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 1kl2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE 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 0.000 176.224 176.300 -0.127 0.000 1.140 1 M CA 0.000 55.305 55.300 0.009 0.000 0.988 1 M CB 0.000 32.673 32.600 0.123 0.000 1.302 2 K N 1.183 121.481 120.400 -0.170 0.000 2.267 2 K HA 0.222 4.558 4.320 0.026 0.000 0.213 2 K C 0.959 177.283 176.600 -0.461 0.000 1.060 2 K CA 0.749 56.799 56.287 -0.394 0.000 0.935 2 K CB 0.323 32.474 32.500 -0.583 0.000 1.096 2 K HN 0.645 nan 8.250 nan 0.000 0.468 3 Y N 1.121 121.370 120.300 -0.085 0.000 2.457 3 Y HA -0.090 4.474 4.550 0.023 0.000 0.292 3 Y C 1.935 177.779 175.900 -0.093 0.000 1.125 3 Y CA 0.188 58.239 58.100 -0.082 0.000 1.254 3 Y CB -0.077 38.350 38.460 -0.055 0.000 1.012 3 Y HN 0.128 nan 8.280 nan 0.000 0.555 4 L N 1.751 122.980 121.223 0.010 0.000 1.994 4 L HA -0.061 4.295 4.340 0.026 0.000 0.208 4 L C -0.629 176.163 176.870 -0.130 0.000 1.071 4 L CA 1.837 56.676 54.840 -0.002 0.000 0.745 4 L CB -1.728 40.388 42.059 0.096 0.000 0.892 4 L HN -0.014 nan 8.230 nan 0.000 0.431 5 P HA -0.211 nan 4.420 nan 0.000 0.216 5 P C 1.295 178.406 177.300 -0.316 0.000 1.150 5 P CA 1.612 64.253 63.100 -0.765 0.000 0.837 5 P CB -0.161 30.744 31.700 -1.324 0.000 0.786 6 Q N -0.461 119.205 119.800 -0.224 0.000 2.230 6 Q HA -0.142 4.214 4.340 0.026 0.000 0.202 6 Q C 2.288 178.258 176.000 -0.050 0.000 0.963 6 Q CA 1.099 56.831 55.803 -0.118 0.000 0.866 6 Q CB -0.264 28.416 28.738 -0.097 0.000 0.931 6 Q HN 0.362 nan 8.270 nan 0.000 0.452 7 Q N 0.204 119.989 119.800 -0.026 0.000 2.394 7 Q HA -0.006 4.349 4.340 0.026 0.000 0.218 7 Q C -0.120 175.888 176.000 0.013 0.000 0.907 7 Q CA 0.557 56.363 55.803 0.005 0.000 0.919 7 Q CB 0.932 29.685 28.738 0.024 0.000 1.051 7 Q HN -0.033 nan 8.270 nan 0.000 0.538 8 D N -0.049 120.366 120.400 0.024 0.000 2.405 8 D HA 0.183 4.839 4.640 0.026 0.000 0.264 8 D C -2.206 174.152 176.300 0.096 0.000 1.240 8 D CA -1.722 52.309 54.000 0.052 0.000 0.893 8 D CB 1.675 42.510 40.800 0.058 0.000 1.198 8 D HN 0.071 nan 8.370 nan 0.000 0.514 9 P HA -0.113 nan 4.420 nan 0.000 0.218 9 P C 1.400 178.786 177.300 0.143 0.000 1.149 9 P CA 0.968 64.148 63.100 0.133 0.000 0.817 9 P CB 0.740 32.485 31.700 0.075 0.000 0.785 10 Q N -0.514 119.337 119.800 0.085 0.000 2.050 10 Q HA -0.091 4.265 4.340 0.026 0.000 0.202 10 Q C 2.173 178.208 176.000 0.060 0.000 0.980 10 Q CA 1.363 57.202 55.803 0.059 0.000 0.840 10 Q CB -0.696 28.064 28.738 0.036 0.000 0.898 10 Q HN 0.079 nan 8.270 nan 0.000 0.424 11 V N 0.337 120.297 119.914 0.076 0.000 2.453 11 V HA -0.207 3.928 4.120 0.026 0.000 0.247 11 V C 1.847 177.987 176.094 0.077 0.000 1.048 11 V CA 1.429 63.767 62.300 0.063 0.000 1.049 11 V CB -0.490 31.369 31.823 0.061 0.000 0.672 11 V HN 0.332 nan 8.190 nan 0.000 0.457 12 F N 1.618 121.566 119.950 -0.004 0.000 2.186 12 F HA -0.091 4.435 4.527 -0.002 0.000 0.299 12 F C 2.201 177.996 175.800 -0.008 0.000 1.090 12 F CA 1.233 59.230 58.000 -0.006 0.000 1.307 12 F CB -0.431 38.564 39.000 -0.008 0.000 1.019 12 F HN 0.082 nan 8.300 nan 0.000 0.489 13 A N 0.362 123.127 122.820 -0.093 0.000 1.930 13 A HA 0.008 4.344 4.320 0.026 0.000 0.217 13 A C 2.424 179.900 177.584 -0.180 0.000 1.175 13 A CA 1.567 53.509 52.037 -0.158 0.000 0.627 13 A CB -1.484 17.507 19.000 -0.016 0.000 0.815 13 A HN 0.469 nan 8.150 nan 0.000 0.443 14 A N 0.062 122.815 122.820 -0.112 0.000 1.898 14 A HA -0.051 4.285 4.320 0.026 0.000 0.216 14 A C 2.088 179.598 177.584 -0.122 0.000 1.181 14 A CA 1.494 53.478 52.037 -0.088 0.000 0.620 14 A CB -0.579 18.395 19.000 -0.043 0.000 0.819 14 A HN 0.495 nan 8.150 nan 0.000 0.442 15 I N -0.654 119.819 120.570 -0.163 0.000 2.394 15 I HA -0.161 4.025 4.170 0.026 0.000 0.251 15 I C 2.384 178.364 176.117 -0.229 0.000 1.136 15 I CA 0.973 62.177 61.300 -0.160 0.000 1.425 15 I CB -0.343 37.585 38.000 -0.120 0.000 1.079 15 I HN 0.271 nan 8.210 nan 0.000 0.425 16 E N 0.827 120.786 120.200 -0.402 0.000 2.072 16 E HA -0.195 4.171 4.350 0.026 0.000 0.190 16 E C 2.171 178.647 176.600 -0.207 0.000 0.982 16 E CA 1.094 57.265 56.400 -0.382 0.000 0.803 16 E CB -0.163 29.189 29.700 -0.581 0.000 0.755 16 E HN 0.571 nan 8.360 nan 0.000 0.453 17 Q N 0.411 120.106 119.800 -0.176 0.000 2.030 17 Q HA -0.216 4.140 4.340 0.026 0.000 0.204 17 Q C 2.155 178.113 176.000 -0.071 0.000 0.986 17 Q CA 1.714 57.457 55.803 -0.099 0.000 0.843 17 Q CB -0.157 28.535 28.738 -0.077 0.000 0.904 17 Q HN 0.074 nan 8.270 nan 0.000 0.420 18 E N 1.012 121.170 120.200 -0.069 0.000 2.118 18 E HA -0.197 4.169 4.350 0.026 0.000 0.195 18 E C 1.801 178.381 176.600 -0.032 0.000 0.992 18 E CA 1.271 57.648 56.400 -0.037 0.000 0.804 18 E CB -0.066 29.616 29.700 -0.030 0.000 0.741 18 E HN 0.133 nan 8.360 nan 0.000 0.458 19 R N -0.095 120.367 120.500 -0.062 0.000 2.148 19 R HA -0.089 4.267 4.340 0.026 0.000 0.227 19 R C 1.856 178.127 176.300 -0.048 0.000 1.103 19 R CA 1.411 57.477 56.100 -0.057 0.000 0.983 19 R CB 0.052 30.304 30.300 -0.081 0.000 0.874 19 R HN 0.064 nan 8.270 nan 0.000 0.451 20 K N -0.475 119.895 120.400 -0.051 0.000 2.098 20 K HA -0.028 4.308 4.320 0.026 0.000 0.203 20 K C 2.144 178.757 176.600 0.022 0.000 1.051 20 K CA 0.555 56.823 56.287 -0.031 0.000 0.957 20 K CB -0.074 32.395 32.500 -0.052 0.000 0.738 20 K HN 0.014 nan 8.250 nan 0.000 0.447 21 R N 1.456 121.963 120.500 0.013 0.000 2.091 21 R HA -0.188 4.168 4.340 0.026 0.000 0.238 21 R C 1.924 178.255 176.300 0.053 0.000 1.136 21 R CA 1.688 57.808 56.100 0.033 0.000 0.959 21 R CB -0.030 30.283 30.300 0.022 0.000 0.856 21 R HN 0.291 nan 8.270 nan 0.000 0.437 22 Q N -1.417 118.412 119.800 0.047 0.000 2.226 22 Q HA -0.226 4.130 4.340 0.026 0.000 0.204 22 Q C 1.698 177.686 176.000 -0.021 0.000 0.975 22 Q CA 1.814 57.650 55.803 0.054 0.000 0.866 22 Q CB -0.087 28.672 28.738 0.034 0.000 0.915 22 Q HN 0.605 nan 8.270 nan 0.000 0.440 23 H N -0.781 118.228 119.070 -0.102 0.000 2.486 23 H HA 0.197 4.769 4.556 0.026 0.000 0.287 23 H C 1.840 177.152 175.328 -0.027 0.000 1.010 23 H CA 0.876 56.859 56.048 -0.108 0.000 1.324 23 H CB 0.279 29.981 29.762 -0.101 0.000 1.446 23 H HN 0.191 nan 8.280 nan 0.000 0.537 24 A N 1.220 124.129 122.820 0.147 0.000 1.872 24 A HA 0.032 4.367 4.320 0.026 0.000 0.214 24 A C 0.996 178.617 177.584 0.062 0.000 1.187 24 A CA 0.595 52.703 52.037 0.119 0.000 0.614 24 A CB -0.023 19.035 19.000 0.097 0.000 0.826 24 A HN 0.164 nan 8.150 nan 0.000 0.442 25 K N -0.472 119.960 120.400 0.053 0.000 2.102 25 K HA 0.494 4.830 4.320 0.026 0.000 0.244 25 K C -0.882 175.747 176.600 0.048 0.000 1.021 25 K CA -0.309 56.009 56.287 0.053 0.000 0.913 25 K CB 0.592 33.124 32.500 0.054 0.000 1.062 25 K HN 0.239 nan 8.250 nan 0.000 0.485 26 I N 1.903 122.508 120.570 0.059 0.000 2.330 26 I HA 0.044 4.229 4.170 0.026 0.000 0.286 26 I C 0.409 176.544 176.117 0.031 0.000 1.025 26 I CA -0.143 61.189 61.300 0.053 0.000 1.197 26 I CB 0.912 38.990 38.000 0.130 0.000 1.358 26 I HN 0.184 nan 8.210 nan 0.000 0.467 27 E N 7.586 127.799 120.200 0.021 0.000 2.003 27 E HA 0.194 4.560 4.350 0.026 0.000 0.279 27 E C 0.181 176.759 176.600 -0.036 0.000 1.132 27 E CA 0.020 56.426 56.400 0.012 0.000 0.888 27 E CB 0.908 30.645 29.700 0.061 0.000 1.056 27 E HN 0.600 nan 8.360 nan 0.000 0.399 28 L N 4.194 125.403 121.223 -0.024 0.000 2.910 28 L HA 0.325 4.681 4.340 0.026 0.000 0.252 28 L C 0.666 177.518 176.870 -0.031 0.000 1.195 28 L CA -0.169 54.652 54.840 -0.032 0.000 1.003 28 L CB 0.195 42.238 42.059 -0.026 0.000 1.328 28 L HN 0.369 nan 8.230 nan 0.000 0.540 29 I N 0.952 121.506 120.570 -0.027 0.000 2.598 29 I HA -0.024 4.162 4.170 0.026 0.000 0.284 29 I C 1.585 177.710 176.117 0.014 0.000 1.140 29 I CA 0.036 61.332 61.300 -0.006 0.000 1.420 29 I CB 1.458 39.457 38.000 -0.001 0.000 1.387 29 I HN 0.174 nan 8.210 nan 0.000 0.553 30 A N 4.494 127.344 122.820 0.051 0.000 2.067 30 A HA -0.101 4.235 4.320 0.026 0.000 0.219 30 A C 2.161 179.886 177.584 0.235 0.000 1.158 30 A CA 1.374 53.485 52.037 0.123 0.000 0.661 30 A CB -0.336 18.691 19.000 0.046 0.000 0.801 30 A HN 0.785 nan 8.150 nan 0.000 0.452 31 S N 0.185 115.985 115.700 0.167 0.000 2.453 31 S HA 0.006 4.491 4.470 0.026 0.000 0.231 31 S C 0.705 175.300 174.600 -0.008 0.000 1.005 31 S CA 0.289 58.507 58.200 0.029 0.000 0.949 31 S CB -0.023 63.211 63.200 0.056 0.000 0.774 31 S HN 0.700 nan 8.310 nan 0.000 0.510 32 E N 1.355 121.548 120.200 -0.012 0.000 2.280 32 E HA 0.494 4.859 4.350 0.026 0.000 0.261 32 E C -0.194 176.304 176.600 -0.171 0.000 1.088 32 E CA -0.570 55.779 56.400 -0.084 0.000 0.915 32 E CB 0.612 30.241 29.700 -0.120 0.000 1.141 32 E HN 0.048 nan 8.360 nan 0.000 0.433 33 N N -0.414 118.107 118.700 -0.298 0.000 3.395 33 N HA 0.300 5.056 4.740 0.026 0.000 0.293 33 N C -2.031 173.164 175.510 -0.525 0.000 1.489 33 N CA -0.494 52.311 53.050 -0.409 0.000 0.871 33 N CB 0.782 39.206 38.487 -0.105 0.000 1.649 33 N HN 0.232 nan 8.380 nan 0.000 0.501 34 F N 0.973 120.932 119.950 0.015 0.000 2.562 34 F HA 0.393 4.935 4.527 0.025 0.000 0.319 34 F C 0.475 176.268 175.800 -0.012 0.000 1.154 34 F CA -0.898 57.100 58.000 -0.004 0.000 0.931 34 F CB 1.166 40.156 39.000 -0.017 0.000 1.198 34 F HN 0.205 nan 8.300 nan 0.000 0.444 35 V N 0.220 120.229 119.914 0.159 0.000 2.904 35 V HA 0.739 4.875 4.120 0.026 0.000 0.305 35 V C 0.417 176.549 176.094 0.063 0.000 1.067 35 V CA -0.772 61.575 62.300 0.078 0.000 1.044 35 V CB 1.195 33.044 31.823 0.043 0.000 1.050 35 V HN 0.852 nan 8.190 nan 0.000 0.475 36 S N 2.807 118.525 115.700 0.030 0.000 2.596 36 S HA 0.294 4.780 4.470 0.026 0.000 0.260 36 S C 0.907 175.514 174.600 0.012 0.000 1.336 36 S CA 0.007 58.218 58.200 0.018 0.000 0.993 36 S CB 0.520 63.723 63.200 0.005 0.000 0.923 36 S HN 0.770 nan 8.310 nan 0.000 0.567 37 R N 0.693 121.198 120.500 0.008 0.000 2.115 37 R HA -0.010 4.346 4.340 0.026 0.000 0.230 37 R C 2.614 178.914 176.300 0.001 0.000 1.111 37 R CA 1.235 57.338 56.100 0.006 0.000 0.976 37 R CB -0.975 29.328 30.300 0.005 0.000 0.870 37 R HN 0.810 nan 8.270 nan 0.000 0.445 38 A N 0.687 123.505 122.820 -0.003 0.000 1.883 38 A HA -0.159 4.177 4.320 0.026 0.000 0.217 38 A C 2.317 179.891 177.584 -0.017 0.000 1.186 38 A CA 1.692 53.723 52.037 -0.010 0.000 0.624 38 A CB -0.725 18.267 19.000 -0.013 0.000 0.822 38 A HN 0.123 nan 8.150 nan 0.000 0.444 39 V N -0.143 119.759 119.914 -0.020 0.000 2.332 39 V HA -0.349 3.786 4.120 0.026 0.000 0.248 39 V C 2.656 178.739 176.094 -0.019 0.000 1.055 39 V CA 2.390 64.671 62.300 -0.032 0.000 1.038 39 V CB -0.737 31.066 31.823 -0.033 0.000 0.651 39 V HN 0.582 nan 8.190 nan 0.000 0.450 40 M N -0.773 118.825 119.600 -0.003 0.000 2.175 40 M HA -0.179 4.316 4.480 0.026 0.000 0.264 40 M C 2.202 178.507 176.300 0.009 0.000 1.063 40 M CA 1.741 57.045 55.300 0.006 0.000 1.119 40 M CB -0.478 32.130 32.600 0.014 0.000 1.377 40 M HN 0.373 nan 8.290 nan 0.000 0.415 41 E N 0.459 120.662 120.200 0.004 0.000 2.110 41 E HA -0.165 4.201 4.350 0.026 0.000 0.193 41 E C 2.096 178.699 176.600 0.004 0.000 0.988 41 E CA 1.260 57.663 56.400 0.005 0.000 0.804 41 E CB -0.149 29.552 29.700 0.001 0.000 0.745 41 E HN 0.512 nan 8.360 nan 0.000 0.458 42 A N 1.674 124.493 122.820 -0.003 0.000 1.898 42 A HA -0.241 4.095 4.320 0.026 0.000 0.216 42 A C 2.090 179.690 177.584 0.028 0.000 1.181 42 A CA 1.516 53.552 52.037 -0.002 0.000 0.620 42 A CB -0.480 18.504 19.000 -0.026 0.000 0.819 42 A HN 0.289 nan 8.150 nan 0.000 0.442 43 Q N -0.845 118.975 119.800 0.032 0.000 2.378 43 Q HA 0.076 4.432 4.340 0.026 0.000 0.205 43 Q C 1.530 177.609 176.000 0.132 0.000 0.954 43 Q CA 0.811 56.679 55.803 0.108 0.000 0.901 43 Q CB -0.362 28.413 28.738 0.062 0.000 0.981 43 Q HN 0.492 nan 8.270 nan 0.000 0.483 44 G N 1.518 110.349 108.800 0.051 0.000 2.985 44 G HA2 -0.003 3.973 3.960 0.026 0.000 0.209 44 G HA3 -0.003 3.973 3.960 0.026 0.000 0.209 44 G C 0.529 175.423 174.900 -0.011 0.000 1.165 44 G CA 0.210 45.321 45.100 0.017 0.000 0.776 44 G HN 0.375 nan 8.290 nan 0.000 0.541 45 S N -0.368 115.331 115.700 -0.001 0.000 2.626 45 S HA 0.182 4.667 4.470 0.026 0.000 0.257 45 S C 1.539 176.099 174.600 -0.065 0.000 1.288 45 S CA 0.158 58.345 58.200 -0.021 0.000 0.980 45 S CB 1.382 64.581 63.200 -0.002 0.000 0.975 45 S HN 0.585 nan 8.310 nan 0.000 0.577 46 V N -0.845 119.032 119.914 -0.062 0.000 3.630 46 V HA 0.178 4.314 4.120 0.026 0.000 0.273 46 V C 1.513 177.556 176.094 -0.084 0.000 1.248 46 V CA 0.501 62.750 62.300 -0.086 0.000 1.170 46 V CB -1.322 30.461 31.823 -0.067 0.000 0.899 46 V HN 0.665 nan 8.190 nan 0.000 0.457 47 L N 0.982 122.174 121.223 -0.051 0.000 2.362 47 L HA -0.058 4.297 4.340 0.026 0.000 0.219 47 L C 2.729 179.556 176.870 -0.073 0.000 1.134 47 L CA 2.232 57.060 54.840 -0.019 0.000 0.807 47 L CB -1.209 40.880 42.059 0.050 0.000 0.927 47 L HN 0.552 nan 8.230 nan 0.000 0.447 48 T N -1.127 113.254 114.554 -0.289 0.000 2.849 48 T HA -0.200 4.166 4.350 0.026 0.000 0.270 48 T C 1.645 176.184 174.700 -0.268 0.000 1.066 48 T CA 1.921 63.727 62.100 -0.489 0.000 1.130 48 T CB -0.335 68.083 68.868 -0.750 0.000 0.864 48 T HN 0.522 nan 8.240 nan 0.000 0.481 49 N N -0.185 118.400 118.700 -0.190 0.000 2.459 49 N HA 0.023 4.778 4.740 0.026 0.000 0.181 49 N C 0.434 175.864 175.510 -0.132 0.000 1.046 49 N CA 0.291 53.256 53.050 -0.142 0.000 0.904 49 N CB 0.117 38.544 38.487 -0.099 0.000 0.964 49 N HN 0.159 nan 8.380 nan 0.000 0.444 50 K N 0.677 120.996 120.400 -0.135 0.000 2.227 50 K HA 0.150 4.486 4.320 0.026 0.000 0.280 50 K C -1.443 175.017 176.600 -0.233 0.000 1.041 50 K CA -0.382 55.828 56.287 -0.129 0.000 0.905 50 K CB 0.282 32.740 32.500 -0.069 0.000 1.068 50 K HN -0.061 nan 8.250 nan 0.000 0.470 51 Y N 2.345 122.447 120.300 -0.331 0.000 2.393 51 Y HA 0.362 4.928 4.550 0.027 0.000 0.338 51 Y C 0.389 175.934 175.900 -0.592 0.000 1.029 51 Y CA 0.156 57.898 58.100 -0.597 0.000 1.239 51 Y CB 1.403 39.203 38.460 -1.100 0.000 1.170 51 Y HN 0.708 nan 8.280 nan 0.000 0.515 52 A N 4.252 126.969 122.820 -0.172 0.000 2.992 52 A HA 0.267 4.603 4.320 0.026 0.000 0.263 52 A C -0.162 177.410 177.584 -0.020 0.000 0.928 52 A CA -0.585 51.435 52.037 -0.027 0.000 1.061 52 A CB -0.321 18.644 19.000 -0.059 0.000 1.173 52 A HN 0.773 nan 8.150 nan 0.000 0.482 53 E N 0.347 120.611 120.200 0.106 0.000 2.452 53 E HA 0.375 4.741 4.350 0.026 0.000 0.261 53 E C 0.983 177.494 176.600 -0.149 0.000 0.987 53 E CA 1.402 57.634 56.400 -0.280 0.000 0.926 53 E CB 0.555 30.123 29.700 -0.219 0.000 0.934 53 E HN 1.028 nan 8.360 nan 0.000 0.452 54 G N 1.691 110.247 108.800 -0.406 0.000 2.428 54 G HA2 -0.203 3.773 3.960 0.026 0.000 0.202 54 G HA3 -0.203 3.773 3.960 0.026 0.000 0.202 54 G C -1.525 173.128 174.900 -0.411 0.000 1.247 54 G CA -0.780 44.337 45.100 0.028 0.000 1.020 54 G HN 0.430 nan 8.290 nan 0.000 0.529 55 Y N -0.139 120.239 120.300 0.129 0.000 2.605 55 Y HA 0.608 5.174 4.550 0.027 0.000 0.343 55 Y C -2.029 173.908 175.900 0.062 0.000 1.036 55 Y CA -1.885 56.274 58.100 0.098 0.000 1.065 55 Y CB 2.071 40.606 38.460 0.125 0.000 1.288 55 Y HN 0.415 nan 8.280 nan 0.000 0.481 56 P HA 0.076 nan 4.420 nan 0.000 0.258 56 P C 0.610 177.969 177.300 0.098 0.000 1.187 56 P CA 1.943 65.111 63.100 0.114 0.000 0.767 56 P CB 0.105 31.871 31.700 0.109 0.000 0.770 57 G N 3.348 112.179 108.800 0.052 0.000 2.199 57 G HA2 -0.250 3.726 3.960 0.026 0.000 0.254 57 G HA3 -0.250 3.726 3.960 0.026 0.000 0.254 57 G C 0.514 175.425 174.900 0.019 0.000 0.982 57 G CA -0.373 44.744 45.100 0.028 0.000 0.632 57 G HN 0.547 nan 8.290 nan 0.000 0.529 58 R N 0.335 120.860 120.500 0.042 0.000 2.701 58 R HA 0.254 4.609 4.340 0.026 0.000 0.281 58 R C 0.263 176.542 176.300 -0.035 0.000 1.367 58 R CA -0.497 55.605 56.100 0.005 0.000 1.510 58 R CB 0.460 30.804 30.300 0.073 0.000 1.306 58 R HN 0.246 nan 8.270 nan 0.000 0.682 59 R N -0.106 120.354 120.500 -0.067 0.000 2.549 59 R HA 0.259 4.614 4.340 0.026 0.000 0.267 59 R C 0.461 176.627 176.300 -0.224 0.000 1.045 59 R CA -0.426 55.650 56.100 -0.040 0.000 1.115 59 R CB 0.575 30.905 30.300 0.051 0.000 1.121 59 R HN 0.193 nan 8.270 nan 0.000 0.543 60 Y N -0.349 119.938 120.300 -0.023 0.000 2.493 60 Y HA 0.212 4.777 4.550 0.026 0.000 0.275 60 Y C -0.411 175.160 175.900 -0.548 0.000 1.183 60 Y CA 0.101 58.057 58.100 -0.241 0.000 1.258 60 Y CB 0.273 38.553 38.460 -0.300 0.000 1.108 60 Y HN 0.400 nan 8.280 nan 0.000 0.521 61 Y N -1.430 118.909 120.300 0.065 0.000 2.588 61 Y HA 0.598 5.164 4.550 0.027 0.000 0.343 61 Y C 0.680 176.585 175.900 0.009 0.000 1.065 61 Y CA -1.865 56.260 58.100 0.042 0.000 1.038 61 Y CB 0.986 39.479 38.460 0.055 0.000 1.297 61 Y HN -0.113 nan 8.280 nan 0.000 0.467 62 G N -0.386 108.520 108.800 0.177 0.000 2.562 62 G HA2 0.415 4.391 3.960 0.026 0.000 0.275 62 G HA3 0.415 4.391 3.960 0.026 0.000 0.275 62 G C 0.770 175.721 174.900 0.084 0.000 1.196 62 G CA -0.156 44.998 45.100 0.090 0.000 0.908 62 G HN 1.485 nan 8.290 nan 0.000 0.524 63 G N -1.979 106.839 108.800 0.029 0.000 2.168 63 G HA2 -0.302 3.674 3.960 0.026 0.000 0.257 63 G HA3 -0.302 3.674 3.960 0.026 0.000 0.257 63 G C 0.870 175.762 174.900 -0.012 0.000 0.997 63 G CA 0.612 45.717 45.100 0.007 0.000 0.708 63 G HN 0.956 nan 8.290 nan 0.000 0.520 64 C N 0.578 119.868 119.300 -0.016 0.000 2.559 64 C HA 0.308 4.783 4.460 0.026 0.000 0.300 64 C C 2.233 177.171 174.990 -0.087 0.000 1.288 64 C CA 0.414 59.420 59.018 -0.021 0.000 1.699 64 C CB -1.089 26.664 27.740 0.021 0.000 1.819 64 C HN 0.758 nan 8.230 nan 0.000 0.600 65 E N 0.948 121.023 120.200 -0.207 0.000 2.033 65 E HA -0.259 4.107 4.350 0.026 0.000 0.199 65 E C 1.129 177.477 176.600 -0.420 0.000 1.011 65 E CA 1.874 58.037 56.400 -0.395 0.000 0.815 65 E CB -0.320 28.952 29.700 -0.712 0.000 0.755 65 E HN 0.776 nan 8.360 nan 0.000 0.451 66 Y N 0.435 120.741 120.300 0.010 0.000 2.365 66 Y HA -0.049 4.517 4.550 0.026 0.000 0.293 66 Y C 2.493 178.396 175.900 0.005 0.000 1.119 66 Y CA 0.488 58.592 58.100 0.006 0.000 1.203 66 Y CB -0.121 38.340 38.460 0.002 0.000 1.026 66 Y HN 0.029 nan 8.280 nan 0.000 0.549 67 V N -2.295 117.676 119.914 0.095 0.000 2.759 67 V HA -0.165 3.971 4.120 0.026 0.000 0.256 67 V C 1.240 177.354 176.094 0.034 0.000 1.080 67 V CA 1.848 64.180 62.300 0.055 0.000 1.101 67 V CB -0.376 31.463 31.823 0.026 0.000 0.698 67 V HN 0.182 nan 8.190 nan 0.000 0.477 68 D N 0.906 121.318 120.400 0.020 0.000 2.183 68 D HA 0.003 4.658 4.640 0.026 0.000 0.203 68 D C 2.034 178.359 176.300 0.042 0.000 0.969 68 D CA 1.549 55.565 54.000 0.025 0.000 0.842 68 D CB -0.154 40.650 40.800 0.008 0.000 0.957 68 D HN 0.533 nan 8.370 nan 0.000 0.484 69 I N 0.247 120.850 120.570 0.055 0.000 2.142 69 I HA -0.250 3.936 4.170 0.026 0.000 0.240 69 I C 2.415 178.566 176.117 0.056 0.000 1.078 69 I CA 0.680 62.019 61.300 0.066 0.000 1.343 69 I CB -0.378 37.680 38.000 0.098 0.000 1.046 69 I HN -0.114 nan 8.210 nan 0.000 0.405 70 V N 0.836 120.781 119.914 0.053 0.000 2.282 70 V HA -0.358 3.778 4.120 0.026 0.000 0.249 70 V C 2.531 178.645 176.094 0.032 0.000 1.057 70 V CA 2.428 64.748 62.300 0.033 0.000 1.032 70 V CB -0.698 31.140 31.823 0.025 0.000 0.645 70 V HN 0.513 nan 8.190 nan 0.000 0.447 71 E N -0.440 119.784 120.200 0.039 0.000 2.106 71 E HA -0.219 4.147 4.350 0.026 0.000 0.192 71 E C 2.248 178.892 176.600 0.074 0.000 0.984 71 E CA 1.145 57.577 56.400 0.053 0.000 0.806 71 E CB -0.018 29.716 29.700 0.057 0.000 0.750 71 E HN 0.597 nan 8.360 nan 0.000 0.458 72 E N 0.367 120.609 120.200 0.070 0.000 2.077 72 E HA -0.177 4.188 4.350 0.026 0.000 0.193 72 E C 2.141 178.782 176.600 0.068 0.000 0.989 72 E CA 0.522 56.965 56.400 0.071 0.000 0.800 72 E CB -0.105 29.631 29.700 0.062 0.000 0.746 72 E HN 0.287 nan 8.360 nan 0.000 0.452 73 L N 0.911 122.171 121.223 0.062 0.000 2.012 73 L HA -0.154 4.201 4.340 0.026 0.000 0.210 73 L C 2.464 179.394 176.870 0.100 0.000 1.073 73 L CA 1.809 56.687 54.840 0.063 0.000 0.748 73 L CB -1.696 40.389 42.059 0.044 0.000 0.891 73 L HN 0.025 nan 8.230 nan 0.000 0.431 74 A N -0.450 122.434 122.820 0.107 0.000 1.883 74 A HA -0.229 4.106 4.320 0.026 0.000 0.217 74 A C 2.429 180.172 177.584 0.265 0.000 1.186 74 A CA 1.614 53.773 52.037 0.203 0.000 0.624 74 A CB -0.438 18.627 19.000 0.109 0.000 0.822 74 A HN 0.382 nan 8.150 nan 0.000 0.444 75 R N -0.532 120.056 120.500 0.147 0.000 2.073 75 R HA -0.093 4.263 4.340 0.026 0.000 0.234 75 R C 1.784 178.117 176.300 0.055 0.000 1.134 75 R CA 1.361 57.512 56.100 0.085 0.000 0.952 75 R CB -0.372 29.959 30.300 0.052 0.000 0.850 75 R HN 0.496 nan 8.270 nan 0.000 0.433 76 E N 0.482 120.718 120.200 0.059 0.000 2.427 76 E HA -0.078 4.287 4.350 0.026 0.000 0.196 76 E C 1.839 178.454 176.600 0.025 0.000 1.028 76 E CA 0.637 57.058 56.400 0.035 0.000 0.864 76 E CB 0.076 29.798 29.700 0.036 0.000 0.813 76 E HN 0.347 nan 8.360 nan 0.000 0.514 77 R N 0.316 120.852 120.500 0.060 0.000 2.140 77 R HA 0.158 4.514 4.340 0.026 0.000 0.213 77 R C 2.281 178.528 176.300 -0.088 0.000 1.059 77 R CA 0.793 56.915 56.100 0.037 0.000 1.000 77 R CB -0.085 30.297 30.300 0.136 0.000 0.910 77 R HN 0.042 nan 8.270 nan 0.000 0.455 78 A N 1.851 124.602 122.820 -0.114 0.000 1.873 78 A HA -0.176 4.160 4.320 0.026 0.000 0.215 78 A C 1.835 179.337 177.584 -0.137 0.000 1.186 78 A CA 1.354 53.193 52.037 -0.331 0.000 0.616 78 A CB -0.192 18.640 19.000 -0.280 0.000 0.823 78 A HN 0.153 nan 8.150 nan 0.000 0.442 79 K N -0.696 119.666 120.400 -0.062 0.000 2.148 79 K HA -0.148 4.188 4.320 0.026 0.000 0.204 79 K C 2.324 178.893 176.600 -0.052 0.000 1.050 79 K CA 1.431 57.703 56.287 -0.026 0.000 0.942 79 K CB -0.131 32.366 32.500 -0.005 0.000 0.724 79 K HN 0.623 nan 8.250 nan 0.000 0.446 80 Q N 0.429 120.180 119.800 -0.081 0.000 2.079 80 Q HA -0.141 4.215 4.340 0.026 0.000 0.200 80 Q C 1.990 177.888 176.000 -0.169 0.000 0.974 80 Q CA 1.004 56.751 55.803 -0.094 0.000 0.840 80 Q CB 0.097 28.790 28.738 -0.075 0.000 0.898 80 Q HN 0.151 nan 8.270 nan 0.000 0.430 81 L N -0.872 120.169 121.223 -0.305 0.000 2.044 81 L HA -0.071 4.284 4.340 0.026 0.000 0.205 81 L C 1.405 177.874 176.870 -0.669 0.000 1.075 81 L CA 1.755 56.253 54.840 -0.570 0.000 0.747 81 L CB -0.209 41.329 42.059 -0.868 0.000 0.903 81 L HN 0.209 nan 8.230 nan 0.000 0.435 82 F N -0.899 118.976 119.950 -0.126 0.000 2.717 82 F HA 0.399 4.941 4.527 0.026 0.000 0.295 82 F C 1.732 177.491 175.800 -0.068 0.000 1.117 82 F CA 0.357 58.301 58.000 -0.093 0.000 1.361 82 F CB -0.452 38.477 39.000 -0.118 0.000 1.112 82 F HN 0.099 nan 8.300 nan 0.000 0.594 83 G N 1.075 109.903 108.800 0.047 0.000 2.198 83 G HA2 -0.070 3.906 3.960 0.026 0.000 0.257 83 G HA3 -0.070 3.906 3.960 0.026 0.000 0.257 83 G C 0.250 175.169 174.900 0.032 0.000 1.042 83 G CA -0.035 45.077 45.100 0.020 0.000 0.791 83 G HN 0.643 nan 8.290 nan 0.000 0.502 84 A N -0.872 121.979 122.820 0.052 0.000 2.257 84 A HA 0.805 5.141 4.320 0.026 0.000 0.289 84 A C 1.123 178.731 177.584 0.041 0.000 1.095 84 A CA 0.549 52.609 52.037 0.039 0.000 0.836 84 A CB 0.597 19.620 19.000 0.039 0.000 1.111 84 A HN 0.375 nan 8.150 nan 0.000 0.497 85 E N -0.742 119.493 120.200 0.058 0.000 2.086 85 E HA -0.024 4.342 4.350 0.026 0.000 0.190 85 E C 0.325 177.007 176.600 0.137 0.000 0.975 85 E CA 0.732 57.177 56.400 0.074 0.000 0.813 85 E CB 0.062 29.800 29.700 0.063 0.000 0.768 85 E HN 0.693 nan 8.360 nan 0.000 0.457 86 H N -0.991 118.097 119.070 0.030 0.000 2.865 86 H HA 0.637 5.209 4.556 0.026 0.000 0.372 86 H C -1.785 173.570 175.328 0.046 0.000 1.173 86 H CA -0.705 55.364 56.048 0.036 0.000 1.147 86 H CB 2.161 31.948 29.762 0.042 0.000 1.805 86 H HN 0.048 nan 8.280 nan 0.000 0.553 87 A N 3.200 125.603 122.820 -0.696 0.000 2.455 87 A HA 0.303 4.639 4.320 0.026 0.000 0.300 87 A C -1.246 176.029 177.584 -0.516 0.000 1.040 87 A CA -0.825 50.956 52.037 -0.427 0.000 0.697 87 A CB 1.327 20.229 19.000 -0.164 0.000 1.265 87 A HN 0.806 nan 8.150 nan 0.000 0.407 88 N N 1.266 119.847 118.700 -0.198 0.000 2.476 88 N HA 0.412 5.168 4.740 0.026 0.000 0.257 88 N C 0.284 175.827 175.510 0.055 0.000 0.970 88 N CA -0.406 52.640 53.050 -0.008 0.000 0.938 88 N CB 1.508 40.053 38.487 0.097 0.000 1.144 88 N HN 0.652 nan 8.380 nan 0.000 0.500 89 V N 1.087 121.058 119.914 0.094 0.000 3.444 89 V HA 0.155 4.291 4.120 0.026 0.000 0.308 89 V C 0.970 177.102 176.094 0.063 0.000 1.371 89 V CA 0.440 62.806 62.300 0.110 0.000 1.141 89 V CB -0.070 31.845 31.823 0.153 0.000 1.037 89 V HN 0.668 nan 8.190 nan 0.000 0.433 90 Q N 0.820 120.652 119.800 0.052 0.000 2.302 90 Q HA 0.213 4.569 4.340 0.026 0.000 0.202 90 Q C -1.572 174.364 176.000 -0.107 0.000 0.936 90 Q CA -0.543 55.246 55.803 -0.024 0.000 0.886 90 Q CB -1.028 27.689 28.738 -0.034 0.000 0.986 90 Q HN 0.537 nan 8.270 nan 0.000 0.487 91 P HA -0.142 nan 4.420 nan 0.000 0.259 91 P C -0.149 177.105 177.300 -0.077 0.000 1.163 91 P CA 0.878 63.910 63.100 -0.113 0.000 0.760 91 P CB 0.315 31.995 31.700 -0.033 0.000 0.762 92 H N -0.170 118.891 119.070 -0.014 0.000 2.462 92 H HA 0.093 4.666 4.556 0.028 0.000 0.292 92 H C 0.808 176.127 175.328 -0.015 0.000 1.049 92 H CA 0.993 57.022 56.048 -0.031 0.000 1.334 92 H CB 0.325 30.063 29.762 -0.040 0.000 1.404 92 H HN 0.319 nan 8.280 nan 0.000 0.544 93 S N -1.874 113.899 115.700 0.122 0.000 2.732 93 S HA 0.478 4.964 4.470 0.026 0.000 0.293 93 S C 1.411 176.052 174.600 0.068 0.000 1.159 93 S CA -0.175 58.085 58.200 0.099 0.000 0.847 93 S CB 1.957 65.208 63.200 0.086 0.000 1.169 93 S HN 0.312 nan 8.310 nan 0.000 0.501 94 G N 0.662 109.501 108.800 0.064 0.000 2.408 94 G HA2 0.092 4.067 3.960 0.026 0.000 0.215 94 G HA3 0.092 4.067 3.960 0.026 0.000 0.215 94 G C 1.409 176.313 174.900 0.007 0.000 1.156 94 G CA 0.870 45.964 45.100 -0.009 0.000 0.793 94 G HN 0.756 nan 8.290 nan 0.000 0.535 95 A N 0.412 123.271 122.820 0.064 0.000 1.908 95 A HA -0.105 4.230 4.320 0.026 0.000 0.218 95 A C 2.359 179.982 177.584 0.066 0.000 1.181 95 A CA 2.162 54.280 52.037 0.135 0.000 0.627 95 A CB -0.365 18.742 19.000 0.178 0.000 0.818 95 A HN 0.333 nan 8.150 nan 0.000 0.445 96 Q N -0.564 119.244 119.800 0.013 0.000 2.123 96 Q HA 0.123 4.478 4.340 0.026 0.000 0.199 96 Q C 2.306 178.270 176.000 -0.060 0.000 0.966 96 Q CA 1.548 57.321 55.803 -0.050 0.000 0.845 96 Q CB -0.685 28.028 28.738 -0.043 0.000 0.907 96 Q HN 0.636 nan 8.270 nan 0.000 0.439 97 A N 0.694 123.490 122.820 -0.039 0.000 1.883 97 A HA -0.272 4.064 4.320 0.026 0.000 0.217 97 A C 1.817 179.341 177.584 -0.100 0.000 1.186 97 A CA 1.933 53.939 52.037 -0.053 0.000 0.624 97 A CB -0.811 18.164 19.000 -0.042 0.000 0.822 97 A HN 0.521 nan 8.150 nan 0.000 0.444 98 N N -1.070 117.558 118.700 -0.119 0.000 2.106 98 N HA -0.152 4.604 4.740 0.026 0.000 0.188 98 N C 1.925 177.174 175.510 -0.436 0.000 1.029 98 N CA 1.476 54.332 53.050 -0.323 0.000 0.848 98 N CB -0.247 38.087 38.487 -0.255 0.000 1.007 98 N HN 0.597 nan 8.380 nan 0.000 0.423 99 M N 1.370 120.921 119.600 -0.083 0.000 2.106 99 M HA -0.197 4.299 4.480 0.026 0.000 0.259 99 M C 2.080 178.405 176.300 0.041 0.000 1.068 99 M CA 1.691 57.021 55.300 0.051 0.000 1.100 99 M CB -0.047 32.413 32.600 -0.234 0.000 1.351 99 M HN 0.181 nan 8.290 nan 0.000 0.404 100 A N -0.531 122.267 122.820 -0.037 0.000 1.902 100 A HA -0.106 4.230 4.320 0.026 0.000 0.217 100 A C 2.052 179.654 177.584 0.030 0.000 1.181 100 A CA 1.927 53.980 52.037 0.026 0.000 0.623 100 A CB -1.158 17.841 19.000 -0.002 0.000 0.818 100 A HN 0.435 nan 8.150 nan 0.000 0.443 101 V N -0.887 118.960 119.914 -0.111 0.000 2.261 101 V HA -0.276 3.860 4.120 0.026 0.000 0.246 101 V C 2.467 178.468 176.094 -0.154 0.000 1.047 101 V CA 1.954 64.090 62.300 -0.274 0.000 1.015 101 V CB -1.184 30.438 31.823 -0.336 0.000 0.642 101 V HN 0.629 nan 8.190 nan 0.000 0.446 102 Y N -0.794 119.445 120.300 -0.102 0.000 2.165 102 Y HA -0.231 4.335 4.550 0.027 0.000 0.286 102 Y C 2.352 178.264 175.900 0.020 0.000 1.155 102 Y CA 0.994 59.025 58.100 -0.116 0.000 1.164 102 Y CB -1.363 37.114 38.460 0.028 0.000 0.978 102 Y HN 0.274 nan 8.280 nan 0.000 0.513 103 F N 0.805 120.859 119.950 0.173 0.000 2.126 103 F HA -0.237 4.307 4.527 0.027 0.000 0.299 103 F C 2.298 178.108 175.800 0.016 0.000 1.096 103 F CA 2.125 60.203 58.000 0.129 0.000 1.255 103 F CB -0.668 38.379 39.000 0.079 0.000 0.997 103 F HN -0.043 nan 8.300 nan 0.000 0.479 104 T N -0.326 114.210 114.554 -0.031 0.000 2.737 104 T HA -0.126 4.240 4.350 0.026 0.000 0.265 104 T C 2.062 176.609 174.700 -0.255 0.000 1.038 104 T CA 1.994 63.989 62.100 -0.175 0.000 1.144 104 T CB -0.559 68.179 68.868 -0.216 0.000 0.866 104 T HN 0.275 nan 8.240 nan 0.000 0.434 105 V N -1.224 118.489 119.914 -0.334 0.000 3.125 105 V HA 0.421 4.557 4.120 0.026 0.000 0.249 105 V C 0.665 176.637 176.094 -0.204 0.000 1.113 105 V CA 0.134 62.225 62.300 -0.349 0.000 1.106 105 V CB -0.632 30.831 31.823 -0.600 0.000 0.768 105 V HN 0.270 nan 8.190 nan 0.000 0.468 106 L N 0.994 122.107 121.223 -0.184 0.000 2.334 106 L HA 0.716 5.072 4.340 0.026 0.000 0.270 106 L C -0.261 176.625 176.870 0.027 0.000 1.018 106 L CA -0.784 53.974 54.840 -0.136 0.000 0.811 106 L CB 1.396 43.213 42.059 -0.402 0.000 1.271 106 L HN 0.188 nan 8.230 nan 0.000 0.443 107 E N -1.525 118.726 120.200 0.085 0.000 2.243 107 E HA 0.318 4.683 4.350 0.026 0.000 0.260 107 E C -1.061 175.697 176.600 0.263 0.000 0.985 107 E CA -0.992 55.491 56.400 0.138 0.000 0.858 107 E CB 1.002 30.747 29.700 0.074 0.000 1.210 107 E HN 0.459 nan 8.360 nan 0.000 0.411 108 H N 0.007 119.153 119.070 0.126 0.000 3.034 108 H HA 0.202 4.773 4.556 0.026 0.000 0.324 108 H C 1.149 176.526 175.328 0.082 0.000 1.015 108 H CA 1.809 57.896 56.048 0.066 0.000 1.429 108 H CB 0.202 29.973 29.762 0.015 0.000 1.429 108 H HN 0.731 nan 8.280 nan 0.000 0.585 109 G N 3.687 112.208 108.800 -0.465 0.000 2.179 109 G HA2 -0.286 3.689 3.960 0.026 0.000 0.260 109 G HA3 -0.286 3.689 3.960 0.026 0.000 0.260 109 G C 0.109 174.972 174.900 -0.061 0.000 0.977 109 G CA 0.198 45.128 45.100 -0.283 0.000 0.641 109 G HN 0.730 nan 8.290 nan 0.000 0.533 110 D N 0.734 121.158 120.400 0.039 0.000 2.361 110 D HA 0.456 5.112 4.640 0.026 0.000 0.239 110 D C 0.831 177.063 176.300 -0.112 0.000 1.200 110 D CA 0.730 54.708 54.000 -0.036 0.000 0.915 110 D CB 0.547 41.308 40.800 -0.065 0.000 1.170 110 D HN 0.092 nan 8.370 nan 0.000 0.444 111 T N 0.551 115.018 114.554 -0.145 0.000 2.845 111 T HA 0.485 4.851 4.350 0.026 0.000 0.288 111 T C -0.203 174.295 174.700 -0.337 0.000 0.980 111 T CA -0.585 61.394 62.100 -0.200 0.000 1.071 111 T CB 0.927 69.734 68.868 -0.102 0.000 0.941 111 T HN 0.003 nan 8.240 nan 0.000 0.487 112 V N 4.061 123.639 119.914 -0.561 0.000 2.709 112 V HA 0.471 4.607 4.120 0.026 0.000 0.308 112 V C -0.485 175.315 176.094 -0.490 0.000 1.062 112 V CA -0.977 60.870 62.300 -0.755 0.000 0.901 112 V CB 2.228 33.054 31.823 -1.663 0.000 1.003 112 V HN 0.717 nan 8.190 nan 0.000 0.425 113 L N 3.690 124.804 121.223 -0.182 0.000 2.276 113 L HA 0.827 5.183 4.340 0.026 0.000 0.286 113 L C 0.333 177.335 176.870 0.220 0.000 1.024 113 L CA 0.127 55.013 54.840 0.078 0.000 0.826 113 L CB 0.975 43.138 42.059 0.173 0.000 1.211 113 L HN 0.902 nan 8.230 nan 0.000 0.422 114 G N 4.005 112.932 108.800 0.211 0.000 2.574 114 G HA2 0.383 4.358 3.960 0.026 0.000 0.299 114 G HA3 0.383 4.358 3.960 0.026 0.000 0.299 114 G C -0.922 173.725 174.900 -0.421 0.000 1.298 114 G CA -0.790 44.360 45.100 0.084 0.000 0.952 114 G HN 0.551 nan 8.290 nan 0.000 0.477 115 M N 2.013 121.218 119.600 -0.658 0.000 2.260 115 M HA 0.032 4.528 4.480 0.026 0.000 0.348 115 M C 0.763 176.792 176.300 -0.452 0.000 1.342 115 M CA -0.381 54.400 55.300 -0.865 0.000 1.040 115 M CB 0.272 32.617 32.600 -0.425 0.000 1.810 115 M HN 0.613 nan 8.290 nan 0.000 0.453 116 N N 4.064 122.461 118.700 -0.506 0.000 2.292 116 N HA -0.107 4.649 4.740 0.026 0.000 0.258 116 N C 0.651 175.998 175.510 -0.272 0.000 1.261 116 N CA 0.064 52.859 53.050 -0.424 0.000 0.845 116 N CB 0.602 38.638 38.487 -0.751 0.000 1.064 116 N HN 0.763 nan 8.380 nan 0.000 0.471 117 L N 3.027 124.118 121.223 -0.220 0.000 2.083 117 L HA -0.149 4.206 4.340 0.026 0.000 0.209 117 L C 1.935 178.738 176.870 -0.113 0.000 1.083 117 L CA 1.769 56.510 54.840 -0.165 0.000 0.752 117 L CB -1.193 40.757 42.059 -0.182 0.000 0.899 117 L HN 0.695 nan 8.230 nan 0.000 0.433 118 S N -3.703 111.947 115.700 -0.084 0.000 2.577 118 S HA 0.039 4.525 4.470 0.026 0.000 0.219 118 S C 1.316 175.957 174.600 0.069 0.000 0.962 118 S CA -0.342 57.845 58.200 -0.022 0.000 0.921 118 S CB -0.395 62.789 63.200 -0.027 0.000 0.789 118 S HN 0.527 nan 8.310 nan 0.000 0.497 119 H N 0.019 118.989 119.070 -0.166 0.000 2.750 119 H HA 0.336 4.907 4.556 0.026 0.000 0.263 119 H C 1.631 176.931 175.328 -0.046 0.000 0.964 119 H CA 0.239 56.209 56.048 -0.130 0.000 1.205 119 H CB 0.812 30.481 29.762 -0.155 0.000 1.454 119 H HN 0.614 nan 8.280 nan 0.000 0.503 120 G N 0.387 109.220 108.800 0.056 0.000 3.246 120 G HA2 -0.149 3.826 3.960 0.026 0.000 0.218 120 G HA3 -0.149 3.826 3.960 0.026 0.000 0.218 120 G C 0.720 175.631 174.900 0.018 0.000 0.978 120 G CA -0.273 44.854 45.100 0.046 0.000 0.825 120 G HN 0.493 nan 8.290 nan 0.000 0.546 121 G N 0.022 108.813 108.800 -0.015 0.000 2.614 121 G HA2 0.422 4.398 3.960 0.026 0.000 0.239 121 G HA3 0.422 4.398 3.960 0.026 0.000 0.239 121 G C -0.175 174.692 174.900 -0.054 0.000 1.240 121 G CA 0.184 45.309 45.100 0.043 0.000 0.842 121 G HN 0.440 nan 8.290 nan 0.000 0.584 122 H N 1.250 120.108 119.070 -0.353 0.000 2.488 122 H HA 0.169 4.741 4.556 0.025 0.000 0.347 122 H C 1.392 176.430 175.328 -0.484 0.000 1.174 122 H CA -0.893 54.838 56.048 -0.529 0.000 1.307 122 H CB 1.285 30.588 29.762 -0.764 0.000 1.517 122 H HN 0.333 nan 8.280 nan 0.000 0.554 123 L N 2.234 122.723 121.223 -1.224 0.000 2.054 123 L HA -0.245 4.111 4.340 0.026 0.000 0.220 123 L C 1.964 178.512 176.870 -0.536 0.000 1.081 123 L CA 2.538 56.891 54.840 -0.812 0.000 0.780 123 L CB -0.649 40.914 42.059 -0.826 0.000 0.893 123 L HN 0.762 nan 8.230 nan 0.000 0.438 124 T N -4.867 109.479 114.554 -0.347 0.000 3.252 124 T HA -0.029 4.337 4.350 0.026 0.000 0.250 124 T C 0.863 175.590 174.700 0.045 0.000 1.123 124 T CA 0.034 62.080 62.100 -0.090 0.000 1.006 124 T CB -0.458 68.528 68.868 0.197 0.000 0.992 124 T HN 0.318 nan 8.240 nan 0.000 0.547 125 H N 0.524 119.453 119.070 -0.235 0.000 2.488 125 H HA 0.524 5.096 4.556 0.027 0.000 0.294 125 H C 1.635 176.341 175.328 -1.037 0.000 1.088 125 H CA -0.784 55.048 56.048 -0.360 0.000 1.086 125 H CB 0.129 29.823 29.762 -0.114 0.000 1.569 125 H HN 0.554 nan 8.280 nan 0.000 0.548 126 G N -0.026 108.052 108.800 -1.204 0.000 2.227 126 G HA2 -0.249 3.726 3.960 0.026 0.000 0.168 126 G HA3 -0.249 3.726 3.960 0.026 0.000 0.168 126 G C 0.442 175.035 174.900 -0.511 0.000 1.006 126 G CA 0.040 44.401 45.100 -1.232 0.000 0.684 126 G HN 0.463 nan 8.290 nan 0.000 0.489 127 S N 1.735 117.190 115.700 -0.408 0.000 2.558 127 S HA 0.346 4.831 4.470 0.026 0.000 0.293 127 S C -0.099 174.380 174.600 -0.201 0.000 1.292 127 S CA 0.294 58.336 58.200 -0.264 0.000 1.063 127 S CB 1.178 64.227 63.200 -0.251 0.000 0.831 127 S HN 0.199 nan 8.310 nan 0.000 0.499 128 P HA 0.026 nan 4.420 nan 0.000 0.242 128 P C 0.850 178.118 177.300 -0.052 0.000 1.197 128 P CA 0.562 63.619 63.100 -0.072 0.000 0.765 128 P CB -0.285 31.388 31.700 -0.046 0.000 0.936 129 V N -4.588 115.287 119.914 -0.064 0.000 3.427 129 V HA 0.334 4.470 4.120 0.026 0.000 0.305 129 V C 0.575 176.652 176.094 -0.029 0.000 1.412 129 V CA -0.512 61.770 62.300 -0.030 0.000 1.086 129 V CB -0.694 31.120 31.823 -0.015 0.000 0.964 129 V HN -0.001 nan 8.190 nan 0.000 0.439 130 N N 0.506 119.162 118.700 -0.074 0.000 2.432 130 N HA 0.307 5.062 4.740 0.026 0.000 0.292 130 N C 0.844 176.314 175.510 -0.066 0.000 1.193 130 N CA -0.100 52.905 53.050 -0.075 0.000 0.878 130 N CB 2.254 40.611 38.487 -0.216 0.000 1.252 130 N HN 0.184 nan 8.380 nan 0.000 0.520 131 F N 1.058 121.031 119.950 0.039 0.000 2.234 131 F HA -0.029 4.514 4.527 0.026 0.000 0.299 131 F C 2.348 178.216 175.800 0.113 0.000 1.087 131 F CA 1.034 59.072 58.000 0.062 0.000 1.340 131 F CB -1.042 38.005 39.000 0.077 0.000 1.031 131 F HN 0.419 nan 8.300 nan 0.000 0.500 132 S N 0.586 115.688 115.700 -0.997 0.000 2.374 132 S HA -0.120 4.366 4.470 0.026 0.000 0.227 132 S C 2.230 176.864 174.600 0.056 0.000 1.037 132 S CA 1.152 59.178 58.200 -0.290 0.000 1.024 132 S CB -1.705 61.234 63.200 -0.436 0.000 0.861 132 S HN 0.567 nan 8.310 nan 0.000 0.456 133 G N 0.142 108.859 108.800 -0.139 0.000 2.712 133 G HA2 0.195 4.171 3.960 0.026 0.000 0.212 133 G HA3 0.195 4.171 3.960 0.026 0.000 0.212 133 G C 1.215 176.121 174.900 0.010 0.000 1.142 133 G CA 0.570 45.653 45.100 -0.028 0.000 0.789 133 G HN 0.485 nan 8.290 nan 0.000 0.535 134 V N -0.196 119.715 119.914 -0.005 0.000 2.575 134 V HA -0.027 4.108 4.120 0.026 0.000 0.242 134 V C 2.532 178.622 176.094 -0.008 0.000 1.045 134 V CA 1.552 63.862 62.300 0.017 0.000 1.065 134 V CB 0.308 32.161 31.823 0.049 0.000 0.717 134 V HN 0.339 nan 8.190 nan 0.000 0.467 135 Q N -0.411 119.334 119.800 -0.092 0.000 2.137 135 Q HA -0.005 4.351 4.340 0.026 0.000 0.198 135 Q C -0.012 175.604 176.000 -0.639 0.000 0.960 135 Q CA 1.407 57.006 55.803 -0.340 0.000 0.847 135 Q CB 0.077 28.450 28.738 -0.608 0.000 0.915 135 Q HN 0.648 nan 8.270 nan 0.000 0.448 136 Y N -1.197 119.118 120.300 0.025 0.000 2.633 136 Y HA 0.433 4.998 4.550 0.026 0.000 0.339 136 Y C -0.522 175.350 175.900 -0.045 0.000 1.045 136 Y CA -1.963 56.093 58.100 -0.074 0.000 1.098 136 Y CB 0.751 39.146 38.460 -0.109 0.000 1.296 136 Y HN -0.155 nan 8.280 nan 0.000 0.494 137 N N 0.928 119.648 118.700 0.033 0.000 2.527 137 N HA 0.289 5.044 4.740 0.026 0.000 0.236 137 N C -1.930 173.521 175.510 -0.098 0.000 0.999 137 N CA -0.187 52.853 53.050 -0.015 0.000 0.935 137 N CB -0.104 38.351 38.487 -0.053 0.000 1.132 137 N HN 0.422 nan 8.380 nan 0.000 0.511 138 F N 2.531 122.431 119.950 -0.084 0.000 2.394 138 F HA 0.361 4.904 4.527 0.027 0.000 0.340 138 F C 0.434 176.142 175.800 -0.153 0.000 1.105 138 F CA -0.575 57.355 58.000 -0.116 0.000 1.124 138 F CB 1.239 40.175 39.000 -0.108 0.000 1.145 138 F HN 0.179 nan 8.300 nan 0.000 0.505 139 V N 1.120 121.013 119.914 -0.035 0.000 2.628 139 V HA 0.946 5.081 4.120 0.026 0.000 0.306 139 V C -0.400 175.669 176.094 -0.042 0.000 1.045 139 V CA -1.031 61.179 62.300 -0.150 0.000 0.905 139 V CB 1.024 32.579 31.823 -0.445 0.000 0.997 139 V HN 0.886 nan 8.190 nan 0.000 0.436 140 A N 3.941 126.717 122.820 -0.073 0.000 2.294 140 A HA 0.974 5.309 4.320 0.026 0.000 0.330 140 A C -0.809 176.743 177.584 -0.053 0.000 1.133 140 A CA -0.647 51.316 52.037 -0.124 0.000 0.836 140 A CB 1.231 20.106 19.000 -0.208 0.000 1.190 140 A HN 1.652 nan 8.150 nan 0.000 0.492 141 Y N -1.202 119.061 120.300 -0.061 0.000 2.536 141 Y HA 0.842 5.408 4.550 0.027 0.000 0.347 141 Y C 0.244 176.072 175.900 -0.119 0.000 1.000 141 Y CA -0.825 57.241 58.100 -0.057 0.000 1.051 141 Y CB 1.032 39.483 38.460 -0.015 0.000 1.259 141 Y HN 0.886 nan 8.280 nan 0.000 0.468 142 G N 0.427 109.310 108.800 0.138 0.000 3.105 142 G HA2 0.621 4.597 3.960 0.026 0.000 0.277 142 G HA3 0.621 4.597 3.960 0.026 0.000 0.277 142 G C -1.158 173.944 174.900 0.338 0.000 1.375 142 G CA -0.627 44.568 45.100 0.158 0.000 0.962 142 G HN 1.124 nan 8.290 nan 0.000 0.541 143 V N -1.854 118.385 119.914 0.541 0.000 2.837 143 V HA 0.513 4.649 4.120 0.026 0.000 0.310 143 V C 0.174 176.470 176.094 0.337 0.000 1.059 143 V CA -1.090 61.404 62.300 0.322 0.000 1.004 143 V CB 1.718 33.719 31.823 0.297 0.000 1.045 143 V HN 0.704 nan 8.190 nan 0.000 0.465 144 D N 2.641 123.190 120.400 0.248 0.000 2.443 144 D HA 0.132 4.788 4.640 0.026 0.000 0.239 144 D C -1.733 174.685 176.300 0.196 0.000 1.136 144 D CA -1.036 53.071 54.000 0.178 0.000 0.879 144 D CB 2.020 42.875 40.800 0.091 0.000 1.195 144 D HN 0.376 nan 8.370 nan 0.000 0.443 145 P HA -0.123 nan 4.420 nan 0.000 0.216 145 P C 0.682 177.930 177.300 -0.087 0.000 1.150 145 P CA 1.245 64.277 63.100 -0.113 0.000 0.837 145 P CB 0.336 31.867 31.700 -0.282 0.000 0.786 146 E N -1.790 118.309 120.200 -0.168 0.000 2.290 146 E HA 0.010 4.376 4.350 0.026 0.000 0.197 146 E C 1.815 178.113 176.600 -0.504 0.000 0.948 146 E CA 1.373 57.597 56.400 -0.292 0.000 0.895 146 E CB -1.000 28.606 29.700 -0.157 0.000 0.865 146 E HN 0.337 nan 8.360 nan 0.000 0.486 147 T N -1.871 112.496 114.554 -0.311 0.000 3.067 147 T HA -0.035 4.331 4.350 0.026 0.000 0.257 147 T C 0.498 175.094 174.700 -0.173 0.000 1.105 147 T CA 0.313 62.275 62.100 -0.230 0.000 1.104 147 T CB -0.216 68.616 68.868 -0.060 0.000 0.925 147 T HN 0.074 nan 8.240 nan 0.000 0.498 148 H N -0.574 118.545 119.070 0.083 0.000 2.921 148 H HA -0.106 4.466 4.556 0.027 0.000 0.281 148 H C -0.143 175.314 175.328 0.215 0.000 1.165 148 H CA 0.374 56.493 56.048 0.120 0.000 1.151 148 H CB -2.662 27.144 29.762 0.072 0.000 1.311 148 H HN 0.391 nan 8.280 nan 0.000 0.361 149 V N 1.177 121.268 119.914 0.294 0.000 2.539 149 V HA 0.213 4.349 4.120 0.026 0.000 0.292 149 V C 1.586 177.862 176.094 0.304 0.000 1.045 149 V CA -0.714 61.809 62.300 0.371 0.000 0.945 149 V CB 1.782 33.740 31.823 0.226 0.000 0.993 149 V HN 0.167 nan 8.190 nan 0.000 0.464 150 I N 3.543 124.259 120.570 0.243 0.000 2.826 150 I HA -0.055 4.131 4.170 0.026 0.000 0.295 150 I C 0.641 176.600 176.117 -0.262 0.000 1.213 150 I CA 0.665 61.880 61.300 -0.141 0.000 1.436 150 I CB 0.121 37.848 38.000 -0.455 0.000 1.348 150 I HN 0.606 nan 8.210 nan 0.000 0.570 151 D N 6.542 126.842 120.400 -0.167 0.000 2.411 151 D HA 0.063 4.719 4.640 0.026 0.000 0.225 151 D C 0.574 176.692 176.300 -0.303 0.000 1.156 151 D CA -0.054 53.870 54.000 -0.127 0.000 0.874 151 D CB 0.473 41.283 40.800 0.017 0.000 1.034 151 D HN 0.347 nan 8.370 nan 0.000 0.502 152 Y N 1.693 121.924 120.300 -0.115 0.000 2.333 152 Y HA -0.134 4.432 4.550 0.026 0.000 0.290 152 Y C 2.021 177.814 175.900 -0.179 0.000 1.144 152 Y CA 0.718 58.678 58.100 -0.235 0.000 1.228 152 Y CB 0.212 38.529 38.460 -0.238 0.000 0.985 152 Y HN 0.402 nan 8.280 nan 0.000 0.542 153 D N -0.126 120.280 120.400 0.010 0.000 2.144 153 D HA -0.173 4.483 4.640 0.026 0.000 0.200 153 D C 1.644 177.929 176.300 -0.025 0.000 0.978 153 D CA 1.436 55.432 54.000 -0.006 0.000 0.833 153 D CB -0.257 40.550 40.800 0.012 0.000 0.961 153 D HN 0.366 nan 8.370 nan 0.000 0.470 154 D N 0.550 120.934 120.400 -0.026 0.000 2.097 154 D HA -0.125 4.531 4.640 0.026 0.000 0.195 154 D C 2.152 178.432 176.300 -0.033 0.000 0.989 154 D CA 0.583 54.584 54.000 0.002 0.000 0.827 154 D CB 0.024 40.853 40.800 0.047 0.000 0.966 154 D HN -0.049 nan 8.370 nan 0.000 0.456 155 V N 0.546 120.353 119.914 -0.177 0.000 2.332 155 V HA -0.199 3.937 4.120 0.026 0.000 0.248 155 V C 2.665 178.657 176.094 -0.170 0.000 1.055 155 V CA 1.950 64.055 62.300 -0.325 0.000 1.038 155 V CB -0.593 30.781 31.823 -0.748 0.000 0.651 155 V HN 0.216 nan 8.190 nan 0.000 0.450 156 R N -0.234 120.190 120.500 -0.127 0.000 2.115 156 R HA -0.139 4.216 4.340 0.026 0.000 0.226 156 R C 2.360 178.641 176.300 -0.031 0.000 1.100 156 R CA 1.475 57.531 56.100 -0.072 0.000 0.980 156 R CB -0.117 30.145 30.300 -0.062 0.000 0.875 156 R HN 0.632 nan 8.270 nan 0.000 0.445 157 E N 0.163 120.352 120.200 -0.018 0.000 2.072 157 E HA -0.158 4.208 4.350 0.026 0.000 0.191 157 E C 1.555 178.169 176.600 0.023 0.000 0.985 157 E CA 0.899 57.299 56.400 -0.001 0.000 0.801 157 E CB 0.270 29.975 29.700 0.008 0.000 0.750 157 E HN 0.131 nan 8.360 nan 0.000 0.452 158 K N 0.416 120.858 120.400 0.070 0.000 2.026 158 K HA -0.115 4.221 4.320 0.026 0.000 0.208 158 K C 2.104 178.795 176.600 0.152 0.000 1.048 158 K CA 1.042 57.437 56.287 0.180 0.000 0.929 158 K CB -0.639 31.994 32.500 0.222 0.000 0.713 158 K HN 0.122 nan 8.250 nan 0.000 0.439 159 A N 2.123 124.991 122.820 0.080 0.000 1.869 159 A HA -0.242 4.094 4.320 0.026 0.000 0.218 159 A C 2.289 179.891 177.584 0.031 0.000 1.203 159 A CA 1.999 54.070 52.037 0.056 0.000 0.638 159 A CB -0.599 18.411 19.000 0.017 0.000 0.831 159 A HN 0.300 nan 8.150 nan 0.000 0.450 160 R N -1.330 119.170 120.500 0.000 0.000 2.096 160 R HA -0.087 4.269 4.340 0.026 0.000 0.235 160 R C 2.165 178.435 176.300 -0.051 0.000 1.127 160 R CA 1.331 57.419 56.100 -0.021 0.000 0.968 160 R CB -0.579 29.706 30.300 -0.025 0.000 0.861 160 R HN 0.519 nan 8.270 nan 0.000 0.440 161 L N 0.350 121.519 121.223 -0.089 0.000 2.005 161 L HA -0.156 4.200 4.340 0.026 0.000 0.207 161 L C 1.959 178.648 176.870 -0.302 0.000 1.072 161 L CA 1.930 56.636 54.840 -0.224 0.000 0.744 161 L CB -0.482 41.385 42.059 -0.319 0.000 0.895 161 L HN 0.195 nan 8.230 nan 0.000 0.433 162 H N 0.247 119.316 119.070 -0.001 0.000 2.544 162 H HA 0.212 4.784 4.556 0.026 0.000 0.269 162 H C 0.011 175.329 175.328 -0.017 0.000 0.970 162 H CA 0.214 56.257 56.048 -0.008 0.000 1.219 162 H CB 0.173 29.932 29.762 -0.006 0.000 1.421 162 H HN 0.209 nan 8.280 nan 0.000 0.555 163 R N 0.725 121.265 120.500 0.066 0.000 3.059 163 R HA -0.104 4.252 4.340 0.026 0.000 0.251 163 R C -2.627 173.688 176.300 0.026 0.000 0.886 163 R CA 0.071 56.189 56.100 0.030 0.000 0.634 163 R CB -2.135 28.169 30.300 0.007 0.000 1.282 163 R HN 0.436 nan 8.270 nan 0.000 0.487 164 P HA 0.097 nan 4.420 nan 0.000 0.275 164 P C 0.535 177.817 177.300 -0.030 0.000 1.228 164 P CA -0.364 62.723 63.100 -0.022 0.000 0.786 164 P CB 0.983 32.669 31.700 -0.024 0.000 0.927 165 K N 1.319 121.684 120.400 -0.060 0.000 2.217 165 K HA -0.028 4.308 4.320 0.026 0.000 0.202 165 K C 0.479 177.101 176.600 0.036 0.000 1.051 165 K CA 0.681 56.956 56.287 -0.019 0.000 0.952 165 K CB -0.024 32.454 32.500 -0.037 0.000 0.736 165 K HN 0.429 nan 8.250 nan 0.000 0.453 166 L N 0.143 121.352 121.223 -0.024 0.000 2.465 166 L HA 0.474 4.829 4.340 0.026 0.000 0.257 166 L C -1.748 175.125 176.870 0.004 0.000 0.988 166 L CA -0.675 54.190 54.840 0.042 0.000 0.827 166 L CB 1.966 44.020 42.059 -0.008 0.000 1.397 166 L HN -0.107 nan 8.230 nan 0.000 0.410 167 I N 3.963 124.598 120.570 0.107 0.000 2.406 167 I HA 0.507 4.693 4.170 0.026 0.000 0.290 167 I C -0.870 175.342 176.117 0.159 0.000 0.999 167 I CA -0.968 60.423 61.300 0.152 0.000 1.124 167 I CB 2.039 40.176 38.000 0.228 0.000 1.289 167 I HN 0.286 nan 8.210 nan 0.000 0.441 168 V N 5.557 125.559 119.914 0.148 0.000 2.394 168 V HA 0.717 4.853 4.120 0.026 0.000 0.282 168 V C 0.230 176.327 176.094 0.006 0.000 1.031 168 V CA -0.375 61.959 62.300 0.057 0.000 0.881 168 V CB 1.441 33.272 31.823 0.013 0.000 0.982 168 V HN 0.832 nan 8.190 nan 0.000 0.451 169 A N 4.185 126.897 122.820 -0.181 0.000 2.374 169 A HA 1.056 5.392 4.320 0.026 0.000 0.317 169 A C -0.060 177.419 177.584 -0.175 0.000 1.094 169 A CA 0.076 51.875 52.037 -0.396 0.000 0.765 169 A CB 1.617 19.858 19.000 -1.265 0.000 1.268 169 A HN 2.417 nan 8.150 nan 0.000 0.438 170 A N -0.553 122.226 122.820 -0.067 0.000 2.438 170 A HA 0.590 4.926 4.320 0.026 0.000 0.684 170 A C -0.363 177.322 177.584 0.169 0.000 0.156 170 A CA -0.023 52.068 52.037 0.090 0.000 0.057 170 A CB -1.364 17.720 19.000 0.140 0.000 3.956 170 A HN 2.951 nan 8.150 nan 0.000 0.547 171 A N -0.761 122.185 122.820 0.210 0.000 2.609 171 A HA 0.865 5.201 4.320 0.026 0.000 0.291 171 A C 0.661 178.311 177.584 0.110 0.000 1.096 171 A CA 0.674 52.824 52.037 0.188 0.000 0.684 171 A CB 0.818 19.900 19.000 0.137 0.000 1.282 171 A HN 1.977 nan 8.150 nan 0.000 0.412 172 S N -0.615 115.105 115.700 0.033 0.000 2.458 172 S HA 0.338 4.824 4.470 0.026 0.000 0.223 172 S C 0.910 175.293 174.600 -0.362 0.000 1.019 172 S CA 1.146 59.264 58.200 -0.136 0.000 0.937 172 S CB 0.199 63.450 63.200 0.084 0.000 0.788 172 S HN 1.706 nan 8.310 nan 0.000 0.511 173 A N 0.584 123.326 122.820 -0.131 0.000 3.415 173 A HA 0.483 4.818 4.320 0.026 0.000 0.244 173 A C -1.002 176.606 177.584 0.041 0.000 0.988 173 A CA -0.344 51.629 52.037 -0.106 0.000 0.991 173 A CB 0.056 19.005 19.000 -0.085 0.000 1.240 173 A HN 0.343 nan 8.150 nan 0.000 0.541 174 Y N 1.941 122.201 120.300 -0.066 0.000 2.345 174 Y HA 0.538 5.104 4.550 0.026 0.000 0.331 174 Y C -2.191 173.719 175.900 0.016 0.000 0.959 174 Y CA -2.317 55.785 58.100 0.004 0.000 1.204 174 Y CB 2.168 40.665 38.460 0.061 0.000 1.135 174 Y HN 0.283 nan 8.280 nan 0.000 0.477 175 P HA 0.062 nan 4.420 nan 0.000 0.249 175 P C -0.363 176.773 177.300 -0.274 0.000 1.241 175 P CA 0.656 63.616 63.100 -0.234 0.000 0.781 175 P CB 0.346 31.938 31.700 -0.180 0.000 1.088 176 R N -0.027 120.147 120.500 -0.544 0.000 2.803 176 R HA 0.465 4.820 4.340 0.026 0.000 0.276 176 R C 0.432 176.742 176.300 0.018 0.000 0.978 176 R CA -1.510 54.391 56.100 -0.332 0.000 0.939 176 R CB 0.932 30.946 30.300 -0.476 0.000 1.179 176 R HN 0.019 nan 8.270 nan 0.000 0.472 177 I N 2.903 123.539 120.570 0.110 0.000 2.775 177 I HA -0.057 4.129 4.170 0.026 0.000 0.290 177 I C 0.527 176.790 176.117 0.243 0.000 1.203 177 I CA 0.646 62.045 61.300 0.165 0.000 1.433 177 I CB 0.215 38.146 38.000 -0.116 0.000 1.354 177 I HN 0.276 nan 8.210 nan 0.000 0.579 178 I N 5.638 126.346 120.570 0.230 0.000 2.353 178 I HA 0.112 4.298 4.170 0.026 0.000 0.293 178 I C 0.307 176.195 176.117 -0.381 0.000 0.992 178 I CA -0.353 60.970 61.300 0.039 0.000 1.268 178 I CB 1.017 38.974 38.000 -0.072 0.000 1.387 178 I HN 0.480 nan 8.210 nan 0.000 0.478 179 D N 6.547 126.908 120.400 -0.065 0.000 2.453 179 D HA 0.126 4.782 4.640 0.026 0.000 0.223 179 D C 0.840 177.117 176.300 -0.038 0.000 1.183 179 D CA 0.077 53.958 54.000 -0.198 0.000 0.933 179 D CB 0.346 40.928 40.800 -0.365 0.000 1.038 179 D HN 0.381 nan 8.370 nan 0.000 0.513 180 F N 1.853 121.835 119.950 0.052 0.000 2.171 180 F HA -0.179 4.364 4.527 0.026 0.000 0.300 180 F C 2.565 178.202 175.800 -0.271 0.000 1.090 180 F CA 0.726 58.728 58.000 0.004 0.000 1.293 180 F CB -0.087 38.946 39.000 0.056 0.000 1.013 180 F HN 0.429 nan 8.300 nan 0.000 0.486 181 A N 0.708 123.152 122.820 -0.626 0.000 1.883 181 A HA -0.239 4.096 4.320 0.026 0.000 0.217 181 A C 2.185 179.635 177.584 -0.224 0.000 1.186 181 A CA 1.873 53.533 52.037 -0.627 0.000 0.624 181 A CB -0.639 17.996 19.000 -0.607 0.000 0.822 181 A HN 0.328 nan 8.150 nan 0.000 0.444 182 K N -1.490 118.762 120.400 -0.246 0.000 2.057 182 K HA -0.122 4.214 4.320 0.026 0.000 0.207 182 K C 1.726 178.240 176.600 -0.142 0.000 1.049 182 K CA 1.557 57.685 56.287 -0.266 0.000 0.931 182 K CB -0.418 31.750 32.500 -0.554 0.000 0.714 182 K HN 0.468 nan 8.250 nan 0.000 0.440 183 F N 1.453 121.402 119.950 -0.001 0.000 2.126 183 F HA -0.217 4.326 4.527 0.027 0.000 0.299 183 F C 2.694 178.525 175.800 0.051 0.000 1.096 183 F CA 1.327 59.368 58.000 0.069 0.000 1.255 183 F CB -0.275 38.825 39.000 0.167 0.000 0.997 183 F HN -0.051 nan 8.300 nan 0.000 0.479 184 R N 0.999 121.630 120.500 0.218 0.000 2.073 184 R HA -0.151 4.204 4.340 0.026 0.000 0.234 184 R C 1.967 178.322 176.300 0.092 0.000 1.134 184 R CA 1.816 58.007 56.100 0.151 0.000 0.952 184 R CB -0.779 29.622 30.300 0.168 0.000 0.850 184 R HN 0.363 nan 8.270 nan 0.000 0.433 185 E N -0.329 119.893 120.200 0.038 0.000 2.058 185 E HA -0.195 4.171 4.350 0.026 0.000 0.194 185 E C 2.088 178.690 176.600 0.003 0.000 0.997 185 E CA 1.739 58.144 56.400 0.008 0.000 0.801 185 E CB -0.251 29.426 29.700 -0.038 0.000 0.746 185 E HN 0.339 nan 8.360 nan 0.000 0.450 186 I N 1.082 121.642 120.570 -0.016 0.000 2.179 186 I HA -0.292 3.893 4.170 0.026 0.000 0.242 186 I C 2.571 178.700 176.117 0.021 0.000 1.088 186 I CA 1.040 62.326 61.300 -0.023 0.000 1.357 186 I CB -0.341 37.610 38.000 -0.082 0.000 1.051 186 I HN 0.098 nan 8.210 nan 0.000 0.409 187 A N 0.445 123.306 122.820 0.070 0.000 1.908 187 A HA -0.251 4.084 4.320 0.026 0.000 0.218 187 A C 1.943 179.565 177.584 0.063 0.000 1.181 187 A CA 2.152 54.245 52.037 0.093 0.000 0.627 187 A CB -0.610 18.490 19.000 0.166 0.000 0.818 187 A HN 0.359 nan 8.150 nan 0.000 0.445 188 D N -0.678 119.759 120.400 0.062 0.000 2.117 188 D HA -0.157 4.498 4.640 0.026 0.000 0.197 188 D C 1.866 178.175 176.300 0.015 0.000 0.987 188 D CA 1.431 55.456 54.000 0.041 0.000 0.829 188 D CB -0.428 40.398 40.800 0.044 0.000 0.961 188 D HN 0.732 nan 8.370 nan 0.000 0.460 189 E N 0.412 120.618 120.200 0.010 0.000 2.097 189 E HA -0.180 4.186 4.350 0.026 0.000 0.196 189 E C 1.746 178.343 176.600 -0.005 0.000 1.000 189 E CA 1.566 57.965 56.400 -0.002 0.000 0.804 189 E CB 0.214 29.909 29.700 -0.008 0.000 0.740 189 E HN 0.243 nan 8.360 nan 0.000 0.454 190 V N -3.225 116.688 119.914 -0.001 0.000 3.621 190 V HA 0.429 4.564 4.120 0.026 0.000 0.285 190 V C 0.927 177.011 176.094 -0.016 0.000 1.346 190 V CA 0.379 62.675 62.300 -0.006 0.000 1.104 190 V CB 0.029 31.853 31.823 0.002 0.000 0.913 190 V HN 0.299 nan 8.190 nan 0.000 0.432 191 G N 0.385 109.171 108.800 -0.023 0.000 2.272 191 G HA2 0.043 4.018 3.960 0.026 0.000 0.280 191 G HA3 0.043 4.018 3.960 0.026 0.000 0.280 191 G C 0.158 174.998 174.900 -0.100 0.000 1.067 191 G CA 0.387 45.449 45.100 -0.062 0.000 0.902 191 G HN 1.685 nan 8.290 nan 0.000 0.500 192 A N -0.617 122.168 122.820 -0.057 0.000 2.320 192 A HA 0.871 5.207 4.320 0.026 0.000 0.334 192 A C -0.016 177.540 177.584 -0.046 0.000 1.147 192 A CA -0.807 51.207 52.037 -0.038 0.000 0.820 192 A CB 1.004 20.031 19.000 0.046 0.000 1.218 192 A HN 0.535 nan 8.150 nan 0.000 0.482 193 Y N -0.233 120.072 120.300 0.009 0.000 2.299 193 Y HA 0.415 4.981 4.550 0.027 0.000 0.335 193 Y C 0.261 176.330 175.900 0.281 0.000 1.287 193 Y CA 0.211 58.316 58.100 0.009 0.000 1.424 193 Y CB 0.778 39.235 38.460 -0.005 0.000 1.326 193 Y HN 0.532 nan 8.280 nan 0.000 0.567 194 L N 3.409 125.090 121.223 0.763 0.000 2.325 194 L HA 0.499 4.854 4.340 0.026 0.000 0.281 194 L C -1.027 176.030 176.870 0.311 0.000 1.004 194 L CA -0.862 54.205 54.840 0.379 0.000 0.823 194 L CB 1.168 43.344 42.059 0.195 0.000 1.236 194 L HN 0.675 nan 8.230 nan 0.000 0.415 195 M N 5.695 125.431 119.600 0.227 0.000 2.181 195 M HA 0.538 5.033 4.480 0.026 0.000 0.323 195 M C -1.631 174.682 176.300 0.022 0.000 1.004 195 M CA -0.663 54.745 55.300 0.180 0.000 0.941 195 M CB 1.452 34.180 32.600 0.213 0.000 1.579 195 M HN 0.404 nan 8.290 nan 0.000 0.427 196 V N 4.316 124.192 119.914 -0.064 0.000 2.370 196 V HA 0.244 4.380 4.120 0.026 0.000 0.283 196 V C -0.376 175.639 176.094 -0.131 0.000 1.023 196 V CA -0.603 61.588 62.300 -0.182 0.000 0.857 196 V CB 1.454 32.997 31.823 -0.467 0.000 0.985 196 V HN 0.704 nan 8.190 nan 0.000 0.443 197 D N 5.803 126.157 120.400 -0.077 0.000 2.456 197 D HA 0.238 4.894 4.640 0.026 0.000 0.219 197 D C 0.820 177.108 176.300 -0.021 0.000 1.126 197 D CA -0.472 53.515 54.000 -0.022 0.000 0.890 197 D CB 1.196 42.058 40.800 0.104 0.000 1.025 197 D HN 0.613 nan 8.370 nan 0.000 0.511 198 M N 1.813 121.354 119.600 -0.099 0.000 2.494 198 M HA 0.330 4.826 4.480 0.026 0.000 0.232 198 M C 1.574 177.819 176.300 -0.092 0.000 1.137 198 M CA -0.302 54.945 55.300 -0.088 0.000 1.012 198 M CB 0.494 32.993 32.600 -0.167 0.000 1.567 198 M HN 0.136 nan 8.290 nan 0.000 0.486 199 A N 1.614 124.372 122.820 -0.103 0.000 1.887 199 A HA -0.319 4.017 4.320 0.026 0.000 0.225 199 A C 1.825 179.286 177.584 -0.206 0.000 1.464 199 A CA 2.801 54.734 52.037 -0.174 0.000 0.717 199 A CB -1.641 17.238 19.000 -0.201 0.000 0.848 199 A HN 0.746 nan 8.150 nan 0.000 0.477 200 H N -0.321 118.683 119.070 -0.110 0.000 2.387 200 H HA -0.055 4.516 4.556 0.026 0.000 0.299 200 H C 1.745 176.878 175.328 -0.324 0.000 1.099 200 H CA 1.913 57.884 56.048 -0.128 0.000 1.315 200 H CB -0.193 29.619 29.762 0.083 0.000 1.380 200 H HN 0.701 nan 8.280 nan 0.000 0.513 201 I N -3.194 117.313 120.570 -0.104 0.000 3.941 201 I HA 0.413 4.598 4.170 0.026 0.000 0.335 201 I C 1.844 177.931 176.117 -0.049 0.000 1.402 201 I CA 0.234 61.441 61.300 -0.154 0.000 1.112 201 I CB 0.371 38.244 38.000 -0.211 0.000 1.043 201 I HN 0.073 nan 8.210 nan 0.000 0.395 202 A N 2.010 124.812 122.820 -0.031 0.000 1.978 202 A HA -0.036 4.300 4.320 0.026 0.000 0.220 202 A C 2.292 180.042 177.584 0.277 0.000 1.170 202 A CA 1.941 54.022 52.037 0.075 0.000 0.636 202 A CB -1.219 17.768 19.000 -0.022 0.000 0.810 202 A HN 0.558 nan 8.150 nan 0.000 0.448 203 G N -0.458 108.486 108.800 0.241 0.000 2.430 203 G HA2 -0.019 3.957 3.960 0.026 0.000 0.216 203 G HA3 -0.019 3.957 3.960 0.026 0.000 0.216 203 G C 1.492 176.619 174.900 0.377 0.000 1.146 203 G CA 0.810 46.176 45.100 0.444 0.000 0.793 203 G HN 0.440 nan 8.290 nan 0.000 0.537 204 L N 0.349 121.688 121.223 0.195 0.000 2.093 204 L HA -0.031 4.324 4.340 0.026 0.000 0.208 204 L C 2.875 179.886 176.870 0.235 0.000 1.085 204 L CA 0.324 55.261 54.840 0.161 0.000 0.755 204 L CB -0.566 41.560 42.059 0.112 0.000 0.904 204 L HN 0.051 nan 8.230 nan 0.000 0.435 205 V N 0.410 120.485 119.914 0.269 0.000 2.358 205 V HA -0.239 3.896 4.120 0.026 0.000 0.246 205 V C 2.817 179.087 176.094 0.293 0.000 1.047 205 V CA 1.723 64.219 62.300 0.325 0.000 1.035 205 V CB -0.747 31.283 31.823 0.345 0.000 0.658 205 V HN 0.459 nan 8.190 nan 0.000 0.452 206 A N -0.083 122.914 122.820 0.295 0.000 1.978 206 A HA -0.056 4.280 4.320 0.026 0.000 0.220 206 A C 2.089 179.746 177.584 0.123 0.000 1.170 206 A CA 1.917 53.993 52.037 0.065 0.000 0.636 206 A CB -0.481 18.503 19.000 -0.027 0.000 0.810 206 A HN 0.623 nan 8.150 nan 0.000 0.448 207 A N -1.870 121.086 122.820 0.228 0.000 2.415 207 A HA 0.457 4.793 4.320 0.026 0.000 0.248 207 A C 1.608 179.267 177.584 0.125 0.000 1.299 207 A CA 0.958 53.111 52.037 0.192 0.000 0.899 207 A CB -0.998 18.116 19.000 0.190 0.000 0.997 207 A HN 1.847 nan 8.150 nan 0.000 0.506 208 G N -0.758 108.119 108.800 0.128 0.000 2.155 208 G HA2 -0.270 3.706 3.960 0.026 0.000 0.257 208 G HA3 -0.270 3.706 3.960 0.026 0.000 0.257 208 G C 0.642 175.608 174.900 0.109 0.000 0.983 208 G CA 0.629 45.795 45.100 0.110 0.000 0.676 208 G HN 0.567 nan 8.290 nan 0.000 0.528 209 L N -0.156 121.143 121.223 0.128 0.000 2.607 209 L HA 0.346 4.702 4.340 0.026 0.000 0.228 209 L C 0.891 177.863 176.870 0.171 0.000 1.123 209 L CA -0.043 54.865 54.840 0.114 0.000 0.890 209 L CB 0.164 42.270 42.059 0.079 0.000 1.103 209 L HN 0.402 nan 8.230 nan 0.000 0.468 210 H N 0.875 120.016 119.070 0.118 0.000 2.954 210 H HA 0.315 4.887 4.556 0.027 0.000 0.361 210 H C -2.689 172.752 175.328 0.189 0.000 1.122 210 H CA -1.649 54.484 56.048 0.142 0.000 1.217 210 H CB 2.790 32.651 29.762 0.164 0.000 1.776 210 H HN -0.249 nan 8.280 nan 0.000 0.533 211 P HA -0.090 nan 4.420 nan 0.000 0.266 211 P C -0.103 177.528 177.300 0.551 0.000 1.186 211 P CA 0.179 63.416 63.100 0.227 0.000 0.767 211 P CB 0.782 32.539 31.700 0.095 0.000 0.820 212 N N 3.360 122.321 118.700 0.434 0.000 2.434 212 N HA 0.154 4.910 4.740 0.026 0.000 0.272 212 N C -1.587 174.120 175.510 0.327 0.000 1.040 212 N CA -2.441 50.818 53.050 0.349 0.000 0.956 212 N CB 0.764 39.383 38.487 0.221 0.000 1.108 212 N HN 0.194 nan 8.380 nan 0.000 0.481 213 P HA -0.032 nan 4.420 nan 0.000 0.227 213 P C 1.368 178.575 177.300 -0.155 0.000 1.161 213 P CA 0.315 63.199 63.100 -0.360 0.000 0.788 213 P CB 0.546 31.529 31.700 -1.194 0.000 0.822 214 V N 1.974 121.823 119.914 -0.108 0.000 2.278 214 V HA -0.183 3.952 4.120 0.026 0.000 0.251 214 V C -0.218 175.799 176.094 -0.127 0.000 1.062 214 V CA 2.750 64.992 62.300 -0.096 0.000 1.038 214 V CB -2.542 29.262 31.823 -0.031 0.000 0.646 214 V HN 0.205 nan 8.190 nan 0.000 0.447 215 P HA -0.104 nan 4.420 nan 0.000 0.220 215 P C 0.983 178.029 177.300 -0.424 0.000 1.148 215 P CA 1.442 64.327 63.100 -0.359 0.000 0.803 215 P CB -0.075 31.312 31.700 -0.521 0.000 0.782 216 Y N -1.371 118.905 120.300 -0.040 0.000 2.481 216 Y HA 0.448 5.014 4.550 0.026 0.000 0.258 216 Y C 1.309 177.117 175.900 -0.155 0.000 1.103 216 Y CA -0.407 57.664 58.100 -0.049 0.000 1.287 216 Y CB -0.338 38.162 38.460 0.067 0.000 1.108 216 Y HN -0.169 nan 8.280 nan 0.000 0.529 217 A N -0.873 121.892 122.820 -0.093 0.000 2.337 217 A HA 0.469 4.805 4.320 0.026 0.000 0.331 217 A C -0.128 177.262 177.584 -0.323 0.000 1.137 217 A CA -0.509 51.406 52.037 -0.203 0.000 0.807 217 A CB 0.500 19.412 19.000 -0.147 0.000 1.250 217 A HN 0.405 nan 8.150 nan 0.000 0.468 218 H N 0.337 119.294 119.070 -0.189 0.000 2.333 218 H HA 0.148 4.719 4.556 0.026 0.000 0.302 218 H C -0.652 174.168 175.328 -0.847 0.000 1.075 218 H CA 1.919 57.642 56.048 -0.543 0.000 1.348 218 H CB -0.021 29.205 29.762 -0.894 0.000 1.393 218 H HN 0.548 nan 8.280 nan 0.000 0.509 219 F N -0.028 119.939 119.950 0.028 0.000 2.529 219 F HA 0.487 5.030 4.527 0.026 0.000 0.320 219 F C -0.789 174.967 175.800 -0.074 0.000 1.118 219 F CA -1.201 56.777 58.000 -0.037 0.000 0.915 219 F CB 1.813 40.761 39.000 -0.087 0.000 1.161 219 F HN -0.299 nan 8.300 nan 0.000 0.445 220 V N 1.991 121.936 119.914 0.053 0.000 2.407 220 V HA 0.526 4.661 4.120 0.026 0.000 0.291 220 V C -0.262 175.784 176.094 -0.080 0.000 1.018 220 V CA -0.685 61.568 62.300 -0.079 0.000 0.842 220 V CB 1.836 33.550 31.823 -0.182 0.000 0.996 220 V HN 0.886 nan 8.190 nan 0.000 0.426 221 T N 0.948 115.449 114.554 -0.087 0.000 2.895 221 T HA 0.792 5.158 4.350 0.026 0.000 0.283 221 T C -0.339 174.279 174.700 -0.137 0.000 1.014 221 T CA -0.620 61.426 62.100 -0.090 0.000 1.037 221 T CB 2.021 70.850 68.868 -0.064 0.000 1.006 221 T HN 0.664 nan 8.240 nan 0.000 0.468 222 T N 0.946 115.416 114.554 -0.139 0.000 2.853 222 T HA 0.652 5.018 4.350 0.026 0.000 0.311 222 T C -0.278 174.347 174.700 -0.126 0.000 1.307 222 T CA -0.424 61.578 62.100 -0.164 0.000 1.019 222 T CB 1.584 70.304 68.868 -0.247 0.000 1.264 222 T HN 1.135 nan 8.240 nan 0.000 0.497 223 T N -0.070 114.374 114.554 -0.183 0.000 2.874 223 T HA 0.447 4.813 4.350 0.026 0.000 0.281 223 T C 1.267 175.884 174.700 -0.138 0.000 0.994 223 T CA 0.111 62.080 62.100 -0.218 0.000 1.015 223 T CB 0.938 69.454 68.868 -0.587 0.000 1.028 223 T HN 0.742 nan 8.240 nan 0.000 0.523 224 T N -2.270 112.279 114.554 -0.009 0.000 3.054 224 T HA 0.096 4.461 4.350 0.026 0.000 0.255 224 T C 1.139 175.889 174.700 0.083 0.000 1.035 224 T CA -0.020 62.143 62.100 0.106 0.000 0.941 224 T CB -0.435 68.534 68.868 0.168 0.000 1.026 224 T HN 0.928 nan 8.240 nan 0.000 0.533 225 H N -0.229 118.836 119.070 -0.008 0.000 2.755 225 H HA 0.467 5.040 4.556 0.028 0.000 0.273 225 H C 0.720 176.021 175.328 -0.044 0.000 1.055 225 H CA -0.549 55.485 56.048 -0.024 0.000 1.191 225 H CB 0.326 30.064 29.762 -0.040 0.000 1.536 225 H HN 0.254 nan 8.280 nan 0.000 0.529 226 K N 1.253 121.501 120.400 -0.254 0.000 3.554 226 K HA 0.048 4.384 4.320 0.026 0.000 0.183 226 K C 1.891 178.454 176.600 -0.062 0.000 1.147 226 K CA 0.737 56.906 56.287 -0.197 0.000 1.595 226 K CB -0.331 31.923 32.500 -0.409 0.000 2.206 226 K HN 0.127 nan 8.250 nan 0.000 0.543 227 T N 0.230 114.734 114.554 -0.083 0.000 2.946 227 T HA -0.118 4.248 4.350 0.026 0.000 0.271 227 T C 1.738 176.590 174.700 0.253 0.000 1.104 227 T CA 0.850 62.981 62.100 0.052 0.000 1.114 227 T CB -0.128 68.691 68.868 -0.082 0.000 0.867 227 T HN 0.129 nan 8.240 nan 0.000 0.513 228 L N 0.982 122.318 121.223 0.188 0.000 2.376 228 L HA 0.350 4.706 4.340 0.026 0.000 0.219 228 L C 1.507 178.509 176.870 0.220 0.000 1.133 228 L CA 0.865 55.851 54.840 0.244 0.000 0.816 228 L CB -1.115 41.054 42.059 0.183 0.000 0.933 228 L HN 0.413 nan 8.230 nan 0.000 0.449 229 R N -0.816 119.798 120.500 0.190 0.000 3.332 229 R HA -0.149 4.207 4.340 0.026 0.000 0.263 229 R C 0.267 176.613 176.300 0.076 0.000 1.053 229 R CA 0.409 56.592 56.100 0.139 0.000 0.705 229 R CB -1.623 28.786 30.300 0.181 0.000 1.166 229 R HN 0.558 nan 8.270 nan 0.000 0.427 230 G N 0.233 109.076 108.800 0.072 0.000 3.175 230 G HA2 0.714 4.690 3.960 0.026 0.000 0.255 230 G HA3 0.714 4.690 3.960 0.026 0.000 0.255 230 G C -2.723 172.198 174.900 0.034 0.000 1.352 230 G CA -0.906 44.205 45.100 0.018 0.000 1.037 230 G HN 0.121 nan 8.290 nan 0.000 0.556 231 P HA 0.171 nan 4.420 nan 0.000 0.272 231 P C -0.638 176.669 177.300 0.012 0.000 1.240 231 P CA -0.439 62.643 63.100 -0.029 0.000 0.791 231 P CB 1.094 32.742 31.700 -0.087 0.000 0.978 232 R N 0.560 121.004 120.500 -0.093 0.000 2.288 232 R HA 0.501 4.856 4.340 0.026 0.000 0.330 232 R C 0.229 176.489 176.300 -0.067 0.000 1.069 232 R CA 0.412 56.359 56.100 -0.255 0.000 0.941 232 R CB -0.666 29.378 30.300 -0.427 0.000 0.998 232 R HN 0.830 nan 8.270 nan 0.000 0.452 233 G N 1.436 110.319 108.800 0.138 0.000 2.342 233 G HA2 0.434 4.409 3.960 0.026 0.000 0.297 233 G HA3 0.434 4.409 3.960 0.026 0.000 0.297 233 G C -1.304 173.684 174.900 0.147 0.000 1.313 233 G CA -0.399 44.763 45.100 0.104 0.000 0.830 233 G HN 0.754 nan 8.290 nan 0.000 0.506 234 G N -1.472 107.379 108.800 0.085 0.000 2.788 234 G HA2 0.828 4.804 3.960 0.026 0.000 0.293 234 G HA3 0.828 4.804 3.960 0.026 0.000 0.293 234 G C -0.893 174.039 174.900 0.054 0.000 1.305 234 G CA -0.483 44.649 45.100 0.053 0.000 1.005 234 G HN 1.213 nan 8.290 nan 0.000 0.496 235 M N -0.190 119.423 119.600 0.022 0.000 2.449 235 M HA 0.537 5.032 4.480 0.026 0.000 0.291 235 M C -2.157 174.129 176.300 -0.023 0.000 1.148 235 M CA -0.544 54.770 55.300 0.024 0.000 0.925 235 M CB 1.963 34.601 32.600 0.064 0.000 1.767 235 M HN 0.407 nan 8.290 nan 0.000 0.503 236 I N 5.094 125.660 120.570 -0.007 0.000 2.465 236 I HA 0.517 4.702 4.170 0.026 0.000 0.291 236 I C -1.210 174.904 176.117 -0.005 0.000 1.014 236 I CA -0.729 60.572 61.300 0.002 0.000 1.093 236 I CB 1.853 39.884 38.000 0.051 0.000 1.267 236 I HN 0.583 nan 8.210 nan 0.000 0.431 237 L N 6.135 127.352 121.223 -0.011 0.000 2.346 237 L HA 0.818 5.173 4.340 0.026 0.000 0.274 237 L C -0.492 176.431 176.870 0.090 0.000 1.007 237 L CA -0.633 54.204 54.840 -0.004 0.000 0.818 237 L CB 1.902 43.915 42.059 -0.077 0.000 1.284 237 L HN 0.822 nan 8.230 nan 0.000 0.424 238 C N -0.078 119.313 119.300 0.152 0.000 3.321 238 C HA 0.469 4.944 4.460 0.026 0.000 0.329 238 C C -0.509 174.589 174.990 0.181 0.000 1.394 238 C CA -1.074 58.060 59.018 0.193 0.000 1.291 238 C CB 1.568 29.524 27.740 0.361 0.000 1.606 238 C HN 0.891 nan 8.230 nan 0.000 0.463 239 Q N 0.730 120.635 119.800 0.175 0.000 2.454 239 Q HA 0.153 4.509 4.340 0.026 0.000 0.247 239 Q C 1.046 177.099 176.000 0.088 0.000 1.028 239 Q CA 0.057 55.933 55.803 0.121 0.000 0.910 239 Q CB 0.708 29.520 28.738 0.125 0.000 1.276 239 Q HN 0.761 nan 8.270 nan 0.000 0.489 240 E N 1.123 121.324 120.200 0.002 0.000 2.418 240 E HA -0.170 4.196 4.350 0.026 0.000 0.197 240 E C 1.280 177.791 176.600 -0.147 0.000 1.026 240 E CA 0.568 56.934 56.400 -0.057 0.000 0.862 240 E CB 0.378 30.053 29.700 -0.043 0.000 0.799 240 E HN 0.566 nan 8.360 nan 0.000 0.518 241 Q N -1.003 118.640 119.800 -0.262 0.000 2.369 241 Q HA -0.097 4.258 4.340 0.026 0.000 0.206 241 Q C 1.097 176.768 176.000 -0.549 0.000 0.963 241 Q CA 0.783 56.312 55.803 -0.456 0.000 0.894 241 Q CB -0.303 28.061 28.738 -0.624 0.000 0.965 241 Q HN 0.296 nan 8.270 nan 0.000 0.475 242 F N 0.242 120.203 119.950 0.019 0.000 2.706 242 F HA 0.438 4.981 4.527 0.026 0.000 0.308 242 F C 2.167 177.986 175.800 0.031 0.000 1.095 242 F CA -0.236 57.819 58.000 0.091 0.000 1.244 242 F CB -0.270 38.884 39.000 0.257 0.000 1.063 242 F HN 0.030 nan 8.300 nan 0.000 0.582 243 A N 0.812 123.633 122.820 0.002 0.000 1.884 243 A HA -0.323 4.013 4.320 0.026 0.000 0.219 243 A C 2.281 179.714 177.584 -0.252 0.000 1.197 243 A CA 2.388 54.214 52.037 -0.352 0.000 0.637 243 A CB -0.751 17.803 19.000 -0.743 0.000 0.827 243 A HN 0.313 nan 8.150 nan 0.000 0.450 244 K N -0.937 119.368 120.400 -0.158 0.000 2.097 244 K HA -0.200 4.136 4.320 0.026 0.000 0.206 244 K C 2.252 178.844 176.600 -0.013 0.000 1.049 244 K CA 1.800 58.031 56.287 -0.093 0.000 0.933 244 K CB -0.117 32.346 32.500 -0.062 0.000 0.717 244 K HN 0.651 nan 8.250 nan 0.000 0.442 245 Q N -0.107 119.719 119.800 0.042 0.000 2.137 245 Q HA -0.026 4.330 4.340 0.026 0.000 0.198 245 Q C 1.875 177.931 176.000 0.093 0.000 0.960 245 Q CA 0.796 56.645 55.803 0.076 0.000 0.847 245 Q CB 0.053 28.856 28.738 0.108 0.000 0.915 245 Q HN 0.181 nan 8.270 nan 0.000 0.448 246 I N 1.424 122.067 120.570 0.122 0.000 2.179 246 I HA -0.242 3.944 4.170 0.026 0.000 0.242 246 I C 1.353 177.558 176.117 0.146 0.000 1.088 246 I CA 1.486 62.870 61.300 0.140 0.000 1.357 246 I CB -1.014 37.122 38.000 0.227 0.000 1.051 246 I HN 0.214 nan 8.210 nan 0.000 0.409 247 D N 0.833 121.293 120.400 0.099 0.000 2.144 247 D HA -0.161 4.495 4.640 0.026 0.000 0.199 247 D C 2.196 178.624 176.300 0.213 0.000 0.984 247 D CA 1.096 55.127 54.000 0.051 0.000 0.834 247 D CB -0.099 40.482 40.800 -0.365 0.000 0.955 247 D HN 0.368 nan 8.370 nan 0.000 0.465 248 K N 0.331 120.821 120.400 0.149 0.000 2.228 248 K HA 0.113 4.449 4.320 0.026 0.000 0.202 248 K C 2.045 178.749 176.600 0.174 0.000 1.051 248 K CA 0.687 57.072 56.287 0.163 0.000 0.960 248 K CB 0.141 32.703 32.500 0.104 0.000 0.743 248 K HN 0.007 nan 8.250 nan 0.000 0.458 249 A N 1.861 124.802 122.820 0.201 0.000 1.877 249 A HA -0.149 4.187 4.320 0.026 0.000 0.216 249 A C 2.065 179.738 177.584 0.149 0.000 1.186 249 A CA 1.141 53.349 52.037 0.285 0.000 0.620 249 A CB -0.377 18.786 19.000 0.272 0.000 0.822 249 A HN 0.061 nan 8.150 nan 0.000 0.443 250 I N -2.537 118.131 120.570 0.164 0.000 2.142 250 I HA -0.059 4.127 4.170 0.026 0.000 0.240 250 I C 0.598 176.846 176.117 0.218 0.000 1.078 250 I CA 1.464 62.854 61.300 0.149 0.000 1.343 250 I CB -0.698 37.430 38.000 0.213 0.000 1.046 250 I HN 0.350 nan 8.210 nan 0.000 0.405 251 F N 2.895 122.944 119.950 0.165 0.000 2.941 251 F HA 0.402 4.945 4.527 0.026 0.000 0.359 251 F C -2.417 173.493 175.800 0.183 0.000 1.231 251 F CA -1.669 56.407 58.000 0.128 0.000 1.089 251 F CB 1.742 40.779 39.000 0.061 0.000 1.407 251 F HN -0.195 nan 8.300 nan 0.000 0.538 252 P HA 0.251 nan 4.420 nan 0.000 0.280 252 P C 0.867 177.915 177.300 -0.420 0.000 1.431 252 P CA 0.275 62.706 63.100 -1.116 0.000 1.058 252 P CB 1.061 32.249 31.700 -0.854 0.000 1.521 253 G N 2.380 111.077 108.800 -0.172 0.000 2.605 253 G HA2 -0.137 3.839 3.960 0.026 0.000 0.215 253 G HA3 -0.137 3.839 3.960 0.026 0.000 0.215 253 G C 1.251 175.954 174.900 -0.327 0.000 1.279 253 G CA 0.893 45.921 45.100 -0.120 0.000 0.831 253 G HN 0.360 nan 8.290 nan 0.000 0.560 254 I N -2.934 117.440 120.570 -0.326 0.000 4.181 254 I HA 0.421 4.606 4.170 0.026 0.000 0.331 254 I C 0.845 176.890 176.117 -0.121 0.000 1.312 254 I CA -0.117 60.989 61.300 -0.324 0.000 1.146 254 I CB 0.443 38.201 38.000 -0.403 0.000 1.074 254 I HN 0.066 nan 8.210 nan 0.000 0.402 255 Q N 0.917 120.712 119.800 -0.009 0.000 2.486 255 Q HA 0.651 5.006 4.340 0.026 0.000 0.274 255 Q C 0.066 176.237 176.000 0.285 0.000 1.076 255 Q CA -0.331 55.524 55.803 0.086 0.000 0.872 255 Q CB 2.221 30.918 28.738 -0.067 0.000 1.383 255 Q HN 0.313 nan 8.270 nan 0.000 0.478 256 G N -0.669 108.298 108.800 0.278 0.000 3.267 256 G HA2 0.468 4.444 3.960 0.026 0.000 0.200 256 G HA3 0.468 4.444 3.960 0.026 0.000 0.200 256 G C -0.408 174.545 174.900 0.087 0.000 1.603 256 G CA -0.089 45.196 45.100 0.309 0.000 0.753 256 G HN 0.584 nan 8.290 nan 0.000 0.755 257 G N 1.613 110.497 108.800 0.140 0.000 2.403 257 G HA2 0.540 4.515 3.960 0.026 0.000 0.259 257 G HA3 0.540 4.515 3.960 0.026 0.000 0.259 257 G C -2.086 172.808 174.900 -0.011 0.000 1.244 257 G CA -0.533 44.565 45.100 -0.004 0.000 0.849 257 G HN 0.383 nan 8.290 nan 0.000 0.532 258 P HA 0.175 nan 4.420 nan 0.000 0.274 258 P C -0.266 177.019 177.300 -0.023 0.000 1.260 258 P CA -0.397 62.684 63.100 -0.032 0.000 0.793 258 P CB 1.024 32.653 31.700 -0.118 0.000 1.048 259 L N 1.353 122.572 121.223 -0.008 0.000 2.353 259 L HA 0.200 4.555 4.340 0.026 0.000 0.269 259 L C 1.637 178.428 176.870 -0.132 0.000 1.085 259 L CA -0.654 54.132 54.840 -0.090 0.000 0.938 259 L CB 0.319 42.242 42.059 -0.228 0.000 1.312 259 L HN 0.183 nan 8.230 nan 0.000 0.429 260 M N 0.744 120.337 119.600 -0.011 0.000 2.108 260 M HA -0.189 4.307 4.480 0.026 0.000 0.261 260 M C 2.260 178.562 176.300 0.004 0.000 1.066 260 M CA 1.968 57.263 55.300 -0.008 0.000 1.107 260 M CB -1.280 31.323 32.600 0.005 0.000 1.356 260 M HN 0.706 nan 8.290 nan 0.000 0.406 261 H N -1.453 117.575 119.070 -0.071 0.000 2.387 261 H HA -0.012 4.559 4.556 0.025 0.000 0.299 261 H C 1.843 177.133 175.328 -0.064 0.000 1.090 261 H CA 1.406 57.415 56.048 -0.064 0.000 1.332 261 H CB -0.890 28.832 29.762 -0.067 0.000 1.386 261 H HN 0.173 nan 8.280 nan 0.000 0.516 262 V N 0.928 120.500 119.914 -0.571 0.000 2.548 262 V HA -0.138 3.998 4.120 0.026 0.000 0.249 262 V C 2.450 178.415 176.094 -0.215 0.000 1.055 262 V CA 1.414 63.497 62.300 -0.362 0.000 1.065 262 V CB -0.442 31.141 31.823 -0.400 0.000 0.681 262 V HN 0.411 nan 8.190 nan 0.000 0.462 263 I N 0.745 121.210 120.570 -0.175 0.000 2.394 263 I HA -0.190 3.996 4.170 0.026 0.000 0.251 263 I C 2.611 178.656 176.117 -0.121 0.000 1.136 263 I CA 1.326 62.555 61.300 -0.119 0.000 1.425 263 I CB -0.434 37.526 38.000 -0.068 0.000 1.079 263 I HN 0.275 nan 8.210 nan 0.000 0.425 264 A N 0.609 123.373 122.820 -0.093 0.000 1.930 264 A HA -0.110 4.225 4.320 0.026 0.000 0.217 264 A C 2.519 180.030 177.584 -0.122 0.000 1.175 264 A CA 1.667 53.657 52.037 -0.079 0.000 0.627 264 A CB -0.701 18.280 19.000 -0.032 0.000 0.815 264 A HN 0.409 nan 8.150 nan 0.000 0.443 265 A N -0.001 122.736 122.820 -0.138 0.000 1.969 265 A HA -0.109 4.227 4.320 0.026 0.000 0.218 265 A C 2.068 179.490 177.584 -0.270 0.000 1.169 265 A CA 1.622 53.566 52.037 -0.157 0.000 0.635 265 A CB -0.358 18.569 19.000 -0.123 0.000 0.810 265 A HN 0.556 nan 8.150 nan 0.000 0.445 266 K N -0.029 120.152 120.400 -0.364 0.000 2.057 266 K HA -0.039 4.297 4.320 0.026 0.000 0.207 266 K C 2.319 178.276 176.600 -1.072 0.000 1.049 266 K CA 1.079 56.915 56.287 -0.752 0.000 0.931 266 K CB -0.367 31.753 32.500 -0.632 0.000 0.714 266 K HN 0.411 nan 8.250 nan 0.000 0.440 267 A N 1.338 123.843 122.820 -0.526 0.000 1.883 267 A HA -0.158 4.178 4.320 0.026 0.000 0.217 267 A C 2.444 179.903 177.584 -0.209 0.000 1.186 267 A CA 1.746 53.620 52.037 -0.271 0.000 0.624 267 A CB -0.829 18.109 19.000 -0.103 0.000 0.822 267 A HN 0.082 nan 8.150 nan 0.000 0.444 268 V N -0.218 119.580 119.914 -0.193 0.000 2.358 268 V HA -0.218 3.917 4.120 0.026 0.000 0.246 268 V C 3.041 179.055 176.094 -0.134 0.000 1.047 268 V CA 1.859 64.086 62.300 -0.122 0.000 1.035 268 V CB -1.356 30.412 31.823 -0.092 0.000 0.658 268 V HN 0.627 nan 8.190 nan 0.000 0.452 269 A N -0.141 122.546 122.820 -0.221 0.000 1.908 269 A HA -0.189 4.146 4.320 0.026 0.000 0.218 269 A C 2.133 179.677 177.584 -0.066 0.000 1.181 269 A CA 1.916 53.853 52.037 -0.167 0.000 0.627 269 A CB -0.771 18.105 19.000 -0.206 0.000 0.818 269 A HN 0.552 nan 8.150 nan 0.000 0.445 270 F N -0.042 119.840 119.950 -0.114 0.000 2.186 270 F HA -0.056 4.488 4.527 0.027 0.000 0.299 270 F C 2.715 178.419 175.800 -0.161 0.000 1.090 270 F CA 0.162 58.070 58.000 -0.154 0.000 1.307 270 F CB -0.583 38.358 39.000 -0.098 0.000 1.019 270 F HN 0.357 nan 8.300 nan 0.000 0.489 271 G N 0.512 109.344 108.800 0.054 0.000 2.491 271 G HA2 -0.270 3.705 3.960 0.026 0.000 0.218 271 G HA3 -0.270 3.705 3.960 0.026 0.000 0.218 271 G C 1.376 176.259 174.900 -0.027 0.000 1.180 271 G CA 1.068 46.171 45.100 0.005 0.000 0.774 271 G HN 0.342 nan 8.290 nan 0.000 0.562 272 E N 0.495 120.666 120.200 -0.048 0.000 2.077 272 E HA -0.046 4.319 4.350 0.026 0.000 0.193 272 E C 2.923 179.449 176.600 -0.124 0.000 0.989 272 E CA 0.797 57.169 56.400 -0.048 0.000 0.800 272 E CB -0.220 29.460 29.700 -0.035 0.000 0.746 272 E HN 0.418 nan 8.360 nan 0.000 0.452 273 A N 0.971 123.589 122.820 -0.336 0.000 1.933 273 A HA -0.163 4.173 4.320 0.026 0.000 0.218 273 A C 2.142 179.574 177.584 -0.253 0.000 1.175 273 A CA 1.081 52.715 52.037 -0.673 0.000 0.628 273 A CB -0.582 17.946 19.000 -0.786 0.000 0.814 273 A HN 0.145 nan 8.150 nan 0.000 0.444 274 L N -0.484 120.655 121.223 -0.139 0.000 2.275 274 L HA -0.123 4.232 4.340 0.026 0.000 0.215 274 L C 1.149 178.018 176.870 -0.002 0.000 1.119 274 L CA 0.445 55.241 54.840 -0.072 0.000 0.790 274 L CB -0.407 41.616 42.059 -0.059 0.000 0.919 274 L HN 0.466 nan 8.230 nan 0.000 0.443 275 Q N -0.024 119.793 119.800 0.028 0.000 2.340 275 Q HA -0.044 4.312 4.340 0.026 0.000 0.249 275 Q C 0.540 176.611 176.000 0.118 0.000 0.957 275 Q CA -0.500 55.342 55.803 0.065 0.000 0.882 275 Q CB 0.963 29.739 28.738 0.063 0.000 1.235 275 Q HN 0.033 nan 8.270 nan 0.000 0.439 276 D N 1.720 122.176 120.400 0.093 0.000 2.158 276 D HA -0.182 4.474 4.640 0.026 0.000 0.197 276 D C 1.000 177.370 176.300 0.116 0.000 0.995 276 D CA 1.539 55.596 54.000 0.094 0.000 0.846 276 D CB 0.033 40.871 40.800 0.063 0.000 0.941 276 D HN 0.634 nan 8.370 nan 0.000 0.456 277 D N -0.933 119.541 120.400 0.124 0.000 2.349 277 D HA -0.107 4.549 4.640 0.026 0.000 0.224 277 D C 1.761 178.164 176.300 0.171 0.000 1.029 277 D CA -0.088 53.984 54.000 0.121 0.000 0.879 277 D CB -0.926 39.931 40.800 0.095 0.000 0.906 277 D HN 0.230 nan 8.370 nan 0.000 0.528 278 F N 1.962 121.970 119.950 0.097 0.000 2.259 278 F HA -0.030 4.512 4.527 0.025 0.000 0.298 278 F C 1.831 177.740 175.800 0.182 0.000 1.088 278 F CA 0.892 58.983 58.000 0.151 0.000 1.358 278 F CB 0.202 39.261 39.000 0.098 0.000 1.040 278 F HN -0.214 nan 8.300 nan 0.000 0.505 279 K N 0.812 121.332 120.400 0.200 0.000 2.097 279 K HA -0.037 4.298 4.320 0.026 0.000 0.205 279 K C 2.286 178.888 176.600 0.003 0.000 1.050 279 K CA 1.182 57.527 56.287 0.097 0.000 0.938 279 K CB -1.401 31.165 32.500 0.109 0.000 0.718 279 K HN 0.343 nan 8.250 nan 0.000 0.442 280 A N 1.516 124.356 122.820 0.033 0.000 1.858 280 A HA -0.219 4.117 4.320 0.026 0.000 0.216 280 A C 2.285 179.858 177.584 -0.018 0.000 1.190 280 A CA 1.642 53.691 52.037 0.019 0.000 0.617 280 A CB -1.026 18.006 19.000 0.053 0.000 0.827 280 A HN 0.397 nan 8.150 nan 0.000 0.443 281 Y N 0.842 121.052 120.300 -0.149 0.000 2.114 281 Y HA -0.165 4.401 4.550 0.026 0.000 0.282 281 Y C 2.547 178.297 175.900 -0.250 0.000 1.165 281 Y CA 1.564 59.544 58.100 -0.199 0.000 1.148 281 Y CB -0.719 37.574 38.460 -0.278 0.000 0.972 281 Y HN 0.294 nan 8.280 nan 0.000 0.504 282 A N 0.687 123.136 122.820 -0.619 0.000 1.940 282 A HA -0.243 4.093 4.320 0.026 0.000 0.219 282 A C 2.360 179.726 177.584 -0.363 0.000 1.176 282 A CA 1.992 53.652 52.037 -0.630 0.000 0.631 282 A CB -0.864 17.921 19.000 -0.359 0.000 0.814 282 A HN 0.586 nan 8.150 nan 0.000 0.446 283 K N -0.474 119.798 120.400 -0.214 0.000 2.097 283 K HA -0.131 4.204 4.320 0.026 0.000 0.206 283 K C 2.232 178.755 176.600 -0.128 0.000 1.049 283 K CA 1.270 57.485 56.287 -0.120 0.000 0.933 283 K CB -0.157 32.308 32.500 -0.059 0.000 0.717 283 K HN 0.452 nan 8.250 nan 0.000 0.442 284 R N 0.130 120.531 120.500 -0.166 0.000 2.115 284 R HA -0.073 4.282 4.340 0.026 0.000 0.230 284 R C 2.248 178.458 176.300 -0.150 0.000 1.111 284 R CA 1.137 57.163 56.100 -0.122 0.000 0.976 284 R CB -0.211 30.043 30.300 -0.076 0.000 0.870 284 R HN 0.055 nan 8.270 nan 0.000 0.445 285 V N 0.484 120.224 119.914 -0.291 0.000 2.233 285 V HA -0.246 3.890 4.120 0.026 0.000 0.247 285 V C 2.378 178.416 176.094 -0.094 0.000 1.050 285 V CA 1.807 63.975 62.300 -0.220 0.000 1.010 285 V CB -0.538 31.091 31.823 -0.324 0.000 0.637 285 V HN 0.101 nan 8.190 nan 0.000 0.444 286 V N 0.392 120.254 119.914 -0.087 0.000 2.332 286 V HA -0.291 3.845 4.120 0.026 0.000 0.248 286 V C 2.320 178.400 176.094 -0.024 0.000 1.055 286 V CA 2.322 64.607 62.300 -0.026 0.000 1.038 286 V CB -0.767 31.050 31.823 -0.010 0.000 0.651 286 V HN 0.586 nan 8.190 nan 0.000 0.450 287 D N 0.004 120.383 120.400 -0.035 0.000 2.084 287 D HA -0.132 4.524 4.640 0.026 0.000 0.196 287 D C 2.079 178.372 176.300 -0.010 0.000 0.985 287 D CA 1.194 55.183 54.000 -0.019 0.000 0.826 287 D CB -0.522 40.267 40.800 -0.018 0.000 0.978 287 D HN 0.342 nan 8.370 nan 0.000 0.456 288 N N 0.786 119.479 118.700 -0.013 0.000 2.149 288 N HA -0.128 4.627 4.740 0.026 0.000 0.188 288 N C 1.674 177.184 175.510 0.002 0.000 1.019 288 N CA 1.271 54.324 53.050 0.005 0.000 0.857 288 N CB -0.351 38.146 38.487 0.016 0.000 0.997 288 N HN 0.146 nan 8.380 nan 0.000 0.426 289 A N 0.907 123.721 122.820 -0.010 0.000 1.873 289 A HA -0.124 4.211 4.320 0.026 0.000 0.215 289 A C 2.221 179.797 177.584 -0.014 0.000 1.186 289 A CA 1.487 53.514 52.037 -0.016 0.000 0.616 289 A CB -0.395 18.593 19.000 -0.019 0.000 0.823 289 A HN 0.131 nan 8.150 nan 0.000 0.442 290 K N -0.444 119.951 120.400 -0.009 0.000 2.020 290 K HA -0.175 4.161 4.320 0.026 0.000 0.212 290 K C 2.257 178.857 176.600 -0.000 0.000 1.050 290 K CA 1.946 58.229 56.287 -0.005 0.000 0.929 290 K CB -0.273 32.225 32.500 -0.003 0.000 0.714 290 K HN 0.394 nan 8.250 nan 0.000 0.443 291 R N 0.573 121.075 120.500 0.004 0.000 2.082 291 R HA -0.127 4.228 4.340 0.026 0.000 0.234 291 R C 2.046 178.354 176.300 0.013 0.000 1.136 291 R CA 1.463 57.569 56.100 0.010 0.000 0.935 291 R CB -0.989 29.318 30.300 0.013 0.000 0.842 291 R HN 0.177 nan 8.270 nan 0.000 0.430 292 L N 0.450 121.679 121.223 0.011 0.000 2.021 292 L HA -0.180 4.176 4.340 0.026 0.000 0.215 292 L C 2.158 179.030 176.870 0.003 0.000 1.074 292 L CA 2.382 57.227 54.840 0.008 0.000 0.760 292 L CB -1.213 40.845 42.059 -0.002 0.000 0.889 292 L HN 0.366 nan 8.230 nan 0.000 0.433 293 A N -1.631 121.187 122.820 -0.003 0.000 1.851 293 A HA -0.296 4.039 4.320 0.026 0.000 0.216 293 A C 2.543 180.142 177.584 0.025 0.000 1.195 293 A CA 2.497 54.534 52.037 0.000 0.000 0.622 293 A CB -1.425 17.570 19.000 -0.008 0.000 0.831 293 A HN 0.568 nan 8.150 nan 0.000 0.444 294 S N -0.347 115.366 115.700 0.022 0.000 2.370 294 S HA -0.096 4.390 4.470 0.026 0.000 0.226 294 S C 2.143 176.769 174.600 0.042 0.000 1.033 294 S CA 1.822 60.039 58.200 0.028 0.000 1.011 294 S CB -0.560 62.651 63.200 0.018 0.000 0.852 294 S HN 0.932 nan 8.310 nan 0.000 0.457 295 A N 1.267 124.112 122.820 0.042 0.000 1.933 295 A HA 0.097 4.433 4.320 0.026 0.000 0.218 295 A C 2.295 179.937 177.584 0.097 0.000 1.175 295 A CA 1.359 53.429 52.037 0.055 0.000 0.628 295 A CB -0.737 18.290 19.000 0.045 0.000 0.814 295 A HN 0.588 nan 8.150 nan 0.000 0.444 296 L N -1.046 120.240 121.223 0.105 0.000 2.093 296 L HA -0.210 4.146 4.340 0.026 0.000 0.208 296 L C 2.862 179.900 176.870 0.281 0.000 1.085 296 L CA 1.334 56.297 54.840 0.205 0.000 0.755 296 L CB -0.484 41.611 42.059 0.061 0.000 0.904 296 L HN 0.518 nan 8.230 nan 0.000 0.435 297 Q N -0.504 119.386 119.800 0.150 0.000 2.119 297 Q HA -0.213 4.143 4.340 0.026 0.000 0.201 297 Q C 2.001 178.044 176.000 0.072 0.000 0.972 297 Q CA 1.349 57.218 55.803 0.110 0.000 0.847 297 Q CB -0.163 28.614 28.738 0.065 0.000 0.903 297 Q HN 0.486 nan 8.270 nan 0.000 0.433 298 N N 0.573 119.312 118.700 0.066 0.000 2.223 298 N HA -0.167 4.588 4.740 0.026 0.000 0.185 298 N C 1.059 176.582 175.510 0.022 0.000 1.016 298 N CA 0.822 53.894 53.050 0.037 0.000 0.863 298 N CB 0.243 38.752 38.487 0.037 0.000 0.983 298 N HN 0.160 nan 8.380 nan 0.000 0.429 299 E N -0.063 120.172 120.200 0.059 0.000 2.511 299 E HA 0.021 4.387 4.350 0.026 0.000 0.196 299 E C 0.845 177.302 176.600 -0.238 0.000 1.066 299 E CA 0.445 56.834 56.400 -0.017 0.000 0.871 299 E CB -0.235 29.552 29.700 0.146 0.000 0.863 299 E HN 0.580 nan 8.360 nan 0.000 0.520 300 G N 0.782 109.484 108.800 -0.163 0.000 2.141 300 G HA2 -0.254 3.722 3.960 0.026 0.000 0.231 300 G HA3 -0.254 3.722 3.960 0.026 0.000 0.231 300 G C -0.029 174.719 174.900 -0.253 0.000 0.984 300 G CA -0.215 44.754 45.100 -0.219 0.000 0.660 300 G HN 0.148 nan 8.290 nan 0.000 0.525 301 F N 1.054 121.007 119.950 0.005 0.000 2.371 301 F HA 0.636 5.180 4.527 0.027 0.000 0.329 301 F C 1.055 176.859 175.800 0.007 0.000 1.107 301 F CA -0.115 57.888 58.000 0.005 0.000 1.137 301 F CB 1.537 40.539 39.000 0.004 0.000 1.214 301 F HN -0.072 nan 8.300 nan 0.000 0.536 302 T N 4.157 118.848 114.554 0.229 0.000 2.771 302 T HA 0.523 4.888 4.350 0.026 0.000 0.281 302 T C -0.368 174.398 174.700 0.109 0.000 0.982 302 T CA -0.573 61.605 62.100 0.131 0.000 0.978 302 T CB 0.444 69.370 68.868 0.097 0.000 0.930 302 T HN 0.250 nan 8.240 nan 0.000 0.447 303 L N 3.650 124.923 121.223 0.084 0.000 2.307 303 L HA 0.524 4.880 4.340 0.026 0.000 0.284 303 L C 0.627 177.541 176.870 0.073 0.000 1.023 303 L CA -1.265 53.606 54.840 0.052 0.000 0.810 303 L CB 1.607 43.685 42.059 0.032 0.000 1.231 303 L HN 0.439 nan 8.230 nan 0.000 0.423 304 V N 3.131 123.071 119.914 0.043 0.000 2.540 304 V HA 0.139 4.274 4.120 0.026 0.000 0.297 304 V C 1.067 177.250 176.094 0.148 0.000 1.024 304 V CA 0.959 63.316 62.300 0.095 0.000 1.105 304 V CB 0.870 32.611 31.823 -0.136 0.000 0.938 304 V HN 1.186 nan 8.190 nan 0.000 0.482 305 S N 2.514 118.405 115.700 0.318 0.000 2.659 305 S HA -0.113 4.373 4.470 0.026 0.000 0.264 305 S C 1.971 176.596 174.600 0.041 0.000 1.310 305 S CA 1.405 59.685 58.200 0.133 0.000 1.262 305 S CB -2.053 61.167 63.200 0.034 0.000 1.548 305 S HN 3.105 nan 8.310 nan 0.000 0.657 306 G N -0.282 108.549 108.800 0.051 0.000 2.176 306 G HA2 0.317 4.292 3.960 0.026 0.000 0.253 306 G HA3 0.317 4.292 3.960 0.026 0.000 0.253 306 G C 0.943 175.849 174.900 0.010 0.000 0.979 306 G CA 0.667 45.781 45.100 0.023 0.000 0.641 306 G HN 2.542 nan 8.290 nan 0.000 0.530 307 G N -2.510 106.288 108.800 -0.003 0.000 2.513 307 G HA2 0.667 4.643 3.960 0.026 0.000 0.182 307 G HA3 0.667 4.643 3.960 0.026 0.000 0.182 307 G C -0.599 174.276 174.900 -0.042 0.000 1.190 307 G CA 1.049 46.139 45.100 -0.016 0.000 0.987 307 G HN 1.799 nan 8.290 nan 0.000 0.479 308 T N -0.978 113.551 114.554 -0.042 0.000 2.885 308 T HA 0.558 4.924 4.350 0.026 0.000 0.322 308 T C -1.330 173.352 174.700 -0.030 0.000 1.387 308 T CA -0.005 62.061 62.100 -0.056 0.000 1.041 308 T CB 1.904 70.735 68.868 -0.063 0.000 1.287 308 T HN 0.286 nan 8.240 nan 0.000 0.491 309 D N 1.880 122.269 120.400 -0.020 0.000 2.433 309 D HA 0.211 4.867 4.640 0.026 0.000 0.211 309 D C 0.474 176.820 176.300 0.077 0.000 1.114 309 D CA 0.147 54.158 54.000 0.018 0.000 0.837 309 D CB 0.526 41.334 40.800 0.014 0.000 0.984 309 D HN 0.673 nan 8.370 nan 0.000 0.505 310 N N -0.901 117.850 118.700 0.084 0.000 3.566 310 N HA -0.016 4.740 4.740 0.026 0.000 0.354 310 N C 0.944 176.537 175.510 0.139 0.000 1.632 310 N CA -0.431 52.723 53.050 0.173 0.000 0.690 310 N CB -0.085 38.580 38.487 0.298 0.000 2.273 310 N HN -0.186 nan 8.380 nan 0.000 0.643 311 H N -0.872 118.210 119.070 0.019 0.000 2.548 311 H HA 0.274 4.846 4.556 0.026 0.000 0.268 311 H C 0.051 175.381 175.328 0.003 0.000 0.975 311 H CA 0.141 56.190 56.048 0.002 0.000 1.195 311 H CB -0.472 29.300 29.762 0.018 0.000 1.397 311 H HN 0.524 nan 8.280 nan 0.000 0.572 312 L N -0.193 120.660 121.223 -0.617 0.000 2.309 312 L HA 0.634 4.989 4.340 0.026 0.000 0.261 312 L C -0.784 175.939 176.870 -0.244 0.000 1.021 312 L CA -1.470 53.082 54.840 -0.481 0.000 0.823 312 L CB 2.567 44.234 42.059 -0.654 0.000 1.366 312 L HN 0.079 nan 8.230 nan 0.000 0.423 313 L N 0.566 121.680 121.223 -0.181 0.000 2.393 313 L HA 0.678 5.033 4.340 0.026 0.000 0.260 313 L C -1.924 174.877 176.870 -0.114 0.000 1.002 313 L CA -0.805 53.959 54.840 -0.126 0.000 0.818 313 L CB 2.392 44.393 42.059 -0.096 0.000 1.369 313 L HN 0.788 nan 8.230 nan 0.000 0.412 314 L N 3.452 124.621 121.223 -0.091 0.000 2.342 314 L HA 0.472 4.828 4.340 0.026 0.000 0.276 314 L C -0.839 175.995 176.870 -0.061 0.000 0.997 314 L CA -0.658 54.133 54.840 -0.080 0.000 0.838 314 L CB 1.911 43.923 42.059 -0.078 0.000 1.224 314 L HN 0.526 nan 8.230 nan 0.000 0.416 315 V N 3.134 123.006 119.914 -0.070 0.000 2.432 315 V HA 0.096 4.232 4.120 0.026 0.000 0.271 315 V C 0.126 176.211 176.094 -0.014 0.000 1.046 315 V CA -0.482 61.789 62.300 -0.049 0.000 0.945 315 V CB 1.331 33.080 31.823 -0.124 0.000 0.992 315 V HN 0.595 nan 8.190 nan 0.000 0.471 316 D N 4.871 125.284 120.400 0.022 0.000 2.374 316 D HA 0.158 4.814 4.640 0.026 0.000 0.240 316 D C 0.837 177.178 176.300 0.068 0.000 1.229 316 D CA 0.007 54.025 54.000 0.029 0.000 0.895 316 D CB 1.001 41.821 40.800 0.033 0.000 1.046 316 D HN 0.462 nan 8.370 nan 0.000 0.498 317 L N 3.505 124.763 121.223 0.059 0.000 2.291 317 L HA -0.019 4.336 4.340 0.026 0.000 0.214 317 L C 2.475 179.394 176.870 0.081 0.000 1.120 317 L CA 0.174 55.069 54.840 0.091 0.000 0.799 317 L CB -0.087 42.011 42.059 0.065 0.000 0.925 317 L HN 0.356 nan 8.230 nan 0.000 0.446 318 R N 0.602 121.137 120.500 0.057 0.000 2.189 318 R HA -0.226 4.130 4.340 0.026 0.000 0.252 318 R C -0.675 175.650 176.300 0.043 0.000 1.134 318 R CA 2.157 58.285 56.100 0.046 0.000 0.954 318 R CB -1.925 28.399 30.300 0.039 0.000 0.890 318 R HN 0.363 nan 8.270 nan 0.000 0.443 319 P HA -0.096 nan 4.420 nan 0.000 0.236 319 P C -0.120 177.187 177.300 0.011 0.000 1.172 319 P CA 1.209 64.324 63.100 0.024 0.000 0.759 319 P CB 0.179 31.891 31.700 0.021 0.000 0.843 320 Q N -0.679 119.140 119.800 0.031 0.000 2.141 320 Q HA 0.155 4.511 4.340 0.026 0.000 0.248 320 Q C 0.271 176.291 176.000 0.034 0.000 0.834 320 Q CA -0.154 55.664 55.803 0.025 0.000 1.096 320 Q CB -0.117 28.660 28.738 0.066 0.000 1.189 320 Q HN 0.111 nan 8.270 nan 0.000 0.471 321 Q N 0.107 119.923 119.800 0.028 0.000 2.329 321 Q HA -0.250 4.106 4.340 0.026 0.000 0.325 321 Q C -0.513 175.507 176.000 0.033 0.000 1.228 321 Q CA 0.790 56.609 55.803 0.027 0.000 0.979 321 Q CB -1.538 27.211 28.738 0.018 0.000 1.246 321 Q HN 0.461 nan 8.270 nan 0.000 0.470 322 L N -0.097 121.152 121.223 0.044 0.000 2.352 322 L HA 0.463 4.819 4.340 0.026 0.000 0.269 322 L C 0.843 177.738 176.870 0.041 0.000 1.034 322 L CA -0.508 54.361 54.840 0.047 0.000 0.806 322 L CB 1.697 43.796 42.059 0.067 0.000 1.244 322 L HN 0.104 nan 8.230 nan 0.000 0.447 323 T N -2.218 112.358 114.554 0.036 0.000 2.950 323 T HA 0.352 4.718 4.350 0.026 0.000 0.288 323 T C 0.926 175.642 174.700 0.027 0.000 1.035 323 T CA -0.240 61.879 62.100 0.031 0.000 1.028 323 T CB 1.673 70.560 68.868 0.031 0.000 1.109 323 T HN 0.651 nan 8.240 nan 0.000 0.514 324 G N -0.072 108.739 108.800 0.019 0.000 2.422 324 G HA2 -0.134 3.842 3.960 0.026 0.000 0.218 324 G HA3 -0.134 3.842 3.960 0.026 0.000 0.218 324 G C 1.317 176.224 174.900 0.011 0.000 1.140 324 G CA 0.525 45.629 45.100 0.007 0.000 0.775 324 G HN 0.773 nan 8.290 nan 0.000 0.545 325 K N -0.226 120.187 120.400 0.022 0.000 2.026 325 K HA -0.084 4.252 4.320 0.026 0.000 0.208 325 K C 2.618 179.233 176.600 0.025 0.000 1.048 325 K CA 1.680 57.983 56.287 0.028 0.000 0.929 325 K CB -0.181 32.344 32.500 0.042 0.000 0.713 325 K HN 0.253 nan 8.250 nan 0.000 0.439 326 T N 0.676 115.246 114.554 0.027 0.000 2.812 326 T HA -0.073 4.293 4.350 0.026 0.000 0.264 326 T C 1.801 176.516 174.700 0.025 0.000 1.042 326 T CA 1.091 63.207 62.100 0.027 0.000 1.140 326 T CB -0.271 68.614 68.868 0.029 0.000 0.870 326 T HN 0.377 nan 8.240 nan 0.000 0.445 327 A N 1.671 124.506 122.820 0.025 0.000 1.884 327 A HA -0.264 4.072 4.320 0.026 0.000 0.219 327 A C 2.174 179.764 177.584 0.010 0.000 1.197 327 A CA 2.378 54.427 52.037 0.020 0.000 0.637 327 A CB -0.907 18.100 19.000 0.012 0.000 0.827 327 A HN 0.637 nan 8.150 nan 0.000 0.450 328 E N -0.056 120.147 120.200 0.005 0.000 2.049 328 E HA -0.296 4.069 4.350 0.026 0.000 0.198 328 E C 2.139 178.746 176.600 0.011 0.000 1.007 328 E CA 1.908 58.310 56.400 0.003 0.000 0.809 328 E CB -0.207 29.496 29.700 0.004 0.000 0.749 328 E HN 0.641 nan 8.360 nan 0.000 0.450 329 K N 0.490 120.899 120.400 0.016 0.000 2.001 329 K HA -0.188 4.147 4.320 0.026 0.000 0.214 329 K C 2.092 178.703 176.600 0.019 0.000 1.050 329 K CA 1.970 58.268 56.287 0.019 0.000 0.934 329 K CB -0.536 31.977 32.500 0.021 0.000 0.718 329 K HN 0.151 nan 8.250 nan 0.000 0.443 330 V N 1.985 121.912 119.914 0.021 0.000 2.282 330 V HA -0.258 3.877 4.120 0.026 0.000 0.249 330 V C 2.461 178.569 176.094 0.023 0.000 1.057 330 V CA 1.950 64.265 62.300 0.024 0.000 1.032 330 V CB -0.388 31.453 31.823 0.030 0.000 0.645 330 V HN 0.335 nan 8.190 nan 0.000 0.447 331 L N -0.294 120.940 121.223 0.019 0.000 2.465 331 L HA -0.065 4.291 4.340 0.026 0.000 0.224 331 L C 1.990 178.871 176.870 0.019 0.000 1.145 331 L CA 0.857 55.707 54.840 0.018 0.000 0.834 331 L CB -0.454 41.609 42.059 0.006 0.000 0.944 331 L HN 0.311 nan 8.230 nan 0.000 0.451 332 D N 0.174 120.585 120.400 0.019 0.000 2.317 332 D HA -0.116 4.540 4.640 0.026 0.000 0.211 332 D C 1.952 178.265 176.300 0.022 0.000 0.966 332 D CA 0.757 54.769 54.000 0.020 0.000 0.876 332 D CB 0.337 41.148 40.800 0.018 0.000 0.927 332 D HN 0.364 nan 8.370 nan 0.000 0.519 333 E N -0.459 119.754 120.200 0.022 0.000 2.122 333 E HA -0.069 4.297 4.350 0.026 0.000 0.190 333 E C 2.073 178.687 176.600 0.025 0.000 0.977 333 E CA 0.867 57.280 56.400 0.022 0.000 0.820 333 E CB 0.274 29.986 29.700 0.021 0.000 0.770 333 E HN 0.258 nan 8.360 nan 0.000 0.462 334 V N -2.418 117.512 119.914 0.027 0.000 3.623 334 V HA 0.367 4.502 4.120 0.026 0.000 0.271 334 V C 1.283 177.398 176.094 0.035 0.000 1.248 334 V CA 0.679 62.997 62.300 0.030 0.000 1.156 334 V CB -0.115 31.727 31.823 0.032 0.000 0.870 334 V HN 0.327 nan 8.190 nan 0.000 0.453 335 G N 0.650 109.470 108.800 0.034 0.000 2.148 335 G HA2 -0.180 3.796 3.960 0.026 0.000 0.203 335 G HA3 -0.180 3.796 3.960 0.026 0.000 0.203 335 G C -0.165 174.760 174.900 0.041 0.000 0.993 335 G CA 0.048 45.171 45.100 0.039 0.000 0.661 335 G HN 0.589 nan 8.290 nan 0.000 0.518 336 I N 2.181 122.771 120.570 0.033 0.000 2.312 336 I HA 0.377 4.563 4.170 0.026 0.000 0.290 336 I C 0.022 176.150 176.117 0.018 0.000 1.008 336 I CA -0.445 60.872 61.300 0.028 0.000 1.226 336 I CB 1.675 39.688 38.000 0.021 0.000 1.371 336 I HN -0.012 nan 8.210 nan 0.000 0.468 337 T N 6.661 121.226 114.554 0.018 0.000 2.770 337 T HA 0.496 4.862 4.350 0.026 0.000 0.297 337 T C 0.182 174.882 174.700 -0.001 0.000 0.997 337 T CA -0.512 61.595 62.100 0.012 0.000 0.949 337 T CB 1.063 69.945 68.868 0.022 0.000 0.941 337 T HN 0.457 nan 8.240 nan 0.000 0.457 338 V N 1.048 120.958 119.914 -0.007 0.000 3.165 338 V HA 0.805 4.941 4.120 0.026 0.000 0.307 338 V C -0.992 175.095 176.094 -0.013 0.000 1.281 338 V CA -1.324 60.965 62.300 -0.018 0.000 1.056 338 V CB 2.171 33.974 31.823 -0.034 0.000 1.178 338 V HN 0.908 nan 8.190 nan 0.000 0.475 339 N N -0.425 118.263 118.700 -0.020 0.000 2.406 339 N HA 0.281 5.037 4.740 0.026 0.000 0.283 339 N C -1.101 174.393 175.510 -0.027 0.000 1.074 339 N CA -0.808 52.232 53.050 -0.017 0.000 0.916 339 N CB 2.484 40.965 38.487 -0.009 0.000 1.639 339 N HN 0.978 nan 8.380 nan 0.000 0.485 340 K N 1.594 121.980 120.400 -0.023 0.000 2.469 340 K HA 0.064 4.400 4.320 0.026 0.000 0.274 340 K C -0.865 175.709 176.600 -0.042 0.000 0.983 340 K CA 0.003 56.273 56.287 -0.027 0.000 0.974 340 K CB 0.402 32.892 32.500 -0.016 0.000 0.913 340 K HN 0.705 nan 8.250 nan 0.000 0.493 341 N N 0.604 119.276 118.700 -0.046 0.000 2.406 341 N HA 0.055 4.811 4.740 0.026 0.000 0.283 341 N C -1.324 174.152 175.510 -0.056 0.000 1.074 341 N CA -0.546 52.470 53.050 -0.058 0.000 0.916 341 N CB 1.964 40.416 38.487 -0.058 0.000 1.639 341 N HN 0.814 nan 8.380 nan 0.000 0.485 342 T N 1.643 116.158 114.554 -0.064 0.000 2.791 342 T HA 0.291 4.657 4.350 0.026 0.000 0.323 342 T C 0.453 175.116 174.700 -0.061 0.000 1.082 342 T CA -0.155 61.911 62.100 -0.056 0.000 1.084 342 T CB 0.000 68.831 68.868 -0.061 0.000 0.992 342 T HN 0.414 nan 8.240 nan 0.000 0.547 343 I N -0.828 119.704 120.570 -0.063 0.000 2.846 343 I HA 0.671 4.857 4.170 0.026 0.000 0.307 343 I C -2.879 173.162 176.117 -0.127 0.000 1.053 343 I CA -3.682 57.559 61.300 -0.099 0.000 1.050 343 I CB 1.915 39.859 38.000 -0.092 0.000 1.239 343 I HN 0.366 nan 8.210 nan 0.000 0.439 344 P HA -0.021 nan 4.420 nan 0.000 0.263 344 P C -1.085 176.136 177.300 -0.132 0.000 1.175 344 P CA 0.738 63.621 63.100 -0.362 0.000 0.761 344 P CB -0.209 31.223 31.700 -0.447 0.000 0.794 345 Y N -0.892 119.333 120.300 -0.125 0.000 3.491 345 Y HA -0.285 4.281 4.550 0.026 0.000 0.215 345 Y C 0.959 176.850 175.900 -0.014 0.000 1.219 345 Y CA 0.548 58.639 58.100 -0.014 0.000 1.485 345 Y CB -2.281 36.170 38.460 -0.015 0.000 1.450 345 Y HN 0.402 nan 8.280 nan 0.000 0.603 346 D N 1.450 121.881 120.400 0.051 0.000 2.493 346 D HA -0.007 4.649 4.640 0.026 0.000 0.240 346 D C -1.114 175.221 176.300 0.058 0.000 1.142 346 D CA -1.072 52.950 54.000 0.037 0.000 0.872 346 D CB 1.219 42.021 40.800 0.004 0.000 1.173 346 D HN 0.107 nan 8.370 nan 0.000 0.467 347 P HA -0.004 nan 4.420 nan 0.000 0.226 347 P C -0.068 177.259 177.300 0.045 0.000 1.153 347 P CA 0.862 63.995 63.100 0.055 0.000 0.777 347 P CB 0.447 32.175 31.700 0.047 0.000 0.794 348 E N -0.873 119.350 120.200 0.039 0.000 2.390 348 E HA 0.421 4.786 4.350 0.026 0.000 0.249 348 E C 0.054 176.678 176.600 0.040 0.000 0.981 348 E CA -0.837 55.587 56.400 0.040 0.000 0.860 348 E CB 1.072 30.795 29.700 0.039 0.000 1.278 348 E HN -0.094 nan 8.360 nan 0.000 0.416 349 S N 0.125 115.858 115.700 0.056 0.000 2.730 349 S HA 0.334 4.820 4.470 0.026 0.000 0.284 349 S C -2.189 172.444 174.600 0.056 0.000 1.153 349 S CA -1.295 56.945 58.200 0.068 0.000 0.995 349 S CB 1.161 64.433 63.200 0.120 0.000 1.058 349 S HN 0.287 nan 8.310 nan 0.000 0.552 350 P HA 0.251 nan 4.420 nan 0.000 0.254 350 P C -0.589 176.570 177.300 -0.235 0.000 1.631 350 P CA 0.229 63.262 63.100 -0.111 0.000 0.861 350 P CB -0.818 30.767 31.700 -0.191 0.000 1.663 351 F N -1.815 118.126 119.950 -0.017 0.000 2.912 351 F HA 0.074 4.615 4.527 0.025 0.000 0.357 351 F C 1.765 177.560 175.800 -0.008 0.000 1.003 351 F CA 0.138 58.130 58.000 -0.013 0.000 1.132 351 F CB 0.751 39.743 39.000 -0.012 0.000 1.055 351 F HN -0.270 nan 8.300 nan 0.000 0.572 352 V N -1.524 118.485 119.914 0.157 0.000 3.054 352 V HA 0.134 4.270 4.120 0.026 0.000 0.227 352 V C 0.666 176.788 176.094 0.048 0.000 1.252 352 V CA 0.815 63.170 62.300 0.091 0.000 1.279 352 V CB 0.069 31.939 31.823 0.078 0.000 1.118 352 V HN 0.355 nan 8.190 nan 0.000 0.504 353 T N -0.118 114.459 114.554 0.037 0.000 0.541 353 T HA -0.262 4.104 4.350 0.026 0.000 0.774 353 T C 0.290 174.998 174.700 0.014 0.000 0.992 353 T CA 0.618 62.726 62.100 0.013 0.000 4.077 353 T CB -1.277 67.582 68.868 -0.014 0.000 2.303 353 T HN 0.371 nan 8.240 nan 0.000 0.398 354 S N 1.766 117.470 115.700 0.006 0.000 2.583 354 S HA 0.587 5.073 4.470 0.026 0.000 0.239 354 S C 0.795 175.396 174.600 0.003 0.000 0.966 354 S CA 0.023 58.229 58.200 0.011 0.000 0.973 354 S CB 0.147 63.354 63.200 0.013 0.000 0.794 354 S HN 1.272 nan 8.310 nan 0.000 0.463 355 G N 1.350 110.144 108.800 -0.009 0.000 2.559 355 G HA2 0.602 4.578 3.960 0.026 0.000 0.291 355 G HA3 0.602 4.578 3.960 0.026 0.000 0.291 355 G C -1.639 173.241 174.900 -0.033 0.000 1.424 355 G CA -0.895 44.193 45.100 -0.020 0.000 0.786 355 G HN 0.289 nan 8.290 nan 0.000 0.485 356 I N -2.012 118.527 120.570 -0.051 0.000 2.569 356 I HA 0.809 4.994 4.170 0.026 0.000 0.296 356 I C -0.383 175.689 176.117 -0.075 0.000 1.028 356 I CA -1.201 60.062 61.300 -0.062 0.000 1.082 356 I CB 2.486 40.442 38.000 -0.074 0.000 1.264 356 I HN 0.491 nan 8.210 nan 0.000 0.429 357 R N 5.131 125.590 120.500 -0.068 0.000 2.393 357 R HA 0.801 5.157 4.340 0.026 0.000 0.310 357 R C -1.613 174.641 176.300 -0.076 0.000 0.968 357 R CA -0.557 55.496 56.100 -0.077 0.000 0.867 357 R CB 1.484 31.742 30.300 -0.070 0.000 1.124 357 R HN 0.804 nan 8.270 nan 0.000 0.450 358 I N 1.832 122.344 120.570 -0.096 0.000 2.730 358 I HA 0.574 4.760 4.170 0.026 0.000 0.298 358 I C -0.188 175.866 176.117 -0.105 0.000 1.089 358 I CA -0.594 60.654 61.300 -0.087 0.000 1.041 358 I CB 2.661 40.604 38.000 -0.095 0.000 1.235 358 I HN 0.786 nan 8.210 nan 0.000 0.423 359 G N 0.567 109.322 108.800 -0.075 0.000 2.718 359 G HA2 0.476 4.451 3.960 0.026 0.000 0.295 359 G HA3 0.476 4.451 3.960 0.026 0.000 0.295 359 G C -0.169 174.715 174.900 -0.027 0.000 1.421 359 G CA -0.094 44.961 45.100 -0.074 0.000 0.902 359 G HN 0.574 nan 8.290 nan 0.000 0.501 360 T N -1.970 112.581 114.554 -0.005 0.000 3.054 360 T HA 0.410 4.776 4.350 0.026 0.000 0.255 360 T C 2.113 176.818 174.700 0.010 0.000 1.035 360 T CA 1.312 63.412 62.100 0.001 0.000 0.941 360 T CB 0.654 69.523 68.868 0.001 0.000 1.026 360 T HN 0.877 nan 8.240 nan 0.000 0.533 361 A N 2.002 124.849 122.820 0.045 0.000 1.883 361 A HA 0.227 4.563 4.320 0.026 0.000 0.217 361 A C 2.744 180.366 177.584 0.064 0.000 1.186 361 A CA 1.901 53.986 52.037 0.081 0.000 0.624 361 A CB -1.445 17.630 19.000 0.124 0.000 0.822 361 A HN 0.759 nan 8.150 nan 0.000 0.444 362 A N -0.161 122.596 122.820 -0.104 0.000 1.858 362 A HA -0.020 4.316 4.320 0.026 0.000 0.216 362 A C 2.377 179.919 177.584 -0.069 0.000 1.190 362 A CA 2.598 54.439 52.037 -0.326 0.000 0.617 362 A CB -1.383 17.226 19.000 -0.651 0.000 0.827 362 A HN 1.171 nan 8.150 nan 0.000 0.443 363 V N -2.429 117.426 119.914 -0.099 0.000 2.343 363 V HA -0.184 3.952 4.120 0.026 0.000 0.247 363 V C 2.203 178.244 176.094 -0.088 0.000 1.051 363 V CA 2.674 64.820 62.300 -0.257 0.000 1.036 363 V CB -2.000 29.605 31.823 -0.365 0.000 0.654 363 V HN 0.431 nan 8.190 nan 0.000 0.451 364 T N 0.681 115.268 114.554 0.055 0.000 2.720 364 T HA -0.193 4.173 4.350 0.026 0.000 0.268 364 T C 1.937 176.801 174.700 0.273 0.000 1.037 364 T CA 2.410 64.601 62.100 0.151 0.000 1.144 364 T CB -0.733 68.174 68.868 0.065 0.000 0.864 364 T HN 0.670 nan 8.240 nan 0.000 0.444 365 T N 2.192 116.937 114.554 0.319 0.000 2.788 365 T HA -0.122 4.244 4.350 0.026 0.000 0.268 365 T C 1.832 176.640 174.700 0.179 0.000 1.044 365 T CA 1.155 63.393 62.100 0.229 0.000 1.139 365 T CB -0.225 68.744 68.868 0.168 0.000 0.867 365 T HN 0.589 nan 8.240 nan 0.000 0.454 366 R N 1.055 121.651 120.500 0.160 0.000 2.325 366 R HA 0.318 4.674 4.340 0.026 0.000 0.214 366 R C 1.424 177.801 176.300 0.128 0.000 0.961 366 R CA 0.671 56.807 56.100 0.060 0.000 1.086 366 R CB -0.232 30.012 30.300 -0.094 0.000 1.037 366 R HN 0.351 nan 8.270 nan 0.000 0.493 367 G N 0.455 109.368 108.800 0.188 0.000 2.175 367 G HA2 -0.263 3.713 3.960 0.026 0.000 0.244 367 G HA3 -0.263 3.713 3.960 0.026 0.000 0.244 367 G C -0.015 175.100 174.900 0.358 0.000 0.982 367 G CA -0.306 44.938 45.100 0.240 0.000 0.641 367 G HN 0.343 nan 8.290 nan 0.000 0.527 368 F N 1.022 121.006 119.950 0.057 0.000 2.471 368 F HA 0.463 5.006 4.527 0.027 0.000 0.353 368 F C 1.501 177.320 175.800 0.032 0.000 1.113 368 F CA 0.051 58.074 58.000 0.038 0.000 1.262 368 F CB 1.096 40.118 39.000 0.038 0.000 1.146 368 F HN 0.210 nan 8.300 nan 0.000 0.578 369 G N 2.089 110.978 108.800 0.149 0.000 3.212 369 G HA2 0.388 4.364 3.960 0.026 0.000 0.188 369 G HA3 0.388 4.364 3.960 0.026 0.000 0.188 369 G C 0.626 175.559 174.900 0.056 0.000 1.254 369 G CA -0.769 44.383 45.100 0.086 0.000 0.957 369 G HN 0.556 nan 8.290 nan 0.000 0.596 370 L N -0.164 121.077 121.223 0.030 0.000 1.989 370 L HA -0.077 4.278 4.340 0.026 0.000 0.211 370 L C 2.834 179.710 176.870 0.008 0.000 1.071 370 L CA 1.811 56.663 54.840 0.019 0.000 0.749 370 L CB -0.591 41.475 42.059 0.012 0.000 0.890 370 L HN 0.507 nan 8.230 nan 0.000 0.431 371 E N 0.247 120.443 120.200 -0.007 0.000 2.204 371 E HA -0.200 4.166 4.350 0.026 0.000 0.195 371 E C 1.907 178.480 176.600 -0.044 0.000 0.990 371 E CA 0.987 57.374 56.400 -0.022 0.000 0.821 371 E CB -0.170 29.512 29.700 -0.029 0.000 0.750 371 E HN 0.464 nan 8.360 nan 0.000 0.477 372 E N -0.259 119.899 120.200 -0.069 0.000 2.371 372 E HA -0.003 4.362 4.350 0.026 0.000 0.194 372 E C 1.479 178.067 176.600 -0.020 0.000 1.012 372 E CA 0.534 56.853 56.400 -0.135 0.000 0.860 372 E CB 0.034 29.516 29.700 -0.363 0.000 0.811 372 E HN 0.160 nan 8.360 nan 0.000 0.502 373 M N 0.640 120.260 119.600 0.033 0.000 2.236 373 M HA -0.054 4.442 4.480 0.026 0.000 0.266 373 M C 1.044 177.366 176.300 0.036 0.000 1.070 373 M CA 1.193 56.529 55.300 0.059 0.000 1.137 373 M CB -0.588 32.044 32.600 0.053 0.000 1.378 373 M HN 0.013 nan 8.290 nan 0.000 0.426 374 D N 0.284 120.696 120.400 0.020 0.000 2.104 374 D HA -0.196 4.460 4.640 0.026 0.000 0.194 374 D C 1.950 178.263 176.300 0.020 0.000 0.994 374 D CA 1.391 55.402 54.000 0.019 0.000 0.830 374 D CB -0.192 40.614 40.800 0.009 0.000 0.959 374 D HN 0.357 nan 8.370 nan 0.000 0.452 375 E N 0.532 120.734 120.200 0.004 0.000 2.110 375 E HA -0.103 4.263 4.350 0.026 0.000 0.193 375 E C 2.110 178.724 176.600 0.025 0.000 0.988 375 E CA 0.661 57.063 56.400 0.004 0.000 0.804 375 E CB -0.345 29.338 29.700 -0.028 0.000 0.745 375 E HN 0.296 nan 8.360 nan 0.000 0.458 376 I N 0.465 121.058 120.570 0.039 0.000 2.179 376 I HA -0.290 3.896 4.170 0.026 0.000 0.242 376 I C 2.410 178.552 176.117 0.042 0.000 1.088 376 I CA 1.182 62.516 61.300 0.057 0.000 1.357 376 I CB -0.449 37.603 38.000 0.088 0.000 1.051 376 I HN 0.221 nan 8.210 nan 0.000 0.409 377 A N 0.726 123.571 122.820 0.041 0.000 1.902 377 A HA -0.192 4.143 4.320 0.026 0.000 0.217 377 A C 2.561 180.205 177.584 0.100 0.000 1.181 377 A CA 1.929 53.999 52.037 0.055 0.000 0.623 377 A CB -0.937 18.103 19.000 0.067 0.000 0.818 377 A HN 0.437 nan 8.150 nan 0.000 0.443 378 A N 0.213 123.079 122.820 0.077 0.000 1.873 378 A HA -0.169 4.166 4.320 0.026 0.000 0.218 378 A C 2.120 179.751 177.584 0.079 0.000 1.193 378 A CA 1.747 53.829 52.037 0.075 0.000 0.629 378 A CB -0.738 18.288 19.000 0.044 0.000 0.826 378 A HN 0.532 nan 8.150 nan 0.000 0.447 379 I N -0.356 120.251 120.570 0.062 0.000 2.286 379 I HA -0.250 3.936 4.170 0.026 0.000 0.248 379 I C 2.231 178.391 176.117 0.073 0.000 1.115 379 I CA 1.248 62.583 61.300 0.058 0.000 1.392 379 I CB -0.378 37.649 38.000 0.046 0.000 1.065 379 I HN 0.311 nan 8.210 nan 0.000 0.418 380 I N 0.792 121.405 120.570 0.072 0.000 2.315 380 I HA -0.171 4.014 4.170 0.026 0.000 0.248 380 I C 2.668 178.914 176.117 0.216 0.000 1.117 380 I CA 1.413 62.752 61.300 0.065 0.000 1.404 380 I CB -0.848 37.111 38.000 -0.068 0.000 1.071 380 I HN 0.263 nan 8.210 nan 0.000 0.419 381 G N 1.436 110.417 108.800 0.302 0.000 2.414 381 G HA2 -0.265 3.711 3.960 0.026 0.000 0.215 381 G HA3 -0.265 3.711 3.960 0.026 0.000 0.215 381 G C 1.660 176.654 174.900 0.156 0.000 1.188 381 G CA 0.714 46.010 45.100 0.327 0.000 0.783 381 G HN 0.301 nan 8.290 nan 0.000 0.537 382 L N 0.886 122.171 121.223 0.104 0.000 2.043 382 L HA -0.105 4.251 4.340 0.026 0.000 0.212 382 L C 2.751 179.661 176.870 0.067 0.000 1.075 382 L CA 1.895 56.773 54.840 0.065 0.000 0.752 382 L CB -0.588 41.501 42.059 0.051 0.000 0.891 382 L HN 0.089 nan 8.230 nan 0.000 0.432 383 V N -0.531 119.433 119.914 0.083 0.000 2.346 383 V HA -0.207 3.928 4.120 0.026 0.000 0.244 383 V C 2.497 178.642 176.094 0.085 0.000 1.037 383 V CA 1.749 64.092 62.300 0.072 0.000 1.029 383 V CB -0.456 31.404 31.823 0.062 0.000 0.663 383 V HN 0.438 nan 8.190 nan 0.000 0.454 384 L N -0.596 120.708 121.223 0.135 0.000 2.240 384 L HA -0.031 4.325 4.340 0.026 0.000 0.211 384 L C 2.277 179.221 176.870 0.123 0.000 1.106 384 L CA 1.242 56.177 54.840 0.159 0.000 0.793 384 L CB -0.438 41.793 42.059 0.286 0.000 0.927 384 L HN 0.303 nan 8.230 nan 0.000 0.446 385 K N 0.334 120.788 120.400 0.090 0.000 2.426 385 K HA 0.037 4.373 4.320 0.026 0.000 0.193 385 K C -0.144 176.467 176.600 0.019 0.000 1.028 385 K CA 0.299 56.599 56.287 0.021 0.000 1.047 385 K CB 0.225 32.706 32.500 -0.033 0.000 0.821 385 K HN 0.317 nan 8.250 nan 0.000 0.513 386 N N -0.071 118.648 118.700 0.032 0.000 2.664 386 N HA 0.025 4.780 4.740 0.026 0.000 0.287 386 N C 0.151 175.678 175.510 0.029 0.000 1.869 386 N CA -0.111 52.954 53.050 0.024 0.000 0.832 386 N CB 1.490 39.989 38.487 0.020 0.000 1.293 386 N HN -0.212 nan 8.380 nan 0.000 0.498 387 V N -0.134 119.799 119.914 0.032 0.000 2.568 387 V HA -0.121 4.014 4.120 0.026 0.000 0.253 387 V C 1.753 177.863 176.094 0.026 0.000 1.072 387 V CA 2.338 64.657 62.300 0.032 0.000 1.084 387 V CB -0.170 31.674 31.823 0.035 0.000 0.676 387 V HN 0.684 nan 8.190 nan 0.000 0.469 388 G N -1.743 107.070 108.800 0.021 0.000 3.192 388 G HA2 0.051 4.027 3.960 0.026 0.000 0.239 388 G HA3 0.051 4.027 3.960 0.026 0.000 0.239 388 G C 0.642 175.551 174.900 0.016 0.000 1.084 388 G CA 0.689 45.799 45.100 0.017 0.000 0.784 388 G HN 0.469 nan 8.290 nan 0.000 0.540 389 S N 0.848 116.558 115.700 0.016 0.000 2.443 389 S HA 0.152 4.638 4.470 0.026 0.000 0.284 389 S C 1.345 175.954 174.600 0.016 0.000 1.206 389 S CA -0.325 57.884 58.200 0.015 0.000 1.074 389 S CB 0.699 63.908 63.200 0.014 0.000 0.963 389 S HN 0.199 nan 8.310 nan 0.000 0.501 390 E N 3.891 124.099 120.200 0.014 0.000 2.204 390 E HA -0.149 4.217 4.350 0.026 0.000 0.195 390 E C 1.720 178.328 176.600 0.014 0.000 0.990 390 E CA 1.066 57.475 56.400 0.014 0.000 0.821 390 E CB -0.110 29.597 29.700 0.012 0.000 0.750 390 E HN 0.845 nan 8.360 nan 0.000 0.477 391 Q N -0.009 119.799 119.800 0.013 0.000 2.083 391 Q HA 0.023 4.379 4.340 0.026 0.000 0.198 391 Q C 1.995 178.004 176.000 0.015 0.000 0.969 391 Q CA 1.462 57.273 55.803 0.013 0.000 0.838 391 Q CB -0.125 28.619 28.738 0.011 0.000 0.900 391 Q HN 0.262 nan 8.270 nan 0.000 0.436 392 A N -0.112 122.718 122.820 0.017 0.000 1.902 392 A HA -0.159 4.177 4.320 0.026 0.000 0.217 392 A C 1.917 179.516 177.584 0.024 0.000 1.181 392 A CA 1.074 53.124 52.037 0.021 0.000 0.623 392 A CB -0.693 18.321 19.000 0.023 0.000 0.818 392 A HN 0.395 nan 8.150 nan 0.000 0.443 393 L N -0.345 120.892 121.223 0.023 0.000 1.970 393 L HA -0.185 4.171 4.340 0.026 0.000 0.212 393 L C 2.422 179.306 176.870 0.023 0.000 1.071 393 L CA 2.531 57.386 54.840 0.024 0.000 0.751 393 L CB -0.659 41.413 42.059 0.021 0.000 0.889 393 L HN 0.474 nan 8.230 nan 0.000 0.432 394 E N -0.838 119.374 120.200 0.019 0.000 2.110 394 E HA -0.245 4.121 4.350 0.026 0.000 0.193 394 E C 2.136 178.747 176.600 0.019 0.000 0.988 394 E CA 1.211 57.622 56.400 0.018 0.000 0.804 394 E CB -0.053 29.657 29.700 0.015 0.000 0.745 394 E HN 0.507 nan 8.360 nan 0.000 0.458 395 E N -0.261 119.950 120.200 0.018 0.000 2.031 395 E HA -0.259 4.107 4.350 0.026 0.000 0.193 395 E C 1.993 178.606 176.600 0.022 0.000 0.994 395 E CA 1.076 57.486 56.400 0.018 0.000 0.800 395 E CB -0.201 29.509 29.700 0.018 0.000 0.752 395 E HN 0.284 nan 8.360 nan 0.000 0.447 396 A N 1.563 124.398 122.820 0.025 0.000 1.881 396 A HA -0.305 4.031 4.320 0.026 0.000 0.219 396 A C 2.195 179.797 177.584 0.029 0.000 1.215 396 A CA 2.176 54.231 52.037 0.030 0.000 0.648 396 A CB -0.830 18.189 19.000 0.033 0.000 0.832 396 A HN 0.270 nan 8.150 nan 0.000 0.455 397 R N -0.820 119.696 120.500 0.027 0.000 2.119 397 R HA -0.230 4.126 4.340 0.026 0.000 0.246 397 R C 2.520 178.836 176.300 0.027 0.000 1.146 397 R CA 2.094 58.211 56.100 0.028 0.000 0.962 397 R CB -0.367 29.948 30.300 0.025 0.000 0.863 397 R HN 0.766 nan 8.270 nan 0.000 0.442 398 Q N -0.549 119.265 119.800 0.023 0.000 2.172 398 Q HA -0.084 4.271 4.340 0.026 0.000 0.200 398 Q C 2.107 178.119 176.000 0.019 0.000 0.964 398 Q CA 1.010 56.826 55.803 0.020 0.000 0.855 398 Q CB 0.034 28.782 28.738 0.016 0.000 0.918 398 Q HN 0.296 nan 8.270 nan 0.000 0.444 399 R N -0.065 120.447 120.500 0.019 0.000 2.073 399 R HA -0.073 4.283 4.340 0.026 0.000 0.229 399 R C 2.337 178.649 176.300 0.020 0.000 1.120 399 R CA 1.051 57.160 56.100 0.015 0.000 0.967 399 R CB -0.282 30.027 30.300 0.015 0.000 0.862 399 R HN 0.058 nan 8.270 nan 0.000 0.436 400 V N 1.199 121.133 119.914 0.034 0.000 2.255 400 V HA -0.290 3.846 4.120 0.026 0.000 0.247 400 V C 2.426 178.551 176.094 0.052 0.000 1.051 400 V CA 2.085 64.417 62.300 0.053 0.000 1.018 400 V CB -0.789 31.068 31.823 0.057 0.000 0.641 400 V HN 0.443 nan 8.190 nan 0.000 0.445 401 A N -0.192 122.655 122.820 0.044 0.000 1.986 401 A HA -0.186 4.150 4.320 0.026 0.000 0.220 401 A C 2.320 179.926 177.584 0.037 0.000 1.171 401 A CA 2.228 54.293 52.037 0.046 0.000 0.640 401 A CB -0.672 18.351 19.000 0.039 0.000 0.811 401 A HN 0.639 nan 8.150 nan 0.000 0.451 402 A N -0.892 121.939 122.820 0.019 0.000 2.067 402 A HA 0.196 4.532 4.320 0.026 0.000 0.217 402 A C 2.052 179.622 177.584 -0.024 0.000 1.156 402 A CA 1.090 53.127 52.037 -0.000 0.000 0.683 402 A CB -0.313 18.681 19.000 -0.010 0.000 0.808 402 A HN 0.470 nan 8.150 nan 0.000 0.455 403 L N -0.643 120.565 121.223 -0.024 0.000 2.202 403 L HA -0.047 4.308 4.340 0.026 0.000 0.205 403 L C 2.707 179.584 176.870 0.011 0.000 1.083 403 L CA 1.701 56.486 54.840 -0.092 0.000 0.790 403 L CB -0.497 41.512 42.059 -0.083 0.000 0.942 403 L HN 0.587 nan 8.230 nan 0.000 0.452 404 T N -4.924 109.680 114.554 0.083 0.000 3.081 404 T HA 0.003 4.369 4.350 0.026 0.000 0.250 404 T C 0.736 175.469 174.700 0.056 0.000 1.100 404 T CA -0.463 61.658 62.100 0.035 0.000 1.038 404 T CB -0.069 68.783 68.868 -0.028 0.000 0.962 404 T HN 0.142 nan 8.240 nan 0.000 0.516 405 D N 0.000 120.454 120.400 0.089 0.000 6.856 405 D HA 0.000 4.656 4.640 0.026 0.000 0.175 405 D CA 0.000 54.072 54.000 0.119 0.000 0.868 405 D CB 0.000 40.849 40.800 0.082 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683