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 2w7i_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY AGGCEYVDIV 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 AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.231 176.300 -0.116 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.685 32.600 0.142 0.000 1.302 2 K N 0.276 120.557 120.400 -0.199 0.000 2.585 2 K HA 0.240 4.578 4.320 0.030 0.000 0.198 2 K C 0.550 176.855 176.600 -0.493 0.000 1.403 2 K CA 0.460 56.496 56.287 -0.419 0.000 1.021 2 K CB 0.619 32.750 32.500 -0.615 0.000 1.558 2 K HN 0.664 nan 8.250 nan 0.000 0.524 3 Y N 0.626 120.859 120.300 -0.112 0.000 2.510 3 Y HA 0.069 4.624 4.550 0.008 0.000 0.273 3 Y C 1.742 177.570 175.900 -0.119 0.000 1.119 3 Y CA 0.028 58.067 58.100 -0.102 0.000 1.286 3 Y CB 0.250 38.671 38.460 -0.065 0.000 1.061 3 Y HN 0.058 nan 8.280 nan 0.000 0.542 4 L N 1.272 122.483 121.223 -0.021 0.000 2.131 4 L HA 0.072 4.430 4.340 0.030 0.000 0.206 4 L C -0.943 175.800 176.870 -0.211 0.000 1.087 4 L CA 1.385 56.199 54.840 -0.044 0.000 0.767 4 L CB -1.345 40.753 42.059 0.065 0.000 0.917 4 L HN -0.058 nan 8.230 nan 0.000 0.441 5 P HA -0.192 nan 4.420 nan 0.000 0.218 5 P C 1.355 178.478 177.300 -0.295 0.000 1.148 5 P CA 1.233 63.856 63.100 -0.795 0.000 0.822 5 P CB 0.139 31.195 31.700 -1.072 0.000 0.784 6 Q N -0.617 119.059 119.800 -0.206 0.000 2.123 6 Q HA -0.140 4.218 4.340 0.030 0.000 0.196 6 Q C 2.324 178.299 176.000 -0.042 0.000 0.958 6 Q CA 1.407 57.150 55.803 -0.099 0.000 0.841 6 Q CB -0.682 28.011 28.738 -0.075 0.000 0.915 6 Q HN 0.038 nan 8.270 nan 0.000 0.455 7 Q N 0.193 119.979 119.800 -0.023 0.000 2.020 7 Q HA -0.049 4.309 4.340 0.030 0.000 0.198 7 Q C -0.286 175.720 176.000 0.010 0.000 0.974 7 Q CA 1.567 57.373 55.803 0.004 0.000 0.829 7 Q CB 0.279 29.029 28.738 0.021 0.000 0.894 7 Q HN 0.162 nan 8.270 nan 0.000 0.433 8 D N -1.165 119.247 120.400 0.020 0.000 2.378 8 D HA 0.214 4.872 4.640 0.030 0.000 0.265 8 D C -2.213 174.138 176.300 0.085 0.000 1.229 8 D CA -1.845 52.182 54.000 0.046 0.000 0.914 8 D CB 1.441 42.272 40.800 0.052 0.000 1.140 8 D HN 0.028 nan 8.370 nan 0.000 0.516 9 P HA -0.115 nan 4.420 nan 0.000 0.217 9 P C 1.363 178.744 177.300 0.134 0.000 1.150 9 P CA 1.105 64.276 63.100 0.119 0.000 0.832 9 P CB 0.560 32.302 31.700 0.070 0.000 0.787 10 Q N -0.810 119.039 119.800 0.083 0.000 2.084 10 Q HA -0.100 4.258 4.340 0.030 0.000 0.202 10 Q C 2.069 178.105 176.000 0.060 0.000 0.978 10 Q CA 1.257 57.096 55.803 0.059 0.000 0.844 10 Q CB -0.640 28.121 28.738 0.038 0.000 0.898 10 Q HN 0.124 nan 8.270 nan 0.000 0.426 11 V N 0.114 120.075 119.914 0.079 0.000 2.407 11 V HA -0.196 3.942 4.120 0.030 0.000 0.245 11 V C 1.825 177.979 176.094 0.099 0.000 1.041 11 V CA 1.422 63.766 62.300 0.073 0.000 1.040 11 V CB -0.491 31.375 31.823 0.071 0.000 0.671 11 V HN 0.315 nan 8.190 nan 0.000 0.455 12 F N 1.713 121.665 119.950 0.003 0.000 2.171 12 F HA -0.137 4.396 4.527 0.011 0.000 0.300 12 F C 2.245 178.045 175.800 -0.000 0.000 1.090 12 F CA 1.355 59.356 58.000 0.001 0.000 1.293 12 F CB -0.481 38.519 39.000 -0.000 0.000 1.013 12 F HN 0.077 nan 8.300 nan 0.000 0.486 13 A N 0.288 123.090 122.820 -0.030 0.000 1.933 13 A HA -0.037 4.301 4.320 0.030 0.000 0.218 13 A C 2.390 179.889 177.584 -0.142 0.000 1.175 13 A CA 1.704 53.672 52.037 -0.115 0.000 0.628 13 A CB -1.492 17.510 19.000 0.004 0.000 0.814 13 A HN 0.482 nan 8.150 nan 0.000 0.444 14 A N -0.344 122.426 122.820 -0.083 0.000 1.968 14 A HA 0.049 4.387 4.320 0.030 0.000 0.217 14 A C 2.072 179.600 177.584 -0.094 0.000 1.169 14 A CA 1.262 53.259 52.037 -0.067 0.000 0.638 14 A CB -0.491 18.492 19.000 -0.028 0.000 0.812 14 A HN 0.485 nan 8.150 nan 0.000 0.446 15 I N -0.443 120.048 120.570 -0.131 0.000 2.252 15 I HA -0.171 4.017 4.170 0.030 0.000 0.245 15 I C 2.333 178.328 176.117 -0.204 0.000 1.102 15 I CA 1.031 62.249 61.300 -0.136 0.000 1.385 15 I CB -0.267 37.672 38.000 -0.103 0.000 1.064 15 I HN 0.259 nan 8.210 nan 0.000 0.414 16 E N 0.654 120.633 120.200 -0.369 0.000 2.150 16 E HA -0.227 4.141 4.350 0.030 0.000 0.193 16 E C 2.138 178.627 176.600 -0.184 0.000 0.985 16 E CA 1.088 57.278 56.400 -0.349 0.000 0.814 16 E CB -0.200 29.175 29.700 -0.541 0.000 0.752 16 E HN 0.586 nan 8.360 nan 0.000 0.466 17 Q N 0.304 120.016 119.800 -0.146 0.000 2.050 17 Q HA -0.201 4.156 4.340 0.030 0.000 0.202 17 Q C 2.117 178.089 176.000 -0.048 0.000 0.980 17 Q CA 1.582 57.339 55.803 -0.078 0.000 0.840 17 Q CB -0.070 28.632 28.738 -0.059 0.000 0.898 17 Q HN 0.081 nan 8.270 nan 0.000 0.424 18 E N 0.948 121.119 120.200 -0.048 0.000 2.106 18 E HA -0.179 4.189 4.350 0.030 0.000 0.192 18 E C 1.792 178.395 176.600 0.005 0.000 0.984 18 E CA 1.190 57.582 56.400 -0.014 0.000 0.806 18 E CB -0.031 29.660 29.700 -0.014 0.000 0.750 18 E HN 0.147 nan 8.360 nan 0.000 0.458 19 R N 0.093 120.579 120.500 -0.025 0.000 2.081 19 R HA -0.099 4.259 4.340 0.030 0.000 0.235 19 R C 2.024 178.328 176.300 0.005 0.000 1.131 19 R CA 1.779 57.873 56.100 -0.011 0.000 0.960 19 R CB -0.005 30.263 30.300 -0.053 0.000 0.856 19 R HN 0.054 nan 8.270 nan 0.000 0.436 20 K N -0.446 119.944 120.400 -0.016 0.000 2.155 20 K HA -0.073 4.265 4.320 0.030 0.000 0.203 20 K C 2.194 178.830 176.600 0.061 0.000 1.052 20 K CA 0.792 57.082 56.287 0.006 0.000 0.948 20 K CB -0.075 32.408 32.500 -0.027 0.000 0.728 20 K HN 0.084 nan 8.250 nan 0.000 0.448 21 R N 1.417 121.943 120.500 0.044 0.000 2.081 21 R HA -0.155 4.203 4.340 0.030 0.000 0.235 21 R C 1.962 178.314 176.300 0.087 0.000 1.131 21 R CA 1.604 57.737 56.100 0.056 0.000 0.960 21 R CB 0.011 30.334 30.300 0.038 0.000 0.856 21 R HN 0.277 nan 8.270 nan 0.000 0.436 22 Q N -1.436 118.432 119.800 0.113 0.000 2.226 22 Q HA -0.212 4.146 4.340 0.030 0.000 0.204 22 Q C 1.742 177.796 176.000 0.089 0.000 0.975 22 Q CA 1.702 57.614 55.803 0.182 0.000 0.866 22 Q CB -0.069 28.831 28.738 0.269 0.000 0.915 22 Q HN 0.526 nan 8.270 nan 0.000 0.440 23 H N -0.412 118.637 119.070 -0.035 0.000 2.384 23 H HA 0.111 4.685 4.556 0.029 0.000 0.300 23 H C 1.840 177.155 175.328 -0.021 0.000 1.057 23 H CA 1.299 57.303 56.048 -0.073 0.000 1.370 23 H CB 0.126 29.849 29.762 -0.065 0.000 1.417 23 H HN 0.199 nan 8.280 nan 0.000 0.527 24 A N 1.017 123.898 122.820 0.102 0.000 1.968 24 A HA 0.022 4.360 4.320 0.030 0.000 0.217 24 A C 0.922 178.517 177.584 0.020 0.000 1.169 24 A CA 0.632 52.708 52.037 0.065 0.000 0.638 24 A CB -0.006 19.047 19.000 0.087 0.000 0.812 24 A HN 0.181 nan 8.150 nan 0.000 0.446 25 K N -0.403 120.012 120.400 0.026 0.000 2.090 25 K HA 0.540 4.878 4.320 0.030 0.000 0.249 25 K C -0.844 175.762 176.600 0.009 0.000 0.995 25 K CA -0.451 55.851 56.287 0.026 0.000 0.914 25 K CB 1.096 33.620 32.500 0.040 0.000 1.057 25 K HN 0.208 nan 8.250 nan 0.000 0.462 26 I N 1.924 122.496 120.570 0.004 0.000 2.291 26 I HA 0.035 4.223 4.170 0.030 0.000 0.290 26 I C 0.290 176.392 176.117 -0.025 0.000 1.050 26 I CA -0.565 60.713 61.300 -0.038 0.000 1.245 26 I CB 0.772 38.760 38.000 -0.020 0.000 1.405 26 I HN 0.428 nan 8.210 nan 0.000 0.478 27 E N 7.123 127.319 120.200 -0.006 0.000 2.129 27 E HA 0.224 4.592 4.350 0.030 0.000 0.283 27 E C -0.131 176.447 176.600 -0.036 0.000 1.080 27 E CA 0.255 56.658 56.400 0.006 0.000 0.867 27 E CB 0.575 30.307 29.700 0.054 0.000 1.056 27 E HN 0.578 nan 8.360 nan 0.000 0.404 28 L N 5.095 126.300 121.223 -0.031 0.000 2.959 28 L HA 0.354 4.712 4.340 0.030 0.000 0.259 28 L C 0.054 176.915 176.870 -0.015 0.000 1.185 28 L CA -0.331 54.490 54.840 -0.030 0.000 0.998 28 L CB 0.246 42.283 42.059 -0.037 0.000 1.337 28 L HN 0.544 nan 8.230 nan 0.000 0.555 29 I N 0.785 121.350 120.570 -0.010 0.000 2.517 29 I HA 0.009 4.197 4.170 0.030 0.000 0.285 29 I C 1.602 177.753 176.117 0.058 0.000 1.106 29 I CA -0.003 61.306 61.300 0.016 0.000 1.402 29 I CB 1.584 39.591 38.000 0.012 0.000 1.399 29 I HN 0.129 nan 8.210 nan 0.000 0.535 30 A N 4.456 127.341 122.820 0.108 0.000 2.070 30 A HA -0.153 4.185 4.320 0.030 0.000 0.220 30 A C 2.110 179.907 177.584 0.355 0.000 1.159 30 A CA 1.844 54.019 52.037 0.230 0.000 0.656 30 A CB -0.440 18.649 19.000 0.148 0.000 0.800 30 A HN 0.810 nan 8.150 nan 0.000 0.453 31 S N -0.802 115.060 115.700 0.269 0.000 2.575 31 S HA 0.144 4.632 4.470 0.030 0.000 0.215 31 S C 0.230 174.848 174.600 0.029 0.000 0.966 31 S CA -0.353 57.900 58.200 0.089 0.000 0.911 31 S CB 0.096 63.343 63.200 0.079 0.000 0.780 31 S HN 0.448 nan 8.310 nan 0.000 0.514 32 E N 1.958 122.161 120.200 0.003 0.000 2.222 32 E HA 0.555 4.923 4.350 0.030 0.000 0.272 32 E C -0.609 175.886 176.600 -0.175 0.000 0.982 32 E CA -0.445 55.890 56.400 -0.107 0.000 0.842 32 E CB 1.147 30.749 29.700 -0.165 0.000 1.144 32 E HN 0.236 nan 8.360 nan 0.000 0.397 33 N N 0.529 119.042 118.700 -0.311 0.000 3.116 33 N HA 0.361 5.119 4.740 0.030 0.000 0.244 33 N C -1.843 173.344 175.510 -0.539 0.000 1.485 33 N CA -0.524 52.333 53.050 -0.322 0.000 0.884 33 N CB 0.997 39.461 38.487 -0.038 0.000 1.415 33 N HN 0.185 nan 8.380 nan 0.000 0.524 34 F N 1.061 121.031 119.950 0.033 0.000 2.427 34 F HA 0.364 4.904 4.527 0.022 0.000 0.348 34 F C 0.728 176.528 175.800 0.000 0.000 1.125 34 F CA -0.870 57.137 58.000 0.012 0.000 0.989 34 F CB 1.232 40.235 39.000 0.006 0.000 1.165 34 F HN 0.120 nan 8.300 nan 0.000 0.442 35 V N 0.435 120.437 119.914 0.146 0.000 3.003 35 V HA 0.573 4.711 4.120 0.030 0.000 0.305 35 V C 0.448 176.583 176.094 0.068 0.000 1.078 35 V CA -0.908 61.437 62.300 0.075 0.000 1.083 35 V CB 1.017 32.861 31.823 0.034 0.000 1.039 35 V HN 0.828 nan 8.190 nan 0.000 0.481 36 S N 2.967 118.684 115.700 0.029 0.000 2.600 36 S HA 0.286 4.774 4.470 0.030 0.000 0.265 36 S C 0.884 175.493 174.600 0.016 0.000 1.325 36 S CA -0.114 58.096 58.200 0.017 0.000 1.002 36 S CB 0.541 63.740 63.200 -0.001 0.000 0.921 36 S HN 0.751 nan 8.310 nan 0.000 0.554 37 R N 0.860 121.368 120.500 0.014 0.000 2.148 37 R HA -0.028 4.330 4.340 0.030 0.000 0.227 37 R C 2.431 178.735 176.300 0.006 0.000 1.103 37 R CA 1.186 57.294 56.100 0.013 0.000 0.983 37 R CB -0.791 29.516 30.300 0.011 0.000 0.874 37 R HN 0.810 nan 8.270 nan 0.000 0.451 38 A N 0.497 123.316 122.820 -0.002 0.000 1.929 38 A HA -0.065 4.273 4.320 0.030 0.000 0.216 38 A C 2.270 179.844 177.584 -0.017 0.000 1.176 38 A CA 0.977 53.009 52.037 -0.009 0.000 0.628 38 A CB -0.322 18.670 19.000 -0.014 0.000 0.816 38 A HN 0.097 nan 8.150 nan 0.000 0.444 39 V N 0.238 120.138 119.914 -0.023 0.000 2.343 39 V HA -0.328 3.810 4.120 0.030 0.000 0.247 39 V C 2.660 178.742 176.094 -0.020 0.000 1.051 39 V CA 2.295 64.573 62.300 -0.037 0.000 1.036 39 V CB -0.723 31.073 31.823 -0.045 0.000 0.654 39 V HN 0.575 nan 8.190 nan 0.000 0.451 40 M N -0.769 118.830 119.600 -0.002 0.000 2.132 40 M HA -0.192 4.306 4.480 0.030 0.000 0.263 40 M C 2.185 178.494 176.300 0.015 0.000 1.065 40 M CA 1.801 57.108 55.300 0.011 0.000 1.122 40 M CB -0.608 32.005 32.600 0.021 0.000 1.365 40 M HN 0.351 nan 8.290 nan 0.000 0.411 41 E N 0.612 120.819 120.200 0.011 0.000 2.160 41 E HA -0.166 4.202 4.350 0.030 0.000 0.195 41 E C 2.063 178.670 176.600 0.012 0.000 0.991 41 E CA 1.213 57.620 56.400 0.012 0.000 0.810 41 E CB -0.127 29.578 29.700 0.008 0.000 0.742 41 E HN 0.515 nan 8.360 nan 0.000 0.466 42 A N 0.878 123.702 122.820 0.006 0.000 1.969 42 A HA -0.187 4.151 4.320 0.030 0.000 0.218 42 A C 1.952 179.563 177.584 0.044 0.000 1.169 42 A CA 1.039 53.082 52.037 0.010 0.000 0.635 42 A CB -0.160 18.830 19.000 -0.016 0.000 0.810 42 A HN 0.167 nan 8.150 nan 0.000 0.445 43 Q N -1.047 118.783 119.800 0.050 0.000 2.331 43 Q HA -0.011 4.347 4.340 0.030 0.000 0.203 43 Q C 1.618 177.684 176.000 0.110 0.000 0.944 43 Q CA 0.724 56.600 55.803 0.122 0.000 0.892 43 Q CB -0.076 28.709 28.738 0.079 0.000 0.983 43 Q HN 0.640 nan 8.270 nan 0.000 0.482 44 G N 1.035 109.862 108.800 0.045 0.000 3.383 44 G HA2 0.033 4.011 3.960 0.030 0.000 0.251 44 G HA3 0.033 4.011 3.960 0.030 0.000 0.251 44 G C 0.267 175.161 174.900 -0.011 0.000 1.203 44 G CA -0.058 45.049 45.100 0.010 0.000 0.852 44 G HN 0.230 nan 8.290 nan 0.000 0.531 45 S N -0.791 114.906 115.700 -0.004 0.000 2.693 45 S HA 0.305 4.793 4.470 0.030 0.000 0.276 45 S C 1.488 176.056 174.600 -0.054 0.000 1.192 45 S CA 0.008 58.200 58.200 -0.014 0.000 0.994 45 S CB 1.597 64.805 63.200 0.012 0.000 1.012 45 S HN 0.532 nan 8.310 nan 0.000 0.550 46 V N -0.806 119.081 119.914 -0.045 0.000 3.383 46 V HA 0.068 4.206 4.120 0.030 0.000 0.272 46 V C 1.494 177.558 176.094 -0.049 0.000 1.181 46 V CA 0.809 63.074 62.300 -0.058 0.000 1.171 46 V CB -1.379 30.419 31.823 -0.041 0.000 0.800 46 V HN 0.688 nan 8.190 nan 0.000 0.515 47 L N 1.035 122.248 121.223 -0.018 0.000 2.633 47 L HA -0.021 4.337 4.340 0.030 0.000 0.235 47 L C 2.583 179.469 176.870 0.026 0.000 1.163 47 L CA 2.095 56.951 54.840 0.027 0.000 0.859 47 L CB -1.188 40.916 42.059 0.075 0.000 0.973 47 L HN 0.539 nan 8.230 nan 0.000 0.451 48 T N -1.616 112.855 114.554 -0.138 0.000 3.023 48 T HA -0.070 4.298 4.350 0.030 0.000 0.266 48 T C 1.520 176.134 174.700 -0.144 0.000 1.093 48 T CA 1.193 63.130 62.100 -0.271 0.000 1.129 48 T CB -0.263 68.188 68.868 -0.695 0.000 0.899 48 T HN 0.478 nan 8.240 nan 0.000 0.491 49 N N 0.172 118.815 118.700 -0.096 0.000 2.515 49 N HA 0.060 4.818 4.740 0.030 0.000 0.185 49 N C 0.192 175.692 175.510 -0.017 0.000 1.109 49 N CA 0.178 53.195 53.050 -0.054 0.000 0.903 49 N CB 0.200 38.663 38.487 -0.039 0.000 0.969 49 N HN 0.113 nan 8.380 nan 0.000 0.450 50 K N 0.632 121.019 120.400 -0.020 0.000 2.265 50 K HA 0.191 4.529 4.320 0.030 0.000 0.267 50 K C -1.560 175.027 176.600 -0.021 0.000 0.994 50 K CA -0.580 55.715 56.287 0.013 0.000 0.860 50 K CB 0.351 32.867 32.500 0.027 0.000 1.099 50 K HN -0.082 nan 8.250 nan 0.000 0.448 51 Y N 2.387 122.678 120.300 -0.016 0.000 2.393 51 Y HA 0.341 4.913 4.550 0.037 0.000 0.338 51 Y C 0.464 176.331 175.900 -0.056 0.000 1.029 51 Y CA 0.283 58.360 58.100 -0.038 0.000 1.239 51 Y CB 1.380 39.818 38.460 -0.037 0.000 1.170 51 Y HN 0.729 nan 8.280 nan 0.000 0.515 52 A N 4.424 127.277 122.820 0.055 0.000 2.956 52 A HA 0.246 4.584 4.320 0.030 0.000 0.294 52 A C -0.091 177.421 177.584 -0.121 0.000 0.993 52 A CA -0.554 51.472 52.037 -0.019 0.000 1.032 52 A CB -0.402 18.565 19.000 -0.056 0.000 1.129 52 A HN 0.782 nan 8.150 nan 0.000 0.505 53 E N 0.619 120.757 120.200 -0.104 0.000 2.498 53 E HA 0.349 4.717 4.350 0.030 0.000 0.252 53 E C 0.978 177.357 176.600 -0.368 0.000 1.025 53 E CA 1.341 57.452 56.400 -0.480 0.000 0.938 53 E CB 0.360 29.780 29.700 -0.467 0.000 0.947 53 E HN 0.898 nan 8.360 nan 0.000 0.478 54 G N 2.732 111.167 108.800 -0.609 0.000 2.337 54 G HA2 -0.175 3.803 3.960 0.030 0.000 0.197 54 G HA3 -0.175 3.803 3.960 0.030 0.000 0.197 54 G C -1.565 173.110 174.900 -0.376 0.000 1.238 54 G CA -0.869 44.180 45.100 -0.085 0.000 1.119 54 G HN 0.434 nan 8.290 nan 0.000 0.514 55 Y N -0.006 120.347 120.300 0.089 0.000 2.609 55 Y HA 0.599 5.168 4.550 0.031 0.000 0.342 55 Y C -2.108 173.814 175.900 0.037 0.000 1.058 55 Y CA -1.844 56.296 58.100 0.067 0.000 1.055 55 Y CB 2.226 40.749 38.460 0.105 0.000 1.292 55 Y HN 0.400 nan 8.280 nan 0.000 0.476 56 P HA 0.041 nan 4.420 nan 0.000 0.258 56 P C 0.668 178.019 177.300 0.084 0.000 1.172 56 P CA 2.302 65.465 63.100 0.104 0.000 0.762 56 P CB 0.179 31.939 31.700 0.101 0.000 0.764 57 G N 3.665 112.489 108.800 0.040 0.000 2.363 57 G HA2 -0.260 3.718 3.960 0.030 0.000 0.238 57 G HA3 -0.260 3.718 3.960 0.030 0.000 0.238 57 G C 0.537 175.442 174.900 0.009 0.000 1.062 57 G CA -0.360 44.751 45.100 0.018 0.000 0.629 57 G HN 0.532 nan 8.290 nan 0.000 0.514 58 R N 1.095 121.618 120.500 0.039 0.000 3.220 58 R HA 0.345 4.702 4.340 0.030 0.000 0.324 58 R C 0.272 176.559 176.300 -0.022 0.000 1.283 58 R CA -0.384 55.719 56.100 0.005 0.000 1.387 58 R CB 0.338 30.676 30.300 0.062 0.000 1.413 58 R HN 0.316 nan 8.270 nan 0.000 0.610 59 R N 0.118 120.590 120.500 -0.047 0.000 2.500 59 R HA 0.215 4.573 4.340 0.030 0.000 0.277 59 R C 0.534 176.774 176.300 -0.101 0.000 1.026 59 R CA -0.453 55.633 56.100 -0.023 0.000 1.058 59 R CB 0.554 30.853 30.300 -0.002 0.000 1.078 59 R HN 0.254 nan 8.270 nan 0.000 0.509 60 Y N -0.514 119.787 120.300 0.002 0.000 2.461 60 Y HA 0.300 4.867 4.550 0.029 0.000 0.277 60 Y C 0.772 176.669 175.900 -0.005 0.000 1.182 60 Y CA 0.089 58.201 58.100 0.020 0.000 1.276 60 Y CB 0.775 39.265 38.460 0.050 0.000 1.087 60 Y HN 0.584 nan 8.280 nan 0.000 0.519 61 A N -0.681 122.194 122.820 0.090 0.000 2.572 61 A HA 0.721 5.059 4.320 0.030 0.000 0.295 61 A C 0.126 177.720 177.584 0.016 0.000 1.072 61 A CA -0.318 51.747 52.037 0.048 0.000 0.691 61 A CB 0.338 19.367 19.000 0.048 0.000 1.291 61 A HN 0.184 nan 8.150 nan 0.000 0.404 62 G N -0.826 107.978 108.800 0.006 0.000 2.588 62 G HA2 0.551 4.529 3.960 0.030 0.000 0.281 62 G HA3 0.551 4.529 3.960 0.030 0.000 0.281 62 G C 1.082 175.975 174.900 -0.012 0.000 1.236 62 G CA 0.075 45.168 45.100 -0.011 0.000 0.969 62 G HN 2.434 nan 8.290 nan 0.000 0.504 63 G N -2.484 106.295 108.800 -0.036 0.000 2.147 63 G HA2 -0.271 3.707 3.960 0.030 0.000 0.244 63 G HA3 -0.271 3.707 3.960 0.030 0.000 0.244 63 G C 0.797 175.665 174.900 -0.053 0.000 1.005 63 G CA 0.515 45.592 45.100 -0.038 0.000 0.713 63 G HN 0.899 nan 8.290 nan 0.000 0.515 64 C N -0.033 119.220 119.300 -0.079 0.000 2.855 64 C HA 0.338 4.815 4.460 0.030 0.000 0.279 64 C C 2.273 177.180 174.990 -0.138 0.000 1.270 64 C CA 0.380 59.358 59.018 -0.068 0.000 1.702 64 C CB -0.297 27.422 27.740 -0.035 0.000 1.949 64 C HN 0.642 nan 8.230 nan 0.000 0.618 65 E N 0.959 120.980 120.200 -0.298 0.000 2.114 65 E HA -0.233 4.135 4.350 0.030 0.000 0.199 65 E C 1.096 177.473 176.600 -0.372 0.000 1.008 65 E CA 1.964 58.097 56.400 -0.446 0.000 0.810 65 E CB -0.259 28.967 29.700 -0.790 0.000 0.739 65 E HN 0.819 nan 8.360 nan 0.000 0.456 66 Y N -1.201 119.106 120.300 0.010 0.000 2.503 66 Y HA 0.040 4.608 4.550 0.030 0.000 0.277 66 Y C 2.159 178.064 175.900 0.009 0.000 1.102 66 Y CA 0.241 58.346 58.100 0.009 0.000 1.261 66 Y CB 0.042 38.505 38.460 0.006 0.000 1.096 66 Y HN 0.008 nan 8.280 nan 0.000 0.546 67 V N -2.377 117.607 119.914 0.117 0.000 2.667 67 V HA -0.135 4.003 4.120 0.030 0.000 0.252 67 V C 1.313 177.433 176.094 0.043 0.000 1.065 67 V CA 1.700 64.041 62.300 0.069 0.000 1.083 67 V CB -0.371 31.479 31.823 0.045 0.000 0.692 67 V HN 0.136 nan 8.190 nan 0.000 0.468 68 D N 1.211 121.626 120.400 0.025 0.000 2.117 68 D HA -0.072 4.586 4.640 0.030 0.000 0.197 68 D C 2.073 178.399 176.300 0.044 0.000 0.987 68 D CA 1.890 55.905 54.000 0.026 0.000 0.829 68 D CB -0.288 40.513 40.800 0.002 0.000 0.961 68 D HN 0.515 nan 8.370 nan 0.000 0.460 69 I N 0.303 120.906 120.570 0.055 0.000 2.208 69 I HA -0.249 3.939 4.170 0.030 0.000 0.245 69 I C 2.383 178.537 176.117 0.063 0.000 1.097 69 I CA 0.643 61.983 61.300 0.067 0.000 1.363 69 I CB -0.217 37.843 38.000 0.099 0.000 1.051 69 I HN -0.093 nan 8.210 nan 0.000 0.413 70 V N 0.594 120.546 119.914 0.064 0.000 2.261 70 V HA -0.324 3.814 4.120 0.030 0.000 0.246 70 V C 2.496 178.619 176.094 0.049 0.000 1.047 70 V CA 2.285 64.615 62.300 0.050 0.000 1.015 70 V CB -0.616 31.233 31.823 0.043 0.000 0.642 70 V HN 0.476 nan 8.190 nan 0.000 0.446 71 E N -0.480 119.750 120.200 0.049 0.000 2.110 71 E HA -0.225 4.143 4.350 0.030 0.000 0.193 71 E C 2.293 178.937 176.600 0.074 0.000 0.988 71 E CA 1.069 57.505 56.400 0.060 0.000 0.804 71 E CB -0.000 29.734 29.700 0.057 0.000 0.745 71 E HN 0.517 nan 8.360 nan 0.000 0.458 72 E N 0.549 120.788 120.200 0.065 0.000 2.051 72 E HA -0.188 4.180 4.350 0.030 0.000 0.192 72 E C 2.295 178.931 176.600 0.059 0.000 0.991 72 E CA 0.775 57.210 56.400 0.058 0.000 0.799 72 E CB -0.257 29.473 29.700 0.050 0.000 0.748 72 E HN 0.367 nan 8.360 nan 0.000 0.449 73 L N 0.409 121.669 121.223 0.063 0.000 2.042 73 L HA -0.219 4.139 4.340 0.030 0.000 0.210 73 L C 2.536 179.475 176.870 0.115 0.000 1.076 73 L CA 1.318 56.200 54.840 0.070 0.000 0.749 73 L CB -0.473 41.621 42.059 0.058 0.000 0.893 73 L HN 0.079 nan 8.230 nan 0.000 0.432 74 A N -0.172 122.732 122.820 0.141 0.000 1.902 74 A HA -0.186 4.152 4.320 0.030 0.000 0.217 74 A C 2.386 180.118 177.584 0.247 0.000 1.181 74 A CA 1.406 53.609 52.037 0.276 0.000 0.623 74 A CB -0.409 18.714 19.000 0.205 0.000 0.818 74 A HN 0.326 nan 8.150 nan 0.000 0.443 75 R N -0.731 119.836 120.500 0.111 0.000 2.090 75 R HA -0.054 4.304 4.340 0.030 0.000 0.228 75 R C 1.945 178.232 176.300 -0.022 0.000 1.110 75 R CA 1.178 57.288 56.100 0.017 0.000 0.973 75 R CB -0.208 30.084 30.300 -0.013 0.000 0.869 75 R HN 0.446 nan 8.270 nan 0.000 0.440 76 E N 0.707 120.912 120.200 0.008 0.000 2.072 76 E HA -0.112 4.256 4.350 0.030 0.000 0.190 76 E C 2.005 178.590 176.600 -0.025 0.000 0.982 76 E CA 1.023 57.419 56.400 -0.006 0.000 0.803 76 E CB -0.068 29.639 29.700 0.012 0.000 0.755 76 E HN 0.267 nan 8.360 nan 0.000 0.453 77 R N 0.579 121.079 120.500 -0.001 0.000 2.092 77 R HA -0.013 4.345 4.340 0.030 0.000 0.231 77 R C 2.326 178.513 176.300 -0.188 0.000 1.119 77 R CA 1.170 57.253 56.100 -0.029 0.000 0.970 77 R CB -0.300 30.063 30.300 0.105 0.000 0.864 77 R HN 0.105 nan 8.270 nan 0.000 0.440 78 A N 1.515 124.145 122.820 -0.316 0.000 1.902 78 A HA -0.192 4.145 4.320 0.030 0.000 0.217 78 A C 1.871 179.375 177.584 -0.133 0.000 1.181 78 A CA 1.402 53.170 52.037 -0.448 0.000 0.623 78 A CB -0.243 18.459 19.000 -0.497 0.000 0.818 78 A HN 0.195 nan 8.150 nan 0.000 0.443 79 K N -0.672 119.671 120.400 -0.095 0.000 2.097 79 K HA -0.133 4.205 4.320 0.030 0.000 0.205 79 K C 2.330 178.902 176.600 -0.045 0.000 1.050 79 K CA 1.413 57.678 56.287 -0.037 0.000 0.938 79 K CB -0.178 32.301 32.500 -0.034 0.000 0.718 79 K HN 0.597 nan 8.250 nan 0.000 0.442 80 Q N 0.508 120.261 119.800 -0.078 0.000 2.084 80 Q HA -0.155 4.203 4.340 0.030 0.000 0.202 80 Q C 2.154 178.072 176.000 -0.137 0.000 0.978 80 Q CA 1.079 56.832 55.803 -0.083 0.000 0.844 80 Q CB -0.066 28.627 28.738 -0.074 0.000 0.898 80 Q HN 0.157 nan 8.270 nan 0.000 0.426 81 L N -0.880 120.191 121.223 -0.253 0.000 2.109 81 L HA -0.090 4.268 4.340 0.030 0.000 0.207 81 L C 1.201 177.739 176.870 -0.554 0.000 1.086 81 L CA 1.677 56.232 54.840 -0.476 0.000 0.760 81 L CB 0.043 41.647 42.059 -0.759 0.000 0.910 81 L HN 0.102 nan 8.230 nan 0.000 0.437 82 F N -0.976 118.918 119.950 -0.094 0.000 2.706 82 F HA 0.421 4.965 4.527 0.027 0.000 0.308 82 F C 1.750 177.516 175.800 -0.057 0.000 1.095 82 F CA 0.199 58.157 58.000 -0.071 0.000 1.244 82 F CB -0.199 38.740 39.000 -0.102 0.000 1.063 82 F HN 0.047 nan 8.300 nan 0.000 0.582 83 G N 1.148 109.991 108.800 0.072 0.000 2.179 83 G HA2 -0.137 3.840 3.960 0.030 0.000 0.257 83 G HA3 -0.137 3.840 3.960 0.030 0.000 0.257 83 G C 0.352 175.271 174.900 0.032 0.000 1.010 83 G CA 0.072 45.192 45.100 0.034 0.000 0.736 83 G HN 0.651 nan 8.290 nan 0.000 0.513 84 A N -0.690 122.159 122.820 0.049 0.000 2.322 84 A HA 0.739 5.077 4.320 0.030 0.000 0.269 84 A C 1.085 178.686 177.584 0.029 0.000 1.094 84 A CA 0.594 52.650 52.037 0.031 0.000 0.807 84 A CB 0.514 19.530 19.000 0.026 0.000 1.047 84 A HN 0.405 nan 8.150 nan 0.000 0.487 85 E N -0.729 119.498 120.200 0.044 0.000 2.170 85 E HA -0.015 4.353 4.350 0.030 0.000 0.191 85 E C -0.120 176.554 176.600 0.122 0.000 0.981 85 E CA 0.885 57.322 56.400 0.061 0.000 0.830 85 E CB 0.094 29.824 29.700 0.051 0.000 0.775 85 E HN 0.759 nan 8.360 nan 0.000 0.470 86 H N -1.063 118.017 119.070 0.018 0.000 2.961 86 H HA 0.588 5.163 4.556 0.031 0.000 0.371 86 H C -1.752 173.590 175.328 0.023 0.000 1.190 86 H CA -0.574 55.487 56.048 0.022 0.000 1.138 86 H CB 1.809 31.592 29.762 0.034 0.000 1.816 86 H HN -0.005 nan 8.280 nan 0.000 0.551 87 A N 3.591 126.039 122.820 -0.620 0.000 2.449 87 A HA 0.466 4.803 4.320 0.030 0.000 0.302 87 A C -1.356 175.997 177.584 -0.385 0.000 1.048 87 A CA -0.837 50.995 52.037 -0.341 0.000 0.708 87 A CB 1.461 20.344 19.000 -0.194 0.000 1.274 87 A HN 0.693 nan 8.150 nan 0.000 0.410 88 N N 1.725 120.371 118.700 -0.091 0.000 2.491 88 N HA 0.348 5.106 4.740 0.030 0.000 0.274 88 N C -0.084 175.472 175.510 0.077 0.000 1.023 88 N CA -0.147 52.934 53.050 0.051 0.000 0.902 88 N CB 1.960 40.538 38.487 0.151 0.000 1.267 88 N HN 0.781 nan 8.380 nan 0.000 0.503 89 V N 1.172 121.148 119.914 0.104 0.000 3.376 89 V HA 0.259 4.397 4.120 0.030 0.000 0.313 89 V C 1.210 177.337 176.094 0.054 0.000 1.393 89 V CA 0.216 62.582 62.300 0.111 0.000 1.125 89 V CB 0.059 31.984 31.823 0.170 0.000 1.037 89 V HN 0.528 nan 8.190 nan 0.000 0.440 90 Q N 0.519 120.341 119.800 0.036 0.000 2.354 90 Q HA 0.185 4.543 4.340 0.030 0.000 0.203 90 Q C -1.575 174.328 176.000 -0.162 0.000 0.933 90 Q CA -0.472 55.290 55.803 -0.068 0.000 0.901 90 Q CB -0.701 27.981 28.738 -0.094 0.000 1.007 90 Q HN 0.539 nan 8.270 nan 0.000 0.495 91 P HA -0.131 nan 4.420 nan 0.000 0.260 91 P C -0.063 177.183 177.300 -0.089 0.000 1.172 91 P CA 0.722 63.752 63.100 -0.118 0.000 0.760 91 P CB 0.365 32.045 31.700 -0.033 0.000 0.773 92 H N 0.567 119.623 119.070 -0.024 0.000 2.457 92 H HA -0.001 4.572 4.556 0.029 0.000 0.294 92 H C 1.080 176.398 175.328 -0.017 0.000 1.064 92 H CA 1.269 57.295 56.048 -0.037 0.000 1.330 92 H CB 0.159 29.894 29.762 -0.044 0.000 1.395 92 H HN 0.501 nan 8.280 nan 0.000 0.541 93 S N -2.654 113.112 115.700 0.111 0.000 2.643 93 S HA 0.431 4.919 4.470 0.030 0.000 0.270 93 S C 1.322 175.959 174.600 0.061 0.000 1.166 93 S CA -0.379 57.878 58.200 0.096 0.000 0.815 93 S CB 1.246 64.503 63.200 0.095 0.000 1.139 93 S HN 0.097 nan 8.310 nan 0.000 0.472 94 G N 0.401 109.234 108.800 0.054 0.000 2.422 94 G HA2 0.153 4.131 3.960 0.030 0.000 0.218 94 G HA3 0.153 4.131 3.960 0.030 0.000 0.218 94 G C 1.418 176.327 174.900 0.014 0.000 1.140 94 G CA 0.962 46.055 45.100 -0.012 0.000 0.775 94 G HN 1.254 nan 8.290 nan 0.000 0.545 95 A N 0.184 123.050 122.820 0.075 0.000 1.898 95 A HA -0.035 4.303 4.320 0.030 0.000 0.216 95 A C 2.345 180.006 177.584 0.127 0.000 1.181 95 A CA 1.990 54.128 52.037 0.168 0.000 0.620 95 A CB -0.316 18.814 19.000 0.215 0.000 0.819 95 A HN 0.325 nan 8.150 nan 0.000 0.442 96 Q N -0.479 119.349 119.800 0.047 0.000 2.230 96 Q HA 0.137 4.495 4.340 0.030 0.000 0.202 96 Q C 2.180 178.163 176.000 -0.028 0.000 0.963 96 Q CA 1.359 57.153 55.803 -0.015 0.000 0.866 96 Q CB -0.581 28.151 28.738 -0.009 0.000 0.931 96 Q HN 0.649 nan 8.270 nan 0.000 0.452 97 A N 0.599 123.407 122.820 -0.020 0.000 1.873 97 A HA -0.191 4.147 4.320 0.030 0.000 0.215 97 A C 1.754 179.276 177.584 -0.103 0.000 1.186 97 A CA 1.591 53.599 52.037 -0.048 0.000 0.616 97 A CB -0.479 18.496 19.000 -0.042 0.000 0.823 97 A HN 0.331 nan 8.150 nan 0.000 0.442 98 N N -0.443 118.196 118.700 -0.102 0.000 2.084 98 N HA -0.150 4.608 4.740 0.030 0.000 0.190 98 N C 1.724 176.998 175.510 -0.393 0.000 1.030 98 N CA 1.680 54.550 53.050 -0.299 0.000 0.849 98 N CB -0.542 37.877 38.487 -0.112 0.000 1.012 98 N HN 0.612 nan 8.380 nan 0.000 0.423 99 M N 0.547 120.184 119.600 0.061 0.000 2.108 99 M HA -0.146 4.352 4.480 0.030 0.000 0.261 99 M C 1.814 178.195 176.300 0.135 0.000 1.066 99 M CA 1.659 57.107 55.300 0.247 0.000 1.107 99 M CB -0.024 32.535 32.600 -0.067 0.000 1.356 99 M HN 0.196 nan 8.290 nan 0.000 0.406 100 A N -0.561 122.254 122.820 -0.008 0.000 1.898 100 A HA -0.098 4.240 4.320 0.030 0.000 0.216 100 A C 2.015 179.596 177.584 -0.006 0.000 1.181 100 A CA 1.726 53.767 52.037 0.007 0.000 0.620 100 A CB -1.018 17.964 19.000 -0.030 0.000 0.819 100 A HN 0.418 nan 8.150 nan 0.000 0.442 101 V N -1.000 118.801 119.914 -0.189 0.000 2.295 101 V HA -0.268 3.870 4.120 0.030 0.000 0.246 101 V C 2.432 178.342 176.094 -0.307 0.000 1.049 101 V CA 1.897 63.948 62.300 -0.415 0.000 1.024 101 V CB -1.120 30.376 31.823 -0.545 0.000 0.648 101 V HN 0.636 nan 8.190 nan 0.000 0.447 102 Y N -0.875 119.360 120.300 -0.109 0.000 2.207 102 Y HA -0.219 4.350 4.550 0.031 0.000 0.287 102 Y C 2.257 178.165 175.900 0.014 0.000 1.156 102 Y CA 1.029 59.051 58.100 -0.129 0.000 1.182 102 Y CB -1.158 37.328 38.460 0.043 0.000 0.979 102 Y HN 0.285 nan 8.280 nan 0.000 0.521 103 F N 0.478 120.527 119.950 0.165 0.000 2.293 103 F HA -0.183 4.363 4.527 0.032 0.000 0.300 103 F C 2.098 177.904 175.800 0.011 0.000 1.086 103 F CA 1.713 59.789 58.000 0.127 0.000 1.375 103 F CB -0.265 38.790 39.000 0.091 0.000 1.045 103 F HN -0.055 nan 8.300 nan 0.000 0.516 104 T N -1.196 113.360 114.554 0.003 0.000 2.809 104 T HA -0.111 4.257 4.350 0.030 0.000 0.260 104 T C 2.020 176.590 174.700 -0.216 0.000 1.039 104 T CA 1.488 63.518 62.100 -0.117 0.000 1.141 104 T CB -0.438 68.311 68.868 -0.198 0.000 0.869 104 T HN 0.181 nan 8.240 nan 0.000 0.437 105 V N 0.246 119.962 119.914 -0.330 0.000 2.992 105 V HA 0.393 4.531 4.120 0.030 0.000 0.250 105 V C 0.201 176.152 176.094 -0.239 0.000 1.090 105 V CA 0.490 62.555 62.300 -0.391 0.000 1.101 105 V CB -0.086 31.340 31.823 -0.663 0.000 0.743 105 V HN 0.275 nan 8.190 nan 0.000 0.468 106 L N 0.920 122.030 121.223 -0.188 0.000 2.334 106 L HA 0.620 4.978 4.340 0.030 0.000 0.273 106 L C -0.122 176.764 176.870 0.028 0.000 1.013 106 L CA -0.503 54.270 54.840 -0.113 0.000 0.816 106 L CB 1.473 43.341 42.059 -0.318 0.000 1.278 106 L HN 0.034 nan 8.230 nan 0.000 0.431 107 E N -0.111 120.129 120.200 0.067 0.000 2.227 107 E HA 0.165 4.533 4.350 0.030 0.000 0.268 107 E C -0.940 175.784 176.600 0.206 0.000 0.990 107 E CA -0.882 55.580 56.400 0.103 0.000 0.856 107 E CB 1.424 31.153 29.700 0.048 0.000 1.159 107 E HN 0.488 nan 8.360 nan 0.000 0.401 108 H N -0.127 118.984 119.070 0.068 0.000 3.167 108 H HA 0.047 4.621 4.556 0.030 0.000 0.306 108 H C 1.102 176.447 175.328 0.028 0.000 0.965 108 H CA 1.861 57.906 56.048 -0.006 0.000 1.408 108 H CB 0.047 29.784 29.762 -0.043 0.000 1.406 108 H HN 0.710 nan 8.280 nan 0.000 0.576 109 G N 3.704 112.166 108.800 -0.563 0.000 2.176 109 G HA2 -0.274 3.704 3.960 0.030 0.000 0.253 109 G HA3 -0.274 3.704 3.960 0.030 0.000 0.253 109 G C -0.001 174.833 174.900 -0.109 0.000 0.979 109 G CA 0.099 44.956 45.100 -0.405 0.000 0.641 109 G HN 0.745 nan 8.290 nan 0.000 0.530 110 D N 1.271 121.679 120.400 0.013 0.000 2.399 110 D HA 0.402 5.060 4.640 0.030 0.000 0.241 110 D C 0.846 177.093 176.300 -0.089 0.000 1.133 110 D CA 0.725 54.717 54.000 -0.015 0.000 0.890 110 D CB 0.757 41.548 40.800 -0.014 0.000 1.201 110 D HN 0.119 nan 8.370 nan 0.000 0.432 111 T N 1.440 115.924 114.554 -0.116 0.000 2.814 111 T HA 0.359 4.727 4.350 0.030 0.000 0.297 111 T C 0.088 174.608 174.700 -0.300 0.000 0.956 111 T CA -0.504 61.491 62.100 -0.176 0.000 1.123 111 T CB 0.690 69.508 68.868 -0.084 0.000 0.902 111 T HN 0.003 nan 8.240 nan 0.000 0.528 112 V N 4.360 123.947 119.914 -0.545 0.000 2.656 112 V HA 0.503 4.641 4.120 0.030 0.000 0.307 112 V C -0.512 175.237 176.094 -0.574 0.000 1.051 112 V CA -1.090 60.772 62.300 -0.730 0.000 0.893 112 V CB 1.912 32.851 31.823 -1.474 0.000 0.999 112 V HN 0.668 nan 8.190 nan 0.000 0.426 113 L N 3.869 124.948 121.223 -0.240 0.000 2.282 113 L HA 0.958 5.316 4.340 0.030 0.000 0.288 113 L C 0.303 177.240 176.870 0.112 0.000 1.033 113 L CA 0.609 55.439 54.840 -0.016 0.000 0.807 113 L CB 0.956 43.092 42.059 0.129 0.000 1.209 113 L HN 0.839 nan 8.230 nan 0.000 0.423 114 G N 4.053 112.907 108.800 0.091 0.000 2.725 114 G HA2 0.425 4.403 3.960 0.030 0.000 0.288 114 G HA3 0.425 4.403 3.960 0.030 0.000 0.288 114 G C -1.363 173.136 174.900 -0.668 0.000 1.399 114 G CA -0.928 44.160 45.100 -0.020 0.000 0.859 114 G HN 0.661 nan 8.290 nan 0.000 0.479 115 M N 1.478 120.636 119.600 -0.737 0.000 2.217 115 M HA 0.202 4.700 4.480 0.030 0.000 0.354 115 M C 0.467 176.493 176.300 -0.458 0.000 1.225 115 M CA -0.695 54.050 55.300 -0.923 0.000 1.137 115 M CB 0.534 32.898 32.600 -0.393 0.000 1.576 115 M HN 0.578 nan 8.290 nan 0.000 0.461 116 N N 3.716 122.131 118.700 -0.475 0.000 2.357 116 N HA -0.037 4.721 4.740 0.030 0.000 0.257 116 N C 0.607 175.996 175.510 -0.203 0.000 1.250 116 N CA 0.323 53.146 53.050 -0.378 0.000 0.862 116 N CB 0.571 38.632 38.487 -0.710 0.000 1.066 116 N HN 0.751 nan 8.380 nan 0.000 0.468 117 L N 2.064 123.187 121.223 -0.167 0.000 2.141 117 L HA -0.098 4.260 4.340 0.030 0.000 0.209 117 L C 1.991 178.818 176.870 -0.071 0.000 1.094 117 L CA 0.765 55.533 54.840 -0.120 0.000 0.763 117 L CB -0.336 41.630 42.059 -0.156 0.000 0.908 117 L HN 0.454 nan 8.230 nan 0.000 0.437 118 S N -1.791 113.885 115.700 -0.040 0.000 2.522 118 S HA -0.049 4.439 4.470 0.030 0.000 0.227 118 S C 1.510 176.191 174.600 0.134 0.000 0.986 118 S CA 0.484 58.704 58.200 0.034 0.000 0.929 118 S CB -0.266 62.961 63.200 0.045 0.000 0.769 118 S HN 0.532 nan 8.310 nan 0.000 0.529 119 H N -1.070 117.934 119.070 -0.110 0.000 2.750 119 H HA 0.274 4.848 4.556 0.030 0.000 0.263 119 H C 1.739 177.072 175.328 0.009 0.000 0.964 119 H CA 0.426 56.440 56.048 -0.057 0.000 1.205 119 H CB 0.788 30.501 29.762 -0.081 0.000 1.454 119 H HN 0.519 nan 8.280 nan 0.000 0.503 120 G N 0.325 109.187 108.800 0.103 0.000 3.468 120 G HA2 -0.142 3.836 3.960 0.030 0.000 0.219 120 G HA3 -0.142 3.836 3.960 0.030 0.000 0.219 120 G C 0.766 175.708 174.900 0.071 0.000 0.968 120 G CA -0.263 44.892 45.100 0.093 0.000 0.851 120 G HN 0.484 nan 8.290 nan 0.000 0.524 121 G N 0.208 109.032 108.800 0.039 0.000 2.630 121 G HA2 0.392 4.370 3.960 0.030 0.000 0.236 121 G HA3 0.392 4.370 3.960 0.030 0.000 0.236 121 G C -0.155 174.774 174.900 0.049 0.000 1.248 121 G CA 0.249 45.407 45.100 0.097 0.000 0.844 121 G HN 0.440 nan 8.290 nan 0.000 0.588 122 H N 1.139 120.135 119.070 -0.123 0.000 2.488 122 H HA 0.142 4.716 4.556 0.030 0.000 0.347 122 H C 1.427 176.524 175.328 -0.385 0.000 1.174 122 H CA -0.836 54.984 56.048 -0.379 0.000 1.307 122 H CB 1.617 30.975 29.762 -0.673 0.000 1.517 122 H HN 0.311 nan 8.280 nan 0.000 0.554 123 L N 2.752 123.370 121.223 -1.008 0.000 2.051 123 L HA -0.229 4.129 4.340 0.030 0.000 0.214 123 L C 2.374 178.981 176.870 -0.439 0.000 1.076 123 L CA 2.540 56.984 54.840 -0.659 0.000 0.758 123 L CB -0.628 41.033 42.059 -0.663 0.000 0.890 123 L HN 0.848 nan 8.230 nan 0.000 0.433 124 T N -4.911 109.489 114.554 -0.256 0.000 3.215 124 T HA -0.063 4.305 4.350 0.030 0.000 0.254 124 T C 0.858 175.513 174.700 -0.075 0.000 1.149 124 T CA 0.661 62.701 62.100 -0.100 0.000 1.042 124 T CB -0.928 68.073 68.868 0.222 0.000 0.966 124 T HN 0.599 nan 8.240 nan 0.000 0.534 125 H N 0.551 119.490 119.070 -0.218 0.000 2.503 125 H HA 0.503 5.077 4.556 0.030 0.000 0.296 125 H C 1.308 176.109 175.328 -0.878 0.000 1.097 125 H CA -0.484 55.371 56.048 -0.321 0.000 1.055 125 H CB 0.158 29.890 29.762 -0.051 0.000 1.580 125 H HN 0.494 nan 8.280 nan 0.000 0.546 126 G N 0.917 109.010 108.800 -1.178 0.000 2.155 126 G HA2 -0.259 3.719 3.960 0.030 0.000 0.135 126 G HA3 -0.259 3.719 3.960 0.030 0.000 0.135 126 G C 0.018 174.596 174.900 -0.537 0.000 1.023 126 G CA -0.100 44.209 45.100 -1.318 0.000 0.688 126 G HN 0.355 nan 8.290 nan 0.000 0.499 127 S N 1.088 116.527 115.700 -0.435 0.000 2.531 127 S HA 0.490 4.977 4.470 0.030 0.000 0.279 127 S C 0.019 174.498 174.600 -0.203 0.000 1.305 127 S CA -0.399 57.639 58.200 -0.269 0.000 1.058 127 S CB 1.131 64.184 63.200 -0.245 0.000 0.899 127 S HN 0.184 nan 8.310 nan 0.000 0.493 128 P HA -0.029 nan 4.420 nan 0.000 0.234 128 P C 0.969 178.237 177.300 -0.053 0.000 1.167 128 P CA 0.730 63.784 63.100 -0.077 0.000 0.763 128 P CB -0.239 31.431 31.700 -0.050 0.000 0.835 129 V N -4.703 115.175 119.914 -0.059 0.000 3.578 129 V HA 0.284 4.422 4.120 0.030 0.000 0.290 129 V C 0.738 176.819 176.094 -0.023 0.000 1.376 129 V CA -0.388 61.898 62.300 -0.025 0.000 1.083 129 V CB -0.798 31.023 31.823 -0.003 0.000 0.911 129 V HN -0.001 nan 8.190 nan 0.000 0.433 130 N N 0.526 119.181 118.700 -0.075 0.000 2.472 130 N HA 0.254 5.011 4.740 0.030 0.000 0.289 130 N C 1.006 176.475 175.510 -0.068 0.000 1.156 130 N CA -0.078 52.930 53.050 -0.070 0.000 0.940 130 N CB 2.046 40.411 38.487 -0.204 0.000 1.200 130 N HN 0.226 nan 8.380 nan 0.000 0.511 131 F N 1.753 121.706 119.950 0.006 0.000 2.161 131 F HA -0.159 4.386 4.527 0.030 0.000 0.300 131 F C 2.352 178.172 175.800 0.033 0.000 1.089 131 F CA 1.383 59.399 58.000 0.027 0.000 1.282 131 F CB -0.958 38.083 39.000 0.068 0.000 1.010 131 F HN 0.428 nan 8.300 nan 0.000 0.485 132 S N 0.493 115.644 115.700 -0.915 0.000 2.356 132 S HA -0.048 4.440 4.470 0.030 0.000 0.223 132 S C 2.265 176.744 174.600 -0.201 0.000 1.032 132 S CA 0.944 58.808 58.200 -0.559 0.000 1.005 132 S CB -1.648 61.040 63.200 -0.854 0.000 0.867 132 S HN 0.550 nan 8.310 nan 0.000 0.449 133 G N 0.353 108.957 108.800 -0.326 0.000 2.572 133 G HA2 0.123 4.101 3.960 0.030 0.000 0.216 133 G HA3 0.123 4.101 3.960 0.030 0.000 0.216 133 G C 1.263 176.143 174.900 -0.034 0.000 1.133 133 G CA 0.681 45.698 45.100 -0.138 0.000 0.791 133 G HN 0.482 nan 8.290 nan 0.000 0.538 134 V N -0.178 119.705 119.914 -0.051 0.000 2.492 134 V HA -0.040 4.098 4.120 0.030 0.000 0.241 134 V C 2.560 178.623 176.094 -0.051 0.000 1.041 134 V CA 1.630 63.919 62.300 -0.018 0.000 1.057 134 V CB 0.143 31.976 31.823 0.017 0.000 0.711 134 V HN 0.347 nan 8.190 nan 0.000 0.468 135 Q N -0.398 119.322 119.800 -0.134 0.000 2.172 135 Q HA -0.038 4.319 4.340 0.030 0.000 0.200 135 Q C -0.176 175.403 176.000 -0.702 0.000 0.964 135 Q CA 1.400 56.968 55.803 -0.391 0.000 0.855 135 Q CB 0.055 28.438 28.738 -0.591 0.000 0.918 135 Q HN 0.672 nan 8.270 nan 0.000 0.444 136 Y N -1.064 119.233 120.300 -0.005 0.000 2.570 136 Y HA 0.395 4.962 4.550 0.029 0.000 0.345 136 Y C -0.492 175.390 175.900 -0.030 0.000 1.014 136 Y CA -1.936 56.117 58.100 -0.078 0.000 1.063 136 Y CB 0.795 39.184 38.460 -0.119 0.000 1.272 136 Y HN -0.198 nan 8.280 nan 0.000 0.477 137 N N 1.523 120.239 118.700 0.026 0.000 2.448 137 N HA 0.187 4.945 4.740 0.030 0.000 0.250 137 N C -1.784 173.672 175.510 -0.089 0.000 1.136 137 N CA -0.009 53.029 53.050 -0.020 0.000 0.953 137 N CB -0.300 38.151 38.487 -0.060 0.000 1.251 137 N HN 0.443 nan 8.380 nan 0.000 0.502 138 F N 2.992 122.881 119.950 -0.102 0.000 2.410 138 F HA 0.292 4.838 4.527 0.030 0.000 0.349 138 F C 0.524 176.222 175.800 -0.170 0.000 1.117 138 F CA -0.593 57.327 58.000 -0.134 0.000 1.104 138 F CB 0.976 39.895 39.000 -0.135 0.000 1.122 138 F HN 0.151 nan 8.300 nan 0.000 0.483 139 V N 1.196 121.047 119.914 -0.104 0.000 2.881 139 V HA 0.965 5.103 4.120 0.030 0.000 0.316 139 V C -0.456 175.571 176.094 -0.111 0.000 1.070 139 V CA -1.076 61.098 62.300 -0.211 0.000 0.976 139 V CB 1.357 32.845 31.823 -0.559 0.000 1.038 139 V HN 0.842 nan 8.190 nan 0.000 0.446 140 A N 2.839 125.578 122.820 -0.135 0.000 2.350 140 A HA 0.893 5.231 4.320 0.030 0.000 0.324 140 A C -0.885 176.641 177.584 -0.097 0.000 1.118 140 A CA -0.698 51.235 52.037 -0.173 0.000 0.783 140 A CB 1.190 20.056 19.000 -0.223 0.000 1.236 140 A HN 1.489 nan 8.150 nan 0.000 0.457 141 Y N 0.276 120.542 120.300 -0.057 0.000 2.457 141 Y HA 0.819 5.387 4.550 0.030 0.000 0.333 141 Y C 0.432 176.257 175.900 -0.124 0.000 1.119 141 Y CA -0.951 57.113 58.100 -0.060 0.000 1.143 141 Y CB 0.969 39.417 38.460 -0.019 0.000 1.230 141 Y HN 0.760 nan 8.280 nan 0.000 0.469 142 G N 0.728 109.591 108.800 0.105 0.000 2.735 142 G HA2 0.605 4.583 3.960 0.030 0.000 0.301 142 G HA3 0.605 4.583 3.960 0.030 0.000 0.301 142 G C -0.919 174.154 174.900 0.288 0.000 1.279 142 G CA -0.670 44.467 45.100 0.061 0.000 1.019 142 G HN 1.085 nan 8.290 nan 0.000 0.497 143 V N -2.123 118.090 119.914 0.499 0.000 3.109 143 V HA 0.517 4.655 4.120 0.030 0.000 0.317 143 V C 0.142 176.433 176.094 0.329 0.000 1.074 143 V CA -1.119 61.379 62.300 0.330 0.000 1.033 143 V CB 1.741 33.764 31.823 0.333 0.000 1.111 143 V HN 0.657 nan 8.190 nan 0.000 0.458 144 D N 2.043 122.558 120.400 0.192 0.000 2.425 144 D HA 0.174 4.832 4.640 0.030 0.000 0.247 144 D C -1.770 174.553 176.300 0.038 0.000 1.147 144 D CA -1.165 52.894 54.000 0.098 0.000 0.879 144 D CB 1.952 42.764 40.800 0.019 0.000 1.179 144 D HN 0.406 nan 8.370 nan 0.000 0.456 145 P HA -0.131 nan 4.420 nan 0.000 0.221 145 P C 0.610 177.714 177.300 -0.327 0.000 1.145 145 P CA 1.169 64.044 63.100 -0.376 0.000 0.795 145 P CB 0.319 31.656 31.700 -0.605 0.000 0.775 146 E N -1.727 118.266 120.200 -0.346 0.000 2.474 146 E HA -0.028 4.340 4.350 0.030 0.000 0.215 146 E C 1.531 177.791 176.600 -0.567 0.000 0.867 146 E CA 0.675 56.830 56.400 -0.407 0.000 1.135 146 E CB -1.058 28.520 29.700 -0.204 0.000 1.147 146 E HN 0.074 nan 8.360 nan 0.000 0.534 147 T N -2.651 111.653 114.554 -0.418 0.000 3.037 147 T HA 0.098 4.466 4.350 0.030 0.000 0.252 147 T C 0.185 174.788 174.700 -0.162 0.000 1.073 147 T CA 0.760 62.714 62.100 -0.243 0.000 1.091 147 T CB -0.637 68.186 68.868 -0.075 0.000 0.935 147 T HN 0.411 nan 8.240 nan 0.000 0.488 148 H N -0.705 118.409 119.070 0.073 0.000 3.047 148 H HA -0.103 4.471 4.556 0.030 0.000 0.263 148 H C -0.359 175.082 175.328 0.189 0.000 1.168 148 H CA 0.319 56.432 56.048 0.109 0.000 1.152 148 H CB -2.458 27.339 29.762 0.058 0.000 1.278 148 H HN 0.362 nan 8.280 nan 0.000 0.339 149 V N 1.299 121.354 119.914 0.236 0.000 2.539 149 V HA 0.175 4.313 4.120 0.030 0.000 0.292 149 V C 1.301 177.531 176.094 0.226 0.000 1.045 149 V CA -0.621 61.858 62.300 0.299 0.000 0.945 149 V CB 1.523 33.465 31.823 0.199 0.000 0.993 149 V HN 0.204 nan 8.190 nan 0.000 0.464 150 I N 3.472 124.141 120.570 0.165 0.000 2.919 150 I HA -0.066 4.122 4.170 0.030 0.000 0.299 150 I C 0.752 176.665 176.117 -0.340 0.000 1.221 150 I CA 0.584 61.760 61.300 -0.207 0.000 1.424 150 I CB 0.022 37.671 38.000 -0.585 0.000 1.358 150 I HN 0.628 nan 8.210 nan 0.000 0.551 151 D N 7.124 127.418 120.400 -0.177 0.000 2.402 151 D HA 0.009 4.667 4.640 0.030 0.000 0.235 151 D C 0.644 176.805 176.300 -0.233 0.000 1.226 151 D CA 0.038 53.973 54.000 -0.108 0.000 0.918 151 D CB 0.361 41.170 40.800 0.015 0.000 1.043 151 D HN 0.364 nan 8.370 nan 0.000 0.506 152 Y N 1.356 121.567 120.300 -0.148 0.000 2.497 152 Y HA -0.100 4.467 4.550 0.030 0.000 0.292 152 Y C 2.013 177.785 175.900 -0.213 0.000 1.137 152 Y CA 0.482 58.414 58.100 -0.280 0.000 1.285 152 Y CB 0.292 38.578 38.460 -0.290 0.000 0.991 152 Y HN 0.361 nan 8.280 nan 0.000 0.556 153 D N -0.196 120.206 120.400 0.002 0.000 2.183 153 D HA -0.157 4.501 4.640 0.030 0.000 0.203 153 D C 1.563 177.849 176.300 -0.024 0.000 0.969 153 D CA 1.302 55.294 54.000 -0.013 0.000 0.842 153 D CB -0.175 40.627 40.800 0.004 0.000 0.957 153 D HN 0.395 nan 8.370 nan 0.000 0.484 154 D N 0.352 120.737 120.400 -0.025 0.000 2.144 154 D HA -0.113 4.545 4.640 0.030 0.000 0.200 154 D C 2.073 178.367 176.300 -0.009 0.000 0.978 154 D CA 0.515 54.519 54.000 0.007 0.000 0.833 154 D CB 0.209 41.036 40.800 0.045 0.000 0.961 154 D HN -0.079 nan 8.370 nan 0.000 0.470 155 V N 0.386 120.220 119.914 -0.132 0.000 2.407 155 V HA -0.181 3.957 4.120 0.030 0.000 0.248 155 V C 2.601 178.629 176.094 -0.110 0.000 1.055 155 V CA 1.829 63.991 62.300 -0.230 0.000 1.049 155 V CB -0.606 30.820 31.823 -0.662 0.000 0.662 155 V HN 0.206 nan 8.190 nan 0.000 0.455 156 R N 0.062 120.504 120.500 -0.096 0.000 2.075 156 R HA -0.182 4.176 4.340 0.030 0.000 0.232 156 R C 2.427 178.721 176.300 -0.009 0.000 1.126 156 R CA 1.814 57.885 56.100 -0.048 0.000 0.963 156 R CB -0.197 30.074 30.300 -0.048 0.000 0.858 156 R HN 0.674 nan 8.270 nan 0.000 0.435 157 E N 0.293 120.493 120.200 -0.000 0.000 2.051 157 E HA -0.189 4.179 4.350 0.030 0.000 0.192 157 E C 1.549 178.173 176.600 0.040 0.000 0.991 157 E CA 1.077 57.485 56.400 0.013 0.000 0.799 157 E CB 0.205 29.915 29.700 0.017 0.000 0.748 157 E HN 0.133 nan 8.360 nan 0.000 0.449 158 K N 0.149 120.604 120.400 0.091 0.000 2.097 158 K HA -0.093 4.245 4.320 0.030 0.000 0.206 158 K C 2.021 178.741 176.600 0.199 0.000 1.049 158 K CA 1.004 57.416 56.287 0.209 0.000 0.933 158 K CB -0.254 32.385 32.500 0.232 0.000 0.717 158 K HN 0.182 nan 8.250 nan 0.000 0.442 159 A N 1.428 124.315 122.820 0.111 0.000 1.898 159 A HA -0.123 4.215 4.320 0.030 0.000 0.216 159 A C 2.169 179.786 177.584 0.055 0.000 1.181 159 A CA 1.099 53.189 52.037 0.088 0.000 0.620 159 A CB -0.292 18.743 19.000 0.058 0.000 0.819 159 A HN 0.225 nan 8.150 nan 0.000 0.442 160 R N -1.379 119.137 120.500 0.025 0.000 2.148 160 R HA 0.043 4.401 4.340 0.030 0.000 0.223 160 R C 1.919 178.203 176.300 -0.026 0.000 1.088 160 R CA 1.052 57.152 56.100 0.000 0.000 0.985 160 R CB -0.236 30.059 30.300 -0.008 0.000 0.880 160 R HN 0.484 nan 8.270 nan 0.000 0.451 161 L N -0.545 120.644 121.223 -0.057 0.000 2.145 161 L HA 0.004 4.362 4.340 0.030 0.000 0.201 161 L C 1.701 178.438 176.870 -0.220 0.000 1.075 161 L CA 1.704 56.442 54.840 -0.170 0.000 0.773 161 L CB -0.122 41.773 42.059 -0.274 0.000 0.936 161 L HN 0.142 nan 8.230 nan 0.000 0.451 162 H N 0.234 119.305 119.070 0.002 0.000 2.551 162 H HA 0.238 4.813 4.556 0.030 0.000 0.266 162 H C -0.022 175.299 175.328 -0.012 0.000 0.964 162 H CA 0.056 56.100 56.048 -0.006 0.000 1.180 162 H CB 0.273 30.031 29.762 -0.007 0.000 1.408 162 H HN 0.137 nan 8.280 nan 0.000 0.563 163 R N 0.781 121.330 120.500 0.082 0.000 3.059 163 R HA -0.107 4.251 4.340 0.030 0.000 0.251 163 R C -2.644 173.680 176.300 0.040 0.000 0.886 163 R CA 0.047 56.174 56.100 0.046 0.000 0.634 163 R CB -2.000 28.314 30.300 0.023 0.000 1.282 163 R HN 0.429 nan 8.270 nan 0.000 0.487 164 P HA 0.145 nan 4.420 nan 0.000 0.276 164 P C 0.422 177.725 177.300 0.005 0.000 1.244 164 P CA -0.403 62.694 63.100 -0.007 0.000 0.801 164 P CB 0.927 32.616 31.700 -0.019 0.000 1.006 165 K N 0.371 120.758 120.400 -0.021 0.000 2.314 165 K HA 0.212 4.550 4.320 0.030 0.000 0.198 165 K C 0.437 177.091 176.600 0.091 0.000 1.045 165 K CA 0.376 56.684 56.287 0.036 0.000 0.988 165 K CB 0.225 32.728 32.500 0.004 0.000 0.783 165 K HN 0.366 nan 8.250 nan 0.000 0.484 166 L N 1.300 122.524 121.223 0.001 0.000 2.409 166 L HA 0.480 4.838 4.340 0.030 0.000 0.262 166 L C -1.527 175.360 176.870 0.030 0.000 0.992 166 L CA -0.895 53.973 54.840 0.046 0.000 0.817 166 L CB 2.149 44.180 42.059 -0.046 0.000 1.350 166 L HN -0.048 nan 8.230 nan 0.000 0.411 167 I N 3.725 124.370 120.570 0.125 0.000 2.436 167 I HA 0.386 4.574 4.170 0.030 0.000 0.289 167 I C -0.615 175.595 176.117 0.154 0.000 1.010 167 I CA -0.763 60.633 61.300 0.160 0.000 1.098 167 I CB 2.095 40.236 38.000 0.234 0.000 1.266 167 I HN 0.160 nan 8.210 nan 0.000 0.434 168 V N 5.564 125.560 119.914 0.136 0.000 2.398 168 V HA 0.740 4.878 4.120 0.030 0.000 0.286 168 V C 0.233 176.302 176.094 -0.041 0.000 1.026 168 V CA -0.417 61.903 62.300 0.033 0.000 0.868 168 V CB 1.411 33.236 31.823 0.004 0.000 0.982 168 V HN 0.824 nan 8.190 nan 0.000 0.443 169 A N 4.062 126.751 122.820 -0.219 0.000 2.374 169 A HA 1.055 5.393 4.320 0.030 0.000 0.317 169 A C -0.075 177.406 177.584 -0.173 0.000 1.094 169 A CA -0.003 51.784 52.037 -0.417 0.000 0.765 169 A CB 1.627 19.930 19.000 -1.162 0.000 1.268 169 A HN 2.460 nan 8.150 nan 0.000 0.438 170 A N -0.602 122.177 122.820 -0.069 0.000 2.436 170 A HA 0.581 4.919 4.320 0.030 0.000 0.685 170 A C -0.387 177.289 177.584 0.153 0.000 0.144 170 A CA -0.026 52.062 52.037 0.085 0.000 0.042 170 A CB -1.375 17.696 19.000 0.119 0.000 3.965 170 A HN 2.912 nan 8.150 nan 0.000 0.547 171 A N -0.244 122.702 122.820 0.209 0.000 2.594 171 A HA 0.889 5.227 4.320 0.030 0.000 0.291 171 A C 0.700 178.403 177.584 0.199 0.000 1.105 171 A CA 0.527 52.694 52.037 0.216 0.000 0.694 171 A CB 0.963 20.061 19.000 0.163 0.000 1.291 171 A HN 1.930 nan 8.150 nan 0.000 0.410 172 S N -0.332 115.457 115.700 0.150 0.000 2.470 172 S HA 0.360 4.848 4.470 0.030 0.000 0.222 172 S C 0.820 175.274 174.600 -0.243 0.000 1.024 172 S CA 0.944 59.175 58.200 0.052 0.000 0.931 172 S CB 0.364 63.685 63.200 0.201 0.000 0.791 172 S HN 1.635 nan 8.310 nan 0.000 0.513 173 A N 0.890 123.667 122.820 -0.072 0.000 3.370 173 A HA 0.568 4.906 4.320 0.030 0.000 0.295 173 A C -1.145 176.470 177.584 0.052 0.000 1.030 173 A CA -0.316 51.669 52.037 -0.087 0.000 0.883 173 A CB 0.144 19.102 19.000 -0.070 0.000 1.191 173 A HN 0.313 nan 8.150 nan 0.000 0.507 174 Y N 2.546 122.795 120.300 -0.084 0.000 2.327 174 Y HA 0.524 5.091 4.550 0.029 0.000 0.325 174 Y C -2.306 173.577 175.900 -0.027 0.000 0.999 174 Y CA -2.116 55.974 58.100 -0.017 0.000 1.195 174 Y CB 2.389 40.880 38.460 0.053 0.000 1.132 174 Y HN 0.333 nan 8.280 nan 0.000 0.455 175 P HA 0.042 nan 4.420 nan 0.000 0.241 175 P C -0.036 177.064 177.300 -0.333 0.000 1.191 175 P CA 0.773 63.682 63.100 -0.319 0.000 0.771 175 P CB 0.514 32.066 31.700 -0.248 0.000 0.929 176 R N -0.111 119.997 120.500 -0.652 0.000 2.782 176 R HA 0.491 4.849 4.340 0.030 0.000 0.258 176 R C 0.489 176.795 176.300 0.011 0.000 1.055 176 R CA -1.427 54.459 56.100 -0.357 0.000 1.065 176 R CB 0.376 30.435 30.300 -0.402 0.000 1.172 176 R HN 0.027 nan 8.270 nan 0.000 0.510 177 I N 2.020 122.663 120.570 0.122 0.000 2.496 177 I HA 0.124 4.312 4.170 0.030 0.000 0.285 177 I C 0.395 176.660 176.117 0.245 0.000 1.080 177 I CA 0.036 61.452 61.300 0.194 0.000 1.404 177 I CB 0.478 38.416 38.000 -0.104 0.000 1.403 177 I HN 0.233 nan 8.210 nan 0.000 0.539 178 I N 5.636 126.332 120.570 0.210 0.000 2.325 178 I HA 0.091 4.279 4.170 0.030 0.000 0.291 178 I C 0.252 176.056 176.117 -0.522 0.000 1.019 178 I CA -0.280 60.994 61.300 -0.042 0.000 1.302 178 I CB 0.617 38.518 38.000 -0.165 0.000 1.401 178 I HN 0.472 nan 8.210 nan 0.000 0.485 179 D N 6.691 127.011 120.400 -0.132 0.000 2.402 179 D HA 0.101 4.759 4.640 0.030 0.000 0.235 179 D C 0.705 176.908 176.300 -0.160 0.000 1.226 179 D CA 0.096 53.917 54.000 -0.298 0.000 0.918 179 D CB 0.360 40.869 40.800 -0.485 0.000 1.043 179 D HN 0.358 nan 8.370 nan 0.000 0.506 180 F N 1.842 121.783 119.950 -0.015 0.000 2.325 180 F HA -0.023 4.522 4.527 0.030 0.000 0.299 180 F C 2.475 178.098 175.800 -0.295 0.000 1.090 180 F CA 0.374 58.343 58.000 -0.052 0.000 1.392 180 F CB -0.085 38.864 39.000 -0.084 0.000 1.053 180 F HN 0.430 nan 8.300 nan 0.000 0.521 181 A N 0.578 123.088 122.820 -0.518 0.000 1.902 181 A HA -0.164 4.174 4.320 0.030 0.000 0.217 181 A C 2.221 179.719 177.584 -0.144 0.000 1.181 181 A CA 1.387 53.151 52.037 -0.454 0.000 0.623 181 A CB -0.447 18.299 19.000 -0.423 0.000 0.818 181 A HN 0.262 nan 8.150 nan 0.000 0.443 182 K N -1.645 118.634 120.400 -0.202 0.000 2.217 182 K HA -0.000 4.338 4.320 0.030 0.000 0.202 182 K C 1.559 178.082 176.600 -0.127 0.000 1.051 182 K CA 0.936 57.085 56.287 -0.230 0.000 0.952 182 K CB -0.252 31.938 32.500 -0.517 0.000 0.736 182 K HN 0.481 nan 8.250 nan 0.000 0.453 183 F N 1.303 121.244 119.950 -0.016 0.000 2.186 183 F HA -0.145 4.400 4.527 0.031 0.000 0.299 183 F C 2.596 178.434 175.800 0.062 0.000 1.090 183 F CA 1.171 59.203 58.000 0.053 0.000 1.307 183 F CB -0.079 38.991 39.000 0.117 0.000 1.019 183 F HN -0.081 nan 8.300 nan 0.000 0.489 184 R N 0.830 121.478 120.500 0.247 0.000 2.090 184 R HA -0.130 4.228 4.340 0.030 0.000 0.228 184 R C 2.029 178.398 176.300 0.115 0.000 1.110 184 R CA 1.657 57.869 56.100 0.187 0.000 0.973 184 R CB -0.731 29.695 30.300 0.210 0.000 0.869 184 R HN 0.357 nan 8.270 nan 0.000 0.440 185 E N -0.245 119.995 120.200 0.067 0.000 2.118 185 E HA -0.177 4.191 4.350 0.030 0.000 0.195 185 E C 1.784 178.393 176.600 0.016 0.000 0.992 185 E CA 1.592 58.007 56.400 0.025 0.000 0.804 185 E CB -0.094 29.595 29.700 -0.019 0.000 0.741 185 E HN 0.426 nan 8.360 nan 0.000 0.458 186 I N 0.446 121.021 120.570 0.008 0.000 2.286 186 I HA -0.188 4.000 4.170 0.030 0.000 0.245 186 I C 2.501 178.644 176.117 0.044 0.000 1.104 186 I CA 0.841 62.142 61.300 0.001 0.000 1.397 186 I CB -0.223 37.745 38.000 -0.054 0.000 1.072 186 I HN 0.136 nan 8.210 nan 0.000 0.417 187 A N 0.440 123.316 122.820 0.093 0.000 1.933 187 A HA -0.229 4.109 4.320 0.030 0.000 0.218 187 A C 1.900 179.529 177.584 0.075 0.000 1.175 187 A CA 1.993 54.098 52.037 0.112 0.000 0.628 187 A CB -0.536 18.573 19.000 0.181 0.000 0.814 187 A HN 0.325 nan 8.150 nan 0.000 0.444 188 D N -0.750 119.692 120.400 0.070 0.000 2.178 188 D HA -0.112 4.546 4.640 0.030 0.000 0.202 188 D C 1.849 178.162 176.300 0.022 0.000 0.974 188 D CA 1.225 55.252 54.000 0.045 0.000 0.841 188 D CB -0.250 40.578 40.800 0.047 0.000 0.953 188 D HN 0.727 nan 8.370 nan 0.000 0.478 189 E N 0.374 120.586 120.200 0.021 0.000 2.072 189 E HA -0.124 4.244 4.350 0.030 0.000 0.191 189 E C 1.742 178.347 176.600 0.008 0.000 0.985 189 E CA 0.991 57.397 56.400 0.010 0.000 0.801 189 E CB 0.338 30.041 29.700 0.004 0.000 0.750 189 E HN 0.206 nan 8.360 nan 0.000 0.452 190 V N -2.975 116.948 119.914 0.015 0.000 3.647 190 V HA 0.392 4.530 4.120 0.030 0.000 0.279 190 V C 1.001 177.100 176.094 0.007 0.000 1.314 190 V CA 0.358 62.666 62.300 0.014 0.000 1.125 190 V CB -0.093 31.745 31.823 0.025 0.000 0.907 190 V HN 0.265 nan 8.190 nan 0.000 0.434 191 G N 0.317 109.116 108.800 -0.003 0.000 2.314 191 G HA2 0.075 4.053 3.960 0.030 0.000 0.292 191 G HA3 0.075 4.053 3.960 0.030 0.000 0.292 191 G C 0.104 174.971 174.900 -0.055 0.000 1.059 191 G CA 0.453 45.532 45.100 -0.034 0.000 0.982 191 G HN 1.669 nan 8.290 nan 0.000 0.505 192 A N -0.529 122.271 122.820 -0.032 0.000 2.384 192 A HA 0.871 5.209 4.320 0.030 0.000 0.312 192 A C -0.154 177.408 177.584 -0.037 0.000 1.113 192 A CA -0.922 51.114 52.037 -0.002 0.000 0.779 192 A CB 1.101 20.142 19.000 0.069 0.000 1.307 192 A HN 0.563 nan 8.150 nan 0.000 0.436 193 Y N -0.199 120.094 120.300 -0.012 0.000 2.357 193 Y HA 0.400 4.968 4.550 0.030 0.000 0.340 193 Y C 0.262 176.273 175.900 0.186 0.000 1.260 193 Y CA 0.364 58.438 58.100 -0.043 0.000 1.425 193 Y CB 0.811 39.249 38.460 -0.037 0.000 1.326 193 Y HN 0.565 nan 8.280 nan 0.000 0.580 194 L N 4.472 126.030 121.223 0.559 0.000 2.356 194 L HA 0.544 4.902 4.340 0.030 0.000 0.277 194 L C -1.002 176.052 176.870 0.307 0.000 0.996 194 L CA -0.837 54.220 54.840 0.362 0.000 0.822 194 L CB 1.369 43.598 42.059 0.283 0.000 1.256 194 L HN 0.726 nan 8.230 nan 0.000 0.413 195 M N 5.780 125.509 119.600 0.215 0.000 2.253 195 M HA 0.635 5.133 4.480 0.030 0.000 0.314 195 M C -1.849 174.467 176.300 0.027 0.000 1.019 195 M CA -0.629 54.767 55.300 0.159 0.000 0.932 195 M CB 1.771 34.466 32.600 0.159 0.000 1.606 195 M HN 0.413 nan 8.290 nan 0.000 0.430 196 V N 3.937 123.835 119.914 -0.027 0.000 2.417 196 V HA 0.308 4.446 4.120 0.030 0.000 0.291 196 V C -0.609 175.436 176.094 -0.082 0.000 1.024 196 V CA -0.519 61.725 62.300 -0.093 0.000 0.861 196 V CB 1.652 33.335 31.823 -0.233 0.000 0.985 196 V HN 0.778 nan 8.190 nan 0.000 0.436 197 D N 5.281 125.656 120.400 -0.042 0.000 2.557 197 D HA 0.230 4.888 4.640 0.030 0.000 0.236 197 D C 0.999 177.305 176.300 0.010 0.000 1.154 197 D CA -0.478 53.523 54.000 0.003 0.000 0.985 197 D CB 0.875 41.758 40.800 0.137 0.000 1.010 197 D HN 0.619 nan 8.370 nan 0.000 0.516 198 M N 0.239 119.802 119.600 -0.062 0.000 2.691 198 M HA 0.232 4.730 4.480 0.030 0.000 0.227 198 M C 1.490 177.760 176.300 -0.051 0.000 1.120 198 M CA -0.022 55.247 55.300 -0.053 0.000 1.034 198 M CB 0.267 32.785 32.600 -0.137 0.000 1.675 198 M HN 0.084 nan 8.290 nan 0.000 0.514 199 A N 0.962 123.743 122.820 -0.066 0.000 1.915 199 A HA -0.257 4.081 4.320 0.030 0.000 0.220 199 A C 1.803 179.289 177.584 -0.164 0.000 1.198 199 A CA 2.433 54.382 52.037 -0.147 0.000 0.647 199 A CB -1.260 17.618 19.000 -0.203 0.000 0.825 199 A HN 0.759 nan 8.150 nan 0.000 0.456 200 H N -0.781 118.259 119.070 -0.049 0.000 2.436 200 H HA 0.116 4.692 4.556 0.032 0.000 0.294 200 H C 1.708 176.948 175.328 -0.146 0.000 1.048 200 H CA 1.501 57.538 56.048 -0.018 0.000 1.353 200 H CB -0.014 29.860 29.762 0.187 0.000 1.414 200 H HN 0.670 nan 8.280 nan 0.000 0.536 201 I N -2.886 117.712 120.570 0.048 0.000 3.928 201 I HA 0.379 4.567 4.170 0.030 0.000 0.335 201 I C 1.992 178.110 176.117 0.002 0.000 1.325 201 I CA 0.234 61.517 61.300 -0.028 0.000 1.107 201 I CB 0.367 38.295 38.000 -0.121 0.000 1.014 201 I HN 0.045 nan 8.210 nan 0.000 0.400 202 A N 2.213 125.041 122.820 0.013 0.000 1.908 202 A HA -0.087 4.251 4.320 0.030 0.000 0.218 202 A C 2.369 180.133 177.584 0.300 0.000 1.181 202 A CA 2.054 54.160 52.037 0.115 0.000 0.627 202 A CB -1.465 17.566 19.000 0.053 0.000 0.818 202 A HN 0.534 nan 8.150 nan 0.000 0.445 203 G N -0.345 108.599 108.800 0.241 0.000 2.422 203 G HA2 -0.090 3.888 3.960 0.030 0.000 0.218 203 G HA3 -0.090 3.888 3.960 0.030 0.000 0.218 203 G C 1.477 176.531 174.900 0.257 0.000 1.140 203 G CA 1.002 46.322 45.100 0.367 0.000 0.775 203 G HN 0.475 nan 8.290 nan 0.000 0.545 204 L N 0.285 121.597 121.223 0.149 0.000 2.240 204 L HA 0.028 4.386 4.340 0.030 0.000 0.211 204 L C 2.762 179.770 176.870 0.230 0.000 1.106 204 L CA 0.081 55.009 54.840 0.146 0.000 0.793 204 L CB -0.379 41.766 42.059 0.144 0.000 0.927 204 L HN 0.041 nan 8.230 nan 0.000 0.446 205 V N 0.393 120.474 119.914 0.279 0.000 2.453 205 V HA -0.172 3.966 4.120 0.030 0.000 0.247 205 V C 2.792 179.064 176.094 0.297 0.000 1.048 205 V CA 1.630 64.132 62.300 0.337 0.000 1.049 205 V CB -0.670 31.372 31.823 0.365 0.000 0.672 205 V HN 0.443 nan 8.190 nan 0.000 0.457 206 A N 0.068 123.056 122.820 0.280 0.000 1.930 206 A HA 0.014 4.352 4.320 0.030 0.000 0.217 206 A C 2.211 179.858 177.584 0.105 0.000 1.175 206 A CA 1.766 53.822 52.037 0.032 0.000 0.627 206 A CB -0.481 18.537 19.000 0.029 0.000 0.815 206 A HN 0.568 nan 8.150 nan 0.000 0.443 207 A N -1.811 121.119 122.820 0.182 0.000 2.251 207 A HA 0.431 4.769 4.320 0.030 0.000 0.209 207 A C 1.668 179.313 177.584 0.101 0.000 1.187 207 A CA 1.076 53.194 52.037 0.136 0.000 0.823 207 A CB -0.869 18.178 19.000 0.079 0.000 0.846 207 A HN 1.858 nan 8.150 nan 0.000 0.486 208 G N -0.973 107.900 108.800 0.122 0.000 2.176 208 G HA2 -0.242 3.735 3.960 0.030 0.000 0.252 208 G HA3 -0.242 3.735 3.960 0.030 0.000 0.252 208 G C 0.508 175.476 174.900 0.114 0.000 1.024 208 G CA 0.573 45.744 45.100 0.117 0.000 0.755 208 G HN 0.506 nan 8.290 nan 0.000 0.507 209 L N -0.494 120.809 121.223 0.133 0.000 2.616 209 L HA 0.369 4.727 4.340 0.030 0.000 0.229 209 L C 1.032 178.009 176.870 0.178 0.000 1.110 209 L CA -0.076 54.834 54.840 0.118 0.000 0.884 209 L CB 0.287 42.396 42.059 0.083 0.000 1.115 209 L HN 0.416 nan 8.230 nan 0.000 0.481 210 H N 0.355 119.508 119.070 0.138 0.000 2.679 210 H HA 0.341 4.915 4.556 0.031 0.000 0.360 210 H C -2.574 172.890 175.328 0.227 0.000 1.105 210 H CA -2.010 54.146 56.048 0.181 0.000 1.196 210 H CB 2.547 32.440 29.762 0.218 0.000 1.636 210 H HN -0.255 nan 8.280 nan 0.000 0.531 211 P HA -0.107 nan 4.420 nan 0.000 0.261 211 P C -0.120 177.497 177.300 0.527 0.000 1.173 211 P CA 0.356 63.624 63.100 0.282 0.000 0.760 211 P CB 0.386 32.193 31.700 0.179 0.000 0.783 212 N N 4.817 123.740 118.700 0.372 0.000 2.442 212 N HA 0.066 4.824 4.740 0.030 0.000 0.265 212 N C -1.417 174.216 175.510 0.204 0.000 1.138 212 N CA -1.951 51.256 53.050 0.261 0.000 0.956 212 N CB 0.535 39.140 38.487 0.196 0.000 1.067 212 N HN 0.246 nan 8.380 nan 0.000 0.474 213 P HA -0.041 nan 4.420 nan 0.000 0.231 213 P C 1.398 178.627 177.300 -0.117 0.000 1.168 213 P CA 0.278 63.109 63.100 -0.448 0.000 0.779 213 P CB 0.561 31.533 31.700 -1.213 0.000 0.844 214 V N 2.112 121.967 119.914 -0.099 0.000 2.250 214 V HA -0.168 3.970 4.120 0.030 0.000 0.250 214 V C -0.411 175.603 176.094 -0.132 0.000 1.060 214 V CA 2.650 64.893 62.300 -0.095 0.000 1.030 214 V CB -2.479 29.317 31.823 -0.044 0.000 0.643 214 V HN 0.224 nan 8.190 nan 0.000 0.445 215 P HA -0.008 nan 4.420 nan 0.000 0.245 215 P C 0.406 177.388 177.300 -0.529 0.000 1.212 215 P CA 1.051 63.916 63.100 -0.391 0.000 0.774 215 P CB -0.087 31.305 31.700 -0.512 0.000 0.999 216 Y N -0.893 119.370 120.300 -0.061 0.000 2.581 216 Y HA 0.454 5.022 4.550 0.029 0.000 0.271 216 Y C 1.400 177.223 175.900 -0.129 0.000 1.100 216 Y CA -0.356 57.715 58.100 -0.048 0.000 1.281 216 Y CB -0.491 38.011 38.460 0.070 0.000 1.237 216 Y HN -0.213 nan 8.280 nan 0.000 0.514 217 A N -0.160 122.652 122.820 -0.014 0.000 2.304 217 A HA 0.365 4.703 4.320 0.030 0.000 0.301 217 A C -0.065 177.383 177.584 -0.227 0.000 1.132 217 A CA -0.331 51.654 52.037 -0.087 0.000 0.819 217 A CB 0.261 19.226 19.000 -0.059 0.000 1.094 217 A HN 0.477 nan 8.150 nan 0.000 0.492 218 H N 0.747 119.709 119.070 -0.179 0.000 2.363 218 H HA 0.144 4.717 4.556 0.030 0.000 0.301 218 H C -0.647 174.150 175.328 -0.885 0.000 1.074 218 H CA 1.916 57.634 56.048 -0.549 0.000 1.354 218 H CB 0.002 29.266 29.762 -0.830 0.000 1.397 218 H HN 0.580 nan 8.280 nan 0.000 0.516 219 F N -0.291 119.642 119.950 -0.028 0.000 2.540 219 F HA 0.488 5.032 4.527 0.029 0.000 0.317 219 F C -0.832 174.914 175.800 -0.090 0.000 1.104 219 F CA -1.212 56.735 58.000 -0.088 0.000 0.913 219 F CB 1.942 40.853 39.000 -0.148 0.000 1.170 219 F HN -0.336 nan 8.300 nan 0.000 0.450 220 V N 1.880 121.828 119.914 0.057 0.000 2.407 220 V HA 0.496 4.634 4.120 0.030 0.000 0.291 220 V C -0.242 175.805 176.094 -0.078 0.000 1.018 220 V CA -0.737 61.525 62.300 -0.064 0.000 0.842 220 V CB 1.752 33.477 31.823 -0.162 0.000 0.996 220 V HN 0.894 nan 8.190 nan 0.000 0.426 221 T N 0.896 115.399 114.554 -0.085 0.000 2.943 221 T HA 0.828 5.196 4.350 0.030 0.000 0.284 221 T C -0.222 174.403 174.700 -0.126 0.000 1.015 221 T CA -0.653 61.391 62.100 -0.094 0.000 1.042 221 T CB 2.149 70.966 68.868 -0.084 0.000 1.055 221 T HN 0.723 nan 8.240 nan 0.000 0.500 222 T N 0.491 114.972 114.554 -0.122 0.000 2.830 222 T HA 0.554 4.922 4.350 0.030 0.000 0.322 222 T C -0.713 173.917 174.700 -0.116 0.000 1.501 222 T CA -0.455 61.561 62.100 -0.140 0.000 1.036 222 T CB 1.329 70.081 68.868 -0.195 0.000 1.379 222 T HN 1.167 nan 8.240 nan 0.000 0.493 223 T N 0.485 114.933 114.554 -0.178 0.000 2.913 223 T HA 0.409 4.777 4.350 0.030 0.000 0.287 223 T C 1.628 176.246 174.700 -0.135 0.000 1.008 223 T CA 0.204 62.170 62.100 -0.223 0.000 1.067 223 T CB 1.028 69.522 68.868 -0.622 0.000 0.996 223 T HN 0.793 nan 8.240 nan 0.000 0.513 224 T N -1.592 112.959 114.554 -0.005 0.000 3.014 224 T HA -0.010 4.358 4.350 0.030 0.000 0.263 224 T C 1.204 175.940 174.700 0.060 0.000 1.078 224 T CA 0.487 62.639 62.100 0.086 0.000 1.135 224 T CB -0.601 68.317 68.868 0.083 0.000 0.895 224 T HN 0.906 nan 8.240 nan 0.000 0.480 225 H N 1.371 120.430 119.070 -0.017 0.000 2.277 225 H HA 0.515 5.091 4.556 0.033 0.000 0.301 225 H C 0.722 176.027 175.328 -0.039 0.000 1.655 225 H CA -0.337 55.692 56.048 -0.031 0.000 1.483 225 H CB 0.245 29.974 29.762 -0.055 0.000 1.741 225 H HN 0.181 nan 8.280 nan 0.000 0.712 226 K N -2.041 118.347 120.400 -0.020 0.000 3.126 226 K HA -0.238 4.100 4.320 0.030 0.000 0.255 226 K C 1.518 178.108 176.600 -0.018 0.000 1.579 226 K CA 1.529 57.753 56.287 -0.106 0.000 0.540 226 K CB -1.832 30.464 32.500 -0.340 0.000 0.812 226 K HN 0.831 nan 8.250 nan 0.000 0.690 227 T N 0.039 114.553 114.554 -0.066 0.000 2.962 227 T HA -0.066 4.302 4.350 0.030 0.000 0.270 227 T C 1.636 176.485 174.700 0.249 0.000 1.088 227 T CA 1.490 63.603 62.100 0.022 0.000 1.127 227 T CB -0.025 68.742 68.868 -0.168 0.000 0.883 227 T HN 0.330 nan 8.240 nan 0.000 0.493 228 L N 1.067 122.424 121.223 0.223 0.000 2.376 228 L HA 0.348 4.706 4.340 0.030 0.000 0.219 228 L C 1.508 178.554 176.870 0.293 0.000 1.133 228 L CA 0.855 55.895 54.840 0.332 0.000 0.816 228 L CB -1.063 41.141 42.059 0.242 0.000 0.933 228 L HN 0.383 nan 8.230 nan 0.000 0.449 229 R N -0.881 119.760 120.500 0.235 0.000 3.422 229 R HA -0.156 4.202 4.340 0.030 0.000 0.267 229 R C 0.356 176.699 176.300 0.071 0.000 1.074 229 R CA 0.430 56.633 56.100 0.172 0.000 0.718 229 R CB -1.688 28.760 30.300 0.247 0.000 1.157 229 R HN 0.566 nan 8.270 nan 0.000 0.440 230 G N 0.109 108.940 108.800 0.052 0.000 2.887 230 G HA2 0.705 4.683 3.960 0.030 0.000 0.277 230 G HA3 0.705 4.683 3.960 0.030 0.000 0.277 230 G C -2.626 172.277 174.900 0.006 0.000 1.346 230 G CA -1.036 44.050 45.100 -0.023 0.000 1.058 230 G HN 0.112 nan 8.290 nan 0.000 0.535 231 P HA 0.171 nan 4.420 nan 0.000 0.273 231 P C -0.563 176.741 177.300 0.006 0.000 1.250 231 P CA -0.483 62.593 63.100 -0.040 0.000 0.793 231 P CB 0.980 32.629 31.700 -0.085 0.000 1.011 232 R N 0.315 120.763 120.500 -0.086 0.000 2.343 232 R HA 0.500 4.858 4.340 0.030 0.000 0.326 232 R C 0.376 176.660 176.300 -0.027 0.000 1.055 232 R CA 0.612 56.589 56.100 -0.206 0.000 0.961 232 R CB -0.661 29.427 30.300 -0.353 0.000 0.978 232 R HN 0.842 nan 8.270 nan 0.000 0.443 233 G N 1.275 110.172 108.800 0.163 0.000 2.320 233 G HA2 0.413 4.391 3.960 0.030 0.000 0.296 233 G HA3 0.413 4.391 3.960 0.030 0.000 0.296 233 G C -1.346 173.632 174.900 0.130 0.000 1.306 233 G CA -0.391 44.775 45.100 0.111 0.000 0.836 233 G HN 0.743 nan 8.290 nan 0.000 0.517 234 G N -1.259 107.584 108.800 0.072 0.000 2.630 234 G HA2 0.781 4.759 3.960 0.030 0.000 0.296 234 G HA3 0.781 4.759 3.960 0.030 0.000 0.296 234 G C -0.924 174.001 174.900 0.042 0.000 1.285 234 G CA -0.568 44.556 45.100 0.040 0.000 0.958 234 G HN 0.952 nan 8.290 nan 0.000 0.479 235 M N 0.348 119.961 119.600 0.021 0.000 2.413 235 M HA 0.601 5.099 4.480 0.030 0.000 0.287 235 M C -1.951 174.337 176.300 -0.021 0.000 1.186 235 M CA -0.697 54.620 55.300 0.027 0.000 0.927 235 M CB 2.340 34.984 32.600 0.073 0.000 1.715 235 M HN 0.398 nan 8.290 nan 0.000 0.478 236 I N 4.823 125.391 120.570 -0.004 0.000 2.433 236 I HA 0.472 4.660 4.170 0.030 0.000 0.292 236 I C -1.275 174.846 176.117 0.006 0.000 1.001 236 I CA -0.667 60.633 61.300 0.001 0.000 1.119 236 I CB 1.878 39.904 38.000 0.043 0.000 1.289 236 I HN 0.576 nan 8.210 nan 0.000 0.438 237 L N 6.449 127.663 121.223 -0.015 0.000 2.346 237 L HA 0.766 5.124 4.340 0.030 0.000 0.276 237 L C -0.493 176.420 176.870 0.072 0.000 1.006 237 L CA -0.572 54.264 54.840 -0.006 0.000 0.817 237 L CB 1.831 43.824 42.059 -0.111 0.000 1.272 237 L HN 0.805 nan 8.230 nan 0.000 0.421 238 C N -0.631 118.751 119.300 0.137 0.000 3.318 238 C HA 0.597 5.074 4.460 0.030 0.000 0.322 238 C C -0.083 175.015 174.990 0.180 0.000 1.398 238 C CA -0.762 58.353 59.018 0.163 0.000 1.339 238 C CB 1.792 29.705 27.740 0.288 0.000 1.668 238 C HN 0.678 nan 8.230 nan 0.000 0.462 239 Q N 0.177 120.100 119.800 0.205 0.000 2.492 239 Q HA 0.168 4.526 4.340 0.030 0.000 0.238 239 Q C 1.390 177.452 176.000 0.102 0.000 1.045 239 Q CA 0.537 56.425 55.803 0.142 0.000 0.934 239 Q CB 0.783 29.596 28.738 0.126 0.000 1.276 239 Q HN 0.966 nan 8.270 nan 0.000 0.521 240 E N 0.317 120.522 120.200 0.008 0.000 2.118 240 E HA -0.267 4.101 4.350 0.030 0.000 0.195 240 E C 2.027 178.543 176.600 -0.140 0.000 0.992 240 E CA 1.533 57.904 56.400 -0.047 0.000 0.804 240 E CB 0.119 29.792 29.700 -0.045 0.000 0.741 240 E HN 0.684 nan 8.360 nan 0.000 0.458 241 Q N -0.596 119.050 119.800 -0.257 0.000 2.364 241 Q HA -0.144 4.214 4.340 0.030 0.000 0.207 241 Q C 1.135 176.858 176.000 -0.463 0.000 0.970 241 Q CA 1.078 56.632 55.803 -0.416 0.000 0.888 241 Q CB -0.199 28.196 28.738 -0.572 0.000 0.951 241 Q HN 0.343 nan 8.270 nan 0.000 0.469 242 F N 0.443 120.392 119.950 -0.001 0.000 2.695 242 F HA 0.435 4.980 4.527 0.030 0.000 0.303 242 F C 2.256 178.050 175.800 -0.010 0.000 1.091 242 F CA -0.058 57.982 58.000 0.066 0.000 1.300 242 F CB -0.138 38.970 39.000 0.180 0.000 1.071 242 F HN 0.091 nan 8.300 nan 0.000 0.578 243 A N 0.850 123.633 122.820 -0.062 0.000 1.873 243 A HA -0.278 4.060 4.320 0.030 0.000 0.218 243 A C 2.364 179.748 177.584 -0.333 0.000 1.193 243 A CA 2.171 53.921 52.037 -0.478 0.000 0.629 243 A CB -0.648 17.847 19.000 -0.842 0.000 0.826 243 A HN 0.344 nan 8.150 nan 0.000 0.447 244 K N -0.739 119.552 120.400 -0.182 0.000 2.097 244 K HA -0.177 4.161 4.320 0.030 0.000 0.205 244 K C 2.230 178.824 176.600 -0.010 0.000 1.050 244 K CA 1.602 57.829 56.287 -0.100 0.000 0.938 244 K CB -0.176 32.288 32.500 -0.060 0.000 0.718 244 K HN 0.644 nan 8.250 nan 0.000 0.442 245 Q N 0.188 120.019 119.800 0.052 0.000 2.123 245 Q HA -0.071 4.287 4.340 0.030 0.000 0.199 245 Q C 2.050 178.122 176.000 0.120 0.000 0.966 245 Q CA 0.939 56.805 55.803 0.105 0.000 0.845 245 Q CB 0.093 28.925 28.738 0.156 0.000 0.907 245 Q HN 0.278 nan 8.270 nan 0.000 0.439 246 I N 1.312 121.963 120.570 0.135 0.000 2.252 246 I HA -0.227 3.961 4.170 0.030 0.000 0.245 246 I C 1.444 177.637 176.117 0.128 0.000 1.102 246 I CA 1.364 62.743 61.300 0.133 0.000 1.385 246 I CB -0.890 37.229 38.000 0.198 0.000 1.064 246 I HN 0.209 nan 8.210 nan 0.000 0.414 247 D N 0.935 121.376 120.400 0.069 0.000 2.117 247 D HA -0.162 4.496 4.640 0.030 0.000 0.197 247 D C 2.176 178.612 176.300 0.226 0.000 0.987 247 D CA 1.119 55.136 54.000 0.028 0.000 0.829 247 D CB -0.094 40.464 40.800 -0.404 0.000 0.961 247 D HN 0.312 nan 8.370 nan 0.000 0.460 248 K N 0.248 120.743 120.400 0.159 0.000 2.288 248 K HA 0.072 4.410 4.320 0.030 0.000 0.201 248 K C 1.921 178.618 176.600 0.162 0.000 1.048 248 K CA 0.702 57.093 56.287 0.173 0.000 0.956 248 K CB 0.142 32.719 32.500 0.129 0.000 0.746 248 K HN 0.010 nan 8.250 nan 0.000 0.461 249 A N 1.119 124.046 122.820 0.179 0.000 2.016 249 A HA -0.064 4.274 4.320 0.030 0.000 0.217 249 A C 1.917 179.502 177.584 0.000 0.000 1.162 249 A CA 0.827 52.967 52.037 0.172 0.000 0.662 249 A CB -0.152 18.994 19.000 0.243 0.000 0.812 249 A HN 0.051 nan 8.150 nan 0.000 0.450 250 I N -2.370 118.259 120.570 0.099 0.000 2.206 250 I HA 0.104 4.292 4.170 0.030 0.000 0.239 250 I C 0.501 176.701 176.117 0.139 0.000 1.078 250 I CA 1.190 62.544 61.300 0.090 0.000 1.367 250 I CB -0.624 37.482 38.000 0.176 0.000 1.078 250 I HN 0.329 nan 8.210 nan 0.000 0.413 251 F N 2.811 122.816 119.950 0.092 0.000 2.539 251 F HA 0.444 4.991 4.527 0.033 0.000 0.318 251 F C -2.284 173.598 175.800 0.137 0.000 1.135 251 F CA -2.197 55.832 58.000 0.048 0.000 0.915 251 F CB 2.068 41.049 39.000 -0.033 0.000 1.176 251 F HN -0.197 nan 8.300 nan 0.000 0.440 252 P HA 0.230 nan 4.420 nan 0.000 0.249 252 P C 0.751 177.797 177.300 -0.423 0.000 1.583 252 P CA 0.256 62.717 63.100 -1.066 0.000 0.988 252 P CB 0.415 31.470 31.700 -1.075 0.000 1.530 253 G N 2.094 110.746 108.800 -0.246 0.000 2.616 253 G HA2 -0.147 3.831 3.960 0.030 0.000 0.215 253 G HA3 -0.147 3.831 3.960 0.030 0.000 0.215 253 G C 1.125 175.708 174.900 -0.528 0.000 1.284 253 G CA 0.832 45.714 45.100 -0.364 0.000 0.823 253 G HN 0.409 nan 8.290 nan 0.000 0.569 254 I N -3.166 117.150 120.570 -0.424 0.000 4.187 254 I HA 0.437 4.625 4.170 0.030 0.000 0.326 254 I C 0.707 176.735 176.117 -0.149 0.000 1.302 254 I CA -0.134 60.956 61.300 -0.351 0.000 1.196 254 I CB 0.515 38.293 38.000 -0.370 0.000 1.095 254 I HN 0.062 nan 8.210 nan 0.000 0.411 255 Q N 0.884 120.647 119.800 -0.063 0.000 2.495 255 Q HA 0.645 5.003 4.340 0.030 0.000 0.283 255 Q C -0.016 176.100 176.000 0.194 0.000 1.097 255 Q CA -0.464 55.364 55.803 0.041 0.000 0.836 255 Q CB 2.404 31.105 28.738 -0.061 0.000 1.426 255 Q HN 0.291 nan 8.270 nan 0.000 0.459 256 G N -0.492 108.437 108.800 0.214 0.000 3.392 256 G HA2 0.473 4.450 3.960 0.030 0.000 0.188 256 G HA3 0.473 4.450 3.960 0.030 0.000 0.188 256 G C -0.272 174.678 174.900 0.083 0.000 1.485 256 G CA -0.179 45.085 45.100 0.273 0.000 0.943 256 G HN 0.585 nan 8.290 nan 0.000 0.627 257 G N 1.556 110.431 108.800 0.124 0.000 2.398 257 G HA2 0.492 4.470 3.960 0.030 0.000 0.246 257 G HA3 0.492 4.470 3.960 0.030 0.000 0.246 257 G C -2.063 172.783 174.900 -0.090 0.000 1.289 257 G CA -0.364 44.709 45.100 -0.045 0.000 0.869 257 G HN 0.397 nan 8.290 nan 0.000 0.543 258 P HA 0.193 nan 4.420 nan 0.000 0.276 258 P C -0.226 177.044 177.300 -0.050 0.000 1.252 258 P CA -0.526 62.513 63.100 -0.102 0.000 0.802 258 P CB 1.271 32.863 31.700 -0.180 0.000 1.035 259 L N 2.278 123.497 121.223 -0.008 0.000 2.328 259 L HA 0.145 4.503 4.340 0.030 0.000 0.280 259 L C 1.818 178.570 176.870 -0.198 0.000 1.111 259 L CA -0.485 54.277 54.840 -0.130 0.000 0.909 259 L CB -0.033 41.890 42.059 -0.227 0.000 1.277 259 L HN 0.219 nan 8.230 nan 0.000 0.433 260 M N 1.362 120.927 119.600 -0.059 0.000 2.213 260 M HA -0.149 4.349 4.480 0.030 0.000 0.263 260 M C 2.358 178.653 176.300 -0.009 0.000 1.062 260 M CA 1.516 56.803 55.300 -0.022 0.000 1.105 260 M CB -1.060 31.551 32.600 0.019 0.000 1.385 260 M HN 0.642 nan 8.290 nan 0.000 0.417 261 H N -0.881 118.162 119.070 -0.046 0.000 2.423 261 H HA 0.055 4.621 4.556 0.017 0.000 0.297 261 H C 1.992 177.293 175.328 -0.045 0.000 1.075 261 H CA 1.356 57.378 56.048 -0.042 0.000 1.342 261 H CB -1.201 28.534 29.762 -0.044 0.000 1.395 261 H HN 0.260 nan 8.280 nan 0.000 0.530 262 V N 1.462 121.085 119.914 -0.486 0.000 2.488 262 V HA -0.128 4.010 4.120 0.030 0.000 0.246 262 V C 2.925 178.908 176.094 -0.185 0.000 1.046 262 V CA 1.113 63.229 62.300 -0.307 0.000 1.053 262 V CB -0.464 31.156 31.823 -0.338 0.000 0.679 262 V HN 0.225 nan 8.190 nan 0.000 0.458 263 I N 0.914 121.391 120.570 -0.155 0.000 2.286 263 I HA -0.233 3.955 4.170 0.030 0.000 0.248 263 I C 2.712 178.774 176.117 -0.092 0.000 1.115 263 I CA 1.418 62.661 61.300 -0.096 0.000 1.392 263 I CB -0.565 37.403 38.000 -0.053 0.000 1.065 263 I HN 0.288 nan 8.210 nan 0.000 0.418 264 A N 0.864 123.643 122.820 -0.070 0.000 1.883 264 A HA -0.225 4.113 4.320 0.030 0.000 0.217 264 A C 2.535 180.063 177.584 -0.093 0.000 1.186 264 A CA 2.101 54.107 52.037 -0.051 0.000 0.624 264 A CB -0.855 18.138 19.000 -0.011 0.000 0.822 264 A HN 0.444 nan 8.150 nan 0.000 0.444 265 A N -0.507 122.245 122.820 -0.112 0.000 1.969 265 A HA -0.102 4.236 4.320 0.030 0.000 0.218 265 A C 2.075 179.507 177.584 -0.254 0.000 1.169 265 A CA 1.669 53.623 52.037 -0.140 0.000 0.635 265 A CB -0.373 18.563 19.000 -0.107 0.000 0.810 265 A HN 0.562 nan 8.150 nan 0.000 0.445 266 K N -0.105 120.097 120.400 -0.330 0.000 2.032 266 K HA -0.100 4.238 4.320 0.030 0.000 0.209 266 K C 2.314 178.342 176.600 -0.954 0.000 1.048 266 K CA 1.222 57.096 56.287 -0.689 0.000 0.927 266 K CB -0.361 31.832 32.500 -0.511 0.000 0.712 266 K HN 0.429 nan 8.250 nan 0.000 0.441 267 A N 1.073 123.649 122.820 -0.407 0.000 1.908 267 A HA -0.144 4.194 4.320 0.030 0.000 0.218 267 A C 2.387 179.884 177.584 -0.146 0.000 1.181 267 A CA 1.622 53.566 52.037 -0.155 0.000 0.627 267 A CB -0.722 18.262 19.000 -0.026 0.000 0.818 267 A HN 0.088 nan 8.150 nan 0.000 0.445 268 V N -0.225 119.588 119.914 -0.168 0.000 2.343 268 V HA -0.228 3.910 4.120 0.030 0.000 0.247 268 V C 3.019 179.018 176.094 -0.158 0.000 1.051 268 V CA 1.893 64.120 62.300 -0.122 0.000 1.036 268 V CB -1.323 30.442 31.823 -0.096 0.000 0.654 268 V HN 0.612 nan 8.190 nan 0.000 0.451 269 A N -0.383 122.275 122.820 -0.270 0.000 1.933 269 A HA -0.137 4.201 4.320 0.030 0.000 0.218 269 A C 2.119 179.585 177.584 -0.197 0.000 1.175 269 A CA 1.662 53.538 52.037 -0.268 0.000 0.628 269 A CB -0.693 18.105 19.000 -0.335 0.000 0.814 269 A HN 0.533 nan 8.150 nan 0.000 0.444 270 F N -0.030 119.845 119.950 -0.126 0.000 2.146 270 F HA -0.048 4.504 4.527 0.042 0.000 0.298 270 F C 2.719 178.416 175.800 -0.171 0.000 1.096 270 F CA 0.334 58.242 58.000 -0.153 0.000 1.275 270 F CB -0.525 38.426 39.000 -0.082 0.000 1.008 270 F HN 0.351 nan 8.300 nan 0.000 0.480 271 G N 0.149 108.977 108.800 0.048 0.000 2.442 271 G HA2 -0.232 3.746 3.960 0.030 0.000 0.219 271 G HA3 -0.232 3.746 3.960 0.030 0.000 0.219 271 G C 1.377 176.246 174.900 -0.052 0.000 1.141 271 G CA 0.798 45.895 45.100 -0.005 0.000 0.763 271 G HN 0.346 nan 8.290 nan 0.000 0.554 272 E N 0.287 120.430 120.200 -0.096 0.000 2.208 272 E HA 0.093 4.461 4.350 0.030 0.000 0.193 272 E C 2.753 179.209 176.600 -0.241 0.000 0.988 272 E CA 0.558 56.888 56.400 -0.117 0.000 0.828 272 E CB -0.055 29.578 29.700 -0.112 0.000 0.763 272 E HN 0.436 nan 8.360 nan 0.000 0.478 273 A N 0.545 123.104 122.820 -0.435 0.000 2.067 273 A HA -0.013 4.325 4.320 0.030 0.000 0.217 273 A C 1.991 179.422 177.584 -0.254 0.000 1.156 273 A CA 0.491 52.049 52.037 -0.800 0.000 0.683 273 A CB -0.176 18.348 19.000 -0.795 0.000 0.808 273 A HN 0.128 nan 8.150 nan 0.000 0.455 274 L N -0.516 120.626 121.223 -0.135 0.000 2.313 274 L HA -0.036 4.322 4.340 0.030 0.000 0.214 274 L C 1.112 177.986 176.870 0.007 0.000 1.119 274 L CA 0.256 55.061 54.840 -0.058 0.000 0.809 274 L CB -0.194 41.833 42.059 -0.053 0.000 0.933 274 L HN 0.448 nan 8.230 nan 0.000 0.449 275 Q N -0.240 119.577 119.800 0.028 0.000 2.368 275 Q HA -0.036 4.322 4.340 0.030 0.000 0.237 275 Q C 0.526 176.596 176.000 0.117 0.000 0.987 275 Q CA -0.401 55.440 55.803 0.063 0.000 0.896 275 Q CB 0.868 29.641 28.738 0.058 0.000 1.241 275 Q HN 0.034 nan 8.270 nan 0.000 0.485 276 D N 1.115 121.572 120.400 0.095 0.000 2.144 276 D HA -0.157 4.501 4.640 0.030 0.000 0.200 276 D C 1.133 177.509 176.300 0.126 0.000 0.978 276 D CA 1.451 55.510 54.000 0.098 0.000 0.833 276 D CB -0.064 40.776 40.800 0.067 0.000 0.961 276 D HN 0.615 nan 8.370 nan 0.000 0.470 277 D N -0.111 120.369 120.400 0.134 0.000 2.219 277 D HA -0.174 4.484 4.640 0.030 0.000 0.205 277 D C 1.913 178.339 176.300 0.210 0.000 0.970 277 D CA 0.304 54.389 54.000 0.142 0.000 0.851 277 D CB -0.978 39.891 40.800 0.115 0.000 0.943 277 D HN 0.230 nan 8.370 nan 0.000 0.488 278 F N 1.553 121.569 119.950 0.110 0.000 2.186 278 F HA 0.006 4.551 4.527 0.030 0.000 0.299 278 F C 1.901 177.823 175.800 0.204 0.000 1.090 278 F CA 1.188 59.296 58.000 0.180 0.000 1.307 278 F CB 0.066 39.137 39.000 0.119 0.000 1.019 278 F HN -0.187 nan 8.300 nan 0.000 0.489 279 K N 0.029 120.555 120.400 0.210 0.000 2.148 279 K HA -0.048 4.290 4.320 0.030 0.000 0.204 279 K C 2.213 178.819 176.600 0.011 0.000 1.050 279 K CA 1.021 57.360 56.287 0.087 0.000 0.942 279 K CB -0.418 32.152 32.500 0.117 0.000 0.724 279 K HN 0.330 nan 8.250 nan 0.000 0.446 280 A N 0.980 123.829 122.820 0.049 0.000 1.930 280 A HA -0.155 4.183 4.320 0.030 0.000 0.215 280 A C 2.067 179.660 177.584 0.015 0.000 1.176 280 A CA 0.859 52.916 52.037 0.034 0.000 0.632 280 A CB -0.596 18.442 19.000 0.063 0.000 0.819 280 A HN 0.422 nan 8.150 nan 0.000 0.445 281 Y N 0.860 121.099 120.300 -0.101 0.000 2.145 281 Y HA -0.091 4.480 4.550 0.035 0.000 0.286 281 Y C 2.479 178.260 175.900 -0.199 0.000 1.145 281 Y CA 1.434 59.449 58.100 -0.142 0.000 1.148 281 Y CB -0.659 37.693 38.460 -0.180 0.000 0.981 281 Y HN 0.257 nan 8.280 nan 0.000 0.507 282 A N 0.581 123.022 122.820 -0.633 0.000 2.015 282 A HA -0.150 4.188 4.320 0.030 0.000 0.219 282 A C 2.332 179.708 177.584 -0.348 0.000 1.163 282 A CA 1.633 53.272 52.037 -0.664 0.000 0.646 282 A CB -0.727 17.981 19.000 -0.487 0.000 0.806 282 A HN 0.541 nan 8.150 nan 0.000 0.448 283 K N -0.313 119.961 120.400 -0.210 0.000 2.103 283 K HA -0.083 4.255 4.320 0.030 0.000 0.204 283 K C 2.204 178.738 176.600 -0.110 0.000 1.052 283 K CA 0.962 57.184 56.287 -0.109 0.000 0.945 283 K CB -0.157 32.313 32.500 -0.051 0.000 0.722 283 K HN 0.430 nan 8.250 nan 0.000 0.443 284 R N 0.267 120.686 120.500 -0.135 0.000 2.120 284 R HA -0.089 4.269 4.340 0.030 0.000 0.234 284 R C 2.253 178.482 176.300 -0.120 0.000 1.123 284 R CA 1.114 57.159 56.100 -0.093 0.000 0.975 284 R CB -0.287 29.986 30.300 -0.045 0.000 0.866 284 R HN 0.051 nan 8.270 nan 0.000 0.446 285 V N 0.617 120.380 119.914 -0.252 0.000 2.255 285 V HA -0.238 3.900 4.120 0.030 0.000 0.247 285 V C 2.393 178.441 176.094 -0.077 0.000 1.051 285 V CA 1.823 64.000 62.300 -0.204 0.000 1.018 285 V CB -0.433 31.180 31.823 -0.350 0.000 0.641 285 V HN 0.108 nan 8.190 nan 0.000 0.445 286 V N 0.106 119.979 119.914 -0.069 0.000 2.407 286 V HA -0.235 3.903 4.120 0.030 0.000 0.248 286 V C 2.266 178.354 176.094 -0.011 0.000 1.055 286 V CA 2.062 64.355 62.300 -0.012 0.000 1.049 286 V CB -0.782 31.043 31.823 0.003 0.000 0.662 286 V HN 0.530 nan 8.190 nan 0.000 0.455 287 D N 0.400 120.787 120.400 -0.021 0.000 2.117 287 D HA -0.133 4.525 4.640 0.030 0.000 0.197 287 D C 2.077 178.379 176.300 0.003 0.000 0.987 287 D CA 1.155 55.150 54.000 -0.007 0.000 0.829 287 D CB -0.372 40.423 40.800 -0.009 0.000 0.961 287 D HN 0.366 nan 8.370 nan 0.000 0.460 288 N N 0.591 119.294 118.700 0.004 0.000 2.188 288 N HA -0.073 4.685 4.740 0.030 0.000 0.184 288 N C 1.681 177.203 175.510 0.020 0.000 1.018 288 N CA 1.130 54.195 53.050 0.025 0.000 0.858 288 N CB -0.300 38.212 38.487 0.042 0.000 0.989 288 N HN 0.119 nan 8.380 nan 0.000 0.426 289 A N 0.805 123.629 122.820 0.007 0.000 1.898 289 A HA -0.075 4.263 4.320 0.030 0.000 0.216 289 A C 2.180 179.761 177.584 -0.006 0.000 1.181 289 A CA 1.351 53.387 52.037 -0.003 0.000 0.620 289 A CB -0.271 18.725 19.000 -0.007 0.000 0.819 289 A HN 0.097 nan 8.150 nan 0.000 0.442 290 K N -0.605 119.795 120.400 -0.001 0.000 2.097 290 K HA -0.068 4.270 4.320 0.030 0.000 0.205 290 K C 2.188 178.793 176.600 0.007 0.000 1.050 290 K CA 1.413 57.700 56.287 0.001 0.000 0.938 290 K CB -0.151 32.350 32.500 0.003 0.000 0.718 290 K HN 0.341 nan 8.250 nan 0.000 0.442 291 R N 0.340 120.848 120.500 0.013 0.000 2.073 291 R HA 0.011 4.369 4.340 0.030 0.000 0.229 291 R C 1.922 178.237 176.300 0.024 0.000 1.120 291 R CA 0.967 57.079 56.100 0.020 0.000 0.967 291 R CB -0.674 29.641 30.300 0.024 0.000 0.862 291 R HN 0.163 nan 8.270 nan 0.000 0.436 292 L N 0.176 121.413 121.223 0.023 0.000 2.056 292 L HA 0.070 4.428 4.340 0.030 0.000 0.207 292 L C 2.031 178.910 176.870 0.014 0.000 1.078 292 L CA 2.105 56.958 54.840 0.021 0.000 0.749 292 L CB -0.881 41.186 42.059 0.013 0.000 0.901 292 L HN 0.246 nan 8.230 nan 0.000 0.433 293 A N -1.568 121.254 122.820 0.004 0.000 1.858 293 A HA -0.245 4.093 4.320 0.030 0.000 0.216 293 A C 2.531 180.130 177.584 0.025 0.000 1.190 293 A CA 2.046 54.085 52.037 0.004 0.000 0.617 293 A CB -1.259 17.735 19.000 -0.009 0.000 0.827 293 A HN 0.505 nan 8.150 nan 0.000 0.443 294 S N -0.595 115.119 115.700 0.023 0.000 2.368 294 S HA -0.046 4.442 4.470 0.030 0.000 0.225 294 S C 2.136 176.761 174.600 0.042 0.000 1.030 294 S CA 1.601 59.819 58.200 0.029 0.000 0.999 294 S CB -0.453 62.759 63.200 0.021 0.000 0.844 294 S HN 0.811 nan 8.310 nan 0.000 0.459 295 A N 0.927 123.775 122.820 0.046 0.000 1.929 295 A HA 0.143 4.480 4.320 0.030 0.000 0.216 295 A C 2.156 179.799 177.584 0.098 0.000 1.176 295 A CA 1.066 53.138 52.037 0.059 0.000 0.628 295 A CB -0.622 18.410 19.000 0.053 0.000 0.816 295 A HN 0.559 nan 8.150 nan 0.000 0.444 296 L N -0.885 120.406 121.223 0.113 0.000 2.093 296 L HA -0.225 4.133 4.340 0.030 0.000 0.208 296 L C 2.835 179.870 176.870 0.276 0.000 1.085 296 L CA 1.372 56.347 54.840 0.225 0.000 0.755 296 L CB -0.443 41.681 42.059 0.109 0.000 0.904 296 L HN 0.462 nan 8.230 nan 0.000 0.435 297 Q N -0.486 119.403 119.800 0.148 0.000 2.124 297 Q HA -0.218 4.140 4.340 0.030 0.000 0.202 297 Q C 2.013 178.046 176.000 0.055 0.000 0.977 297 Q CA 1.441 57.303 55.803 0.099 0.000 0.850 297 Q CB -0.287 28.488 28.738 0.062 0.000 0.901 297 Q HN 0.468 nan 8.270 nan 0.000 0.429 298 N N 0.493 119.226 118.700 0.054 0.000 2.348 298 N HA -0.185 4.573 4.740 0.030 0.000 0.185 298 N C 1.041 176.560 175.510 0.014 0.000 1.019 298 N CA 0.859 53.926 53.050 0.030 0.000 0.880 298 N CB 0.259 38.766 38.487 0.033 0.000 0.965 298 N HN 0.240 nan 8.380 nan 0.000 0.437 299 E N -0.487 119.735 120.200 0.037 0.000 2.442 299 E HA 0.055 4.423 4.350 0.030 0.000 0.195 299 E C 0.944 177.408 176.600 -0.227 0.000 1.030 299 E CA 0.565 56.948 56.400 -0.029 0.000 0.869 299 E CB 0.235 30.003 29.700 0.113 0.000 0.857 299 E HN 0.538 nan 8.360 nan 0.000 0.505 300 G N 1.124 109.815 108.800 -0.181 0.000 2.143 300 G HA2 -0.208 3.770 3.960 0.030 0.000 0.175 300 G HA3 -0.208 3.770 3.960 0.030 0.000 0.175 300 G C -0.221 174.495 174.900 -0.307 0.000 1.004 300 G CA -0.493 44.460 45.100 -0.245 0.000 0.671 300 G HN 0.085 nan 8.290 nan 0.000 0.512 301 F N 1.859 121.808 119.950 -0.001 0.000 2.394 301 F HA 0.572 5.117 4.527 0.031 0.000 0.340 301 F C 1.130 176.926 175.800 -0.005 0.000 1.105 301 F CA -0.253 57.744 58.000 -0.004 0.000 1.124 301 F CB 1.539 40.535 39.000 -0.007 0.000 1.145 301 F HN -0.057 nan 8.300 nan 0.000 0.505 302 T N 5.076 119.744 114.554 0.189 0.000 2.832 302 T HA 0.520 4.888 4.350 0.030 0.000 0.296 302 T C -0.056 174.693 174.700 0.082 0.000 0.968 302 T CA -0.398 61.765 62.100 0.105 0.000 1.107 302 T CB 0.360 69.273 68.868 0.075 0.000 0.916 302 T HN 0.290 nan 8.240 nan 0.000 0.517 303 L N 2.665 123.918 121.223 0.050 0.000 2.334 303 L HA 0.516 4.874 4.340 0.030 0.000 0.273 303 L C 0.029 176.885 176.870 -0.024 0.000 1.013 303 L CA -1.327 53.514 54.840 0.002 0.000 0.816 303 L CB 1.675 43.734 42.059 0.001 0.000 1.278 303 L HN 0.323 nan 8.230 nan 0.000 0.431 304 V N 2.420 122.270 119.914 -0.106 0.000 2.529 304 V HA 0.011 4.149 4.120 0.030 0.000 0.292 304 V C 0.985 177.058 176.094 -0.036 0.000 1.028 304 V CA 1.175 63.346 62.300 -0.216 0.000 1.074 304 V CB 0.903 32.548 31.823 -0.297 0.000 0.958 304 V HN 1.135 nan 8.190 nan 0.000 0.481 305 S N 2.794 118.622 115.700 0.213 0.000 2.929 305 S HA -0.201 4.287 4.470 0.030 0.000 0.271 305 S C 1.248 175.900 174.600 0.086 0.000 1.295 305 S CA 1.119 59.422 58.200 0.172 0.000 1.277 305 S CB -1.967 61.247 63.200 0.023 0.000 1.557 305 S HN 2.793 nan 8.310 nan 0.000 0.666 306 G N -0.141 108.706 108.800 0.079 0.000 2.176 306 G HA2 0.355 4.333 3.960 0.030 0.000 0.252 306 G HA3 0.355 4.333 3.960 0.030 0.000 0.252 306 G C 0.967 175.877 174.900 0.016 0.000 1.024 306 G CA 0.573 45.701 45.100 0.046 0.000 0.755 306 G HN 2.718 nan 8.290 nan 0.000 0.507 307 G N -2.561 106.236 108.800 -0.005 0.000 2.291 307 G HA2 0.631 4.609 3.960 0.030 0.000 0.249 307 G HA3 0.631 4.609 3.960 0.030 0.000 0.249 307 G C -0.477 174.391 174.900 -0.052 0.000 1.340 307 G CA 0.811 45.898 45.100 -0.021 0.000 1.017 307 G HN 1.973 nan 8.290 nan 0.000 0.470 308 T N -1.207 113.316 114.554 -0.051 0.000 2.932 308 T HA 0.591 4.959 4.350 0.030 0.000 0.318 308 T C -1.010 173.664 174.700 -0.043 0.000 1.265 308 T CA 0.173 62.230 62.100 -0.072 0.000 1.036 308 T CB 1.963 70.783 68.868 -0.080 0.000 1.209 308 T HN 0.329 nan 8.240 nan 0.000 0.484 309 D N 1.451 121.827 120.400 -0.040 0.000 2.449 309 D HA 0.182 4.840 4.640 0.030 0.000 0.210 309 D C 0.712 177.049 176.300 0.061 0.000 1.094 309 D CA 0.401 54.405 54.000 0.007 0.000 0.846 309 D CB 0.580 41.385 40.800 0.009 0.000 1.003 309 D HN 0.680 nan 8.370 nan 0.000 0.504 310 N N -0.746 117.986 118.700 0.054 0.000 3.364 310 N HA -0.012 4.746 4.740 0.030 0.000 0.337 310 N C 1.169 176.731 175.510 0.087 0.000 1.448 310 N CA -0.197 52.932 53.050 0.132 0.000 0.645 310 N CB -0.373 38.252 38.487 0.231 0.000 1.938 310 N HN -0.133 nan 8.380 nan 0.000 0.541 311 H N -1.072 118.009 119.070 0.017 0.000 2.547 311 H HA 0.295 4.869 4.556 0.031 0.000 0.272 311 H C 0.137 175.461 175.328 -0.007 0.000 0.971 311 H CA -0.033 56.015 56.048 -0.000 0.000 1.245 311 H CB -0.246 29.526 29.762 0.016 0.000 1.440 311 H HN 0.493 nan 8.280 nan 0.000 0.540 312 L N 0.264 121.120 121.223 -0.611 0.000 2.319 312 L HA 0.668 5.026 4.340 0.030 0.000 0.267 312 L C -0.998 175.715 176.870 -0.263 0.000 1.011 312 L CA -1.521 53.050 54.840 -0.450 0.000 0.818 312 L CB 2.143 43.835 42.059 -0.612 0.000 1.316 312 L HN 0.055 nan 8.230 nan 0.000 0.432 313 L N 0.038 121.148 121.223 -0.189 0.000 2.424 313 L HA 0.816 5.174 4.340 0.030 0.000 0.258 313 L C -1.387 175.401 176.870 -0.136 0.000 0.995 313 L CA -0.798 53.954 54.840 -0.147 0.000 0.821 313 L CB 1.884 43.879 42.059 -0.107 0.000 1.383 313 L HN 0.632 nan 8.230 nan 0.000 0.410 314 L N 2.061 123.208 121.223 -0.127 0.000 2.341 314 L HA 0.716 5.074 4.340 0.030 0.000 0.278 314 L C -0.726 176.078 176.870 -0.110 0.000 1.005 314 L CA -0.927 53.840 54.840 -0.121 0.000 0.818 314 L CB 2.197 44.181 42.059 -0.126 0.000 1.259 314 L HN 0.477 nan 8.230 nan 0.000 0.418 315 V N 1.648 121.497 119.914 -0.110 0.000 2.383 315 V HA 0.142 4.280 4.120 0.030 0.000 0.275 315 V C -0.207 175.854 176.094 -0.056 0.000 1.036 315 V CA -0.512 61.733 62.300 -0.091 0.000 0.889 315 V CB 1.393 33.111 31.823 -0.175 0.000 0.985 315 V HN 0.611 nan 8.190 nan 0.000 0.459 316 D N 4.442 124.828 120.400 -0.024 0.000 2.352 316 D HA 0.202 4.860 4.640 0.030 0.000 0.245 316 D C 0.666 176.998 176.300 0.052 0.000 1.224 316 D CA 0.071 54.066 54.000 -0.009 0.000 0.879 316 D CB 1.083 41.872 40.800 -0.019 0.000 1.057 316 D HN 0.455 nan 8.370 nan 0.000 0.491 317 L N 3.602 124.852 121.223 0.045 0.000 2.567 317 L HA 0.171 4.529 4.340 0.030 0.000 0.225 317 L C 2.355 179.267 176.870 0.071 0.000 1.119 317 L CA -0.106 54.785 54.840 0.085 0.000 0.871 317 L CB 0.004 42.099 42.059 0.059 0.000 1.036 317 L HN 0.299 nan 8.230 nan 0.000 0.459 318 R N 0.552 121.081 120.500 0.048 0.000 2.103 318 R HA -0.183 4.175 4.340 0.030 0.000 0.242 318 R C -0.336 175.986 176.300 0.036 0.000 1.142 318 R CA 1.584 57.707 56.100 0.038 0.000 0.960 318 R CB -1.614 28.706 30.300 0.033 0.000 0.858 318 R HN 0.309 nan 8.270 nan 0.000 0.439 319 P HA -0.176 nan 4.420 nan 0.000 0.216 319 P C 0.587 177.895 177.300 0.014 0.000 1.154 319 P CA 1.437 64.550 63.100 0.021 0.000 0.865 319 P CB 0.057 31.767 31.700 0.017 0.000 0.789 320 Q N -1.030 118.790 119.800 0.033 0.000 2.322 320 Q HA 0.077 4.435 4.340 0.030 0.000 0.203 320 Q C 0.148 176.169 176.000 0.035 0.000 0.923 320 Q CA 0.174 55.994 55.803 0.029 0.000 0.949 320 Q CB -0.559 28.218 28.738 0.065 0.000 1.039 320 Q HN 0.094 nan 8.270 nan 0.000 0.496 321 Q N -0.259 119.560 119.800 0.032 0.000 2.435 321 Q HA -0.216 4.141 4.340 0.030 0.000 0.312 321 Q C -1.038 174.982 176.000 0.034 0.000 1.333 321 Q CA 0.880 56.700 55.803 0.029 0.000 0.883 321 Q CB -1.777 26.974 28.738 0.020 0.000 1.170 321 Q HN 0.437 nan 8.270 nan 0.000 0.443 322 L N -0.120 121.129 121.223 0.044 0.000 2.342 322 L HA 0.532 4.890 4.340 0.030 0.000 0.271 322 L C 0.869 177.761 176.870 0.035 0.000 1.008 322 L CA -0.674 54.192 54.840 0.044 0.000 0.818 322 L CB 1.956 44.051 42.059 0.060 0.000 1.296 322 L HN 0.117 nan 8.230 nan 0.000 0.427 323 T N -1.819 112.753 114.554 0.029 0.000 2.934 323 T HA 0.300 4.668 4.350 0.030 0.000 0.283 323 T C 1.208 175.917 174.700 0.016 0.000 1.005 323 T CA -0.142 61.971 62.100 0.023 0.000 1.041 323 T CB 1.710 70.592 68.868 0.025 0.000 1.042 323 T HN 0.694 nan 8.240 nan 0.000 0.505 324 G N 0.432 109.236 108.800 0.006 0.000 2.442 324 G HA2 -0.227 3.751 3.960 0.030 0.000 0.219 324 G HA3 -0.227 3.751 3.960 0.030 0.000 0.219 324 G C 1.353 176.254 174.900 0.002 0.000 1.141 324 G CA 0.881 45.978 45.100 -0.005 0.000 0.763 324 G HN 0.826 nan 8.290 nan 0.000 0.554 325 K N -0.205 120.203 120.400 0.013 0.000 2.032 325 K HA -0.116 4.222 4.320 0.030 0.000 0.209 325 K C 2.616 179.227 176.600 0.018 0.000 1.048 325 K CA 1.774 58.073 56.287 0.021 0.000 0.927 325 K CB -0.315 32.205 32.500 0.033 0.000 0.712 325 K HN 0.298 nan 8.250 nan 0.000 0.441 326 T N 0.680 115.246 114.554 0.019 0.000 2.746 326 T HA -0.117 4.251 4.350 0.030 0.000 0.267 326 T C 1.859 176.569 174.700 0.017 0.000 1.039 326 T CA 1.318 63.430 62.100 0.020 0.000 1.142 326 T CB -0.270 68.612 68.868 0.024 0.000 0.866 326 T HN 0.402 nan 8.240 nan 0.000 0.444 327 A N 1.337 124.165 122.820 0.013 0.000 1.902 327 A HA -0.126 4.212 4.320 0.030 0.000 0.217 327 A C 2.229 179.810 177.584 -0.004 0.000 1.181 327 A CA 1.846 53.886 52.037 0.004 0.000 0.623 327 A CB -0.625 18.369 19.000 -0.010 0.000 0.818 327 A HN 0.602 nan 8.150 nan 0.000 0.443 328 E N -0.143 120.054 120.200 -0.005 0.000 2.077 328 E HA -0.246 4.122 4.350 0.030 0.000 0.193 328 E C 2.114 178.716 176.600 0.003 0.000 0.989 328 E CA 1.510 57.907 56.400 -0.005 0.000 0.800 328 E CB -0.142 29.556 29.700 -0.002 0.000 0.746 328 E HN 0.598 nan 8.360 nan 0.000 0.452 329 K N 0.341 120.746 120.400 0.009 0.000 2.002 329 K HA -0.134 4.204 4.320 0.030 0.000 0.209 329 K C 2.161 178.768 176.600 0.012 0.000 1.048 329 K CA 1.408 57.702 56.287 0.012 0.000 0.930 329 K CB -0.252 32.257 32.500 0.015 0.000 0.714 329 K HN 0.139 nan 8.250 nan 0.000 0.438 330 V N 1.407 121.329 119.914 0.014 0.000 2.548 330 V HA -0.152 3.986 4.120 0.030 0.000 0.249 330 V C 2.068 178.171 176.094 0.015 0.000 1.055 330 V CA 1.287 63.597 62.300 0.017 0.000 1.065 330 V CB -0.127 31.709 31.823 0.022 0.000 0.681 330 V HN 0.320 nan 8.190 nan 0.000 0.462 331 L N -0.030 121.198 121.223 0.009 0.000 2.217 331 L HA -0.106 4.252 4.340 0.030 0.000 0.211 331 L C 2.239 179.114 176.870 0.008 0.000 1.107 331 L CA 1.830 56.673 54.840 0.005 0.000 0.783 331 L CB -0.506 41.548 42.059 -0.009 0.000 0.919 331 L HN 0.419 nan 8.230 nan 0.000 0.442 332 D N 0.182 120.587 120.400 0.008 0.000 2.219 332 D HA -0.195 4.463 4.640 0.030 0.000 0.205 332 D C 1.971 178.279 176.300 0.014 0.000 0.970 332 D CA 0.996 55.003 54.000 0.011 0.000 0.851 332 D CB 0.223 41.029 40.800 0.010 0.000 0.943 332 D HN 0.293 nan 8.370 nan 0.000 0.488 333 E N -0.685 119.524 120.200 0.015 0.000 2.274 333 E HA -0.079 4.288 4.350 0.030 0.000 0.194 333 E C 2.011 178.622 176.600 0.018 0.000 0.996 333 E CA 0.892 57.301 56.400 0.016 0.000 0.840 333 E CB 0.364 30.074 29.700 0.016 0.000 0.772 333 E HN 0.398 nan 8.360 nan 0.000 0.491 334 V N -4.149 115.776 119.914 0.019 0.000 3.644 334 V HA 0.438 4.576 4.120 0.030 0.000 0.267 334 V C 1.235 177.343 176.094 0.024 0.000 1.277 334 V CA 0.579 62.892 62.300 0.022 0.000 1.096 334 V CB 0.556 32.394 31.823 0.025 0.000 0.828 334 V HN 0.218 nan 8.190 nan 0.000 0.446 335 G N 0.715 109.528 108.800 0.021 0.000 2.154 335 G HA2 -0.137 3.841 3.960 0.030 0.000 0.186 335 G HA3 -0.137 3.841 3.960 0.030 0.000 0.186 335 G C -0.224 174.688 174.900 0.020 0.000 1.000 335 G CA -0.001 45.112 45.100 0.023 0.000 0.664 335 G HN 0.532 nan 8.290 nan 0.000 0.513 336 I N 2.359 122.937 120.570 0.014 0.000 2.321 336 I HA 0.359 4.546 4.170 0.030 0.000 0.291 336 I C 0.065 176.181 176.117 -0.001 0.000 0.998 336 I CA -0.485 60.819 61.300 0.006 0.000 1.227 336 I CB 1.694 39.695 38.000 0.002 0.000 1.368 336 I HN 0.018 nan 8.210 nan 0.000 0.466 337 T N 6.613 121.165 114.554 -0.003 0.000 2.738 337 T HA 0.467 4.835 4.350 0.030 0.000 0.298 337 T C 0.044 174.736 174.700 -0.014 0.000 0.962 337 T CA -0.542 61.556 62.100 -0.004 0.000 0.972 337 T CB 0.808 69.678 68.868 0.004 0.000 0.928 337 T HN 0.421 nan 8.240 nan 0.000 0.474 338 V N 1.106 121.010 119.914 -0.017 0.000 3.155 338 V HA 0.791 4.929 4.120 0.030 0.000 0.313 338 V C -0.861 175.223 176.094 -0.017 0.000 1.162 338 V CA -1.383 60.902 62.300 -0.025 0.000 1.048 338 V CB 2.354 34.151 31.823 -0.042 0.000 1.092 338 V HN 0.874 nan 8.190 nan 0.000 0.447 339 N N 0.217 118.905 118.700 -0.021 0.000 2.258 339 N HA 0.339 5.097 4.740 0.030 0.000 0.299 339 N C -0.829 174.663 175.510 -0.028 0.000 1.047 339 N CA -0.815 52.225 53.050 -0.017 0.000 0.814 339 N CB 2.582 41.065 38.487 -0.006 0.000 1.413 339 N HN 0.979 nan 8.380 nan 0.000 0.478 340 K N 1.459 121.844 120.400 -0.025 0.000 2.485 340 K HA 0.068 4.406 4.320 0.030 0.000 0.277 340 K C -0.985 175.587 176.600 -0.046 0.000 0.990 340 K CA 0.017 56.285 56.287 -0.031 0.000 0.994 340 K CB 0.311 32.800 32.500 -0.017 0.000 0.906 340 K HN 0.696 nan 8.250 nan 0.000 0.488 341 N N 0.926 119.594 118.700 -0.054 0.000 2.406 341 N HA 0.065 4.823 4.740 0.030 0.000 0.283 341 N C -1.693 173.778 175.510 -0.066 0.000 1.074 341 N CA -0.593 52.418 53.050 -0.065 0.000 0.916 341 N CB 1.793 40.240 38.487 -0.065 0.000 1.639 341 N HN 0.743 nan 8.380 nan 0.000 0.485 342 T N 1.211 115.721 114.554 -0.073 0.000 2.867 342 T HA 0.282 4.650 4.350 0.030 0.000 0.297 342 T C 0.798 175.459 174.700 -0.065 0.000 0.989 342 T CA -0.458 61.604 62.100 -0.064 0.000 1.159 342 T CB -0.390 68.437 68.868 -0.069 0.000 0.928 342 T HN 0.423 nan 8.240 nan 0.000 0.538 343 I N 0.842 121.372 120.570 -0.066 0.000 2.713 343 I HA 0.557 4.745 4.170 0.030 0.000 0.300 343 I C -2.660 173.398 176.117 -0.098 0.000 1.009 343 I CA -3.329 57.914 61.300 -0.095 0.000 1.305 343 I CB 0.049 37.986 38.000 -0.104 0.000 1.430 343 I HN 0.301 nan 8.210 nan 0.000 0.546 344 P HA -0.000 nan 4.420 nan 0.000 0.264 344 P C -1.236 176.061 177.300 -0.004 0.000 1.183 344 P CA 0.616 63.551 63.100 -0.275 0.000 0.763 344 P CB -0.163 31.456 31.700 -0.135 0.000 0.807 345 Y N -0.577 119.627 120.300 -0.160 0.000 3.389 345 Y HA -0.254 4.314 4.550 0.030 0.000 0.213 345 Y C 0.752 176.652 175.900 0.001 0.000 1.272 345 Y CA 0.389 58.483 58.100 -0.009 0.000 1.444 345 Y CB -2.292 36.172 38.460 0.006 0.000 1.445 345 Y HN 0.400 nan 8.280 nan 0.000 0.583 346 D N 1.885 122.326 120.400 0.069 0.000 2.371 346 D HA 0.070 4.728 4.640 0.030 0.000 0.256 346 D C -0.715 175.619 176.300 0.057 0.000 1.193 346 D CA -1.209 52.819 54.000 0.046 0.000 0.881 346 D CB 1.191 41.995 40.800 0.006 0.000 1.143 346 D HN 0.168 nan 8.370 nan 0.000 0.473 347 P HA -0.055 nan 4.420 nan 0.000 0.219 347 P C 0.098 177.423 177.300 0.042 0.000 1.150 347 P CA 0.664 63.795 63.100 0.052 0.000 0.814 347 P CB 0.527 32.255 31.700 0.047 0.000 0.787 348 E N 0.870 121.091 120.200 0.035 0.000 2.343 348 E HA 0.178 4.546 4.350 0.030 0.000 0.269 348 E C 0.588 177.209 176.600 0.035 0.000 1.047 348 E CA -0.167 56.255 56.400 0.036 0.000 0.874 348 E CB 0.922 30.641 29.700 0.031 0.000 1.033 348 E HN 0.152 nan 8.360 nan 0.000 0.409 349 S N 2.026 117.760 115.700 0.057 0.000 2.576 349 S HA 0.079 4.567 4.470 0.030 0.000 0.272 349 S C -1.546 173.070 174.600 0.027 0.000 1.352 349 S CA -0.986 57.260 58.200 0.076 0.000 1.021 349 S CB 0.690 63.987 63.200 0.161 0.000 0.887 349 S HN 0.277 nan 8.310 nan 0.000 0.542 350 P HA -0.062 nan 4.420 nan 0.000 0.226 350 P C 0.537 177.617 177.300 -0.367 0.000 1.146 350 P CA 1.132 64.073 63.100 -0.265 0.000 0.773 350 P CB -0.222 31.217 31.700 -0.435 0.000 0.772 351 F N -1.698 118.243 119.950 -0.016 0.000 2.746 351 F HA 0.050 4.594 4.527 0.029 0.000 0.297 351 F C 2.155 177.949 175.800 -0.009 0.000 1.113 351 F CA 0.281 58.273 58.000 -0.014 0.000 1.367 351 F CB -0.123 38.870 39.000 -0.013 0.000 1.111 351 F HN -0.277 nan 8.300 nan 0.000 0.590 352 V N -1.771 118.223 119.914 0.133 0.000 2.854 352 V HA 0.118 4.256 4.120 0.030 0.000 0.236 352 V C 0.672 176.786 176.094 0.034 0.000 1.157 352 V CA 0.877 63.224 62.300 0.079 0.000 1.187 352 V CB -0.164 31.703 31.823 0.074 0.000 0.949 352 V HN 0.419 nan 8.190 nan 0.000 0.488 353 T N -1.043 113.521 114.554 0.017 0.000 0.541 353 T HA -0.241 4.127 4.350 0.030 0.000 0.774 353 T C 0.241 174.942 174.700 0.002 0.000 0.992 353 T CA 0.411 62.507 62.100 -0.007 0.000 4.077 353 T CB -1.481 67.370 68.868 -0.029 0.000 2.303 353 T HN 0.319 nan 8.240 nan 0.000 0.398 354 S N 0.617 116.313 115.700 -0.006 0.000 2.701 354 S HA 0.586 5.074 4.470 0.030 0.000 0.242 354 S C 0.738 175.331 174.600 -0.011 0.000 1.025 354 S CA 0.003 58.203 58.200 0.001 0.000 1.016 354 S CB 0.851 64.056 63.200 0.008 0.000 0.977 354 S HN 1.258 nan 8.310 nan 0.000 0.546 355 G N 1.513 110.296 108.800 -0.028 0.000 2.694 355 G HA2 0.736 4.714 3.960 0.030 0.000 0.290 355 G HA3 0.736 4.714 3.960 0.030 0.000 0.290 355 G C -1.347 173.521 174.900 -0.053 0.000 1.386 355 G CA -0.876 44.197 45.100 -0.045 0.000 0.872 355 G HN 0.293 nan 8.290 nan 0.000 0.475 356 I N -2.197 118.330 120.570 -0.072 0.000 2.689 356 I HA 0.770 4.958 4.170 0.030 0.000 0.299 356 I C -0.463 175.601 176.117 -0.089 0.000 1.059 356 I CA -1.264 59.990 61.300 -0.077 0.000 1.055 356 I CB 2.590 40.539 38.000 -0.085 0.000 1.243 356 I HN 0.443 nan 8.210 nan 0.000 0.425 357 R N 5.500 125.953 120.500 -0.078 0.000 2.294 357 R HA 0.746 5.104 4.340 0.030 0.000 0.319 357 R C -1.573 174.680 176.300 -0.077 0.000 0.984 357 R CA -0.546 55.503 56.100 -0.085 0.000 0.861 357 R CB 1.177 31.431 30.300 -0.076 0.000 1.104 357 R HN 0.794 nan 8.270 nan 0.000 0.451 358 I N 3.179 123.694 120.570 -0.092 0.000 2.466 358 I HA 0.429 4.617 4.170 0.030 0.000 0.289 358 I C 0.242 176.315 176.117 -0.074 0.000 1.026 358 I CA -0.818 60.436 61.300 -0.076 0.000 1.078 358 I CB 2.320 40.268 38.000 -0.087 0.000 1.249 358 I HN 0.707 nan 8.210 nan 0.000 0.429 359 G N 1.741 110.524 108.800 -0.028 0.000 2.498 359 G HA2 0.532 4.510 3.960 0.030 0.000 0.312 359 G HA3 0.532 4.510 3.960 0.030 0.000 0.312 359 G C 0.253 175.172 174.900 0.032 0.000 1.230 359 G CA -0.333 44.776 45.100 0.015 0.000 0.968 359 G HN 0.608 nan 8.290 nan 0.000 0.481 360 T N -2.299 112.290 114.554 0.058 0.000 3.044 360 T HA 0.374 4.742 4.350 0.030 0.000 0.260 360 T C 2.096 176.831 174.700 0.059 0.000 1.019 360 T CA 1.098 63.222 62.100 0.040 0.000 0.921 360 T CB 0.680 69.566 68.868 0.030 0.000 1.053 360 T HN 0.660 nan 8.240 nan 0.000 0.533 361 A N 1.956 124.834 122.820 0.096 0.000 1.883 361 A HA 0.264 4.602 4.320 0.030 0.000 0.217 361 A C 2.694 180.386 177.584 0.180 0.000 1.186 361 A CA 1.840 53.947 52.037 0.117 0.000 0.624 361 A CB -1.350 17.719 19.000 0.115 0.000 0.822 361 A HN 0.725 nan 8.150 nan 0.000 0.444 362 A N -0.155 122.718 122.820 0.090 0.000 1.855 362 A HA 0.024 4.362 4.320 0.030 0.000 0.215 362 A C 2.328 180.048 177.584 0.227 0.000 1.191 362 A CA 2.240 54.329 52.037 0.086 0.000 0.613 362 A CB -1.311 17.604 19.000 -0.141 0.000 0.829 362 A HN 1.119 nan 8.150 nan 0.000 0.442 363 V N -2.334 117.599 119.914 0.032 0.000 2.490 363 V HA -0.177 3.961 4.120 0.030 0.000 0.250 363 V C 2.151 178.249 176.094 0.007 0.000 1.061 363 V CA 2.600 64.763 62.300 -0.229 0.000 1.064 363 V CB -1.957 29.519 31.823 -0.578 0.000 0.670 363 V HN 0.428 nan 8.190 nan 0.000 0.461 364 T N 0.521 115.169 114.554 0.156 0.000 2.867 364 T HA -0.132 4.236 4.350 0.030 0.000 0.268 364 T C 1.909 176.844 174.700 0.393 0.000 1.057 364 T CA 2.019 64.276 62.100 0.262 0.000 1.136 364 T CB -0.583 68.373 68.868 0.147 0.000 0.874 364 T HN 0.669 nan 8.240 nan 0.000 0.466 365 T N 1.984 116.786 114.554 0.413 0.000 2.788 365 T HA -0.059 4.309 4.350 0.030 0.000 0.268 365 T C 2.058 176.855 174.700 0.162 0.000 1.044 365 T CA 0.738 62.983 62.100 0.241 0.000 1.139 365 T CB -0.098 68.913 68.868 0.238 0.000 0.867 365 T HN 0.192 nan 8.240 nan 0.000 0.454 366 R N 0.533 121.129 120.500 0.160 0.000 2.280 366 R HA 0.098 4.456 4.340 0.030 0.000 0.207 366 R C 1.863 178.293 176.300 0.218 0.000 1.043 366 R CA 0.811 56.975 56.100 0.107 0.000 1.006 366 R CB -0.548 29.767 30.300 0.026 0.000 0.885 366 R HN 0.597 nan 8.270 nan 0.000 0.467 367 G N -0.106 108.858 108.800 0.273 0.000 2.159 367 G HA2 -0.217 3.761 3.960 0.030 0.000 0.170 367 G HA3 -0.217 3.761 3.960 0.030 0.000 0.170 367 G C -0.006 175.044 174.900 0.252 0.000 1.007 367 G CA -0.631 44.602 45.100 0.221 0.000 0.672 367 G HN 0.238 nan 8.290 nan 0.000 0.507 368 F N 1.576 121.558 119.950 0.054 0.000 2.543 368 F HA 0.449 4.994 4.527 0.030 0.000 0.375 368 F C 1.511 177.334 175.800 0.038 0.000 1.075 368 F CA 0.713 58.738 58.000 0.041 0.000 1.225 368 F CB 1.025 40.053 39.000 0.046 0.000 1.099 368 F HN 0.211 nan 8.300 nan 0.000 0.561 369 G N 3.138 111.993 108.800 0.092 0.000 2.971 369 G HA2 0.387 4.365 3.960 0.030 0.000 0.235 369 G HA3 0.387 4.365 3.960 0.030 0.000 0.235 369 G C 0.694 175.626 174.900 0.052 0.000 1.351 369 G CA -0.779 44.358 45.100 0.063 0.000 1.039 369 G HN 0.589 nan 8.290 nan 0.000 0.563 370 L N -0.153 121.088 121.223 0.030 0.000 2.141 370 L HA -0.032 4.325 4.340 0.030 0.000 0.209 370 L C 2.804 179.684 176.870 0.017 0.000 1.094 370 L CA 0.927 55.783 54.840 0.026 0.000 0.763 370 L CB -0.284 41.785 42.059 0.017 0.000 0.908 370 L HN 0.391 nan 8.230 nan 0.000 0.437 371 E N 0.632 120.829 120.200 -0.005 0.000 2.051 371 E HA -0.198 4.170 4.350 0.030 0.000 0.192 371 E C 2.028 178.614 176.600 -0.023 0.000 0.991 371 E CA 1.383 57.772 56.400 -0.020 0.000 0.799 371 E CB -0.230 29.446 29.700 -0.041 0.000 0.748 371 E HN 0.609 nan 8.360 nan 0.000 0.449 372 E N 0.290 120.459 120.200 -0.052 0.000 2.347 372 E HA -0.083 4.285 4.350 0.030 0.000 0.196 372 E C 1.862 178.512 176.600 0.085 0.000 1.008 372 E CA 0.411 56.779 56.400 -0.053 0.000 0.852 372 E CB -0.221 29.293 29.700 -0.310 0.000 0.783 372 E HN 0.180 nan 8.360 nan 0.000 0.505 373 M N 1.802 121.458 119.600 0.093 0.000 2.117 373 M HA -0.094 4.404 4.480 0.030 0.000 0.262 373 M C 1.244 177.585 176.300 0.069 0.000 1.065 373 M CA 1.293 56.653 55.300 0.100 0.000 1.114 373 M CB -0.762 31.884 32.600 0.077 0.000 1.361 373 M HN 0.007 nan 8.290 nan 0.000 0.408 374 D N -0.223 120.206 120.400 0.049 0.000 2.178 374 D HA -0.150 4.508 4.640 0.030 0.000 0.202 374 D C 1.974 178.301 176.300 0.046 0.000 0.974 374 D CA 0.997 55.023 54.000 0.042 0.000 0.841 374 D CB -0.192 40.626 40.800 0.029 0.000 0.953 374 D HN 0.358 nan 8.370 nan 0.000 0.478 375 E N 0.907 121.133 120.200 0.043 0.000 2.046 375 E HA -0.057 4.311 4.350 0.030 0.000 0.190 375 E C 2.116 178.755 176.600 0.065 0.000 0.982 375 E CA 0.545 56.971 56.400 0.043 0.000 0.800 375 E CB -0.365 29.349 29.700 0.023 0.000 0.756 375 E HN 0.215 nan 8.360 nan 0.000 0.449 376 I N 0.709 121.333 120.570 0.089 0.000 2.151 376 I HA -0.332 3.856 4.170 0.030 0.000 0.243 376 I C 2.355 178.508 176.117 0.059 0.000 1.080 376 I CA 1.388 62.742 61.300 0.090 0.000 1.339 376 I CB -0.413 37.657 38.000 0.115 0.000 1.039 376 I HN 0.213 nan 8.210 nan 0.000 0.409 377 A N 0.400 123.256 122.820 0.060 0.000 1.969 377 A HA -0.093 4.245 4.320 0.030 0.000 0.218 377 A C 2.504 180.149 177.584 0.102 0.000 1.169 377 A CA 1.670 53.746 52.037 0.066 0.000 0.635 377 A CB -0.700 18.343 19.000 0.072 0.000 0.810 377 A HN 0.446 nan 8.150 nan 0.000 0.445 378 A N 0.006 122.876 122.820 0.083 0.000 1.898 378 A HA -0.012 4.326 4.320 0.030 0.000 0.216 378 A C 2.073 179.707 177.584 0.083 0.000 1.181 378 A CA 1.395 53.481 52.037 0.081 0.000 0.620 378 A CB -0.536 18.497 19.000 0.055 0.000 0.819 378 A HN 0.482 nan 8.150 nan 0.000 0.442 379 I N -0.311 120.301 120.570 0.070 0.000 2.252 379 I HA -0.234 3.954 4.170 0.030 0.000 0.245 379 I C 2.227 178.387 176.117 0.072 0.000 1.102 379 I CA 1.208 62.546 61.300 0.063 0.000 1.385 379 I CB -0.331 37.701 38.000 0.053 0.000 1.064 379 I HN 0.268 nan 8.210 nan 0.000 0.414 380 I N 0.839 121.448 120.570 0.065 0.000 2.264 380 I HA -0.231 3.957 4.170 0.030 0.000 0.248 380 I C 2.636 178.865 176.117 0.187 0.000 1.111 380 I CA 1.645 62.971 61.300 0.043 0.000 1.382 380 I CB -0.826 37.123 38.000 -0.085 0.000 1.060 380 I HN 0.284 nan 8.210 nan 0.000 0.418 381 G N 0.857 109.835 108.800 0.297 0.000 2.402 381 G HA2 -0.244 3.734 3.960 0.030 0.000 0.216 381 G HA3 -0.244 3.734 3.960 0.030 0.000 0.216 381 G C 1.655 176.660 174.900 0.176 0.000 1.162 381 G CA 0.525 45.839 45.100 0.358 0.000 0.777 381 G HN 0.273 nan 8.290 nan 0.000 0.539 382 L N 0.683 121.976 121.223 0.117 0.000 2.046 382 L HA -0.019 4.339 4.340 0.030 0.000 0.208 382 L C 2.865 179.778 176.870 0.073 0.000 1.077 382 L CA 1.448 56.332 54.840 0.073 0.000 0.747 382 L CB -0.367 41.726 42.059 0.056 0.000 0.896 382 L HN 0.083 nan 8.230 nan 0.000 0.432 383 V N -0.401 119.564 119.914 0.084 0.000 2.244 383 V HA -0.265 3.873 4.120 0.030 0.000 0.244 383 V C 2.390 178.535 176.094 0.085 0.000 1.042 383 V CA 2.042 64.384 62.300 0.070 0.000 1.006 383 V CB -0.488 31.368 31.823 0.055 0.000 0.641 383 V HN 0.416 nan 8.190 nan 0.000 0.446 384 L N -0.614 120.691 121.223 0.137 0.000 2.395 384 L HA -0.040 4.318 4.340 0.030 0.000 0.218 384 L C 2.129 179.078 176.870 0.131 0.000 1.130 384 L CA 1.147 56.084 54.840 0.161 0.000 0.826 384 L CB -0.405 41.818 42.059 0.273 0.000 0.941 384 L HN 0.302 nan 8.230 nan 0.000 0.451 385 K N 0.104 120.564 120.400 0.100 0.000 2.374 385 K HA 0.122 4.460 4.320 0.030 0.000 0.196 385 K C -0.123 176.492 176.600 0.026 0.000 1.023 385 K CA 0.162 56.469 56.287 0.034 0.000 1.103 385 K CB 0.296 32.786 32.500 -0.016 0.000 0.848 385 K HN 0.299 nan 8.250 nan 0.000 0.528 386 N N 0.228 118.951 118.700 0.038 0.000 2.672 386 N HA 0.045 4.803 4.740 0.030 0.000 0.295 386 N C 0.402 175.930 175.510 0.031 0.000 1.924 386 N CA -0.124 52.942 53.050 0.028 0.000 0.851 386 N CB 1.403 39.905 38.487 0.025 0.000 1.281 386 N HN -0.212 nan 8.380 nan 0.000 0.494 387 V N -0.456 119.477 119.914 0.033 0.000 2.407 387 V HA -0.131 4.007 4.120 0.030 0.000 0.248 387 V C 2.306 178.414 176.094 0.024 0.000 1.055 387 V CA 2.298 64.617 62.300 0.031 0.000 1.049 387 V CB -0.589 31.253 31.823 0.032 0.000 0.662 387 V HN 0.622 nan 8.190 nan 0.000 0.455 388 G N -1.043 107.769 108.800 0.020 0.000 2.511 388 G HA2 -0.113 3.865 3.960 0.030 0.000 0.217 388 G HA3 -0.113 3.865 3.960 0.030 0.000 0.217 388 G C 0.950 175.859 174.900 0.015 0.000 1.133 388 G CA 0.732 45.842 45.100 0.016 0.000 0.792 388 G HN 0.476 nan 8.290 nan 0.000 0.539 389 S N 0.471 116.180 115.700 0.016 0.000 2.439 389 S HA 0.260 4.748 4.470 0.030 0.000 0.282 389 S C 1.177 175.786 174.600 0.016 0.000 1.170 389 S CA -0.519 57.690 58.200 0.015 0.000 1.054 389 S CB 0.772 63.981 63.200 0.015 0.000 0.956 389 S HN 0.242 nan 8.310 nan 0.000 0.490 390 E N 3.563 123.772 120.200 0.014 0.000 2.274 390 E HA -0.117 4.251 4.350 0.030 0.000 0.194 390 E C 1.653 178.262 176.600 0.015 0.000 0.996 390 E CA 0.602 57.011 56.400 0.015 0.000 0.840 390 E CB -0.004 29.704 29.700 0.013 0.000 0.772 390 E HN 0.792 nan 8.360 nan 0.000 0.491 391 Q N 0.783 120.591 119.800 0.014 0.000 2.084 391 Q HA -0.108 4.250 4.340 0.030 0.000 0.202 391 Q C 1.998 178.008 176.000 0.016 0.000 0.978 391 Q CA 1.922 57.733 55.803 0.013 0.000 0.844 391 Q CB -0.188 28.557 28.738 0.012 0.000 0.898 391 Q HN 0.252 nan 8.270 nan 0.000 0.426 392 A N -0.192 122.639 122.820 0.018 0.000 1.898 392 A HA -0.099 4.239 4.320 0.030 0.000 0.216 392 A C 1.989 179.588 177.584 0.024 0.000 1.181 392 A CA 1.143 53.193 52.037 0.022 0.000 0.620 392 A CB -0.614 18.401 19.000 0.024 0.000 0.819 392 A HN 0.430 nan 8.150 nan 0.000 0.442 393 L N -0.871 120.365 121.223 0.023 0.000 2.156 393 L HA -0.134 4.224 4.340 0.030 0.000 0.208 393 L C 2.584 179.467 176.870 0.022 0.000 1.095 393 L CA 1.556 56.410 54.840 0.024 0.000 0.770 393 L CB -0.419 41.654 42.059 0.022 0.000 0.914 393 L HN 0.460 nan 8.230 nan 0.000 0.439 394 E N 0.782 120.993 120.200 0.019 0.000 2.107 394 E HA -0.244 4.124 4.350 0.030 0.000 0.191 394 E C 2.016 178.627 176.600 0.019 0.000 0.982 394 E CA 1.266 57.677 56.400 0.018 0.000 0.809 394 E CB 0.013 29.723 29.700 0.015 0.000 0.756 394 E HN 0.376 nan 8.360 nan 0.000 0.459 395 E N -0.381 119.831 120.200 0.019 0.000 2.077 395 E HA -0.202 4.165 4.350 0.030 0.000 0.193 395 E C 1.912 178.526 176.600 0.024 0.000 0.989 395 E CA 1.090 57.502 56.400 0.020 0.000 0.800 395 E CB -0.223 29.488 29.700 0.019 0.000 0.746 395 E HN 0.337 nan 8.360 nan 0.000 0.452 396 A N 1.366 124.202 122.820 0.027 0.000 1.933 396 A HA -0.191 4.147 4.320 0.030 0.000 0.218 396 A C 2.186 179.788 177.584 0.030 0.000 1.175 396 A CA 1.519 53.574 52.037 0.031 0.000 0.628 396 A CB -0.543 18.478 19.000 0.034 0.000 0.814 396 A HN 0.196 nan 8.150 nan 0.000 0.444 397 R N -0.540 119.976 120.500 0.027 0.000 2.105 397 R HA -0.183 4.175 4.340 0.030 0.000 0.239 397 R C 2.326 178.643 176.300 0.027 0.000 1.135 397 R CA 1.922 58.038 56.100 0.026 0.000 0.967 397 R CB -0.237 30.077 30.300 0.023 0.000 0.861 397 R HN 0.707 nan 8.270 nan 0.000 0.442 398 Q N -0.754 119.061 119.800 0.024 0.000 2.172 398 Q HA -0.087 4.270 4.340 0.030 0.000 0.200 398 Q C 2.008 178.023 176.000 0.024 0.000 0.964 398 Q CA 1.137 56.954 55.803 0.023 0.000 0.855 398 Q CB 0.159 28.908 28.738 0.019 0.000 0.918 398 Q HN 0.286 nan 8.270 nan 0.000 0.444 399 R N -0.380 120.136 120.500 0.027 0.000 2.193 399 R HA -0.017 4.341 4.340 0.030 0.000 0.213 399 R C 2.101 178.425 176.300 0.040 0.000 1.055 399 R CA 0.534 56.651 56.100 0.029 0.000 0.995 399 R CB 0.098 30.415 30.300 0.030 0.000 0.893 399 R HN 0.059 nan 8.270 nan 0.000 0.459 400 V N 0.699 120.640 119.914 0.045 0.000 2.379 400 V HA -0.158 3.980 4.120 0.030 0.000 0.245 400 V C 2.299 178.426 176.094 0.055 0.000 1.044 400 V CA 1.944 64.279 62.300 0.058 0.000 1.036 400 V CB -0.389 31.463 31.823 0.048 0.000 0.664 400 V HN 0.364 nan 8.190 nan 0.000 0.453 401 A N -0.145 122.700 122.820 0.040 0.000 2.015 401 A HA 0.009 4.347 4.320 0.030 0.000 0.219 401 A C 2.350 179.952 177.584 0.030 0.000 1.163 401 A CA 1.678 53.736 52.037 0.036 0.000 0.646 401 A CB -0.523 18.497 19.000 0.033 0.000 0.806 401 A HN 0.537 nan 8.150 nan 0.000 0.448 402 A N -0.341 122.494 122.820 0.024 0.000 1.968 402 A HA 0.073 4.411 4.320 0.030 0.000 0.217 402 A C 2.089 179.670 177.584 -0.006 0.000 1.169 402 A CA 1.277 53.319 52.037 0.009 0.000 0.638 402 A CB -0.427 18.575 19.000 0.003 0.000 0.812 402 A HN 0.458 nan 8.150 nan 0.000 0.446 403 L N -0.302 120.929 121.223 0.013 0.000 2.131 403 L HA -0.068 4.290 4.340 0.030 0.000 0.206 403 L C 2.260 179.159 176.870 0.050 0.000 1.087 403 L CA 1.559 56.396 54.840 -0.005 0.000 0.767 403 L CB -0.420 41.701 42.059 0.102 0.000 0.917 403 L HN 0.537 nan 8.230 nan 0.000 0.441 404 T N -3.393 111.207 114.554 0.077 0.000 3.278 404 T HA 0.065 4.433 4.350 0.030 0.000 0.251 404 T C 0.428 175.095 174.700 -0.054 0.000 1.039 404 T CA -0.403 61.701 62.100 0.006 0.000 0.935 404 T CB -0.412 68.426 68.868 -0.050 0.000 1.034 404 T HN 0.412 nan 8.240 nan 0.000 0.575 405 D N 0.000 120.402 120.400 0.003 0.000 6.856 405 D HA 0.000 4.658 4.640 0.030 0.000 0.175 405 D CA 0.000 54.024 54.000 0.040 0.000 0.868 405 D CB 0.000 40.841 40.800 0.068 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683