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 1yjs_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 TTTTHQTLRG 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 0.000 176.183 176.300 -0.195 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.046 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 K N 0.405 120.648 120.400 -0.260 0.000 2.412 2 K HA 0.221 4.558 4.320 0.028 0.000 0.201 2 K C 0.764 176.986 176.600 -0.629 0.000 1.275 2 K CA 0.607 56.588 56.287 -0.510 0.000 0.910 2 K CB 0.490 32.567 32.500 -0.705 0.000 1.346 2 K HN 0.667 nan 8.250 nan 0.000 0.490 3 Y N 0.851 121.080 120.300 -0.119 0.000 2.397 3 Y HA -0.016 4.538 4.550 0.006 0.000 0.292 3 Y C 1.955 177.779 175.900 -0.127 0.000 1.115 3 Y CA 0.160 58.196 58.100 -0.107 0.000 1.208 3 Y CB -0.123 38.294 38.460 -0.070 0.000 1.046 3 Y HN 0.045 nan 8.280 nan 0.000 0.552 4 L N 1.460 122.667 121.223 -0.025 0.000 1.989 4 L HA -0.080 4.277 4.340 0.028 0.000 0.211 4 L C -0.785 175.969 176.870 -0.193 0.000 1.071 4 L CA 1.985 56.794 54.840 -0.052 0.000 0.749 4 L CB -1.702 40.373 42.059 0.027 0.000 0.890 4 L HN -0.006 nan 8.230 nan 0.000 0.431 5 P HA -0.218 nan 4.420 nan 0.000 0.216 5 P C 1.465 178.607 177.300 -0.263 0.000 1.153 5 P CA 1.430 64.104 63.100 -0.710 0.000 0.858 5 P CB 0.012 31.073 31.700 -1.066 0.000 0.789 6 Q N -0.156 119.523 119.800 -0.201 0.000 2.083 6 Q HA -0.176 4.181 4.340 0.028 0.000 0.198 6 Q C 2.327 178.304 176.000 -0.039 0.000 0.969 6 Q CA 1.740 57.485 55.803 -0.097 0.000 0.838 6 Q CB -1.043 27.648 28.738 -0.078 0.000 0.900 6 Q HN 0.062 nan 8.270 nan 0.000 0.436 7 Q N 0.161 119.951 119.800 -0.018 0.000 2.083 7 Q HA -0.055 4.302 4.340 0.028 0.000 0.198 7 Q C -0.393 175.615 176.000 0.013 0.000 0.969 7 Q CA 1.649 57.456 55.803 0.008 0.000 0.838 7 Q CB 0.191 28.944 28.738 0.025 0.000 0.900 7 Q HN 0.200 nan 8.270 nan 0.000 0.436 8 D N -1.256 119.157 120.400 0.021 0.000 2.429 8 D HA 0.230 4.887 4.640 0.028 0.000 0.255 8 D C -2.270 174.082 176.300 0.087 0.000 1.257 8 D CA -1.847 52.181 54.000 0.047 0.000 0.890 8 D CB 1.372 42.204 40.800 0.052 0.000 1.267 8 D HN -0.026 nan 8.370 nan 0.000 0.521 9 P HA -0.130 nan 4.420 nan 0.000 0.216 9 P C 1.425 178.802 177.300 0.130 0.000 1.150 9 P CA 1.164 64.338 63.100 0.124 0.000 0.837 9 P CB 0.558 32.303 31.700 0.074 0.000 0.786 10 Q N -0.702 119.146 119.800 0.080 0.000 2.020 10 Q HA -0.115 4.241 4.340 0.028 0.000 0.202 10 Q C 2.128 178.164 176.000 0.059 0.000 0.982 10 Q CA 1.461 57.298 55.803 0.056 0.000 0.838 10 Q CB -0.934 27.826 28.738 0.037 0.000 0.899 10 Q HN 0.107 nan 8.270 nan 0.000 0.423 11 V N 0.527 120.485 119.914 0.074 0.000 2.427 11 V HA -0.225 3.911 4.120 0.028 0.000 0.248 11 V C 1.940 178.095 176.094 0.103 0.000 1.051 11 V CA 1.599 63.942 62.300 0.071 0.000 1.048 11 V CB -0.575 31.291 31.823 0.071 0.000 0.666 11 V HN 0.304 nan 8.190 nan 0.000 0.456 12 F N 1.587 121.537 119.950 0.000 0.000 2.171 12 F HA -0.098 4.435 4.527 0.010 0.000 0.300 12 F C 2.245 178.043 175.800 -0.004 0.000 1.090 12 F CA 1.157 59.155 58.000 -0.002 0.000 1.293 12 F CB -0.553 38.444 39.000 -0.005 0.000 1.013 12 F HN 0.077 nan 8.300 nan 0.000 0.486 13 A N 0.355 123.152 122.820 -0.038 0.000 1.902 13 A HA -0.050 4.287 4.320 0.028 0.000 0.217 13 A C 2.431 179.912 177.584 -0.171 0.000 1.181 13 A CA 1.797 53.744 52.037 -0.149 0.000 0.623 13 A CB -1.527 17.461 19.000 -0.020 0.000 0.818 13 A HN 0.472 nan 8.150 nan 0.000 0.443 14 A N -0.245 122.517 122.820 -0.096 0.000 1.930 14 A HA -0.019 4.317 4.320 0.028 0.000 0.217 14 A C 2.112 179.636 177.584 -0.100 0.000 1.175 14 A CA 1.407 53.399 52.037 -0.075 0.000 0.627 14 A CB -0.535 18.446 19.000 -0.032 0.000 0.815 14 A HN 0.491 nan 8.150 nan 0.000 0.443 15 I N -0.497 119.998 120.570 -0.126 0.000 2.252 15 I HA -0.188 3.999 4.170 0.028 0.000 0.245 15 I C 2.429 178.426 176.117 -0.200 0.000 1.102 15 I CA 1.112 62.338 61.300 -0.123 0.000 1.385 15 I CB -0.292 37.663 38.000 -0.074 0.000 1.064 15 I HN 0.286 nan 8.210 nan 0.000 0.414 16 E N 0.696 120.667 120.200 -0.382 0.000 2.110 16 E HA -0.235 4.131 4.350 0.028 0.000 0.193 16 E C 2.159 178.638 176.600 -0.201 0.000 0.988 16 E CA 1.198 57.370 56.400 -0.380 0.000 0.804 16 E CB -0.217 29.108 29.700 -0.625 0.000 0.745 16 E HN 0.605 nan 8.360 nan 0.000 0.458 17 Q N 0.358 120.062 119.800 -0.160 0.000 2.084 17 Q HA -0.204 4.152 4.340 0.028 0.000 0.202 17 Q C 2.150 178.115 176.000 -0.058 0.000 0.978 17 Q CA 1.553 57.303 55.803 -0.088 0.000 0.844 17 Q CB -0.148 28.550 28.738 -0.066 0.000 0.898 17 Q HN 0.099 nan 8.270 nan 0.000 0.426 18 E N 1.328 121.494 120.200 -0.057 0.000 2.085 18 E HA -0.220 4.146 4.350 0.028 0.000 0.194 18 E C 1.849 178.440 176.600 -0.016 0.000 0.994 18 E CA 1.445 57.831 56.400 -0.025 0.000 0.801 18 E CB -0.070 29.619 29.700 -0.019 0.000 0.743 18 E HN 0.210 nan 8.360 nan 0.000 0.453 19 R N 0.197 120.671 120.500 -0.044 0.000 2.073 19 R HA -0.125 4.232 4.340 0.028 0.000 0.234 19 R C 2.180 178.465 176.300 -0.026 0.000 1.134 19 R CA 1.897 57.974 56.100 -0.039 0.000 0.952 19 R CB -0.089 30.172 30.300 -0.066 0.000 0.850 19 R HN 0.062 nan 8.270 nan 0.000 0.433 20 K N -0.148 120.232 120.400 -0.034 0.000 2.097 20 K HA -0.146 4.190 4.320 0.028 0.000 0.206 20 K C 2.276 178.903 176.600 0.044 0.000 1.049 20 K CA 1.324 57.611 56.287 -0.000 0.000 0.933 20 K CB -0.170 32.316 32.500 -0.024 0.000 0.717 20 K HN 0.141 nan 8.250 nan 0.000 0.442 21 R N 1.455 121.969 120.500 0.023 0.000 2.073 21 R HA -0.185 4.172 4.340 0.028 0.000 0.234 21 R C 2.079 178.405 176.300 0.043 0.000 1.134 21 R CA 1.715 57.833 56.100 0.031 0.000 0.952 21 R CB -0.064 30.249 30.300 0.022 0.000 0.850 21 R HN 0.293 nan 8.270 nan 0.000 0.433 22 Q N -1.135 118.694 119.800 0.047 0.000 2.135 22 Q HA -0.252 4.105 4.340 0.028 0.000 0.204 22 Q C 1.994 177.977 176.000 -0.028 0.000 0.981 22 Q CA 2.056 57.895 55.803 0.059 0.000 0.856 22 Q CB -0.235 28.538 28.738 0.058 0.000 0.902 22 Q HN 0.557 nan 8.270 nan 0.000 0.425 23 H N -0.184 118.814 119.070 -0.120 0.000 2.372 23 H HA 0.066 4.638 4.556 0.027 0.000 0.301 23 H C 1.784 177.083 175.328 -0.049 0.000 1.065 23 H CA 1.496 57.466 56.048 -0.129 0.000 1.364 23 H CB -0.001 29.698 29.762 -0.106 0.000 1.406 23 H HN 0.209 nan 8.280 nan 0.000 0.521 24 A N 1.004 123.790 122.820 -0.058 0.000 2.014 24 A HA 0.033 4.369 4.320 0.028 0.000 0.218 24 A C 0.973 178.519 177.584 -0.063 0.000 1.163 24 A CA 0.526 52.517 52.037 -0.076 0.000 0.652 24 A CB -0.037 18.983 19.000 0.033 0.000 0.808 24 A HN 0.189 nan 8.150 nan 0.000 0.449 25 K N -0.496 119.887 120.400 -0.029 0.000 2.109 25 K HA 0.546 4.883 4.320 0.028 0.000 0.243 25 K C -0.724 175.882 176.600 0.010 0.000 1.006 25 K CA -0.478 55.813 56.287 0.006 0.000 0.917 25 K CB 0.977 33.495 32.500 0.031 0.000 1.081 25 K HN 0.185 nan 8.250 nan 0.000 0.468 26 I N 2.021 122.611 120.570 0.034 0.000 2.307 26 I HA 0.046 4.232 4.170 0.028 0.000 0.287 26 I C 0.193 176.329 176.117 0.032 0.000 1.054 26 I CA -0.669 60.656 61.300 0.041 0.000 1.218 26 I CB 0.840 38.899 38.000 0.098 0.000 1.398 26 I HN 0.437 nan 8.210 nan 0.000 0.475 27 E N 7.054 127.275 120.200 0.034 0.000 2.070 27 E HA 0.185 4.551 4.350 0.028 0.000 0.282 27 E C -0.045 176.549 176.600 -0.008 0.000 1.104 27 E CA 0.248 56.666 56.400 0.029 0.000 0.876 27 E CB 0.551 30.291 29.700 0.066 0.000 1.055 27 E HN 0.576 nan 8.360 nan 0.000 0.401 28 L N 5.019 126.241 121.223 -0.002 0.000 2.906 28 L HA 0.340 4.697 4.340 0.028 0.000 0.255 28 L C 0.298 177.167 176.870 -0.001 0.000 1.166 28 L CA -0.400 54.438 54.840 -0.004 0.000 0.977 28 L CB 0.122 42.179 42.059 -0.003 0.000 1.313 28 L HN 0.543 nan 8.230 nan 0.000 0.549 29 I N 1.016 121.585 120.570 -0.001 0.000 2.668 29 I HA -0.072 4.115 4.170 0.028 0.000 0.285 29 I C 1.645 177.788 176.117 0.044 0.000 1.168 29 I CA 0.035 61.346 61.300 0.019 0.000 1.424 29 I CB 1.447 39.456 38.000 0.015 0.000 1.377 29 I HN 0.162 nan 8.210 nan 0.000 0.560 30 A N 4.631 127.508 122.820 0.094 0.000 1.972 30 A HA -0.157 4.179 4.320 0.028 0.000 0.219 30 A C 2.132 179.865 177.584 0.248 0.000 1.169 30 A CA 1.902 54.051 52.037 0.186 0.000 0.635 30 A CB -0.463 18.646 19.000 0.182 0.000 0.810 30 A HN 0.811 nan 8.150 nan 0.000 0.446 31 S N -0.547 115.251 115.700 0.163 0.000 2.593 31 S HA 0.148 4.635 4.470 0.028 0.000 0.217 31 S C 0.407 174.986 174.600 -0.036 0.000 0.966 31 S CA -0.263 57.913 58.200 -0.039 0.000 0.914 31 S CB -0.028 63.147 63.200 -0.042 0.000 0.776 31 S HN 0.622 nan 8.310 nan 0.000 0.523 32 E N 1.242 121.420 120.200 -0.037 0.000 2.250 32 E HA 0.521 4.888 4.350 0.028 0.000 0.265 32 E C -0.542 175.936 176.600 -0.204 0.000 1.033 32 E CA -0.726 55.606 56.400 -0.114 0.000 0.888 32 E CB 0.714 30.323 29.700 -0.152 0.000 1.151 32 E HN 0.163 nan 8.360 nan 0.000 0.412 33 N N -0.148 118.354 118.700 -0.329 0.000 3.179 33 N HA 0.325 5.082 4.740 0.028 0.000 0.250 33 N C -1.972 173.184 175.510 -0.590 0.000 1.507 33 N CA -0.527 52.271 53.050 -0.420 0.000 0.883 33 N CB 0.936 39.360 38.487 -0.105 0.000 1.435 33 N HN 0.194 nan 8.380 nan 0.000 0.532 34 F N 0.951 120.910 119.950 0.016 0.000 2.477 34 F HA 0.414 4.953 4.527 0.021 0.000 0.335 34 F C 0.735 176.530 175.800 -0.008 0.000 1.130 34 F CA -0.827 57.172 58.000 -0.002 0.000 0.948 34 F CB 1.215 40.207 39.000 -0.014 0.000 1.154 34 F HN 0.172 nan 8.300 nan 0.000 0.439 35 V N 0.162 120.168 119.914 0.153 0.000 3.170 35 V HA 0.716 4.853 4.120 0.028 0.000 0.309 35 V C 0.370 176.505 176.094 0.068 0.000 1.071 35 V CA -0.829 61.519 62.300 0.080 0.000 1.063 35 V CB 1.162 33.014 31.823 0.048 0.000 1.123 35 V HN 0.827 nan 8.190 nan 0.000 0.464 36 S N 1.722 117.443 115.700 0.034 0.000 2.624 36 S HA 0.345 4.831 4.470 0.028 0.000 0.263 36 S C 0.879 175.488 174.600 0.015 0.000 1.287 36 S CA -0.193 58.020 58.200 0.020 0.000 0.990 36 S CB 0.698 63.903 63.200 0.008 0.000 0.950 36 S HN 0.742 nan 8.310 nan 0.000 0.561 37 R N 0.599 121.105 120.500 0.009 0.000 2.115 37 R HA -0.024 4.332 4.340 0.028 0.000 0.230 37 R C 2.527 178.828 176.300 0.002 0.000 1.111 37 R CA 1.197 57.301 56.100 0.006 0.000 0.976 37 R CB -0.887 29.415 30.300 0.003 0.000 0.870 37 R HN 0.813 nan 8.270 nan 0.000 0.445 38 A N 0.650 123.468 122.820 -0.003 0.000 1.902 38 A HA -0.106 4.231 4.320 0.028 0.000 0.217 38 A C 2.304 179.878 177.584 -0.017 0.000 1.181 38 A CA 1.250 53.281 52.037 -0.010 0.000 0.623 38 A CB -0.459 18.533 19.000 -0.012 0.000 0.818 38 A HN 0.109 nan 8.150 nan 0.000 0.443 39 V N -0.238 119.664 119.914 -0.019 0.000 2.343 39 V HA -0.310 3.827 4.120 0.028 0.000 0.247 39 V C 2.630 178.712 176.094 -0.019 0.000 1.051 39 V CA 2.272 64.553 62.300 -0.031 0.000 1.036 39 V CB -0.626 31.179 31.823 -0.030 0.000 0.654 39 V HN 0.581 nan 8.190 nan 0.000 0.451 40 M N -0.846 118.752 119.600 -0.003 0.000 2.132 40 M HA -0.191 4.306 4.480 0.028 0.000 0.263 40 M C 2.225 178.531 176.300 0.009 0.000 1.065 40 M CA 1.805 57.109 55.300 0.007 0.000 1.122 40 M CB -0.396 32.213 32.600 0.016 0.000 1.365 40 M HN 0.360 nan 8.290 nan 0.000 0.411 41 E N 0.151 120.353 120.200 0.004 0.000 2.077 41 E HA -0.175 4.191 4.350 0.028 0.000 0.193 41 E C 2.025 178.626 176.600 0.002 0.000 0.989 41 E CA 1.259 57.661 56.400 0.004 0.000 0.800 41 E CB -0.120 29.580 29.700 0.000 0.000 0.746 41 E HN 0.506 nan 8.360 nan 0.000 0.452 42 A N 1.393 124.209 122.820 -0.007 0.000 1.902 42 A HA -0.238 4.099 4.320 0.028 0.000 0.217 42 A C 2.009 179.605 177.584 0.019 0.000 1.181 42 A CA 1.372 53.405 52.037 -0.007 0.000 0.623 42 A CB -0.407 18.573 19.000 -0.032 0.000 0.818 42 A HN 0.231 nan 8.150 nan 0.000 0.443 43 Q N -0.751 119.061 119.800 0.020 0.000 2.378 43 Q HA 0.015 4.371 4.340 0.028 0.000 0.205 43 Q C 1.500 177.562 176.000 0.103 0.000 0.954 43 Q CA 0.773 56.618 55.803 0.070 0.000 0.901 43 Q CB -0.253 28.504 28.738 0.032 0.000 0.981 43 Q HN 0.577 nan 8.270 nan 0.000 0.483 44 G N 1.554 110.382 108.800 0.047 0.000 3.383 44 G HA2 0.070 4.047 3.960 0.028 0.000 0.251 44 G HA3 0.070 4.047 3.960 0.028 0.000 0.251 44 G C 0.275 175.174 174.900 -0.002 0.000 1.203 44 G CA -0.040 45.075 45.100 0.026 0.000 0.852 44 G HN 0.282 nan 8.290 nan 0.000 0.531 45 S N -0.903 114.798 115.700 0.001 0.000 2.707 45 S HA 0.310 4.796 4.470 0.028 0.000 0.276 45 S C 1.493 176.051 174.600 -0.070 0.000 1.179 45 S CA 0.057 58.242 58.200 -0.024 0.000 0.992 45 S CB 1.473 64.669 63.200 -0.006 0.000 1.030 45 S HN 0.538 nan 8.310 nan 0.000 0.554 46 V N -0.822 119.051 119.914 -0.069 0.000 3.444 46 V HA 0.096 4.233 4.120 0.028 0.000 0.271 46 V C 1.499 177.534 176.094 -0.099 0.000 1.188 46 V CA 0.772 63.017 62.300 -0.092 0.000 1.168 46 V CB -1.383 30.398 31.823 -0.071 0.000 0.810 46 V HN 0.668 nan 8.190 nan 0.000 0.500 47 L N 0.951 122.132 121.223 -0.070 0.000 2.376 47 L HA -0.029 4.327 4.340 0.028 0.000 0.219 47 L C 2.700 179.507 176.870 -0.104 0.000 1.133 47 L CA 2.143 56.960 54.840 -0.039 0.000 0.816 47 L CB -1.220 40.862 42.059 0.039 0.000 0.933 47 L HN 0.576 nan 8.230 nan 0.000 0.449 48 T N -0.160 114.193 114.554 -0.334 0.000 2.607 48 T HA -0.292 4.075 4.350 0.028 0.000 0.267 48 T C 1.642 176.141 174.700 -0.336 0.000 1.049 48 T CA 2.328 63.965 62.100 -0.772 0.000 1.162 48 T CB -0.358 67.937 68.868 -0.954 0.000 0.863 48 T HN 0.510 nan 8.240 nan 0.000 0.424 49 N N 0.571 119.141 118.700 -0.217 0.000 2.586 49 N HA -0.066 4.690 4.740 0.028 0.000 0.191 49 N C 0.307 175.734 175.510 -0.138 0.000 1.085 49 N CA 0.434 53.390 53.050 -0.156 0.000 0.921 49 N CB -0.043 38.379 38.487 -0.109 0.000 0.954 49 N HN 0.281 nan 8.380 nan 0.000 0.448 50 K N 0.363 120.671 120.400 -0.153 0.000 2.274 50 K HA 0.203 4.539 4.320 0.028 0.000 0.262 50 K C -1.475 174.966 176.600 -0.266 0.000 0.961 50 K CA -0.626 55.568 56.287 -0.154 0.000 0.833 50 K CB 0.466 32.913 32.500 -0.088 0.000 1.102 50 K HN -0.098 nan 8.250 nan 0.000 0.436 51 Y N 2.234 122.326 120.300 -0.346 0.000 2.402 51 Y HA 0.353 4.924 4.550 0.035 0.000 0.333 51 Y C 0.452 176.000 175.900 -0.587 0.000 1.076 51 Y CA 0.536 58.268 58.100 -0.613 0.000 1.299 51 Y CB 1.395 39.144 38.460 -1.185 0.000 1.197 51 Y HN 0.710 nan 8.280 nan 0.000 0.517 52 A N 4.068 126.789 122.820 -0.164 0.000 3.106 52 A HA 0.260 4.597 4.320 0.028 0.000 0.227 52 A C -0.247 177.316 177.584 -0.036 0.000 0.920 52 A CA -0.613 51.399 52.037 -0.043 0.000 1.088 52 A CB -0.355 18.599 19.000 -0.077 0.000 1.233 52 A HN 0.775 nan 8.150 nan 0.000 0.503 53 E N 0.251 120.508 120.200 0.095 0.000 2.442 53 E HA 0.389 4.756 4.350 0.028 0.000 0.262 53 E C 0.986 177.472 176.600 -0.191 0.000 1.004 53 E CA 1.292 57.477 56.400 -0.359 0.000 0.928 53 E CB 0.543 29.958 29.700 -0.474 0.000 0.937 53 E HN 1.178 nan 8.360 nan 0.000 0.446 54 G N 1.050 109.602 108.800 -0.414 0.000 2.548 54 G HA2 -0.225 3.751 3.960 0.028 0.000 0.208 54 G HA3 -0.225 3.751 3.960 0.028 0.000 0.208 54 G C -1.410 173.197 174.900 -0.488 0.000 1.308 54 G CA -0.729 44.330 45.100 -0.069 0.000 0.924 54 G HN 0.430 nan 8.290 nan 0.000 0.540 55 Y N -0.181 120.152 120.300 0.055 0.000 2.602 55 Y HA 0.600 5.167 4.550 0.029 0.000 0.342 55 Y C -1.938 173.971 175.900 0.015 0.000 1.029 55 Y CA -1.899 56.232 58.100 0.052 0.000 1.080 55 Y CB 1.965 40.484 38.460 0.098 0.000 1.284 55 Y HN 0.424 nan 8.280 nan 0.000 0.485 56 P HA 0.016 nan 4.420 nan 0.000 0.258 56 P C 0.570 177.911 177.300 0.069 0.000 1.172 56 P CA 2.098 65.252 63.100 0.090 0.000 0.762 56 P CB 0.110 31.866 31.700 0.095 0.000 0.764 57 G N 3.215 112.027 108.800 0.021 0.000 2.184 57 G HA2 -0.271 3.706 3.960 0.028 0.000 0.264 57 G HA3 -0.271 3.706 3.960 0.028 0.000 0.264 57 G C 0.552 175.443 174.900 -0.014 0.000 0.975 57 G CA -0.225 44.876 45.100 0.001 0.000 0.642 57 G HN 0.550 nan 8.290 nan 0.000 0.536 58 R N -0.097 120.392 120.500 -0.018 0.000 2.648 58 R HA 0.239 4.596 4.340 0.028 0.000 0.341 58 R C 0.488 176.655 176.300 -0.222 0.000 1.154 58 R CA -0.442 55.612 56.100 -0.077 0.000 1.228 58 R CB 0.285 30.599 30.300 0.023 0.000 1.311 58 R HN 0.287 nan 8.270 nan 0.000 0.659 59 R N -0.078 120.293 120.500 -0.215 0.000 2.543 59 R HA 0.264 4.620 4.340 0.028 0.000 0.268 59 R C 0.376 176.425 176.300 -0.419 0.000 1.067 59 R CA -0.327 55.633 56.100 -0.235 0.000 1.142 59 R CB 0.524 30.796 30.300 -0.046 0.000 1.110 59 R HN 0.114 nan 8.270 nan 0.000 0.549 60 Y N -0.383 119.931 120.300 0.023 0.000 2.524 60 Y HA 0.237 4.803 4.550 0.026 0.000 0.266 60 Y C -0.366 175.349 175.900 -0.308 0.000 1.180 60 Y CA -0.048 57.976 58.100 -0.127 0.000 1.244 60 Y CB 0.207 38.563 38.460 -0.173 0.000 1.125 60 Y HN 0.401 nan 8.280 nan 0.000 0.524 61 Y N -1.205 119.119 120.300 0.039 0.000 2.562 61 Y HA 0.620 5.189 4.550 0.033 0.000 0.345 61 Y C 0.686 176.583 175.900 -0.006 0.000 1.045 61 Y CA -1.858 56.258 58.100 0.027 0.000 1.028 61 Y CB 1.291 39.777 38.460 0.043 0.000 1.297 61 Y HN -0.079 nan 8.280 nan 0.000 0.463 62 G N -0.306 108.585 108.800 0.152 0.000 2.562 62 G HA2 0.429 4.405 3.960 0.028 0.000 0.275 62 G HA3 0.429 4.405 3.960 0.028 0.000 0.275 62 G C 0.744 175.679 174.900 0.059 0.000 1.196 62 G CA -0.195 44.945 45.100 0.067 0.000 0.908 62 G HN 1.453 nan 8.290 nan 0.000 0.524 63 G N -2.065 106.738 108.800 0.005 0.000 2.143 63 G HA2 -0.291 3.686 3.960 0.028 0.000 0.249 63 G HA3 -0.291 3.686 3.960 0.028 0.000 0.249 63 G C 0.902 175.778 174.900 -0.040 0.000 0.981 63 G CA 0.543 45.633 45.100 -0.017 0.000 0.665 63 G HN 0.951 nan 8.290 nan 0.000 0.528 64 C N 0.500 119.773 119.300 -0.044 0.000 2.625 64 C HA 0.348 4.825 4.460 0.028 0.000 0.285 64 C C 2.264 177.189 174.990 -0.108 0.000 1.279 64 C CA 0.426 59.415 59.018 -0.048 0.000 1.698 64 C CB -0.711 27.019 27.740 -0.017 0.000 1.821 64 C HN 0.647 nan 8.230 nan 0.000 0.600 65 E N 0.803 120.859 120.200 -0.240 0.000 2.097 65 E HA -0.216 4.151 4.350 0.028 0.000 0.196 65 E C 1.244 177.648 176.600 -0.327 0.000 1.000 65 E CA 1.865 58.044 56.400 -0.368 0.000 0.804 65 E CB -0.240 29.076 29.700 -0.639 0.000 0.740 65 E HN 0.800 nan 8.360 nan 0.000 0.454 66 Y N -0.687 119.613 120.300 0.001 0.000 2.365 66 Y HA -0.059 4.507 4.550 0.028 0.000 0.293 66 Y C 2.285 178.182 175.900 -0.005 0.000 1.119 66 Y CA 0.425 58.524 58.100 -0.002 0.000 1.203 66 Y CB -0.072 38.384 38.460 -0.006 0.000 1.026 66 Y HN 0.022 nan 8.280 nan 0.000 0.549 67 V N -2.387 117.590 119.914 0.104 0.000 2.809 67 V HA -0.160 3.977 4.120 0.028 0.000 0.256 67 V C 1.297 177.412 176.094 0.035 0.000 1.080 67 V CA 1.787 64.120 62.300 0.054 0.000 1.102 67 V CB -0.396 31.439 31.823 0.021 0.000 0.705 67 V HN 0.176 nan 8.190 nan 0.000 0.475 68 D N 1.023 121.435 120.400 0.021 0.000 2.144 68 D HA -0.046 4.611 4.640 0.028 0.000 0.200 68 D C 2.052 178.376 176.300 0.040 0.000 0.978 68 D CA 1.747 55.760 54.000 0.022 0.000 0.833 68 D CB -0.204 40.596 40.800 -0.001 0.000 0.961 68 D HN 0.529 nan 8.370 nan 0.000 0.470 69 I N 0.201 120.803 120.570 0.053 0.000 2.179 69 I HA -0.239 3.947 4.170 0.028 0.000 0.242 69 I C 2.408 178.556 176.117 0.053 0.000 1.088 69 I CA 0.639 61.977 61.300 0.063 0.000 1.357 69 I CB -0.257 37.801 38.000 0.096 0.000 1.051 69 I HN -0.107 nan 8.210 nan 0.000 0.409 70 V N 0.755 120.699 119.914 0.050 0.000 2.287 70 V HA -0.332 3.805 4.120 0.028 0.000 0.248 70 V C 2.505 178.613 176.094 0.024 0.000 1.053 70 V CA 2.327 64.644 62.300 0.027 0.000 1.027 70 V CB -0.650 31.185 31.823 0.020 0.000 0.646 70 V HN 0.499 nan 8.190 nan 0.000 0.447 71 E N -0.425 119.795 120.200 0.033 0.000 2.106 71 E HA -0.215 4.151 4.350 0.028 0.000 0.192 71 E C 2.218 178.858 176.600 0.067 0.000 0.984 71 E CA 1.086 57.513 56.400 0.046 0.000 0.806 71 E CB 0.016 29.749 29.700 0.054 0.000 0.750 71 E HN 0.558 nan 8.360 nan 0.000 0.458 72 E N 0.369 120.607 120.200 0.063 0.000 2.152 72 E HA -0.122 4.245 4.350 0.028 0.000 0.192 72 E C 2.271 178.910 176.600 0.064 0.000 0.983 72 E CA 0.470 56.910 56.400 0.065 0.000 0.818 72 E CB -0.044 29.690 29.700 0.056 0.000 0.758 72 E HN 0.392 nan 8.360 nan 0.000 0.467 73 L N 0.565 121.822 121.223 0.056 0.000 2.046 73 L HA -0.188 4.168 4.340 0.028 0.000 0.208 73 L C 2.568 179.495 176.870 0.094 0.000 1.077 73 L CA 1.223 56.097 54.840 0.057 0.000 0.747 73 L CB -0.518 41.562 42.059 0.035 0.000 0.896 73 L HN 0.066 nan 8.230 nan 0.000 0.432 74 A N 0.171 123.049 122.820 0.097 0.000 1.858 74 A HA -0.214 4.123 4.320 0.028 0.000 0.216 74 A C 2.377 180.139 177.584 0.297 0.000 1.190 74 A CA 1.598 53.753 52.037 0.196 0.000 0.617 74 A CB -0.506 18.546 19.000 0.087 0.000 0.827 74 A HN 0.317 nan 8.150 nan 0.000 0.443 75 R N -0.648 119.948 120.500 0.161 0.000 2.081 75 R HA -0.097 4.260 4.340 0.028 0.000 0.235 75 R C 2.025 178.364 176.300 0.065 0.000 1.131 75 R CA 1.346 57.502 56.100 0.093 0.000 0.960 75 R CB -0.281 30.042 30.300 0.038 0.000 0.856 75 R HN 0.487 nan 8.270 nan 0.000 0.436 76 E N 0.539 120.780 120.200 0.069 0.000 2.107 76 E HA -0.106 4.261 4.350 0.028 0.000 0.191 76 E C 2.014 178.637 176.600 0.038 0.000 0.982 76 E CA 0.906 57.333 56.400 0.044 0.000 0.809 76 E CB -0.030 29.694 29.700 0.041 0.000 0.756 76 E HN 0.302 nan 8.360 nan 0.000 0.459 77 R N 0.627 121.176 120.500 0.082 0.000 2.092 77 R HA -0.018 4.339 4.340 0.028 0.000 0.231 77 R C 2.359 178.636 176.300 -0.038 0.000 1.119 77 R CA 1.131 57.270 56.100 0.065 0.000 0.970 77 R CB -0.302 30.102 30.300 0.174 0.000 0.864 77 R HN 0.088 nan 8.270 nan 0.000 0.440 78 A N 1.585 124.369 122.820 -0.060 0.000 1.883 78 A HA -0.234 4.103 4.320 0.028 0.000 0.217 78 A C 1.932 179.469 177.584 -0.078 0.000 1.186 78 A CA 1.625 53.506 52.037 -0.259 0.000 0.624 78 A CB -0.306 18.556 19.000 -0.229 0.000 0.822 78 A HN 0.182 nan 8.150 nan 0.000 0.444 79 K N -0.822 119.560 120.400 -0.031 0.000 2.097 79 K HA -0.174 4.162 4.320 0.028 0.000 0.206 79 K C 2.372 178.954 176.600 -0.031 0.000 1.049 79 K CA 1.602 57.886 56.287 -0.005 0.000 0.933 79 K CB -0.155 32.346 32.500 0.003 0.000 0.717 79 K HN 0.657 nan 8.250 nan 0.000 0.442 80 Q N 0.293 120.058 119.800 -0.058 0.000 2.119 80 Q HA -0.155 4.202 4.340 0.028 0.000 0.201 80 Q C 1.920 177.830 176.000 -0.150 0.000 0.972 80 Q CA 0.995 56.753 55.803 -0.076 0.000 0.847 80 Q CB 0.072 28.773 28.738 -0.062 0.000 0.903 80 Q HN 0.135 nan 8.270 nan 0.000 0.433 81 L N -0.724 120.337 121.223 -0.270 0.000 2.017 81 L HA -0.112 4.244 4.340 0.028 0.000 0.208 81 L C 1.448 177.938 176.870 -0.635 0.000 1.073 81 L CA 1.839 56.348 54.840 -0.552 0.000 0.745 81 L CB -0.385 41.161 42.059 -0.856 0.000 0.894 81 L HN 0.251 nan 8.230 nan 0.000 0.432 82 F N -1.146 118.737 119.950 -0.111 0.000 2.720 82 F HA 0.385 4.927 4.527 0.025 0.000 0.301 82 F C 1.772 177.535 175.800 -0.061 0.000 1.103 82 F CA 0.340 58.289 58.000 -0.085 0.000 1.291 82 F CB -0.354 38.572 39.000 -0.123 0.000 1.086 82 F HN 0.136 nan 8.300 nan 0.000 0.592 83 G N 0.966 109.804 108.800 0.063 0.000 2.160 83 G HA2 -0.136 3.841 3.960 0.028 0.000 0.251 83 G HA3 -0.136 3.841 3.960 0.028 0.000 0.251 83 G C 0.359 175.280 174.900 0.035 0.000 1.008 83 G CA 0.038 45.157 45.100 0.032 0.000 0.724 83 G HN 0.646 nan 8.290 nan 0.000 0.514 84 A N -0.595 122.256 122.820 0.052 0.000 2.304 84 A HA 0.734 5.070 4.320 0.028 0.000 0.271 84 A C 1.102 178.706 177.584 0.032 0.000 1.091 84 A CA 0.641 52.696 52.037 0.031 0.000 0.812 84 A CB 0.481 19.496 19.000 0.025 0.000 1.056 84 A HN 0.399 nan 8.150 nan 0.000 0.489 85 E N -0.466 119.758 120.200 0.040 0.000 2.208 85 E HA -0.054 4.313 4.350 0.028 0.000 0.193 85 E C 0.269 176.944 176.600 0.125 0.000 0.988 85 E CA 0.851 57.284 56.400 0.055 0.000 0.828 85 E CB 0.085 29.806 29.700 0.034 0.000 0.763 85 E HN 0.682 nan 8.360 nan 0.000 0.478 86 H N -1.337 117.739 119.070 0.010 0.000 2.996 86 H HA 0.575 5.149 4.556 0.029 0.000 0.368 86 H C -1.858 173.487 175.328 0.027 0.000 1.185 86 H CA -0.603 55.456 56.048 0.018 0.000 1.160 86 H CB 1.997 31.772 29.762 0.020 0.000 1.820 86 H HN 0.019 nan 8.280 nan 0.000 0.547 87 A N 3.299 125.789 122.820 -0.549 0.000 2.401 87 A HA 0.397 4.733 4.320 0.028 0.000 0.310 87 A C -1.113 176.143 177.584 -0.546 0.000 1.075 87 A CA -0.866 50.944 52.037 -0.378 0.000 0.746 87 A CB 1.513 20.420 19.000 -0.155 0.000 1.277 87 A HN 0.790 nan 8.150 nan 0.000 0.425 88 N N 0.884 119.463 118.700 -0.203 0.000 2.491 88 N HA 0.422 5.178 4.740 0.028 0.000 0.274 88 N C -0.059 175.488 175.510 0.060 0.000 1.023 88 N CA -0.518 52.523 53.050 -0.015 0.000 0.902 88 N CB 1.643 40.190 38.487 0.099 0.000 1.267 88 N HN 0.571 nan 8.380 nan 0.000 0.503 89 V N 0.856 120.832 119.914 0.104 0.000 3.444 89 V HA 0.196 4.333 4.120 0.028 0.000 0.308 89 V C 1.112 177.253 176.094 0.079 0.000 1.371 89 V CA 0.291 62.663 62.300 0.120 0.000 1.141 89 V CB 0.063 31.981 31.823 0.159 0.000 1.037 89 V HN 0.682 nan 8.190 nan 0.000 0.433 90 Q N 0.578 120.424 119.800 0.076 0.000 2.354 90 Q HA 0.176 4.533 4.340 0.028 0.000 0.203 90 Q C -1.569 174.393 176.000 -0.064 0.000 0.933 90 Q CA -0.449 55.358 55.803 0.006 0.000 0.901 90 Q CB -0.793 27.944 28.738 -0.002 0.000 1.007 90 Q HN 0.545 nan 8.270 nan 0.000 0.495 91 P HA -0.133 nan 4.420 nan 0.000 0.260 91 P C -0.140 177.155 177.300 -0.008 0.000 1.172 91 P CA 0.714 63.776 63.100 -0.063 0.000 0.760 91 P CB 0.391 32.086 31.700 -0.008 0.000 0.773 92 H N 0.499 119.568 119.070 -0.002 0.000 2.524 92 H HA 0.039 4.612 4.556 0.028 0.000 0.282 92 H C 1.024 176.352 175.328 -0.000 0.000 1.016 92 H CA 1.009 57.046 56.048 -0.018 0.000 1.270 92 H CB 0.136 29.883 29.762 -0.025 0.000 1.394 92 H HN 0.496 nan 8.280 nan 0.000 0.568 93 S N -2.946 112.836 115.700 0.136 0.000 2.636 93 S HA 0.390 4.876 4.470 0.028 0.000 0.268 93 S C 1.338 175.996 174.600 0.096 0.000 1.159 93 S CA -0.391 57.886 58.200 0.128 0.000 0.815 93 S CB 1.034 64.302 63.200 0.113 0.000 1.130 93 S HN 0.084 nan 8.310 nan 0.000 0.471 94 G N 0.668 109.531 108.800 0.104 0.000 2.442 94 G HA2 0.082 4.058 3.960 0.028 0.000 0.219 94 G HA3 0.082 4.058 3.960 0.028 0.000 0.219 94 G C 1.480 176.407 174.900 0.044 0.000 1.141 94 G CA 1.190 46.302 45.100 0.020 0.000 0.763 94 G HN 1.336 nan 8.290 nan 0.000 0.554 95 A N 0.107 122.987 122.820 0.099 0.000 1.877 95 A HA -0.063 4.274 4.320 0.028 0.000 0.216 95 A C 2.379 180.024 177.584 0.103 0.000 1.186 95 A CA 2.131 54.268 52.037 0.168 0.000 0.620 95 A CB -0.385 18.734 19.000 0.198 0.000 0.822 95 A HN 0.338 nan 8.150 nan 0.000 0.443 96 Q N -0.396 119.425 119.800 0.036 0.000 2.119 96 Q HA 0.075 4.432 4.340 0.028 0.000 0.201 96 Q C 2.283 178.259 176.000 -0.039 0.000 0.972 96 Q CA 1.602 57.385 55.803 -0.033 0.000 0.847 96 Q CB -0.661 28.064 28.738 -0.020 0.000 0.903 96 Q HN 0.643 nan 8.270 nan 0.000 0.433 97 A N 0.833 123.641 122.820 -0.020 0.000 1.883 97 A HA -0.246 4.091 4.320 0.028 0.000 0.217 97 A C 1.819 179.348 177.584 -0.092 0.000 1.186 97 A CA 1.850 53.862 52.037 -0.042 0.000 0.624 97 A CB -0.659 18.320 19.000 -0.034 0.000 0.822 97 A HN 0.351 nan 8.150 nan 0.000 0.444 98 N N -0.613 118.029 118.700 -0.097 0.000 2.084 98 N HA -0.152 4.604 4.740 0.028 0.000 0.190 98 N C 1.744 177.049 175.510 -0.342 0.000 1.030 98 N CA 1.685 54.565 53.050 -0.282 0.000 0.849 98 N CB -0.542 37.843 38.487 -0.170 0.000 1.012 98 N HN 0.641 nan 8.380 nan 0.000 0.423 99 M N 0.618 120.235 119.600 0.029 0.000 2.080 99 M HA -0.167 4.329 4.480 0.028 0.000 0.260 99 M C 1.840 178.178 176.300 0.064 0.000 1.068 99 M CA 1.794 57.178 55.300 0.140 0.000 1.109 99 M CB -0.052 32.384 32.600 -0.272 0.000 1.342 99 M HN 0.184 nan 8.290 nan 0.000 0.405 100 A N -0.484 122.315 122.820 -0.034 0.000 1.902 100 A HA -0.106 4.231 4.320 0.028 0.000 0.217 100 A C 2.027 179.608 177.584 -0.005 0.000 1.181 100 A CA 1.808 53.851 52.037 0.011 0.000 0.623 100 A CB -1.067 17.926 19.000 -0.011 0.000 0.818 100 A HN 0.441 nan 8.150 nan 0.000 0.443 101 V N -1.023 118.790 119.914 -0.169 0.000 2.295 101 V HA -0.270 3.867 4.120 0.028 0.000 0.246 101 V C 2.435 178.366 176.094 -0.271 0.000 1.049 101 V CA 1.907 63.982 62.300 -0.374 0.000 1.024 101 V CB -1.110 30.429 31.823 -0.474 0.000 0.648 101 V HN 0.636 nan 8.190 nan 0.000 0.447 102 Y N -0.854 119.382 120.300 -0.108 0.000 2.181 102 Y HA -0.201 4.367 4.550 0.029 0.000 0.288 102 Y C 2.282 178.176 175.900 -0.011 0.000 1.146 102 Y CA 0.964 58.986 58.100 -0.131 0.000 1.164 102 Y CB -1.232 37.257 38.460 0.047 0.000 0.982 102 Y HN 0.286 nan 8.280 nan 0.000 0.515 103 F N 0.579 120.618 119.950 0.149 0.000 2.216 103 F HA -0.202 4.342 4.527 0.029 0.000 0.300 103 F C 2.174 177.970 175.800 -0.008 0.000 1.085 103 F CA 1.834 59.900 58.000 0.110 0.000 1.326 103 F CB -0.448 38.602 39.000 0.083 0.000 1.027 103 F HN -0.054 nan 8.300 nan 0.000 0.497 104 T N -0.406 114.127 114.554 -0.035 0.000 2.732 104 T HA -0.122 4.245 4.350 0.028 0.000 0.261 104 T C 2.098 176.630 174.700 -0.279 0.000 1.040 104 T CA 1.971 63.964 62.100 -0.178 0.000 1.145 104 T CB -0.532 68.191 68.868 -0.243 0.000 0.866 104 T HN 0.252 nan 8.240 nan 0.000 0.427 105 V N -1.151 118.527 119.914 -0.392 0.000 3.174 105 V HA 0.428 4.564 4.120 0.028 0.000 0.254 105 V C 0.584 176.522 176.094 -0.259 0.000 1.120 105 V CA 0.242 62.280 62.300 -0.437 0.000 1.114 105 V CB -0.602 30.777 31.823 -0.740 0.000 0.756 105 V HN 0.248 nan 8.190 nan 0.000 0.467 106 L N 1.838 122.928 121.223 -0.222 0.000 2.330 106 L HA 0.627 4.984 4.340 0.028 0.000 0.271 106 L C -0.040 176.834 176.870 0.007 0.000 1.013 106 L CA -0.672 54.069 54.840 -0.164 0.000 0.816 106 L CB 1.794 43.576 42.059 -0.461 0.000 1.287 106 L HN 0.389 nan 8.230 nan 0.000 0.435 107 E N 0.269 120.506 120.200 0.062 0.000 2.248 107 E HA 0.189 4.556 4.350 0.028 0.000 0.272 107 E C -0.601 176.159 176.600 0.265 0.000 1.008 107 E CA -0.835 55.640 56.400 0.126 0.000 0.856 107 E CB 1.245 30.985 29.700 0.067 0.000 1.120 107 E HN 0.586 nan 8.360 nan 0.000 0.397 108 H N 1.409 120.569 119.070 0.150 0.000 3.140 108 H HA 0.110 4.683 4.556 0.027 0.000 0.316 108 H C 1.195 176.571 175.328 0.080 0.000 0.986 108 H CA 2.304 58.398 56.048 0.077 0.000 1.397 108 H CB 0.299 30.066 29.762 0.009 0.000 1.377 108 H HN 0.877 nan 8.280 nan 0.000 0.585 109 G N 3.636 112.204 108.800 -0.387 0.000 2.199 109 G HA2 -0.287 3.689 3.960 0.028 0.000 0.254 109 G HA3 -0.287 3.689 3.960 0.028 0.000 0.254 109 G C 0.116 174.982 174.900 -0.056 0.000 0.982 109 G CA 0.153 45.093 45.100 -0.267 0.000 0.632 109 G HN 0.737 nan 8.290 nan 0.000 0.529 110 D N 1.272 121.697 120.400 0.042 0.000 2.400 110 D HA 0.430 5.087 4.640 0.028 0.000 0.238 110 D C 0.824 177.072 176.300 -0.088 0.000 1.157 110 D CA 0.760 54.751 54.000 -0.016 0.000 0.889 110 D CB 0.657 41.432 40.800 -0.040 0.000 1.199 110 D HN 0.113 nan 8.370 nan 0.000 0.436 111 T N 1.097 115.579 114.554 -0.119 0.000 2.832 111 T HA 0.397 4.764 4.350 0.028 0.000 0.296 111 T C -0.018 174.496 174.700 -0.311 0.000 0.968 111 T CA -0.510 61.480 62.100 -0.184 0.000 1.107 111 T CB 0.739 69.548 68.868 -0.098 0.000 0.916 111 T HN -0.012 nan 8.240 nan 0.000 0.517 112 V N 4.305 123.890 119.914 -0.549 0.000 2.656 112 V HA 0.541 4.677 4.120 0.028 0.000 0.307 112 V C -0.642 175.119 176.094 -0.556 0.000 1.051 112 V CA -1.044 60.803 62.300 -0.754 0.000 0.893 112 V CB 1.915 32.788 31.823 -1.584 0.000 0.999 112 V HN 0.676 nan 8.190 nan 0.000 0.426 113 L N 3.977 125.053 121.223 -0.243 0.000 2.298 113 L HA 0.961 5.317 4.340 0.028 0.000 0.284 113 L C 0.188 177.119 176.870 0.102 0.000 1.013 113 L CA 0.514 55.344 54.840 -0.017 0.000 0.824 113 L CB 0.900 43.031 42.059 0.121 0.000 1.221 113 L HN 0.792 nan 8.230 nan 0.000 0.418 114 G N 3.933 112.767 108.800 0.056 0.000 2.818 114 G HA2 0.438 4.415 3.960 0.028 0.000 0.286 114 G HA3 0.438 4.415 3.960 0.028 0.000 0.286 114 G C -1.231 173.255 174.900 -0.690 0.000 1.364 114 G CA -0.998 44.076 45.100 -0.043 0.000 0.938 114 G HN 0.664 nan 8.290 nan 0.000 0.490 115 M N 1.658 120.831 119.600 -0.712 0.000 2.228 115 M HA 0.167 4.663 4.480 0.028 0.000 0.351 115 M C 0.601 176.620 176.300 -0.469 0.000 1.233 115 M CA -0.640 54.120 55.300 -0.900 0.000 1.129 115 M CB 0.427 32.862 32.600 -0.274 0.000 1.604 115 M HN 0.599 nan 8.290 nan 0.000 0.457 116 N N 4.402 122.804 118.700 -0.498 0.000 2.294 116 N HA -0.086 4.670 4.740 0.028 0.000 0.263 116 N C 0.648 175.994 175.510 -0.273 0.000 1.281 116 N CA 0.378 53.174 53.050 -0.423 0.000 0.846 116 N CB 0.495 38.527 38.487 -0.758 0.000 1.061 116 N HN 0.806 nan 8.380 nan 0.000 0.478 117 L N 2.355 123.445 121.223 -0.223 0.000 2.191 117 L HA -0.161 4.195 4.340 0.028 0.000 0.212 117 L C 1.864 178.654 176.870 -0.132 0.000 1.103 117 L CA 1.228 55.965 54.840 -0.171 0.000 0.769 117 L CB -0.614 41.328 42.059 -0.196 0.000 0.908 117 L HN 0.607 nan 8.230 nan 0.000 0.438 118 S N -3.088 112.537 115.700 -0.125 0.000 2.605 118 S HA 0.016 4.503 4.470 0.028 0.000 0.217 118 S C 1.145 175.793 174.600 0.080 0.000 0.958 118 S CA -0.296 57.877 58.200 -0.045 0.000 0.919 118 S CB -0.381 62.791 63.200 -0.047 0.000 0.780 118 S HN 0.535 nan 8.310 nan 0.000 0.507 119 H N -0.046 118.931 119.070 -0.156 0.000 2.755 119 H HA 0.391 4.964 4.556 0.027 0.000 0.273 119 H C 1.491 176.796 175.328 -0.038 0.000 1.055 119 H CA -0.029 55.946 56.048 -0.121 0.000 1.191 119 H CB 0.855 30.534 29.762 -0.138 0.000 1.536 119 H HN 0.588 nan 8.280 nan 0.000 0.529 120 G N 0.644 109.484 108.800 0.067 0.000 2.672 120 G HA2 -0.188 3.789 3.960 0.028 0.000 0.197 120 G HA3 -0.188 3.789 3.960 0.028 0.000 0.197 120 G C 0.721 175.652 174.900 0.052 0.000 0.995 120 G CA -0.369 44.773 45.100 0.070 0.000 0.754 120 G HN 0.502 nan 8.290 nan 0.000 0.505 121 G N 0.081 108.890 108.800 0.015 0.000 2.491 121 G HA2 0.435 4.412 3.960 0.028 0.000 0.238 121 G HA3 0.435 4.412 3.960 0.028 0.000 0.238 121 G C -0.068 174.821 174.900 -0.018 0.000 1.277 121 G CA 0.217 45.359 45.100 0.070 0.000 0.851 121 G HN 0.460 nan 8.290 nan 0.000 0.573 122 H N 1.336 120.228 119.070 -0.297 0.000 2.546 122 H HA 0.105 4.678 4.556 0.028 0.000 0.365 122 H C 1.451 176.505 175.328 -0.457 0.000 1.220 122 H CA -0.789 54.953 56.048 -0.510 0.000 1.386 122 H CB 1.540 30.805 29.762 -0.829 0.000 1.510 122 H HN 0.328 nan 8.280 nan 0.000 0.591 123 L N 2.647 123.186 121.223 -1.140 0.000 2.043 123 L HA -0.211 4.145 4.340 0.028 0.000 0.212 123 L C 2.391 178.963 176.870 -0.497 0.000 1.075 123 L CA 2.514 56.904 54.840 -0.749 0.000 0.752 123 L CB -0.734 40.877 42.059 -0.748 0.000 0.891 123 L HN 0.843 nan 8.230 nan 0.000 0.432 124 T N -4.089 110.278 114.554 -0.311 0.000 3.215 124 T HA -0.039 4.327 4.350 0.028 0.000 0.254 124 T C 0.634 175.354 174.700 0.033 0.000 1.149 124 T CA 0.335 62.406 62.100 -0.048 0.000 1.042 124 T CB -0.761 68.264 68.868 0.261 0.000 0.966 124 T HN 0.414 nan 8.240 nan 0.000 0.534 125 H N 0.559 119.508 119.070 -0.202 0.000 2.539 125 H HA 0.542 5.115 4.556 0.028 0.000 0.293 125 H C 1.560 176.307 175.328 -0.970 0.000 1.156 125 H CA -0.862 54.995 56.048 -0.318 0.000 1.012 125 H CB -0.037 29.690 29.762 -0.058 0.000 1.600 125 H HN 0.521 nan 8.280 nan 0.000 0.538 126 G N 0.015 108.034 108.800 -1.302 0.000 2.205 126 G HA2 -0.267 3.709 3.960 0.028 0.000 0.180 126 G HA3 -0.267 3.709 3.960 0.028 0.000 0.180 126 G C 0.506 175.048 174.900 -0.596 0.000 1.004 126 G CA 0.063 44.299 45.100 -1.440 0.000 0.670 126 G HN 0.517 nan 8.290 nan 0.000 0.496 127 S N 1.634 117.062 115.700 -0.453 0.000 2.558 127 S HA 0.371 4.858 4.470 0.028 0.000 0.293 127 S C -0.030 174.435 174.600 -0.226 0.000 1.292 127 S CA 0.203 58.230 58.200 -0.289 0.000 1.063 127 S CB 1.183 64.229 63.200 -0.257 0.000 0.831 127 S HN 0.180 nan 8.310 nan 0.000 0.499 128 P HA 0.003 nan 4.420 nan 0.000 0.233 128 P C 0.978 178.239 177.300 -0.066 0.000 1.167 128 P CA 0.668 63.712 63.100 -0.094 0.000 0.770 128 P CB -0.320 31.341 31.700 -0.064 0.000 0.837 129 V N -4.355 115.520 119.914 -0.066 0.000 3.542 129 V HA 0.284 4.420 4.120 0.028 0.000 0.296 129 V C 0.649 176.727 176.094 -0.027 0.000 1.364 129 V CA -0.423 61.860 62.300 -0.029 0.000 1.118 129 V CB -0.963 30.856 31.823 -0.007 0.000 0.972 129 V HN 0.011 nan 8.190 nan 0.000 0.430 130 N N 0.494 119.149 118.700 -0.075 0.000 2.404 130 N HA 0.268 5.025 4.740 0.028 0.000 0.297 130 N C 0.931 176.403 175.510 -0.064 0.000 1.163 130 N CA -0.161 52.849 53.050 -0.066 0.000 0.864 130 N CB 2.234 40.606 38.487 -0.192 0.000 1.247 130 N HN 0.197 nan 8.380 nan 0.000 0.510 131 F N 2.162 122.125 119.950 0.022 0.000 2.154 131 F HA -0.177 4.366 4.527 0.028 0.000 0.301 131 F C 2.390 178.226 175.800 0.060 0.000 1.087 131 F CA 1.535 59.560 58.000 0.041 0.000 1.274 131 F CB -1.032 38.017 39.000 0.082 0.000 1.009 131 F HN 0.470 nan 8.300 nan 0.000 0.485 132 S N 0.583 115.657 115.700 -1.043 0.000 2.365 132 S HA -0.144 4.342 4.470 0.028 0.000 0.225 132 S C 2.285 176.783 174.600 -0.170 0.000 1.039 132 S CA 1.278 59.159 58.200 -0.531 0.000 1.033 132 S CB -1.780 61.008 63.200 -0.686 0.000 0.887 132 S HN 0.597 nan 8.310 nan 0.000 0.447 133 G N 0.307 108.932 108.800 -0.292 0.000 2.511 133 G HA2 0.098 4.075 3.960 0.028 0.000 0.217 133 G HA3 0.098 4.075 3.960 0.028 0.000 0.217 133 G C 1.352 176.213 174.900 -0.065 0.000 1.133 133 G CA 0.639 45.654 45.100 -0.143 0.000 0.792 133 G HN 0.483 nan 8.290 nan 0.000 0.539 134 V N 0.157 120.024 119.914 -0.077 0.000 2.407 134 V HA -0.102 4.035 4.120 0.028 0.000 0.245 134 V C 2.637 178.681 176.094 -0.084 0.000 1.041 134 V CA 2.010 64.285 62.300 -0.041 0.000 1.040 134 V CB 0.086 31.915 31.823 0.009 0.000 0.671 134 V HN 0.409 nan 8.190 nan 0.000 0.455 135 Q N -0.876 118.807 119.800 -0.195 0.000 2.137 135 Q HA 0.005 4.362 4.340 0.028 0.000 0.198 135 Q C 0.047 175.587 176.000 -0.767 0.000 0.960 135 Q CA 1.183 56.709 55.803 -0.461 0.000 0.847 135 Q CB 0.142 28.459 28.738 -0.703 0.000 0.915 135 Q HN 0.670 nan 8.270 nan 0.000 0.448 136 Y N -1.084 119.200 120.300 -0.027 0.000 2.630 136 Y HA 0.411 4.977 4.550 0.027 0.000 0.337 136 Y C -0.483 175.382 175.900 -0.059 0.000 1.051 136 Y CA -1.940 56.099 58.100 -0.102 0.000 1.121 136 Y CB 0.626 38.991 38.460 -0.158 0.000 1.299 136 Y HN -0.175 nan 8.280 nan 0.000 0.498 137 N N 1.022 119.736 118.700 0.023 0.000 2.602 137 N HA 0.229 4.985 4.740 0.028 0.000 0.238 137 N C -1.801 173.658 175.510 -0.085 0.000 1.084 137 N CA -0.128 52.906 53.050 -0.027 0.000 0.952 137 N CB -0.332 38.114 38.487 -0.068 0.000 1.244 137 N HN 0.420 nan 8.380 nan 0.000 0.512 138 F N 2.368 122.250 119.950 -0.114 0.000 2.396 138 F HA 0.321 4.865 4.527 0.028 0.000 0.343 138 F C 0.608 176.301 175.800 -0.178 0.000 1.104 138 F CA -0.420 57.494 58.000 -0.143 0.000 1.161 138 F CB 1.019 39.934 39.000 -0.142 0.000 1.146 138 F HN 0.151 nan 8.300 nan 0.000 0.522 139 V N 0.708 120.575 119.914 -0.078 0.000 2.914 139 V HA 0.985 5.121 4.120 0.028 0.000 0.314 139 V C -0.689 175.347 176.094 -0.097 0.000 1.084 139 V CA -1.086 61.099 62.300 -0.192 0.000 0.963 139 V CB 1.234 32.756 31.823 -0.501 0.000 1.025 139 V HN 0.915 nan 8.190 nan 0.000 0.432 140 A N 2.718 125.468 122.820 -0.116 0.000 2.380 140 A HA 0.976 5.313 4.320 0.028 0.000 0.315 140 A C -1.063 176.460 177.584 -0.102 0.000 1.101 140 A CA -0.751 51.179 52.037 -0.179 0.000 0.771 140 A CB 1.653 20.507 19.000 -0.244 0.000 1.287 140 A HN 1.624 nan 8.150 nan 0.000 0.436 141 Y N -0.568 119.717 120.300 -0.026 0.000 2.487 141 Y HA 0.827 5.393 4.550 0.027 0.000 0.337 141 Y C 0.424 176.281 175.900 -0.073 0.000 1.076 141 Y CA -0.939 57.145 58.100 -0.026 0.000 1.115 141 Y CB 0.956 39.410 38.460 -0.010 0.000 1.235 141 Y HN 0.812 nan 8.280 nan 0.000 0.468 142 G N 0.507 109.419 108.800 0.187 0.000 2.788 142 G HA2 0.607 4.584 3.960 0.028 0.000 0.293 142 G HA3 0.607 4.584 3.960 0.028 0.000 0.293 142 G C -0.994 174.114 174.900 0.348 0.000 1.305 142 G CA -0.705 44.520 45.100 0.208 0.000 1.005 142 G HN 1.091 nan 8.290 nan 0.000 0.496 143 V N -1.910 118.311 119.914 0.511 0.000 2.837 143 V HA 0.518 4.655 4.120 0.028 0.000 0.310 143 V C 0.155 176.456 176.094 0.345 0.000 1.059 143 V CA -1.099 61.389 62.300 0.314 0.000 1.004 143 V CB 1.756 33.753 31.823 0.290 0.000 1.045 143 V HN 0.698 nan 8.190 nan 0.000 0.465 144 D N 3.268 123.807 120.400 0.233 0.000 2.443 144 D HA 0.147 4.803 4.640 0.028 0.000 0.239 144 D C -1.607 174.787 176.300 0.158 0.000 1.136 144 D CA -1.216 52.878 54.000 0.156 0.000 0.879 144 D CB 2.035 42.880 40.800 0.075 0.000 1.195 144 D HN 0.481 nan 8.370 nan 0.000 0.443 145 P HA -0.082 nan 4.420 nan 0.000 0.225 145 P C 0.522 177.724 177.300 -0.164 0.000 1.148 145 P CA 1.007 63.953 63.100 -0.256 0.000 0.779 145 P CB 0.561 31.911 31.700 -0.584 0.000 0.780 146 E N -1.046 119.033 120.200 -0.203 0.000 2.228 146 E HA -0.024 4.343 4.350 0.028 0.000 0.197 146 E C 1.986 178.305 176.600 -0.469 0.000 0.909 146 E CA 1.324 57.546 56.400 -0.297 0.000 0.911 146 E CB -0.938 28.666 29.700 -0.161 0.000 0.887 146 E HN 0.217 nan 8.360 nan 0.000 0.481 147 T N -2.045 112.343 114.554 -0.276 0.000 3.043 147 T HA -0.061 4.306 4.350 0.028 0.000 0.263 147 T C 0.141 174.755 174.700 -0.143 0.000 1.094 147 T CA 0.707 62.691 62.100 -0.193 0.000 1.127 147 T CB -0.165 68.678 68.868 -0.041 0.000 0.905 147 T HN 0.166 nan 8.240 nan 0.000 0.490 148 H N -0.728 118.395 119.070 0.088 0.000 2.958 148 H HA -0.104 4.469 4.556 0.028 0.000 0.274 148 H C -0.206 175.249 175.328 0.212 0.000 1.184 148 H CA 0.443 56.566 56.048 0.126 0.000 1.143 148 H CB -2.611 27.201 29.762 0.084 0.000 1.297 148 H HN 0.398 nan 8.280 nan 0.000 0.356 149 V N 1.316 121.396 119.914 0.276 0.000 2.539 149 V HA 0.231 4.368 4.120 0.028 0.000 0.292 149 V C 1.613 177.863 176.094 0.260 0.000 1.045 149 V CA -0.722 61.784 62.300 0.343 0.000 0.945 149 V CB 1.891 33.855 31.823 0.235 0.000 0.993 149 V HN 0.171 nan 8.190 nan 0.000 0.464 150 I N 3.410 124.095 120.570 0.190 0.000 2.906 150 I HA -0.073 4.114 4.170 0.028 0.000 0.302 150 I C 0.661 176.619 176.117 -0.266 0.000 1.220 150 I CA 0.680 61.865 61.300 -0.191 0.000 1.441 150 I CB 0.127 37.761 38.000 -0.611 0.000 1.336 150 I HN 0.628 nan 8.210 nan 0.000 0.565 151 D N 6.765 127.057 120.400 -0.181 0.000 2.441 151 D HA 0.063 4.720 4.640 0.028 0.000 0.221 151 D C 0.634 176.778 176.300 -0.259 0.000 1.156 151 D CA -0.124 53.816 54.000 -0.101 0.000 0.896 151 D CB 0.363 41.178 40.800 0.026 0.000 1.028 151 D HN 0.343 nan 8.370 nan 0.000 0.509 152 Y N 1.514 121.724 120.300 -0.150 0.000 2.333 152 Y HA -0.159 4.407 4.550 0.027 0.000 0.290 152 Y C 2.010 177.800 175.900 -0.184 0.000 1.144 152 Y CA 0.862 58.804 58.100 -0.263 0.000 1.228 152 Y CB 0.162 38.463 38.460 -0.265 0.000 0.985 152 Y HN 0.390 nan 8.280 nan 0.000 0.542 153 D N -0.165 120.247 120.400 0.020 0.000 2.144 153 D HA -0.178 4.478 4.640 0.028 0.000 0.200 153 D C 1.586 177.879 176.300 -0.012 0.000 0.978 153 D CA 1.556 55.558 54.000 0.002 0.000 0.833 153 D CB -0.279 40.530 40.800 0.014 0.000 0.961 153 D HN 0.406 nan 8.370 nan 0.000 0.470 154 D N 0.460 120.851 120.400 -0.014 0.000 2.144 154 D HA -0.114 4.542 4.640 0.028 0.000 0.200 154 D C 2.125 178.428 176.300 0.004 0.000 0.978 154 D CA 0.452 54.464 54.000 0.020 0.000 0.833 154 D CB 0.151 40.989 40.800 0.064 0.000 0.961 154 D HN -0.081 nan 8.370 nan 0.000 0.470 155 V N 0.528 120.364 119.914 -0.130 0.000 2.332 155 V HA -0.233 3.904 4.120 0.028 0.000 0.248 155 V C 2.618 178.667 176.094 -0.075 0.000 1.055 155 V CA 2.079 64.255 62.300 -0.207 0.000 1.038 155 V CB -0.620 30.816 31.823 -0.646 0.000 0.651 155 V HN 0.232 nan 8.190 nan 0.000 0.450 156 R N 0.117 120.571 120.500 -0.076 0.000 2.075 156 R HA -0.195 4.161 4.340 0.028 0.000 0.232 156 R C 2.396 178.696 176.300 0.000 0.000 1.126 156 R CA 1.906 57.987 56.100 -0.031 0.000 0.963 156 R CB -0.249 30.030 30.300 -0.035 0.000 0.858 156 R HN 0.693 nan 8.270 nan 0.000 0.435 157 E N 0.221 120.425 120.200 0.007 0.000 2.072 157 E HA -0.177 4.189 4.350 0.028 0.000 0.191 157 E C 1.427 178.043 176.600 0.026 0.000 0.985 157 E CA 0.944 57.350 56.400 0.011 0.000 0.801 157 E CB 0.217 29.926 29.700 0.015 0.000 0.750 157 E HN 0.140 nan 8.360 nan 0.000 0.452 158 K N 0.419 120.869 120.400 0.083 0.000 2.057 158 K HA -0.065 4.272 4.320 0.028 0.000 0.206 158 K C 2.095 178.798 176.600 0.170 0.000 1.050 158 K CA 1.053 57.451 56.287 0.184 0.000 0.935 158 K CB -0.474 32.177 32.500 0.251 0.000 0.715 158 K HN 0.199 nan 8.250 nan 0.000 0.439 159 A N 1.718 124.606 122.820 0.114 0.000 1.877 159 A HA -0.183 4.153 4.320 0.028 0.000 0.216 159 A C 2.244 179.859 177.584 0.052 0.000 1.186 159 A CA 1.538 53.631 52.037 0.093 0.000 0.620 159 A CB -0.434 18.608 19.000 0.070 0.000 0.822 159 A HN 0.267 nan 8.150 nan 0.000 0.443 160 R N -1.290 119.222 120.500 0.020 0.000 2.115 160 R HA -0.045 4.311 4.340 0.028 0.000 0.230 160 R C 2.063 178.340 176.300 -0.039 0.000 1.111 160 R CA 1.241 57.338 56.100 -0.006 0.000 0.976 160 R CB -0.391 29.902 30.300 -0.012 0.000 0.870 160 R HN 0.506 nan 8.270 nan 0.000 0.445 161 L N -0.118 121.054 121.223 -0.084 0.000 2.049 161 L HA -0.077 4.280 4.340 0.028 0.000 0.203 161 L C 1.783 178.504 176.870 -0.247 0.000 1.074 161 L CA 1.887 56.599 54.840 -0.212 0.000 0.749 161 L CB -0.392 41.438 42.059 -0.382 0.000 0.907 161 L HN 0.169 nan 8.230 nan 0.000 0.439 162 H N 0.717 119.789 119.070 0.004 0.000 2.551 162 H HA 0.212 4.785 4.556 0.028 0.000 0.266 162 H C -0.008 175.314 175.328 -0.012 0.000 0.964 162 H CA 0.247 56.292 56.048 -0.005 0.000 1.180 162 H CB 0.143 29.901 29.762 -0.006 0.000 1.408 162 H HN 0.199 nan 8.280 nan 0.000 0.563 163 R N 0.437 120.985 120.500 0.080 0.000 3.127 163 R HA -0.109 4.248 4.340 0.028 0.000 0.247 163 R C -2.609 173.712 176.300 0.035 0.000 0.896 163 R CA 0.073 56.199 56.100 0.043 0.000 0.624 163 R CB -2.354 27.958 30.300 0.021 0.000 1.154 163 R HN 0.427 nan 8.270 nan 0.000 0.474 164 P HA 0.091 nan 4.420 nan 0.000 0.274 164 P C 0.526 177.819 177.300 -0.012 0.000 1.231 164 P CA -0.306 62.785 63.100 -0.016 0.000 0.790 164 P CB 0.918 32.604 31.700 -0.025 0.000 0.951 165 K N 0.765 121.142 120.400 -0.038 0.000 2.296 165 K HA 0.031 4.368 4.320 0.028 0.000 0.200 165 K C 0.358 177.004 176.600 0.077 0.000 1.048 165 K CA 0.478 56.773 56.287 0.013 0.000 0.966 165 K CB 0.015 32.514 32.500 -0.001 0.000 0.754 165 K HN 0.330 nan 8.250 nan 0.000 0.466 166 L N 0.713 121.934 121.223 -0.003 0.000 2.409 166 L HA 0.479 4.836 4.340 0.028 0.000 0.262 166 L C -1.626 175.256 176.870 0.019 0.000 0.992 166 L CA -0.675 54.192 54.840 0.045 0.000 0.817 166 L CB 1.982 44.010 42.059 -0.052 0.000 1.350 166 L HN -0.083 nan 8.230 nan 0.000 0.411 167 I N 4.361 124.999 120.570 0.114 0.000 2.433 167 I HA 0.522 4.709 4.170 0.028 0.000 0.292 167 I C -0.891 175.311 176.117 0.142 0.000 1.001 167 I CA -0.975 60.420 61.300 0.158 0.000 1.119 167 I CB 2.012 40.163 38.000 0.252 0.000 1.289 167 I HN 0.243 nan 8.210 nan 0.000 0.438 168 V N 5.284 125.272 119.914 0.124 0.000 2.435 168 V HA 0.741 4.878 4.120 0.028 0.000 0.290 168 V C 0.181 176.241 176.094 -0.057 0.000 1.030 168 V CA -0.423 61.888 62.300 0.019 0.000 0.881 168 V CB 1.541 33.350 31.823 -0.023 0.000 0.983 168 V HN 0.845 nan 8.190 nan 0.000 0.445 169 A N 3.951 126.624 122.820 -0.244 0.000 2.380 169 A HA 1.059 5.396 4.320 0.028 0.000 0.315 169 A C -0.013 177.467 177.584 -0.173 0.000 1.101 169 A CA 0.035 51.788 52.037 -0.473 0.000 0.771 169 A CB 1.595 19.887 19.000 -1.180 0.000 1.287 169 A HN 2.503 nan 8.150 nan 0.000 0.436 170 A N -0.838 121.957 122.820 -0.042 0.000 2.438 170 A HA 0.563 4.900 4.320 0.028 0.000 0.686 170 A C -0.217 177.481 177.584 0.190 0.000 0.142 170 A CA 0.010 52.116 52.037 0.116 0.000 0.029 170 A CB -1.536 17.560 19.000 0.161 0.000 3.973 170 A HN 2.977 nan 8.150 nan 0.000 0.548 171 A N -1.020 121.942 122.820 0.236 0.000 2.588 171 A HA 0.889 5.226 4.320 0.028 0.000 0.290 171 A C 0.566 178.233 177.584 0.138 0.000 1.136 171 A CA 0.664 52.837 52.037 0.226 0.000 0.681 171 A CB 0.801 19.915 19.000 0.189 0.000 1.282 171 A HN 2.011 nan 8.150 nan 0.000 0.421 172 S N -0.821 114.909 115.700 0.051 0.000 2.511 172 S HA 0.429 4.916 4.470 0.028 0.000 0.214 172 S C 0.696 175.088 174.600 -0.347 0.000 0.997 172 S CA 0.804 58.905 58.200 -0.164 0.000 0.908 172 S CB 0.446 63.717 63.200 0.119 0.000 0.803 172 S HN 1.694 nan 8.310 nan 0.000 0.504 173 A N 0.756 123.506 122.820 -0.116 0.000 3.106 173 A HA 0.471 4.808 4.320 0.028 0.000 0.227 173 A C -0.963 176.652 177.584 0.053 0.000 0.920 173 A CA -0.290 51.694 52.037 -0.087 0.000 1.088 173 A CB 0.093 19.058 19.000 -0.058 0.000 1.233 173 A HN 0.321 nan 8.150 nan 0.000 0.503 174 Y N 1.798 122.059 120.300 -0.065 0.000 2.326 174 Y HA 0.550 5.116 4.550 0.027 0.000 0.331 174 Y C -2.248 173.658 175.900 0.011 0.000 0.962 174 Y CA -2.242 55.864 58.100 0.010 0.000 1.167 174 Y CB 2.289 40.796 38.460 0.080 0.000 1.148 174 Y HN 0.242 nan 8.280 nan 0.000 0.463 175 P HA 0.093 nan 4.420 nan 0.000 0.249 175 P C -0.170 176.921 177.300 -0.348 0.000 1.229 175 P CA 0.584 63.507 63.100 -0.294 0.000 0.788 175 P CB 0.566 32.138 31.700 -0.213 0.000 1.072 176 R N -0.141 119.940 120.500 -0.698 0.000 2.902 176 R HA 0.496 4.852 4.340 0.028 0.000 0.258 176 R C 0.515 176.765 176.300 -0.083 0.000 1.071 176 R CA -1.519 54.343 56.100 -0.397 0.000 1.024 176 R CB 0.607 30.663 30.300 -0.407 0.000 1.184 176 R HN 0.016 nan 8.270 nan 0.000 0.492 177 I N 2.032 122.608 120.570 0.009 0.000 2.648 177 I HA 0.032 4.219 4.170 0.028 0.000 0.284 177 I C 0.503 176.719 176.117 0.166 0.000 1.153 177 I CA 0.324 61.633 61.300 0.015 0.000 1.426 177 I CB 0.375 38.241 38.000 -0.224 0.000 1.381 177 I HN 0.239 nan 8.210 nan 0.000 0.571 178 I N 5.436 126.103 120.570 0.161 0.000 2.385 178 I HA 0.101 4.288 4.170 0.028 0.000 0.294 178 I C 0.219 176.078 176.117 -0.431 0.000 0.988 178 I CA -0.289 61.018 61.300 0.012 0.000 1.265 178 I CB 1.013 38.988 38.000 -0.042 0.000 1.388 178 I HN 0.486 nan 8.210 nan 0.000 0.480 179 D N 6.457 126.776 120.400 -0.134 0.000 2.494 179 D HA 0.142 4.799 4.640 0.028 0.000 0.217 179 D C 0.777 176.997 176.300 -0.133 0.000 1.153 179 D CA -0.076 53.752 54.000 -0.288 0.000 0.954 179 D CB 0.322 40.843 40.800 -0.465 0.000 1.034 179 D HN 0.367 nan 8.370 nan 0.000 0.518 180 F N 1.772 121.716 119.950 -0.011 0.000 2.216 180 F HA -0.133 4.411 4.527 0.028 0.000 0.300 180 F C 2.533 178.123 175.800 -0.350 0.000 1.085 180 F CA 0.611 58.569 58.000 -0.071 0.000 1.326 180 F CB -0.023 38.918 39.000 -0.097 0.000 1.027 180 F HN 0.432 nan 8.300 nan 0.000 0.497 181 A N 0.575 123.021 122.820 -0.623 0.000 1.902 181 A HA -0.207 4.130 4.320 0.028 0.000 0.217 181 A C 2.177 179.672 177.584 -0.148 0.000 1.181 181 A CA 1.628 53.358 52.037 -0.512 0.000 0.623 181 A CB -0.533 18.210 19.000 -0.430 0.000 0.818 181 A HN 0.312 nan 8.150 nan 0.000 0.443 182 K N -1.614 118.670 120.400 -0.193 0.000 2.097 182 K HA -0.050 4.287 4.320 0.028 0.000 0.205 182 K C 1.666 178.219 176.600 -0.077 0.000 1.050 182 K CA 1.326 57.490 56.287 -0.204 0.000 0.938 182 K CB -0.315 31.889 32.500 -0.493 0.000 0.718 182 K HN 0.453 nan 8.250 nan 0.000 0.442 183 F N 1.345 121.314 119.950 0.032 0.000 2.134 183 F HA -0.185 4.359 4.527 0.029 0.000 0.299 183 F C 2.620 178.473 175.800 0.089 0.000 1.097 183 F CA 1.318 59.373 58.000 0.092 0.000 1.264 183 F CB -0.167 38.931 39.000 0.163 0.000 1.001 183 F HN -0.073 nan 8.300 nan 0.000 0.479 184 R N 0.919 121.586 120.500 0.278 0.000 2.075 184 R HA -0.164 4.193 4.340 0.028 0.000 0.232 184 R C 2.075 178.462 176.300 0.145 0.000 1.126 184 R CA 1.808 58.037 56.100 0.215 0.000 0.963 184 R CB -0.807 29.642 30.300 0.248 0.000 0.858 184 R HN 0.414 nan 8.270 nan 0.000 0.435 185 E N -0.161 120.096 120.200 0.095 0.000 2.118 185 E HA -0.186 4.180 4.350 0.028 0.000 0.195 185 E C 1.842 178.468 176.600 0.044 0.000 0.992 185 E CA 1.606 58.038 56.400 0.053 0.000 0.804 185 E CB -0.116 29.590 29.700 0.010 0.000 0.741 185 E HN 0.456 nan 8.360 nan 0.000 0.458 186 I N 0.740 121.333 120.570 0.038 0.000 2.286 186 I HA -0.207 3.979 4.170 0.028 0.000 0.245 186 I C 2.609 178.767 176.117 0.068 0.000 1.104 186 I CA 0.842 62.160 61.300 0.030 0.000 1.397 186 I CB -0.322 37.670 38.000 -0.013 0.000 1.072 186 I HN 0.156 nan 8.210 nan 0.000 0.417 187 A N 0.692 123.583 122.820 0.119 0.000 1.908 187 A HA -0.264 4.072 4.320 0.028 0.000 0.218 187 A C 1.935 179.574 177.584 0.092 0.000 1.181 187 A CA 2.238 54.355 52.037 0.133 0.000 0.627 187 A CB -0.642 18.483 19.000 0.207 0.000 0.818 187 A HN 0.343 nan 8.150 nan 0.000 0.445 188 D N -0.797 119.659 120.400 0.093 0.000 2.144 188 D HA -0.147 4.509 4.640 0.028 0.000 0.199 188 D C 1.871 178.193 176.300 0.036 0.000 0.984 188 D CA 1.411 55.450 54.000 0.065 0.000 0.834 188 D CB -0.393 40.447 40.800 0.067 0.000 0.955 188 D HN 0.743 nan 8.370 nan 0.000 0.465 189 E N 0.383 120.603 120.200 0.033 0.000 2.118 189 E HA -0.161 4.206 4.350 0.028 0.000 0.195 189 E C 1.688 178.296 176.600 0.013 0.000 0.992 189 E CA 1.350 57.761 56.400 0.019 0.000 0.804 189 E CB 0.261 29.968 29.700 0.013 0.000 0.741 189 E HN 0.244 nan 8.360 nan 0.000 0.458 190 V N -3.491 116.435 119.914 0.019 0.000 3.578 190 V HA 0.444 4.581 4.120 0.028 0.000 0.290 190 V C 0.935 177.029 176.094 -0.001 0.000 1.376 190 V CA 0.308 62.615 62.300 0.012 0.000 1.083 190 V CB 0.106 31.943 31.823 0.022 0.000 0.911 190 V HN 0.268 nan 8.190 nan 0.000 0.433 191 G N 0.406 109.200 108.800 -0.009 0.000 2.272 191 G HA2 0.057 4.034 3.960 0.028 0.000 0.280 191 G HA3 0.057 4.034 3.960 0.028 0.000 0.280 191 G C 0.152 174.999 174.900 -0.089 0.000 1.067 191 G CA 0.414 45.484 45.100 -0.050 0.000 0.902 191 G HN 1.666 nan 8.290 nan 0.000 0.500 192 A N -0.695 122.096 122.820 -0.047 0.000 2.330 192 A HA 0.886 5.223 4.320 0.028 0.000 0.329 192 A C -0.041 177.507 177.584 -0.060 0.000 1.135 192 A CA -0.851 51.165 52.037 -0.035 0.000 0.817 192 A CB 1.030 20.064 19.000 0.057 0.000 1.269 192 A HN 0.547 nan 8.150 nan 0.000 0.469 193 Y N -0.375 119.918 120.300 -0.011 0.000 2.299 193 Y HA 0.430 4.997 4.550 0.028 0.000 0.335 193 Y C 0.247 176.281 175.900 0.223 0.000 1.287 193 Y CA 0.169 58.249 58.100 -0.034 0.000 1.424 193 Y CB 0.815 39.252 38.460 -0.039 0.000 1.326 193 Y HN 0.559 nan 8.280 nan 0.000 0.567 194 L N 3.573 125.191 121.223 0.658 0.000 2.356 194 L HA 0.530 4.887 4.340 0.028 0.000 0.277 194 L C -0.989 176.083 176.870 0.337 0.000 0.996 194 L CA -0.851 54.224 54.840 0.392 0.000 0.822 194 L CB 1.342 43.574 42.059 0.289 0.000 1.256 194 L HN 0.715 nan 8.230 nan 0.000 0.413 195 M N 5.752 125.487 119.600 0.224 0.000 2.227 195 M HA 0.636 5.133 4.480 0.028 0.000 0.335 195 M C -1.726 174.578 176.300 0.007 0.000 1.053 195 M CA -0.604 54.795 55.300 0.164 0.000 0.973 195 M CB 1.586 34.267 32.600 0.135 0.000 1.623 195 M HN 0.429 nan 8.290 nan 0.000 0.434 196 V N 4.222 124.097 119.914 -0.065 0.000 2.384 196 V HA 0.277 4.414 4.120 0.028 0.000 0.287 196 V C -0.602 175.412 176.094 -0.133 0.000 1.020 196 V CA -0.599 61.600 62.300 -0.169 0.000 0.850 196 V CB 1.538 33.120 31.823 -0.401 0.000 0.987 196 V HN 0.774 nan 8.190 nan 0.000 0.436 197 D N 5.800 126.146 120.400 -0.090 0.000 2.441 197 D HA 0.238 4.894 4.640 0.028 0.000 0.221 197 D C 0.783 177.071 176.300 -0.019 0.000 1.156 197 D CA -0.453 53.527 54.000 -0.033 0.000 0.896 197 D CB 1.108 41.953 40.800 0.075 0.000 1.028 197 D HN 0.610 nan 8.370 nan 0.000 0.509 198 M N 1.679 121.223 119.600 -0.093 0.000 2.530 198 M HA 0.360 4.857 4.480 0.028 0.000 0.231 198 M C 1.393 177.648 176.300 -0.076 0.000 1.180 198 M CA -0.412 54.838 55.300 -0.083 0.000 0.985 198 M CB 0.653 33.148 32.600 -0.175 0.000 1.623 198 M HN 0.136 nan 8.290 nan 0.000 0.475 199 A N 1.028 123.803 122.820 -0.074 0.000 1.915 199 A HA -0.257 4.079 4.320 0.028 0.000 0.220 199 A C 1.810 179.304 177.584 -0.149 0.000 1.198 199 A CA 2.482 54.434 52.037 -0.143 0.000 0.647 199 A CB -1.260 17.637 19.000 -0.171 0.000 0.825 199 A HN 0.738 nan 8.150 nan 0.000 0.456 200 H N -0.492 118.532 119.070 -0.077 0.000 2.395 200 H HA 0.054 4.628 4.556 0.030 0.000 0.299 200 H C 1.746 176.933 175.328 -0.234 0.000 1.070 200 H CA 1.691 57.694 56.048 -0.075 0.000 1.356 200 H CB -0.070 29.773 29.762 0.136 0.000 1.401 200 H HN 0.667 nan 8.280 nan 0.000 0.524 201 I N -2.946 117.605 120.570 -0.031 0.000 3.928 201 I HA 0.380 4.566 4.170 0.028 0.000 0.335 201 I C 1.944 178.039 176.117 -0.036 0.000 1.325 201 I CA 0.296 61.539 61.300 -0.095 0.000 1.107 201 I CB 0.191 38.118 38.000 -0.120 0.000 1.014 201 I HN 0.073 nan 8.210 nan 0.000 0.400 202 A N 2.414 125.216 122.820 -0.030 0.000 1.903 202 A HA -0.163 4.174 4.320 0.028 0.000 0.219 202 A C 2.357 180.103 177.584 0.270 0.000 1.191 202 A CA 2.325 54.406 52.037 0.072 0.000 0.638 202 A CB -1.514 17.481 19.000 -0.008 0.000 0.823 202 A HN 0.555 nan 8.150 nan 0.000 0.451 203 G N -0.527 108.411 108.800 0.230 0.000 2.422 203 G HA2 -0.114 3.862 3.960 0.028 0.000 0.218 203 G HA3 -0.114 3.862 3.960 0.028 0.000 0.218 203 G C 1.523 176.614 174.900 0.317 0.000 1.146 203 G CA 0.996 46.334 45.100 0.396 0.000 0.769 203 G HN 0.463 nan 8.290 nan 0.000 0.547 204 L N 0.206 121.531 121.223 0.170 0.000 2.056 204 L HA -0.044 4.313 4.340 0.028 0.000 0.207 204 L C 2.944 179.947 176.870 0.222 0.000 1.078 204 L CA 0.341 55.272 54.840 0.152 0.000 0.749 204 L CB -0.652 41.491 42.059 0.140 0.000 0.901 204 L HN 0.062 nan 8.230 nan 0.000 0.433 205 V N 0.551 120.620 119.914 0.259 0.000 2.287 205 V HA -0.305 3.832 4.120 0.028 0.000 0.248 205 V C 2.837 179.092 176.094 0.267 0.000 1.053 205 V CA 1.918 64.406 62.300 0.314 0.000 1.027 205 V CB -0.884 31.146 31.823 0.345 0.000 0.646 205 V HN 0.483 nan 8.190 nan 0.000 0.447 206 A N -0.144 122.825 122.820 0.248 0.000 1.933 206 A HA -0.068 4.268 4.320 0.028 0.000 0.218 206 A C 2.206 179.831 177.584 0.067 0.000 1.175 206 A CA 1.932 53.950 52.037 -0.032 0.000 0.628 206 A CB -0.585 18.326 19.000 -0.147 0.000 0.814 206 A HN 0.618 nan 8.150 nan 0.000 0.444 207 A N -1.820 121.114 122.820 0.190 0.000 2.251 207 A HA 0.425 4.761 4.320 0.028 0.000 0.209 207 A C 1.686 179.334 177.584 0.107 0.000 1.187 207 A CA 1.100 53.234 52.037 0.161 0.000 0.823 207 A CB -0.965 18.121 19.000 0.143 0.000 0.846 207 A HN 1.903 nan 8.150 nan 0.000 0.486 208 G N -1.033 107.838 108.800 0.117 0.000 2.147 208 G HA2 -0.242 3.735 3.960 0.028 0.000 0.244 208 G HA3 -0.242 3.735 3.960 0.028 0.000 0.244 208 G C 0.522 175.488 174.900 0.110 0.000 1.005 208 G CA 0.526 45.693 45.100 0.110 0.000 0.713 208 G HN 0.529 nan 8.290 nan 0.000 0.515 209 L N -0.398 120.902 121.223 0.129 0.000 2.640 209 L HA 0.370 4.727 4.340 0.028 0.000 0.230 209 L C 0.931 177.894 176.870 0.156 0.000 1.123 209 L CA -0.119 54.786 54.840 0.109 0.000 0.900 209 L CB 0.280 42.384 42.059 0.075 0.000 1.146 209 L HN 0.399 nan 8.230 nan 0.000 0.484 210 H N 0.446 119.589 119.070 0.120 0.000 2.759 210 H HA 0.346 4.919 4.556 0.028 0.000 0.354 210 H C -2.692 172.753 175.328 0.196 0.000 1.074 210 H CA -1.982 54.157 56.048 0.152 0.000 1.226 210 H CB 2.635 32.509 29.762 0.187 0.000 1.648 210 H HN -0.255 nan 8.280 nan 0.000 0.529 211 P HA -0.077 nan 4.420 nan 0.000 0.264 211 P C -0.116 177.561 177.300 0.629 0.000 1.183 211 P CA 0.243 63.542 63.100 0.331 0.000 0.763 211 P CB 0.456 32.266 31.700 0.184 0.000 0.807 212 N N 4.559 123.527 118.700 0.447 0.000 2.458 212 N HA 0.089 4.846 4.740 0.028 0.000 0.270 212 N C -1.463 174.240 175.510 0.321 0.000 1.102 212 N CA -2.184 51.076 53.050 0.350 0.000 0.967 212 N CB 0.455 39.089 38.487 0.245 0.000 1.078 212 N HN 0.217 nan 8.380 nan 0.000 0.471 213 P HA -0.063 nan 4.420 nan 0.000 0.225 213 P C 1.386 178.624 177.300 -0.103 0.000 1.156 213 P CA 0.381 63.250 63.100 -0.386 0.000 0.787 213 P CB 0.470 31.572 31.700 -0.997 0.000 0.802 214 V N 2.273 122.145 119.914 -0.070 0.000 2.278 214 V HA -0.181 3.955 4.120 0.028 0.000 0.251 214 V C -0.214 175.816 176.094 -0.106 0.000 1.062 214 V CA 2.813 65.069 62.300 -0.074 0.000 1.038 214 V CB -2.583 29.228 31.823 -0.021 0.000 0.646 214 V HN 0.220 nan 8.190 nan 0.000 0.447 215 P HA -0.097 nan 4.420 nan 0.000 0.226 215 P C 0.910 177.926 177.300 -0.473 0.000 1.153 215 P CA 1.454 64.343 63.100 -0.351 0.000 0.777 215 P CB -0.086 31.328 31.700 -0.477 0.000 0.794 216 Y N -0.875 119.398 120.300 -0.045 0.000 2.507 216 Y HA 0.439 5.006 4.550 0.027 0.000 0.263 216 Y C 1.424 177.244 175.900 -0.133 0.000 1.093 216 Y CA -0.261 57.814 58.100 -0.041 0.000 1.285 216 Y CB -0.247 38.258 38.460 0.076 0.000 1.115 216 Y HN -0.169 nan 8.280 nan 0.000 0.533 217 A N -0.743 122.050 122.820 -0.045 0.000 2.325 217 A HA 0.428 4.765 4.320 0.028 0.000 0.333 217 A C -0.165 177.284 177.584 -0.225 0.000 1.155 217 A CA -0.465 51.505 52.037 -0.112 0.000 0.814 217 A CB 0.407 19.355 19.000 -0.088 0.000 1.206 217 A HN 0.430 nan 8.150 nan 0.000 0.482 218 H N 0.515 119.515 119.070 -0.117 0.000 2.395 218 H HA 0.155 4.727 4.556 0.027 0.000 0.299 218 H C -0.686 174.125 175.328 -0.863 0.000 1.070 218 H CA 1.910 57.703 56.048 -0.424 0.000 1.356 218 H CB 0.004 29.438 29.762 -0.547 0.000 1.401 218 H HN 0.558 nan 8.280 nan 0.000 0.524 219 F N -0.418 119.562 119.950 0.050 0.000 2.556 219 F HA 0.498 5.041 4.527 0.027 0.000 0.314 219 F C -0.828 174.926 175.800 -0.077 0.000 1.106 219 F CA -1.206 56.775 58.000 -0.033 0.000 0.911 219 F CB 1.936 40.875 39.000 -0.102 0.000 1.190 219 F HN -0.342 nan 8.300 nan 0.000 0.448 220 V N 1.647 121.591 119.914 0.049 0.000 2.483 220 V HA 0.602 4.738 4.120 0.028 0.000 0.297 220 V C -0.315 175.728 176.094 -0.085 0.000 1.027 220 V CA -0.706 61.545 62.300 -0.082 0.000 0.855 220 V CB 2.037 33.745 31.823 -0.190 0.000 0.995 220 V HN 0.903 nan 8.190 nan 0.000 0.424 221 T N 0.764 115.259 114.554 -0.098 0.000 2.940 221 T HA 0.862 5.228 4.350 0.028 0.000 0.288 221 T C -0.333 174.282 174.700 -0.141 0.000 1.033 221 T CA -0.679 61.360 62.100 -0.102 0.000 1.033 221 T CB 2.178 70.997 68.868 -0.081 0.000 1.079 221 T HN 0.766 nan 8.240 nan 0.000 0.496 222 T N 0.417 114.890 114.554 -0.135 0.000 2.775 222 T HA 0.558 4.924 4.350 0.028 0.000 0.320 222 T C -0.820 173.798 174.700 -0.138 0.000 1.597 222 T CA -0.398 61.606 62.100 -0.159 0.000 1.022 222 T CB 1.275 70.007 68.868 -0.226 0.000 1.485 222 T HN 1.194 nan 8.240 nan 0.000 0.494 223 T N 0.401 114.826 114.554 -0.214 0.000 2.909 223 T HA 0.423 4.790 4.350 0.028 0.000 0.289 223 T C 1.534 176.108 174.700 -0.209 0.000 1.005 223 T CA 0.182 62.096 62.100 -0.311 0.000 1.084 223 T CB 1.035 69.405 68.868 -0.830 0.000 0.975 223 T HN 0.785 nan 8.240 nan 0.000 0.509 224 T N -1.740 112.788 114.554 -0.045 0.000 3.067 224 T HA -0.045 4.321 4.350 0.028 0.000 0.257 224 T C 1.375 176.120 174.700 0.075 0.000 1.105 224 T CA 0.358 62.515 62.100 0.095 0.000 1.104 224 T CB -0.498 68.484 68.868 0.190 0.000 0.925 224 T HN 0.913 nan 8.240 nan 0.000 0.498 225 H N 0.001 119.075 119.070 0.007 0.000 2.524 225 H HA 0.383 4.957 4.556 0.030 0.000 0.280 225 H C 0.960 176.264 175.328 -0.040 0.000 1.018 225 H CA -0.315 55.724 56.048 -0.015 0.000 1.165 225 H CB 0.093 29.833 29.762 -0.036 0.000 1.411 225 H HN 0.443 nan 8.280 nan 0.000 0.569 226 Q N 0.939 120.659 119.800 -0.132 0.000 2.968 226 Q HA 0.056 4.413 4.340 0.028 0.000 0.245 226 Q C 1.968 177.942 176.000 -0.043 0.000 1.136 226 Q CA 0.734 56.457 55.803 -0.133 0.000 0.410 226 Q CB 0.128 28.662 28.738 -0.340 0.000 5.262 226 Q HN 0.404 nan 8.270 nan 0.000 0.356 227 T N 0.075 114.581 114.554 -0.079 0.000 2.962 227 T HA -0.075 4.291 4.350 0.028 0.000 0.270 227 T C 1.746 176.606 174.700 0.267 0.000 1.088 227 T CA 0.630 62.754 62.100 0.040 0.000 1.127 227 T CB -0.087 68.719 68.868 -0.103 0.000 0.883 227 T HN 0.068 nan 8.240 nan 0.000 0.493 228 L N 1.250 122.595 121.223 0.202 0.000 2.376 228 L HA 0.324 4.681 4.340 0.028 0.000 0.219 228 L C 1.559 178.580 176.870 0.253 0.000 1.133 228 L CA 0.974 55.977 54.840 0.272 0.000 0.816 228 L CB -1.071 41.101 42.059 0.188 0.000 0.933 228 L HN 0.424 nan 8.230 nan 0.000 0.449 229 R N -1.002 119.625 120.500 0.211 0.000 3.525 229 R HA -0.153 4.203 4.340 0.028 0.000 0.276 229 R C 0.423 176.784 176.300 0.101 0.000 1.116 229 R CA 0.413 56.611 56.100 0.162 0.000 0.745 229 R CB -1.776 28.656 30.300 0.220 0.000 1.185 229 R HN 0.563 nan 8.270 nan 0.000 0.454 230 G N 0.287 109.146 108.800 0.099 0.000 2.642 230 G HA2 0.667 4.644 3.960 0.028 0.000 0.291 230 G HA3 0.667 4.644 3.960 0.028 0.000 0.291 230 G C -2.524 172.409 174.900 0.055 0.000 1.345 230 G CA -0.992 44.138 45.100 0.050 0.000 1.043 230 G HN 0.151 nan 8.290 nan 0.000 0.528 231 P HA 0.142 nan 4.420 nan 0.000 0.272 231 P C -0.522 176.802 177.300 0.041 0.000 1.240 231 P CA -0.457 62.639 63.100 -0.008 0.000 0.791 231 P CB 0.982 32.643 31.700 -0.064 0.000 0.978 232 R N 0.505 120.977 120.500 -0.045 0.000 2.370 232 R HA 0.498 4.855 4.340 0.028 0.000 0.309 232 R C 0.238 176.540 176.300 0.002 0.000 1.059 232 R CA 0.474 56.480 56.100 -0.157 0.000 0.981 232 R CB -0.591 29.478 30.300 -0.385 0.000 0.972 232 R HN 0.845 nan 8.270 nan 0.000 0.437 233 G N 1.456 110.392 108.800 0.228 0.000 2.315 233 G HA2 0.387 4.364 3.960 0.028 0.000 0.294 233 G HA3 0.387 4.364 3.960 0.028 0.000 0.294 233 G C -1.288 173.716 174.900 0.174 0.000 1.300 233 G CA -0.425 44.764 45.100 0.148 0.000 0.843 233 G HN 0.798 nan 8.290 nan 0.000 0.527 234 G N -1.462 107.399 108.800 0.102 0.000 3.013 234 G HA2 0.859 4.836 3.960 0.028 0.000 0.278 234 G HA3 0.859 4.836 3.960 0.028 0.000 0.278 234 G C -0.792 174.143 174.900 0.058 0.000 1.353 234 G CA -0.303 44.832 45.100 0.057 0.000 1.043 234 G HN 1.300 nan 8.290 nan 0.000 0.523 235 M N -0.445 119.168 119.600 0.022 0.000 2.490 235 M HA 0.587 5.084 4.480 0.028 0.000 0.286 235 M C -2.186 174.097 176.300 -0.029 0.000 1.185 235 M CA -0.593 54.720 55.300 0.022 0.000 0.912 235 M CB 2.098 34.730 32.600 0.052 0.000 1.744 235 M HN 0.405 nan 8.290 nan 0.000 0.494 236 I N 4.423 124.985 120.570 -0.013 0.000 2.509 236 I HA 0.517 4.704 4.170 0.028 0.000 0.293 236 I C -1.256 174.853 176.117 -0.014 0.000 1.020 236 I CA -0.731 60.566 61.300 -0.006 0.000 1.088 236 I CB 2.056 40.086 38.000 0.050 0.000 1.267 236 I HN 0.592 nan 8.210 nan 0.000 0.430 237 L N 5.964 127.172 121.223 -0.025 0.000 2.346 237 L HA 0.808 5.165 4.340 0.028 0.000 0.274 237 L C -0.546 176.364 176.870 0.066 0.000 1.007 237 L CA -0.626 54.201 54.840 -0.022 0.000 0.818 237 L CB 1.880 43.874 42.059 -0.108 0.000 1.284 237 L HN 0.812 nan 8.230 nan 0.000 0.424 238 C N -0.272 119.098 119.300 0.118 0.000 3.306 238 C HA 0.395 4.872 4.460 0.028 0.000 0.335 238 C C -0.606 174.463 174.990 0.132 0.000 1.382 238 C CA -0.984 58.115 59.018 0.134 0.000 1.254 238 C CB 1.857 29.760 27.740 0.272 0.000 1.555 238 C HN 0.863 nan 8.230 nan 0.000 0.463 239 Q N 0.564 120.441 119.800 0.128 0.000 2.417 239 Q HA 0.109 4.466 4.340 0.028 0.000 0.241 239 Q C 0.980 176.987 176.000 0.011 0.000 1.008 239 Q CA 0.300 56.134 55.803 0.051 0.000 0.901 239 Q CB 1.052 29.790 28.738 0.001 0.000 1.259 239 Q HN 0.861 nan 8.270 nan 0.000 0.489 240 E N 1.276 121.449 120.200 -0.044 0.000 2.097 240 E HA -0.268 4.098 4.350 0.028 0.000 0.196 240 E C 1.725 178.221 176.600 -0.175 0.000 1.000 240 E CA 1.969 58.318 56.400 -0.085 0.000 0.804 240 E CB 0.120 29.777 29.700 -0.071 0.000 0.740 240 E HN 0.531 nan 8.360 nan 0.000 0.454 241 Q N -0.784 118.842 119.800 -0.290 0.000 2.234 241 Q HA -0.179 4.177 4.340 0.028 0.000 0.206 241 Q C 1.361 177.056 176.000 -0.508 0.000 0.980 241 Q CA 1.318 56.848 55.803 -0.455 0.000 0.869 241 Q CB -0.480 27.852 28.738 -0.677 0.000 0.912 241 Q HN 0.427 nan 8.270 nan 0.000 0.436 242 F N 0.124 120.070 119.950 -0.007 0.000 2.678 242 F HA 0.458 5.001 4.527 0.027 0.000 0.305 242 F C 2.141 177.941 175.800 0.001 0.000 1.090 242 F CA -0.252 57.781 58.000 0.055 0.000 1.272 242 F CB -0.273 38.834 39.000 0.177 0.000 1.060 242 F HN 0.033 nan 8.300 nan 0.000 0.576 243 A N 0.968 123.766 122.820 -0.038 0.000 1.884 243 A HA -0.315 4.022 4.320 0.028 0.000 0.219 243 A C 2.353 179.761 177.584 -0.293 0.000 1.197 243 A CA 2.390 54.197 52.037 -0.384 0.000 0.637 243 A CB -0.691 17.870 19.000 -0.731 0.000 0.827 243 A HN 0.364 nan 8.150 nan 0.000 0.450 244 K N -0.717 119.583 120.400 -0.167 0.000 2.057 244 K HA -0.182 4.155 4.320 0.028 0.000 0.206 244 K C 2.243 178.845 176.600 0.003 0.000 1.050 244 K CA 1.590 57.822 56.287 -0.091 0.000 0.935 244 K CB -0.198 32.270 32.500 -0.053 0.000 0.715 244 K HN 0.654 nan 8.250 nan 0.000 0.439 245 Q N 0.219 120.057 119.800 0.062 0.000 2.119 245 Q HA -0.110 4.247 4.340 0.028 0.000 0.201 245 Q C 2.039 178.110 176.000 0.119 0.000 0.972 245 Q CA 1.116 56.981 55.803 0.103 0.000 0.847 245 Q CB 0.028 28.852 28.738 0.143 0.000 0.903 245 Q HN 0.292 nan 8.270 nan 0.000 0.433 246 I N 1.234 121.892 120.570 0.147 0.000 2.252 246 I HA -0.221 3.966 4.170 0.028 0.000 0.245 246 I C 1.472 177.682 176.117 0.156 0.000 1.102 246 I CA 1.337 62.733 61.300 0.160 0.000 1.385 246 I CB -0.886 37.260 38.000 0.242 0.000 1.064 246 I HN 0.206 nan 8.210 nan 0.000 0.414 247 D N 1.010 121.467 120.400 0.095 0.000 2.117 247 D HA -0.172 4.485 4.640 0.028 0.000 0.197 247 D C 2.203 178.653 176.300 0.251 0.000 0.987 247 D CA 1.215 55.236 54.000 0.035 0.000 0.829 247 D CB -0.063 40.502 40.800 -0.393 0.000 0.961 247 D HN 0.322 nan 8.370 nan 0.000 0.460 248 K N 0.330 120.840 120.400 0.184 0.000 2.217 248 K HA 0.075 4.411 4.320 0.028 0.000 0.202 248 K C 2.059 178.780 176.600 0.202 0.000 1.051 248 K CA 0.763 57.169 56.287 0.199 0.000 0.952 248 K CB 0.076 32.658 32.500 0.136 0.000 0.736 248 K HN 0.008 nan 8.250 nan 0.000 0.453 249 A N 1.700 124.651 122.820 0.218 0.000 1.902 249 A HA -0.155 4.182 4.320 0.028 0.000 0.217 249 A C 2.053 179.719 177.584 0.137 0.000 1.181 249 A CA 1.171 53.380 52.037 0.286 0.000 0.623 249 A CB -0.380 18.779 19.000 0.266 0.000 0.818 249 A HN 0.080 nan 8.150 nan 0.000 0.443 250 I N -2.685 117.984 120.570 0.165 0.000 2.202 250 I HA -0.027 4.159 4.170 0.028 0.000 0.242 250 I C 0.538 176.775 176.117 0.200 0.000 1.091 250 I CA 1.414 62.803 61.300 0.147 0.000 1.368 250 I CB -0.568 37.563 38.000 0.219 0.000 1.058 250 I HN 0.357 nan 8.210 nan 0.000 0.410 251 F N 2.898 122.946 119.950 0.164 0.000 2.941 251 F HA 0.394 4.939 4.527 0.030 0.000 0.359 251 F C -2.447 173.459 175.800 0.176 0.000 1.231 251 F CA -1.489 56.582 58.000 0.119 0.000 1.089 251 F CB 1.752 40.783 39.000 0.052 0.000 1.407 251 F HN -0.209 nan 8.300 nan 0.000 0.538 252 P HA 0.246 nan 4.420 nan 0.000 0.290 252 P C 0.994 178.024 177.300 -0.449 0.000 1.447 252 P CA 0.289 62.694 63.100 -1.159 0.000 1.127 252 P CB 1.064 32.163 31.700 -1.002 0.000 1.555 253 G N 2.511 111.196 108.800 -0.193 0.000 2.575 253 G HA2 -0.187 3.790 3.960 0.028 0.000 0.215 253 G HA3 -0.187 3.790 3.960 0.028 0.000 0.215 253 G C 1.283 175.924 174.900 -0.431 0.000 1.262 253 G CA 1.248 46.248 45.100 -0.168 0.000 0.807 253 G HN 0.398 nan 8.290 nan 0.000 0.567 254 I N -3.306 117.046 120.570 -0.363 0.000 4.323 254 I HA 0.430 4.616 4.170 0.028 0.000 0.328 254 I C 0.792 176.816 176.117 -0.153 0.000 1.310 254 I CA -0.183 60.902 61.300 -0.359 0.000 1.186 254 I CB 0.484 38.228 38.000 -0.426 0.000 1.130 254 I HN 0.090 nan 8.210 nan 0.000 0.411 255 Q N 0.944 120.717 119.800 -0.046 0.000 2.712 255 Q HA 0.687 5.043 4.340 0.028 0.000 0.267 255 Q C 0.020 176.170 176.000 0.249 0.000 1.062 255 Q CA -0.426 55.407 55.803 0.050 0.000 0.888 255 Q CB 2.055 30.718 28.738 -0.125 0.000 1.374 255 Q HN 0.275 nan 8.270 nan 0.000 0.498 256 G N -0.608 108.374 108.800 0.303 0.000 3.267 256 G HA2 0.469 4.446 3.960 0.028 0.000 0.200 256 G HA3 0.469 4.446 3.960 0.028 0.000 0.200 256 G C -0.414 174.607 174.900 0.201 0.000 1.603 256 G CA -0.125 45.221 45.100 0.410 0.000 0.753 256 G HN 0.572 nan 8.290 nan 0.000 0.755 257 G N 1.777 110.719 108.800 0.237 0.000 2.406 257 G HA2 0.512 4.489 3.960 0.028 0.000 0.251 257 G HA3 0.512 4.489 3.960 0.028 0.000 0.251 257 G C -2.170 172.740 174.900 0.016 0.000 1.271 257 G CA -0.419 44.726 45.100 0.076 0.000 0.859 257 G HN 0.370 nan 8.290 nan 0.000 0.540 258 P HA 0.187 nan 4.420 nan 0.000 0.276 258 P C -0.141 177.157 177.300 -0.003 0.000 1.244 258 P CA -0.473 62.622 63.100 -0.008 0.000 0.801 258 P CB 1.270 32.911 31.700 -0.097 0.000 1.006 259 L N 2.661 123.901 121.223 0.029 0.000 2.356 259 L HA 0.139 4.496 4.340 0.028 0.000 0.282 259 L C 1.823 178.617 176.870 -0.126 0.000 1.132 259 L CA -0.500 54.288 54.840 -0.087 0.000 0.923 259 L CB -0.112 41.784 42.059 -0.271 0.000 1.278 259 L HN 0.233 nan 8.230 nan 0.000 0.436 260 M N 0.944 120.561 119.600 0.027 0.000 2.213 260 M HA -0.152 4.345 4.480 0.028 0.000 0.263 260 M C 2.191 178.511 176.300 0.035 0.000 1.062 260 M CA 1.755 57.065 55.300 0.017 0.000 1.105 260 M CB -1.177 31.430 32.600 0.013 0.000 1.385 260 M HN 0.685 nan 8.290 nan 0.000 0.417 261 H N -1.388 117.639 119.070 -0.072 0.000 2.353 261 H HA -0.026 4.534 4.556 0.007 0.000 0.300 261 H C 1.971 177.260 175.328 -0.064 0.000 1.090 261 H CA 1.281 57.290 56.048 -0.065 0.000 1.327 261 H CB -0.896 28.826 29.762 -0.067 0.000 1.383 261 H HN 0.146 nan 8.280 nan 0.000 0.508 262 V N 1.175 120.793 119.914 -0.493 0.000 2.427 262 V HA -0.186 3.951 4.120 0.028 0.000 0.248 262 V C 2.532 178.505 176.094 -0.202 0.000 1.051 262 V CA 1.649 63.747 62.300 -0.335 0.000 1.048 262 V CB -0.488 31.113 31.823 -0.371 0.000 0.666 262 V HN 0.396 nan 8.190 nan 0.000 0.456 263 I N 0.626 121.097 120.570 -0.165 0.000 2.286 263 I HA -0.231 3.956 4.170 0.028 0.000 0.248 263 I C 2.629 178.667 176.117 -0.133 0.000 1.115 263 I CA 1.398 62.626 61.300 -0.120 0.000 1.392 263 I CB -0.476 37.486 38.000 -0.065 0.000 1.065 263 I HN 0.285 nan 8.210 nan 0.000 0.418 264 A N 0.602 123.363 122.820 -0.098 0.000 1.933 264 A HA -0.146 4.190 4.320 0.028 0.000 0.218 264 A C 2.522 180.028 177.584 -0.130 0.000 1.175 264 A CA 1.763 53.749 52.037 -0.086 0.000 0.628 264 A CB -0.742 18.236 19.000 -0.036 0.000 0.814 264 A HN 0.424 nan 8.150 nan 0.000 0.444 265 A N -0.237 122.500 122.820 -0.138 0.000 1.930 265 A HA -0.113 4.224 4.320 0.028 0.000 0.217 265 A C 2.077 179.504 177.584 -0.263 0.000 1.175 265 A CA 1.689 53.635 52.037 -0.152 0.000 0.627 265 A CB -0.377 18.555 19.000 -0.114 0.000 0.815 265 A HN 0.544 nan 8.150 nan 0.000 0.443 266 K N -0.152 120.031 120.400 -0.362 0.000 2.009 266 K HA -0.129 4.207 4.320 0.028 0.000 0.210 266 K C 2.340 178.264 176.600 -1.127 0.000 1.049 266 K CA 1.307 57.147 56.287 -0.745 0.000 0.929 266 K CB -0.392 31.723 32.500 -0.641 0.000 0.714 266 K HN 0.429 nan 8.250 nan 0.000 0.440 267 A N 1.051 123.504 122.820 -0.612 0.000 1.908 267 A HA -0.158 4.179 4.320 0.028 0.000 0.218 267 A C 2.399 179.839 177.584 -0.239 0.000 1.181 267 A CA 1.704 53.530 52.037 -0.350 0.000 0.627 267 A CB -0.787 18.134 19.000 -0.132 0.000 0.818 267 A HN 0.098 nan 8.150 nan 0.000 0.445 268 V N -0.274 119.515 119.914 -0.208 0.000 2.343 268 V HA -0.250 3.886 4.120 0.028 0.000 0.247 268 V C 3.034 179.055 176.094 -0.122 0.000 1.051 268 V CA 1.995 64.221 62.300 -0.124 0.000 1.036 268 V CB -1.223 30.543 31.823 -0.094 0.000 0.654 268 V HN 0.627 nan 8.190 nan 0.000 0.451 269 A N -0.654 122.052 122.820 -0.190 0.000 1.969 269 A HA -0.123 4.214 4.320 0.028 0.000 0.218 269 A C 2.112 179.685 177.584 -0.018 0.000 1.169 269 A CA 1.517 53.485 52.037 -0.115 0.000 0.635 269 A CB -0.670 18.263 19.000 -0.113 0.000 0.810 269 A HN 0.556 nan 8.150 nan 0.000 0.445 270 F N -0.081 119.804 119.950 -0.109 0.000 2.186 270 F HA -0.062 4.488 4.527 0.039 0.000 0.299 270 F C 2.676 178.385 175.800 -0.152 0.000 1.090 270 F CA 0.211 58.130 58.000 -0.136 0.000 1.307 270 F CB -0.441 38.514 39.000 -0.076 0.000 1.019 270 F HN 0.366 nan 8.300 nan 0.000 0.489 271 G N 0.344 109.175 108.800 0.052 0.000 2.418 271 G HA2 -0.222 3.754 3.960 0.028 0.000 0.217 271 G HA3 -0.222 3.754 3.960 0.028 0.000 0.217 271 G C 1.378 176.259 174.900 -0.032 0.000 1.158 271 G CA 0.746 45.848 45.100 0.003 0.000 0.771 271 G HN 0.324 nan 8.290 nan 0.000 0.545 272 E N 0.503 120.670 120.200 -0.054 0.000 2.077 272 E HA -0.035 4.331 4.350 0.028 0.000 0.193 272 E C 2.878 179.390 176.600 -0.147 0.000 0.989 272 E CA 0.793 57.160 56.400 -0.056 0.000 0.800 272 E CB -0.189 29.486 29.700 -0.042 0.000 0.746 272 E HN 0.408 nan 8.360 nan 0.000 0.452 273 A N 0.861 123.439 122.820 -0.403 0.000 2.067 273 A HA -0.108 4.228 4.320 0.028 0.000 0.219 273 A C 2.067 179.482 177.584 -0.281 0.000 1.158 273 A CA 0.831 52.375 52.037 -0.822 0.000 0.661 273 A CB -0.413 18.022 19.000 -0.943 0.000 0.801 273 A HN 0.144 nan 8.150 nan 0.000 0.452 274 L N -0.705 120.430 121.223 -0.147 0.000 2.395 274 L HA -0.063 4.293 4.340 0.028 0.000 0.218 274 L C 0.984 177.854 176.870 -0.001 0.000 1.130 274 L CA 0.215 55.011 54.840 -0.073 0.000 0.826 274 L CB -0.265 41.760 42.059 -0.057 0.000 0.941 274 L HN 0.484 nan 8.230 nan 0.000 0.451 275 Q N -0.339 119.482 119.800 0.034 0.000 2.312 275 Q HA 0.004 4.360 4.340 0.028 0.000 0.236 275 Q C 0.444 176.517 176.000 0.120 0.000 0.965 275 Q CA -0.573 55.272 55.803 0.070 0.000 0.894 275 Q CB 0.953 29.734 28.738 0.071 0.000 1.225 275 Q HN -0.006 nan 8.270 nan 0.000 0.478 276 D N 1.218 121.674 120.400 0.093 0.000 2.144 276 D HA -0.174 4.482 4.640 0.028 0.000 0.199 276 D C 1.234 177.605 176.300 0.118 0.000 0.984 276 D CA 1.427 55.484 54.000 0.095 0.000 0.834 276 D CB -0.091 40.747 40.800 0.064 0.000 0.955 276 D HN 0.644 nan 8.370 nan 0.000 0.465 277 D N -0.136 120.339 120.400 0.124 0.000 2.219 277 D HA -0.179 4.478 4.640 0.028 0.000 0.205 277 D C 1.941 178.352 176.300 0.184 0.000 0.970 277 D CA 0.283 54.359 54.000 0.127 0.000 0.851 277 D CB -0.973 39.889 40.800 0.102 0.000 0.943 277 D HN 0.260 nan 8.370 nan 0.000 0.488 278 F N 1.636 121.643 119.950 0.095 0.000 2.186 278 F HA -0.005 4.538 4.527 0.027 0.000 0.299 278 F C 2.042 177.946 175.800 0.173 0.000 1.090 278 F CA 1.135 59.226 58.000 0.153 0.000 1.307 278 F CB 0.081 39.144 39.000 0.105 0.000 1.019 278 F HN -0.201 nan 8.300 nan 0.000 0.489 279 K N 0.292 120.826 120.400 0.223 0.000 2.057 279 K HA -0.142 4.195 4.320 0.028 0.000 0.207 279 K C 2.273 178.875 176.600 0.004 0.000 1.049 279 K CA 1.259 57.607 56.287 0.101 0.000 0.931 279 K CB -0.658 31.908 32.500 0.111 0.000 0.714 279 K HN 0.354 nan 8.250 nan 0.000 0.440 280 A N 1.126 123.966 122.820 0.033 0.000 1.930 280 A HA -0.190 4.146 4.320 0.028 0.000 0.217 280 A C 2.104 179.682 177.584 -0.010 0.000 1.175 280 A CA 1.167 53.215 52.037 0.018 0.000 0.627 280 A CB -0.689 18.340 19.000 0.048 0.000 0.815 280 A HN 0.431 nan 8.150 nan 0.000 0.443 281 Y N 0.846 121.060 120.300 -0.143 0.000 2.114 281 Y HA -0.113 4.456 4.550 0.033 0.000 0.284 281 Y C 2.577 178.328 175.900 -0.250 0.000 1.143 281 Y CA 1.402 59.382 58.100 -0.201 0.000 1.135 281 Y CB -0.799 37.484 38.460 -0.295 0.000 0.980 281 Y HN 0.279 nan 8.280 nan 0.000 0.499 282 A N 0.580 123.012 122.820 -0.647 0.000 1.908 282 A HA -0.258 4.079 4.320 0.028 0.000 0.218 282 A C 2.330 179.709 177.584 -0.341 0.000 1.181 282 A CA 2.113 53.781 52.037 -0.615 0.000 0.627 282 A CB -0.898 17.888 19.000 -0.356 0.000 0.818 282 A HN 0.583 nan 8.150 nan 0.000 0.445 283 K N -0.384 119.895 120.400 -0.202 0.000 2.032 283 K HA -0.164 4.173 4.320 0.028 0.000 0.209 283 K C 2.259 178.788 176.600 -0.118 0.000 1.048 283 K CA 1.580 57.801 56.287 -0.109 0.000 0.927 283 K CB -0.197 32.271 32.500 -0.054 0.000 0.712 283 K HN 0.448 nan 8.250 nan 0.000 0.441 284 R N 0.097 120.512 120.500 -0.143 0.000 2.105 284 R HA -0.110 4.247 4.340 0.028 0.000 0.239 284 R C 2.260 178.477 176.300 -0.138 0.000 1.135 284 R CA 1.403 57.441 56.100 -0.103 0.000 0.967 284 R CB -0.391 29.878 30.300 -0.051 0.000 0.861 284 R HN 0.084 nan 8.270 nan 0.000 0.442 285 V N 0.473 120.219 119.914 -0.280 0.000 2.255 285 V HA -0.236 3.901 4.120 0.028 0.000 0.247 285 V C 2.345 178.387 176.094 -0.087 0.000 1.051 285 V CA 1.766 63.929 62.300 -0.228 0.000 1.018 285 V CB -0.359 31.230 31.823 -0.389 0.000 0.641 285 V HN 0.127 nan 8.190 nan 0.000 0.445 286 V N 0.000 119.868 119.914 -0.077 0.000 2.358 286 V HA -0.227 3.910 4.120 0.028 0.000 0.246 286 V C 2.269 178.354 176.094 -0.016 0.000 1.047 286 V CA 2.106 64.395 62.300 -0.018 0.000 1.035 286 V CB -0.673 31.147 31.823 -0.005 0.000 0.658 286 V HN 0.550 nan 8.190 nan 0.000 0.452 287 D N 0.174 120.558 120.400 -0.027 0.000 2.117 287 D HA -0.132 4.524 4.640 0.028 0.000 0.197 287 D C 2.082 178.381 176.300 -0.002 0.000 0.987 287 D CA 1.095 55.087 54.000 -0.012 0.000 0.829 287 D CB -0.380 40.412 40.800 -0.013 0.000 0.961 287 D HN 0.339 nan 8.370 nan 0.000 0.460 288 N N 0.562 119.260 118.700 -0.002 0.000 2.120 288 N HA -0.094 4.663 4.740 0.028 0.000 0.188 288 N C 1.694 177.214 175.510 0.017 0.000 1.024 288 N CA 1.245 54.306 53.050 0.019 0.000 0.852 288 N CB -0.361 38.147 38.487 0.035 0.000 1.003 288 N HN 0.125 nan 8.380 nan 0.000 0.424 289 A N 0.901 123.725 122.820 0.006 0.000 1.902 289 A HA -0.116 4.221 4.320 0.028 0.000 0.217 289 A C 2.227 179.808 177.584 -0.005 0.000 1.181 289 A CA 1.482 53.517 52.037 -0.002 0.000 0.623 289 A CB -0.349 18.646 19.000 -0.007 0.000 0.818 289 A HN 0.147 nan 8.150 nan 0.000 0.443 290 K N -0.629 119.770 120.400 -0.002 0.000 2.026 290 K HA -0.113 4.224 4.320 0.028 0.000 0.208 290 K C 2.261 178.864 176.600 0.005 0.000 1.048 290 K CA 1.591 57.877 56.287 -0.001 0.000 0.929 290 K CB -0.184 32.316 32.500 -0.001 0.000 0.713 290 K HN 0.358 nan 8.250 nan 0.000 0.439 291 R N 0.670 121.176 120.500 0.010 0.000 2.080 291 R HA -0.098 4.258 4.340 0.028 0.000 0.236 291 R C 2.003 178.315 176.300 0.020 0.000 1.137 291 R CA 1.363 57.473 56.100 0.015 0.000 0.943 291 R CB -0.941 29.370 30.300 0.019 0.000 0.846 291 R HN 0.171 nan 8.270 nan 0.000 0.431 292 L N 0.348 121.583 121.223 0.020 0.000 2.012 292 L HA -0.079 4.278 4.340 0.028 0.000 0.210 292 L C 2.142 179.019 176.870 0.013 0.000 1.073 292 L CA 2.340 57.191 54.840 0.019 0.000 0.748 292 L CB -1.112 40.956 42.059 0.015 0.000 0.891 292 L HN 0.321 nan 8.230 nan 0.000 0.431 293 A N -1.735 121.088 122.820 0.005 0.000 1.865 293 A HA -0.263 4.074 4.320 0.028 0.000 0.217 293 A C 2.538 180.138 177.584 0.027 0.000 1.191 293 A CA 2.182 54.223 52.037 0.007 0.000 0.623 293 A CB -1.302 17.696 19.000 -0.004 0.000 0.826 293 A HN 0.529 nan 8.150 nan 0.000 0.444 294 S N -0.547 115.167 115.700 0.023 0.000 2.370 294 S HA -0.067 4.420 4.470 0.028 0.000 0.226 294 S C 2.163 176.788 174.600 0.042 0.000 1.033 294 S CA 1.668 59.886 58.200 0.029 0.000 1.011 294 S CB -0.498 62.714 63.200 0.019 0.000 0.852 294 S HN 0.845 nan 8.310 nan 0.000 0.457 295 A N 1.020 123.866 122.820 0.043 0.000 1.930 295 A HA 0.086 4.423 4.320 0.028 0.000 0.217 295 A C 2.188 179.830 177.584 0.095 0.000 1.175 295 A CA 1.275 53.345 52.037 0.056 0.000 0.627 295 A CB -0.669 18.358 19.000 0.045 0.000 0.815 295 A HN 0.572 nan 8.150 nan 0.000 0.443 296 L N -0.954 120.333 121.223 0.107 0.000 2.093 296 L HA -0.221 4.135 4.340 0.028 0.000 0.208 296 L C 2.843 179.878 176.870 0.275 0.000 1.085 296 L CA 1.413 56.380 54.840 0.212 0.000 0.755 296 L CB -0.494 41.618 42.059 0.088 0.000 0.904 296 L HN 0.460 nan 8.230 nan 0.000 0.435 297 Q N -0.470 119.421 119.800 0.152 0.000 2.124 297 Q HA -0.217 4.140 4.340 0.028 0.000 0.202 297 Q C 1.988 178.029 176.000 0.069 0.000 0.977 297 Q CA 1.383 57.254 55.803 0.112 0.000 0.850 297 Q CB -0.319 28.460 28.738 0.070 0.000 0.901 297 Q HN 0.501 nan 8.270 nan 0.000 0.429 298 N N 0.582 119.319 118.700 0.062 0.000 2.205 298 N HA -0.191 4.566 4.740 0.028 0.000 0.186 298 N C 1.165 176.687 175.510 0.020 0.000 1.015 298 N CA 0.858 53.929 53.050 0.035 0.000 0.862 298 N CB 0.224 38.733 38.487 0.036 0.000 0.986 298 N HN 0.211 nan 8.380 nan 0.000 0.429 299 E N -0.347 119.884 120.200 0.051 0.000 2.482 299 E HA -0.009 4.357 4.350 0.028 0.000 0.196 299 E C 1.151 177.623 176.600 -0.214 0.000 1.047 299 E CA 0.710 57.100 56.400 -0.017 0.000 0.869 299 E CB -0.041 29.745 29.700 0.142 0.000 0.836 299 E HN 0.609 nan 8.360 nan 0.000 0.520 300 G N 0.649 109.348 108.800 -0.169 0.000 2.163 300 G HA2 -0.227 3.750 3.960 0.028 0.000 0.213 300 G HA3 -0.227 3.750 3.960 0.028 0.000 0.213 300 G C -0.040 174.697 174.900 -0.273 0.000 0.991 300 G CA -0.337 44.622 45.100 -0.235 0.000 0.653 300 G HN 0.132 nan 8.290 nan 0.000 0.518 301 F N 1.787 121.741 119.950 0.006 0.000 2.389 301 F HA 0.586 5.130 4.527 0.029 0.000 0.337 301 F C 1.159 176.965 175.800 0.009 0.000 1.112 301 F CA 0.018 58.022 58.000 0.007 0.000 1.192 301 F CB 1.348 40.352 39.000 0.006 0.000 1.185 301 F HN -0.086 nan 8.300 nan 0.000 0.552 302 T N 4.605 119.287 114.554 0.213 0.000 2.806 302 T HA 0.520 4.887 4.350 0.028 0.000 0.290 302 T C -0.180 174.595 174.700 0.125 0.000 0.966 302 T CA -0.499 61.681 62.100 0.133 0.000 1.060 302 T CB 0.385 69.314 68.868 0.102 0.000 0.927 302 T HN 0.270 nan 8.240 nan 0.000 0.485 303 L N 3.134 124.414 121.223 0.094 0.000 2.317 303 L HA 0.488 4.844 4.340 0.028 0.000 0.281 303 L C 0.100 177.016 176.870 0.077 0.000 1.024 303 L CA -1.268 53.608 54.840 0.059 0.000 0.810 303 L CB 1.687 43.769 42.059 0.039 0.000 1.240 303 L HN 0.329 nan 8.230 nan 0.000 0.427 304 V N 2.961 122.896 119.914 0.034 0.000 2.599 304 V HA -0.048 4.089 4.120 0.028 0.000 0.300 304 V C 1.098 177.279 176.094 0.145 0.000 1.034 304 V CA 1.313 63.642 62.300 0.049 0.000 1.115 304 V CB 0.964 32.691 31.823 -0.160 0.000 0.934 304 V HN 1.179 nan 8.190 nan 0.000 0.485 305 S N 2.492 118.421 115.700 0.382 0.000 2.929 305 S HA -0.203 4.284 4.470 0.028 0.000 0.271 305 S C 1.323 175.966 174.600 0.072 0.000 1.295 305 S CA 1.122 59.431 58.200 0.183 0.000 1.277 305 S CB -1.926 61.314 63.200 0.066 0.000 1.557 305 S HN 2.804 nan 8.310 nan 0.000 0.666 306 G N -0.244 108.602 108.800 0.077 0.000 2.143 306 G HA2 0.353 4.330 3.960 0.028 0.000 0.249 306 G HA3 0.353 4.330 3.960 0.028 0.000 0.249 306 G C 0.939 175.850 174.900 0.018 0.000 0.981 306 G CA 0.566 45.689 45.100 0.038 0.000 0.665 306 G HN 2.649 nan 8.290 nan 0.000 0.528 307 G N -2.595 106.208 108.800 0.005 0.000 2.403 307 G HA2 0.657 4.634 3.960 0.028 0.000 0.223 307 G HA3 0.657 4.634 3.960 0.028 0.000 0.223 307 G C -0.528 174.348 174.900 -0.040 0.000 1.287 307 G CA 0.963 46.056 45.100 -0.012 0.000 0.982 307 G HN 1.938 nan 8.290 nan 0.000 0.471 308 T N -1.037 113.490 114.554 -0.043 0.000 2.885 308 T HA 0.562 4.929 4.350 0.028 0.000 0.322 308 T C -1.257 173.417 174.700 -0.043 0.000 1.387 308 T CA 0.180 62.242 62.100 -0.064 0.000 1.041 308 T CB 1.843 70.670 68.868 -0.068 0.000 1.287 308 T HN 0.334 nan 8.240 nan 0.000 0.491 309 D N 1.776 122.150 120.400 -0.044 0.000 2.433 309 D HA 0.198 4.854 4.640 0.028 0.000 0.211 309 D C 0.652 176.979 176.300 0.044 0.000 1.114 309 D CA 0.188 54.181 54.000 -0.012 0.000 0.837 309 D CB 0.554 41.339 40.800 -0.026 0.000 0.984 309 D HN 0.651 nan 8.370 nan 0.000 0.505 310 N N -0.596 118.138 118.700 0.057 0.000 3.539 310 N HA -0.026 4.731 4.740 0.028 0.000 0.329 310 N C 0.895 176.489 175.510 0.140 0.000 1.510 310 N CA -0.291 52.857 53.050 0.163 0.000 0.654 310 N CB -0.249 38.424 38.487 0.310 0.000 2.690 310 N HN -0.144 nan 8.380 nan 0.000 0.567 311 H N -0.894 118.198 119.070 0.036 0.000 2.539 311 H HA 0.364 4.937 4.556 0.028 0.000 0.269 311 H C 0.030 175.370 175.328 0.019 0.000 0.980 311 H CA -0.259 55.799 56.048 0.016 0.000 1.152 311 H CB -0.360 29.422 29.762 0.033 0.000 1.407 311 H HN 0.501 nan 8.280 nan 0.000 0.564 312 L N 0.501 121.410 121.223 -0.524 0.000 2.333 312 L HA 0.662 5.019 4.340 0.028 0.000 0.263 312 L C -1.307 175.421 176.870 -0.237 0.000 1.014 312 L CA -1.564 53.002 54.840 -0.457 0.000 0.820 312 L CB 2.308 43.944 42.059 -0.705 0.000 1.352 312 L HN 0.049 nan 8.230 nan 0.000 0.421 313 L N 0.715 121.833 121.223 -0.173 0.000 2.424 313 L HA 0.752 5.108 4.340 0.028 0.000 0.258 313 L C -1.710 175.094 176.870 -0.110 0.000 0.995 313 L CA -0.806 53.962 54.840 -0.122 0.000 0.821 313 L CB 2.026 44.032 42.059 -0.089 0.000 1.383 313 L HN 0.715 nan 8.230 nan 0.000 0.410 314 L N 2.440 123.607 121.223 -0.092 0.000 2.343 314 L HA 0.620 4.977 4.340 0.028 0.000 0.278 314 L C -1.004 175.826 176.870 -0.068 0.000 0.996 314 L CA -0.864 53.925 54.840 -0.084 0.000 0.831 314 L CB 2.077 44.084 42.059 -0.086 0.000 1.232 314 L HN 0.576 nan 8.230 nan 0.000 0.413 315 V N 2.624 122.492 119.914 -0.076 0.000 2.432 315 V HA 0.111 4.247 4.120 0.028 0.000 0.271 315 V C 0.034 176.118 176.094 -0.018 0.000 1.046 315 V CA -0.522 61.745 62.300 -0.056 0.000 0.945 315 V CB 1.412 33.148 31.823 -0.145 0.000 0.992 315 V HN 0.598 nan 8.190 nan 0.000 0.471 316 D N 4.772 125.185 120.400 0.023 0.000 2.352 316 D HA 0.184 4.841 4.640 0.028 0.000 0.245 316 D C 0.657 177.004 176.300 0.078 0.000 1.224 316 D CA -0.058 53.961 54.000 0.031 0.000 0.879 316 D CB 1.087 41.910 40.800 0.040 0.000 1.057 316 D HN 0.462 nan 8.370 nan 0.000 0.491 317 L N 3.630 124.893 121.223 0.067 0.000 2.591 317 L HA 0.165 4.522 4.340 0.028 0.000 0.228 317 L C 2.336 179.255 176.870 0.082 0.000 1.133 317 L CA -0.137 54.764 54.840 0.102 0.000 0.880 317 L CB -0.073 42.033 42.059 0.078 0.000 1.033 317 L HN 0.296 nan 8.230 nan 0.000 0.450 318 R N 0.698 121.236 120.500 0.062 0.000 2.096 318 R HA -0.184 4.172 4.340 0.028 0.000 0.240 318 R C -0.335 175.992 176.300 0.045 0.000 1.139 318 R CA 1.715 57.845 56.100 0.049 0.000 0.952 318 R CB -1.424 28.903 30.300 0.045 0.000 0.854 318 R HN 0.298 nan 8.270 nan 0.000 0.436 319 P HA -0.140 nan 4.420 nan 0.000 0.218 319 P C 0.531 177.841 177.300 0.017 0.000 1.148 319 P CA 1.307 64.424 63.100 0.027 0.000 0.822 319 P CB 0.141 31.855 31.700 0.024 0.000 0.784 320 Q N -1.248 118.575 119.800 0.038 0.000 2.280 320 Q HA 0.113 4.470 4.340 0.028 0.000 0.201 320 Q C 0.182 176.205 176.000 0.038 0.000 0.890 320 Q CA 0.126 55.948 55.803 0.032 0.000 0.947 320 Q CB -0.400 28.380 28.738 0.070 0.000 1.081 320 Q HN 0.097 nan 8.270 nan 0.000 0.502 321 Q N -0.373 119.449 119.800 0.037 0.000 2.475 321 Q HA -0.213 4.144 4.340 0.028 0.000 0.280 321 Q C -0.921 175.102 176.000 0.038 0.000 1.234 321 Q CA 0.785 56.607 55.803 0.033 0.000 0.873 321 Q CB -2.064 26.687 28.738 0.023 0.000 1.256 321 Q HN 0.402 nan 8.270 nan 0.000 0.475 322 L N -0.014 121.238 121.223 0.049 0.000 2.354 322 L HA 0.541 4.897 4.340 0.028 0.000 0.269 322 L C 0.954 177.849 176.870 0.042 0.000 1.005 322 L CA -0.718 54.151 54.840 0.048 0.000 0.819 322 L CB 1.902 44.000 42.059 0.064 0.000 1.311 322 L HN 0.085 nan 8.230 nan 0.000 0.423 323 T N -1.941 112.634 114.554 0.035 0.000 2.918 323 T HA 0.282 4.649 4.350 0.028 0.000 0.283 323 T C 1.221 175.935 174.700 0.023 0.000 1.001 323 T CA -0.104 62.013 62.100 0.029 0.000 1.041 323 T CB 1.673 70.559 68.868 0.030 0.000 1.028 323 T HN 0.702 nan 8.240 nan 0.000 0.511 324 G N 0.241 109.049 108.800 0.014 0.000 2.422 324 G HA2 -0.215 3.761 3.960 0.028 0.000 0.218 324 G HA3 -0.215 3.761 3.960 0.028 0.000 0.218 324 G C 1.357 176.262 174.900 0.009 0.000 1.146 324 G CA 0.937 46.039 45.100 0.003 0.000 0.769 324 G HN 0.860 nan 8.290 nan 0.000 0.547 325 K N -0.168 120.243 120.400 0.018 0.000 2.032 325 K HA -0.115 4.222 4.320 0.028 0.000 0.209 325 K C 2.544 179.158 176.600 0.024 0.000 1.048 325 K CA 1.839 58.141 56.287 0.025 0.000 0.927 325 K CB -0.355 32.167 32.500 0.038 0.000 0.712 325 K HN 0.264 nan 8.250 nan 0.000 0.441 326 T N 0.616 115.185 114.554 0.025 0.000 2.708 326 T HA -0.104 4.263 4.350 0.028 0.000 0.266 326 T C 1.867 176.582 174.700 0.024 0.000 1.037 326 T CA 1.333 63.448 62.100 0.026 0.000 1.146 326 T CB -0.328 68.558 68.868 0.029 0.000 0.865 326 T HN 0.436 nan 8.240 nan 0.000 0.435 327 A N 1.383 124.216 122.820 0.023 0.000 1.933 327 A HA -0.150 4.186 4.320 0.028 0.000 0.218 327 A C 2.216 179.804 177.584 0.007 0.000 1.175 327 A CA 1.964 54.012 52.037 0.018 0.000 0.628 327 A CB -0.621 18.384 19.000 0.009 0.000 0.814 327 A HN 0.656 nan 8.150 nan 0.000 0.444 328 E N 0.050 120.253 120.200 0.005 0.000 2.077 328 E HA -0.260 4.106 4.350 0.028 0.000 0.193 328 E C 2.078 178.684 176.600 0.011 0.000 0.989 328 E CA 1.556 57.958 56.400 0.004 0.000 0.800 328 E CB -0.189 29.513 29.700 0.004 0.000 0.746 328 E HN 0.640 nan 8.360 nan 0.000 0.452 329 K N 0.371 120.781 120.400 0.016 0.000 2.026 329 K HA -0.124 4.213 4.320 0.028 0.000 0.208 329 K C 2.152 178.763 176.600 0.018 0.000 1.048 329 K CA 1.382 57.679 56.287 0.018 0.000 0.929 329 K CB -0.192 32.320 32.500 0.020 0.000 0.713 329 K HN 0.140 nan 8.250 nan 0.000 0.439 330 V N 1.411 121.337 119.914 0.020 0.000 2.548 330 V HA -0.153 3.984 4.120 0.028 0.000 0.249 330 V C 2.063 178.170 176.094 0.021 0.000 1.055 330 V CA 1.284 63.597 62.300 0.022 0.000 1.065 330 V CB -0.166 31.674 31.823 0.028 0.000 0.681 330 V HN 0.333 nan 8.190 nan 0.000 0.462 331 L N 0.026 121.259 121.223 0.016 0.000 2.093 331 L HA -0.169 4.188 4.340 0.028 0.000 0.208 331 L C 2.330 179.210 176.870 0.016 0.000 1.085 331 L CA 2.172 57.021 54.840 0.014 0.000 0.755 331 L CB -0.666 41.394 42.059 0.002 0.000 0.904 331 L HN 0.436 nan 8.230 nan 0.000 0.435 332 D N 0.202 120.611 120.400 0.015 0.000 2.182 332 D HA -0.229 4.428 4.640 0.028 0.000 0.201 332 D C 1.961 178.272 176.300 0.018 0.000 0.986 332 D CA 1.208 55.218 54.000 0.017 0.000 0.847 332 D CB 0.135 40.945 40.800 0.016 0.000 0.942 332 D HN 0.331 nan 8.370 nan 0.000 0.467 333 E N -0.529 119.681 120.200 0.018 0.000 2.268 333 E HA -0.111 4.256 4.350 0.028 0.000 0.195 333 E C 1.897 178.508 176.600 0.019 0.000 0.995 333 E CA 1.073 57.483 56.400 0.018 0.000 0.836 333 E CB 0.173 29.884 29.700 0.018 0.000 0.763 333 E HN 0.439 nan 8.360 nan 0.000 0.491 334 V N -3.513 116.413 119.914 0.021 0.000 3.542 334 V HA 0.471 4.608 4.120 0.028 0.000 0.296 334 V C 1.074 177.182 176.094 0.023 0.000 1.364 334 V CA 0.367 62.680 62.300 0.022 0.000 1.118 334 V CB 0.126 31.964 31.823 0.025 0.000 0.972 334 V HN 0.238 nan 8.190 nan 0.000 0.430 335 G N 0.893 109.706 108.800 0.022 0.000 2.144 335 G HA2 -0.190 3.787 3.960 0.028 0.000 0.218 335 G HA3 -0.190 3.787 3.960 0.028 0.000 0.218 335 G C -0.183 174.734 174.900 0.028 0.000 0.988 335 G CA 0.149 45.263 45.100 0.024 0.000 0.659 335 G HN 0.593 nan 8.290 nan 0.000 0.522 336 I N 2.173 122.759 120.570 0.026 0.000 2.355 336 I HA 0.352 4.539 4.170 0.028 0.000 0.288 336 I C 0.047 176.174 176.117 0.018 0.000 0.999 336 I CA -0.577 60.738 61.300 0.026 0.000 1.163 336 I CB 1.785 39.799 38.000 0.024 0.000 1.316 336 I HN 0.010 nan 8.210 nan 0.000 0.454 337 T N 6.543 121.108 114.554 0.019 0.000 2.733 337 T HA 0.515 4.881 4.350 0.028 0.000 0.294 337 T C 0.036 174.739 174.700 0.005 0.000 0.956 337 T CA -0.525 61.584 62.100 0.014 0.000 0.987 337 T CB 1.077 69.958 68.868 0.021 0.000 0.920 337 T HN 0.452 nan 8.240 nan 0.000 0.470 338 V N 1.398 121.311 119.914 -0.001 0.000 3.156 338 V HA 0.746 4.883 4.120 0.028 0.000 0.310 338 V C -1.088 175.003 176.094 -0.005 0.000 1.234 338 V CA -1.450 60.844 62.300 -0.009 0.000 1.065 338 V CB 2.189 33.996 31.823 -0.027 0.000 1.088 338 V HN 0.715 nan 8.190 nan 0.000 0.451 339 N N 0.577 119.272 118.700 -0.009 0.000 2.314 339 N HA 0.526 5.282 4.740 0.028 0.000 0.304 339 N C -1.060 174.439 175.510 -0.019 0.000 1.073 339 N CA -1.015 52.031 53.050 -0.007 0.000 0.822 339 N CB 1.876 40.363 38.487 -0.001 0.000 1.280 339 N HN 0.890 nan 8.380 nan 0.000 0.489 340 K N 0.364 120.754 120.400 -0.017 0.000 2.258 340 K HA 0.307 4.643 4.320 0.028 0.000 0.264 340 K C -0.819 175.758 176.600 -0.039 0.000 1.007 340 K CA -0.387 55.886 56.287 -0.024 0.000 0.941 340 K CB 0.619 33.111 32.500 -0.014 0.000 0.966 340 K HN 0.556 nan 8.250 nan 0.000 0.480 341 N N 0.213 118.885 118.700 -0.047 0.000 2.521 341 N HA 0.052 4.809 4.740 0.028 0.000 0.269 341 N C -1.576 173.896 175.510 -0.063 0.000 1.079 341 N CA -0.522 52.492 53.050 -0.060 0.000 0.980 341 N CB 1.717 40.171 38.487 -0.056 0.000 1.667 341 N HN 0.830 nan 8.380 nan 0.000 0.498 342 T N 0.814 115.324 114.554 -0.074 0.000 2.903 342 T HA 0.343 4.709 4.350 0.028 0.000 0.314 342 T C 0.712 175.370 174.700 -0.070 0.000 1.078 342 T CA -0.321 61.739 62.100 -0.066 0.000 1.114 342 T CB 0.041 68.866 68.868 -0.072 0.000 0.987 342 T HN 0.430 nan 8.240 nan 0.000 0.548 343 I N -1.491 119.034 120.570 -0.075 0.000 2.863 343 I HA 0.667 4.853 4.170 0.028 0.000 0.311 343 I C -2.867 173.158 176.117 -0.153 0.000 1.026 343 I CA -3.784 57.443 61.300 -0.122 0.000 1.077 343 I CB 1.452 39.378 38.000 -0.123 0.000 1.262 343 I HN 0.333 nan 8.210 nan 0.000 0.461 344 P HA 0.022 nan 4.420 nan 0.000 0.265 344 P C -1.127 176.037 177.300 -0.227 0.000 1.187 344 P CA 0.661 63.470 63.100 -0.486 0.000 0.766 344 P CB -0.160 31.236 31.700 -0.506 0.000 0.820 345 Y N -1.296 118.925 120.300 -0.133 0.000 3.825 345 Y HA -0.273 4.293 4.550 0.028 0.000 0.221 345 Y C 0.853 176.754 175.900 0.002 0.000 1.195 345 Y CA 0.459 58.557 58.100 -0.003 0.000 1.699 345 Y CB -2.296 36.160 38.460 -0.005 0.000 1.531 345 Y HN 0.383 nan 8.280 nan 0.000 0.640 346 D N 1.823 122.249 120.400 0.042 0.000 2.458 346 D HA 0.028 4.685 4.640 0.028 0.000 0.243 346 D C -0.764 175.568 176.300 0.052 0.000 1.146 346 D CA -0.991 53.031 54.000 0.035 0.000 0.877 346 D CB 1.134 41.931 40.800 -0.004 0.000 1.176 346 D HN 0.153 nan 8.370 nan 0.000 0.461 347 P HA 0.013 nan 4.420 nan 0.000 0.231 347 P C -0.010 177.315 177.300 0.041 0.000 1.168 347 P CA 0.504 63.635 63.100 0.052 0.000 0.779 347 P CB 0.614 32.343 31.700 0.049 0.000 0.844 348 E N 0.546 120.767 120.200 0.035 0.000 2.250 348 E HA 0.247 4.613 4.350 0.028 0.000 0.269 348 E C 0.466 177.087 176.600 0.035 0.000 1.018 348 E CA -0.374 56.048 56.400 0.036 0.000 0.873 348 E CB 1.302 31.021 29.700 0.032 0.000 1.134 348 E HN 0.071 nan 8.360 nan 0.000 0.403 349 S N 1.110 116.844 115.700 0.056 0.000 2.608 349 S HA 0.135 4.622 4.470 0.028 0.000 0.261 349 S C -1.763 172.856 174.600 0.031 0.000 1.314 349 S CA -0.979 57.265 58.200 0.073 0.000 0.992 349 S CB 0.739 64.030 63.200 0.150 0.000 0.935 349 S HN 0.163 nan 8.310 nan 0.000 0.564 350 P HA 0.008 nan 4.420 nan 0.000 0.222 350 P C 0.625 177.739 177.300 -0.311 0.000 1.147 350 P CA 1.149 64.107 63.100 -0.237 0.000 0.790 350 P CB -0.189 31.252 31.700 -0.431 0.000 0.780 351 F N -1.980 117.959 119.950 -0.018 0.000 2.789 351 F HA 0.017 4.560 4.527 0.027 0.000 0.300 351 F C 1.949 177.744 175.800 -0.009 0.000 1.132 351 F CA 0.381 58.373 58.000 -0.014 0.000 1.404 351 F CB -0.275 38.717 39.000 -0.013 0.000 1.114 351 F HN -0.244 nan 8.300 nan 0.000 0.584 352 V N -2.027 117.961 119.914 0.124 0.000 3.134 352 V HA 0.149 4.286 4.120 0.028 0.000 0.222 352 V C 0.627 176.742 176.094 0.034 0.000 1.247 352 V CA 0.834 63.180 62.300 0.077 0.000 1.281 352 V CB -0.018 31.850 31.823 0.075 0.000 1.169 352 V HN 0.364 nan 8.190 nan 0.000 0.512 353 T N -0.525 114.039 114.554 0.018 0.000 0.541 353 T HA -0.223 4.143 4.350 0.028 0.000 0.774 353 T C 0.108 174.811 174.700 0.006 0.000 0.992 353 T CA 0.368 62.466 62.100 -0.003 0.000 4.077 353 T CB -1.466 67.387 68.868 -0.026 0.000 2.303 353 T HN 0.436 nan 8.240 nan 0.000 0.398 354 S N 1.070 116.769 115.700 -0.001 0.000 2.664 354 S HA 0.620 5.107 4.470 0.028 0.000 0.245 354 S C 0.686 175.285 174.600 -0.001 0.000 1.019 354 S CA -0.097 58.108 58.200 0.008 0.000 0.996 354 S CB 0.696 63.905 63.200 0.015 0.000 0.878 354 S HN 1.290 nan 8.310 nan 0.000 0.493 355 G N 1.567 110.357 108.800 -0.016 0.000 2.684 355 G HA2 0.700 4.677 3.960 0.028 0.000 0.290 355 G HA3 0.700 4.677 3.960 0.028 0.000 0.290 355 G C -1.437 173.440 174.900 -0.037 0.000 1.425 355 G CA -0.876 44.207 45.100 -0.028 0.000 0.822 355 G HN 0.305 nan 8.290 nan 0.000 0.482 356 I N -1.770 118.768 120.570 -0.053 0.000 2.545 356 I HA 0.735 4.922 4.170 0.028 0.000 0.292 356 I C -0.324 175.751 176.117 -0.069 0.000 1.040 356 I CA -1.180 60.085 61.300 -0.059 0.000 1.068 356 I CB 2.451 40.409 38.000 -0.069 0.000 1.251 356 I HN 0.460 nan 8.210 nan 0.000 0.424 357 R N 5.926 126.391 120.500 -0.057 0.000 2.312 357 R HA 0.765 5.122 4.340 0.028 0.000 0.311 357 R C -1.536 174.731 176.300 -0.054 0.000 1.004 357 R CA -0.479 55.584 56.100 -0.061 0.000 0.902 357 R CB 1.278 31.549 30.300 -0.049 0.000 1.073 357 R HN 0.818 nan 8.270 nan 0.000 0.457 358 I N 2.443 122.971 120.570 -0.069 0.000 2.647 358 I HA 0.509 4.695 4.170 0.028 0.000 0.295 358 I C -0.063 176.016 176.117 -0.063 0.000 1.078 358 I CA -0.829 60.437 61.300 -0.057 0.000 1.048 358 I CB 2.564 40.521 38.000 -0.072 0.000 1.239 358 I HN 0.809 nan 8.210 nan 0.000 0.421 359 G N 1.008 109.794 108.800 -0.023 0.000 2.672 359 G HA2 0.502 4.479 3.960 0.028 0.000 0.292 359 G HA3 0.502 4.479 3.960 0.028 0.000 0.292 359 G C -0.086 174.832 174.900 0.029 0.000 1.375 359 G CA -0.241 44.855 45.100 -0.006 0.000 0.890 359 G HN 0.569 nan 8.290 nan 0.000 0.476 360 T N -2.356 112.230 114.554 0.052 0.000 3.085 360 T HA 0.407 4.773 4.350 0.028 0.000 0.264 360 T C 2.056 176.783 174.700 0.046 0.000 1.019 360 T CA 1.183 63.308 62.100 0.042 0.000 0.910 360 T CB 0.778 69.666 68.868 0.034 0.000 1.059 360 T HN 0.790 nan 8.240 nan 0.000 0.542 361 A N 1.839 124.703 122.820 0.074 0.000 1.908 361 A HA 0.259 4.595 4.320 0.028 0.000 0.218 361 A C 2.676 180.324 177.584 0.107 0.000 1.181 361 A CA 1.778 53.869 52.037 0.090 0.000 0.627 361 A CB -1.296 17.763 19.000 0.098 0.000 0.818 361 A HN 0.726 nan 8.150 nan 0.000 0.445 362 A N -0.129 122.675 122.820 -0.026 0.000 1.855 362 A HA 0.022 4.359 4.320 0.028 0.000 0.215 362 A C 2.319 179.926 177.584 0.038 0.000 1.191 362 A CA 2.167 54.113 52.037 -0.152 0.000 0.613 362 A CB -1.284 17.466 19.000 -0.417 0.000 0.829 362 A HN 1.137 nan 8.150 nan 0.000 0.442 363 V N -2.466 117.420 119.914 -0.047 0.000 2.626 363 V HA -0.156 3.981 4.120 0.028 0.000 0.252 363 V C 2.114 178.164 176.094 -0.074 0.000 1.067 363 V CA 2.593 64.743 62.300 -0.251 0.000 1.081 363 V CB -1.806 29.820 31.823 -0.328 0.000 0.686 363 V HN 0.421 nan 8.190 nan 0.000 0.468 364 T N 0.474 115.085 114.554 0.095 0.000 2.777 364 T HA -0.129 4.237 4.350 0.028 0.000 0.266 364 T C 1.953 176.841 174.700 0.314 0.000 1.040 364 T CA 2.084 64.301 62.100 0.194 0.000 1.141 364 T CB -0.584 68.347 68.868 0.106 0.000 0.868 364 T HN 0.628 nan 8.240 nan 0.000 0.444 365 T N 2.508 117.280 114.554 0.364 0.000 2.759 365 T HA -0.148 4.219 4.350 0.028 0.000 0.269 365 T C 1.923 176.717 174.700 0.156 0.000 1.042 365 T CA 1.274 63.496 62.100 0.204 0.000 1.140 365 T CB -0.249 68.712 68.868 0.154 0.000 0.864 365 T HN 0.574 nan 8.240 nan 0.000 0.455 366 R N 1.032 121.617 120.500 0.141 0.000 2.323 366 R HA 0.257 4.614 4.340 0.028 0.000 0.198 366 R C 1.529 177.909 176.300 0.133 0.000 0.988 366 R CA 0.838 56.971 56.100 0.054 0.000 1.041 366 R CB -0.165 30.080 30.300 -0.093 0.000 0.926 366 R HN 0.396 nan 8.270 nan 0.000 0.476 367 G N 0.160 109.075 108.800 0.191 0.000 2.184 367 G HA2 -0.232 3.744 3.960 0.028 0.000 0.206 367 G HA3 -0.232 3.744 3.960 0.028 0.000 0.206 367 G C 0.019 175.132 174.900 0.355 0.000 0.995 367 G CA -0.413 44.829 45.100 0.237 0.000 0.651 367 G HN 0.294 nan 8.290 nan 0.000 0.511 368 F N 1.311 121.308 119.950 0.077 0.000 2.518 368 F HA 0.450 4.995 4.527 0.030 0.000 0.359 368 F C 1.486 177.315 175.800 0.049 0.000 1.118 368 F CA 0.098 58.132 58.000 0.056 0.000 1.287 368 F CB 1.035 40.069 39.000 0.057 0.000 1.132 368 F HN 0.219 nan 8.300 nan 0.000 0.587 369 G N 2.130 111.027 108.800 0.161 0.000 3.209 369 G HA2 0.421 4.397 3.960 0.028 0.000 0.236 369 G HA3 0.421 4.397 3.960 0.028 0.000 0.236 369 G C 0.548 175.483 174.900 0.057 0.000 1.329 369 G CA -0.826 44.328 45.100 0.090 0.000 1.015 369 G HN 0.595 nan 8.290 nan 0.000 0.571 370 L N -0.091 121.151 121.223 0.033 0.000 2.046 370 L HA -0.063 4.293 4.340 0.028 0.000 0.208 370 L C 2.776 179.649 176.870 0.006 0.000 1.077 370 L CA 1.098 55.951 54.840 0.022 0.000 0.747 370 L CB -0.299 41.769 42.059 0.015 0.000 0.896 370 L HN 0.390 nan 8.230 nan 0.000 0.432 371 E N 0.356 120.549 120.200 -0.013 0.000 2.110 371 E HA -0.208 4.158 4.350 0.028 0.000 0.193 371 E C 2.083 178.646 176.600 -0.062 0.000 0.988 371 E CA 1.123 57.503 56.400 -0.033 0.000 0.804 371 E CB -0.139 29.535 29.700 -0.044 0.000 0.745 371 E HN 0.492 nan 8.360 nan 0.000 0.458 372 E N 0.142 120.284 120.200 -0.097 0.000 2.106 372 E HA -0.079 4.287 4.350 0.028 0.000 0.192 372 E C 1.956 178.539 176.600 -0.030 0.000 0.984 372 E CA 0.735 57.030 56.400 -0.176 0.000 0.806 372 E CB -0.149 29.290 29.700 -0.434 0.000 0.750 372 E HN 0.125 nan 8.360 nan 0.000 0.458 373 M N 0.835 120.455 119.600 0.035 0.000 2.117 373 M HA -0.136 4.360 4.480 0.028 0.000 0.262 373 M C 1.288 177.609 176.300 0.034 0.000 1.065 373 M CA 1.378 56.714 55.300 0.059 0.000 1.114 373 M CB -0.904 31.729 32.600 0.055 0.000 1.361 373 M HN 0.041 nan 8.290 nan 0.000 0.408 374 D N 0.100 120.509 120.400 0.016 0.000 2.117 374 D HA -0.177 4.479 4.640 0.028 0.000 0.197 374 D C 2.018 178.327 176.300 0.014 0.000 0.987 374 D CA 1.308 55.317 54.000 0.015 0.000 0.829 374 D CB -0.198 40.605 40.800 0.006 0.000 0.961 374 D HN 0.367 nan 8.370 nan 0.000 0.460 375 E N 0.632 120.829 120.200 -0.005 0.000 2.047 375 E HA -0.078 4.289 4.350 0.028 0.000 0.191 375 E C 2.151 178.760 176.600 0.016 0.000 0.987 375 E CA 0.637 57.033 56.400 -0.007 0.000 0.799 375 E CB -0.379 29.294 29.700 -0.044 0.000 0.752 375 E HN 0.266 nan 8.360 nan 0.000 0.449 376 I N 0.537 121.126 120.570 0.030 0.000 2.163 376 I HA -0.308 3.879 4.170 0.028 0.000 0.243 376 I C 2.373 178.516 176.117 0.044 0.000 1.085 376 I CA 1.259 62.591 61.300 0.055 0.000 1.347 376 I CB -0.418 37.637 38.000 0.091 0.000 1.044 376 I HN 0.209 nan 8.210 nan 0.000 0.408 377 A N 0.560 123.406 122.820 0.044 0.000 1.933 377 A HA -0.157 4.180 4.320 0.028 0.000 0.218 377 A C 2.519 180.160 177.584 0.095 0.000 1.175 377 A CA 1.832 53.904 52.037 0.058 0.000 0.628 377 A CB -0.809 18.231 19.000 0.067 0.000 0.814 377 A HN 0.444 nan 8.150 nan 0.000 0.444 378 A N -0.105 122.757 122.820 0.071 0.000 1.930 378 A HA -0.031 4.306 4.320 0.028 0.000 0.217 378 A C 2.082 179.710 177.584 0.072 0.000 1.175 378 A CA 1.411 53.490 52.037 0.070 0.000 0.627 378 A CB -0.563 18.461 19.000 0.040 0.000 0.815 378 A HN 0.508 nan 8.150 nan 0.000 0.443 379 I N -0.445 120.160 120.570 0.058 0.000 2.252 379 I HA -0.236 3.951 4.170 0.028 0.000 0.245 379 I C 2.230 178.389 176.117 0.070 0.000 1.102 379 I CA 1.255 62.587 61.300 0.054 0.000 1.385 379 I CB -0.330 37.696 38.000 0.042 0.000 1.064 379 I HN 0.269 nan 8.210 nan 0.000 0.414 380 I N 0.816 121.427 120.570 0.068 0.000 2.286 380 I HA -0.197 3.990 4.170 0.028 0.000 0.248 380 I C 2.641 178.885 176.117 0.211 0.000 1.115 380 I CA 1.496 62.833 61.300 0.062 0.000 1.392 380 I CB -0.763 37.199 38.000 -0.063 0.000 1.065 380 I HN 0.266 nan 8.210 nan 0.000 0.418 381 G N 1.083 110.061 108.800 0.298 0.000 2.421 381 G HA2 -0.262 3.715 3.960 0.028 0.000 0.216 381 G HA3 -0.262 3.715 3.960 0.028 0.000 0.216 381 G C 1.650 176.647 174.900 0.163 0.000 1.171 381 G CA 0.680 45.983 45.100 0.338 0.000 0.775 381 G HN 0.288 nan 8.290 nan 0.000 0.543 382 L N 0.799 122.087 121.223 0.109 0.000 2.012 382 L HA -0.064 4.293 4.340 0.028 0.000 0.210 382 L C 2.862 179.774 176.870 0.070 0.000 1.073 382 L CA 1.723 56.603 54.840 0.067 0.000 0.748 382 L CB -0.591 41.498 42.059 0.052 0.000 0.891 382 L HN 0.086 nan 8.230 nan 0.000 0.431 383 V N -0.176 119.788 119.914 0.083 0.000 2.244 383 V HA -0.285 3.852 4.120 0.028 0.000 0.244 383 V C 2.525 178.673 176.094 0.091 0.000 1.042 383 V CA 2.113 64.457 62.300 0.073 0.000 1.006 383 V CB -0.614 31.245 31.823 0.061 0.000 0.641 383 V HN 0.457 nan 8.190 nan 0.000 0.446 384 L N -0.500 120.811 121.223 0.147 0.000 2.201 384 L HA -0.126 4.230 4.340 0.028 0.000 0.212 384 L C 2.334 179.285 176.870 0.134 0.000 1.105 384 L CA 1.399 56.344 54.840 0.175 0.000 0.775 384 L CB -0.574 41.674 42.059 0.314 0.000 0.913 384 L HN 0.345 nan 8.230 nan 0.000 0.440 385 K N 0.182 120.640 120.400 0.097 0.000 2.400 385 K HA 0.035 4.372 4.320 0.028 0.000 0.194 385 K C 0.084 176.698 176.600 0.023 0.000 1.033 385 K CA 0.388 56.690 56.287 0.024 0.000 1.021 385 K CB 0.146 32.628 32.500 -0.030 0.000 0.808 385 K HN 0.326 nan 8.250 nan 0.000 0.505 386 N N 0.126 118.848 118.700 0.036 0.000 2.610 386 N HA 0.058 4.814 4.740 0.028 0.000 0.307 386 N C 0.378 175.906 175.510 0.030 0.000 1.813 386 N CA -0.108 52.958 53.050 0.026 0.000 0.901 386 N CB 1.329 39.829 38.487 0.023 0.000 1.354 386 N HN -0.208 nan 8.380 nan 0.000 0.491 387 V N -0.199 119.735 119.914 0.034 0.000 2.469 387 V HA -0.165 3.971 4.120 0.028 0.000 0.251 387 V C 2.110 178.219 176.094 0.025 0.000 1.064 387 V CA 2.278 64.598 62.300 0.033 0.000 1.066 387 V CB -0.419 31.425 31.823 0.036 0.000 0.667 387 V HN 0.639 nan 8.190 nan 0.000 0.461 388 G N -1.330 107.482 108.800 0.021 0.000 2.985 388 G HA2 0.007 3.983 3.960 0.028 0.000 0.209 388 G HA3 0.007 3.983 3.960 0.028 0.000 0.209 388 G C 0.674 175.583 174.900 0.015 0.000 1.165 388 G CA 0.634 45.744 45.100 0.017 0.000 0.776 388 G HN 0.451 nan 8.290 nan 0.000 0.541 389 S N 0.378 116.088 115.700 0.016 0.000 2.410 389 S HA 0.293 4.779 4.470 0.028 0.000 0.304 389 S C 1.123 175.732 174.600 0.015 0.000 1.095 389 S CA -0.559 57.650 58.200 0.015 0.000 1.089 389 S CB 0.884 64.093 63.200 0.014 0.000 0.968 389 S HN 0.181 nan 8.310 nan 0.000 0.480 390 E N 3.697 123.905 120.200 0.014 0.000 2.204 390 E HA -0.147 4.219 4.350 0.028 0.000 0.194 390 E C 2.019 178.627 176.600 0.013 0.000 0.989 390 E CA 0.993 57.401 56.400 0.014 0.000 0.824 390 E CB -0.013 29.694 29.700 0.012 0.000 0.756 390 E HN 0.904 nan 8.360 nan 0.000 0.477 391 Q N 0.294 120.101 119.800 0.012 0.000 2.079 391 Q HA -0.019 4.338 4.340 0.028 0.000 0.200 391 Q C 2.193 178.201 176.000 0.014 0.000 0.974 391 Q CA 1.427 57.237 55.803 0.012 0.000 0.840 391 Q CB -0.415 28.329 28.738 0.010 0.000 0.898 391 Q HN 0.152 nan 8.270 nan 0.000 0.430 392 A N 2.099 124.929 122.820 0.016 0.000 1.902 392 A HA -0.112 4.225 4.320 0.028 0.000 0.217 392 A C 2.277 179.874 177.584 0.022 0.000 1.181 392 A CA 1.158 53.207 52.037 0.019 0.000 0.623 392 A CB -0.739 18.275 19.000 0.023 0.000 0.818 392 A HN 0.319 nan 8.150 nan 0.000 0.443 393 L N -0.937 120.299 121.223 0.021 0.000 2.046 393 L HA -0.210 4.146 4.340 0.028 0.000 0.208 393 L C 2.698 179.580 176.870 0.019 0.000 1.077 393 L CA 1.900 56.754 54.840 0.022 0.000 0.747 393 L CB -0.574 41.498 42.059 0.021 0.000 0.896 393 L HN 0.494 nan 8.230 nan 0.000 0.432 394 E N 0.649 120.859 120.200 0.017 0.000 2.072 394 E HA -0.262 4.104 4.350 0.028 0.000 0.191 394 E C 2.015 178.624 176.600 0.015 0.000 0.985 394 E CA 1.478 57.887 56.400 0.015 0.000 0.801 394 E CB -0.027 29.681 29.700 0.013 0.000 0.750 394 E HN 0.413 nan 8.360 nan 0.000 0.452 395 E N -0.310 119.899 120.200 0.015 0.000 2.051 395 E HA -0.227 4.139 4.350 0.028 0.000 0.192 395 E C 1.972 178.582 176.600 0.017 0.000 0.991 395 E CA 1.156 57.564 56.400 0.014 0.000 0.799 395 E CB -0.290 29.418 29.700 0.014 0.000 0.748 395 E HN 0.320 nan 8.360 nan 0.000 0.449 396 A N 1.507 124.340 122.820 0.021 0.000 1.892 396 A HA -0.236 4.101 4.320 0.028 0.000 0.218 396 A C 2.223 179.821 177.584 0.022 0.000 1.188 396 A CA 1.759 53.810 52.037 0.024 0.000 0.631 396 A CB -0.636 18.381 19.000 0.029 0.000 0.822 396 A HN 0.223 nan 8.150 nan 0.000 0.447 397 R N -0.803 119.709 120.500 0.021 0.000 2.091 397 R HA -0.197 4.159 4.340 0.028 0.000 0.238 397 R C 2.518 178.828 176.300 0.017 0.000 1.136 397 R CA 1.957 58.068 56.100 0.019 0.000 0.959 397 R CB -0.337 29.974 30.300 0.017 0.000 0.856 397 R HN 0.728 nan 8.270 nan 0.000 0.437 398 Q N -0.360 119.449 119.800 0.015 0.000 2.119 398 Q HA -0.124 4.233 4.340 0.028 0.000 0.201 398 Q C 2.089 178.095 176.000 0.010 0.000 0.972 398 Q CA 1.239 57.049 55.803 0.012 0.000 0.847 398 Q CB 0.015 28.759 28.738 0.010 0.000 0.903 398 Q HN 0.300 nan 8.270 nan 0.000 0.433 399 R N -0.235 120.272 120.500 0.011 0.000 2.115 399 R HA -0.060 4.296 4.340 0.028 0.000 0.226 399 R C 2.269 178.575 176.300 0.010 0.000 1.100 399 R CA 0.900 57.004 56.100 0.007 0.000 0.980 399 R CB -0.167 30.138 30.300 0.009 0.000 0.875 399 R HN 0.065 nan 8.270 nan 0.000 0.445 400 V N 1.078 121.005 119.914 0.021 0.000 2.307 400 V HA -0.229 3.908 4.120 0.028 0.000 0.245 400 V C 2.423 178.534 176.094 0.028 0.000 1.045 400 V CA 2.015 64.336 62.300 0.035 0.000 1.024 400 V CB -0.682 31.163 31.823 0.037 0.000 0.651 400 V HN 0.398 nan 8.190 nan 0.000 0.449 401 A N -0.081 122.750 122.820 0.018 0.000 1.978 401 A HA -0.130 4.206 4.320 0.028 0.000 0.220 401 A C 2.366 179.956 177.584 0.011 0.000 1.170 401 A CA 2.070 54.116 52.037 0.014 0.000 0.636 401 A CB -0.661 18.349 19.000 0.016 0.000 0.810 401 A HN 0.586 nan 8.150 nan 0.000 0.448 402 A N -0.565 122.258 122.820 0.004 0.000 1.968 402 A HA 0.082 4.419 4.320 0.028 0.000 0.217 402 A C 2.125 179.694 177.584 -0.024 0.000 1.169 402 A CA 1.275 53.307 52.037 -0.008 0.000 0.638 402 A CB -0.434 18.557 19.000 -0.015 0.000 0.812 402 A HN 0.465 nan 8.150 nan 0.000 0.446 403 L N -0.293 120.914 121.223 -0.027 0.000 2.072 403 L HA -0.116 4.240 4.340 0.028 0.000 0.205 403 L C 2.865 179.764 176.870 0.048 0.000 1.079 403 L CA 1.781 56.581 54.840 -0.067 0.000 0.752 403 L CB -0.548 41.485 42.059 -0.044 0.000 0.906 403 L HN 0.607 nan 8.230 nan 0.000 0.436 404 T N -3.876 110.717 114.554 0.065 0.000 3.088 404 T HA 0.027 4.393 4.350 0.028 0.000 0.259 404 T C 0.516 175.169 174.700 -0.079 0.000 1.122 404 T CA 0.279 62.364 62.100 -0.024 0.000 1.095 404 T CB -0.152 68.633 68.868 -0.138 0.000 0.930 404 T HN 0.516 nan 8.240 nan 0.000 0.508 405 D N 0.000 120.411 120.400 0.018 0.000 6.856 405 D HA 0.000 4.657 4.640 0.028 0.000 0.175 405 D CA 0.000 54.048 54.000 0.081 0.000 0.868 405 D CB 0.000 40.883 40.800 0.138 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683