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 1yjz_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 TTTTHMTLRG 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 0.000 176.194 176.300 -0.177 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 1 M CB 0.000 32.628 32.600 0.047 0.000 1.302 2 K N 1.071 121.325 120.400 -0.242 0.000 2.362 2 K HA 0.292 4.631 4.320 0.032 0.000 0.203 2 K C 0.973 177.215 176.600 -0.596 0.000 1.198 2 K CA 1.288 57.282 56.287 -0.488 0.000 0.908 2 K CB 0.138 32.222 32.500 -0.692 0.000 1.236 2 K HN 0.757 nan 8.250 nan 0.000 0.487 3 Y N 0.807 121.041 120.300 -0.110 0.000 2.397 3 Y HA -0.012 4.544 4.550 0.010 0.000 0.292 3 Y C 2.005 177.831 175.900 -0.123 0.000 1.115 3 Y CA 0.269 58.309 58.100 -0.100 0.000 1.208 3 Y CB -0.234 38.187 38.460 -0.065 0.000 1.046 3 Y HN -0.056 nan 8.280 nan 0.000 0.552 4 L N 1.493 122.703 121.223 -0.022 0.000 2.012 4 L HA -0.098 4.261 4.340 0.032 0.000 0.210 4 L C -0.798 175.954 176.870 -0.196 0.000 1.073 4 L CA 2.045 56.855 54.840 -0.050 0.000 0.748 4 L CB -1.669 40.411 42.059 0.035 0.000 0.891 4 L HN 0.007 nan 8.230 nan 0.000 0.431 5 P HA -0.196 nan 4.420 nan 0.000 0.216 5 P C 1.412 178.540 177.300 -0.286 0.000 1.150 5 P CA 1.300 63.953 63.100 -0.746 0.000 0.837 5 P CB 0.040 31.073 31.700 -1.111 0.000 0.786 6 Q N 0.093 119.767 119.800 -0.209 0.000 2.062 6 Q HA -0.165 4.194 4.340 0.032 0.000 0.196 6 Q C 2.335 178.309 176.000 -0.043 0.000 0.967 6 Q CA 1.730 57.472 55.803 -0.102 0.000 0.832 6 Q CB -1.116 27.575 28.738 -0.078 0.000 0.899 6 Q HN 0.022 nan 8.270 nan 0.000 0.442 7 Q N 0.196 119.985 119.800 -0.019 0.000 2.119 7 Q HA -0.050 4.309 4.340 0.032 0.000 0.201 7 Q C -0.393 175.615 176.000 0.013 0.000 0.972 7 Q CA 1.646 57.454 55.803 0.008 0.000 0.847 7 Q CB 0.173 28.927 28.738 0.026 0.000 0.903 7 Q HN 0.232 nan 8.270 nan 0.000 0.433 8 D N -1.188 119.224 120.400 0.020 0.000 2.429 8 D HA 0.215 4.875 4.640 0.032 0.000 0.255 8 D C -2.244 174.113 176.300 0.095 0.000 1.257 8 D CA -1.827 52.203 54.000 0.050 0.000 0.890 8 D CB 1.353 42.187 40.800 0.056 0.000 1.267 8 D HN -0.020 nan 8.370 nan 0.000 0.521 9 P HA -0.150 nan 4.420 nan 0.000 0.215 9 P C 1.440 178.826 177.300 0.144 0.000 1.153 9 P CA 1.207 64.389 63.100 0.136 0.000 0.853 9 P CB 0.584 32.333 31.700 0.081 0.000 0.788 10 Q N -0.661 119.191 119.800 0.088 0.000 2.030 10 Q HA -0.114 4.245 4.340 0.032 0.000 0.204 10 Q C 2.161 178.199 176.000 0.064 0.000 0.986 10 Q CA 1.499 57.339 55.803 0.061 0.000 0.843 10 Q CB -0.912 27.851 28.738 0.040 0.000 0.904 10 Q HN 0.092 nan 8.270 nan 0.000 0.420 11 V N 0.529 120.490 119.914 0.078 0.000 2.358 11 V HA -0.229 3.910 4.120 0.032 0.000 0.246 11 V C 1.946 178.103 176.094 0.104 0.000 1.047 11 V CA 1.615 63.959 62.300 0.073 0.000 1.035 11 V CB -0.603 31.264 31.823 0.073 0.000 0.658 11 V HN 0.308 nan 8.190 nan 0.000 0.452 12 F N 1.649 121.600 119.950 0.002 0.000 2.126 12 F HA -0.165 4.371 4.527 0.015 0.000 0.299 12 F C 2.257 178.056 175.800 -0.002 0.000 1.096 12 F CA 1.282 59.282 58.000 -0.000 0.000 1.255 12 F CB -0.603 38.395 39.000 -0.003 0.000 0.997 12 F HN 0.081 nan 8.300 nan 0.000 0.479 13 A N 0.389 123.162 122.820 -0.077 0.000 1.877 13 A HA -0.073 4.266 4.320 0.032 0.000 0.216 13 A C 2.444 179.919 177.584 -0.182 0.000 1.186 13 A CA 1.944 53.879 52.037 -0.170 0.000 0.620 13 A CB -1.593 17.390 19.000 -0.029 0.000 0.822 13 A HN 0.489 nan 8.150 nan 0.000 0.443 14 A N -0.331 122.429 122.820 -0.100 0.000 1.933 14 A HA -0.041 4.298 4.320 0.032 0.000 0.218 14 A C 2.122 179.644 177.584 -0.103 0.000 1.175 14 A CA 1.464 53.455 52.037 -0.076 0.000 0.628 14 A CB -0.551 18.430 19.000 -0.032 0.000 0.814 14 A HN 0.506 nan 8.150 nan 0.000 0.444 15 I N -0.641 119.847 120.570 -0.136 0.000 2.202 15 I HA -0.179 4.011 4.170 0.032 0.000 0.242 15 I C 2.462 178.455 176.117 -0.207 0.000 1.091 15 I CA 1.082 62.302 61.300 -0.133 0.000 1.368 15 I CB -0.314 37.638 38.000 -0.080 0.000 1.058 15 I HN 0.262 nan 8.210 nan 0.000 0.410 16 E N 0.780 120.743 120.200 -0.394 0.000 2.118 16 E HA -0.236 4.134 4.350 0.032 0.000 0.195 16 E C 2.158 178.638 176.600 -0.200 0.000 0.992 16 E CA 1.155 57.324 56.400 -0.384 0.000 0.804 16 E CB -0.285 29.043 29.700 -0.619 0.000 0.741 16 E HN 0.565 nan 8.360 nan 0.000 0.458 17 Q N 0.305 120.007 119.800 -0.164 0.000 2.014 17 Q HA -0.238 4.121 4.340 0.032 0.000 0.207 17 Q C 2.214 178.181 176.000 -0.056 0.000 0.993 17 Q CA 1.765 57.514 55.803 -0.090 0.000 0.850 17 Q CB -0.334 28.362 28.738 -0.070 0.000 0.916 17 Q HN 0.168 nan 8.270 nan 0.000 0.417 18 E N 1.239 121.406 120.200 -0.055 0.000 2.085 18 E HA -0.204 4.165 4.350 0.032 0.000 0.194 18 E C 1.907 178.499 176.600 -0.014 0.000 0.994 18 E CA 1.491 57.878 56.400 -0.022 0.000 0.801 18 E CB -0.176 29.513 29.700 -0.017 0.000 0.743 18 E HN 0.234 nan 8.360 nan 0.000 0.453 19 R N 0.185 120.660 120.500 -0.042 0.000 2.073 19 R HA -0.132 4.228 4.340 0.032 0.000 0.234 19 R C 2.178 178.464 176.300 -0.023 0.000 1.134 19 R CA 1.953 58.030 56.100 -0.039 0.000 0.952 19 R CB -0.090 30.169 30.300 -0.068 0.000 0.850 19 R HN 0.068 nan 8.270 nan 0.000 0.433 20 K N -0.211 120.172 120.400 -0.028 0.000 2.148 20 K HA -0.140 4.199 4.320 0.032 0.000 0.204 20 K C 2.255 178.885 176.600 0.050 0.000 1.050 20 K CA 1.268 57.561 56.287 0.010 0.000 0.942 20 K CB -0.151 32.342 32.500 -0.012 0.000 0.724 20 K HN 0.139 nan 8.250 nan 0.000 0.446 21 R N 1.415 121.931 120.500 0.026 0.000 2.081 21 R HA -0.172 4.188 4.340 0.032 0.000 0.235 21 R C 2.044 178.372 176.300 0.047 0.000 1.131 21 R CA 1.652 57.772 56.100 0.033 0.000 0.960 21 R CB -0.026 30.289 30.300 0.025 0.000 0.856 21 R HN 0.286 nan 8.270 nan 0.000 0.436 22 Q N -1.113 118.719 119.800 0.054 0.000 2.096 22 Q HA -0.245 4.114 4.340 0.032 0.000 0.204 22 Q C 2.004 177.993 176.000 -0.018 0.000 0.982 22 Q CA 2.000 57.848 55.803 0.075 0.000 0.850 22 Q CB -0.239 28.544 28.738 0.075 0.000 0.901 22 Q HN 0.531 nan 8.270 nan 0.000 0.422 23 H N 0.048 119.049 119.070 -0.115 0.000 2.333 23 H HA 0.011 4.586 4.556 0.032 0.000 0.302 23 H C 1.822 177.126 175.328 -0.041 0.000 1.075 23 H CA 1.696 57.671 56.048 -0.120 0.000 1.348 23 H CB -0.053 29.648 29.762 -0.101 0.000 1.393 23 H HN 0.227 nan 8.280 nan 0.000 0.509 24 A N 0.937 123.720 122.820 -0.062 0.000 1.968 24 A HA 0.013 4.353 4.320 0.032 0.000 0.217 24 A C 1.067 178.615 177.584 -0.060 0.000 1.169 24 A CA 0.626 52.616 52.037 -0.079 0.000 0.638 24 A CB -0.052 18.961 19.000 0.022 0.000 0.812 24 A HN 0.166 nan 8.150 nan 0.000 0.446 25 K N -0.384 120.003 120.400 -0.022 0.000 2.090 25 K HA 0.516 4.855 4.320 0.032 0.000 0.250 25 K C -0.572 176.036 176.600 0.013 0.000 1.004 25 K CA -0.497 55.796 56.287 0.010 0.000 0.919 25 K CB 0.690 33.209 32.500 0.033 0.000 1.045 25 K HN 0.227 nan 8.250 nan 0.000 0.471 26 I N 2.089 122.679 120.570 0.033 0.000 2.310 26 I HA 0.041 4.230 4.170 0.032 0.000 0.287 26 I C 0.249 176.380 176.117 0.024 0.000 1.073 26 I CA -0.682 60.640 61.300 0.037 0.000 1.216 26 I CB 0.712 38.768 38.000 0.094 0.000 1.415 26 I HN 0.398 nan 8.210 nan 0.000 0.480 27 E N 7.074 127.287 120.200 0.022 0.000 2.070 27 E HA 0.176 4.545 4.350 0.032 0.000 0.282 27 E C -0.040 176.544 176.600 -0.028 0.000 1.104 27 E CA 0.261 56.667 56.400 0.011 0.000 0.876 27 E CB 0.514 30.237 29.700 0.038 0.000 1.055 27 E HN 0.579 nan 8.360 nan 0.000 0.401 28 L N 5.025 126.238 121.223 -0.016 0.000 2.808 28 L HA 0.340 4.699 4.340 0.032 0.000 0.246 28 L C 0.297 177.159 176.870 -0.012 0.000 1.153 28 L CA -0.397 54.432 54.840 -0.017 0.000 0.956 28 L CB 0.145 42.197 42.059 -0.013 0.000 1.270 28 L HN 0.542 nan 8.230 nan 0.000 0.528 29 I N 1.074 121.637 120.570 -0.011 0.000 2.581 29 I HA -0.075 4.114 4.170 0.032 0.000 0.285 29 I C 1.651 177.790 176.117 0.036 0.000 1.129 29 I CA 0.006 61.313 61.300 0.011 0.000 1.397 29 I CB 1.422 39.428 38.000 0.010 0.000 1.399 29 I HN 0.176 nan 8.210 nan 0.000 0.537 30 A N 4.703 127.572 122.820 0.083 0.000 1.978 30 A HA -0.174 4.165 4.320 0.032 0.000 0.220 30 A C 2.183 179.918 177.584 0.252 0.000 1.170 30 A CA 1.976 54.113 52.037 0.167 0.000 0.636 30 A CB -0.471 18.610 19.000 0.135 0.000 0.810 30 A HN 0.805 nan 8.150 nan 0.000 0.448 31 S N -0.624 115.189 115.700 0.188 0.000 2.603 31 S HA 0.131 4.620 4.470 0.032 0.000 0.220 31 S C 0.423 175.010 174.600 -0.021 0.000 0.967 31 S CA -0.153 58.035 58.200 -0.020 0.000 0.920 31 S CB -0.069 63.126 63.200 -0.007 0.000 0.773 31 S HN 0.637 nan 8.310 nan 0.000 0.529 32 E N 1.022 121.207 120.200 -0.025 0.000 2.254 32 E HA 0.538 4.907 4.350 0.032 0.000 0.261 32 E C -0.508 175.981 176.600 -0.185 0.000 1.051 32 E CA -0.797 55.542 56.400 -0.102 0.000 0.902 32 E CB 0.692 30.304 29.700 -0.147 0.000 1.168 32 E HN 0.161 nan 8.360 nan 0.000 0.423 33 N N -0.255 118.262 118.700 -0.305 0.000 3.261 33 N HA 0.317 5.077 4.740 0.032 0.000 0.248 33 N C -1.969 173.228 175.510 -0.522 0.000 1.498 33 N CA -0.521 52.296 53.050 -0.388 0.000 0.884 33 N CB 0.923 39.359 38.487 -0.085 0.000 1.428 33 N HN 0.199 nan 8.380 nan 0.000 0.517 34 F N 1.020 120.979 119.950 0.016 0.000 2.477 34 F HA 0.405 4.948 4.527 0.026 0.000 0.335 34 F C 0.762 176.558 175.800 -0.007 0.000 1.130 34 F CA -0.833 57.166 58.000 -0.002 0.000 0.948 34 F CB 1.165 40.157 39.000 -0.015 0.000 1.154 34 F HN 0.165 nan 8.300 nan 0.000 0.439 35 V N 0.146 120.155 119.914 0.160 0.000 3.214 35 V HA 0.715 4.854 4.120 0.032 0.000 0.306 35 V C 0.378 176.513 176.094 0.069 0.000 1.078 35 V CA -0.777 61.575 62.300 0.086 0.000 1.077 35 V CB 1.160 33.016 31.823 0.055 0.000 1.121 35 V HN 0.824 nan 8.190 nan 0.000 0.468 36 S N 1.473 117.195 115.700 0.037 0.000 2.645 36 S HA 0.385 4.874 4.470 0.032 0.000 0.266 36 S C 0.874 175.483 174.600 0.015 0.000 1.258 36 S CA -0.291 57.922 58.200 0.021 0.000 0.990 36 S CB 0.898 64.105 63.200 0.011 0.000 0.967 36 S HN 0.730 nan 8.310 nan 0.000 0.556 37 R N 0.535 121.041 120.500 0.009 0.000 2.120 37 R HA -0.046 4.313 4.340 0.032 0.000 0.234 37 R C 2.511 178.813 176.300 0.004 0.000 1.123 37 R CA 1.312 57.416 56.100 0.007 0.000 0.975 37 R CB -0.900 29.402 30.300 0.003 0.000 0.866 37 R HN 0.816 nan 8.270 nan 0.000 0.446 38 A N 0.543 123.363 122.820 -0.000 0.000 1.930 38 A HA -0.091 4.249 4.320 0.032 0.000 0.217 38 A C 2.301 179.878 177.584 -0.012 0.000 1.175 38 A CA 1.157 53.191 52.037 -0.006 0.000 0.627 38 A CB -0.392 18.603 19.000 -0.008 0.000 0.815 38 A HN 0.106 nan 8.150 nan 0.000 0.443 39 V N -0.003 119.903 119.914 -0.014 0.000 2.343 39 V HA -0.319 3.820 4.120 0.032 0.000 0.247 39 V C 2.649 178.735 176.094 -0.013 0.000 1.051 39 V CA 2.292 64.576 62.300 -0.025 0.000 1.036 39 V CB -0.693 31.116 31.823 -0.024 0.000 0.654 39 V HN 0.579 nan 8.190 nan 0.000 0.451 40 M N -0.716 118.886 119.600 0.002 0.000 2.117 40 M HA -0.203 4.297 4.480 0.032 0.000 0.262 40 M C 2.199 178.507 176.300 0.014 0.000 1.065 40 M CA 1.865 57.172 55.300 0.012 0.000 1.114 40 M CB -0.532 32.079 32.600 0.019 0.000 1.361 40 M HN 0.354 nan 8.290 nan 0.000 0.408 41 E N 0.478 120.684 120.200 0.009 0.000 2.110 41 E HA -0.168 4.201 4.350 0.032 0.000 0.193 41 E C 2.105 178.710 176.600 0.009 0.000 0.988 41 E CA 1.276 57.682 56.400 0.010 0.000 0.804 41 E CB -0.161 29.542 29.700 0.005 0.000 0.745 41 E HN 0.513 nan 8.360 nan 0.000 0.458 42 A N 1.327 124.147 122.820 -0.000 0.000 1.902 42 A HA -0.237 4.102 4.320 0.032 0.000 0.217 42 A C 2.033 179.635 177.584 0.029 0.000 1.181 42 A CA 1.312 53.349 52.037 0.001 0.000 0.623 42 A CB -0.382 18.603 19.000 -0.025 0.000 0.818 42 A HN 0.197 nan 8.150 nan 0.000 0.443 43 Q N -0.815 119.004 119.800 0.032 0.000 2.230 43 Q HA -0.050 4.309 4.340 0.032 0.000 0.202 43 Q C 1.649 177.721 176.000 0.121 0.000 0.963 43 Q CA 0.946 56.803 55.803 0.091 0.000 0.866 43 Q CB -0.290 28.482 28.738 0.057 0.000 0.931 43 Q HN 0.625 nan 8.270 nan 0.000 0.452 44 G N 1.453 110.287 108.800 0.056 0.000 3.262 44 G HA2 0.042 4.021 3.960 0.032 0.000 0.228 44 G HA3 0.042 4.021 3.960 0.032 0.000 0.228 44 G C 0.331 175.232 174.900 0.003 0.000 1.197 44 G CA 0.015 45.133 45.100 0.030 0.000 0.819 44 G HN 0.272 nan 8.290 nan 0.000 0.531 45 S N -0.886 114.817 115.700 0.005 0.000 2.707 45 S HA 0.299 4.788 4.470 0.032 0.000 0.276 45 S C 1.494 176.060 174.600 -0.057 0.000 1.179 45 S CA 0.045 58.236 58.200 -0.015 0.000 0.992 45 S CB 1.535 64.738 63.200 0.005 0.000 1.030 45 S HN 0.537 nan 8.310 nan 0.000 0.554 46 V N -0.663 119.220 119.914 -0.053 0.000 3.444 46 V HA 0.083 4.223 4.120 0.032 0.000 0.271 46 V C 1.516 177.571 176.094 -0.066 0.000 1.188 46 V CA 0.815 63.074 62.300 -0.069 0.000 1.168 46 V CB -1.382 30.412 31.823 -0.048 0.000 0.810 46 V HN 0.679 nan 8.190 nan 0.000 0.500 47 L N 0.809 122.009 121.223 -0.039 0.000 2.291 47 L HA -0.016 4.343 4.340 0.032 0.000 0.214 47 L C 2.738 179.587 176.870 -0.035 0.000 1.120 47 L CA 2.175 57.016 54.840 0.001 0.000 0.799 47 L CB -1.084 41.012 42.059 0.062 0.000 0.925 47 L HN 0.544 nan 8.230 nan 0.000 0.446 48 T N -0.311 114.100 114.554 -0.238 0.000 2.665 48 T HA -0.269 4.100 4.350 0.032 0.000 0.268 48 T C 1.602 176.140 174.700 -0.270 0.000 1.035 48 T CA 2.245 63.934 62.100 -0.684 0.000 1.151 48 T CB -0.362 67.949 68.868 -0.928 0.000 0.862 48 T HN 0.505 nan 8.240 nan 0.000 0.438 49 N N 0.425 119.035 118.700 -0.149 0.000 2.588 49 N HA -0.034 4.726 4.740 0.032 0.000 0.190 49 N C 0.252 175.738 175.510 -0.040 0.000 1.094 49 N CA 0.399 53.398 53.050 -0.086 0.000 0.921 49 N CB 0.020 38.475 38.487 -0.052 0.000 0.959 49 N HN 0.253 nan 8.380 nan 0.000 0.448 50 K N 0.194 120.564 120.400 -0.049 0.000 2.345 50 K HA 0.226 4.565 4.320 0.032 0.000 0.255 50 K C -1.580 174.974 176.600 -0.076 0.000 0.934 50 K CA -0.692 55.595 56.287 -0.000 0.000 0.801 50 K CB 0.595 33.110 32.500 0.026 0.000 1.137 50 K HN -0.122 nan 8.250 nan 0.000 0.424 51 Y N 2.107 122.401 120.300 -0.009 0.000 2.402 51 Y HA 0.364 4.938 4.550 0.040 0.000 0.333 51 Y C 0.425 176.171 175.900 -0.256 0.000 1.076 51 Y CA 0.516 58.499 58.100 -0.195 0.000 1.299 51 Y CB 1.364 39.593 38.460 -0.384 0.000 1.197 51 Y HN 0.694 nan 8.280 nan 0.000 0.517 52 A N 4.162 126.924 122.820 -0.097 0.000 3.045 52 A HA 0.267 4.606 4.320 0.032 0.000 0.244 52 A C -0.148 177.278 177.584 -0.265 0.000 0.917 52 A CA -0.600 51.352 52.037 -0.142 0.000 1.075 52 A CB -0.327 18.613 19.000 -0.100 0.000 1.202 52 A HN 0.771 nan 8.150 nan 0.000 0.486 53 E N 0.197 120.177 120.200 -0.366 0.000 2.437 53 E HA 0.392 4.761 4.350 0.032 0.000 0.263 53 E C 0.976 177.310 176.600 -0.444 0.000 1.030 53 E CA 1.297 57.268 56.400 -0.716 0.000 0.934 53 E CB 0.544 29.651 29.700 -0.987 0.000 0.943 53 E HN 1.158 nan 8.360 nan 0.000 0.444 54 G N 0.749 109.204 108.800 -0.574 0.000 2.582 54 G HA2 -0.228 3.751 3.960 0.032 0.000 0.222 54 G HA3 -0.228 3.751 3.960 0.032 0.000 0.222 54 G C -1.421 173.147 174.900 -0.554 0.000 1.311 54 G CA -0.713 44.287 45.100 -0.167 0.000 0.915 54 G HN 0.420 nan 8.290 nan 0.000 0.528 55 Y N -0.244 120.059 120.300 0.005 0.000 2.633 55 Y HA 0.608 5.178 4.550 0.033 0.000 0.339 55 Y C -1.915 173.977 175.900 -0.013 0.000 1.045 55 Y CA -1.891 56.218 58.100 0.016 0.000 1.098 55 Y CB 1.919 40.421 38.460 0.069 0.000 1.296 55 Y HN 0.436 nan 8.280 nan 0.000 0.494 56 P HA 0.036 nan 4.420 nan 0.000 0.260 56 P C 0.555 177.891 177.300 0.060 0.000 1.172 56 P CA 1.986 65.132 63.100 0.077 0.000 0.760 56 P CB 0.141 31.891 31.700 0.083 0.000 0.773 57 G N 3.094 111.902 108.800 0.014 0.000 2.184 57 G HA2 -0.265 3.715 3.960 0.032 0.000 0.264 57 G HA3 -0.265 3.715 3.960 0.032 0.000 0.264 57 G C 0.469 175.360 174.900 -0.015 0.000 0.975 57 G CA -0.253 44.846 45.100 -0.002 0.000 0.642 57 G HN 0.559 nan 8.290 nan 0.000 0.536 58 R N -0.099 120.387 120.500 -0.022 0.000 2.583 58 R HA 0.235 4.594 4.340 0.032 0.000 0.282 58 R C 0.350 176.527 176.300 -0.206 0.000 1.288 58 R CA -0.459 55.596 56.100 -0.076 0.000 1.415 58 R CB 0.317 30.624 30.300 0.012 0.000 1.331 58 R HN 0.277 nan 8.270 nan 0.000 0.719 59 R N -0.080 120.291 120.500 -0.215 0.000 2.549 59 R HA 0.295 4.654 4.340 0.032 0.000 0.267 59 R C 0.358 176.423 176.300 -0.393 0.000 1.045 59 R CA -0.411 55.537 56.100 -0.252 0.000 1.115 59 R CB 0.623 30.869 30.300 -0.089 0.000 1.121 59 R HN 0.133 nan 8.270 nan 0.000 0.543 60 Y N -0.389 119.938 120.300 0.044 0.000 2.524 60 Y HA 0.232 4.801 4.550 0.031 0.000 0.266 60 Y C -0.440 175.646 175.900 0.310 0.000 1.180 60 Y CA 0.028 58.205 58.100 0.128 0.000 1.244 60 Y CB 0.326 38.845 38.460 0.098 0.000 1.125 60 Y HN 0.326 nan 8.280 nan 0.000 0.524 61 Y N -0.816 119.507 120.300 0.038 0.000 2.534 61 Y HA 0.603 5.172 4.550 0.032 0.000 0.345 61 Y C 0.606 176.504 175.900 -0.004 0.000 1.031 61 Y CA -2.033 56.084 58.100 0.028 0.000 1.022 61 Y CB 1.352 39.837 38.460 0.043 0.000 1.292 61 Y HN -0.051 nan 8.280 nan 0.000 0.459 62 G N 0.043 108.890 108.800 0.080 0.000 2.580 62 G HA2 0.438 4.417 3.960 0.032 0.000 0.278 62 G HA3 0.438 4.417 3.960 0.032 0.000 0.278 62 G C 0.758 175.683 174.900 0.041 0.000 1.212 62 G CA -0.068 45.048 45.100 0.026 0.000 0.939 62 G HN 1.461 nan 8.290 nan 0.000 0.513 63 G N -2.256 106.545 108.800 0.002 0.000 2.162 63 G HA2 -0.303 3.676 3.960 0.032 0.000 0.260 63 G HA3 -0.303 3.676 3.960 0.032 0.000 0.260 63 G C 0.965 175.859 174.900 -0.009 0.000 0.976 63 G CA 0.641 45.742 45.100 0.000 0.000 0.655 63 G HN 0.955 nan 8.290 nan 0.000 0.533 64 C N 0.557 119.845 119.300 -0.020 0.000 2.613 64 C HA 0.346 4.825 4.460 0.032 0.000 0.273 64 C C 2.282 177.213 174.990 -0.098 0.000 1.304 64 C CA 0.456 59.459 59.018 -0.026 0.000 1.702 64 C CB -0.672 27.064 27.740 -0.008 0.000 1.792 64 C HN 0.640 nan 8.230 nan 0.000 0.588 65 E N 0.885 120.948 120.200 -0.227 0.000 2.097 65 E HA -0.219 4.150 4.350 0.032 0.000 0.196 65 E C 1.262 177.650 176.600 -0.352 0.000 1.000 65 E CA 1.862 58.042 56.400 -0.367 0.000 0.804 65 E CB -0.277 29.040 29.700 -0.639 0.000 0.740 65 E HN 0.800 nan 8.360 nan 0.000 0.454 66 Y N -0.589 119.717 120.300 0.011 0.000 2.365 66 Y HA -0.065 4.505 4.550 0.032 0.000 0.293 66 Y C 2.292 178.195 175.900 0.006 0.000 1.119 66 Y CA 0.472 58.576 58.100 0.007 0.000 1.203 66 Y CB -0.144 38.319 38.460 0.005 0.000 1.026 66 Y HN 0.019 nan 8.280 nan 0.000 0.549 67 V N -2.396 117.587 119.914 0.115 0.000 2.667 67 V HA -0.163 3.976 4.120 0.032 0.000 0.252 67 V C 1.330 177.447 176.094 0.038 0.000 1.065 67 V CA 1.790 64.129 62.300 0.065 0.000 1.083 67 V CB -0.426 31.421 31.823 0.039 0.000 0.692 67 V HN 0.172 nan 8.190 nan 0.000 0.468 68 D N 1.233 121.645 120.400 0.020 0.000 2.144 68 D HA -0.069 4.591 4.640 0.032 0.000 0.199 68 D C 2.074 178.396 176.300 0.037 0.000 0.984 68 D CA 1.860 55.871 54.000 0.018 0.000 0.834 68 D CB -0.261 40.536 40.800 -0.005 0.000 0.955 68 D HN 0.550 nan 8.370 nan 0.000 0.465 69 I N 0.126 120.728 120.570 0.052 0.000 2.179 69 I HA -0.222 3.967 4.170 0.032 0.000 0.242 69 I C 2.395 178.544 176.117 0.055 0.000 1.088 69 I CA 0.643 61.982 61.300 0.064 0.000 1.357 69 I CB -0.439 37.614 38.000 0.088 0.000 1.051 69 I HN -0.107 nan 8.210 nan 0.000 0.409 70 V N 0.934 120.880 119.914 0.053 0.000 2.343 70 V HA -0.287 3.852 4.120 0.032 0.000 0.247 70 V C 2.560 178.667 176.094 0.022 0.000 1.051 70 V CA 2.189 64.507 62.300 0.030 0.000 1.036 70 V CB -0.581 31.257 31.823 0.026 0.000 0.654 70 V HN 0.486 nan 8.190 nan 0.000 0.451 71 E N -0.391 119.827 120.200 0.030 0.000 2.106 71 E HA -0.211 4.158 4.350 0.032 0.000 0.192 71 E C 2.232 178.869 176.600 0.061 0.000 0.984 71 E CA 1.051 57.474 56.400 0.039 0.000 0.806 71 E CB 0.018 29.744 29.700 0.043 0.000 0.750 71 E HN 0.515 nan 8.360 nan 0.000 0.458 72 E N 0.415 120.650 120.200 0.059 0.000 2.152 72 E HA -0.124 4.245 4.350 0.032 0.000 0.192 72 E C 2.263 178.900 176.600 0.061 0.000 0.983 72 E CA 0.480 56.917 56.400 0.061 0.000 0.818 72 E CB -0.045 29.687 29.700 0.053 0.000 0.758 72 E HN 0.386 nan 8.360 nan 0.000 0.467 73 L N 0.439 121.695 121.223 0.055 0.000 2.017 73 L HA -0.199 4.160 4.340 0.032 0.000 0.208 73 L C 2.572 179.498 176.870 0.094 0.000 1.073 73 L CA 1.303 56.177 54.840 0.057 0.000 0.745 73 L CB -0.539 41.543 42.059 0.038 0.000 0.894 73 L HN 0.068 nan 8.230 nan 0.000 0.432 74 A N 0.070 122.947 122.820 0.096 0.000 1.858 74 A HA -0.211 4.128 4.320 0.032 0.000 0.216 74 A C 2.375 180.134 177.584 0.292 0.000 1.190 74 A CA 1.558 53.710 52.037 0.192 0.000 0.617 74 A CB -0.514 18.529 19.000 0.071 0.000 0.827 74 A HN 0.309 nan 8.150 nan 0.000 0.443 75 R N -0.586 120.008 120.500 0.156 0.000 2.083 75 R HA -0.122 4.238 4.340 0.032 0.000 0.237 75 R C 2.084 178.425 176.300 0.068 0.000 1.137 75 R CA 1.444 57.601 56.100 0.094 0.000 0.951 75 R CB -0.347 29.977 30.300 0.039 0.000 0.851 75 R HN 0.493 nan 8.270 nan 0.000 0.434 76 E N 0.555 120.796 120.200 0.067 0.000 2.106 76 E HA -0.138 4.231 4.350 0.032 0.000 0.192 76 E C 2.028 178.650 176.600 0.037 0.000 0.984 76 E CA 1.047 57.473 56.400 0.043 0.000 0.806 76 E CB -0.063 29.660 29.700 0.039 0.000 0.750 76 E HN 0.329 nan 8.360 nan 0.000 0.458 77 R N 0.537 121.086 120.500 0.083 0.000 2.115 77 R HA 0.011 4.370 4.340 0.032 0.000 0.230 77 R C 2.319 178.583 176.300 -0.060 0.000 1.111 77 R CA 1.034 57.170 56.100 0.061 0.000 0.976 77 R CB -0.251 30.151 30.300 0.169 0.000 0.870 77 R HN 0.078 nan 8.270 nan 0.000 0.445 78 A N 1.609 124.383 122.820 -0.076 0.000 1.898 78 A HA -0.187 4.152 4.320 0.032 0.000 0.216 78 A C 1.875 179.409 177.584 -0.084 0.000 1.181 78 A CA 1.382 53.261 52.037 -0.264 0.000 0.620 78 A CB -0.213 18.653 19.000 -0.222 0.000 0.819 78 A HN 0.164 nan 8.150 nan 0.000 0.442 79 K N -0.708 119.670 120.400 -0.036 0.000 2.097 79 K HA -0.171 4.169 4.320 0.032 0.000 0.206 79 K C 2.356 178.931 176.600 -0.041 0.000 1.049 79 K CA 1.605 57.885 56.287 -0.011 0.000 0.933 79 K CB -0.155 32.344 32.500 -0.001 0.000 0.717 79 K HN 0.626 nan 8.250 nan 0.000 0.442 80 Q N 0.282 120.040 119.800 -0.070 0.000 2.079 80 Q HA -0.152 4.207 4.340 0.032 0.000 0.200 80 Q C 1.924 177.818 176.000 -0.177 0.000 0.974 80 Q CA 0.987 56.735 55.803 -0.092 0.000 0.840 80 Q CB 0.077 28.770 28.738 -0.075 0.000 0.898 80 Q HN 0.124 nan 8.270 nan 0.000 0.430 81 L N -0.763 120.270 121.223 -0.317 0.000 1.994 81 L HA -0.138 4.222 4.340 0.032 0.000 0.208 81 L C 1.542 177.986 176.870 -0.710 0.000 1.071 81 L CA 1.873 56.334 54.840 -0.632 0.000 0.745 81 L CB -0.495 40.947 42.059 -1.029 0.000 0.892 81 L HN 0.258 nan 8.230 nan 0.000 0.431 82 F N -1.244 118.635 119.950 -0.119 0.000 2.720 82 F HA 0.381 4.926 4.527 0.030 0.000 0.301 82 F C 1.770 177.531 175.800 -0.065 0.000 1.103 82 F CA 0.360 58.306 58.000 -0.090 0.000 1.291 82 F CB -0.395 38.531 39.000 -0.124 0.000 1.086 82 F HN 0.153 nan 8.300 nan 0.000 0.592 83 G N 0.910 109.745 108.800 0.057 0.000 2.153 83 G HA2 -0.131 3.849 3.960 0.032 0.000 0.252 83 G HA3 -0.131 3.849 3.960 0.032 0.000 0.252 83 G C 0.354 175.274 174.900 0.034 0.000 0.994 83 G CA 0.030 45.148 45.100 0.030 0.000 0.698 83 G HN 0.651 nan 8.290 nan 0.000 0.521 84 A N -0.597 122.255 122.820 0.054 0.000 2.304 84 A HA 0.750 5.089 4.320 0.032 0.000 0.271 84 A C 1.095 178.699 177.584 0.034 0.000 1.091 84 A CA 0.625 52.682 52.037 0.034 0.000 0.812 84 A CB 0.507 19.525 19.000 0.030 0.000 1.056 84 A HN 0.385 nan 8.150 nan 0.000 0.489 85 E N -0.495 119.732 120.200 0.044 0.000 2.216 85 E HA -0.051 4.319 4.350 0.032 0.000 0.192 85 E C 0.242 176.919 176.600 0.128 0.000 0.988 85 E CA 0.844 57.279 56.400 0.059 0.000 0.834 85 E CB 0.090 29.813 29.700 0.038 0.000 0.772 85 E HN 0.673 nan 8.360 nan 0.000 0.479 86 H N -1.238 117.840 119.070 0.014 0.000 2.974 86 H HA 0.573 5.149 4.556 0.033 0.000 0.366 86 H C -1.838 173.509 175.328 0.032 0.000 1.155 86 H CA -0.610 55.450 56.048 0.020 0.000 1.186 86 H CB 1.964 31.740 29.762 0.023 0.000 1.799 86 H HN 0.027 nan 8.280 nan 0.000 0.541 87 A N 3.484 125.952 122.820 -0.587 0.000 2.401 87 A HA 0.390 4.729 4.320 0.032 0.000 0.310 87 A C -1.035 176.222 177.584 -0.546 0.000 1.075 87 A CA -0.874 50.935 52.037 -0.381 0.000 0.746 87 A CB 1.426 20.337 19.000 -0.148 0.000 1.277 87 A HN 0.794 nan 8.150 nan 0.000 0.425 88 N N 0.934 119.517 118.700 -0.196 0.000 2.491 88 N HA 0.420 5.179 4.740 0.032 0.000 0.274 88 N C -0.009 175.536 175.510 0.058 0.000 1.023 88 N CA -0.517 52.528 53.050 -0.008 0.000 0.902 88 N CB 1.611 40.162 38.487 0.107 0.000 1.267 88 N HN 0.547 nan 8.380 nan 0.000 0.503 89 V N 0.864 120.836 119.914 0.097 0.000 3.444 89 V HA 0.179 4.319 4.120 0.032 0.000 0.308 89 V C 1.129 177.262 176.094 0.065 0.000 1.371 89 V CA 0.296 62.661 62.300 0.109 0.000 1.141 89 V CB -0.006 31.904 31.823 0.145 0.000 1.037 89 V HN 0.675 nan 8.190 nan 0.000 0.433 90 Q N 0.698 120.535 119.800 0.061 0.000 2.389 90 Q HA 0.157 4.516 4.340 0.032 0.000 0.204 90 Q C -1.570 174.377 176.000 -0.088 0.000 0.944 90 Q CA -0.372 55.420 55.803 -0.018 0.000 0.908 90 Q CB -0.858 27.856 28.738 -0.040 0.000 1.002 90 Q HN 0.553 nan 8.270 nan 0.000 0.493 91 P HA -0.117 nan 4.420 nan 0.000 0.261 91 P C -0.190 177.100 177.300 -0.016 0.000 1.183 91 P CA 0.649 63.701 63.100 -0.080 0.000 0.761 91 P CB 0.393 32.081 31.700 -0.020 0.000 0.785 92 H N 0.574 119.636 119.070 -0.012 0.000 2.545 92 H HA 0.039 4.614 4.556 0.032 0.000 0.282 92 H C 0.992 176.318 175.328 -0.003 0.000 1.020 92 H CA 0.952 56.985 56.048 -0.024 0.000 1.243 92 H CB 0.077 29.820 29.762 -0.033 0.000 1.377 92 H HN 0.507 nan 8.280 nan 0.000 0.581 93 S N -3.078 112.701 115.700 0.133 0.000 2.627 93 S HA 0.349 4.838 4.470 0.032 0.000 0.268 93 S C 1.256 175.912 174.600 0.094 0.000 1.130 93 S CA -0.369 57.906 58.200 0.125 0.000 0.819 93 S CB 0.878 64.145 63.200 0.112 0.000 1.100 93 S HN 0.080 nan 8.310 nan 0.000 0.465 94 G N 0.775 109.636 108.800 0.102 0.000 2.422 94 G HA2 0.109 4.089 3.960 0.032 0.000 0.218 94 G HA3 0.109 4.089 3.960 0.032 0.000 0.218 94 G C 1.512 176.450 174.900 0.062 0.000 1.146 94 G CA 1.231 46.352 45.100 0.034 0.000 0.769 94 G HN 1.400 nan 8.290 nan 0.000 0.547 95 A N 0.249 123.138 122.820 0.113 0.000 1.877 95 A HA -0.103 4.236 4.320 0.032 0.000 0.216 95 A C 2.381 180.029 177.584 0.107 0.000 1.186 95 A CA 2.196 54.340 52.037 0.178 0.000 0.620 95 A CB -0.448 18.670 19.000 0.198 0.000 0.822 95 A HN 0.335 nan 8.150 nan 0.000 0.443 96 Q N -0.439 119.383 119.800 0.037 0.000 2.167 96 Q HA 0.054 4.413 4.340 0.032 0.000 0.202 96 Q C 2.271 178.245 176.000 -0.042 0.000 0.970 96 Q CA 1.662 57.444 55.803 -0.034 0.000 0.855 96 Q CB -0.654 28.070 28.738 -0.022 0.000 0.911 96 Q HN 0.657 nan 8.270 nan 0.000 0.438 97 A N 0.698 123.506 122.820 -0.020 0.000 1.877 97 A HA -0.209 4.130 4.320 0.032 0.000 0.216 97 A C 1.810 179.339 177.584 -0.092 0.000 1.186 97 A CA 1.686 53.697 52.037 -0.043 0.000 0.620 97 A CB -0.577 18.403 19.000 -0.033 0.000 0.822 97 A HN 0.336 nan 8.150 nan 0.000 0.443 98 N N -0.495 118.151 118.700 -0.090 0.000 2.120 98 N HA -0.156 4.603 4.740 0.032 0.000 0.188 98 N C 1.729 177.027 175.510 -0.353 0.000 1.024 98 N CA 1.685 54.570 53.050 -0.275 0.000 0.852 98 N CB -0.538 37.865 38.487 -0.139 0.000 1.003 98 N HN 0.641 nan 8.380 nan 0.000 0.424 99 M N 0.514 120.127 119.600 0.022 0.000 2.108 99 M HA -0.134 4.365 4.480 0.032 0.000 0.261 99 M C 1.776 178.102 176.300 0.042 0.000 1.066 99 M CA 1.651 57.017 55.300 0.110 0.000 1.107 99 M CB -0.013 32.403 32.600 -0.307 0.000 1.356 99 M HN 0.174 nan 8.290 nan 0.000 0.406 100 A N -0.556 122.235 122.820 -0.049 0.000 1.969 100 A HA -0.069 4.270 4.320 0.032 0.000 0.218 100 A C 2.006 179.575 177.584 -0.025 0.000 1.169 100 A CA 1.559 53.593 52.037 -0.005 0.000 0.635 100 A CB -0.900 18.085 19.000 -0.025 0.000 0.810 100 A HN 0.429 nan 8.150 nan 0.000 0.445 101 V N -1.007 118.798 119.914 -0.182 0.000 2.307 101 V HA -0.247 3.892 4.120 0.032 0.000 0.245 101 V C 2.410 178.354 176.094 -0.249 0.000 1.045 101 V CA 1.792 63.860 62.300 -0.386 0.000 1.024 101 V CB -1.078 30.452 31.823 -0.489 0.000 0.651 101 V HN 0.640 nan 8.190 nan 0.000 0.449 102 Y N -0.885 119.365 120.300 -0.084 0.000 2.181 102 Y HA -0.189 4.381 4.550 0.034 0.000 0.288 102 Y C 2.277 178.199 175.900 0.036 0.000 1.146 102 Y CA 0.842 58.888 58.100 -0.089 0.000 1.164 102 Y CB -1.259 37.265 38.460 0.106 0.000 0.982 102 Y HN 0.275 nan 8.280 nan 0.000 0.515 103 F N 0.592 120.641 119.950 0.164 0.000 2.161 103 F HA -0.223 4.324 4.527 0.034 0.000 0.300 103 F C 2.221 178.020 175.800 -0.002 0.000 1.089 103 F CA 1.943 60.010 58.000 0.112 0.000 1.282 103 F CB -0.519 38.521 39.000 0.067 0.000 1.010 103 F HN -0.048 nan 8.300 nan 0.000 0.485 104 T N -0.411 114.127 114.554 -0.027 0.000 2.698 104 T HA -0.124 4.245 4.350 0.032 0.000 0.260 104 T C 2.098 176.638 174.700 -0.268 0.000 1.044 104 T CA 2.052 64.050 62.100 -0.171 0.000 1.149 104 T CB -0.545 68.169 68.868 -0.257 0.000 0.864 104 T HN 0.237 nan 8.240 nan 0.000 0.419 105 V N -0.981 118.708 119.914 -0.375 0.000 3.354 105 V HA 0.422 4.561 4.120 0.032 0.000 0.258 105 V C 0.540 176.490 176.094 -0.239 0.000 1.159 105 V CA 0.336 62.386 62.300 -0.415 0.000 1.125 105 V CB -0.627 30.777 31.823 -0.699 0.000 0.774 105 V HN 0.244 nan 8.190 nan 0.000 0.464 106 L N 1.696 122.799 121.223 -0.200 0.000 2.333 106 L HA 0.640 5.000 4.340 0.032 0.000 0.269 106 L C -0.137 176.737 176.870 0.006 0.000 1.010 106 L CA -0.751 53.999 54.840 -0.152 0.000 0.818 106 L CB 1.891 43.686 42.059 -0.440 0.000 1.306 106 L HN 0.379 nan 8.230 nan 0.000 0.430 107 E N -0.056 120.181 120.200 0.060 0.000 2.222 107 E HA 0.226 4.595 4.350 0.032 0.000 0.272 107 E C -0.612 176.150 176.600 0.270 0.000 0.982 107 E CA -0.854 55.622 56.400 0.127 0.000 0.842 107 E CB 1.297 31.040 29.700 0.072 0.000 1.144 107 E HN 0.572 nan 8.360 nan 0.000 0.397 108 H N 1.332 120.502 119.070 0.168 0.000 3.140 108 H HA 0.125 4.700 4.556 0.032 0.000 0.316 108 H C 1.235 176.623 175.328 0.100 0.000 0.986 108 H CA 2.279 58.392 56.048 0.108 0.000 1.397 108 H CB 0.326 30.104 29.762 0.027 0.000 1.377 108 H HN 0.885 nan 8.280 nan 0.000 0.585 109 G N 3.583 112.145 108.800 -0.397 0.000 2.199 109 G HA2 -0.291 3.688 3.960 0.032 0.000 0.254 109 G HA3 -0.291 3.688 3.960 0.032 0.000 0.254 109 G C 0.145 175.014 174.900 -0.050 0.000 0.982 109 G CA 0.160 45.102 45.100 -0.264 0.000 0.632 109 G HN 0.740 nan 8.290 nan 0.000 0.529 110 D N 1.118 121.545 120.400 0.045 0.000 2.378 110 D HA 0.432 5.092 4.640 0.032 0.000 0.238 110 D C 0.806 177.056 176.300 -0.083 0.000 1.180 110 D CA 0.787 54.779 54.000 -0.014 0.000 0.895 110 D CB 0.615 41.391 40.800 -0.040 0.000 1.192 110 D HN 0.105 nan 8.370 nan 0.000 0.438 111 T N 1.009 115.495 114.554 -0.114 0.000 2.817 111 T HA 0.419 4.788 4.350 0.032 0.000 0.293 111 T C -0.095 174.424 174.700 -0.302 0.000 0.964 111 T CA -0.533 61.461 62.100 -0.177 0.000 1.085 111 T CB 0.775 69.587 68.868 -0.093 0.000 0.921 111 T HN -0.016 nan 8.240 nan 0.000 0.502 112 V N 4.369 123.958 119.914 -0.542 0.000 2.656 112 V HA 0.532 4.671 4.120 0.032 0.000 0.307 112 V C -0.662 175.076 176.094 -0.593 0.000 1.051 112 V CA -1.045 60.806 62.300 -0.749 0.000 0.893 112 V CB 1.923 32.832 31.823 -1.525 0.000 0.999 112 V HN 0.674 nan 8.190 nan 0.000 0.426 113 L N 4.101 125.162 121.223 -0.269 0.000 2.280 113 L HA 0.956 5.315 4.340 0.032 0.000 0.287 113 L C 0.211 177.124 176.870 0.071 0.000 1.023 113 L CA 0.507 55.321 54.840 -0.043 0.000 0.819 113 L CB 0.859 42.990 42.059 0.119 0.000 1.212 113 L HN 0.776 nan 8.230 nan 0.000 0.420 114 G N 4.004 112.821 108.800 0.028 0.000 2.818 114 G HA2 0.459 4.438 3.960 0.032 0.000 0.286 114 G HA3 0.459 4.438 3.960 0.032 0.000 0.286 114 G C -1.197 173.295 174.900 -0.680 0.000 1.364 114 G CA -0.986 44.086 45.100 -0.047 0.000 0.938 114 G HN 0.696 nan 8.290 nan 0.000 0.490 115 M N 1.498 120.714 119.600 -0.640 0.000 2.217 115 M HA 0.205 4.704 4.480 0.032 0.000 0.354 115 M C 0.496 176.527 176.300 -0.448 0.000 1.225 115 M CA -0.682 54.120 55.300 -0.830 0.000 1.137 115 M CB 0.537 32.990 32.600 -0.245 0.000 1.576 115 M HN 0.580 nan 8.290 nan 0.000 0.461 116 N N 4.545 122.953 118.700 -0.486 0.000 2.365 116 N HA -0.082 4.677 4.740 0.032 0.000 0.265 116 N C 0.790 176.145 175.510 -0.258 0.000 1.288 116 N CA 0.232 53.031 53.050 -0.417 0.000 0.869 116 N CB 0.507 38.540 38.487 -0.756 0.000 1.071 116 N HN 0.823 nan 8.380 nan 0.000 0.480 117 L N 2.616 123.716 121.223 -0.206 0.000 2.129 117 L HA -0.216 4.143 4.340 0.032 0.000 0.212 117 L C 1.918 178.722 176.870 -0.109 0.000 1.087 117 L CA 1.697 56.445 54.840 -0.154 0.000 0.757 117 L CB -0.972 40.979 42.059 -0.179 0.000 0.896 117 L HN 0.646 nan 8.230 nan 0.000 0.434 118 S N -3.242 112.396 115.700 -0.103 0.000 2.575 118 S HA -0.007 4.483 4.470 0.032 0.000 0.215 118 S C 1.204 175.881 174.600 0.128 0.000 0.966 118 S CA -0.229 57.964 58.200 -0.013 0.000 0.911 118 S CB -0.388 62.801 63.200 -0.018 0.000 0.780 118 S HN 0.553 nan 8.310 nan 0.000 0.514 119 H N -0.140 118.863 119.070 -0.112 0.000 2.755 119 H HA 0.390 4.965 4.556 0.032 0.000 0.273 119 H C 1.502 176.842 175.328 0.019 0.000 1.055 119 H CA -0.022 55.989 56.048 -0.061 0.000 1.191 119 H CB 0.862 30.566 29.762 -0.096 0.000 1.536 119 H HN 0.588 nan 8.280 nan 0.000 0.529 120 G N 0.611 109.477 108.800 0.111 0.000 2.738 120 G HA2 -0.181 3.798 3.960 0.032 0.000 0.195 120 G HA3 -0.181 3.798 3.960 0.032 0.000 0.195 120 G C 0.710 175.656 174.900 0.076 0.000 1.001 120 G CA -0.361 44.803 45.100 0.108 0.000 0.759 120 G HN 0.486 nan 8.290 nan 0.000 0.494 121 G N 0.187 109.011 108.800 0.041 0.000 2.491 121 G HA2 0.442 4.422 3.960 0.032 0.000 0.242 121 G HA3 0.442 4.422 3.960 0.032 0.000 0.242 121 G C -0.103 174.788 174.900 -0.013 0.000 1.266 121 G CA 0.199 45.354 45.100 0.091 0.000 0.844 121 G HN 0.461 nan 8.290 nan 0.000 0.571 122 H N 1.556 120.443 119.070 -0.306 0.000 2.508 122 H HA 0.104 4.680 4.556 0.032 0.000 0.358 122 H C 1.474 176.533 175.328 -0.448 0.000 1.212 122 H CA -0.823 54.928 56.048 -0.495 0.000 1.356 122 H CB 1.559 30.819 29.762 -0.837 0.000 1.525 122 H HN 0.337 nan 8.280 nan 0.000 0.578 123 L N 2.754 123.275 121.223 -1.170 0.000 2.051 123 L HA -0.214 4.146 4.340 0.032 0.000 0.214 123 L C 2.335 178.883 176.870 -0.537 0.000 1.076 123 L CA 2.554 56.929 54.840 -0.774 0.000 0.758 123 L CB -0.772 40.818 42.059 -0.782 0.000 0.890 123 L HN 0.839 nan 8.230 nan 0.000 0.433 124 T N -4.099 110.216 114.554 -0.400 0.000 3.215 124 T HA -0.028 4.341 4.350 0.032 0.000 0.254 124 T C 0.598 175.320 174.700 0.037 0.000 1.149 124 T CA 0.343 62.392 62.100 -0.085 0.000 1.042 124 T CB -0.749 68.271 68.868 0.253 0.000 0.966 124 T HN 0.430 nan 8.240 nan 0.000 0.534 125 H N 0.581 119.517 119.070 -0.222 0.000 2.507 125 H HA 0.546 5.121 4.556 0.032 0.000 0.281 125 H C 1.555 176.309 175.328 -0.957 0.000 1.160 125 H CA -0.967 54.893 56.048 -0.314 0.000 0.981 125 H CB -0.049 29.691 29.762 -0.038 0.000 1.665 125 H HN 0.500 nan 8.280 nan 0.000 0.554 126 G N 0.118 108.127 108.800 -1.318 0.000 2.192 126 G HA2 -0.281 3.699 3.960 0.032 0.000 0.193 126 G HA3 -0.281 3.699 3.960 0.032 0.000 0.193 126 G C 0.550 175.089 174.900 -0.601 0.000 0.999 126 G CA 0.116 44.354 45.100 -1.436 0.000 0.659 126 G HN 0.558 nan 8.290 nan 0.000 0.503 127 S N 1.496 116.923 115.700 -0.454 0.000 2.558 127 S HA 0.368 4.858 4.470 0.032 0.000 0.293 127 S C -0.041 174.417 174.600 -0.236 0.000 1.292 127 S CA 0.228 58.252 58.200 -0.293 0.000 1.063 127 S CB 1.184 64.227 63.200 -0.262 0.000 0.831 127 S HN 0.177 nan 8.310 nan 0.000 0.499 128 P HA 0.011 nan 4.420 nan 0.000 0.233 128 P C 1.019 178.275 177.300 -0.074 0.000 1.167 128 P CA 0.647 63.686 63.100 -0.102 0.000 0.770 128 P CB -0.329 31.330 31.700 -0.069 0.000 0.837 129 V N -4.198 115.671 119.914 -0.075 0.000 3.542 129 V HA 0.279 4.419 4.120 0.032 0.000 0.296 129 V C 0.613 176.684 176.094 -0.038 0.000 1.364 129 V CA -0.370 61.907 62.300 -0.038 0.000 1.118 129 V CB -0.966 30.851 31.823 -0.009 0.000 0.972 129 V HN 0.001 nan 8.190 nan 0.000 0.430 130 N N 0.403 119.049 118.700 -0.090 0.000 2.404 130 N HA 0.263 5.022 4.740 0.032 0.000 0.297 130 N C 0.928 176.391 175.510 -0.078 0.000 1.163 130 N CA -0.113 52.886 53.050 -0.086 0.000 0.864 130 N CB 2.145 40.507 38.487 -0.209 0.000 1.247 130 N HN 0.203 nan 8.380 nan 0.000 0.510 131 F N 2.051 122.003 119.950 0.003 0.000 2.161 131 F HA -0.165 4.382 4.527 0.032 0.000 0.300 131 F C 2.386 178.203 175.800 0.029 0.000 1.089 131 F CA 1.544 59.557 58.000 0.022 0.000 1.282 131 F CB -0.989 38.053 39.000 0.069 0.000 1.010 131 F HN 0.462 nan 8.300 nan 0.000 0.485 132 S N 0.507 115.574 115.700 -1.055 0.000 2.359 132 S HA -0.093 4.396 4.470 0.032 0.000 0.224 132 S C 2.275 176.721 174.600 -0.255 0.000 1.035 132 S CA 1.122 58.951 58.200 -0.619 0.000 1.018 132 S CB -1.708 61.033 63.200 -0.765 0.000 0.876 132 S HN 0.578 nan 8.310 nan 0.000 0.448 133 G N 0.322 108.914 108.800 -0.347 0.000 2.511 133 G HA2 0.096 4.075 3.960 0.032 0.000 0.217 133 G HA3 0.096 4.075 3.960 0.032 0.000 0.217 133 G C 1.338 176.186 174.900 -0.086 0.000 1.133 133 G CA 0.621 45.611 45.100 -0.183 0.000 0.792 133 G HN 0.473 nan 8.290 nan 0.000 0.539 134 V N 0.035 119.888 119.914 -0.101 0.000 2.535 134 V HA -0.083 4.056 4.120 0.032 0.000 0.246 134 V C 2.637 178.672 176.094 -0.099 0.000 1.045 134 V CA 1.921 64.186 62.300 -0.058 0.000 1.058 134 V CB 0.237 32.055 31.823 -0.008 0.000 0.689 134 V HN 0.377 nan 8.190 nan 0.000 0.461 135 Q N -0.979 118.685 119.800 -0.227 0.000 2.212 135 Q HA 0.029 4.388 4.340 0.032 0.000 0.199 135 Q C -0.062 175.471 176.000 -0.778 0.000 0.950 135 Q CA 1.125 56.635 55.803 -0.489 0.000 0.863 135 Q CB 0.182 28.447 28.738 -0.789 0.000 0.944 135 Q HN 0.662 nan 8.270 nan 0.000 0.465 136 Y N -1.145 119.137 120.300 -0.030 0.000 2.633 136 Y HA 0.411 4.980 4.550 0.031 0.000 0.339 136 Y C -0.471 175.404 175.900 -0.041 0.000 1.045 136 Y CA -2.055 55.992 58.100 -0.090 0.000 1.098 136 Y CB 0.635 39.029 38.460 -0.110 0.000 1.296 136 Y HN -0.178 nan 8.280 nan 0.000 0.494 137 N N 0.995 119.723 118.700 0.046 0.000 2.521 137 N HA 0.236 4.995 4.740 0.032 0.000 0.236 137 N C -1.850 173.607 175.510 -0.088 0.000 1.067 137 N CA -0.088 52.953 53.050 -0.015 0.000 0.939 137 N CB -0.258 38.194 38.487 -0.059 0.000 1.201 137 N HN 0.424 nan 8.380 nan 0.000 0.511 138 F N 2.758 122.642 119.950 -0.110 0.000 2.404 138 F HA 0.333 4.880 4.527 0.032 0.000 0.345 138 F C 0.496 176.191 175.800 -0.176 0.000 1.110 138 F CA -0.469 57.447 58.000 -0.140 0.000 1.130 138 F CB 1.044 39.961 39.000 -0.140 0.000 1.129 138 F HN 0.168 nan 8.300 nan 0.000 0.500 139 V N 0.990 120.842 119.914 -0.103 0.000 2.864 139 V HA 0.982 5.121 4.120 0.032 0.000 0.314 139 V C -0.638 175.389 176.094 -0.112 0.000 1.073 139 V CA -1.072 61.109 62.300 -0.197 0.000 0.956 139 V CB 1.250 32.775 31.823 -0.496 0.000 1.023 139 V HN 0.889 nan 8.190 nan 0.000 0.435 140 A N 2.793 125.533 122.820 -0.133 0.000 2.380 140 A HA 0.969 5.309 4.320 0.032 0.000 0.315 140 A C -1.002 176.506 177.584 -0.127 0.000 1.101 140 A CA -0.734 51.180 52.037 -0.205 0.000 0.771 140 A CB 1.551 20.395 19.000 -0.261 0.000 1.287 140 A HN 1.583 nan 8.150 nan 0.000 0.436 141 Y N -0.510 119.770 120.300 -0.034 0.000 2.528 141 Y HA 0.835 5.404 4.550 0.032 0.000 0.335 141 Y C 0.430 176.276 175.900 -0.090 0.000 1.093 141 Y CA -1.019 57.058 58.100 -0.038 0.000 1.134 141 Y CB 0.873 39.324 38.460 -0.015 0.000 1.253 141 Y HN 0.813 nan 8.280 nan 0.000 0.478 142 G N 0.337 109.231 108.800 0.158 0.000 3.013 142 G HA2 0.599 4.578 3.960 0.032 0.000 0.278 142 G HA3 0.599 4.578 3.960 0.032 0.000 0.278 142 G C -1.036 174.061 174.900 0.328 0.000 1.353 142 G CA -0.693 44.501 45.100 0.157 0.000 1.043 142 G HN 1.105 nan 8.290 nan 0.000 0.523 143 V N -1.847 118.375 119.914 0.514 0.000 2.837 143 V HA 0.486 4.626 4.120 0.032 0.000 0.310 143 V C 0.228 176.463 176.094 0.234 0.000 1.059 143 V CA -1.096 61.360 62.300 0.261 0.000 1.004 143 V CB 1.714 33.675 31.823 0.229 0.000 1.045 143 V HN 0.702 nan 8.190 nan 0.000 0.465 144 D N 4.058 124.539 120.400 0.134 0.000 2.488 144 D HA 0.096 4.755 4.640 0.032 0.000 0.238 144 D C -1.506 174.754 176.300 -0.066 0.000 1.138 144 D CA -0.984 53.049 54.000 0.055 0.000 0.873 144 D CB 1.947 42.770 40.800 0.040 0.000 1.183 144 D HN 0.507 nan 8.370 nan 0.000 0.458 145 P HA -0.107 nan 4.420 nan 0.000 0.222 145 P C 0.541 177.584 177.300 -0.429 0.000 1.147 145 P CA 1.052 63.820 63.100 -0.553 0.000 0.790 145 P CB 0.534 31.795 31.700 -0.732 0.000 0.780 146 E N -1.120 118.945 120.200 -0.225 0.000 2.290 146 E HA -0.020 4.349 4.350 0.032 0.000 0.199 146 E C 1.964 178.616 176.600 0.088 0.000 0.912 146 E CA 1.275 57.626 56.400 -0.082 0.000 0.924 146 E CB -0.892 28.785 29.700 -0.040 0.000 0.901 146 E HN 0.257 nan 8.360 nan 0.000 0.487 147 T N -2.478 112.130 114.554 0.089 0.000 3.067 147 T HA -0.025 4.344 4.350 0.032 0.000 0.257 147 T C 0.335 175.238 174.700 0.339 0.000 1.105 147 T CA 0.525 62.741 62.100 0.193 0.000 1.104 147 T CB -0.282 68.658 68.868 0.120 0.000 0.925 147 T HN 0.272 nan 8.240 nan 0.000 0.498 148 H N -0.534 118.586 119.070 0.082 0.000 2.958 148 H HA -0.111 4.464 4.556 0.032 0.000 0.274 148 H C -0.522 174.928 175.328 0.204 0.000 1.184 148 H CA 0.289 56.408 56.048 0.119 0.000 1.143 148 H CB -2.313 27.496 29.762 0.078 0.000 1.297 148 H HN 0.346 nan 8.280 nan 0.000 0.356 149 V N 1.654 121.737 119.914 0.282 0.000 2.481 149 V HA 0.185 4.324 4.120 0.032 0.000 0.286 149 V C 1.360 177.599 176.094 0.241 0.000 1.042 149 V CA -0.533 61.969 62.300 0.338 0.000 0.928 149 V CB 1.767 33.740 31.823 0.250 0.000 0.986 149 V HN 0.168 nan 8.190 nan 0.000 0.462 150 I N 3.739 124.418 120.570 0.181 0.000 2.989 150 I HA -0.095 4.094 4.170 0.032 0.000 0.311 150 I C 0.698 176.636 176.117 -0.299 0.000 1.221 150 I CA 0.711 61.899 61.300 -0.186 0.000 1.449 150 I CB 0.120 37.787 38.000 -0.554 0.000 1.325 150 I HN 0.635 nan 8.210 nan 0.000 0.557 151 D N 6.952 127.232 120.400 -0.200 0.000 2.441 151 D HA 0.059 4.718 4.640 0.032 0.000 0.221 151 D C 0.681 176.812 176.300 -0.282 0.000 1.156 151 D CA -0.109 53.813 54.000 -0.129 0.000 0.896 151 D CB 0.353 41.155 40.800 0.003 0.000 1.028 151 D HN 0.343 nan 8.370 nan 0.000 0.509 152 Y N 1.567 121.773 120.300 -0.156 0.000 2.315 152 Y HA -0.183 4.386 4.550 0.032 0.000 0.288 152 Y C 2.019 177.804 175.900 -0.191 0.000 1.154 152 Y CA 0.937 58.875 58.100 -0.269 0.000 1.229 152 Y CB 0.138 38.441 38.460 -0.260 0.000 0.980 152 Y HN 0.394 nan 8.280 nan 0.000 0.540 153 D N -0.164 120.241 120.400 0.009 0.000 2.117 153 D HA -0.179 4.480 4.640 0.032 0.000 0.198 153 D C 1.638 177.926 176.300 -0.021 0.000 0.982 153 D CA 1.579 55.575 54.000 -0.006 0.000 0.828 153 D CB -0.340 40.465 40.800 0.008 0.000 0.967 153 D HN 0.395 nan 8.370 nan 0.000 0.464 154 D N 0.456 120.842 120.400 -0.022 0.000 2.144 154 D HA -0.118 4.541 4.640 0.032 0.000 0.199 154 D C 2.089 178.392 176.300 0.004 0.000 0.984 154 D CA 0.459 54.466 54.000 0.012 0.000 0.834 154 D CB 0.150 40.980 40.800 0.051 0.000 0.955 154 D HN -0.064 nan 8.370 nan 0.000 0.465 155 V N 0.354 120.192 119.914 -0.126 0.000 2.343 155 V HA -0.201 3.938 4.120 0.032 0.000 0.247 155 V C 2.608 178.654 176.094 -0.080 0.000 1.051 155 V CA 1.965 64.140 62.300 -0.208 0.000 1.036 155 V CB -0.584 30.846 31.823 -0.655 0.000 0.654 155 V HN 0.219 nan 8.190 nan 0.000 0.451 156 R N 0.109 120.560 120.500 -0.082 0.000 2.075 156 R HA -0.190 4.169 4.340 0.032 0.000 0.232 156 R C 2.390 178.686 176.300 -0.006 0.000 1.126 156 R CA 1.866 57.942 56.100 -0.039 0.000 0.963 156 R CB -0.206 30.068 30.300 -0.042 0.000 0.858 156 R HN 0.698 nan 8.270 nan 0.000 0.435 157 E N 0.284 120.485 120.200 0.001 0.000 2.072 157 E HA -0.182 4.188 4.350 0.032 0.000 0.191 157 E C 1.465 178.077 176.600 0.019 0.000 0.985 157 E CA 0.978 57.380 56.400 0.004 0.000 0.801 157 E CB 0.193 29.898 29.700 0.008 0.000 0.750 157 E HN 0.116 nan 8.360 nan 0.000 0.452 158 K N 0.449 120.897 120.400 0.080 0.000 2.057 158 K HA -0.096 4.243 4.320 0.032 0.000 0.207 158 K C 2.091 178.797 176.600 0.177 0.000 1.049 158 K CA 1.128 57.529 56.287 0.190 0.000 0.931 158 K CB -0.501 32.150 32.500 0.251 0.000 0.714 158 K HN 0.227 nan 8.250 nan 0.000 0.440 159 A N 1.542 124.428 122.820 0.110 0.000 1.902 159 A HA -0.164 4.175 4.320 0.032 0.000 0.217 159 A C 2.253 179.864 177.584 0.045 0.000 1.181 159 A CA 1.419 53.510 52.037 0.090 0.000 0.623 159 A CB -0.382 18.658 19.000 0.067 0.000 0.818 159 A HN 0.251 nan 8.150 nan 0.000 0.443 160 R N -1.327 119.180 120.500 0.011 0.000 2.092 160 R HA -0.036 4.323 4.340 0.032 0.000 0.231 160 R C 2.084 178.350 176.300 -0.057 0.000 1.119 160 R CA 1.226 57.315 56.100 -0.018 0.000 0.970 160 R CB -0.400 29.888 30.300 -0.021 0.000 0.864 160 R HN 0.497 nan 8.270 nan 0.000 0.440 161 L N 0.116 121.273 121.223 -0.110 0.000 2.007 161 L HA -0.124 4.236 4.340 0.032 0.000 0.205 161 L C 1.826 178.519 176.870 -0.295 0.000 1.073 161 L CA 1.907 56.592 54.840 -0.259 0.000 0.744 161 L CB -0.437 41.346 42.059 -0.461 0.000 0.898 161 L HN 0.203 nan 8.230 nan 0.000 0.435 162 H N 0.626 119.695 119.070 -0.001 0.000 2.548 162 H HA 0.203 4.778 4.556 0.032 0.000 0.268 162 H C -0.024 175.294 175.328 -0.017 0.000 0.975 162 H CA 0.219 56.261 56.048 -0.011 0.000 1.195 162 H CB 0.072 29.826 29.762 -0.014 0.000 1.397 162 H HN 0.223 nan 8.280 nan 0.000 0.572 163 R N 0.484 121.025 120.500 0.069 0.000 3.059 163 R HA -0.107 4.252 4.340 0.032 0.000 0.251 163 R C -2.623 173.693 176.300 0.027 0.000 0.886 163 R CA 0.085 56.206 56.100 0.034 0.000 0.634 163 R CB -2.224 28.083 30.300 0.012 0.000 1.282 163 R HN 0.426 nan 8.270 nan 0.000 0.487 164 P HA 0.085 nan 4.420 nan 0.000 0.274 164 P C 0.539 177.826 177.300 -0.021 0.000 1.231 164 P CA -0.296 62.791 63.100 -0.023 0.000 0.790 164 P CB 0.898 32.578 31.700 -0.033 0.000 0.951 165 K N 0.541 120.915 120.400 -0.043 0.000 2.228 165 K HA 0.025 4.364 4.320 0.032 0.000 0.202 165 K C 0.414 177.055 176.600 0.067 0.000 1.051 165 K CA 0.561 56.852 56.287 0.006 0.000 0.960 165 K CB 0.000 32.500 32.500 0.000 0.000 0.743 165 K HN 0.305 nan 8.250 nan 0.000 0.458 166 L N 0.799 122.014 121.223 -0.013 0.000 2.422 166 L HA 0.478 4.837 4.340 0.032 0.000 0.264 166 L C -1.555 175.316 176.870 0.002 0.000 0.984 166 L CA -0.647 54.212 54.840 0.032 0.000 0.819 166 L CB 1.949 43.977 42.059 -0.053 0.000 1.330 166 L HN -0.077 nan 8.230 nan 0.000 0.410 167 I N 4.633 125.264 120.570 0.102 0.000 2.433 167 I HA 0.521 4.711 4.170 0.032 0.000 0.292 167 I C -0.924 175.269 176.117 0.126 0.000 1.001 167 I CA -0.933 60.453 61.300 0.144 0.000 1.119 167 I CB 2.015 40.156 38.000 0.234 0.000 1.289 167 I HN 0.242 nan 8.210 nan 0.000 0.438 168 V N 5.329 125.305 119.914 0.104 0.000 2.459 168 V HA 0.744 4.883 4.120 0.032 0.000 0.295 168 V C 0.115 176.153 176.094 -0.092 0.000 1.029 168 V CA -0.442 61.859 62.300 0.001 0.000 0.874 168 V CB 1.598 33.406 31.823 -0.026 0.000 0.985 168 V HN 0.838 nan 8.190 nan 0.000 0.438 169 A N 3.975 126.632 122.820 -0.272 0.000 2.355 169 A HA 1.059 5.398 4.320 0.032 0.000 0.324 169 A C 0.001 177.487 177.584 -0.164 0.000 1.117 169 A CA 0.076 51.821 52.037 -0.487 0.000 0.785 169 A CB 1.574 19.961 19.000 -1.021 0.000 1.254 169 A HN 2.502 nan 8.150 nan 0.000 0.453 170 A N -0.656 122.149 122.820 -0.025 0.000 2.438 170 A HA 0.565 4.904 4.320 0.032 0.000 0.686 170 A C -0.227 177.486 177.584 0.215 0.000 0.142 170 A CA -0.024 52.092 52.037 0.132 0.000 0.029 170 A CB -1.519 17.584 19.000 0.172 0.000 3.973 170 A HN 2.993 nan 8.150 nan 0.000 0.548 171 A N -1.150 121.819 122.820 0.250 0.000 2.599 171 A HA 0.950 5.289 4.320 0.032 0.000 0.290 171 A C 0.615 178.272 177.584 0.122 0.000 1.101 171 A CA 0.790 52.963 52.037 0.227 0.000 0.674 171 A CB 0.442 19.561 19.000 0.198 0.000 1.277 171 A HN 2.495 nan 8.150 nan 0.000 0.419 172 S N -0.818 114.904 115.700 0.036 0.000 2.511 172 S HA 0.490 4.979 4.470 0.032 0.000 0.214 172 S C 0.674 175.079 174.600 -0.324 0.000 0.997 172 S CA 0.785 58.870 58.200 -0.190 0.000 0.908 172 S CB 0.484 63.735 63.200 0.084 0.000 0.803 172 S HN 2.143 nan 8.310 nan 0.000 0.504 173 A N 0.542 123.305 122.820 -0.094 0.000 3.292 173 A HA 0.555 4.894 4.320 0.032 0.000 0.231 173 A C -0.965 176.666 177.584 0.078 0.000 0.952 173 A CA -0.431 51.568 52.037 -0.064 0.000 1.044 173 A CB 0.006 18.989 19.000 -0.029 0.000 1.236 173 A HN 0.457 nan 8.150 nan 0.000 0.525 174 Y N 1.771 122.041 120.300 -0.051 0.000 2.332 174 Y HA 0.539 5.108 4.550 0.031 0.000 0.326 174 Y C -2.289 173.622 175.900 0.018 0.000 0.978 174 Y CA -2.192 55.922 58.100 0.024 0.000 1.205 174 Y CB 2.337 40.852 38.460 0.091 0.000 1.131 174 Y HN 0.256 nan 8.280 nan 0.000 0.462 175 P HA 0.095 nan 4.420 nan 0.000 0.249 175 P C -0.230 176.860 177.300 -0.349 0.000 1.229 175 P CA 0.570 63.487 63.100 -0.304 0.000 0.788 175 P CB 0.480 32.035 31.700 -0.240 0.000 1.072 176 R N -0.098 120.001 120.500 -0.668 0.000 2.873 176 R HA 0.486 4.845 4.340 0.032 0.000 0.264 176 R C 0.437 176.717 176.300 -0.033 0.000 1.026 176 R CA -1.519 54.357 56.100 -0.373 0.000 1.002 176 R CB 0.739 30.798 30.300 -0.401 0.000 1.174 176 R HN 0.023 nan 8.270 nan 0.000 0.488 177 I N 2.290 122.887 120.570 0.045 0.000 2.710 177 I HA -0.001 4.188 4.170 0.032 0.000 0.286 177 I C 0.502 176.726 176.117 0.179 0.000 1.181 177 I CA 0.386 61.715 61.300 0.048 0.000 1.430 177 I CB 0.342 38.224 38.000 -0.198 0.000 1.367 177 I HN 0.256 nan 8.210 nan 0.000 0.577 178 I N 5.819 126.498 120.570 0.181 0.000 2.396 178 I HA 0.086 4.275 4.170 0.032 0.000 0.292 178 I C 0.301 176.172 176.117 -0.409 0.000 0.999 178 I CA -0.208 61.110 61.300 0.030 0.000 1.310 178 I CB 0.879 38.860 38.000 -0.032 0.000 1.404 178 I HN 0.480 nan 8.210 nan 0.000 0.496 179 D N 6.462 126.791 120.400 -0.119 0.000 2.494 179 D HA 0.143 4.803 4.640 0.032 0.000 0.217 179 D C 0.826 177.054 176.300 -0.120 0.000 1.153 179 D CA -0.059 53.776 54.000 -0.274 0.000 0.954 179 D CB 0.282 40.815 40.800 -0.446 0.000 1.034 179 D HN 0.370 nan 8.370 nan 0.000 0.518 180 F N 1.735 121.686 119.950 0.001 0.000 2.171 180 F HA -0.172 4.375 4.527 0.032 0.000 0.300 180 F C 2.538 178.117 175.800 -0.369 0.000 1.090 180 F CA 0.714 58.671 58.000 -0.072 0.000 1.293 180 F CB -0.039 38.921 39.000 -0.068 0.000 1.013 180 F HN 0.431 nan 8.300 nan 0.000 0.486 181 A N 0.405 122.824 122.820 -0.667 0.000 1.933 181 A HA -0.204 4.135 4.320 0.032 0.000 0.218 181 A C 2.160 179.643 177.584 -0.170 0.000 1.175 181 A CA 1.628 53.312 52.037 -0.588 0.000 0.628 181 A CB -0.523 18.161 19.000 -0.526 0.000 0.814 181 A HN 0.322 nan 8.150 nan 0.000 0.444 182 K N -1.573 118.713 120.400 -0.190 0.000 2.062 182 K HA -0.039 4.300 4.320 0.032 0.000 0.205 182 K C 1.678 178.233 176.600 -0.076 0.000 1.051 182 K CA 1.366 57.533 56.287 -0.201 0.000 0.941 182 K CB -0.328 31.886 32.500 -0.477 0.000 0.719 182 K HN 0.442 nan 8.250 nan 0.000 0.440 183 F N 1.387 121.353 119.950 0.027 0.000 2.095 183 F HA -0.203 4.344 4.527 0.033 0.000 0.298 183 F C 2.624 178.470 175.800 0.077 0.000 1.104 183 F CA 1.379 59.424 58.000 0.076 0.000 1.232 183 F CB -0.220 38.866 39.000 0.144 0.000 0.987 183 F HN -0.062 nan 8.300 nan 0.000 0.475 184 R N 0.946 121.613 120.500 0.278 0.000 2.096 184 R HA -0.179 4.180 4.340 0.032 0.000 0.235 184 R C 2.060 178.446 176.300 0.143 0.000 1.127 184 R CA 1.874 58.101 56.100 0.212 0.000 0.968 184 R CB -0.813 29.634 30.300 0.244 0.000 0.861 184 R HN 0.433 nan 8.270 nan 0.000 0.440 185 E N -0.230 120.027 120.200 0.095 0.000 2.110 185 E HA -0.166 4.203 4.350 0.032 0.000 0.193 185 E C 1.857 178.481 176.600 0.041 0.000 0.988 185 E CA 1.479 57.911 56.400 0.053 0.000 0.804 185 E CB -0.101 29.605 29.700 0.011 0.000 0.745 185 E HN 0.460 nan 8.360 nan 0.000 0.458 186 I N 0.784 121.376 120.570 0.036 0.000 2.353 186 I HA -0.201 3.988 4.170 0.032 0.000 0.248 186 I C 2.575 178.730 176.117 0.063 0.000 1.119 186 I CA 0.807 62.122 61.300 0.026 0.000 1.417 186 I CB -0.275 37.714 38.000 -0.020 0.000 1.078 186 I HN 0.155 nan 8.210 nan 0.000 0.421 187 A N 0.732 123.621 122.820 0.114 0.000 1.883 187 A HA -0.252 4.087 4.320 0.032 0.000 0.217 187 A C 1.927 179.561 177.584 0.083 0.000 1.186 187 A CA 2.166 54.278 52.037 0.126 0.000 0.624 187 A CB -0.619 18.500 19.000 0.197 0.000 0.822 187 A HN 0.335 nan 8.150 nan 0.000 0.444 188 D N -0.741 119.711 120.400 0.087 0.000 2.178 188 D HA -0.143 4.517 4.640 0.032 0.000 0.201 188 D C 1.839 178.157 176.300 0.029 0.000 0.980 188 D CA 1.355 55.390 54.000 0.058 0.000 0.842 188 D CB -0.367 40.471 40.800 0.063 0.000 0.948 188 D HN 0.746 nan 8.370 nan 0.000 0.472 189 E N 0.414 120.631 120.200 0.028 0.000 2.077 189 E HA -0.152 4.217 4.350 0.032 0.000 0.193 189 E C 1.740 178.344 176.600 0.007 0.000 0.989 189 E CA 1.283 57.691 56.400 0.013 0.000 0.800 189 E CB 0.274 29.978 29.700 0.008 0.000 0.746 189 E HN 0.238 nan 8.360 nan 0.000 0.452 190 V N -3.246 116.675 119.914 0.012 0.000 3.621 190 V HA 0.429 4.568 4.120 0.032 0.000 0.285 190 V C 0.915 177.003 176.094 -0.011 0.000 1.346 190 V CA 0.355 62.657 62.300 0.003 0.000 1.104 190 V CB 0.053 31.885 31.823 0.014 0.000 0.913 190 V HN 0.277 nan 8.190 nan 0.000 0.432 191 G N 0.393 109.181 108.800 -0.021 0.000 2.298 191 G HA2 0.062 4.041 3.960 0.032 0.000 0.287 191 G HA3 0.062 4.041 3.960 0.032 0.000 0.287 191 G C 0.147 174.984 174.900 -0.105 0.000 1.075 191 G CA 0.420 45.481 45.100 -0.066 0.000 0.960 191 G HN 1.662 nan 8.290 nan 0.000 0.502 192 A N -0.643 122.140 122.820 -0.061 0.000 2.322 192 A HA 0.896 5.236 4.320 0.032 0.000 0.327 192 A C -0.071 177.466 177.584 -0.079 0.000 1.134 192 A CA -0.859 51.147 52.037 -0.053 0.000 0.831 192 A CB 1.024 20.049 19.000 0.042 0.000 1.288 192 A HN 0.559 nan 8.150 nan 0.000 0.472 193 Y N -0.519 119.777 120.300 -0.007 0.000 2.298 193 Y HA 0.443 5.013 4.550 0.033 0.000 0.329 193 Y C 0.220 176.252 175.900 0.219 0.000 1.293 193 Y CA 0.113 58.196 58.100 -0.029 0.000 1.388 193 Y CB 0.917 39.354 38.460 -0.038 0.000 1.309 193 Y HN 0.547 nan 8.280 nan 0.000 0.544 194 L N 3.913 125.543 121.223 0.677 0.000 2.325 194 L HA 0.532 4.891 4.340 0.032 0.000 0.281 194 L C -0.974 176.086 176.870 0.316 0.000 1.004 194 L CA -0.861 54.210 54.840 0.385 0.000 0.823 194 L CB 1.260 43.479 42.059 0.267 0.000 1.236 194 L HN 0.714 nan 8.230 nan 0.000 0.415 195 M N 5.957 125.686 119.600 0.216 0.000 2.227 195 M HA 0.632 5.131 4.480 0.032 0.000 0.335 195 M C -1.766 174.536 176.300 0.004 0.000 1.053 195 M CA -0.574 54.825 55.300 0.164 0.000 0.973 195 M CB 1.579 34.272 32.600 0.155 0.000 1.623 195 M HN 0.425 nan 8.290 nan 0.000 0.434 196 V N 4.331 124.205 119.914 -0.067 0.000 2.384 196 V HA 0.284 4.423 4.120 0.032 0.000 0.287 196 V C -0.611 175.402 176.094 -0.135 0.000 1.020 196 V CA -0.566 61.630 62.300 -0.173 0.000 0.850 196 V CB 1.551 33.128 31.823 -0.410 0.000 0.987 196 V HN 0.787 nan 8.190 nan 0.000 0.436 197 D N 5.792 126.139 120.400 -0.087 0.000 2.456 197 D HA 0.241 4.900 4.640 0.032 0.000 0.219 197 D C 0.763 177.054 176.300 -0.016 0.000 1.126 197 D CA -0.479 53.504 54.000 -0.030 0.000 0.890 197 D CB 1.168 42.020 40.800 0.087 0.000 1.025 197 D HN 0.605 nan 8.370 nan 0.000 0.511 198 M N 1.788 121.333 119.600 -0.092 0.000 2.530 198 M HA 0.363 4.863 4.480 0.032 0.000 0.231 198 M C 1.449 177.703 176.300 -0.076 0.000 1.180 198 M CA -0.392 54.860 55.300 -0.080 0.000 0.985 198 M CB 0.631 33.129 32.600 -0.171 0.000 1.623 198 M HN 0.139 nan 8.290 nan 0.000 0.475 199 A N 1.168 123.943 122.820 -0.075 0.000 1.909 199 A HA -0.280 4.060 4.320 0.032 0.000 0.221 199 A C 1.846 179.337 177.584 -0.155 0.000 1.223 199 A CA 2.604 54.556 52.037 -0.142 0.000 0.658 199 A CB -1.381 17.521 19.000 -0.164 0.000 0.831 199 A HN 0.745 nan 8.150 nan 0.000 0.462 200 H N -0.425 118.595 119.070 -0.083 0.000 2.387 200 H HA -0.002 4.575 4.556 0.035 0.000 0.299 200 H C 1.760 176.955 175.328 -0.222 0.000 1.090 200 H CA 1.857 57.865 56.048 -0.068 0.000 1.332 200 H CB -0.113 29.727 29.762 0.130 0.000 1.386 200 H HN 0.679 nan 8.280 nan 0.000 0.516 201 I N -3.076 117.471 120.570 -0.037 0.000 3.928 201 I HA 0.380 4.570 4.170 0.032 0.000 0.335 201 I C 1.996 178.085 176.117 -0.048 0.000 1.325 201 I CA 0.329 61.566 61.300 -0.105 0.000 1.107 201 I CB 0.241 38.145 38.000 -0.160 0.000 1.014 201 I HN 0.080 nan 8.210 nan 0.000 0.400 202 A N 2.375 125.172 122.820 -0.039 0.000 1.903 202 A HA -0.157 4.182 4.320 0.032 0.000 0.219 202 A C 2.356 180.094 177.584 0.257 0.000 1.191 202 A CA 2.290 54.361 52.037 0.056 0.000 0.638 202 A CB -1.522 17.459 19.000 -0.030 0.000 0.823 202 A HN 0.554 nan 8.150 nan 0.000 0.451 203 G N -0.610 108.326 108.800 0.225 0.000 2.422 203 G HA2 -0.089 3.891 3.960 0.032 0.000 0.218 203 G HA3 -0.089 3.891 3.960 0.032 0.000 0.218 203 G C 1.513 176.599 174.900 0.310 0.000 1.140 203 G CA 0.977 46.316 45.100 0.398 0.000 0.775 203 G HN 0.461 nan 8.290 nan 0.000 0.545 204 L N 0.173 121.492 121.223 0.160 0.000 2.072 204 L HA -0.024 4.335 4.340 0.032 0.000 0.205 204 L C 2.933 179.933 176.870 0.217 0.000 1.079 204 L CA 0.314 55.238 54.840 0.140 0.000 0.752 204 L CB -0.617 41.513 42.059 0.119 0.000 0.906 204 L HN 0.059 nan 8.230 nan 0.000 0.436 205 V N 0.566 120.632 119.914 0.253 0.000 2.295 205 V HA -0.283 3.856 4.120 0.032 0.000 0.246 205 V C 2.836 179.095 176.094 0.276 0.000 1.049 205 V CA 1.882 64.370 62.300 0.312 0.000 1.024 205 V CB -0.936 31.090 31.823 0.338 0.000 0.648 205 V HN 0.471 nan 8.190 nan 0.000 0.447 206 A N -0.116 122.869 122.820 0.275 0.000 1.978 206 A HA -0.059 4.280 4.320 0.032 0.000 0.220 206 A C 2.163 179.797 177.584 0.082 0.000 1.170 206 A CA 1.931 53.964 52.037 -0.006 0.000 0.636 206 A CB -0.545 18.384 19.000 -0.119 0.000 0.810 206 A HN 0.626 nan 8.150 nan 0.000 0.448 207 A N -1.884 121.055 122.820 0.198 0.000 2.307 207 A HA 0.438 4.777 4.320 0.032 0.000 0.218 207 A C 1.674 179.322 177.584 0.107 0.000 1.228 207 A CA 1.048 53.184 52.037 0.163 0.000 0.857 207 A CB -0.926 18.157 19.000 0.139 0.000 0.897 207 A HN 1.865 nan 8.150 nan 0.000 0.495 208 G N -0.952 107.917 108.800 0.115 0.000 2.153 208 G HA2 -0.253 3.726 3.960 0.032 0.000 0.252 208 G HA3 -0.253 3.726 3.960 0.032 0.000 0.252 208 G C 0.560 175.524 174.900 0.105 0.000 0.994 208 G CA 0.580 45.744 45.100 0.106 0.000 0.698 208 G HN 0.540 nan 8.290 nan 0.000 0.521 209 L N -0.331 120.967 121.223 0.125 0.000 2.640 209 L HA 0.377 4.736 4.340 0.032 0.000 0.230 209 L C 0.912 177.877 176.870 0.158 0.000 1.123 209 L CA -0.120 54.783 54.840 0.106 0.000 0.900 209 L CB 0.269 42.371 42.059 0.071 0.000 1.146 209 L HN 0.392 nan 8.230 nan 0.000 0.484 210 H N 0.322 119.461 119.070 0.116 0.000 2.865 210 H HA 0.334 4.910 4.556 0.033 0.000 0.362 210 H C -2.685 172.758 175.328 0.191 0.000 1.114 210 H CA -1.866 54.269 56.048 0.146 0.000 1.208 210 H CB 2.713 32.584 29.762 0.182 0.000 1.727 210 H HN -0.259 nan 8.280 nan 0.000 0.534 211 P HA -0.082 nan 4.420 nan 0.000 0.263 211 P C -0.099 177.569 177.300 0.612 0.000 1.175 211 P CA 0.261 63.542 63.100 0.302 0.000 0.761 211 P CB 0.428 32.213 31.700 0.141 0.000 0.794 212 N N 4.740 123.705 118.700 0.443 0.000 2.470 212 N HA 0.075 4.834 4.740 0.032 0.000 0.268 212 N C -1.449 174.267 175.510 0.343 0.000 1.136 212 N CA -2.088 51.178 53.050 0.359 0.000 0.961 212 N CB 0.467 39.100 38.487 0.244 0.000 1.067 212 N HN 0.219 nan 8.380 nan 0.000 0.468 213 P HA -0.063 nan 4.420 nan 0.000 0.225 213 P C 1.429 178.669 177.300 -0.100 0.000 1.156 213 P CA 0.364 63.248 63.100 -0.360 0.000 0.787 213 P CB 0.466 31.535 31.700 -1.051 0.000 0.802 214 V N 2.103 121.975 119.914 -0.070 0.000 2.250 214 V HA -0.186 3.953 4.120 0.032 0.000 0.250 214 V C -0.275 175.750 176.094 -0.115 0.000 1.060 214 V CA 2.793 65.048 62.300 -0.076 0.000 1.030 214 V CB -2.574 29.238 31.823 -0.019 0.000 0.643 214 V HN 0.221 nan 8.190 nan 0.000 0.445 215 P HA -0.069 nan 4.420 nan 0.000 0.230 215 P C 0.816 177.797 177.300 -0.531 0.000 1.158 215 P CA 1.300 64.181 63.100 -0.364 0.000 0.769 215 P CB -0.072 31.347 31.700 -0.468 0.000 0.807 216 Y N -0.879 119.393 120.300 -0.047 0.000 2.535 216 Y HA 0.432 5.001 4.550 0.032 0.000 0.266 216 Y C 1.413 177.226 175.900 -0.145 0.000 1.088 216 Y CA -0.286 57.786 58.100 -0.047 0.000 1.285 216 Y CB -0.346 38.157 38.460 0.072 0.000 1.166 216 Y HN -0.191 nan 8.280 nan 0.000 0.525 217 A N -0.524 122.263 122.820 -0.055 0.000 2.312 217 A HA 0.392 4.732 4.320 0.032 0.000 0.328 217 A C -0.102 177.328 177.584 -0.255 0.000 1.158 217 A CA -0.420 51.537 52.037 -0.133 0.000 0.821 217 A CB 0.330 19.272 19.000 -0.097 0.000 1.170 217 A HN 0.453 nan 8.150 nan 0.000 0.490 218 H N 0.664 119.643 119.070 -0.152 0.000 2.395 218 H HA 0.156 4.731 4.556 0.032 0.000 0.299 218 H C -0.647 174.173 175.328 -0.847 0.000 1.070 218 H CA 1.894 57.662 56.048 -0.468 0.000 1.356 218 H CB -0.011 29.305 29.762 -0.743 0.000 1.401 218 H HN 0.572 nan 8.280 nan 0.000 0.524 219 F N -0.591 119.383 119.950 0.040 0.000 2.565 219 F HA 0.525 5.071 4.527 0.031 0.000 0.313 219 F C -0.830 174.923 175.800 -0.079 0.000 1.091 219 F CA -1.250 56.727 58.000 -0.038 0.000 0.915 219 F CB 1.993 40.929 39.000 -0.108 0.000 1.208 219 F HN -0.350 nan 8.300 nan 0.000 0.453 220 V N 1.318 121.268 119.914 0.060 0.000 2.577 220 V HA 0.612 4.751 4.120 0.032 0.000 0.303 220 V C -0.417 175.626 176.094 -0.085 0.000 1.042 220 V CA -0.727 61.528 62.300 -0.076 0.000 0.872 220 V CB 2.097 33.812 31.823 -0.180 0.000 0.998 220 V HN 0.911 nan 8.190 nan 0.000 0.423 221 T N 0.598 115.092 114.554 -0.099 0.000 2.940 221 T HA 0.876 5.245 4.350 0.032 0.000 0.288 221 T C -0.368 174.249 174.700 -0.137 0.000 1.033 221 T CA -0.692 61.347 62.100 -0.100 0.000 1.033 221 T CB 2.205 71.026 68.868 -0.078 0.000 1.079 221 T HN 0.796 nan 8.240 nan 0.000 0.496 222 T N 0.422 114.897 114.554 -0.132 0.000 2.775 222 T HA 0.568 4.937 4.350 0.032 0.000 0.320 222 T C -0.698 173.921 174.700 -0.136 0.000 1.597 222 T CA -0.348 61.658 62.100 -0.158 0.000 1.022 222 T CB 1.280 70.008 68.868 -0.234 0.000 1.485 222 T HN 1.206 nan 8.240 nan 0.000 0.494 223 T N 0.230 114.659 114.554 -0.208 0.000 2.899 223 T HA 0.443 4.813 4.350 0.032 0.000 0.284 223 T C 1.493 176.071 174.700 -0.204 0.000 1.004 223 T CA 0.205 62.130 62.100 -0.293 0.000 1.043 223 T CB 1.017 69.403 68.868 -0.804 0.000 1.013 223 T HN 0.793 nan 8.240 nan 0.000 0.518 224 T N -2.023 112.499 114.554 -0.054 0.000 3.044 224 T HA -0.013 4.356 4.350 0.032 0.000 0.250 224 T C 1.432 176.175 174.700 0.073 0.000 1.081 224 T CA 0.297 62.451 62.100 0.091 0.000 1.040 224 T CB -0.470 68.502 68.868 0.173 0.000 0.962 224 T HN 0.907 nan 8.240 nan 0.000 0.506 225 H N -0.210 118.866 119.070 0.011 0.000 2.539 225 H HA 0.419 4.996 4.556 0.034 0.000 0.269 225 H C 1.260 176.568 175.328 -0.034 0.000 0.980 225 H CA -0.222 55.821 56.048 -0.009 0.000 1.152 225 H CB -0.260 29.483 29.762 -0.031 0.000 1.407 225 H HN 0.348 nan 8.280 nan 0.000 0.564 226 M N 1.076 120.565 119.600 -0.185 0.000 1.986 226 M HA 0.011 4.510 4.480 0.032 0.000 0.159 226 M C 2.341 178.610 176.300 -0.052 0.000 1.430 226 M CA 1.291 56.498 55.300 -0.155 0.000 1.199 226 M CB -0.212 32.162 32.600 -0.377 0.000 0.818 226 M HN 0.165 nan 8.290 nan 0.000 0.450 227 T N -0.018 114.480 114.554 -0.092 0.000 2.962 227 T HA -0.051 4.318 4.350 0.032 0.000 0.270 227 T C 1.591 176.449 174.700 0.264 0.000 1.088 227 T CA 0.726 62.841 62.100 0.025 0.000 1.127 227 T CB -0.405 68.382 68.868 -0.135 0.000 0.883 227 T HN 0.203 nan 8.240 nan 0.000 0.493 228 L N 1.258 122.602 121.223 0.203 0.000 2.362 228 L HA 0.308 4.667 4.340 0.032 0.000 0.219 228 L C 1.576 178.601 176.870 0.258 0.000 1.134 228 L CA 0.981 55.983 54.840 0.271 0.000 0.807 228 L CB -1.110 41.060 42.059 0.185 0.000 0.927 228 L HN 0.412 nan 8.230 nan 0.000 0.447 229 R N -1.030 119.604 120.500 0.222 0.000 3.525 229 R HA -0.160 4.199 4.340 0.032 0.000 0.276 229 R C 0.513 176.881 176.300 0.114 0.000 1.116 229 R CA 0.425 56.632 56.100 0.178 0.000 0.745 229 R CB -1.780 28.666 30.300 0.243 0.000 1.185 229 R HN 0.572 nan 8.270 nan 0.000 0.454 230 G N 0.244 109.109 108.800 0.107 0.000 2.568 230 G HA2 0.636 4.616 3.960 0.032 0.000 0.293 230 G HA3 0.636 4.616 3.960 0.032 0.000 0.293 230 G C -2.455 172.483 174.900 0.063 0.000 1.347 230 G CA -0.981 44.154 45.100 0.058 0.000 1.039 230 G HN 0.151 nan 8.290 nan 0.000 0.523 231 P HA 0.135 nan 4.420 nan 0.000 0.273 231 P C -0.557 176.773 177.300 0.050 0.000 1.250 231 P CA -0.466 62.635 63.100 0.000 0.000 0.793 231 P CB 0.931 32.596 31.700 -0.057 0.000 1.011 232 R N 0.437 120.920 120.500 -0.028 0.000 2.296 232 R HA 0.520 4.880 4.340 0.032 0.000 0.323 232 R C 0.127 176.439 176.300 0.020 0.000 1.067 232 R CA 0.269 56.305 56.100 -0.107 0.000 0.946 232 R CB -0.625 29.476 30.300 -0.333 0.000 0.991 232 R HN 0.829 nan 8.270 nan 0.000 0.448 233 G N 1.507 110.435 108.800 0.213 0.000 2.320 233 G HA2 0.405 4.384 3.960 0.032 0.000 0.296 233 G HA3 0.405 4.384 3.960 0.032 0.000 0.296 233 G C -1.312 173.680 174.900 0.154 0.000 1.306 233 G CA -0.416 44.766 45.100 0.137 0.000 0.836 233 G HN 0.773 nan 8.290 nan 0.000 0.517 234 G N -1.445 107.411 108.800 0.094 0.000 2.788 234 G HA2 0.831 4.810 3.960 0.032 0.000 0.293 234 G HA3 0.831 4.810 3.960 0.032 0.000 0.293 234 G C -0.841 174.092 174.900 0.055 0.000 1.305 234 G CA -0.443 44.691 45.100 0.056 0.000 1.005 234 G HN 1.161 nan 8.290 nan 0.000 0.496 235 M N -0.347 119.267 119.600 0.024 0.000 2.490 235 M HA 0.584 5.084 4.480 0.032 0.000 0.286 235 M C -2.149 174.134 176.300 -0.029 0.000 1.185 235 M CA -0.598 54.716 55.300 0.023 0.000 0.912 235 M CB 2.183 34.819 32.600 0.061 0.000 1.744 235 M HN 0.403 nan 8.290 nan 0.000 0.494 236 I N 4.485 125.047 120.570 -0.013 0.000 2.465 236 I HA 0.497 4.686 4.170 0.032 0.000 0.291 236 I C -1.239 174.872 176.117 -0.010 0.000 1.014 236 I CA -0.709 60.586 61.300 -0.007 0.000 1.093 236 I CB 2.035 40.060 38.000 0.042 0.000 1.267 236 I HN 0.589 nan 8.210 nan 0.000 0.431 237 L N 5.938 127.146 121.223 -0.024 0.000 2.334 237 L HA 0.808 5.167 4.340 0.032 0.000 0.273 237 L C -0.527 176.391 176.870 0.080 0.000 1.013 237 L CA -0.630 54.202 54.840 -0.013 0.000 0.816 237 L CB 1.901 43.899 42.059 -0.102 0.000 1.278 237 L HN 0.814 nan 8.230 nan 0.000 0.431 238 C N -0.407 118.974 119.300 0.135 0.000 3.306 238 C HA 0.360 4.839 4.460 0.032 0.000 0.335 238 C C -0.643 174.444 174.990 0.161 0.000 1.382 238 C CA -1.038 58.081 59.018 0.168 0.000 1.254 238 C CB 1.766 29.701 27.740 0.325 0.000 1.555 238 C HN 0.853 nan 8.230 nan 0.000 0.463 239 Q N 0.668 120.560 119.800 0.154 0.000 2.421 239 Q HA 0.086 4.445 4.340 0.032 0.000 0.255 239 Q C 1.004 177.016 176.000 0.020 0.000 1.013 239 Q CA 0.352 56.192 55.803 0.061 0.000 0.895 239 Q CB 1.003 29.741 28.738 0.001 0.000 1.271 239 Q HN 0.861 nan 8.270 nan 0.000 0.460 240 E N 1.469 121.647 120.200 -0.038 0.000 2.130 240 E HA -0.268 4.101 4.350 0.032 0.000 0.196 240 E C 1.712 178.206 176.600 -0.177 0.000 0.998 240 E CA 1.945 58.294 56.400 -0.084 0.000 0.806 240 E CB 0.118 29.776 29.700 -0.070 0.000 0.738 240 E HN 0.533 nan 8.360 nan 0.000 0.459 241 Q N -0.724 118.900 119.800 -0.294 0.000 2.234 241 Q HA -0.176 4.183 4.340 0.032 0.000 0.206 241 Q C 1.414 177.112 176.000 -0.503 0.000 0.980 241 Q CA 1.327 56.855 55.803 -0.458 0.000 0.869 241 Q CB -0.532 27.791 28.738 -0.691 0.000 0.912 241 Q HN 0.438 nan 8.270 nan 0.000 0.436 242 F N 0.148 120.095 119.950 -0.005 0.000 2.678 242 F HA 0.468 5.014 4.527 0.032 0.000 0.305 242 F C 2.133 177.928 175.800 -0.010 0.000 1.090 242 F CA -0.230 57.803 58.000 0.055 0.000 1.272 242 F CB -0.299 38.825 39.000 0.207 0.000 1.060 242 F HN 0.035 nan 8.300 nan 0.000 0.576 243 A N 0.953 123.738 122.820 -0.058 0.000 1.884 243 A HA -0.297 4.042 4.320 0.032 0.000 0.219 243 A C 2.369 179.757 177.584 -0.326 0.000 1.197 243 A CA 2.308 54.085 52.037 -0.433 0.000 0.637 243 A CB -0.653 17.886 19.000 -0.769 0.000 0.827 243 A HN 0.363 nan 8.150 nan 0.000 0.450 244 K N -0.699 119.592 120.400 -0.181 0.000 2.057 244 K HA -0.185 4.154 4.320 0.032 0.000 0.206 244 K C 2.261 178.855 176.600 -0.010 0.000 1.050 244 K CA 1.600 57.826 56.287 -0.102 0.000 0.935 244 K CB -0.213 32.251 32.500 -0.060 0.000 0.715 244 K HN 0.646 nan 8.250 nan 0.000 0.439 245 Q N 0.252 120.081 119.800 0.048 0.000 2.124 245 Q HA -0.117 4.242 4.340 0.032 0.000 0.202 245 Q C 2.061 178.123 176.000 0.102 0.000 0.977 245 Q CA 1.125 56.980 55.803 0.088 0.000 0.850 245 Q CB 0.027 28.839 28.738 0.123 0.000 0.901 245 Q HN 0.314 nan 8.270 nan 0.000 0.429 246 I N 1.132 121.775 120.570 0.123 0.000 2.252 246 I HA -0.211 3.978 4.170 0.032 0.000 0.245 246 I C 1.425 177.626 176.117 0.140 0.000 1.102 246 I CA 1.287 62.667 61.300 0.134 0.000 1.385 246 I CB -0.798 37.328 38.000 0.211 0.000 1.064 246 I HN 0.205 nan 8.210 nan 0.000 0.414 247 D N 1.048 121.500 120.400 0.087 0.000 2.117 247 D HA -0.163 4.496 4.640 0.032 0.000 0.197 247 D C 2.197 178.646 176.300 0.248 0.000 0.987 247 D CA 1.214 55.245 54.000 0.051 0.000 0.829 247 D CB -0.074 40.479 40.800 -0.412 0.000 0.961 247 D HN 0.299 nan 8.370 nan 0.000 0.460 248 K N 0.420 120.925 120.400 0.175 0.000 2.155 248 K HA 0.051 4.391 4.320 0.032 0.000 0.203 248 K C 2.059 178.769 176.600 0.184 0.000 1.052 248 K CA 0.839 57.238 56.287 0.186 0.000 0.948 248 K CB 0.040 32.617 32.500 0.127 0.000 0.728 248 K HN 0.011 nan 8.250 nan 0.000 0.448 249 A N 1.567 124.508 122.820 0.201 0.000 1.902 249 A HA -0.148 4.192 4.320 0.032 0.000 0.217 249 A C 2.041 179.688 177.584 0.106 0.000 1.181 249 A CA 1.152 53.346 52.037 0.262 0.000 0.623 249 A CB -0.360 18.798 19.000 0.263 0.000 0.818 249 A HN 0.084 nan 8.150 nan 0.000 0.443 250 I N -2.696 117.959 120.570 0.142 0.000 2.202 250 I HA -0.003 4.186 4.170 0.032 0.000 0.242 250 I C 0.527 176.745 176.117 0.169 0.000 1.091 250 I CA 1.371 62.744 61.300 0.122 0.000 1.368 250 I CB -0.550 37.569 38.000 0.198 0.000 1.058 250 I HN 0.367 nan 8.210 nan 0.000 0.410 251 F N 2.960 122.986 119.950 0.126 0.000 3.051 251 F HA 0.390 4.938 4.527 0.035 0.000 0.363 251 F C -2.523 173.362 175.800 0.143 0.000 1.257 251 F CA -1.376 56.670 58.000 0.076 0.000 1.126 251 F CB 1.762 40.760 39.000 -0.004 0.000 1.476 251 F HN -0.222 nan 8.300 nan 0.000 0.576 252 P HA 0.249 nan 4.420 nan 0.000 0.291 252 P C 1.022 178.035 177.300 -0.477 0.000 1.388 252 P CA 0.306 62.687 63.100 -1.199 0.000 1.061 252 P CB 1.110 32.177 31.700 -1.056 0.000 1.534 253 G N 2.612 111.275 108.800 -0.227 0.000 2.604 253 G HA2 -0.199 3.780 3.960 0.032 0.000 0.216 253 G HA3 -0.199 3.780 3.960 0.032 0.000 0.216 253 G C 1.279 175.875 174.900 -0.506 0.000 1.265 253 G CA 1.363 46.327 45.100 -0.226 0.000 0.804 253 G HN 0.399 nan 8.290 nan 0.000 0.579 254 I N -3.293 117.034 120.570 -0.406 0.000 4.288 254 I HA 0.429 4.618 4.170 0.032 0.000 0.331 254 I C 0.836 176.846 176.117 -0.179 0.000 1.322 254 I CA -0.185 60.884 61.300 -0.385 0.000 1.149 254 I CB 0.467 38.215 38.000 -0.419 0.000 1.112 254 I HN 0.105 nan 8.210 nan 0.000 0.403 255 Q N 1.006 120.759 119.800 -0.078 0.000 2.852 255 Q HA 0.701 5.060 4.340 0.032 0.000 0.262 255 Q C 0.003 176.112 176.000 0.182 0.000 1.051 255 Q CA -0.455 55.355 55.803 0.011 0.000 0.894 255 Q CB 1.981 30.632 28.738 -0.144 0.000 1.381 255 Q HN 0.284 nan 8.270 nan 0.000 0.501 256 G N -0.681 108.255 108.800 0.228 0.000 3.392 256 G HA2 0.490 4.469 3.960 0.032 0.000 0.185 256 G HA3 0.490 4.469 3.960 0.032 0.000 0.185 256 G C -0.492 174.467 174.900 0.099 0.000 1.206 256 G CA -0.188 45.089 45.100 0.295 0.000 0.776 256 G HN 0.573 nan 8.290 nan 0.000 0.697 257 G N 1.657 110.543 108.800 0.144 0.000 2.398 257 G HA2 0.493 4.472 3.960 0.032 0.000 0.246 257 G HA3 0.493 4.472 3.960 0.032 0.000 0.246 257 G C -2.100 172.778 174.900 -0.037 0.000 1.289 257 G CA -0.346 44.753 45.100 -0.002 0.000 0.869 257 G HN 0.386 nan 8.290 nan 0.000 0.543 258 P HA 0.173 nan 4.420 nan 0.000 0.274 258 P C -0.133 177.161 177.300 -0.009 0.000 1.237 258 P CA -0.455 62.622 63.100 -0.039 0.000 0.793 258 P CB 1.187 32.807 31.700 -0.133 0.000 0.977 259 L N 2.602 123.843 121.223 0.030 0.000 2.356 259 L HA 0.142 4.501 4.340 0.032 0.000 0.282 259 L C 1.827 178.626 176.870 -0.118 0.000 1.132 259 L CA -0.480 54.316 54.840 -0.073 0.000 0.923 259 L CB -0.166 41.752 42.059 -0.234 0.000 1.278 259 L HN 0.224 nan 8.230 nan 0.000 0.436 260 M N 0.743 120.358 119.600 0.024 0.000 2.213 260 M HA -0.151 4.348 4.480 0.032 0.000 0.263 260 M C 2.165 178.489 176.300 0.040 0.000 1.062 260 M CA 1.727 57.039 55.300 0.019 0.000 1.105 260 M CB -1.188 31.426 32.600 0.024 0.000 1.385 260 M HN 0.689 nan 8.290 nan 0.000 0.417 261 H N -1.371 117.664 119.070 -0.058 0.000 2.389 261 H HA 0.012 4.576 4.556 0.012 0.000 0.299 261 H C 1.949 177.243 175.328 -0.057 0.000 1.081 261 H CA 1.131 57.147 56.048 -0.053 0.000 1.345 261 H CB -0.822 28.909 29.762 -0.052 0.000 1.393 261 H HN 0.134 nan 8.280 nan 0.000 0.520 262 V N 1.207 120.803 119.914 -0.529 0.000 2.379 262 V HA -0.179 3.960 4.120 0.032 0.000 0.245 262 V C 2.498 178.465 176.094 -0.211 0.000 1.044 262 V CA 1.629 63.718 62.300 -0.353 0.000 1.036 262 V CB -0.456 31.142 31.823 -0.375 0.000 0.664 262 V HN 0.402 nan 8.190 nan 0.000 0.453 263 I N 0.676 121.142 120.570 -0.173 0.000 2.361 263 I HA -0.211 3.979 4.170 0.032 0.000 0.251 263 I C 2.618 178.652 176.117 -0.137 0.000 1.133 263 I CA 1.356 62.579 61.300 -0.128 0.000 1.413 263 I CB -0.481 37.475 38.000 -0.073 0.000 1.073 263 I HN 0.279 nan 8.210 nan 0.000 0.424 264 A N 0.634 123.395 122.820 -0.099 0.000 1.930 264 A HA -0.109 4.231 4.320 0.032 0.000 0.217 264 A C 2.527 180.035 177.584 -0.126 0.000 1.175 264 A CA 1.672 53.659 52.037 -0.083 0.000 0.627 264 A CB -0.697 18.285 19.000 -0.029 0.000 0.815 264 A HN 0.413 nan 8.150 nan 0.000 0.443 265 A N -0.157 122.581 122.820 -0.137 0.000 1.930 265 A HA -0.108 4.232 4.320 0.032 0.000 0.217 265 A C 2.078 179.506 177.584 -0.260 0.000 1.175 265 A CA 1.671 53.619 52.037 -0.148 0.000 0.627 265 A CB -0.363 18.572 19.000 -0.110 0.000 0.815 265 A HN 0.541 nan 8.150 nan 0.000 0.443 266 K N -0.141 120.038 120.400 -0.368 0.000 2.026 266 K HA -0.090 4.249 4.320 0.032 0.000 0.208 266 K C 2.331 178.268 176.600 -1.105 0.000 1.048 266 K CA 1.224 57.052 56.287 -0.765 0.000 0.929 266 K CB -0.366 31.731 32.500 -0.672 0.000 0.713 266 K HN 0.423 nan 8.250 nan 0.000 0.439 267 A N 1.069 123.537 122.820 -0.586 0.000 1.908 267 A HA -0.145 4.194 4.320 0.032 0.000 0.218 267 A C 2.392 179.845 177.584 -0.218 0.000 1.181 267 A CA 1.586 53.426 52.037 -0.329 0.000 0.627 267 A CB -0.731 18.197 19.000 -0.120 0.000 0.818 267 A HN 0.088 nan 8.150 nan 0.000 0.445 268 V N -0.279 119.518 119.914 -0.196 0.000 2.343 268 V HA -0.235 3.905 4.120 0.032 0.000 0.247 268 V C 3.034 179.063 176.094 -0.109 0.000 1.051 268 V CA 1.940 64.172 62.300 -0.113 0.000 1.036 268 V CB -1.191 30.580 31.823 -0.087 0.000 0.654 268 V HN 0.619 nan 8.190 nan 0.000 0.451 269 A N -0.652 122.061 122.820 -0.178 0.000 1.969 269 A HA -0.129 4.210 4.320 0.032 0.000 0.218 269 A C 2.121 179.708 177.584 0.005 0.000 1.169 269 A CA 1.519 53.497 52.037 -0.098 0.000 0.635 269 A CB -0.678 18.270 19.000 -0.086 0.000 0.810 269 A HN 0.551 nan 8.150 nan 0.000 0.445 270 F N -0.059 119.829 119.950 -0.104 0.000 2.186 270 F HA -0.081 4.472 4.527 0.044 0.000 0.299 270 F C 2.676 178.386 175.800 -0.150 0.000 1.090 270 F CA 0.212 58.131 58.000 -0.135 0.000 1.307 270 F CB -0.419 38.535 39.000 -0.077 0.000 1.019 270 F HN 0.375 nan 8.300 nan 0.000 0.489 271 G N 0.304 109.143 108.800 0.065 0.000 2.421 271 G HA2 -0.229 3.750 3.960 0.032 0.000 0.216 271 G HA3 -0.229 3.750 3.960 0.032 0.000 0.216 271 G C 1.361 176.247 174.900 -0.022 0.000 1.171 271 G CA 0.751 45.858 45.100 0.012 0.000 0.775 271 G HN 0.316 nan 8.290 nan 0.000 0.543 272 E N 0.450 120.626 120.200 -0.040 0.000 2.077 272 E HA -0.044 4.326 4.350 0.032 0.000 0.193 272 E C 2.860 179.386 176.600 -0.123 0.000 0.989 272 E CA 0.833 57.209 56.400 -0.040 0.000 0.800 272 E CB -0.185 29.500 29.700 -0.025 0.000 0.746 272 E HN 0.411 nan 8.360 nan 0.000 0.452 273 A N 0.670 123.272 122.820 -0.363 0.000 2.067 273 A HA -0.104 4.235 4.320 0.032 0.000 0.219 273 A C 2.030 179.453 177.584 -0.269 0.000 1.158 273 A CA 0.836 52.416 52.037 -0.761 0.000 0.661 273 A CB -0.364 18.092 19.000 -0.907 0.000 0.801 273 A HN 0.146 nan 8.150 nan 0.000 0.452 274 L N -0.707 120.433 121.223 -0.138 0.000 2.395 274 L HA -0.033 4.326 4.340 0.032 0.000 0.218 274 L C 1.022 177.893 176.870 0.001 0.000 1.130 274 L CA 0.122 54.920 54.840 -0.071 0.000 0.826 274 L CB -0.252 41.772 42.059 -0.058 0.000 0.941 274 L HN 0.467 nan 8.230 nan 0.000 0.451 275 Q N -0.300 119.522 119.800 0.037 0.000 2.317 275 Q HA 0.004 4.363 4.340 0.032 0.000 0.229 275 Q C 0.432 176.504 176.000 0.119 0.000 0.984 275 Q CA -0.552 55.294 55.803 0.071 0.000 0.911 275 Q CB 0.898 29.680 28.738 0.073 0.000 1.217 275 Q HN -0.009 nan 8.270 nan 0.000 0.501 276 D N 1.002 121.458 120.400 0.094 0.000 2.144 276 D HA -0.164 4.495 4.640 0.032 0.000 0.199 276 D C 1.226 177.597 176.300 0.118 0.000 0.984 276 D CA 1.368 55.425 54.000 0.094 0.000 0.834 276 D CB -0.075 40.763 40.800 0.064 0.000 0.955 276 D HN 0.626 nan 8.370 nan 0.000 0.465 277 D N -0.121 120.354 120.400 0.126 0.000 2.224 277 D HA -0.167 4.492 4.640 0.032 0.000 0.205 277 D C 1.978 178.390 176.300 0.188 0.000 0.965 277 D CA 0.197 54.274 54.000 0.128 0.000 0.852 277 D CB -1.004 39.857 40.800 0.102 0.000 0.947 277 D HN 0.237 nan 8.370 nan 0.000 0.494 278 F N 1.815 121.826 119.950 0.101 0.000 2.171 278 F HA -0.062 4.484 4.527 0.031 0.000 0.300 278 F C 2.017 177.928 175.800 0.185 0.000 1.090 278 F CA 1.328 59.426 58.000 0.164 0.000 1.293 278 F CB 0.044 39.113 39.000 0.115 0.000 1.013 278 F HN -0.192 nan 8.300 nan 0.000 0.486 279 K N 0.208 120.745 120.400 0.229 0.000 2.097 279 K HA -0.128 4.212 4.320 0.032 0.000 0.206 279 K C 2.274 178.873 176.600 -0.001 0.000 1.049 279 K CA 1.187 57.532 56.287 0.097 0.000 0.933 279 K CB -0.596 31.972 32.500 0.113 0.000 0.717 279 K HN 0.365 nan 8.250 nan 0.000 0.442 280 A N 1.050 123.892 122.820 0.036 0.000 1.930 280 A HA -0.184 4.155 4.320 0.032 0.000 0.217 280 A C 2.090 179.668 177.584 -0.010 0.000 1.175 280 A CA 1.083 53.133 52.037 0.021 0.000 0.627 280 A CB -0.670 18.360 19.000 0.051 0.000 0.815 280 A HN 0.414 nan 8.150 nan 0.000 0.443 281 Y N 0.898 121.116 120.300 -0.135 0.000 2.097 281 Y HA -0.127 4.445 4.550 0.037 0.000 0.282 281 Y C 2.585 178.333 175.900 -0.254 0.000 1.152 281 Y CA 1.410 59.394 58.100 -0.194 0.000 1.136 281 Y CB -0.788 37.511 38.460 -0.268 0.000 0.975 281 Y HN 0.283 nan 8.280 nan 0.000 0.498 282 A N 0.590 122.976 122.820 -0.724 0.000 1.908 282 A HA -0.268 4.071 4.320 0.032 0.000 0.218 282 A C 2.285 179.646 177.584 -0.373 0.000 1.181 282 A CA 2.184 53.817 52.037 -0.674 0.000 0.627 282 A CB -0.910 17.854 19.000 -0.394 0.000 0.818 282 A HN 0.583 nan 8.150 nan 0.000 0.445 283 K N -0.166 120.099 120.400 -0.226 0.000 2.032 283 K HA -0.173 4.166 4.320 0.032 0.000 0.209 283 K C 2.155 178.678 176.600 -0.129 0.000 1.048 283 K CA 1.823 58.037 56.287 -0.121 0.000 0.927 283 K CB -0.257 32.205 32.500 -0.064 0.000 0.712 283 K HN 0.442 nan 8.250 nan 0.000 0.441 284 R N 0.115 120.523 120.500 -0.154 0.000 2.120 284 R HA -0.083 4.276 4.340 0.032 0.000 0.234 284 R C 2.259 178.475 176.300 -0.141 0.000 1.123 284 R CA 1.287 57.324 56.100 -0.106 0.000 0.975 284 R CB -0.374 29.900 30.300 -0.043 0.000 0.866 284 R HN 0.078 nan 8.270 nan 0.000 0.446 285 V N 0.454 120.194 119.914 -0.290 0.000 2.255 285 V HA -0.236 3.903 4.120 0.032 0.000 0.247 285 V C 2.313 178.353 176.094 -0.090 0.000 1.051 285 V CA 1.766 63.926 62.300 -0.234 0.000 1.018 285 V CB -0.327 31.263 31.823 -0.389 0.000 0.641 285 V HN 0.125 nan 8.190 nan 0.000 0.445 286 V N -0.031 119.834 119.914 -0.082 0.000 2.358 286 V HA -0.215 3.925 4.120 0.032 0.000 0.246 286 V C 2.273 178.355 176.094 -0.020 0.000 1.047 286 V CA 2.020 64.307 62.300 -0.022 0.000 1.035 286 V CB -0.693 31.124 31.823 -0.010 0.000 0.658 286 V HN 0.545 nan 8.190 nan 0.000 0.452 287 D N 0.358 120.740 120.400 -0.030 0.000 2.104 287 D HA -0.151 4.509 4.640 0.032 0.000 0.194 287 D C 2.081 178.378 176.300 -0.005 0.000 0.994 287 D CA 1.252 55.243 54.000 -0.015 0.000 0.830 287 D CB -0.419 40.372 40.800 -0.015 0.000 0.959 287 D HN 0.333 nan 8.370 nan 0.000 0.452 288 N N 0.594 119.292 118.700 -0.003 0.000 2.104 288 N HA -0.111 4.649 4.740 0.032 0.000 0.190 288 N C 1.699 177.216 175.510 0.012 0.000 1.024 288 N CA 1.326 54.386 53.050 0.017 0.000 0.853 288 N CB -0.405 38.102 38.487 0.032 0.000 1.008 288 N HN 0.138 nan 8.380 nan 0.000 0.424 289 A N 0.778 123.599 122.820 0.001 0.000 1.902 289 A HA -0.118 4.222 4.320 0.032 0.000 0.217 289 A C 2.219 179.794 177.584 -0.015 0.000 1.181 289 A CA 1.476 53.507 52.037 -0.009 0.000 0.623 289 A CB -0.332 18.661 19.000 -0.011 0.000 0.818 289 A HN 0.111 nan 8.150 nan 0.000 0.443 290 K N -0.454 119.940 120.400 -0.011 0.000 2.026 290 K HA -0.102 4.237 4.320 0.032 0.000 0.208 290 K C 2.200 178.797 176.600 -0.005 0.000 1.048 290 K CA 1.597 57.877 56.287 -0.011 0.000 0.929 290 K CB -0.265 32.230 32.500 -0.008 0.000 0.713 290 K HN 0.366 nan 8.250 nan 0.000 0.439 291 R N 0.555 121.056 120.500 0.002 0.000 2.080 291 R HA -0.102 4.257 4.340 0.032 0.000 0.236 291 R C 2.018 178.324 176.300 0.011 0.000 1.137 291 R CA 1.433 57.538 56.100 0.008 0.000 0.943 291 R CB -0.981 29.327 30.300 0.014 0.000 0.846 291 R HN 0.191 nan 8.270 nan 0.000 0.431 292 L N 0.252 121.481 121.223 0.010 0.000 2.079 292 L HA -0.029 4.330 4.340 0.032 0.000 0.210 292 L C 2.103 178.972 176.870 -0.002 0.000 1.081 292 L CA 2.225 57.069 54.840 0.008 0.000 0.752 292 L CB -1.000 41.061 42.059 0.003 0.000 0.896 292 L HN 0.322 nan 8.230 nan 0.000 0.433 293 A N -1.888 120.925 122.820 -0.011 0.000 1.858 293 A HA -0.219 4.120 4.320 0.032 0.000 0.216 293 A C 2.504 180.093 177.584 0.007 0.000 1.190 293 A CA 1.923 53.951 52.037 -0.015 0.000 0.617 293 A CB -1.183 17.800 19.000 -0.028 0.000 0.827 293 A HN 0.472 nan 8.150 nan 0.000 0.443 294 S N -0.586 115.118 115.700 0.007 0.000 2.359 294 S HA -0.122 4.368 4.470 0.032 0.000 0.224 294 S C 2.211 176.829 174.600 0.030 0.000 1.035 294 S CA 1.687 59.896 58.200 0.015 0.000 1.018 294 S CB -0.474 62.732 63.200 0.009 0.000 0.876 294 S HN 0.820 nan 8.310 nan 0.000 0.448 295 A N 0.732 123.572 122.820 0.032 0.000 1.933 295 A HA 0.040 4.380 4.320 0.032 0.000 0.218 295 A C 2.147 179.782 177.584 0.086 0.000 1.175 295 A CA 1.222 53.287 52.037 0.047 0.000 0.628 295 A CB -0.621 18.402 19.000 0.038 0.000 0.814 295 A HN 0.548 nan 8.150 nan 0.000 0.444 296 L N -0.923 120.355 121.223 0.091 0.000 2.093 296 L HA -0.218 4.141 4.340 0.032 0.000 0.208 296 L C 2.841 179.867 176.870 0.260 0.000 1.085 296 L CA 1.402 56.359 54.840 0.194 0.000 0.755 296 L CB -0.451 41.643 42.059 0.058 0.000 0.904 296 L HN 0.464 nan 8.230 nan 0.000 0.435 297 Q N -0.543 119.338 119.800 0.134 0.000 2.167 297 Q HA -0.213 4.146 4.340 0.032 0.000 0.202 297 Q C 1.964 177.998 176.000 0.056 0.000 0.970 297 Q CA 1.341 57.201 55.803 0.095 0.000 0.855 297 Q CB -0.338 28.429 28.738 0.049 0.000 0.911 297 Q HN 0.499 nan 8.270 nan 0.000 0.438 298 N N 0.736 119.468 118.700 0.052 0.000 2.205 298 N HA -0.185 4.575 4.740 0.032 0.000 0.186 298 N C 1.091 176.610 175.510 0.015 0.000 1.015 298 N CA 0.876 53.942 53.050 0.027 0.000 0.862 298 N CB 0.228 38.732 38.487 0.028 0.000 0.986 298 N HN 0.213 nan 8.380 nan 0.000 0.429 299 E N -0.303 119.925 120.200 0.046 0.000 2.511 299 E HA 0.014 4.384 4.350 0.032 0.000 0.196 299 E C 1.033 177.511 176.600 -0.202 0.000 1.066 299 E CA 0.596 56.987 56.400 -0.014 0.000 0.871 299 E CB -0.051 29.734 29.700 0.142 0.000 0.863 299 E HN 0.595 nan 8.360 nan 0.000 0.520 300 G N 0.851 109.550 108.800 -0.168 0.000 2.163 300 G HA2 -0.236 3.743 3.960 0.032 0.000 0.213 300 G HA3 -0.236 3.743 3.960 0.032 0.000 0.213 300 G C -0.079 174.631 174.900 -0.317 0.000 0.991 300 G CA -0.364 44.587 45.100 -0.249 0.000 0.653 300 G HN 0.136 nan 8.290 nan 0.000 0.518 301 F N 1.689 121.632 119.950 -0.011 0.000 2.384 301 F HA 0.588 5.135 4.527 0.033 0.000 0.338 301 F C 1.147 176.933 175.800 -0.023 0.000 1.103 301 F CA -0.087 57.904 58.000 -0.015 0.000 1.157 301 F CB 1.490 40.480 39.000 -0.016 0.000 1.167 301 F HN -0.082 nan 8.300 nan 0.000 0.529 302 T N 4.870 119.529 114.554 0.176 0.000 2.806 302 T HA 0.523 4.892 4.350 0.032 0.000 0.290 302 T C -0.150 174.577 174.700 0.045 0.000 0.966 302 T CA -0.455 61.690 62.100 0.075 0.000 1.060 302 T CB 0.303 69.196 68.868 0.042 0.000 0.927 302 T HN 0.271 nan 8.240 nan 0.000 0.485 303 L N 3.076 124.292 121.223 -0.012 0.000 2.317 303 L HA 0.497 4.856 4.340 0.032 0.000 0.281 303 L C 0.134 176.903 176.870 -0.168 0.000 1.024 303 L CA -1.294 53.505 54.840 -0.070 0.000 0.810 303 L CB 1.558 43.580 42.059 -0.063 0.000 1.240 303 L HN 0.312 nan 8.230 nan 0.000 0.427 304 V N 2.870 122.652 119.914 -0.220 0.000 2.540 304 V HA -0.048 4.091 4.120 0.032 0.000 0.297 304 V C 1.085 176.970 176.094 -0.348 0.000 1.024 304 V CA 1.293 63.334 62.300 -0.432 0.000 1.105 304 V CB 0.890 32.554 31.823 -0.266 0.000 0.938 304 V HN 1.169 nan 8.190 nan 0.000 0.482 305 S N 2.578 118.012 115.700 -0.443 0.000 2.929 305 S HA -0.194 4.295 4.470 0.032 0.000 0.271 305 S C 1.258 175.800 174.600 -0.096 0.000 1.295 305 S CA 1.062 59.178 58.200 -0.142 0.000 1.277 305 S CB -1.977 61.174 63.200 -0.081 0.000 1.557 305 S HN 2.810 nan 8.310 nan 0.000 0.666 306 G N -0.276 108.451 108.800 -0.122 0.000 2.160 306 G HA2 0.342 4.321 3.960 0.032 0.000 0.251 306 G HA3 0.342 4.321 3.960 0.032 0.000 0.251 306 G C 0.993 175.859 174.900 -0.057 0.000 1.008 306 G CA 0.598 45.659 45.100 -0.066 0.000 0.724 306 G HN 2.712 nan 8.290 nan 0.000 0.514 307 G N -2.683 106.071 108.800 -0.077 0.000 2.334 307 G HA2 0.640 4.620 3.960 0.032 0.000 0.249 307 G HA3 0.640 4.620 3.960 0.032 0.000 0.249 307 G C -0.535 174.314 174.900 -0.086 0.000 1.327 307 G CA 0.827 45.889 45.100 -0.064 0.000 0.979 307 G HN 1.935 nan 8.290 nan 0.000 0.471 308 T N -0.681 113.829 114.554 -0.073 0.000 2.932 308 T HA 0.529 4.899 4.350 0.032 0.000 0.318 308 T C -0.535 174.132 174.700 -0.055 0.000 1.265 308 T CA 0.778 62.827 62.100 -0.085 0.000 1.036 308 T CB 1.705 70.521 68.868 -0.085 0.000 1.209 308 T HN 0.885 nan 8.240 nan 0.000 0.484 309 D N 1.809 122.179 120.400 -0.049 0.000 2.417 309 D HA 0.186 4.845 4.640 0.032 0.000 0.207 309 D C 0.763 177.091 176.300 0.046 0.000 1.075 309 D CA 0.099 54.091 54.000 -0.013 0.000 0.851 309 D CB 0.270 41.051 40.800 -0.031 0.000 0.976 309 D HN 0.514 nan 8.370 nan 0.000 0.505 310 N N -0.313 118.420 118.700 0.055 0.000 3.591 310 N HA 0.031 4.791 4.740 0.032 0.000 0.324 310 N C 0.891 176.488 175.510 0.144 0.000 1.506 310 N CA -0.344 52.802 53.050 0.160 0.000 0.648 310 N CB -0.370 38.299 38.487 0.305 0.000 2.967 310 N HN -0.026 nan 8.380 nan 0.000 0.563 311 H N -0.754 118.334 119.070 0.029 0.000 2.539 311 H HA 0.366 4.942 4.556 0.033 0.000 0.269 311 H C 0.056 175.392 175.328 0.013 0.000 0.980 311 H CA -0.174 55.880 56.048 0.010 0.000 1.152 311 H CB -0.413 29.364 29.762 0.025 0.000 1.407 311 H HN 0.517 nan 8.280 nan 0.000 0.564 312 L N -0.029 120.887 121.223 -0.512 0.000 2.327 312 L HA 0.696 5.055 4.340 0.032 0.000 0.258 312 L C -1.245 175.480 176.870 -0.241 0.000 1.024 312 L CA -1.630 52.945 54.840 -0.441 0.000 0.825 312 L CB 2.253 43.915 42.059 -0.661 0.000 1.386 312 L HN 0.030 nan 8.230 nan 0.000 0.417 313 L N -0.107 121.006 121.223 -0.184 0.000 2.415 313 L HA 0.768 5.127 4.340 0.032 0.000 0.256 313 L C -1.717 175.078 176.870 -0.125 0.000 1.010 313 L CA -0.781 53.974 54.840 -0.142 0.000 0.826 313 L CB 2.055 44.046 42.059 -0.114 0.000 1.405 313 L HN 0.709 nan 8.230 nan 0.000 0.410 314 L N 2.258 123.413 121.223 -0.115 0.000 2.343 314 L HA 0.633 4.992 4.340 0.032 0.000 0.278 314 L C -0.939 175.875 176.870 -0.093 0.000 0.996 314 L CA -0.918 53.865 54.840 -0.095 0.000 0.831 314 L CB 2.097 44.108 42.059 -0.079 0.000 1.232 314 L HN 0.554 nan 8.230 nan 0.000 0.413 315 V N 2.495 122.354 119.914 -0.091 0.000 2.432 315 V HA 0.119 4.258 4.120 0.032 0.000 0.271 315 V C -0.004 176.075 176.094 -0.025 0.000 1.046 315 V CA -0.496 61.760 62.300 -0.075 0.000 0.945 315 V CB 1.472 33.202 31.823 -0.155 0.000 0.992 315 V HN 0.597 nan 8.190 nan 0.000 0.471 316 D N 4.726 125.129 120.400 0.005 0.000 2.339 316 D HA 0.213 4.872 4.640 0.032 0.000 0.241 316 D C 0.573 176.918 176.300 0.075 0.000 1.183 316 D CA -0.103 53.916 54.000 0.031 0.000 0.859 316 D CB 1.194 42.007 40.800 0.021 0.000 1.067 316 D HN 0.452 nan 8.370 nan 0.000 0.484 317 L N 3.713 124.981 121.223 0.074 0.000 2.612 317 L HA 0.195 4.555 4.340 0.032 0.000 0.230 317 L C 2.287 179.206 176.870 0.082 0.000 1.140 317 L CA -0.174 54.729 54.840 0.105 0.000 0.896 317 L CB -0.027 42.084 42.059 0.088 0.000 1.065 317 L HN 0.268 nan 8.230 nan 0.000 0.447 318 R N 0.688 121.226 120.500 0.065 0.000 2.091 318 R HA -0.167 4.192 4.340 0.032 0.000 0.238 318 R C -0.365 175.960 176.300 0.041 0.000 1.136 318 R CA 1.540 57.671 56.100 0.051 0.000 0.959 318 R CB -1.480 28.849 30.300 0.049 0.000 0.856 318 R HN 0.291 nan 8.270 nan 0.000 0.437 319 P HA -0.150 nan 4.420 nan 0.000 0.217 319 P C 0.548 177.852 177.300 0.006 0.000 1.148 319 P CA 1.343 64.453 63.100 0.016 0.000 0.828 319 P CB 0.127 31.832 31.700 0.007 0.000 0.783 320 Q N -1.251 118.566 119.800 0.028 0.000 2.280 320 Q HA 0.116 4.476 4.340 0.032 0.000 0.201 320 Q C 0.183 176.202 176.000 0.032 0.000 0.890 320 Q CA 0.103 55.918 55.803 0.021 0.000 0.947 320 Q CB -0.436 28.335 28.738 0.054 0.000 1.081 320 Q HN 0.092 nan 8.270 nan 0.000 0.502 321 Q N -0.369 119.451 119.800 0.033 0.000 2.457 321 Q HA -0.214 4.145 4.340 0.032 0.000 0.283 321 Q C -0.905 175.118 176.000 0.038 0.000 1.234 321 Q CA 0.804 56.626 55.803 0.032 0.000 0.877 321 Q CB -2.046 26.705 28.738 0.022 0.000 1.250 321 Q HN 0.413 nan 8.270 nan 0.000 0.481 322 L N 0.074 121.327 121.223 0.050 0.000 2.342 322 L HA 0.499 4.858 4.340 0.032 0.000 0.271 322 L C 0.984 177.883 176.870 0.048 0.000 1.008 322 L CA -0.747 54.124 54.840 0.052 0.000 0.818 322 L CB 1.806 43.906 42.059 0.067 0.000 1.296 322 L HN 0.079 nan 8.230 nan 0.000 0.427 323 T N -1.724 112.856 114.554 0.042 0.000 2.897 323 T HA 0.208 4.577 4.350 0.032 0.000 0.294 323 T C 1.237 175.958 174.700 0.034 0.000 1.004 323 T CA -0.120 62.003 62.100 0.039 0.000 1.106 323 T CB 1.607 70.497 68.868 0.037 0.000 0.949 323 T HN 0.739 nan 8.240 nan 0.000 0.520 324 G N 1.223 110.040 108.800 0.028 0.000 2.432 324 G HA2 -0.190 3.790 3.960 0.032 0.000 0.219 324 G HA3 -0.190 3.790 3.960 0.032 0.000 0.219 324 G C 1.331 176.242 174.900 0.019 0.000 1.135 324 G CA 0.772 45.882 45.100 0.016 0.000 0.767 324 G HN 0.856 nan 8.290 nan 0.000 0.550 325 K N -0.068 120.349 120.400 0.028 0.000 2.057 325 K HA -0.100 4.239 4.320 0.032 0.000 0.207 325 K C 2.464 179.082 176.600 0.029 0.000 1.049 325 K CA 1.769 58.076 56.287 0.033 0.000 0.931 325 K CB -0.310 32.217 32.500 0.046 0.000 0.714 325 K HN 0.257 nan 8.250 nan 0.000 0.440 326 T N 0.662 115.234 114.554 0.031 0.000 2.737 326 T HA -0.071 4.299 4.350 0.032 0.000 0.265 326 T C 1.895 176.612 174.700 0.028 0.000 1.038 326 T CA 1.281 63.400 62.100 0.030 0.000 1.144 326 T CB -0.315 68.573 68.868 0.033 0.000 0.866 326 T HN 0.425 nan 8.240 nan 0.000 0.434 327 A N 1.442 124.279 122.820 0.028 0.000 1.908 327 A HA -0.166 4.173 4.320 0.032 0.000 0.218 327 A C 2.209 179.799 177.584 0.011 0.000 1.181 327 A CA 2.007 54.058 52.037 0.023 0.000 0.627 327 A CB -0.653 18.356 19.000 0.015 0.000 0.818 327 A HN 0.649 nan 8.150 nan 0.000 0.445 328 E N -0.032 120.173 120.200 0.008 0.000 2.077 328 E HA -0.260 4.110 4.350 0.032 0.000 0.193 328 E C 2.080 178.688 176.600 0.013 0.000 0.989 328 E CA 1.574 57.978 56.400 0.006 0.000 0.800 328 E CB -0.164 29.541 29.700 0.008 0.000 0.746 328 E HN 0.656 nan 8.360 nan 0.000 0.452 329 K N 0.367 120.778 120.400 0.018 0.000 2.057 329 K HA -0.097 4.242 4.320 0.032 0.000 0.206 329 K C 2.151 178.763 176.600 0.019 0.000 1.050 329 K CA 1.160 57.459 56.287 0.019 0.000 0.935 329 K CB -0.107 32.406 32.500 0.022 0.000 0.715 329 K HN 0.128 nan 8.250 nan 0.000 0.439 330 V N 1.482 121.409 119.914 0.022 0.000 2.427 330 V HA -0.171 3.969 4.120 0.032 0.000 0.248 330 V C 2.080 178.187 176.094 0.022 0.000 1.051 330 V CA 1.374 63.688 62.300 0.024 0.000 1.048 330 V CB -0.165 31.675 31.823 0.029 0.000 0.666 330 V HN 0.335 nan 8.190 nan 0.000 0.456 331 L N 0.030 121.263 121.223 0.017 0.000 2.093 331 L HA -0.159 4.200 4.340 0.032 0.000 0.208 331 L C 2.335 179.214 176.870 0.015 0.000 1.085 331 L CA 2.164 57.012 54.840 0.013 0.000 0.755 331 L CB -0.626 41.433 42.059 0.000 0.000 0.904 331 L HN 0.445 nan 8.230 nan 0.000 0.435 332 D N 0.090 120.499 120.400 0.015 0.000 2.178 332 D HA -0.221 4.438 4.640 0.032 0.000 0.201 332 D C 1.992 178.302 176.300 0.018 0.000 0.980 332 D CA 1.109 55.119 54.000 0.016 0.000 0.842 332 D CB 0.161 40.971 40.800 0.016 0.000 0.948 332 D HN 0.298 nan 8.370 nan 0.000 0.472 333 E N -0.580 119.631 120.200 0.018 0.000 2.204 333 E HA -0.117 4.253 4.350 0.032 0.000 0.195 333 E C 1.864 178.475 176.600 0.019 0.000 0.990 333 E CA 1.106 57.517 56.400 0.018 0.000 0.821 333 E CB 0.193 29.904 29.700 0.018 0.000 0.750 333 E HN 0.417 nan 8.360 nan 0.000 0.477 334 V N -3.592 116.335 119.914 0.020 0.000 3.542 334 V HA 0.465 4.605 4.120 0.032 0.000 0.296 334 V C 0.997 177.105 176.094 0.023 0.000 1.364 334 V CA 0.382 62.695 62.300 0.022 0.000 1.118 334 V CB 0.136 31.973 31.823 0.024 0.000 0.972 334 V HN 0.236 nan 8.190 nan 0.000 0.430 335 G N 0.901 109.715 108.800 0.022 0.000 2.144 335 G HA2 -0.187 3.792 3.960 0.032 0.000 0.218 335 G HA3 -0.187 3.792 3.960 0.032 0.000 0.218 335 G C -0.213 174.703 174.900 0.028 0.000 0.988 335 G CA 0.154 45.268 45.100 0.024 0.000 0.659 335 G HN 0.604 nan 8.290 nan 0.000 0.522 336 I N 1.988 122.573 120.570 0.024 0.000 2.355 336 I HA 0.360 4.549 4.170 0.032 0.000 0.288 336 I C 0.036 176.162 176.117 0.015 0.000 0.999 336 I CA -0.622 60.692 61.300 0.023 0.000 1.163 336 I CB 1.872 39.885 38.000 0.021 0.000 1.316 336 I HN 0.009 nan 8.210 nan 0.000 0.454 337 T N 6.488 121.050 114.554 0.015 0.000 2.733 337 T HA 0.500 4.869 4.350 0.032 0.000 0.294 337 T C 0.064 174.764 174.700 0.001 0.000 0.956 337 T CA -0.514 61.593 62.100 0.010 0.000 0.987 337 T CB 1.089 69.966 68.868 0.016 0.000 0.920 337 T HN 0.457 nan 8.240 nan 0.000 0.470 338 V N 1.567 121.479 119.914 -0.004 0.000 3.119 338 V HA 0.749 4.888 4.120 0.032 0.000 0.311 338 V C -1.041 175.050 176.094 -0.005 0.000 1.259 338 V CA -1.418 60.875 62.300 -0.012 0.000 1.067 338 V CB 2.135 33.941 31.823 -0.030 0.000 1.123 338 V HN 0.717 nan 8.190 nan 0.000 0.463 339 N N 0.548 119.243 118.700 -0.008 0.000 2.314 339 N HA 0.516 5.275 4.740 0.032 0.000 0.304 339 N C -1.112 174.390 175.510 -0.012 0.000 1.073 339 N CA -0.996 52.052 53.050 -0.003 0.000 0.822 339 N CB 1.883 40.371 38.487 0.002 0.000 1.280 339 N HN 0.888 nan 8.380 nan 0.000 0.489 340 K N 0.418 120.813 120.400 -0.008 0.000 2.258 340 K HA 0.296 4.636 4.320 0.032 0.000 0.264 340 K C -0.827 175.759 176.600 -0.023 0.000 1.007 340 K CA -0.341 55.939 56.287 -0.012 0.000 0.941 340 K CB 0.586 33.085 32.500 -0.002 0.000 0.966 340 K HN 0.533 nan 8.250 nan 0.000 0.480 341 N N 0.212 118.896 118.700 -0.026 0.000 2.521 341 N HA 0.052 4.811 4.740 0.032 0.000 0.269 341 N C -1.619 173.875 175.510 -0.026 0.000 1.079 341 N CA -0.504 52.526 53.050 -0.033 0.000 0.980 341 N CB 1.787 40.256 38.487 -0.030 0.000 1.667 341 N HN 0.831 nan 8.380 nan 0.000 0.498 342 T N 1.066 115.599 114.554 -0.035 0.000 2.903 342 T HA 0.325 4.694 4.350 0.032 0.000 0.314 342 T C 0.681 175.383 174.700 0.004 0.000 1.078 342 T CA -0.348 61.742 62.100 -0.017 0.000 1.114 342 T CB 0.006 68.856 68.868 -0.030 0.000 0.987 342 T HN 0.422 nan 8.240 nan 0.000 0.548 343 I N -0.838 119.746 120.570 0.024 0.000 2.707 343 I HA 0.660 4.849 4.170 0.032 0.000 0.309 343 I C -2.803 173.337 176.117 0.038 0.000 1.001 343 I CA -3.718 57.610 61.300 0.047 0.000 1.129 343 I CB 1.414 39.454 38.000 0.067 0.000 1.308 343 I HN 0.348 nan 8.210 nan 0.000 0.466 344 P HA -0.009 nan 4.420 nan 0.000 0.265 344 P C -1.065 176.165 177.300 -0.117 0.000 1.187 344 P CA 0.680 63.614 63.100 -0.275 0.000 0.766 344 P CB -0.160 31.361 31.700 -0.298 0.000 0.820 345 Y N -1.416 118.835 120.300 -0.082 0.000 3.978 345 Y HA -0.280 4.289 4.550 0.033 0.000 0.219 345 Y C 0.886 176.800 175.900 0.023 0.000 1.153 345 Y CA 0.549 58.649 58.100 -0.000 0.000 1.718 345 Y CB -2.307 36.121 38.460 -0.054 0.000 1.541 345 Y HN 0.384 nan 8.280 nan 0.000 0.640 346 D N 1.600 122.053 120.400 0.089 0.000 2.458 346 D HA 0.026 4.686 4.640 0.032 0.000 0.243 346 D C -0.867 175.477 176.300 0.074 0.000 1.146 346 D CA -1.035 53.012 54.000 0.078 0.000 0.877 346 D CB 1.156 41.982 40.800 0.044 0.000 1.176 346 D HN 0.126 nan 8.370 nan 0.000 0.461 347 P HA 0.026 nan 4.420 nan 0.000 0.231 347 P C -0.006 177.325 177.300 0.052 0.000 1.168 347 P CA 0.515 63.652 63.100 0.062 0.000 0.779 347 P CB 0.563 32.297 31.700 0.057 0.000 0.844 348 E N 0.414 120.644 120.200 0.050 0.000 2.250 348 E HA 0.256 4.625 4.350 0.032 0.000 0.269 348 E C 0.449 177.079 176.600 0.049 0.000 1.018 348 E CA -0.369 56.060 56.400 0.049 0.000 0.873 348 E CB 1.297 31.026 29.700 0.048 0.000 1.134 348 E HN 0.064 nan 8.360 nan 0.000 0.403 349 S N 1.054 116.795 115.700 0.068 0.000 2.608 349 S HA 0.134 4.623 4.470 0.032 0.000 0.261 349 S C -1.787 172.844 174.600 0.051 0.000 1.314 349 S CA -0.979 57.271 58.200 0.085 0.000 0.992 349 S CB 0.713 64.006 63.200 0.155 0.000 0.935 349 S HN 0.164 nan 8.310 nan 0.000 0.564 350 P HA 0.002 nan 4.420 nan 0.000 0.221 350 P C 0.544 177.655 177.300 -0.314 0.000 1.145 350 P CA 1.124 64.093 63.100 -0.220 0.000 0.795 350 P CB -0.188 31.265 31.700 -0.412 0.000 0.775 351 F N -2.136 117.810 119.950 -0.006 0.000 2.789 351 F HA 0.029 4.575 4.527 0.032 0.000 0.300 351 F C 1.941 177.742 175.800 0.001 0.000 1.132 351 F CA 0.363 58.361 58.000 -0.004 0.000 1.404 351 F CB -0.268 38.729 39.000 -0.005 0.000 1.114 351 F HN -0.246 nan 8.300 nan 0.000 0.584 352 V N -1.951 118.045 119.914 0.136 0.000 3.001 352 V HA 0.155 4.294 4.120 0.032 0.000 0.228 352 V C 0.618 176.740 176.094 0.048 0.000 1.204 352 V CA 0.855 63.208 62.300 0.089 0.000 1.247 352 V CB -0.048 31.826 31.823 0.086 0.000 1.093 352 V HN 0.365 nan 8.190 nan 0.000 0.504 353 T N -0.720 113.854 114.554 0.035 0.000 0.541 353 T HA -0.223 4.147 4.350 0.032 0.000 0.774 353 T C 0.139 174.856 174.700 0.028 0.000 0.992 353 T CA 0.371 62.482 62.100 0.019 0.000 4.077 353 T CB -1.461 67.406 68.868 -0.002 0.000 2.303 353 T HN 0.376 nan 8.240 nan 0.000 0.398 354 S N 1.060 116.777 115.700 0.029 0.000 2.602 354 S HA 0.600 5.089 4.470 0.032 0.000 0.240 354 S C 0.742 175.360 174.600 0.030 0.000 0.992 354 S CA -0.051 58.171 58.200 0.037 0.000 0.971 354 S CB 0.676 63.905 63.200 0.048 0.000 0.855 354 S HN 1.267 nan 8.310 nan 0.000 0.481 355 G N 1.544 110.353 108.800 0.015 0.000 2.695 355 G HA2 0.700 4.679 3.960 0.032 0.000 0.290 355 G HA3 0.700 4.679 3.960 0.032 0.000 0.290 355 G C -1.369 173.521 174.900 -0.017 0.000 1.410 355 G CA -0.888 44.212 45.100 -0.000 0.000 0.844 355 G HN 0.296 nan 8.290 nan 0.000 0.478 356 I N -1.663 118.884 120.570 -0.038 0.000 2.509 356 I HA 0.709 4.898 4.170 0.032 0.000 0.293 356 I C -0.256 175.825 176.117 -0.061 0.000 1.020 356 I CA -1.150 60.121 61.300 -0.049 0.000 1.088 356 I CB 2.386 40.347 38.000 -0.065 0.000 1.267 356 I HN 0.426 nan 8.210 nan 0.000 0.430 357 R N 6.032 126.502 120.500 -0.050 0.000 2.297 357 R HA 0.739 5.099 4.340 0.032 0.000 0.308 357 R C -1.473 174.792 176.300 -0.059 0.000 1.029 357 R CA -0.462 55.603 56.100 -0.058 0.000 0.929 357 R CB 1.192 31.465 30.300 -0.044 0.000 1.046 357 R HN 0.804 nan 8.270 nan 0.000 0.461 358 I N 2.535 123.058 120.570 -0.077 0.000 2.647 358 I HA 0.478 4.667 4.170 0.032 0.000 0.295 358 I C -0.006 176.065 176.117 -0.075 0.000 1.078 358 I CA -0.816 60.443 61.300 -0.068 0.000 1.048 358 I CB 2.501 40.451 38.000 -0.083 0.000 1.239 358 I HN 0.784 nan 8.210 nan 0.000 0.421 359 G N 1.088 109.865 108.800 -0.038 0.000 2.619 359 G HA2 0.485 4.464 3.960 0.032 0.000 0.296 359 G HA3 0.485 4.464 3.960 0.032 0.000 0.296 359 G C 0.064 174.972 174.900 0.013 0.000 1.334 359 G CA -0.277 44.809 45.100 -0.024 0.000 0.934 359 G HN 0.587 nan 8.290 nan 0.000 0.476 360 T N -2.031 112.545 114.554 0.036 0.000 3.069 360 T HA 0.372 4.741 4.350 0.032 0.000 0.252 360 T C 2.092 176.817 174.700 0.042 0.000 1.053 360 T CA 1.156 63.276 62.100 0.034 0.000 0.964 360 T CB 0.658 69.543 68.868 0.029 0.000 1.005 360 T HN 0.723 nan 8.240 nan 0.000 0.532 361 A N 1.822 124.685 122.820 0.070 0.000 1.908 361 A HA 0.266 4.606 4.320 0.032 0.000 0.218 361 A C 2.708 180.347 177.584 0.091 0.000 1.181 361 A CA 1.739 53.830 52.037 0.090 0.000 0.627 361 A CB -1.332 17.727 19.000 0.098 0.000 0.818 361 A HN 0.729 nan 8.150 nan 0.000 0.445 362 A N -0.090 122.697 122.820 -0.055 0.000 1.855 362 A HA 0.004 4.343 4.320 0.032 0.000 0.215 362 A C 2.323 179.914 177.584 0.011 0.000 1.191 362 A CA 2.256 54.166 52.037 -0.212 0.000 0.613 362 A CB -1.313 17.395 19.000 -0.487 0.000 0.829 362 A HN 1.139 nan 8.150 nan 0.000 0.442 363 V N -2.483 117.395 119.914 -0.060 0.000 2.594 363 V HA -0.161 3.979 4.120 0.032 0.000 0.253 363 V C 2.133 178.185 176.094 -0.071 0.000 1.069 363 V CA 2.596 64.748 62.300 -0.246 0.000 1.082 363 V CB -1.826 29.781 31.823 -0.359 0.000 0.680 363 V HN 0.423 nan 8.190 nan 0.000 0.469 364 T N 0.504 115.114 114.554 0.092 0.000 2.777 364 T HA -0.141 4.228 4.350 0.032 0.000 0.266 364 T C 1.965 176.845 174.700 0.299 0.000 1.040 364 T CA 2.168 64.386 62.100 0.196 0.000 1.141 364 T CB -0.615 68.336 68.868 0.139 0.000 0.868 364 T HN 0.627 nan 8.240 nan 0.000 0.444 365 T N 2.317 117.077 114.554 0.343 0.000 2.699 365 T HA -0.171 4.198 4.350 0.032 0.000 0.268 365 T C 1.924 176.710 174.700 0.143 0.000 1.036 365 T CA 1.475 63.677 62.100 0.170 0.000 1.147 365 T CB -0.273 68.681 68.868 0.143 0.000 0.862 365 T HN 0.558 nan 8.240 nan 0.000 0.446 366 R N 0.996 121.586 120.500 0.150 0.000 2.323 366 R HA 0.216 4.575 4.340 0.032 0.000 0.198 366 R C 1.539 177.916 176.300 0.127 0.000 0.988 366 R CA 0.946 57.083 56.100 0.062 0.000 1.041 366 R CB -0.204 30.058 30.300 -0.063 0.000 0.926 366 R HN 0.408 nan 8.270 nan 0.000 0.476 367 G N 0.014 108.922 108.800 0.180 0.000 2.179 367 G HA2 -0.245 3.734 3.960 0.032 0.000 0.220 367 G HA3 -0.245 3.734 3.960 0.032 0.000 0.220 367 G C 0.052 175.160 174.900 0.348 0.000 0.990 367 G CA -0.277 44.959 45.100 0.227 0.000 0.646 367 G HN 0.299 nan 8.290 nan 0.000 0.517 368 F N 1.207 121.204 119.950 0.078 0.000 2.518 368 F HA 0.448 4.996 4.527 0.035 0.000 0.359 368 F C 1.498 177.328 175.800 0.049 0.000 1.118 368 F CA 0.044 58.078 58.000 0.056 0.000 1.287 368 F CB 1.011 40.043 39.000 0.054 0.000 1.132 368 F HN 0.218 nan 8.300 nan 0.000 0.587 369 G N 1.884 110.789 108.800 0.175 0.000 3.107 369 G HA2 0.418 4.397 3.960 0.032 0.000 0.232 369 G HA3 0.418 4.397 3.960 0.032 0.000 0.232 369 G C 0.527 175.465 174.900 0.063 0.000 1.339 369 G CA -0.831 44.327 45.100 0.098 0.000 1.033 369 G HN 0.598 nan 8.290 nan 0.000 0.567 370 L N -0.051 121.193 121.223 0.035 0.000 2.083 370 L HA -0.051 4.308 4.340 0.032 0.000 0.209 370 L C 2.697 179.570 176.870 0.005 0.000 1.083 370 L CA 1.055 55.908 54.840 0.022 0.000 0.752 370 L CB -0.272 41.795 42.059 0.014 0.000 0.899 370 L HN 0.378 nan 8.230 nan 0.000 0.433 371 E N 0.302 120.494 120.200 -0.013 0.000 2.107 371 E HA -0.177 4.192 4.350 0.032 0.000 0.191 371 E C 2.090 178.651 176.600 -0.065 0.000 0.982 371 E CA 0.949 57.328 56.400 -0.036 0.000 0.809 371 E CB -0.096 29.576 29.700 -0.046 0.000 0.756 371 E HN 0.474 nan 8.360 nan 0.000 0.459 372 E N 0.294 120.434 120.200 -0.101 0.000 2.106 372 E HA -0.083 4.286 4.350 0.032 0.000 0.192 372 E C 1.937 178.520 176.600 -0.028 0.000 0.984 372 E CA 0.723 57.012 56.400 -0.185 0.000 0.806 372 E CB -0.166 29.259 29.700 -0.458 0.000 0.750 372 E HN 0.122 nan 8.360 nan 0.000 0.458 373 M N 0.826 120.448 119.600 0.035 0.000 2.086 373 M HA -0.142 4.357 4.480 0.032 0.000 0.261 373 M C 1.359 177.677 176.300 0.030 0.000 1.067 373 M CA 1.417 56.751 55.300 0.057 0.000 1.116 373 M CB -0.963 31.669 32.600 0.052 0.000 1.348 373 M HN 0.040 nan 8.290 nan 0.000 0.407 374 D N 0.112 120.520 120.400 0.013 0.000 2.123 374 D HA -0.186 4.474 4.640 0.032 0.000 0.196 374 D C 2.018 178.325 176.300 0.010 0.000 0.992 374 D CA 1.394 55.400 54.000 0.011 0.000 0.833 374 D CB -0.210 40.590 40.800 0.002 0.000 0.954 374 D HN 0.364 nan 8.370 nan 0.000 0.455 375 E N 0.612 120.808 120.200 -0.008 0.000 2.047 375 E HA -0.079 4.291 4.350 0.032 0.000 0.191 375 E C 2.165 178.772 176.600 0.012 0.000 0.987 375 E CA 0.678 57.072 56.400 -0.011 0.000 0.799 375 E CB -0.401 29.270 29.700 -0.049 0.000 0.752 375 E HN 0.284 nan 8.360 nan 0.000 0.449 376 I N 0.509 121.095 120.570 0.026 0.000 2.208 376 I HA -0.291 3.898 4.170 0.032 0.000 0.245 376 I C 2.376 178.515 176.117 0.037 0.000 1.097 376 I CA 1.188 62.518 61.300 0.050 0.000 1.363 376 I CB -0.427 37.626 38.000 0.089 0.000 1.051 376 I HN 0.203 nan 8.210 nan 0.000 0.413 377 A N 0.642 123.483 122.820 0.036 0.000 1.933 377 A HA -0.163 4.177 4.320 0.032 0.000 0.218 377 A C 2.529 180.164 177.584 0.085 0.000 1.175 377 A CA 1.848 53.913 52.037 0.046 0.000 0.628 377 A CB -0.801 18.232 19.000 0.054 0.000 0.814 377 A HN 0.442 nan 8.150 nan 0.000 0.444 378 A N -0.093 122.765 122.820 0.064 0.000 1.930 378 A HA -0.047 4.292 4.320 0.032 0.000 0.217 378 A C 2.093 179.718 177.584 0.069 0.000 1.175 378 A CA 1.438 53.515 52.037 0.066 0.000 0.627 378 A CB -0.578 18.445 19.000 0.037 0.000 0.815 378 A HN 0.505 nan 8.150 nan 0.000 0.443 379 I N -0.306 120.296 120.570 0.053 0.000 2.179 379 I HA -0.257 3.932 4.170 0.032 0.000 0.242 379 I C 2.268 178.424 176.117 0.065 0.000 1.088 379 I CA 1.316 62.645 61.300 0.050 0.000 1.357 379 I CB -0.336 37.687 38.000 0.038 0.000 1.051 379 I HN 0.289 nan 8.210 nan 0.000 0.409 380 I N 0.737 121.345 120.570 0.062 0.000 2.286 380 I HA -0.219 3.970 4.170 0.032 0.000 0.248 380 I C 2.660 178.899 176.117 0.203 0.000 1.115 380 I CA 1.576 62.908 61.300 0.054 0.000 1.392 380 I CB -0.878 37.077 38.000 -0.074 0.000 1.065 380 I HN 0.288 nan 8.210 nan 0.000 0.418 381 G N 1.180 110.155 108.800 0.290 0.000 2.421 381 G HA2 -0.273 3.706 3.960 0.032 0.000 0.216 381 G HA3 -0.273 3.706 3.960 0.032 0.000 0.216 381 G C 1.664 176.657 174.900 0.156 0.000 1.171 381 G CA 0.737 46.033 45.100 0.327 0.000 0.775 381 G HN 0.300 nan 8.290 nan 0.000 0.543 382 L N 0.764 122.049 121.223 0.103 0.000 2.012 382 L HA -0.050 4.310 4.340 0.032 0.000 0.210 382 L C 2.832 179.742 176.870 0.066 0.000 1.073 382 L CA 1.671 56.549 54.840 0.063 0.000 0.748 382 L CB -0.508 41.580 42.059 0.048 0.000 0.891 382 L HN 0.087 nan 8.230 nan 0.000 0.431 383 V N -0.265 119.698 119.914 0.081 0.000 2.255 383 V HA -0.264 3.876 4.120 0.032 0.000 0.243 383 V C 2.503 178.650 176.094 0.089 0.000 1.038 383 V CA 2.027 64.370 62.300 0.071 0.000 1.008 383 V CB -0.585 31.274 31.823 0.060 0.000 0.645 383 V HN 0.437 nan 8.190 nan 0.000 0.449 384 L N -0.426 120.884 121.223 0.145 0.000 2.275 384 L HA -0.112 4.248 4.340 0.032 0.000 0.215 384 L C 2.290 179.237 176.870 0.128 0.000 1.119 384 L CA 1.365 56.310 54.840 0.175 0.000 0.790 384 L CB -0.540 41.707 42.059 0.312 0.000 0.919 384 L HN 0.348 nan 8.230 nan 0.000 0.443 385 K N 0.136 120.589 120.400 0.088 0.000 2.426 385 K HA 0.045 4.384 4.320 0.032 0.000 0.193 385 K C 0.030 176.640 176.600 0.017 0.000 1.028 385 K CA 0.329 56.625 56.287 0.015 0.000 1.047 385 K CB 0.149 32.624 32.500 -0.041 0.000 0.821 385 K HN 0.316 nan 8.250 nan 0.000 0.513 386 N N 0.132 118.851 118.700 0.031 0.000 2.642 386 N HA 0.058 4.817 4.740 0.032 0.000 0.308 386 N C 0.401 175.927 175.510 0.028 0.000 1.914 386 N CA -0.115 52.949 53.050 0.023 0.000 0.893 386 N CB 1.341 39.840 38.487 0.020 0.000 1.322 386 N HN -0.210 nan 8.380 nan 0.000 0.490 387 V N -0.119 119.814 119.914 0.032 0.000 2.324 387 V HA -0.186 3.953 4.120 0.032 0.000 0.250 387 V C 2.148 178.256 176.094 0.024 0.000 1.060 387 V CA 2.350 64.669 62.300 0.032 0.000 1.042 387 V CB -0.438 31.406 31.823 0.035 0.000 0.650 387 V HN 0.644 nan 8.190 nan 0.000 0.450 388 G N -1.332 107.480 108.800 0.020 0.000 3.026 388 G HA2 -0.009 3.971 3.960 0.032 0.000 0.208 388 G HA3 -0.009 3.971 3.960 0.032 0.000 0.208 388 G C 0.672 175.581 174.900 0.015 0.000 1.169 388 G CA 0.608 45.718 45.100 0.016 0.000 0.788 388 G HN 0.437 nan 8.290 nan 0.000 0.533 389 S N 0.340 116.049 115.700 0.016 0.000 2.410 389 S HA 0.279 4.768 4.470 0.032 0.000 0.304 389 S C 1.207 175.816 174.600 0.015 0.000 1.095 389 S CA -0.577 57.631 58.200 0.014 0.000 1.089 389 S CB 0.820 64.028 63.200 0.013 0.000 0.968 389 S HN 0.214 nan 8.310 nan 0.000 0.480 390 E N 3.626 123.833 120.200 0.013 0.000 2.204 390 E HA -0.154 4.216 4.350 0.032 0.000 0.194 390 E C 2.033 178.640 176.600 0.013 0.000 0.989 390 E CA 1.040 57.448 56.400 0.013 0.000 0.824 390 E CB -0.017 29.689 29.700 0.011 0.000 0.756 390 E HN 0.903 nan 8.360 nan 0.000 0.477 391 Q N 0.166 119.973 119.800 0.012 0.000 2.119 391 Q HA 0.023 4.382 4.340 0.032 0.000 0.201 391 Q C 2.159 178.167 176.000 0.013 0.000 0.972 391 Q CA 1.328 57.137 55.803 0.011 0.000 0.847 391 Q CB -0.364 28.379 28.738 0.009 0.000 0.903 391 Q HN 0.139 nan 8.270 nan 0.000 0.433 392 A N 2.021 124.850 122.820 0.015 0.000 1.902 392 A HA -0.105 4.234 4.320 0.032 0.000 0.217 392 A C 2.244 179.841 177.584 0.021 0.000 1.181 392 A CA 1.121 53.169 52.037 0.019 0.000 0.623 392 A CB -0.717 18.296 19.000 0.022 0.000 0.818 392 A HN 0.324 nan 8.150 nan 0.000 0.443 393 L N -0.968 120.267 121.223 0.021 0.000 2.083 393 L HA -0.185 4.174 4.340 0.032 0.000 0.209 393 L C 2.678 179.559 176.870 0.019 0.000 1.083 393 L CA 1.726 56.579 54.840 0.021 0.000 0.752 393 L CB -0.407 41.664 42.059 0.020 0.000 0.899 393 L HN 0.475 nan 8.230 nan 0.000 0.433 394 E N 0.532 120.741 120.200 0.016 0.000 2.107 394 E HA -0.252 4.117 4.350 0.032 0.000 0.191 394 E C 2.001 178.610 176.600 0.014 0.000 0.982 394 E CA 1.352 57.761 56.400 0.014 0.000 0.809 394 E CB 0.001 29.708 29.700 0.012 0.000 0.756 394 E HN 0.404 nan 8.360 nan 0.000 0.459 395 E N -0.301 119.907 120.200 0.014 0.000 2.051 395 E HA -0.207 4.162 4.350 0.032 0.000 0.192 395 E C 1.951 178.560 176.600 0.015 0.000 0.991 395 E CA 1.111 57.519 56.400 0.013 0.000 0.799 395 E CB -0.257 29.450 29.700 0.013 0.000 0.748 395 E HN 0.309 nan 8.360 nan 0.000 0.449 396 A N 1.385 124.216 122.820 0.019 0.000 1.908 396 A HA -0.211 4.128 4.320 0.032 0.000 0.218 396 A C 2.211 179.808 177.584 0.021 0.000 1.181 396 A CA 1.674 53.724 52.037 0.023 0.000 0.627 396 A CB -0.564 18.452 19.000 0.028 0.000 0.818 396 A HN 0.206 nan 8.150 nan 0.000 0.445 397 R N -0.778 119.734 120.500 0.020 0.000 2.091 397 R HA -0.164 4.196 4.340 0.032 0.000 0.238 397 R C 2.495 178.805 176.300 0.017 0.000 1.136 397 R CA 1.821 57.932 56.100 0.019 0.000 0.959 397 R CB -0.284 30.026 30.300 0.017 0.000 0.856 397 R HN 0.711 nan 8.270 nan 0.000 0.437 398 Q N -0.331 119.478 119.800 0.014 0.000 2.119 398 Q HA -0.118 4.242 4.340 0.032 0.000 0.201 398 Q C 1.997 178.003 176.000 0.009 0.000 0.972 398 Q CA 1.237 57.047 55.803 0.011 0.000 0.847 398 Q CB 0.068 28.812 28.738 0.009 0.000 0.903 398 Q HN 0.295 nan 8.270 nan 0.000 0.433 399 R N -0.306 120.200 120.500 0.010 0.000 2.153 399 R HA -0.030 4.329 4.340 0.032 0.000 0.218 399 R C 2.209 178.515 176.300 0.009 0.000 1.072 399 R CA 0.665 56.769 56.100 0.005 0.000 0.990 399 R CB -0.090 30.213 30.300 0.006 0.000 0.889 399 R HN 0.047 nan 8.270 nan 0.000 0.452 400 V N 1.086 121.013 119.914 0.021 0.000 2.307 400 V HA -0.216 3.923 4.120 0.032 0.000 0.245 400 V C 2.377 178.489 176.094 0.030 0.000 1.045 400 V CA 2.055 64.376 62.300 0.034 0.000 1.024 400 V CB -0.573 31.272 31.823 0.037 0.000 0.651 400 V HN 0.398 nan 8.190 nan 0.000 0.449 401 A N -0.266 122.566 122.820 0.019 0.000 2.015 401 A HA -0.027 4.312 4.320 0.032 0.000 0.219 401 A C 2.359 179.950 177.584 0.012 0.000 1.163 401 A CA 1.789 53.835 52.037 0.016 0.000 0.646 401 A CB -0.563 18.447 19.000 0.017 0.000 0.806 401 A HN 0.556 nan 8.150 nan 0.000 0.448 402 A N -0.275 122.547 122.820 0.003 0.000 1.930 402 A HA 0.047 4.386 4.320 0.032 0.000 0.217 402 A C 2.126 179.694 177.584 -0.027 0.000 1.175 402 A CA 1.314 53.345 52.037 -0.010 0.000 0.627 402 A CB -0.475 18.515 19.000 -0.017 0.000 0.815 402 A HN 0.455 nan 8.150 nan 0.000 0.443 403 L N -0.190 121.015 121.223 -0.031 0.000 2.027 403 L HA -0.127 4.233 4.340 0.032 0.000 0.206 403 L C 2.791 179.689 176.870 0.047 0.000 1.074 403 L CA 1.790 56.586 54.840 -0.073 0.000 0.745 403 L CB -0.621 41.400 42.059 -0.064 0.000 0.898 403 L HN 0.605 nan 8.230 nan 0.000 0.433 404 T N -3.695 110.903 114.554 0.073 0.000 3.148 404 T HA 0.029 4.398 4.350 0.032 0.000 0.253 404 T C 0.505 175.171 174.700 -0.056 0.000 1.134 404 T CA 0.210 62.311 62.100 0.000 0.000 1.051 404 T CB -0.300 68.506 68.868 -0.104 0.000 0.959 404 T HN 0.516 nan 8.240 nan 0.000 0.525 405 D N 0.000 120.417 120.400 0.028 0.000 6.856 405 D HA 0.000 4.659 4.640 0.032 0.000 0.175 405 D CA 0.000 54.050 54.000 0.084 0.000 0.868 405 D CB 0.000 40.884 40.800 0.140 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683