000 0.849 98 N CB -0.560 37.851 38.487 -0.127 0.000 1.012 98 N HN 0.626 nan 8.380 nan 0.000 0.423 99 M N 0.617 120.224 119.600 0.012 0.000 2.089 99 M HA -0.220 4.275 4.480 0.025 0.000 0.257 99 M C 1.808 178.146 176.300 0.063 0.000 1.071 99 M CA 1.973 57.338 55.300 0.108 0.000 1.096 99 M CB -0.051 32.389 32.600 -0.267 0.000 1.330 99 M HN 0.210 nan 8.290 nan 0.000 0.403 100 A N -0.790 122.007 122.820 -0.038 0.000 1.930 100 A HA -0.081 4.254 4.320 0.025 0.000 0.217 100 A C 2.006 179.578 177.584 -0.021 0.000 1.175 100 A CA 1.651 53.695 52.037 0.011 0.000 0.627 100 A CB -0.962 18.032 19.000 -0.010 0.000 0.815 100 A HN 0.433 nan 8.150 nan 0.000 0.443 101 V N -0.944 118.853 119.914 -0.196 0.000 2.295 101 V HA -0.265 3.870 4.120 0.025 0.000 0.246 101 V C 2.430 178.353 176.094 -0.284 0.000 1.049 101 V CA 1.862 63.914 62.300 -0.413 0.000 1.024 101 V CB -1.130 30.377 31.823 -0.527 0.000 0.648 101 V HN 0.628 nan 8.190 nan 0.000 0.447 102 Y N -0.798 119.435 120.300 -0.111 0.000 2.165 102 Y HA -0.220 4.345 4.550 0.026 0.000 0.286 102 Y C 2.308 178.206 175.900 -0.003 0.000 1.155 102 Y CA 1.021 59.045 58.100 -0.127 0.000 1.164 102 Y CB -1.293 37.208 38.460 0.069 0.000 0.978 102 Y HN 0.274 nan 8.280 nan 0.000 0.513 103 F N 0.700 120.748 119.950 0.163 0.000 2.202 103 F HA -0.217 4.326 4.527 0.026 0.000 0.301 103 F C 2.205 178.007 175.800 0.002 0.000 1.082 103 F CA 1.903 59.975 58.000 0.121 0.000 1.313 103 F CB -0.510 38.541 39.000 0.085 0.000 1.024 103 F HN -0.037 nan 8.300 nan 0.000 0.495 104 T N -0.612 113.915 114.554 -0.045 0.000 2.737 104 T HA -0.115 4.250 4.350 0.025 0.000 0.265 104 T C 1.925 176.467 174.700 -0.263 0.000 1.038 104 T CA 2.018 64.011 62.100 -0.178 0.000 1.144 104 T CB -0.460 68.249 68.868 -0.265 0.000 0.866 104 T HN 0.254 nan 8.240 nan 0.000 0.434 105 V N -1.891 117.816 119.914 -0.345 0.000 3.645 105 V HA 0.489 4.624 4.120 0.025 0.000 0.275 105 V C 0.339 176.303 176.094 -0.218 0.000 1.356 105 V CA -0.193 61.880 62.300 -0.378 0.000 1.051 105 V CB -0.428 30.941 31.823 -0.757 0.000 0.828 105 V HN 0.224 nan 8.190 nan 0.000 0.441 106 L N 1.083 122.194 121.223 -0.187 0.000 2.334 106 L HA 0.663 5.018 4.340 0.025 0.000 0.273 106 L C -0.104 176.785 176.870 0.032 0.000 1.013 106 L CA -0.463 54.301 54.840 -0.126 0.000 0.816 106 L CB 1.899 43.724 42.059 -0.390 0.000 1.278 106 L HN 0.148 nan 8.230 nan 0.000 0.431 107 E N 0.261 120.512 120.200 0.084 0.000 2.222 107 E HA 0.186 4.551 4.350 0.025 0.000 0.272 107 E C -0.587 176.174 176.600 0.269 0.000 0.982 107 E CA -0.796 55.689 56.400 0.141 0.000 0.842 107 E CB 1.293 31.039 29.700 0.077 0.000 1.144 107 E HN 0.471 nan 8.360 nan 0.000 0.397 108 H N 0.805 119.958 119.070 0.138 0.000 3.167 108 H HA -0.115 4.456 4.556 0.025 0.000 0.306 108 H C 0.920 176.290 175.328 0.070 0.000 0.965 108 H CA 1.910 57.989 56.048 0.051 0.000 1.408 108 H CB 0.243 30.003 29.762 -0.002 0.000 1.406 108 H HN 0.850 nan 8.280 nan 0.000 0.576 109 G N 4.410 112.935 108.800 -0.458 0.000 2.179 109 G HA2 -0.259 3.716 3.960 0.025 0.000 0.260 109 G HA3 -0.259 3.716 3.960 0.025 0.000 0.260 109 G C 0.085 174.940 174.900 -0.075 0.000 0.977 109 G CA 0.293 45.201 45.100 -0.321 0.000 0.641 109 G HN 0.706 nan 8.290 nan 0.000 0.533 110 D N 1.154 121.575 120.400 0.035 0.000 2.400 110 D HA 0.417 5.072 4.640 0.025 0.000 0.238 110 D C 0.891 177.136 176.300 -0.091 0.000 1.157 110 D CA 0.788 54.779 54.000 -0.016 0.000 0.889 110 D CB 0.628 41.408 40.800 -0.033 0.000 1.199 110 D HN 0.116 nan 8.370 nan 0.000 0.436 111 T N 1.102 115.582 114.554 -0.123 0.000 2.832 111 T HA 0.420 4.785 4.350 0.025 0.000 0.296 111 T C -0.036 174.473 174.700 -0.318 0.000 0.968 111 T CA -0.518 61.470 62.100 -0.186 0.000 1.107 111 T CB 0.769 69.581 68.868 -0.093 0.000 0.916 111 T HN -0.004 nan 8.240 nan 0.000 0.517 112 V N 4.116 123.697 119.914 -0.554 0.000 2.789 112 V HA 0.527 4.662 4.120 0.025 0.000 0.311 112 V C -0.755 175.005 176.094 -0.555 0.000 1.073 112 V CA -1.042 60.813 62.300 -0.742 0.000 0.921 112 V CB 1.995 32.884 31.823 -1.556 0.000 1.009 112 V HN 0.665 nan 8.190 nan 0.000 0.426 113 L N 3.862 124.947 121.223 -0.231 0.000 2.280 113 L HA 0.953 5.308 4.340 0.025 0.000 0.287 113 L C 0.232 177.196 176.870 0.157 0.000 1.023 113 L CA 0.501 55.346 54.840 0.007 0.000 0.819 113 L CB 0.874 43.013 42.059 0.133 0.000 1.212 113 L HN 0.807 nan 8.230 nan 0.000 0.420 114 G N 3.955 112.837 108.800 0.136 0.000 2.818 114 G HA2 0.441 4.416 3.960 0.025 0.000 0.286 114 G HA3 0.441 4.416 3.960 0.025 0.000 0.286 114 G C -1.181 173.369 174.900 -0.584 0.000 1.364 114 G CA -0.978 44.155 45.100 0.054 0.000 0.938 114 G HN 0.647 nan 8.290 nan 0.000 0.490 115 M N 1.638 120.835 119.600 -0.671 0.000 2.219 115 M HA 0.158 4.653 4.480 0.025 0.000 0.353 115 M C 0.585 176.581 176.300 -0.506 0.000 1.304 115 M CA -0.630 54.085 55.300 -0.974 0.000 1.115 115 M CB 0.395 32.781 32.600 -0.357 0.000 1.664 115 M HN 0.584 nan 8.290 nan 0.000 0.459 116 N N 4.421 122.789 118.700 -0.553 0.000 2.223 116 N HA -0.098 4.657 4.740 0.025 0.000 0.271 116 N C 0.610 175.954 175.510 -0.277 0.000 1.315 116 N CA 0.413 53.192 53.050 -0.451 0.000 0.835 116 N CB 0.383 38.380 38.487 -0.816 0.000 1.066 116 N HN 0.771 nan 8.380 nan 0.000 0.486 117 L N 2.795 123.886 121.223 -0.220 0.000 2.079 117 L HA -0.207 4.148 4.340 0.025 0.000 0.210 117 L C 2.227 179.027 176.870 -0.116 0.000 1.081 117 L CA 1.462 56.206 54.840 -0.161 0.000 0.752 117 L CB -0.666 41.282 42.059 -0.185 0.000 0.896 117 L HN 0.608 nan 8.230 nan 0.000 0.433 118 S N -2.256 113.381 115.700 -0.105 0.000 2.561 118 S HA -0.079 4.406 4.470 0.025 0.000 0.225 118 S C 1.418 176.069 174.600 0.084 0.000 0.977 118 S CA 0.230 58.411 58.200 -0.030 0.000 0.926 118 S CB -0.615 62.567 63.200 -0.030 0.000 0.769 118 S HN 0.556 nan 8.310 nan 0.000 0.533 119 H N 0.101 119.072 119.070 -0.165 0.000 2.586 119 H HA 0.353 4.924 4.556 0.025 0.000 0.273 119 H C 1.562 176.860 175.328 -0.050 0.000 0.997 119 H CA 0.047 56.018 56.048 -0.128 0.000 1.177 119 H CB 0.572 30.242 29.762 -0.154 0.000 1.471 119 H HN 0.622 nan 8.280 nan 0.000 0.538 120 G N 0.547 109.379 108.800 0.053 0.000 2.425 120 G HA2 -0.193 3.782 3.960 0.025 0.000 0.177 120 G HA3 -0.193 3.782 3.960 0.025 0.000 0.177 120 G C 0.714 175.634 174.900 0.033 0.000 0.999 120 G CA -0.348 44.780 45.100 0.046 0.000 0.723 120 G HN 0.534 nan 8.290 nan 0.000 0.491 121 G N -0.077 108.724 108.800 0.002 0.000 2.554 121 G HA2 0.429 4.404 3.960 0.025 0.000 0.238 121 G HA3 0.429 4.404 3.960 0.025 0.000 0.238 121 G C -0.059 174.829 174.900 -0.020 0.000 1.259 121 G CA 0.243 45.379 45.100 0.060 0.000 0.843 121 G HN 0.478 nan 8.290 nan 0.000 0.582 122 H N 1.268 120.166 119.070 -0.287 0.000 2.505 122 H HA 0.112 4.683 4.556 0.025 0.000 0.355 122 H C 1.480 176.550 175.328 -0.429 0.000 1.179 122 H CA -0.804 54.953 56.048 -0.486 0.000 1.343 122 H CB 1.547 30.844 29.762 -0.776 0.000 1.501 122 H HN 0.329 nan 8.280 nan 0.000 0.569 123 L N 2.807 123.383 121.223 -1.079 0.000 2.051 123 L HA -0.229 4.126 4.340 0.025 0.000 0.214 123 L C 2.384 178.947 176.870 -0.511 0.000 1.076 123 L CA 2.555 56.953 54.840 -0.737 0.000 0.758 123 L CB -0.646 40.956 42.059 -0.763 0.000 0.890 123 L HN 0.846 nan 8.230 nan 0.000 0.433 124 T N -4.564 109.772 114.554 -0.363 0.000 3.194 124 T HA -0.029 4.336 4.350 0.025 0.000 0.251 124 T C 0.809 175.518 174.700 0.015 0.000 1.132 124 T CA 0.281 62.324 62.100 -0.095 0.000 1.028 124 T CB -0.682 68.337 68.868 0.252 0.000 0.976 124 T HN 0.393 nan 8.240 nan 0.000 0.535 125 H N 0.880 119.825 119.070 -0.209 0.000 2.550 125 H HA 0.529 5.100 4.556 0.025 0.000 0.304 125 H C 1.595 176.343 175.328 -0.967 0.000 1.086 125 H CA -0.860 55.016 56.048 -0.287 0.000 1.089 125 H CB -0.153 29.589 29.762 -0.035 0.000 1.528 125 H HN 0.561 nan 8.280 nan 0.000 0.539 126 G N -0.029 107.996 108.800 -1.293 0.000 2.159 126 G HA2 -0.252 3.723 3.960 0.025 0.000 0.170 126 G HA3 -0.252 3.723 3.960 0.025 0.000 0.170 126 G C 0.396 174.942 174.900 -0.591 0.000 1.007 126 G CA 0.075 44.313 45.100 -1.437 0.000 0.672 126 G HN 0.478 nan 8.290 nan 0.000 0.507 127 S N 1.399 116.826 115.700 -0.455 0.000 2.546 127 S HA 0.374 4.859 4.470 0.025 0.000 0.290 127 S C 0.109 174.575 174.600 -0.223 0.000 1.290 127 S CA 0.074 58.100 58.200 -0.290 0.000 1.069 127 S CB 1.072 64.115 63.200 -0.262 0.000 0.846 127 S HN 0.195 nan 8.310 nan 0.000 0.495 128 P HA -0.032 nan 4.420 nan 0.000 0.230 128 P C 1.003 178.263 177.300 -0.066 0.000 1.158 128 P CA 0.788 63.833 63.100 -0.092 0.000 0.769 128 P CB -0.304 31.360 31.700 -0.060 0.000 0.807 129 V N -4.352 115.519 119.914 -0.071 0.000 3.542 129 V HA 0.267 4.402 4.120 0.025 0.000 0.296 129 V C 0.733 176.806 176.094 -0.035 0.000 1.364 129 V CA -0.427 61.852 62.300 -0.036 0.000 1.118 129 V CB -0.956 30.858 31.823 -0.015 0.000 0.972 129 V HN 0.022 nan 8.190 nan 0.000 0.430 130 N N 0.635 119.283 118.700 -0.087 0.000 2.430 130 N HA 0.236 4.991 4.740 0.025 0.000 0.298 130 N C 1.006 176.471 175.510 -0.076 0.000 1.130 130 N CA -0.157 52.847 53.050 -0.077 0.000 0.894 130 N CB 2.176 40.541 38.487 -0.204 0.000 1.209 130 N HN 0.205 nan 8.380 nan 0.000 0.503 131 F N 2.194 122.153 119.950 0.016 0.000 2.192 131 F HA -0.198 4.344 4.527 0.025 0.000 0.301 131 F C 2.266 178.101 175.800 0.058 0.000 1.079 131 F CA 1.522 59.545 58.000 0.039 0.000 1.303 131 F CB -1.017 38.031 39.000 0.079 0.000 1.024 131 F HN 0.448 nan 8.300 nan 0.000 0.494 132 S N 0.536 115.631 115.700 -1.009 0.000 2.359 132 S HA -0.082 4.402 4.470 0.025 0.000 0.224 132 S C 2.303 176.781 174.600 -0.204 0.000 1.035 132 S CA 1.040 58.879 58.200 -0.601 0.000 1.018 132 S CB -1.707 61.009 63.200 -0.807 0.000 0.876 132 S HN 0.571 nan 8.310 nan 0.000 0.448 133 G N 0.543 109.152 108.800 -0.318 0.000 2.511 133 G HA2 0.061 4.036 3.960 0.025 0.000 0.217 133 G HA3 0.061 4.036 3.960 0.025 0.000 0.217 133 G C 1.349 176.221 174.900 -0.047 0.000 1.133 133 G CA 0.676 45.691 45.100 -0.142 0.000 0.792 133 G HN 0.474 nan 8.290 nan 0.000 0.539 134 V N 0.144 120.020 119.914 -0.062 0.000 2.488 134 V HA -0.092 4.043 4.120 0.025 0.000 0.246 134 V C 2.592 178.657 176.094 -0.048 0.000 1.046 134 V CA 2.021 64.307 62.300 -0.024 0.000 1.053 134 V CB 0.194 32.026 31.823 0.015 0.000 0.679 134 V HN 0.437 nan 8.190 nan 0.000 0.458 135 Q N -0.924 118.789 119.800 -0.146 0.000 2.250 135 Q HA 0.050 4.405 4.340 0.025 0.000 0.200 135 Q C -0.052 175.541 176.000 -0.678 0.000 0.941 135 Q CA 1.006 56.579 55.803 -0.383 0.000 0.872 135 Q CB 0.215 28.605 28.738 -0.580 0.000 0.965 135 Q HN 0.645 nan 8.270 nan 0.000 0.480 136 Y N -0.903 119.400 120.300 0.005 0.000 2.602 136 Y HA 0.415 4.980 4.550 0.024 0.000 0.342 136 Y C -0.588 175.294 175.900 -0.030 0.000 1.029 136 Y CA -1.936 56.120 58.100 -0.072 0.000 1.080 136 Y CB 0.787 39.173 38.460 -0.123 0.000 1.284 136 Y HN -0.159 nan 8.280 nan 0.000 0.485 137 N N 1.168 119.889 118.700 0.035 0.000 2.602 137 N HA 0.241 4.996 4.740 0.025 0.000 0.238 137 N C -1.807 173.653 175.510 -0.083 0.000 1.084 137 N CA -0.134 52.906 53.050 -0.017 0.000 0.952 137 N CB -0.288 38.163 38.487 -0.061 0.000 1.244 137 N HN 0.409 nan 8.380 nan 0.000 0.512 138 F N 2.428 122.315 119.950 -0.106 0.000 2.410 138 F HA 0.280 4.822 4.527 0.025 0.000 0.348 138 F C 0.704 176.402 175.800 -0.171 0.000 1.106 138 F CA -0.443 57.476 58.000 -0.136 0.000 1.163 138 F CB 0.911 39.830 39.000 -0.136 0.000 1.129 138 F HN 0.143 nan 8.300 nan 0.000 0.516 139 V N 0.686 120.548 119.914 -0.087 0.000 2.919 139 V HA 0.980 5.115 4.120 0.025 0.000 0.316 139 V C -0.602 175.441 176.094 -0.084 0.000 1.077 139 V CA -1.177 61.013 62.300 -0.184 0.000 0.977 139 V CB 1.375 32.888 31.823 -0.516 0.000 1.039 139 V HN 0.889 nan 8.190 nan 0.000 0.441 140 A N 2.366 125.119 122.820 -0.111 0.000 2.365 140 A HA 0.914 5.249 4.320 0.025 0.000 0.318 140 A C -0.926 176.603 177.584 -0.093 0.000 1.091 140 A CA -0.725 51.211 52.037 -0.169 0.000 0.763 140 A CB 1.309 20.168 19.000 -0.236 0.000 1.248 140 A HN 1.496 nan 8.150 nan 0.000 0.442 141 Y N 0.163 120.442 120.300 -0.034 0.000 2.453 141 Y HA 0.820 5.385 4.550 0.025 0.000 0.326 141 Y C 0.488 176.336 175.900 -0.086 0.000 1.186 141 Y CA -0.882 57.196 58.100 -0.037 0.000 1.200 141 Y CB 0.931 39.381 38.460 -0.017 0.000 1.247 141 Y HN 0.758 nan 8.280 nan 0.000 0.482 142 G N 0.398 109.285 108.800 0.146 0.000 2.600 142 G HA2 0.571 4.546 3.960 0.025 0.000 0.303 142 G HA3 0.571 4.546 3.960 0.025 0.000 0.303 142 G C -0.935 174.161 174.900 0.327 0.000 1.253 142 G CA -0.737 44.456 45.100 0.155 0.000 0.974 142 G HN 1.075 nan 8.290 nan 0.000 0.483 143 V N -1.370 118.839 119.914 0.493 0.000 2.904 143 V HA 0.528 4.663 4.120 0.025 0.000 0.305 143 V C 0.158 176.464 176.094 0.353 0.000 1.067 143 V CA -0.918 61.575 62.300 0.321 0.000 1.044 143 V CB 1.505 33.506 31.823 0.297 0.000 1.050 143 V HN 0.718 nan 8.190 nan 0.000 0.475 144 D N 2.954 123.493 120.400 0.231 0.000 2.455 144 D HA 0.238 4.892 4.640 0.025 0.000 0.241 144 D C -1.722 174.660 176.300 0.136 0.000 1.138 144 D CA -0.982 53.106 54.000 0.148 0.000 0.877 144 D CB 1.498 42.336 40.800 0.064 0.000 1.187 144 D HN 0.471 nan 8.370 nan 0.000 0.451 145 P HA -0.069 nan 4.420 nan 0.000 0.222 145 P C 0.406 177.594 177.300 -0.186 0.000 1.147 145 P CA 0.938 63.882 63.100 -0.260 0.000 0.790 145 P CB 0.324 31.690 31.700 -0.556 0.000 0.780 146 E N -1.292 118.773 120.200 -0.225 0.000 2.110 146 E HA -0.047 4.318 4.350 0.025 0.000 0.193 146 E C 1.956 178.260 176.600 -0.492 0.000 0.950 146 E CA 1.368 57.591 56.400 -0.294 0.000 0.840 146 E CB -0.662 28.944 29.700 -0.158 0.000 0.809 146 E HN 0.195 nan 8.360 nan 0.000 0.465 147 T N -2.660 111.709 114.554 -0.308 0.000 3.067 147 T HA -0.053 4.312 4.350 0.025 0.000 0.261 147 T C 0.184 174.779 174.700 -0.175 0.000 1.110 147 T CA 0.896 62.868 62.100 -0.213 0.000 1.113 147 T CB -0.419 68.420 68.868 -0.049 0.000 0.917 147 T HN 0.367 nan 8.240 nan 0.000 0.499 148 H N -0.752 118.375 119.070 0.095 0.000 3.010 148 H HA -0.104 4.467 4.556 0.025 0.000 0.272 148 H C -0.387 175.079 175.328 0.229 0.000 1.151 148 H CA 0.164 56.293 56.048 0.135 0.000 1.159 148 H CB -2.470 27.345 29.762 0.088 0.000 1.295 148 H HN 0.353 nan 8.280 nan 0.000 0.344 149 V N 1.308 121.387 119.914 0.275 0.000 2.567 149 V HA 0.135 4.270 4.120 0.025 0.000 0.289 149 V C 1.360 177.613 176.094 0.265 0.000 1.049 149 V CA -0.537 61.974 62.300 0.352 0.000 0.969 149 V CB 1.413 33.382 31.823 0.244 0.000 0.995 149 V HN 0.209 nan 8.190 nan 0.000 0.471 150 I N 3.483 124.168 120.570 0.192 0.000 2.906 150 I HA -0.086 4.099 4.170 0.025 0.000 0.301 150 I C 0.716 176.691 176.117 -0.237 0.000 1.221 150 I CA 0.662 61.873 61.300 -0.149 0.000 1.435 150 I CB 0.056 37.751 38.000 -0.508 0.000 1.345 150 I HN 0.647 nan 8.210 nan 0.000 0.558 151 D N 6.965 127.280 120.400 -0.140 0.000 2.422 151 D HA 0.045 4.700 4.640 0.025 0.000 0.227 151 D C 0.603 176.755 176.300 -0.247 0.000 1.190 151 D CA -0.050 53.899 54.000 -0.084 0.000 0.905 151 D CB 0.443 41.265 40.800 0.037 0.000 1.034 151 D HN 0.335 nan 8.370 nan 0.000 0.507 152 Y N 1.605 121.830 120.300 -0.124 0.000 2.352 152 Y HA -0.133 4.432 4.550 0.025 0.000 0.292 152 Y C 2.024 177.813 175.900 -0.186 0.000 1.136 152 Y CA 0.725 58.675 58.100 -0.251 0.000 1.227 152 Y CB 0.192 38.496 38.460 -0.261 0.000 0.991 152 Y HN 0.389 nan 8.280 nan 0.000 0.545 153 D N -0.143 120.266 120.400 0.016 0.000 2.178 153 D HA -0.176 4.478 4.640 0.025 0.000 0.202 153 D C 1.577 177.868 176.300 -0.015 0.000 0.974 153 D CA 1.522 55.521 54.000 -0.002 0.000 0.841 153 D CB -0.260 40.548 40.800 0.014 0.000 0.953 153 D HN 0.413 nan 8.370 nan 0.000 0.478 154 D N 0.272 120.664 120.400 -0.014 0.000 2.117 154 D HA -0.112 4.543 4.640 0.025 0.000 0.198 154 D C 2.128 178.429 176.300 0.000 0.000 0.982 154 D CA 0.506 54.517 54.000 0.019 0.000 0.828 154 D CB 0.184 41.024 40.800 0.067 0.000 0.967 154 D HN -0.097 nan 8.370 nan 0.000 0.464 155 V N 0.548 120.380 119.914 -0.136 0.000 2.282 155 V HA -0.261 3.874 4.120 0.025 0.000 0.249 155 V C 2.621 178.645 176.094 -0.117 0.000 1.057 155 V CA 2.140 64.285 62.300 -0.258 0.000 1.032 155 V CB -0.645 30.752 31.823 -0.711 0.000 0.645 155 V HN 0.224 nan 8.190 nan 0.000 0.447 156 R N -0.056 120.382 120.500 -0.104 0.000 2.073 156 R HA -0.224 4.131 4.340 0.025 0.000 0.234 156 R C 2.461 178.754 176.300 -0.011 0.000 1.134 156 R CA 2.128 58.198 56.100 -0.051 0.000 0.952 156 R CB -0.319 29.955 30.300 -0.045 0.000 0.850 156 R HN 0.689 nan 8.270 nan 0.000 0.433 157 E N 0.157 120.357 120.200 -0.001 0.000 2.051 157 E HA -0.203 4.162 4.350 0.025 0.000 0.192 157 E C 1.595 178.212 176.600 0.029 0.000 0.991 157 E CA 1.117 57.523 56.400 0.009 0.000 0.799 157 E CB 0.178 29.887 29.700 0.014 0.000 0.748 157 E HN 0.159 nan 8.360 nan 0.000 0.449 158 K N 0.341 120.792 120.400 0.085 0.000 2.063 158 K HA -0.138 4.197 4.320 0.025 0.000 0.208 158 K C 2.108 178.819 176.600 0.184 0.000 1.048 158 K CA 1.146 57.551 56.287 0.197 0.000 0.928 158 K CB -0.538 32.105 32.500 0.240 0.000 0.713 158 K HN 0.203 nan 8.250 nan 0.000 0.442 159 A N 1.709 124.593 122.820 0.107 0.000 1.877 159 A HA -0.183 4.152 4.320 0.025 0.000 0.216 159 A C 2.256 179.866 177.584 0.044 0.000 1.186 159 A CA 1.512 53.597 52.037 0.080 0.000 0.620 159 A CB -0.410 18.620 19.000 0.049 0.000 0.822 159 A HN 0.277 nan 8.150 nan 0.000 0.443 160 R N -1.295 119.213 120.500 0.013 0.000 2.092 160 R HA -0.039 4.315 4.340 0.025 0.000 0.231 160 R C 2.113 178.386 176.300 -0.044 0.000 1.119 160 R CA 1.265 57.357 56.100 -0.012 0.000 0.970 160 R CB -0.452 29.838 30.300 -0.017 0.000 0.864 160 R HN 0.501 nan 8.270 nan 0.000 0.440 161 L N 0.099 121.269 121.223 -0.089 0.000 2.023 161 L HA -0.117 4.238 4.340 0.025 0.000 0.205 161 L C 1.831 178.542 176.870 -0.266 0.000 1.073 161 L CA 1.907 56.613 54.840 -0.224 0.000 0.745 161 L CB -0.363 41.472 42.059 -0.372 0.000 0.900 161 L HN 0.188 nan 8.230 nan 0.000 0.435 162 H N 0.132 119.201 119.070 -0.001 0.000 2.562 162 H HA 0.230 4.801 4.556 0.025 0.000 0.267 162 H C 0.050 175.367 175.328 -0.017 0.000 0.959 162 H CA 0.177 56.219 56.048 -0.009 0.000 1.204 162 H CB 0.238 29.994 29.762 -0.009 0.000 1.430 162 H HN 0.184 nan 8.280 nan 0.000 0.545 163 R N 0.475 121.019 120.500 0.074 0.000 3.188 163 R HA -0.104 4.251 4.340 0.025 0.000 0.247 163 R C -2.583 173.733 176.300 0.026 0.000 0.918 163 R CA 0.043 56.164 56.100 0.035 0.000 0.629 163 R CB -2.366 27.941 30.300 0.013 0.000 1.087 163 R HN 0.440 nan 8.270 nan 0.000 0.462 164 P HA 0.073 nan 4.420 nan 0.000 0.272 164 P C 0.604 177.893 177.300 -0.019 0.000 1.223 164 P CA -0.252 62.834 63.100 -0.023 0.000 0.784 164 P CB 0.855 32.536 31.700 -0.031 0.000 0.923 165 K N 0.533 120.909 120.400 -0.041 0.000 2.305 165 K HA 0.025 4.360 4.320 0.025 0.000 0.199 165 K C 0.242 176.887 176.600 0.074 0.000 1.047 165 K CA 0.466 56.760 56.287 0.011 0.000 0.976 165 K CB 0.018 32.520 32.500 0.002 0.000 0.765 165 K HN 0.315 nan 8.250 nan 0.000 0.474 166 L N 0.934 122.154 121.223 -0.004 0.000 2.455 166 L HA 0.453 4.808 4.340 0.025 0.000 0.264 166 L C -1.565 175.314 176.870 0.015 0.000 0.968 166 L CA -0.595 54.269 54.840 0.041 0.000 0.827 166 L CB 1.891 43.919 42.059 -0.053 0.000 1.317 166 L HN -0.088 nan 8.230 nan 0.000 0.407 167 I N 4.920 125.559 120.570 0.115 0.000 2.404 167 I HA 0.533 4.718 4.170 0.025 0.000 0.293 167 I C -0.757 175.451 176.117 0.152 0.000 0.992 167 I CA -1.017 60.376 61.300 0.155 0.000 1.149 167 I CB 1.978 40.117 38.000 0.233 0.000 1.315 167 I HN 0.262 nan 8.210 nan 0.000 0.446 168 V N 5.340 125.340 119.914 0.144 0.000 2.417 168 V HA 0.727 4.862 4.120 0.025 0.000 0.291 168 V C 0.190 176.274 176.094 -0.017 0.000 1.024 168 V CA -0.418 61.905 62.300 0.037 0.000 0.861 168 V CB 1.445 33.257 31.823 -0.019 0.000 0.985 168 V HN 0.856 nan 8.190 nan 0.000 0.436 169 A N 3.993 126.681 122.820 -0.219 0.000 2.380 169 A HA 1.068 5.403 4.320 0.025 0.000 0.315 169 A C -0.030 177.462 177.584 -0.154 0.000 1.101 169 A CA -0.025 51.759 52.037 -0.422 0.000 0.771 169 A CB 1.659 19.946 19.000 -1.189 0.000 1.287 169 A HN 2.501 nan 8.150 nan 0.000 0.436 170 A N -1.035 121.767 122.820 -0.030 0.000 2.435 170 A HA 0.568 4.903 4.320 0.025 0.000 0.686 170 A C -0.317 177.383 177.584 0.194 0.000 0.138 170 A CA -0.026 52.084 52.037 0.122 0.000 0.025 170 A CB -1.488 17.588 19.000 0.126 0.000 3.974 170 A HN 2.973 nan 8.150 nan 0.000 0.548 171 A N -0.602 122.351 122.820 0.221 0.000 2.612 171 A HA 0.948 5.283 4.320 0.025 0.000 0.293 171 A C 0.621 178.263 177.584 0.097 0.000 1.075 171 A CA 0.713 52.861 52.037 0.185 0.000 0.680 171 A CB 0.585 19.685 19.000 0.168 0.000 1.279 171 A HN 2.461 nan 8.150 nan 0.000 0.411 172 S N -0.591 115.118 115.700 0.014 0.000 2.511 172 S HA 0.481 4.966 4.470 0.025 0.000 0.214 172 S C 0.726 175.104 174.600 -0.371 0.000 0.997 172 S CA 0.778 58.865 58.200 -0.187 0.000 0.908 172 S CB 0.511 63.756 63.200 0.074 0.000 0.803 172 S HN 2.125 nan 8.310 nan 0.000 0.504 173 A N 0.489 123.227 122.820 -0.136 0.000 3.106 173 A HA 0.531 4.866 4.320 0.025 0.000 0.227 173 A C -0.923 176.686 177.584 0.043 0.000 0.920 173 A CA -0.421 51.555 52.037 -0.101 0.000 1.088 173 A CB -0.007 18.951 19.000 -0.070 0.000 1.233 173 A HN 0.425 nan 8.150 nan 0.000 0.503 174 Y N 1.855 122.109 120.300 -0.076 0.000 2.345 174 Y HA 0.540 5.104 4.550 0.024 0.000 0.331 174 Y C -2.210 173.693 175.900 0.005 0.000 0.959 174 Y CA -2.346 55.755 58.100 0.001 0.000 1.204 174 Y CB 2.169 40.670 38.460 0.068 0.000 1.135 174 Y HN 0.254 nan 8.280 nan 0.000 0.477 175 P HA 0.102 nan 4.420 nan 0.000 0.249 175 P C -0.224 176.870 177.300 -0.343 0.000 1.229 175 P CA 0.573 63.495 63.100 -0.297 0.000 0.788 175 P CB 0.519 32.091 31.700 -0.212 0.000 1.072 176 R N -0.154 119.938 120.500 -0.679 0.000 2.892 176 R HA 0.486 4.840 4.340 0.025 0.000 0.265 176 R C 0.374 176.623 176.300 -0.084 0.000 1.025 176 R CA -1.498 54.368 56.100 -0.389 0.000 0.982 176 R CB 0.721 30.776 30.300 -0.409 0.000 1.185 176 R HN 0.000 nan 8.270 nan 0.000 0.484 177 I N 2.106 122.692 120.570 0.027 0.000 2.710 177 I HA -0.008 4.177 4.170 0.025 0.000 0.286 177 I C 0.557 176.785 176.117 0.186 0.000 1.181 177 I CA 0.530 61.855 61.300 0.040 0.000 1.430 177 I CB 0.291 38.157 38.000 -0.222 0.000 1.367 177 I HN 0.240 nan 8.210 nan 0.000 0.577 178 I N 5.673 126.355 120.570 0.186 0.000 2.365 178 I HA 0.092 4.277 4.170 0.025 0.000 0.291 178 I C 0.225 176.091 176.117 -0.419 0.000 1.004 178 I CA -0.286 61.027 61.300 0.023 0.000 1.311 178 I CB 0.888 38.839 38.000 -0.082 0.000 1.401 178 I HN 0.491 nan 8.210 nan 0.000 0.491 179 D N 6.566 126.915 120.400 -0.086 0.000 2.453 179 D HA 0.129 4.784 4.640 0.025 0.000 0.223 179 D C 0.748 176.983 176.300 -0.110 0.000 1.183 179 D CA -0.034 53.809 54.000 -0.261 0.000 0.933 179 D CB 0.292 40.812 40.800 -0.467 0.000 1.038 179 D HN 0.350 nan 8.370 nan 0.000 0.513 180 F N 1.736 121.687 119.950 0.001 0.000 2.293 180 F HA -0.088 4.454 4.527 0.025 0.000 0.300 180 F C 2.493 178.101 175.800 -0.319 0.000 1.086 180 F CA 0.501 58.474 58.000 -0.045 0.000 1.375 180 F CB -0.028 38.939 39.000 -0.056 0.000 1.045 180 F HN 0.430 nan 8.300 nan 0.000 0.516 181 A N 0.525 123.005 122.820 -0.566 0.000 1.902 181 A HA -0.185 4.150 4.320 0.025 0.000 0.217 181 A C 2.212 179.702 177.584 -0.156 0.000 1.181 181 A CA 1.492 53.209 52.037 -0.533 0.000 0.623 181 A CB -0.490 18.233 19.000 -0.462 0.000 0.818 181 A HN 0.284 nan 8.150 nan 0.000 0.443 182 K N -1.540 118.744 120.400 -0.193 0.000 2.057 182 K HA -0.055 4.280 4.320 0.025 0.000 0.206 182 K C 1.674 178.220 176.600 -0.089 0.000 1.050 182 K CA 1.322 57.483 56.287 -0.210 0.000 0.935 182 K CB -0.329 31.861 32.500 -0.516 0.000 0.715 182 K HN 0.456 nan 8.250 nan 0.000 0.439 183 F N 1.316 121.288 119.950 0.037 0.000 2.095 183 F HA -0.222 4.320 4.527 0.026 0.000 0.298 183 F C 2.635 178.484 175.800 0.080 0.000 1.104 183 F CA 1.396 59.447 58.000 0.086 0.000 1.232 183 F CB -0.210 38.883 39.000 0.156 0.000 0.987 183 F HN -0.054 nan 8.300 nan 0.000 0.475 184 R N 0.869 121.528 120.500 0.264 0.000 2.075 184 R HA -0.152 4.203 4.340 0.025 0.000 0.232 184 R C 2.044 178.425 176.300 0.134 0.000 1.126 184 R CA 1.761 57.985 56.100 0.208 0.000 0.963 184 R CB -0.809 29.635 30.300 0.241 0.000 0.858 184 R HN 0.411 nan 8.270 nan 0.000 0.435 185 E N -0.211 120.039 120.200 0.083 0.000 2.085 185 E HA -0.195 4.170 4.350 0.025 0.000 0.194 185 E C 1.881 178.498 176.600 0.029 0.000 0.994 185 E CA 1.766 58.191 56.400 0.040 0.000 0.801 185 E CB -0.148 29.550 29.700 -0.003 0.000 0.743 185 E HN 0.420 nan 8.360 nan 0.000 0.453 186 I N 0.809 121.389 120.570 0.016 0.000 2.202 186 I HA -0.259 3.926 4.170 0.025 0.000 0.242 186 I C 2.615 178.761 176.117 0.047 0.000 1.091 186 I CA 0.992 62.296 61.300 0.006 0.000 1.368 186 I CB -0.384 37.584 38.000 -0.052 0.000 1.058 186 I HN 0.168 nan 8.210 nan 0.000 0.410 187 A N 0.715 123.595 122.820 0.099 0.000 1.892 187 A HA -0.298 4.037 4.320 0.025 0.000 0.218 187 A C 1.968 179.601 177.584 0.080 0.000 1.188 187 A CA 2.433 54.542 52.037 0.119 0.000 0.631 187 A CB -0.779 18.339 19.000 0.197 0.000 0.822 187 A HN 0.373 nan 8.150 nan 0.000 0.447 188 D N -0.899 119.551 120.400 0.083 0.000 2.149 188 D HA -0.158 4.497 4.640 0.025 0.000 0.198 188 D C 1.890 178.207 176.300 0.028 0.000 0.990 188 D CA 1.470 55.504 54.000 0.057 0.000 0.839 188 D CB -0.385 40.451 40.800 0.060 0.000 0.948 188 D HN 0.757 nan 8.370 nan 0.000 0.460 189 E N 0.342 120.556 120.200 0.024 0.000 2.110 189 E HA -0.144 4.220 4.350 0.025 0.000 0.193 189 E C 1.725 178.328 176.600 0.004 0.000 0.988 189 E CA 1.192 57.597 56.400 0.010 0.000 0.804 189 E CB 0.276 29.979 29.700 0.004 0.000 0.745 189 E HN 0.237 nan 8.360 nan 0.000 0.458 190 V N -3.250 116.669 119.914 0.008 0.000 3.621 190 V HA 0.431 4.566 4.120 0.025 0.000 0.285 190 V C 1.010 177.098 176.094 -0.011 0.000 1.346 190 V CA 0.384 62.685 62.300 0.002 0.000 1.104 190 V CB 0.020 31.850 31.823 0.012 0.000 0.913 190 V HN 0.273 nan 8.190 nan 0.000 0.432 191 G N 0.476 109.265 108.800 -0.020 0.000 2.273 191 G HA2 -0.035 3.940 3.960 0.025 0.000 0.280 191 G HA3 -0.035 3.940 3.960 0.025 0.000 0.280 191 G C 0.241 175.077 174.900 -0.106 0.000 1.047 191 G CA 0.436 45.499 45.100 -0.062 0.000 0.869 191 G HN 1.675 nan 8.290 nan 0.000 0.502 192 A N -0.669 122.116 122.820 -0.058 0.000 2.295 192 A HA 0.811 5.146 4.320 0.025 0.000 0.318 192 A C 0.074 177.615 177.584 -0.070 0.000 1.134 192 A CA -0.764 51.246 52.037 -0.045 0.000 0.827 192 A CB 0.783 19.810 19.000 0.045 0.000 1.136 192 A HN 0.532 nan 8.150 nan 0.000 0.493 193 Y N 0.083 120.368 120.300 -0.025 0.000 2.379 193 Y HA 0.340 4.905 4.550 0.026 0.000 0.337 193 Y C 0.316 176.333 175.900 0.195 0.000 1.238 193 Y CA 0.387 58.454 58.100 -0.055 0.000 1.405 193 Y CB 0.682 39.110 38.460 -0.053 0.000 1.310 193 Y HN 0.546 nan 8.280 nan 0.000 0.569 194 L N 4.974 126.563 121.223 0.610 0.000 2.305 194 L HA 0.491 4.846 4.340 0.025 0.000 0.284 194 L C -0.785 176.288 176.870 0.338 0.000 1.013 194 L CA -0.778 54.294 54.840 0.386 0.000 0.819 194 L CB 1.038 43.274 42.059 0.295 0.000 1.227 194 L HN 0.721 nan 8.230 nan 0.000 0.417 195 M N 5.720 125.462 119.600 0.237 0.000 2.268 195 M HA 0.580 5.075 4.480 0.025 0.000 0.344 195 M C -1.668 174.645 176.300 0.021 0.000 1.106 195 M CA -0.624 54.777 55.300 0.169 0.000 1.010 195 M CB 1.501 34.185 32.600 0.141 0.000 1.649 195 M HN 0.415 nan 8.290 nan 0.000 0.443 196 V N 4.402 124.288 119.914 -0.046 0.000 2.384 196 V HA 0.255 4.390 4.120 0.025 0.000 0.287 196 V C -0.603 175.424 176.094 -0.110 0.000 1.020 196 V CA -0.603 61.614 62.300 -0.138 0.000 0.850 196 V CB 1.524 33.139 31.823 -0.346 0.000 0.987 196 V HN 0.763 nan 8.190 nan 0.000 0.436 197 D N 5.780 126.142 120.400 -0.063 0.000 2.468 197 D HA 0.223 4.878 4.640 0.025 0.000 0.218 197 D C 0.828 177.131 176.300 0.005 0.000 1.155 197 D CA -0.456 53.540 54.000 -0.007 0.000 0.924 197 D CB 1.095 41.973 40.800 0.129 0.000 1.029 197 D HN 0.611 nan 8.370 nan 0.000 0.515 198 M N 1.679 121.235 119.600 -0.074 0.000 2.530 198 M HA 0.343 4.838 4.480 0.025 0.000 0.231 198 M C 1.412 177.673 176.300 -0.066 0.000 1.180 198 M CA -0.322 54.937 55.300 -0.068 0.000 0.985 198 M CB 0.590 33.095 32.600 -0.158 0.000 1.623 198 M HN 0.135 nan 8.290 nan 0.000 0.475 199 A N 1.279 124.059 122.820 -0.066 0.000 1.896 199 A HA -0.252 4.083 4.320 0.025 0.000 0.220 199 A C 2.107 179.605 177.584 -0.144 0.000 1.206 199 A CA 2.214 54.169 52.037 -0.136 0.000 0.647 199 A CB -1.415 17.483 19.000 -0.169 0.000 0.828 199 A HN 0.760 nan 8.150 nan 0.000 0.455 200 H N -0.530 118.497 119.070 -0.072 0.000 2.389 200 H HA -0.040 4.532 4.556 0.027 0.000 0.299 200 H C 1.886 177.080 175.328 -0.224 0.000 1.081 200 H CA 1.804 57.820 56.048 -0.053 0.000 1.345 200 H CB -0.021 29.832 29.762 0.151 0.000 1.393 200 H HN 0.734 nan 8.280 nan 0.000 0.520 201 I N -2.730 117.821 120.570 -0.031 0.000 3.976 201 I HA 0.349 4.533 4.170 0.025 0.000 0.337 201 I C 2.205 178.305 176.117 -0.028 0.000 1.359 201 I CA 0.198 61.443 61.300 -0.091 0.000 1.098 201 I CB 0.201 38.118 38.000 -0.138 0.000 1.027 201 I HN -0.093 nan 8.210 nan 0.000 0.394 202 A N 2.238 125.049 122.820 -0.016 0.000 1.908 202 A HA -0.077 4.258 4.320 0.025 0.000 0.218 202 A C 2.349 180.102 177.584 0.283 0.000 1.181 202 A CA 2.081 54.172 52.037 0.090 0.000 0.627 202 A CB -1.435 17.562 19.000 -0.005 0.000 0.818 202 A HN 0.540 nan 8.150 nan 0.000 0.445 203 G N -0.276 108.663 108.800 0.231 0.000 2.422 203 G HA2 -0.132 3.843 3.960 0.025 0.000 0.218 203 G HA3 -0.132 3.843 3.960 0.025 0.000 0.218 203 G C 1.532 176.631 174.900 0.332 0.000 1.146 203 G CA 1.001 46.343 45.100 0.404 0.000 0.769 203 G HN 0.453 nan 8.290 nan 0.000 0.547 204 L N 0.263 121.588 121.223 0.171 0.000 2.056 204 L HA -0.071 4.283 4.340 0.025 0.000 0.207 204 L C 2.965 179.969 176.870 0.223 0.000 1.078 204 L CA 0.442 55.372 54.840 0.151 0.000 0.749 204 L CB -0.742 41.397 42.059 0.132 0.000 0.901 204 L HN 0.066 nan 8.230 nan 0.000 0.433 205 V N 0.577 120.649 119.914 0.263 0.000 2.287 205 V HA -0.320 3.815 4.120 0.025 0.000 0.248 205 V C 2.841 179.086 176.094 0.253 0.000 1.053 205 V CA 1.956 64.446 62.300 0.318 0.000 1.027 205 V CB -0.945 31.095 31.823 0.361 0.000 0.646 205 V HN 0.497 nan 8.190 nan 0.000 0.447 206 A N -0.272 122.677 122.820 0.214 0.000 1.978 206 A HA -0.047 4.288 4.320 0.025 0.000 0.220 206 A C 2.157 179.768 177.584 0.046 0.000 1.170 206 A CA 1.927 53.902 52.037 -0.104 0.000 0.636 206 A CB -0.517 18.335 19.000 -0.246 0.000 0.810 206 A HN 0.634 nan 8.150 nan 0.000 0.448 207 A N -1.856 121.073 122.820 0.182 0.000 2.275 207 A HA 0.443 4.778 4.320 0.025 0.000 0.212 207 A C 1.644 179.291 177.584 0.105 0.000 1.201 207 A CA 1.020 53.155 52.037 0.163 0.000 0.843 207 A CB -0.900 18.191 19.000 0.152 0.000 0.873 207 A HN 1.855 nan 8.150 nan 0.000 0.492 208 G N -0.817 108.051 108.800 0.114 0.000 2.179 208 G HA2 -0.252 3.723 3.960 0.025 0.000 0.257 208 G HA3 -0.252 3.723 3.960 0.025 0.000 0.257 208 G C 0.539 175.504 174.900 0.108 0.000 1.010 208 G CA 0.629 45.794 45.100 0.108 0.000 0.736 208 G HN 0.528 nan 8.290 nan 0.000 0.513 209 L N -0.588 120.713 121.223 0.130 0.000 2.616 209 L HA 0.365 4.720 4.340 0.025 0.000 0.229 209 L C 0.981 177.953 176.870 0.169 0.000 1.110 209 L CA -0.143 54.765 54.840 0.113 0.000 0.884 209 L CB 0.276 42.382 42.059 0.077 0.000 1.115 209 L HN 0.419 nan 8.230 nan 0.000 0.481 210 H N 0.317 119.463 119.070 0.126 0.000 2.806 210 H HA 0.364 4.935 4.556 0.026 0.000 0.367 210 H C -2.667 172.784 175.328 0.204 0.000 1.136 210 H CA -1.959 54.184 56.048 0.158 0.000 1.178 210 H CB 2.671 32.550 29.762 0.194 0.000 1.718 210 H HN -0.256 nan 8.280 nan 0.000 0.540 211 P HA -0.062 nan 4.420 nan 0.000 0.265 211 P C -0.214 177.453 177.300 0.612 0.000 1.187 211 P CA 0.144 63.434 63.100 0.317 0.000 0.766 211 P CB 0.485 32.287 31.700 0.170 0.000 0.820 212 N N 4.151 123.118 118.700 0.444 0.000 2.430 212 N HA 0.091 4.845 4.740 0.025 0.000 0.265 212 N C -1.487 174.198 175.510 0.293 0.000 1.100 212 N CA -2.230 51.026 53.050 0.343 0.000 0.961 212 N CB 0.439 39.068 38.487 0.236 0.000 1.075 212 N HN 0.219 nan 8.380 nan 0.000 0.478 213 P HA -0.074 nan 4.420 nan 0.000 0.225 213 P C 1.359 178.574 177.300 -0.142 0.000 1.156 213 P CA 0.401 63.203 63.100 -0.496 0.000 0.787 213 P CB 0.509 31.501 31.700 -1.179 0.000 0.802 214 V N 2.094 121.954 119.914 -0.090 0.000 2.278 214 V HA -0.179 3.955 4.120 0.025 0.000 0.251 214 V C -0.215 175.815 176.094 -0.106 0.000 1.062 214 V CA 2.757 65.008 62.300 -0.082 0.000 1.038 214 V CB -2.587 29.220 31.823 -0.027 0.000 0.646 214 V HN 0.213 nan 8.190 nan 0.000 0.447 215 P HA -0.104 nan 4.420 nan 0.000 0.225 215 P C 0.927 177.968 177.300 -0.432 0.000 1.148 215 P CA 1.455 64.354 63.100 -0.336 0.000 0.779 215 P CB -0.081 31.318 31.700 -0.502 0.000 0.780 216 Y N -1.038 119.234 120.300 -0.046 0.000 2.507 216 Y HA 0.423 4.988 4.550 0.024 0.000 0.263 216 Y C 1.391 177.220 175.900 -0.119 0.000 1.093 216 Y CA -0.276 57.802 58.100 -0.036 0.000 1.285 216 Y CB -0.359 38.152 38.460 0.084 0.000 1.115 216 Y HN -0.193 nan 8.280 nan 0.000 0.533 217 A N -0.545 122.258 122.820 -0.028 0.000 2.312 217 A HA 0.383 4.718 4.320 0.025 0.000 0.326 217 A C -0.066 177.388 177.584 -0.217 0.000 1.172 217 A CA -0.443 51.537 52.037 -0.096 0.000 0.821 217 A CB 0.305 19.256 19.000 -0.081 0.000 1.166 217 A HN 0.456 nan 8.150 nan 0.000 0.493 218 H N 0.950 119.951 119.070 -0.114 0.000 2.357 218 H HA 0.084 4.654 4.556 0.025 0.000 0.301 218 H C -0.625 174.199 175.328 -0.841 0.000 1.082 218 H CA 2.137 57.920 56.048 -0.440 0.000 1.342 218 H CB -0.061 29.296 29.762 -0.675 0.000 1.389 218 H HN 0.580 nan 8.280 nan 0.000 0.511 219 F N -0.540 119.429 119.950 0.030 0.000 2.556 219 F HA 0.490 5.032 4.527 0.024 0.000 0.314 219 F C -0.832 174.919 175.800 -0.082 0.000 1.106 219 F CA -1.209 56.763 58.000 -0.046 0.000 0.911 219 F CB 1.924 40.854 39.000 -0.116 0.000 1.190 219 F HN -0.338 nan 8.300 nan 0.000 0.448 220 V N 1.725 121.671 119.914 0.054 0.000 2.444 220 V HA 0.569 4.704 4.120 0.025 0.000 0.294 220 V C -0.229 175.814 176.094 -0.086 0.000 1.022 220 V CA -0.710 61.542 62.300 -0.079 0.000 0.850 220 V CB 1.924 33.633 31.823 -0.190 0.000 0.992 220 V HN 0.903 nan 8.190 nan 0.000 0.426 221 T N 0.896 115.394 114.554 -0.094 0.000 2.952 221 T HA 0.842 5.207 4.350 0.025 0.000 0.286 221 T C -0.286 174.331 174.700 -0.139 0.000 1.024 221 T CA -0.641 61.399 62.100 -0.101 0.000 1.029 221 T CB 2.143 70.963 68.868 -0.080 0.000 1.094 221 T HN 0.749 nan 8.240 nan 0.000 0.515 222 T N 0.409 114.881 114.554 -0.135 0.000 2.827 222 T HA 0.560 4.925 4.350 0.025 0.000 0.328 222 T C -0.656 173.963 174.700 -0.136 0.000 1.598 222 T CA -0.378 61.627 62.100 -0.158 0.000 1.043 222 T CB 1.285 70.016 68.868 -0.228 0.000 1.447 222 T HN 1.195 nan 8.240 nan 0.000 0.491 223 T N 0.230 114.660 114.554 -0.206 0.000 2.899 223 T HA 0.433 4.798 4.350 0.025 0.000 0.284 223 T C 1.506 176.097 174.700 -0.183 0.000 1.004 223 T CA 0.210 62.140 62.100 -0.283 0.000 1.043 223 T CB 1.000 69.405 68.868 -0.771 0.000 1.013 223 T HN 0.780 nan 8.240 nan 0.000 0.518 224 T N -2.266 112.267 114.554 -0.036 0.000 3.057 224 T HA 0.064 4.429 4.350 0.025 0.000 0.254 224 T C 1.040 175.796 174.700 0.093 0.000 1.094 224 T CA 0.008 62.173 62.100 0.108 0.000 1.088 224 T CB -0.528 68.441 68.868 0.167 0.000 0.934 224 T HN 0.895 nan 8.240 nan 0.000 0.497 225 H N 1.137 120.208 119.070 0.002 0.000 2.437 225 H HA 0.601 5.173 4.556 0.027 0.000 0.338 225 H C 0.420 175.720 175.328 -0.046 0.000 1.495 225 H CA -0.473 55.561 56.048 -0.022 0.000 1.453 225 H CB 0.632 30.366 29.762 -0.046 0.000 1.707 225 H HN 0.138 nan 8.280 nan 0.000 0.655 226 K N -1.939 118.451 120.400 -0.017 0.000 6.434 226 K HA -0.219 4.116 4.320 0.025 0.000 0.338 226 K C 1.464 178.043 176.600 -0.035 0.000 1.684 226 K CA 1.090 57.301 56.287 -0.127 0.000 0.888 226 K CB -1.813 30.477 32.500 -0.350 0.000 0.989 226 K HN 0.813 nan 8.250 nan 0.000 0.457 227 T N 0.027 114.532 114.554 -0.082 0.000 2.962 227 T HA -0.084 4.281 4.350 0.025 0.000 0.270 227 T C 1.697 176.560 174.700 0.271 0.000 1.088 227 T CA 1.583 63.703 62.100 0.033 0.000 1.127 227 T CB -0.039 68.746 68.868 -0.139 0.000 0.883 227 T HN 0.328 nan 8.240 nan 0.000 0.493 228 L N 1.120 122.467 121.223 0.206 0.000 2.376 228 L HA 0.337 4.692 4.340 0.025 0.000 0.219 228 L C 1.622 178.641 176.870 0.248 0.000 1.133 228 L CA 1.023 56.022 54.840 0.265 0.000 0.816 228 L CB -1.111 41.063 42.059 0.192 0.000 0.933 228 L HN 0.461 nan 8.230 nan 0.000 0.449 229 R N -1.154 119.476 120.500 0.217 0.000 3.531 229 R HA -0.148 4.206 4.340 0.025 0.000 0.280 229 R C 0.436 176.796 176.300 0.099 0.000 1.130 229 R CA 0.420 56.622 56.100 0.171 0.000 0.757 229 R CB -1.747 28.700 30.300 0.246 0.000 1.218 229 R HN 0.553 nan 8.270 nan 0.000 0.454 230 G N 0.145 109.000 108.800 0.092 0.000 2.753 230 G HA2 0.686 4.661 3.960 0.025 0.000 0.285 230 G HA3 0.686 4.661 3.960 0.025 0.000 0.285 230 G C -2.563 172.360 174.900 0.040 0.000 1.344 230 G CA -0.977 44.146 45.100 0.037 0.000 1.050 230 G HN 0.129 nan 8.290 nan 0.000 0.532 231 P HA 0.166 nan 4.420 nan 0.000 0.272 231 P C -0.524 176.791 177.300 0.024 0.000 1.240 231 P CA -0.481 62.605 63.100 -0.023 0.000 0.791 231 P CB 1.024 32.678 31.700 -0.076 0.000 0.978 232 R N 0.373 120.835 120.500 -0.064 0.000 2.370 232 R HA 0.488 4.843 4.340 0.025 0.000 0.309 232 R C 0.381 176.682 176.300 0.001 0.000 1.059 232 R CA 0.732 56.732 56.100 -0.167 0.000 0.981 232 R CB -0.561 29.526 30.300 -0.355 0.000 0.972 232 R HN 0.859 nan 8.270 nan 0.000 0.437 233 G N 1.341 110.265 108.800 0.207 0.000 2.315 233 G HA2 0.383 4.358 3.960 0.025 0.000 0.294 233 G HA3 0.383 4.358 3.960 0.025 0.000 0.294 233 G C -1.298 173.694 174.900 0.153 0.000 1.300 233 G CA -0.437 44.746 45.100 0.137 0.000 0.843 233 G HN 0.790 nan 8.290 nan 0.000 0.527 234 G N -1.347 107.505 108.800 0.086 0.000 2.685 234 G HA2 0.829 4.803 3.960 0.025 0.000 0.298 234 G HA3 0.829 4.803 3.960 0.025 0.000 0.298 234 G C -0.773 174.154 174.900 0.045 0.000 1.277 234 G CA -0.390 44.737 45.100 0.045 0.000 0.986 234 G HN 1.188 nan 8.290 nan 0.000 0.487 235 M N -0.047 119.561 119.600 0.014 0.000 2.471 235 M HA 0.614 5.109 4.480 0.025 0.000 0.284 235 M C -2.056 174.223 176.300 -0.034 0.000 1.203 235 M CA -0.657 54.652 55.300 0.016 0.000 0.915 235 M CB 2.217 34.847 32.600 0.049 0.000 1.734 235 M HN 0.400 nan 8.290 nan 0.000 0.485 236 I N 4.474 125.034 120.570 -0.017 0.000 2.474 236 I HA 0.510 4.695 4.170 0.025 0.000 0.294 236 I C -1.242 174.864 176.117 -0.019 0.000 1.005 236 I CA -0.749 60.545 61.300 -0.010 0.000 1.113 236 I CB 1.975 40.001 38.000 0.044 0.000 1.289 236 I HN 0.595 nan 8.210 nan 0.000 0.436 237 L N 5.957 127.163 121.223 -0.028 0.000 2.346 237 L HA 0.798 5.153 4.340 0.025 0.000 0.274 237 L C -0.550 176.366 176.870 0.076 0.000 1.007 237 L CA -0.620 54.209 54.840 -0.020 0.000 0.818 237 L CB 1.912 43.901 42.059 -0.116 0.000 1.284 237 L HN 0.815 nan 8.230 nan 0.000 0.424 238 C N -0.247 119.132 119.300 0.131 0.000 3.321 238 C HA 0.459 4.934 4.460 0.025 0.000 0.329 238 C C -0.697 174.385 174.990 0.154 0.000 1.394 238 C CA -1.084 58.030 59.018 0.161 0.000 1.291 238 C CB 1.626 29.555 27.740 0.314 0.000 1.606 238 C HN 0.889 nan 8.230 nan 0.000 0.463 239 Q N 0.733 120.624 119.800 0.152 0.000 2.392 239 Q HA 0.167 4.522 4.340 0.025 0.000 0.262 239 Q C 0.791 176.795 176.000 0.007 0.000 1.003 239 Q CA 0.082 55.922 55.803 0.061 0.000 0.888 239 Q CB 1.012 29.761 28.738 0.017 0.000 1.260 239 Q HN 0.789 nan 8.270 nan 0.000 0.435 240 E N 1.823 121.992 120.200 -0.051 0.000 2.171 240 E HA -0.263 4.101 4.350 0.025 0.000 0.197 240 E C 1.343 177.831 176.600 -0.186 0.000 0.997 240 E CA 1.783 58.128 56.400 -0.092 0.000 0.810 240 E CB 0.156 29.810 29.700 -0.076 0.000 0.738 240 E HN 0.551 nan 8.360 nan 0.000 0.467 241 Q N -1.240 118.368 119.800 -0.320 0.000 2.291 241 Q HA -0.081 4.274 4.340 0.025 0.000 0.206 241 Q C 1.142 176.846 176.000 -0.494 0.000 0.976 241 Q CA 1.214 56.739 55.803 -0.464 0.000 0.875 241 Q CB -0.194 28.155 28.738 -0.650 0.000 0.927 241 Q HN 0.367 nan 8.270 nan 0.000 0.450 242 F N -1.068 118.875 119.950 -0.011 0.000 2.695 242 F HA 0.442 4.983 4.527 0.024 0.000 0.303 242 F C 1.831 177.633 175.800 0.003 0.000 1.091 242 F CA -0.125 57.907 58.000 0.054 0.000 1.300 242 F CB -0.453 38.649 39.000 0.171 0.000 1.071 242 F HN 0.009 nan 8.300 nan 0.000 0.578 243 A N 0.908 123.701 122.820 -0.045 0.000 1.892 243 A HA -0.284 4.051 4.320 0.025 0.000 0.218 243 A C 2.365 179.773 177.584 -0.295 0.000 1.188 243 A CA 2.219 54.003 52.037 -0.422 0.000 0.631 243 A CB -0.662 17.828 19.000 -0.849 0.000 0.822 243 A HN 0.350 nan 8.150 nan 0.000 0.447 244 K N -0.708 119.590 120.400 -0.169 0.000 2.026 244 K HA -0.199 4.136 4.320 0.025 0.000 0.208 244 K C 2.292 178.888 176.600 -0.007 0.000 1.048 244 K CA 1.701 57.931 56.287 -0.095 0.000 0.929 244 K CB -0.216 32.250 32.500 -0.057 0.000 0.713 244 K HN 0.651 nan 8.250 nan 0.000 0.439 245 Q N 0.197 120.029 119.800 0.053 0.000 2.079 245 Q HA -0.120 4.235 4.340 0.025 0.000 0.200 245 Q C 2.120 178.187 176.000 0.110 0.000 0.974 245 Q CA 1.144 57.004 55.803 0.094 0.000 0.840 245 Q CB 0.012 28.834 28.738 0.141 0.000 0.898 245 Q HN 0.313 nan 8.270 nan 0.000 0.430 246 I N 1.358 122.012 120.570 0.140 0.000 2.179 246 I HA -0.245 3.940 4.170 0.025 0.000 0.242 246 I C 1.555 177.758 176.117 0.143 0.000 1.088 246 I CA 1.428 62.819 61.300 0.150 0.000 1.357 246 I CB -0.944 37.199 38.000 0.238 0.000 1.051 246 I HN 0.217 nan 8.210 nan 0.000 0.409 247 D N 0.991 121.437 120.400 0.077 0.000 2.117 247 D HA -0.174 4.481 4.640 0.025 0.000 0.197 247 D C 2.205 178.639 176.300 0.223 0.000 0.987 247 D CA 1.216 55.220 54.000 0.007 0.000 0.829 247 D CB -0.137 40.391 40.800 -0.452 0.000 0.961 247 D HN 0.309 nan 8.370 nan 0.000 0.460 248 K N 0.472 120.967 120.400 0.158 0.000 2.148 248 K HA -0.001 4.334 4.320 0.025 0.000 0.204 248 K C 2.072 178.785 176.600 0.189 0.000 1.050 248 K CA 0.925 57.318 56.287 0.177 0.000 0.942 248 K CB -0.007 32.562 32.500 0.115 0.000 0.724 248 K HN 0.026 nan 8.250 nan 0.000 0.446 249 A N 1.565 124.512 122.820 0.211 0.000 1.877 249 A HA -0.165 4.170 4.320 0.025 0.000 0.216 249 A C 2.055 179.723 177.584 0.140 0.000 1.186 249 A CA 1.223 53.426 52.037 0.278 0.000 0.620 249 A CB -0.395 18.758 19.000 0.255 0.000 0.822 249 A HN 0.095 nan 8.150 nan 0.000 0.443 250 I N -2.689 117.984 120.570 0.172 0.000 2.202 250 I HA 0.012 4.197 4.170 0.025 0.000 0.242 250 I C 0.532 176.780 176.117 0.219 0.000 1.091 250 I CA 1.326 62.718 61.300 0.154 0.000 1.368 250 I CB -0.562 37.567 38.000 0.215 0.000 1.058 250 I HN 0.351 nan 8.210 nan 0.000 0.410 251 F N 2.385 122.435 119.950 0.166 0.000 2.630 251 F HA 0.399 4.943 4.527 0.028 0.000 0.325 251 F C -2.314 173.608 175.800 0.204 0.000 1.184 251 F CA -1.765 56.313 58.000 0.130 0.000 1.011 251 F CB 1.838 40.877 39.000 0.066 0.000 1.268 251 F HN -0.248 nan 8.300 nan 0.000 0.480 252 P HA 0.188 nan 4.420 nan 0.000 0.257 252 P C 0.977 178.074 177.300 -0.339 0.000 1.325 252 P CA 0.535 63.023 63.100 -1.021 0.000 0.850 252 P CB 0.424 31.534 31.700 -0.983 0.000 1.324 253 G N 2.223 110.938 108.800 -0.142 0.000 2.484 253 G HA2 -0.197 3.778 3.960 0.025 0.000 0.215 253 G HA3 -0.197 3.778 3.960 0.025 0.000 0.215 253 G C 1.307 175.951 174.900 -0.428 0.000 1.219 253 G CA 1.137 46.132 45.100 -0.176 0.000 0.791 253 G HN 0.440 nan 8.290 nan 0.000 0.550 254 I N -3.574 116.803 120.570 -0.323 0.000 4.323 254 I HA 0.435 4.620 4.170 0.025 0.000 0.328 254 I C 0.640 176.687 176.117 -0.116 0.000 1.310 254 I CA -0.192 60.919 61.300 -0.316 0.000 1.186 254 I CB 0.547 38.316 38.000 -0.384 0.000 1.130 254 I HN 0.051 nan 8.210 nan 0.000 0.411 255 Q N 0.924 120.720 119.800 -0.006 0.000 2.495 255 Q HA 0.649 5.003 4.340 0.025 0.000 0.283 255 Q C -0.021 176.145 176.000 0.277 0.000 1.097 255 Q CA -0.430 55.428 55.803 0.091 0.000 0.836 255 Q CB 2.303 31.005 28.738 -0.060 0.000 1.426 255 Q HN 0.277 nan 8.270 nan 0.000 0.459 256 G N -0.399 108.572 108.800 0.285 0.000 3.345 256 G HA2 0.443 4.418 3.960 0.025 0.000 0.202 256 G HA3 0.443 4.418 3.960 0.025 0.000 0.202 256 G C -0.196 174.790 174.900 0.142 0.000 1.740 256 G CA -0.127 45.172 45.100 0.332 0.000 0.806 256 G HN 0.586 nan 8.290 nan 0.000 0.718 257 G N 1.858 110.807 108.800 0.248 0.000 2.365 257 G HA2 0.482 4.457 3.960 0.025 0.000 0.249 257 G HA3 0.482 4.457 3.960 0.025 0.000 0.249 257 G C -2.083 172.846 174.900 0.050 0.000 1.288 257 G CA -0.328 44.853 45.100 0.136 0.000 0.887 257 G HN 0.378 nan 8.290 nan 0.000 0.524 258 P HA 0.177 nan 4.420 nan 0.000 0.276 258 P C -0.128 177.179 177.300 0.011 0.000 1.252 258 P CA -0.499 62.605 63.100 0.007 0.000 0.802 258 P CB 1.239 32.885 31.700 -0.089 0.000 1.035 259 L N 2.420 123.663 121.223 0.034 0.000 2.356 259 L HA 0.132 4.487 4.340 0.025 0.000 0.282 259 L C 1.837 178.634 176.870 -0.122 0.000 1.132 259 L CA -0.495 54.297 54.840 -0.081 0.000 0.923 259 L CB -0.142 41.775 42.059 -0.237 0.000 1.278 259 L HN 0.231 nan 8.230 nan 0.000 0.436 260 M N 1.386 121.003 119.600 0.028 0.000 2.159 260 M HA -0.158 4.337 4.480 0.025 0.000 0.263 260 M C 2.399 178.720 176.300 0.036 0.000 1.063 260 M CA 1.550 56.862 55.300 0.021 0.000 1.110 260 M CB -1.101 31.510 32.600 0.019 0.000 1.374 260 M HN 0.645 nan 8.290 nan 0.000 0.411 261 H N -0.665 118.362 119.070 -0.071 0.000 2.387 261 H HA 0.004 4.563 4.556 0.005 0.000 0.299 261 H C 2.113 177.403 175.328 -0.064 0.000 1.090 261 H CA 1.541 57.550 56.048 -0.065 0.000 1.332 261 H CB -1.521 28.200 29.762 -0.068 0.000 1.386 261 H HN 0.258 nan 8.280 nan 0.000 0.516 262 V N 1.561 121.176 119.914 -0.497 0.000 2.453 262 V HA -0.161 3.974 4.120 0.025 0.000 0.247 262 V C 2.974 178.949 176.094 -0.198 0.000 1.048 262 V CA 1.413 63.515 62.300 -0.329 0.000 1.049 262 V CB -0.560 31.051 31.823 -0.354 0.000 0.672 262 V HN 0.243 nan 8.190 nan 0.000 0.457 263 I N 0.650 121.123 120.570 -0.161 0.000 2.286 263 I HA -0.236 3.949 4.170 0.025 0.000 0.248 263 I C 2.692 178.732 176.117 -0.128 0.000 1.115 263 I CA 1.388 62.617 61.300 -0.118 0.000 1.392 263 I CB -0.571 37.391 38.000 -0.062 0.000 1.065 263 I HN 0.289 nan 8.210 nan 0.000 0.418 264 A N 0.883 123.648 122.820 -0.091 0.000 1.883 264 A HA -0.233 4.101 4.320 0.025 0.000 0.217 264 A C 2.549 180.059 177.584 -0.123 0.000 1.186 264 A CA 2.099 54.090 52.037 -0.077 0.000 0.624 264 A CB -0.910 18.073 19.000 -0.030 0.000 0.822 264 A HN 0.440 nan 8.150 nan 0.000 0.444 265 A N -0.508 122.232 122.820 -0.133 0.000 1.933 265 A HA -0.147 4.188 4.320 0.025 0.000 0.218 265 A C 2.100 179.529 177.584 -0.259 0.000 1.175 265 A CA 1.814 53.762 52.037 -0.150 0.000 0.628 265 A CB -0.401 18.528 19.000 -0.118 0.000 0.814 265 A HN 0.570 nan 8.150 nan 0.000 0.444 266 K N -0.265 119.922 120.400 -0.354 0.000 2.026 266 K HA -0.069 4.266 4.320 0.025 0.000 0.208 266 K C 2.361 178.328 176.600 -1.056 0.000 1.048 266 K CA 1.131 56.974 56.287 -0.741 0.000 0.929 266 K CB -0.372 31.740 32.500 -0.647 0.000 0.713 266 K HN 0.427 nan 8.250 nan 0.000 0.439 267 A N 1.138 123.630 122.820 -0.546 0.000 1.892 267 A HA -0.178 4.157 4.320 0.025 0.000 0.218 267 A C 2.400 179.860 177.584 -0.206 0.000 1.188 267 A CA 1.825 53.690 52.037 -0.285 0.000 0.631 267 A CB -0.883 18.054 19.000 -0.105 0.000 0.822 267 A HN 0.089 nan 8.150 nan 0.000 0.447 268 V N -0.232 119.567 119.914 -0.191 0.000 2.255 268 V HA -0.272 3.863 4.120 0.025 0.000 0.247 268 V C 3.072 179.097 176.094 -0.116 0.000 1.051 268 V CA 2.113 64.344 62.300 -0.115 0.000 1.018 268 V CB -1.356 30.413 31.823 -0.090 0.000 0.641 268 V HN 0.644 nan 8.190 nan 0.000 0.445 269 A N -0.536 122.171 122.820 -0.189 0.000 1.933 269 A HA -0.180 4.155 4.320 0.025 0.000 0.218 269 A C 2.141 179.712 177.584 -0.022 0.000 1.175 269 A CA 1.858 53.819 52.037 -0.127 0.000 0.628 269 A CB -0.757 18.157 19.000 -0.144 0.000 0.814 269 A HN 0.553 nan 8.150 nan 0.000 0.444 270 F N -0.011 119.877 119.950 -0.104 0.000 2.146 270 F HA -0.099 4.450 4.527 0.037 0.000 0.298 270 F C 2.743 178.454 175.800 -0.148 0.000 1.096 270 F CA 0.233 58.153 58.000 -0.133 0.000 1.275 270 F CB -0.613 38.345 39.000 -0.071 0.000 1.008 270 F HN 0.367 nan 8.300 nan 0.000 0.480 271 G N 0.449 109.290 108.800 0.069 0.000 2.476 271 G HA2 -0.270 3.705 3.960 0.025 0.000 0.218 271 G HA3 -0.270 3.705 3.960 0.025 0.000 0.218 271 G C 1.357 176.245 174.900 -0.020 0.000 1.164 271 G CA 1.070 46.178 45.100 0.013 0.000 0.768 271 G HN 0.350 nan 8.290 nan 0.000 0.560 272 E N 0.552 120.730 120.200 -0.038 0.000 2.085 272 E HA -0.088 4.277 4.350 0.025 0.000 0.194 272 E C 2.877 179.410 176.600 -0.112 0.000 0.994 272 E CA 0.888 57.268 56.400 -0.034 0.000 0.801 272 E CB -0.227 29.462 29.700 -0.018 0.000 0.743 272 E HN 0.432 nan 8.360 nan 0.000 0.453 273 A N 0.834 123.443 122.820 -0.352 0.000 2.067 273 A HA -0.088 4.247 4.320 0.025 0.000 0.219 273 A C 2.079 179.492 177.584 -0.285 0.000 1.158 273 A CA 0.763 52.331 52.037 -0.783 0.000 0.661 273 A CB -0.381 18.059 19.000 -0.934 0.000 0.801 273 A HN 0.137 nan 8.150 nan 0.000 0.452 274 L N -0.543 120.592 121.223 -0.146 0.000 2.376 274 L HA -0.069 4.285 4.340 0.025 0.000 0.219 274 L C 0.939 177.811 176.870 0.004 0.000 1.133 274 L CA 0.231 55.029 54.840 -0.071 0.000 0.816 274 L CB -0.253 41.773 42.059 -0.055 0.000 0.933 274 L HN 0.484 nan 8.230 nan 0.000 0.449 275 Q N -0.194 119.631 119.800 0.042 0.000 2.354 275 Q HA -0.014 4.341 4.340 0.025 0.000 0.244 275 Q C 0.446 176.521 176.000 0.124 0.000 0.969 275 Q CA -0.581 55.269 55.803 0.078 0.000 0.885 275 Q CB 0.972 29.760 28.738 0.084 0.000 1.241 275 Q HN 0.023 nan 8.270 nan 0.000 0.461 276 D N 1.562 122.018 120.400 0.094 0.000 2.149 276 D HA -0.191 4.464 4.640 0.025 0.000 0.198 276 D C 1.252 177.624 176.300 0.119 0.000 0.990 276 D CA 1.628 55.684 54.000 0.095 0.000 0.839 276 D CB -0.105 40.733 40.800 0.064 0.000 0.948 276 D HN 0.654 nan 8.370 nan 0.000 0.460 277 D N -0.194 120.280 120.400 0.124 0.000 2.264 277 D HA -0.175 4.480 4.640 0.025 0.000 0.208 277 D C 1.943 178.351 176.300 0.179 0.000 0.966 277 D CA 0.265 54.340 54.000 0.125 0.000 0.864 277 D CB -1.008 39.852 40.800 0.100 0.000 0.933 277 D HN 0.280 nan 8.370 nan 0.000 0.499 278 F N 1.190 121.200 119.950 0.099 0.000 2.186 278 F HA -0.022 4.519 4.527 0.024 0.000 0.299 278 F C 1.910 177.817 175.800 0.178 0.000 1.090 278 F CA 1.024 59.121 58.000 0.162 0.000 1.307 278 F CB 0.108 39.177 39.000 0.114 0.000 1.019 278 F HN -0.250 nan 8.300 nan 0.000 0.489 279 K N 0.771 121.302 120.400 0.217 0.000 2.057 279 K HA -0.091 4.244 4.320 0.025 0.000 0.207 279 K C 2.260 178.854 176.600 -0.009 0.000 1.049 279 K CA 1.408 57.750 56.287 0.092 0.000 0.931 279 K CB -1.045 31.520 32.500 0.109 0.000 0.714 279 K HN 0.325 nan 8.250 nan 0.000 0.440 280 A N -0.091 122.745 122.820 0.026 0.000 1.898 280 A HA -0.193 4.142 4.320 0.025 0.000 0.216 280 A C 2.165 179.738 177.584 -0.018 0.000 1.181 280 A CA 1.528 53.573 52.037 0.013 0.000 0.620 280 A CB -0.877 18.151 19.000 0.046 0.000 0.819 280 A HN 0.429 nan 8.150 nan 0.000 0.442 281 Y N 0.903 121.112 120.300 -0.151 0.000 2.097 281 Y HA -0.169 4.399 4.550 0.030 0.000 0.282 281 Y C 2.567 178.312 175.900 -0.258 0.000 1.152 281 Y CA 1.529 59.504 58.100 -0.209 0.000 1.136 281 Y CB -0.798 37.481 38.460 -0.301 0.000 0.975 281 Y HN 0.279 nan 8.280 nan 0.000 0.498 282 A N 0.494 122.885 122.820 -0.714 0.000 1.972 282 A HA -0.203 4.132 4.320 0.025 0.000 0.219 282 A C 2.357 179.722 177.584 -0.365 0.000 1.169 282 A CA 1.853 53.473 52.037 -0.694 0.000 0.635 282 A CB -0.818 17.908 19.000 -0.456 0.000 0.810 282 A HN 0.578 nan 8.150 nan 0.000 0.446 283 K N -0.358 119.910 120.400 -0.221 0.000 2.057 283 K HA -0.126 4.209 4.320 0.025 0.000 0.206 283 K C 2.230 178.758 176.600 -0.119 0.000 1.050 283 K CA 1.212 57.428 56.287 -0.118 0.000 0.935 283 K CB -0.175 32.290 32.500 -0.058 0.000 0.715 283 K HN 0.437 nan 8.250 nan 0.000 0.439 284 R N 0.248 120.661 120.500 -0.144 0.000 2.096 284 R HA -0.090 4.264 4.340 0.025 0.000 0.235 284 R C 2.278 178.500 176.300 -0.130 0.000 1.127 284 R CA 1.233 57.275 56.100 -0.097 0.000 0.968 284 R CB -0.343 29.932 30.300 -0.042 0.000 0.861 284 R HN 0.067 nan 8.270 nan 0.000 0.440 285 V N 0.614 120.360 119.914 -0.280 0.000 2.255 285 V HA -0.247 3.888 4.120 0.025 0.000 0.247 285 V C 2.373 178.416 176.094 -0.085 0.000 1.051 285 V CA 1.830 63.994 62.300 -0.227 0.000 1.018 285 V CB -0.380 31.205 31.823 -0.396 0.000 0.641 285 V HN 0.120 nan 8.190 nan 0.000 0.445 286 V N -0.008 119.859 119.914 -0.079 0.000 2.358 286 V HA -0.222 3.913 4.120 0.025 0.000 0.246 286 V C 2.278 178.365 176.094 -0.013 0.000 1.047 286 V CA 2.079 64.369 62.300 -0.017 0.000 1.035 286 V CB -0.734 31.086 31.823 -0.005 0.000 0.658 286 V HN 0.539 nan 8.190 nan 0.000 0.452 287 D N 0.392 120.778 120.400 -0.024 0.000 2.104 287 D HA -0.154 4.501 4.640 0.025 0.000 0.194 287 D C 2.076 178.378 176.300 0.002 0.000 0.994 287 D CA 1.281 55.276 54.000 -0.009 0.000 0.830 287 D CB -0.430 40.364 40.800 -0.010 0.000 0.959 287 D HN 0.343 nan 8.370 nan 0.000 0.452 288 N N 0.494 119.196 118.700 0.003 0.000 2.120 288 N HA -0.094 4.661 4.740 0.025 0.000 0.188 288 N C 1.692 177.215 175.510 0.023 0.000 1.024 288 N CA 1.296 54.361 53.050 0.025 0.000 0.852 288 N CB -0.407 38.106 38.487 0.043 0.000 1.003 288 N HN 0.140 nan 8.380 nan 0.000 0.424 289 A N 1.122 123.949 122.820 0.011 0.000 1.902 289 A HA -0.128 4.207 4.320 0.025 0.000 0.217 289 A C 2.163 179.746 177.584 -0.000 0.000 1.181 289 A CA 1.403 53.441 52.037 0.003 0.000 0.623 289 A CB -0.361 18.638 19.000 -0.002 0.000 0.818 289 A HN 0.238 nan 8.150 nan 0.000 0.443 290 K N -0.965 119.437 120.400 0.002 0.000 2.026 290 K HA -0.162 4.173 4.320 0.025 0.000 0.208 290 K C 2.367 178.973 176.600 0.010 0.000 1.048 290 K CA 1.575 57.864 56.287 0.003 0.000 0.929 290 K CB -0.150 32.352 32.500 0.003 0.000 0.713 290 K HN 0.305 nan 8.250 nan 0.000 0.439 291 R N 1.320 121.828 120.500 0.014 0.000 2.083 291 R HA -0.128 4.227 4.340 0.025 0.000 0.237 291 R C 2.062 178.377 176.300 0.025 0.000 1.137 291 R CA 1.265 57.377 56.100 0.020 0.000 0.951 291 R CB -0.847 29.468 30.300 0.024 0.000 0.851 291 R HN 0.133 nan 8.270 nan 0.000 0.434 292 L N 0.275 121.514 121.223 0.026 0.000 2.042 292 L HA -0.015 4.340 4.340 0.025 0.000 0.210 292 L C 2.109 178.992 176.870 0.021 0.000 1.076 292 L CA 2.249 57.105 54.840 0.026 0.000 0.749 292 L CB -1.107 40.965 42.059 0.022 0.000 0.893 292 L HN 0.292 nan 8.230 nan 0.000 0.432 293 A N -1.577 121.250 122.820 0.011 0.000 1.865 293 A HA -0.277 4.058 4.320 0.025 0.000 0.217 293 A C 2.542 180.146 177.584 0.033 0.000 1.191 293 A CA 2.235 54.280 52.037 0.013 0.000 0.623 293 A CB -1.339 17.662 19.000 0.000 0.000 0.826 293 A HN 0.532 nan 8.150 nan 0.000 0.444 294 S N -0.568 115.149 115.700 0.029 0.000 2.359 294 S HA -0.083 4.402 4.470 0.025 0.000 0.224 294 S C 2.170 176.798 174.600 0.046 0.000 1.035 294 S CA 1.751 59.971 58.200 0.033 0.000 1.018 294 S CB -0.514 62.700 63.200 0.023 0.000 0.876 294 S HN 0.864 nan 8.310 nan 0.000 0.448 295 A N 1.120 123.969 122.820 0.048 0.000 1.930 295 A HA 0.088 4.422 4.320 0.025 0.000 0.217 295 A C 2.214 179.858 177.584 0.100 0.000 1.175 295 A CA 1.304 53.376 52.037 0.060 0.000 0.627 295 A CB -0.733 18.298 19.000 0.051 0.000 0.815 295 A HN 0.571 nan 8.150 nan 0.000 0.443 296 L N -0.863 120.430 121.223 0.116 0.000 2.046 296 L HA -0.263 4.092 4.340 0.025 0.000 0.208 296 L C 2.896 179.929 176.870 0.272 0.000 1.077 296 L CA 1.634 56.610 54.840 0.227 0.000 0.747 296 L CB -0.542 41.587 42.059 0.115 0.000 0.896 296 L HN 0.478 nan 8.230 nan 0.000 0.432 297 Q N -0.502 119.389 119.800 0.151 0.000 2.124 297 Q HA -0.231 4.124 4.340 0.025 0.000 0.202 297 Q C 2.035 178.072 176.000 0.062 0.000 0.977 297 Q CA 1.539 57.405 55.803 0.105 0.000 0.850 297 Q CB -0.313 28.466 28.738 0.067 0.000 0.901 297 Q HN 0.507 nan 8.270 nan 0.000 0.429 298 N N 0.494 119.229 118.700 0.058 0.000 2.205 298 N HA -0.181 4.574 4.740 0.025 0.000 0.186 298 N C 1.061 176.577 175.510 0.011 0.000 1.015 298 N CA 0.812 53.880 53.050 0.030 0.000 0.862 298 N CB 0.232 38.738 38.487 0.032 0.000 0.986 298 N HN 0.197 nan 8.380 nan 0.000 0.429 299 E N -0.276 119.946 120.200 0.036 0.000 2.511 299 E HA 0.018 4.383 4.350 0.025 0.000 0.196 299 E C 1.044 177.491 176.600 -0.255 0.000 1.066 299 E CA 0.559 56.935 56.400 -0.041 0.000 0.871 299 E CB -0.042 29.726 29.700 0.114 0.000 0.863 299 E HN 0.585 nan 8.360 nan 0.000 0.520 300 G N 0.871 109.564 108.800 -0.179 0.000 2.159 300 G HA2 -0.245 3.730 3.960 0.025 0.000 0.227 300 G HA3 -0.245 3.730 3.960 0.025 0.000 0.227 300 G C -0.034 174.710 174.900 -0.259 0.000 0.986 300 G CA -0.289 44.673 45.100 -0.228 0.000 0.651 300 G HN 0.139 nan 8.290 nan 0.000 0.523 301 F N 1.640 121.594 119.950 0.006 0.000 2.389 301 F HA 0.574 5.117 4.527 0.026 0.000 0.337 301 F C 1.188 176.993 175.800 0.008 0.000 1.112 301 F CA 0.055 58.059 58.000 0.006 0.000 1.192 301 F CB 1.280 40.283 39.000 0.005 0.000 1.185 301 F HN -0.076 nan 8.300 nan 0.000 0.552 302 T N 4.670 119.357 114.554 0.221 0.000 2.799 302 T HA 0.547 4.912 4.350 0.025 0.000 0.286 302 T C -0.196 174.571 174.700 0.112 0.000 0.973 302 T CA -0.526 61.654 62.100 0.132 0.000 1.035 302 T CB 0.378 69.307 68.868 0.101 0.000 0.932 302 T HN 0.266 nan 8.240 nan 0.000 0.469 303 L N 3.035 124.309 121.223 0.084 0.000 2.317 303 L HA 0.495 4.850 4.340 0.025 0.000 0.281 303 L C 0.143 177.047 176.870 0.058 0.000 1.024 303 L CA -1.333 53.534 54.840 0.046 0.000 0.810 303 L CB 1.552 43.631 42.059 0.032 0.000 1.240 303 L HN 0.321 nan 8.230 nan 0.000 0.427 304 V N 2.922 122.837 119.914 0.002 0.000 2.557 304 V HA -0.087 4.048 4.120 0.025 0.000 0.301 304 V C 1.170 177.335 176.094 0.118 0.000 1.026 304 V CA 1.312 63.599 62.300 -0.022 0.000 1.137 304 V CB 0.803 32.519 31.823 -0.179 0.000 0.917 304 V HN 1.182 nan 8.190 nan 0.000 0.484 305 S N 2.511 118.451 115.700 0.400 0.000 2.929 305 S HA -0.212 4.273 4.470 0.025 0.000 0.271 305 S C 1.321 175.973 174.600 0.087 0.000 1.295 305 S CA 1.131 59.453 58.200 0.203 0.000 1.277 305 S CB -1.979 61.266 63.200 0.075 0.000 1.557 305 S HN 2.828 nan 8.310 nan 0.000 0.666 306 G N -0.343 108.513 108.800 0.094 0.000 2.153 306 G HA2 0.302 4.277 3.960 0.025 0.000 0.252 306 G HA3 0.302 4.277 3.960 0.025 0.000 0.252 306 G C 1.022 175.937 174.900 0.025 0.000 0.994 306 G CA 0.674 45.804 45.100 0.051 0.000 0.698 306 G HN 2.649 nan 8.290 nan 0.000 0.521 307 G N -2.691 106.116 108.800 0.011 0.000 2.403 307 G HA2 0.632 4.607 3.960 0.025 0.000 0.223 307 G HA3 0.632 4.607 3.960 0.025 0.000 0.223 307 G C -0.525 174.353 174.900 -0.037 0.000 1.287 307 G CA 0.871 45.966 45.100 -0.008 0.000 0.982 307 G HN 1.857 nan 8.290 nan 0.000 0.471 308 T N -0.887 113.642 114.554 -0.040 0.000 2.932 308 T HA 0.566 4.931 4.350 0.025 0.000 0.318 308 T C -1.131 173.545 174.700 -0.040 0.000 1.265 308 T CA 0.098 62.162 62.100 -0.060 0.000 1.036 308 T CB 1.865 70.694 68.868 -0.065 0.000 1.209 308 T HN 0.307 nan 8.240 nan 0.000 0.484 309 D N 1.990 122.366 120.400 -0.040 0.000 2.398 309 D HA 0.191 4.846 4.640 0.025 0.000 0.210 309 D C 0.668 176.999 176.300 0.052 0.000 1.094 309 D CA 0.263 54.261 54.000 -0.004 0.000 0.839 309 D CB 0.513 41.305 40.800 -0.014 0.000 0.963 309 D HN 0.669 nan 8.370 nan 0.000 0.506 310 N N -0.779 117.956 118.700 0.060 0.000 3.550 310 N HA -0.025 4.730 4.740 0.025 0.000 0.357 310 N C 0.955 176.545 175.510 0.133 0.000 1.585 310 N CA -0.359 52.789 53.050 0.163 0.000 0.651 310 N CB -0.210 38.459 38.487 0.304 0.000 2.273 310 N HN -0.158 nan 8.380 nan 0.000 0.631 311 H N -0.909 118.180 119.070 0.032 0.000 2.548 311 H HA 0.300 4.871 4.556 0.025 0.000 0.265 311 H C 0.020 175.359 175.328 0.019 0.000 0.969 311 H CA -0.042 56.015 56.048 0.014 0.000 1.155 311 H CB -0.427 29.352 29.762 0.029 0.000 1.394 311 H HN 0.512 nan 8.280 nan 0.000 0.570 312 L N 0.159 121.079 121.223 -0.505 0.000 2.354 312 L HA 0.656 5.011 4.340 0.025 0.000 0.264 312 L C -1.176 175.555 176.870 -0.232 0.000 1.008 312 L CA -1.620 52.958 54.840 -0.437 0.000 0.819 312 L CB 2.269 43.938 42.059 -0.651 0.000 1.339 312 L HN 0.046 nan 8.230 nan 0.000 0.420 313 L N 0.706 121.830 121.223 -0.165 0.000 2.376 313 L HA 0.825 5.180 4.340 0.025 0.000 0.258 313 L C -1.525 175.279 176.870 -0.111 0.000 1.013 313 L CA -0.829 53.938 54.840 -0.120 0.000 0.822 313 L CB 2.057 44.065 42.059 -0.085 0.000 1.388 313 L HN 0.671 nan 8.230 nan 0.000 0.413 314 L N 2.002 123.167 121.223 -0.096 0.000 2.349 314 L HA 0.649 5.004 4.340 0.025 0.000 0.278 314 L C -0.885 175.938 176.870 -0.079 0.000 0.996 314 L CA -0.920 53.865 54.840 -0.092 0.000 0.825 314 L CB 2.213 44.215 42.059 -0.095 0.000 1.243 314 L HN 0.508 nan 8.230 nan 0.000 0.412 315 V N 1.963 121.824 119.914 -0.089 0.000 2.461 315 V HA 0.125 4.260 4.120 0.025 0.000 0.275 315 V C -0.090 175.980 176.094 -0.041 0.000 1.047 315 V CA -0.454 61.801 62.300 -0.074 0.000 0.955 315 V CB 1.450 33.174 31.823 -0.165 0.000 0.988 315 V HN 0.604 nan 8.190 nan 0.000 0.471 316 D N 4.584 124.983 120.400 -0.002 0.000 2.365 316 D HA 0.216 4.871 4.640 0.025 0.000 0.237 316 D C 0.636 176.971 176.300 0.059 0.000 1.190 316 D CA -0.057 53.948 54.000 0.009 0.000 0.867 316 D CB 1.095 41.901 40.800 0.010 0.000 1.050 316 D HN 0.453 nan 8.370 nan 0.000 0.491 317 L N 3.563 124.815 121.223 0.049 0.000 2.591 317 L HA 0.161 4.515 4.340 0.025 0.000 0.228 317 L C 2.338 179.253 176.870 0.075 0.000 1.133 317 L CA -0.110 54.781 54.840 0.086 0.000 0.880 317 L CB -0.023 42.073 42.059 0.062 0.000 1.033 317 L HN 0.290 nan 8.230 nan 0.000 0.450 318 R N 0.655 121.189 120.500 0.055 0.000 2.103 318 R HA -0.188 4.166 4.340 0.025 0.000 0.242 318 R C -0.371 175.956 176.300 0.046 0.000 1.142 318 R CA 1.652 57.780 56.100 0.047 0.000 0.960 318 R CB -1.528 28.797 30.300 0.041 0.000 0.858 318 R HN 0.321 nan 8.270 nan 0.000 0.439 319 P HA -0.133 nan 4.420 nan 0.000 0.219 319 P C 0.562 177.879 177.300 0.028 0.000 1.146 319 P CA 1.244 64.366 63.100 0.035 0.000 0.808 319 P CB 0.133 31.853 31.700 0.034 0.000 0.779 320 Q N -1.120 118.711 119.800 0.051 0.000 2.360 320 Q HA 0.092 4.447 4.340 0.025 0.000 0.202 320 Q C 0.274 176.301 176.000 0.044 0.000 0.915 320 Q CA 0.157 55.988 55.803 0.047 0.000 0.943 320 Q CB -0.536 28.260 28.738 0.098 0.000 1.064 320 Q HN 0.093 nan 8.270 nan 0.000 0.511 321 Q N -0.238 119.586 119.800 0.040 0.000 2.434 321 Q HA -0.220 4.135 4.340 0.025 0.000 0.299 321 Q C -0.955 175.068 176.000 0.039 0.000 1.286 321 Q CA 0.843 56.667 55.803 0.034 0.000 0.872 321 Q CB -1.910 26.843 28.738 0.025 0.000 1.193 321 Q HN 0.414 nan 8.270 nan 0.000 0.466 322 L N -0.055 121.197 121.223 0.048 0.000 2.342 322 L HA 0.499 4.854 4.340 0.025 0.000 0.271 322 L C 1.022 177.916 176.870 0.039 0.000 1.008 322 L CA -0.691 54.177 54.840 0.047 0.000 0.818 322 L CB 1.857 43.953 42.059 0.061 0.000 1.296 322 L HN 0.109 nan 8.230 nan 0.000 0.427 323 T N -1.713 112.860 114.554 0.032 0.000 2.874 323 T HA 0.245 4.610 4.350 0.025 0.000 0.281 323 T C 1.252 175.963 174.700 0.019 0.000 0.994 323 T CA -0.085 62.031 62.100 0.026 0.000 1.015 323 T CB 1.604 70.489 68.868 0.028 0.000 1.028 323 T HN 0.705 nan 8.240 nan 0.000 0.523 324 G N 0.167 108.973 108.800 0.009 0.000 2.422 324 G HA2 -0.200 3.775 3.960 0.025 0.000 0.218 324 G HA3 -0.200 3.775 3.960 0.025 0.000 0.218 324 G C 1.370 176.272 174.900 0.003 0.000 1.146 324 G CA 0.878 45.976 45.100 -0.003 0.000 0.769 324 G HN 0.853 nan 8.290 nan 0.000 0.547 325 K N -0.155 120.254 120.400 0.015 0.000 2.026 325 K HA -0.103 4.232 4.320 0.025 0.000 0.208 325 K C 2.549 179.161 176.600 0.020 0.000 1.048 325 K CA 1.747 58.047 56.287 0.022 0.000 0.929 325 K CB -0.342 32.179 32.500 0.036 0.000 0.713 325 K HN 0.257 nan 8.250 nan 0.000 0.439 326 T N 0.761 115.328 114.554 0.022 0.000 2.708 326 T HA -0.124 4.241 4.350 0.025 0.000 0.266 326 T C 1.856 176.568 174.700 0.020 0.000 1.037 326 T CA 1.376 63.490 62.100 0.023 0.000 1.146 326 T CB -0.314 68.570 68.868 0.027 0.000 0.865 326 T HN 0.434 nan 8.240 nan 0.000 0.435 327 A N 1.340 124.170 122.820 0.017 0.000 1.877 327 A HA -0.154 4.181 4.320 0.025 0.000 0.216 327 A C 2.215 179.800 177.584 0.000 0.000 1.186 327 A CA 2.004 54.047 52.037 0.009 0.000 0.620 327 A CB -0.696 18.300 19.000 -0.005 0.000 0.822 327 A HN 0.633 nan 8.150 nan 0.000 0.443 328 E N -0.076 120.123 120.200 -0.002 0.000 2.058 328 E HA -0.280 4.085 4.350 0.025 0.000 0.194 328 E C 2.104 178.708 176.600 0.007 0.000 0.997 328 E CA 1.707 58.106 56.400 -0.002 0.000 0.801 328 E CB -0.173 29.527 29.700 0.000 0.000 0.746 328 E HN 0.624 nan 8.360 nan 0.000 0.450 329 K N 0.226 120.634 120.400 0.012 0.000 2.009 329 K HA -0.145 4.190 4.320 0.025 0.000 0.210 329 K C 2.177 178.787 176.600 0.016 0.000 1.049 329 K CA 1.504 57.800 56.287 0.016 0.000 0.929 329 K CB -0.285 32.226 32.500 0.018 0.000 0.714 329 K HN 0.149 nan 8.250 nan 0.000 0.440 330 V N 1.420 121.344 119.914 0.017 0.000 2.427 330 V HA -0.172 3.963 4.120 0.025 0.000 0.248 330 V C 2.098 178.203 176.094 0.019 0.000 1.051 330 V CA 1.378 63.690 62.300 0.020 0.000 1.048 330 V CB -0.175 31.663 31.823 0.026 0.000 0.666 330 V HN 0.340 nan 8.190 nan 0.000 0.456 331 L N 0.093 121.324 121.223 0.014 0.000 2.083 331 L HA -0.182 4.173 4.340 0.025 0.000 0.209 331 L C 2.353 179.231 176.870 0.014 0.000 1.083 331 L CA 2.214 57.060 54.840 0.011 0.000 0.752 331 L CB -0.693 41.365 42.059 -0.001 0.000 0.899 331 L HN 0.451 nan 8.230 nan 0.000 0.433 332 D N 0.176 120.584 120.400 0.013 0.000 2.149 332 D HA -0.232 4.423 4.640 0.025 0.000 0.198 332 D C 1.985 178.295 176.300 0.017 0.000 0.990 332 D CA 1.223 55.232 54.000 0.015 0.000 0.839 332 D CB 0.119 40.928 40.800 0.015 0.000 0.948 332 D HN 0.315 nan 8.370 nan 0.000 0.460 333 E N -0.571 119.640 120.200 0.018 0.000 2.204 333 E HA -0.133 4.232 4.350 0.025 0.000 0.195 333 E C 1.977 178.588 176.600 0.020 0.000 0.990 333 E CA 1.212 57.623 56.400 0.018 0.000 0.821 333 E CB 0.137 29.848 29.700 0.018 0.000 0.750 333 E HN 0.459 nan 8.360 nan 0.000 0.477 334 V N -3.859 116.068 119.914 0.021 0.000 3.578 334 V HA 0.458 4.592 4.120 0.025 0.000 0.290 334 V C 1.077 177.187 176.094 0.026 0.000 1.376 334 V CA 0.405 62.719 62.300 0.024 0.000 1.083 334 V CB 0.332 32.170 31.823 0.026 0.000 0.911 334 V HN 0.226 nan 8.190 nan 0.000 0.433 335 G N 0.960 109.774 108.800 0.025 0.000 2.131 335 G HA2 -0.187 3.788 3.960 0.025 0.000 0.223 335 G HA3 -0.187 3.788 3.960 0.025 0.000 0.223 335 G C -0.222 174.696 174.900 0.030 0.000 0.990 335 G CA 0.166 45.282 45.100 0.027 0.000 0.671 335 G HN 0.593 nan 8.290 nan 0.000 0.521 336 I N 1.951 122.537 120.570 0.027 0.000 2.339 336 I HA 0.352 4.537 4.170 0.025 0.000 0.290 336 I C 0.143 176.270 176.117 0.016 0.000 0.994 336 I CA -0.548 60.767 61.300 0.026 0.000 1.191 336 I CB 1.759 39.773 38.000 0.023 0.000 1.343 336 I HN 0.023 nan 8.210 nan 0.000 0.458 337 T N 6.607 121.171 114.554 0.017 0.000 2.762 337 T HA 0.467 4.832 4.350 0.025 0.000 0.303 337 T C 0.032 174.733 174.700 0.002 0.000 0.977 337 T CA -0.527 61.580 62.100 0.012 0.000 0.961 337 T CB 0.698 69.578 68.868 0.019 0.000 0.944 337 T HN 0.429 nan 8.240 nan 0.000 0.481 338 V N 1.132 121.044 119.914 -0.005 0.000 3.155 338 V HA 0.782 4.917 4.120 0.025 0.000 0.313 338 V C -0.901 175.186 176.094 -0.011 0.000 1.162 338 V CA -1.413 60.879 62.300 -0.015 0.000 1.048 338 V CB 2.391 34.194 31.823 -0.033 0.000 1.092 338 V HN 0.843 nan 8.190 nan 0.000 0.447 339 N N 0.314 119.005 118.700 -0.015 0.000 2.284 339 N HA 0.338 5.093 4.740 0.025 0.000 0.300 339 N C -0.687 174.807 175.510 -0.026 0.000 1.047 339 N CA -0.788 52.253 53.050 -0.014 0.000 0.821 339 N CB 2.505 40.989 38.487 -0.007 0.000 1.337 339 N HN 0.994 nan 8.380 nan 0.000 0.482 340 K N 1.355 121.741 120.400 -0.023 0.000 2.518 340 K HA 0.015 4.350 4.320 0.025 0.000 0.276 340 K C -0.946 175.628 176.600 -0.043 0.000 0.974 340 K CA 0.087 56.357 56.287 -0.029 0.000 0.986 340 K CB 0.247 32.736 32.500 -0.017 0.000 0.901 340 K HN 0.715 nan 8.250 nan 0.000 0.497 341 N N 0.709 119.379 118.700 -0.050 0.000 2.406 341 N HA 0.081 4.835 4.740 0.025 0.000 0.283 341 N C -1.675 173.797 175.510 -0.064 0.000 1.074 341 N CA -0.581 52.432 53.050 -0.062 0.000 0.916 341 N CB 1.775 40.225 38.487 -0.060 0.000 1.639 341 N HN 0.787 nan 8.380 nan 0.000 0.485 342 T N 0.821 115.331 114.554 -0.073 0.000 2.940 342 T HA 0.294 4.659 4.350 0.025 0.000 0.309 342 T C 0.780 175.436 174.700 -0.073 0.000 1.056 342 T CA -0.392 61.668 62.100 -0.066 0.000 1.137 342 T CB -0.070 68.757 68.868 -0.069 0.000 0.976 342 T HN 0.429 nan 8.240 nan 0.000 0.547 343 I N -0.574 119.948 120.570 -0.080 0.000 2.793 343 I HA 0.645 4.830 4.170 0.025 0.000 0.313 343 I C -2.805 173.218 176.117 -0.156 0.000 0.998 343 I CA -3.693 57.531 61.300 -0.126 0.000 1.140 343 I CB 1.013 38.933 38.000 -0.133 0.000 1.327 343 I HN 0.321 nan 8.210 nan 0.000 0.491 344 P HA 0.050 nan 4.420 nan 0.000 0.265 344 P C -1.237 175.932 177.300 -0.218 0.000 1.193 344 P CA 0.649 63.457 63.100 -0.487 0.000 0.765 344 P CB -0.184 31.237 31.700 -0.465 0.000 0.823 345 Y N -0.789 119.426 120.300 -0.141 0.000 3.929 345 Y HA -0.264 4.301 4.550 0.025 0.000 0.225 345 Y C 0.804 176.705 175.900 0.000 0.000 1.200 345 Y CA 0.342 58.441 58.100 -0.002 0.000 1.791 345 Y CB -2.416 36.047 38.460 0.004 0.000 1.561 345 Y HN 0.389 nan 8.280 nan 0.000 0.657 346 D N 2.079 122.506 120.400 0.044 0.000 2.450 346 D HA 0.026 4.681 4.640 0.025 0.000 0.247 346 D C -0.804 175.529 176.300 0.054 0.000 1.162 346 D CA -0.925 53.095 54.000 0.033 0.000 0.879 346 D CB 1.112 41.908 40.800 -0.005 0.000 1.163 346 D HN 0.163 nan 8.370 nan 0.000 0.472 347 P HA 0.011 nan 4.420 nan 0.000 0.236 347 P C -0.013 177.313 177.300 0.044 0.000 1.177 347 P CA 0.475 63.607 63.100 0.054 0.000 0.773 347 P CB 0.601 32.331 31.700 0.050 0.000 0.878 348 E N 0.530 120.752 120.200 0.037 0.000 2.250 348 E HA 0.239 4.604 4.350 0.025 0.000 0.269 348 E C 0.452 177.077 176.600 0.042 0.000 1.018 348 E CA -0.419 56.004 56.400 0.039 0.000 0.873 348 E CB 1.144 30.864 29.700 0.034 0.000 1.134 348 E HN 0.065 nan 8.360 nan 0.000 0.403 349 S N 1.057 116.796 115.700 0.066 0.000 2.584 349 S HA 0.095 4.580 4.470 0.025 0.000 0.270 349 S C -1.624 173.008 174.600 0.054 0.000 1.346 349 S CA -0.953 57.304 58.200 0.095 0.000 1.018 349 S CB 0.678 63.988 63.200 0.184 0.000 0.899 349 S HN 0.250 nan 8.310 nan 0.000 0.542 350 P HA -0.051 nan 4.420 nan 0.000 0.223 350 P C 0.612 177.741 177.300 -0.286 0.000 1.144 350 P CA 1.110 64.092 63.100 -0.198 0.000 0.783 350 P CB -0.216 31.281 31.700 -0.339 0.000 0.771 351 F N -1.601 118.339 119.950 -0.017 0.000 2.754 351 F HA 0.023 4.564 4.527 0.025 0.000 0.297 351 F C 2.139 177.934 175.800 -0.009 0.000 1.122 351 F CA 0.410 58.402 58.000 -0.013 0.000 1.400 351 F CB -0.169 38.823 39.000 -0.012 0.000 1.117 351 F HN -0.259 nan 8.300 nan 0.000 0.587 352 V N -1.928 118.068 119.914 0.136 0.000 2.950 352 V HA 0.143 4.278 4.120 0.025 0.000 0.231 352 V C 0.615 176.731 176.094 0.036 0.000 1.205 352 V CA 0.866 63.214 62.300 0.081 0.000 1.239 352 V CB -0.059 31.810 31.823 0.076 0.000 1.050 352 V HN 0.368 nan 8.190 nan 0.000 0.498 353 T N -0.599 113.969 114.554 0.023 0.000 0.541 353 T HA -0.227 4.138 4.350 0.025 0.000 0.774 353 T C 0.158 174.861 174.700 0.005 0.000 0.992 353 T CA 0.416 62.515 62.100 -0.001 0.000 4.077 353 T CB -1.425 67.428 68.868 -0.025 0.000 2.303 353 T HN 0.384 nan 8.240 nan 0.000 0.398 354 S N 1.099 116.797 115.700 -0.004 0.000 2.602 354 S HA 0.588 5.072 4.470 0.025 0.000 0.240 354 S C 0.746 175.341 174.600 -0.009 0.000 0.992 354 S CA -0.066 58.135 58.200 0.003 0.000 0.971 354 S CB 0.678 63.884 63.200 0.009 0.000 0.855 354 S HN 1.239 nan 8.310 nan 0.000 0.481 355 G N 1.579 110.364 108.800 -0.024 0.000 2.694 355 G HA2 0.735 4.710 3.960 0.025 0.000 0.290 355 G HA3 0.735 4.710 3.960 0.025 0.000 0.290 355 G C -1.249 173.623 174.900 -0.047 0.000 1.386 355 G CA -0.907 44.169 45.100 -0.040 0.000 0.872 355 G HN 0.315 nan 8.290 nan 0.000 0.475 356 I N -1.906 118.625 120.570 -0.065 0.000 2.545 356 I HA 0.742 4.927 4.170 0.025 0.000 0.292 356 I C -0.384 175.686 176.117 -0.078 0.000 1.040 356 I CA -1.206 60.053 61.300 -0.069 0.000 1.068 356 I CB 2.494 40.446 38.000 -0.080 0.000 1.251 356 I HN 0.451 nan 8.210 nan 0.000 0.424 357 R N 5.720 126.180 120.500 -0.066 0.000 2.368 357 R HA 0.771 5.126 4.340 0.025 0.000 0.302 357 R C -1.554 174.709 176.300 -0.061 0.000 1.002 357 R CA -0.532 55.526 56.100 -0.069 0.000 0.929 357 R CB 1.302 31.567 30.300 -0.059 0.000 1.073 357 R HN 0.824 nan 8.270 nan 0.000 0.464 358 I N 2.548 123.074 120.570 -0.073 0.000 2.619 358 I HA 0.453 4.638 4.170 0.025 0.000 0.292 358 I C -0.094 175.985 176.117 -0.063 0.000 1.100 358 I CA -0.724 60.540 61.300 -0.059 0.000 1.043 358 I CB 2.497 40.454 38.000 -0.071 0.000 1.239 358 I HN 0.787 nan 8.210 nan 0.000 0.420 359 G N 1.378 110.163 108.800 -0.026 0.000 2.619 359 G HA2 0.510 4.485 3.960 0.025 0.000 0.296 359 G HA3 0.510 4.485 3.960 0.025 0.000 0.296 359 G C 0.095 175.010 174.900 0.026 0.000 1.334 359 G CA -0.257 44.839 45.100 -0.008 0.000 0.934 359 G HN 0.575 nan 8.290 nan 0.000 0.476 360 T N -2.223 112.360 114.554 0.049 0.000 3.054 360 T HA 0.369 4.734 4.350 0.025 0.000 0.255 360 T C 2.189 176.920 174.700 0.052 0.000 1.035 360 T CA 1.224 63.349 62.100 0.042 0.000 0.941 360 T CB 0.627 69.518 68.868 0.037 0.000 1.026 360 T HN 0.761 nan 8.240 nan 0.000 0.533 361 A N 2.038 124.907 122.820 0.082 0.000 1.892 361 A HA 0.169 4.504 4.320 0.025 0.000 0.218 361 A C 2.711 180.375 177.584 0.132 0.000 1.188 361 A CA 2.024 54.125 52.037 0.106 0.000 0.631 361 A CB -1.396 17.670 19.000 0.111 0.000 0.822 361 A HN 0.745 nan 8.150 nan 0.000 0.447 362 A N -0.251 122.570 122.820 0.002 0.000 1.855 362 A HA 0.030 4.365 4.320 0.025 0.000 0.215 362 A C 2.342 179.972 177.584 0.077 0.000 1.191 362 A CA 2.262 54.243 52.037 -0.093 0.000 0.613 362 A CB -1.306 17.490 19.000 -0.340 0.000 0.829 362 A HN 1.167 nan 8.150 nan 0.000 0.442 363 V N -2.390 117.493 119.914 -0.050 0.000 2.490 363 V HA -0.169 3.966 4.120 0.025 0.000 0.250 363 V C 2.146 178.171 176.094 -0.116 0.000 1.061 363 V CA 2.641 64.753 62.300 -0.314 0.000 1.064 363 V CB -1.876 29.682 31.823 -0.443 0.000 0.670 363 V HN 0.423 nan 8.190 nan 0.000 0.461 364 T N 0.516 115.123 114.554 0.088 0.000 2.777 364 T HA -0.153 4.212 4.350 0.025 0.000 0.266 364 T C 1.960 176.843 174.700 0.306 0.000 1.040 364 T CA 2.222 64.446 62.100 0.208 0.000 1.141 364 T CB -0.650 68.307 68.868 0.149 0.000 0.868 364 T HN 0.635 nan 8.240 nan 0.000 0.444 365 T N 2.436 117.192 114.554 0.336 0.000 2.720 365 T HA -0.150 4.215 4.350 0.025 0.000 0.268 365 T C 1.895 176.668 174.700 0.122 0.000 1.037 365 T CA 1.312 63.506 62.100 0.157 0.000 1.144 365 T CB -0.251 68.694 68.868 0.128 0.000 0.864 365 T HN 0.581 nan 8.240 nan 0.000 0.444 366 R N 1.074 121.641 120.500 0.112 0.000 2.328 366 R HA 0.290 4.644 4.340 0.025 0.000 0.200 366 R C 1.427 177.820 176.300 0.154 0.000 0.983 366 R CA 0.721 56.849 56.100 0.046 0.000 1.062 366 R CB -0.192 30.048 30.300 -0.100 0.000 0.956 366 R HN 0.363 nan 8.270 nan 0.000 0.479 367 G N 0.477 109.398 108.800 0.202 0.000 2.144 367 G HA2 -0.252 3.723 3.960 0.025 0.000 0.218 367 G HA3 -0.252 3.723 3.960 0.025 0.000 0.218 367 G C -0.046 175.065 174.900 0.353 0.000 0.988 367 G CA -0.388 44.855 45.100 0.239 0.000 0.659 367 G HN 0.331 nan 8.290 nan 0.000 0.522 368 F N 0.794 120.786 119.950 0.070 0.000 2.518 368 F HA 0.442 4.985 4.527 0.027 0.000 0.359 368 F C 1.502 177.331 175.800 0.048 0.000 1.118 368 F CA 0.225 58.256 58.000 0.052 0.000 1.287 368 F CB 1.006 40.038 39.000 0.054 0.000 1.132 368 F HN 0.223 nan 8.300 nan 0.000 0.587 369 G N 1.937 110.834 108.800 0.162 0.000 3.262 369 G HA2 0.403 4.378 3.960 0.025 0.000 0.229 369 G HA3 0.403 4.378 3.960 0.025 0.000 0.229 369 G C 0.515 175.453 174.900 0.063 0.000 1.280 369 G CA -0.802 44.356 45.100 0.096 0.000 0.951 369 G HN 0.562 nan 8.290 nan 0.000 0.589 370 L N -0.054 121.191 121.223 0.037 0.000 2.017 370 L HA -0.059 4.296 4.340 0.025 0.000 0.208 370 L C 2.802 179.679 176.870 0.011 0.000 1.073 370 L CA 1.143 55.998 54.840 0.026 0.000 0.745 370 L CB -0.346 41.724 42.059 0.018 0.000 0.894 370 L HN 0.359 nan 8.230 nan 0.000 0.432 371 E N 0.426 120.622 120.200 -0.008 0.000 2.118 371 E HA -0.231 4.134 4.350 0.025 0.000 0.195 371 E C 2.096 178.666 176.600 -0.050 0.000 0.992 371 E CA 1.297 57.681 56.400 -0.028 0.000 0.804 371 E CB -0.141 29.534 29.700 -0.042 0.000 0.741 371 E HN 0.509 nan 8.360 nan 0.000 0.458 372 E N -0.223 119.931 120.200 -0.076 0.000 2.107 372 E HA -0.051 4.314 4.350 0.025 0.000 0.191 372 E C 1.954 178.556 176.600 0.003 0.000 0.982 372 E CA 0.574 56.893 56.400 -0.135 0.000 0.809 372 E CB -0.095 29.399 29.700 -0.342 0.000 0.756 372 E HN 0.110 nan 8.360 nan 0.000 0.459 373 M N 0.852 120.484 119.600 0.052 0.000 2.080 373 M HA -0.149 4.346 4.480 0.025 0.000 0.260 373 M C 1.334 177.661 176.300 0.045 0.000 1.068 373 M CA 1.443 56.785 55.300 0.071 0.000 1.109 373 M CB -0.937 31.701 32.600 0.063 0.000 1.342 373 M HN 0.037 nan 8.290 nan 0.000 0.405 374 D N 0.090 120.506 120.400 0.027 0.000 2.123 374 D HA -0.189 4.466 4.640 0.025 0.000 0.196 374 D C 2.013 178.327 176.300 0.024 0.000 0.992 374 D CA 1.429 55.444 54.000 0.024 0.000 0.833 374 D CB -0.218 40.589 40.800 0.012 0.000 0.954 374 D HN 0.405 nan 8.370 nan 0.000 0.455 375 E N 0.507 120.712 120.200 0.008 0.000 2.072 375 E HA -0.071 4.294 4.350 0.025 0.000 0.190 375 E C 2.124 178.742 176.600 0.029 0.000 0.982 375 E CA 0.611 57.014 56.400 0.005 0.000 0.803 375 E CB -0.351 29.330 29.700 -0.031 0.000 0.755 375 E HN 0.271 nan 8.360 nan 0.000 0.453 376 I N 0.665 121.262 120.570 0.045 0.000 2.163 376 I HA -0.315 3.870 4.170 0.025 0.000 0.243 376 I C 2.422 178.571 176.117 0.054 0.000 1.085 376 I CA 1.228 62.568 61.300 0.067 0.000 1.347 376 I CB -0.493 37.569 38.000 0.103 0.000 1.044 376 I HN 0.230 nan 8.210 nan 0.000 0.408 377 A N 0.724 123.578 122.820 0.056 0.000 1.883 377 A HA -0.227 4.108 4.320 0.025 0.000 0.217 377 A C 2.543 180.194 177.584 0.110 0.000 1.186 377 A CA 2.111 54.193 52.037 0.076 0.000 0.624 377 A CB -0.945 18.105 19.000 0.083 0.000 0.822 377 A HN 0.458 nan 8.150 nan 0.000 0.444 378 A N -0.220 122.649 122.820 0.081 0.000 1.902 378 A HA -0.078 4.257 4.320 0.025 0.000 0.217 378 A C 2.124 179.756 177.584 0.080 0.000 1.181 378 A CA 1.560 53.642 52.037 0.076 0.000 0.623 378 A CB -0.609 18.418 19.000 0.045 0.000 0.818 378 A HN 0.514 nan 8.150 nan 0.000 0.443 379 I N -0.354 120.255 120.570 0.065 0.000 2.252 379 I HA -0.242 3.942 4.170 0.025 0.000 0.245 379 I C 2.263 178.425 176.117 0.076 0.000 1.102 379 I CA 1.222 62.557 61.300 0.060 0.000 1.385 379 I CB -0.328 37.701 38.000 0.047 0.000 1.064 379 I HN 0.293 nan 8.210 nan 0.000 0.414 380 I N 0.757 121.372 120.570 0.076 0.000 2.226 380 I HA -0.228 3.957 4.170 0.025 0.000 0.245 380 I C 2.706 178.956 176.117 0.220 0.000 1.100 380 I CA 1.630 62.970 61.300 0.067 0.000 1.374 380 I CB -0.986 36.977 38.000 -0.062 0.000 1.057 380 I HN 0.281 nan 8.210 nan 0.000 0.413 381 G N 1.276 110.280 108.800 0.340 0.000 2.459 381 G HA2 -0.298 3.677 3.960 0.025 0.000 0.217 381 G HA3 -0.298 3.677 3.960 0.025 0.000 0.217 381 G C 1.652 176.654 174.900 0.171 0.000 1.183 381 G CA 0.915 46.228 45.100 0.354 0.000 0.776 381 G HN 0.284 nan 8.290 nan 0.000 0.552 382 L N 0.722 122.013 121.223 0.114 0.000 2.013 382 L HA -0.073 4.282 4.340 0.025 0.000 0.212 382 L C 2.895 179.809 176.870 0.074 0.000 1.073 382 L CA 1.680 56.562 54.840 0.070 0.000 0.753 382 L CB -0.578 41.513 42.059 0.053 0.000 0.890 382 L HN 0.101 nan 8.230 nan 0.000 0.432 383 V N -0.495 119.471 119.914 0.088 0.000 2.283 383 V HA -0.255 3.880 4.120 0.025 0.000 0.243 383 V C 2.466 178.615 176.094 0.092 0.000 1.039 383 V CA 1.942 64.287 62.300 0.075 0.000 1.016 383 V CB -0.487 31.373 31.823 0.060 0.000 0.650 383 V HN 0.432 nan 8.190 nan 0.000 0.449 384 L N -0.592 120.721 121.223 0.150 0.000 2.291 384 L HA -0.052 4.303 4.340 0.025 0.000 0.214 384 L C 2.210 179.162 176.870 0.136 0.000 1.120 384 L CA 1.156 56.101 54.840 0.175 0.000 0.799 384 L CB -0.444 41.799 42.059 0.307 0.000 0.925 384 L HN 0.300 nan 8.230 nan 0.000 0.446 385 K N 0.238 120.699 120.400 0.102 0.000 2.444 385 K HA 0.058 4.393 4.320 0.025 0.000 0.193 385 K C -0.043 176.574 176.600 0.029 0.000 1.024 385 K CA 0.303 56.611 56.287 0.035 0.000 1.077 385 K CB 0.178 32.672 32.500 -0.010 0.000 0.833 385 K HN 0.301 nan 8.250 nan 0.000 0.517 386 N N -0.200 118.524 118.700 0.041 0.000 2.628 386 N HA 0.039 4.794 4.740 0.025 0.000 0.299 386 N C 0.263 175.793 175.510 0.032 0.000 1.834 386 N CA -0.079 52.989 53.050 0.030 0.000 0.871 386 N CB 1.346 39.849 38.487 0.026 0.000 1.377 386 N HN -0.208 nan 8.380 nan 0.000 0.493 387 V N -0.450 119.486 119.914 0.036 0.000 2.594 387 V HA -0.098 4.037 4.120 0.025 0.000 0.253 387 V C 2.032 178.141 176.094 0.026 0.000 1.069 387 V CA 2.153 64.473 62.300 0.034 0.000 1.082 387 V CB -0.354 31.491 31.823 0.037 0.000 0.680 387 V HN 0.599 nan 8.190 nan 0.000 0.469 388 G N -1.177 107.636 108.800 0.022 0.000 3.189 388 G HA2 0.058 4.033 3.960 0.025 0.000 0.225 388 G HA3 0.058 4.033 3.960 0.025 0.000 0.225 388 G C 0.596 175.506 174.900 0.016 0.000 1.159 388 G CA 0.584 45.695 45.100 0.017 0.000 0.763 388 G HN 0.426 nan 8.290 nan 0.000 0.549 389 S N 0.437 116.147 115.700 0.017 0.000 2.461 389 S HA 0.311 4.796 4.470 0.025 0.000 0.322 389 S C 1.101 175.711 174.600 0.016 0.000 1.063 389 S CA -0.564 57.645 58.200 0.015 0.000 1.120 389 S CB 0.832 64.041 63.200 0.015 0.000 0.968 389 S HN 0.161 nan 8.310 nan 0.000 0.467 390 E N 3.570 123.779 120.200 0.014 0.000 2.153 390 E HA -0.213 4.152 4.350 0.025 0.000 0.194 390 E C 2.113 178.721 176.600 0.014 0.000 0.988 390 E CA 1.366 57.775 56.400 0.014 0.000 0.811 390 E CB -0.127 29.580 29.700 0.012 0.000 0.746 390 E HN 0.989 nan 8.360 nan 0.000 0.466 391 Q N 0.390 120.197 119.800 0.013 0.000 2.084 391 Q HA -0.076 4.279 4.340 0.025 0.000 0.202 391 Q C 2.159 178.168 176.000 0.014 0.000 0.978 391 Q CA 1.706 57.516 55.803 0.012 0.000 0.844 391 Q CB -0.409 28.335 28.738 0.010 0.000 0.898 391 Q HN 0.130 nan 8.270 nan 0.000 0.426 392 A N 1.809 124.639 122.820 0.016 0.000 1.908 392 A HA -0.113 4.222 4.320 0.025 0.000 0.218 392 A C 2.253 179.851 177.584 0.023 0.000 1.181 392 A CA 1.464 53.512 52.037 0.020 0.000 0.627 392 A CB -0.754 18.259 19.000 0.022 0.000 0.818 392 A HN 0.407 nan 8.150 nan 0.000 0.445 393 L N -1.003 120.233 121.223 0.022 0.000 2.093 393 L HA -0.172 4.183 4.340 0.025 0.000 0.208 393 L C 2.631 179.514 176.870 0.021 0.000 1.085 393 L CA 1.657 56.511 54.840 0.023 0.000 0.755 393 L CB -0.522 41.551 42.059 0.022 0.000 0.904 393 L HN 0.457 nan 8.230 nan 0.000 0.435 394 E N 0.828 121.038 120.200 0.018 0.000 2.072 394 E HA -0.265 4.100 4.350 0.025 0.000 0.191 394 E C 2.023 178.633 176.600 0.016 0.000 0.985 394 E CA 1.455 57.865 56.400 0.016 0.000 0.801 394 E CB -0.028 29.680 29.700 0.014 0.000 0.750 394 E HN 0.419 nan 8.360 nan 0.000 0.452 395 E N -0.371 119.839 120.200 0.016 0.000 2.077 395 E HA -0.231 4.134 4.350 0.025 0.000 0.193 395 E C 1.929 178.540 176.600 0.019 0.000 0.989 395 E CA 1.167 57.577 56.400 0.016 0.000 0.800 395 E CB -0.261 29.449 29.700 0.016 0.000 0.746 395 E HN 0.323 nan 8.360 nan 0.000 0.452 396 A N 1.487 124.321 122.820 0.023 0.000 1.883 396 A HA -0.218 4.117 4.320 0.025 0.000 0.217 396 A C 2.234 179.833 177.584 0.026 0.000 1.186 396 A CA 1.670 53.724 52.037 0.027 0.000 0.624 396 A CB -0.636 18.383 19.000 0.032 0.000 0.822 396 A HN 0.244 nan 8.150 nan 0.000 0.444 397 R N -0.589 119.925 120.500 0.023 0.000 2.083 397 R HA -0.210 4.145 4.340 0.025 0.000 0.237 397 R C 2.462 178.775 176.300 0.021 0.000 1.137 397 R CA 2.057 58.171 56.100 0.023 0.000 0.951 397 R CB -0.308 30.005 30.300 0.020 0.000 0.851 397 R HN 0.720 nan 8.270 nan 0.000 0.434 398 Q N -0.540 119.271 119.800 0.018 0.000 2.084 398 Q HA -0.162 4.192 4.340 0.025 0.000 0.202 398 Q C 2.200 178.208 176.000 0.014 0.000 0.978 398 Q CA 1.606 57.418 55.803 0.015 0.000 0.844 398 Q CB 0.006 28.752 28.738 0.013 0.000 0.898 398 Q HN 0.323 nan 8.270 nan 0.000 0.426 399 R N -0.294 120.214 120.500 0.014 0.000 2.115 399 R HA -0.080 4.275 4.340 0.025 0.000 0.230 399 R C 2.287 178.595 176.300 0.015 0.000 1.111 399 R CA 0.962 57.068 56.100 0.011 0.000 0.976 399 R CB -0.200 30.108 30.300 0.012 0.000 0.870 399 R HN 0.074 nan 8.270 nan 0.000 0.445 400 V N 0.996 120.926 119.914 0.027 0.000 2.295 400 V HA -0.249 3.886 4.120 0.025 0.000 0.246 400 V C 2.412 178.527 176.094 0.035 0.000 1.049 400 V CA 2.034 64.358 62.300 0.041 0.000 1.024 400 V CB -0.700 31.149 31.823 0.043 0.000 0.648 400 V HN 0.413 nan 8.190 nan 0.000 0.447 401 A N -0.044 122.791 122.820 0.026 0.000 1.933 401 A HA -0.133 4.202 4.320 0.025 0.000 0.218 401 A C 2.416 180.010 177.584 0.018 0.000 1.175 401 A CA 2.066 54.117 52.037 0.023 0.000 0.628 401 A CB -0.746 18.268 19.000 0.024 0.000 0.814 401 A HN 0.586 nan 8.150 nan 0.000 0.444 402 A N -0.361 122.463 122.820 0.008 0.000 1.933 402 A HA -0.050 4.285 4.320 0.025 0.000 0.218 402 A C 2.163 179.730 177.584 -0.027 0.000 1.175 402 A CA 1.503 53.536 52.037 -0.007 0.000 0.628 402 A CB -0.528 18.463 19.000 -0.014 0.000 0.814 402 A HN 0.482 nan 8.150 nan 0.000 0.444 403 L N -0.399 120.806 121.223 -0.031 0.000 2.056 403 L HA -0.123 4.232 4.340 0.025 0.000 0.207 403 L C 2.812 179.690 176.870 0.013 0.000 1.078 403 L CA 1.789 56.578 54.840 -0.084 0.000 0.749 403 L CB -0.478 41.547 42.059 -0.058 0.000 0.901 403 L HN 0.652 nan 8.230 nan 0.000 0.433 404 T N -5.173 109.417 114.554 0.059 0.000 3.065 404 T HA 0.121 4.486 4.350 0.025 0.000 0.252 404 T C -0.066 174.607 174.700 -0.044 0.000 1.099 404 T CA -0.283 61.817 62.100 -0.000 0.000 1.063 404 T CB 0.138 68.941 68.868 -0.109 0.000 0.948 404 T HN 0.219 nan 8.240 nan 0.000 0.506 405 D N -0.895 119.522 120.400 0.028 0.000 10.594 405 D HA 0.299 4.954 4.640 0.025 0.000 0.330 405 D C -0.108 176.247 176.300 0.092 0.000 3.155 405 D CA 1.150 55.194 54.000 0.073 0.000 2.720 405 D CB -0.990 39.883 40.800 0.122 0.000 1.258 405 D HN 0.790 nan 8.370 nan 0.000 0.953 406 G N 0.000 108.843 108.800 0.071 0.000 5.446 406 G HA2 0.000 3.975 3.960 0.025 0.000 0.244 406 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 406 G CA 0.000 nan 45.100 nan 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925