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 2w7f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE FAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.217 176.300 -0.138 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 K N 0.507 120.808 120.400 -0.164 0.000 2.344 2 K HA 0.238 4.579 4.320 0.034 0.000 0.200 2 K C 0.616 176.912 176.600 -0.507 0.000 1.132 2 K CA 0.761 56.813 56.287 -0.391 0.000 0.935 2 K CB 0.478 32.649 32.500 -0.549 0.000 1.089 2 K HN 0.645 nan 8.250 nan 0.000 0.496 3 Y N 0.163 120.387 120.300 -0.127 0.000 2.441 3 Y HA 0.077 4.636 4.550 0.015 0.000 0.288 3 Y C 1.830 177.648 175.900 -0.136 0.000 1.118 3 Y CA 0.047 58.079 58.100 -0.112 0.000 1.215 3 Y CB -0.049 38.367 38.460 -0.074 0.000 1.118 3 Y HN 0.002 nan 8.280 nan 0.000 0.547 4 L N 1.527 122.750 121.223 -0.000 0.000 2.012 4 L HA -0.099 4.262 4.340 0.034 0.000 0.210 4 L C -0.920 175.830 176.870 -0.200 0.000 1.073 4 L CA 2.064 56.875 54.840 -0.048 0.000 0.748 4 L CB -1.574 40.502 42.059 0.028 0.000 0.891 4 L HN 0.002 nan 8.230 nan 0.000 0.431 5 P HA -0.200 nan 4.420 nan 0.000 0.216 5 P C 1.458 178.601 177.300 -0.261 0.000 1.150 5 P CA 1.298 63.966 63.100 -0.721 0.000 0.837 5 P CB 0.068 31.151 31.700 -1.030 0.000 0.786 6 Q N -0.504 119.178 119.800 -0.197 0.000 2.096 6 Q HA -0.167 4.193 4.340 0.034 0.000 0.197 6 Q C 2.310 178.285 176.000 -0.042 0.000 0.964 6 Q CA 1.573 57.317 55.803 -0.098 0.000 0.838 6 Q CB -0.880 27.804 28.738 -0.090 0.000 0.906 6 Q HN 0.044 nan 8.270 nan 0.000 0.444 7 Q N 0.182 119.968 119.800 -0.024 0.000 2.083 7 Q HA -0.061 4.299 4.340 0.034 0.000 0.198 7 Q C -0.354 175.652 176.000 0.011 0.000 0.969 7 Q CA 1.594 57.400 55.803 0.004 0.000 0.838 7 Q CB 0.260 29.011 28.738 0.021 0.000 0.900 7 Q HN 0.175 nan 8.270 nan 0.000 0.436 8 D N -1.286 119.126 120.400 0.020 0.000 2.517 8 D HA 0.210 4.870 4.640 0.034 0.000 0.263 8 D C -2.238 174.116 176.300 0.090 0.000 1.233 8 D CA -1.761 52.267 54.000 0.048 0.000 0.849 8 D CB 1.255 42.087 40.800 0.053 0.000 1.261 8 D HN -0.023 nan 8.370 nan 0.000 0.516 9 P HA -0.158 nan 4.420 nan 0.000 0.216 9 P C 1.423 178.803 177.300 0.133 0.000 1.150 9 P CA 1.244 64.420 63.100 0.127 0.000 0.843 9 P CB 0.541 32.287 31.700 0.077 0.000 0.787 10 Q N -0.818 119.031 119.800 0.082 0.000 2.050 10 Q HA -0.102 4.258 4.340 0.034 0.000 0.202 10 Q C 2.146 178.183 176.000 0.061 0.000 0.980 10 Q CA 1.365 57.203 55.803 0.057 0.000 0.840 10 Q CB -0.776 27.984 28.738 0.037 0.000 0.898 10 Q HN 0.101 nan 8.270 nan 0.000 0.424 11 V N 0.577 120.538 119.914 0.078 0.000 2.343 11 V HA -0.242 3.899 4.120 0.034 0.000 0.247 11 V C 1.953 178.113 176.094 0.110 0.000 1.051 11 V CA 1.709 64.055 62.300 0.077 0.000 1.036 11 V CB -0.614 31.254 31.823 0.075 0.000 0.654 11 V HN 0.312 nan 8.190 nan 0.000 0.451 12 F N 1.653 121.606 119.950 0.005 0.000 2.126 12 F HA -0.186 4.352 4.527 0.017 0.000 0.299 12 F C 2.284 178.085 175.800 0.003 0.000 1.096 12 F CA 1.383 59.386 58.000 0.004 0.000 1.255 12 F CB -0.669 38.333 39.000 0.003 0.000 0.997 12 F HN 0.080 nan 8.300 nan 0.000 0.479 13 A N 0.146 122.922 122.820 -0.074 0.000 1.933 13 A HA -0.045 4.296 4.320 0.034 0.000 0.218 13 A C 2.408 179.888 177.584 -0.175 0.000 1.175 13 A CA 1.828 53.764 52.037 -0.169 0.000 0.628 13 A CB -1.495 17.484 19.000 -0.034 0.000 0.814 13 A HN 0.496 nan 8.150 nan 0.000 0.444 14 A N -0.111 122.650 122.820 -0.099 0.000 1.897 14 A HA 0.008 4.348 4.320 0.034 0.000 0.215 14 A C 2.102 179.628 177.584 -0.096 0.000 1.181 14 A CA 1.297 53.291 52.037 -0.072 0.000 0.620 14 A CB -0.544 18.439 19.000 -0.028 0.000 0.821 14 A HN 0.472 nan 8.150 nan 0.000 0.443 15 I N -0.200 120.301 120.570 -0.115 0.000 2.163 15 I HA -0.246 3.944 4.170 0.034 0.000 0.243 15 I C 2.475 178.483 176.117 -0.183 0.000 1.085 15 I CA 1.367 62.601 61.300 -0.112 0.000 1.347 15 I CB -0.386 37.580 38.000 -0.056 0.000 1.044 15 I HN 0.317 nan 8.210 nan 0.000 0.408 16 E N 0.644 120.627 120.200 -0.361 0.000 2.077 16 E HA -0.251 4.119 4.350 0.034 0.000 0.193 16 E C 2.152 178.643 176.600 -0.183 0.000 0.989 16 E CA 1.250 57.440 56.400 -0.349 0.000 0.800 16 E CB -0.309 29.046 29.700 -0.575 0.000 0.746 16 E HN 0.596 nan 8.360 nan 0.000 0.452 17 Q N 0.286 119.996 119.800 -0.149 0.000 2.061 17 Q HA -0.224 4.136 4.340 0.034 0.000 0.204 17 Q C 2.165 178.137 176.000 -0.048 0.000 0.984 17 Q CA 1.764 57.519 55.803 -0.080 0.000 0.846 17 Q CB -0.125 28.577 28.738 -0.061 0.000 0.902 17 Q HN 0.115 nan 8.270 nan 0.000 0.421 18 E N 0.993 121.165 120.200 -0.047 0.000 2.072 18 E HA -0.189 4.182 4.350 0.034 0.000 0.191 18 E C 1.822 178.424 176.600 0.003 0.000 0.985 18 E CA 1.276 57.669 56.400 -0.011 0.000 0.801 18 E CB -0.075 29.621 29.700 -0.007 0.000 0.750 18 E HN 0.178 nan 8.360 nan 0.000 0.452 19 R N 0.265 120.751 120.500 -0.023 0.000 2.083 19 R HA -0.139 4.221 4.340 0.034 0.000 0.237 19 R C 2.121 178.419 176.300 -0.004 0.000 1.137 19 R CA 1.977 58.068 56.100 -0.015 0.000 0.951 19 R CB -0.068 30.206 30.300 -0.044 0.000 0.851 19 R HN 0.084 nan 8.270 nan 0.000 0.434 20 K N -0.306 120.083 120.400 -0.018 0.000 2.097 20 K HA -0.122 4.218 4.320 0.034 0.000 0.205 20 K C 2.263 178.896 176.600 0.054 0.000 1.050 20 K CA 1.055 57.347 56.287 0.009 0.000 0.938 20 K CB -0.166 32.322 32.500 -0.019 0.000 0.718 20 K HN 0.135 nan 8.250 nan 0.000 0.442 21 R N 1.578 122.099 120.500 0.035 0.000 2.091 21 R HA -0.179 4.181 4.340 0.034 0.000 0.238 21 R C 2.089 178.427 176.300 0.063 0.000 1.136 21 R CA 1.676 57.803 56.100 0.045 0.000 0.959 21 R CB -0.039 30.282 30.300 0.034 0.000 0.856 21 R HN 0.294 nan 8.270 nan 0.000 0.437 22 Q N -1.280 118.564 119.800 0.072 0.000 2.124 22 Q HA -0.235 4.125 4.340 0.034 0.000 0.202 22 Q C 1.934 177.923 176.000 -0.019 0.000 0.977 22 Q CA 1.909 57.769 55.803 0.095 0.000 0.850 22 Q CB -0.173 28.640 28.738 0.125 0.000 0.901 22 Q HN 0.537 nan 8.270 nan 0.000 0.429 23 H N -0.189 118.822 119.070 -0.098 0.000 2.363 23 H HA 0.041 4.617 4.556 0.033 0.000 0.301 23 H C 1.789 177.093 175.328 -0.040 0.000 1.074 23 H CA 1.532 57.512 56.048 -0.113 0.000 1.354 23 H CB 0.062 29.772 29.762 -0.087 0.000 1.397 23 H HN 0.220 nan 8.280 nan 0.000 0.516 24 A N 0.913 123.736 122.820 0.006 0.000 1.968 24 A HA 0.042 4.382 4.320 0.034 0.000 0.217 24 A C 0.979 178.548 177.584 -0.025 0.000 1.169 24 A CA 0.519 52.553 52.037 -0.004 0.000 0.638 24 A CB 0.025 19.066 19.000 0.068 0.000 0.812 24 A HN 0.170 nan 8.150 nan 0.000 0.446 25 K N -0.251 120.147 120.400 -0.004 0.000 2.087 25 K HA 0.518 4.859 4.320 0.034 0.000 0.255 25 K C -0.772 175.839 176.600 0.017 0.000 0.988 25 K CA -0.385 55.915 56.287 0.020 0.000 0.915 25 K CB 1.092 33.617 32.500 0.041 0.000 1.043 25 K HN 0.224 nan 8.250 nan 0.000 0.457 26 I N 2.079 122.671 120.570 0.036 0.000 2.291 26 I HA 0.031 4.222 4.170 0.034 0.000 0.290 26 I C 0.318 176.451 176.117 0.025 0.000 1.050 26 I CA -0.607 60.713 61.300 0.032 0.000 1.245 26 I CB 0.731 38.786 38.000 0.091 0.000 1.405 26 I HN 0.428 nan 8.210 nan 0.000 0.478 27 E N 7.299 127.515 120.200 0.027 0.000 2.052 27 E HA 0.203 4.573 4.350 0.034 0.000 0.283 27 E C -0.094 176.500 176.600 -0.010 0.000 1.071 27 E CA 0.167 56.584 56.400 0.028 0.000 0.851 27 E CB 0.545 30.286 29.700 0.069 0.000 1.066 27 E HN 0.584 nan 8.360 nan 0.000 0.396 28 L N 4.991 126.210 121.223 -0.006 0.000 2.808 28 L HA 0.343 4.704 4.340 0.034 0.000 0.246 28 L C 0.291 177.157 176.870 -0.006 0.000 1.153 28 L CA -0.398 54.437 54.840 -0.008 0.000 0.956 28 L CB 0.084 42.139 42.059 -0.007 0.000 1.270 28 L HN 0.543 nan 8.230 nan 0.000 0.528 29 I N 1.094 121.660 120.570 -0.006 0.000 2.662 29 I HA -0.086 4.104 4.170 0.034 0.000 0.285 29 I C 1.655 177.793 176.117 0.035 0.000 1.161 29 I CA 0.025 61.331 61.300 0.011 0.000 1.415 29 I CB 1.307 39.312 38.000 0.008 0.000 1.385 29 I HN 0.166 nan 8.210 nan 0.000 0.552 30 A N 4.654 127.522 122.820 0.079 0.000 2.019 30 A HA -0.155 4.185 4.320 0.034 0.000 0.219 30 A C 2.185 179.915 177.584 0.243 0.000 1.164 30 A CA 1.858 53.991 52.037 0.160 0.000 0.644 30 A CB -0.441 18.632 19.000 0.121 0.000 0.805 30 A HN 0.812 nan 8.150 nan 0.000 0.449 31 S N -0.843 114.952 115.700 0.158 0.000 2.558 31 S HA 0.136 4.627 4.470 0.034 0.000 0.217 31 S C 0.482 175.055 174.600 -0.045 0.000 0.975 31 S CA -0.128 58.044 58.200 -0.047 0.000 0.912 31 S CB 0.010 63.181 63.200 -0.048 0.000 0.776 31 S HN 0.628 nan 8.310 nan 0.000 0.526 32 E N 1.254 121.431 120.200 -0.037 0.000 2.283 32 E HA 0.530 4.901 4.350 0.034 0.000 0.267 32 E C -0.377 176.100 176.600 -0.206 0.000 1.045 32 E CA -0.587 55.741 56.400 -0.120 0.000 0.884 32 E CB 0.608 30.213 29.700 -0.158 0.000 1.106 32 E HN 0.179 nan 8.360 nan 0.000 0.408 33 N N 0.172 118.665 118.700 -0.345 0.000 3.308 33 N HA 0.339 5.099 4.740 0.034 0.000 0.276 33 N C -1.958 173.146 175.510 -0.676 0.000 1.533 33 N CA -0.567 52.233 53.050 -0.416 0.000 0.878 33 N CB 0.830 39.261 38.487 -0.093 0.000 1.566 33 N HN 0.209 nan 8.380 nan 0.000 0.546 34 F N 1.026 120.988 119.950 0.021 0.000 2.499 34 F HA 0.381 4.924 4.527 0.026 0.000 0.333 34 F C 0.681 176.479 175.800 -0.004 0.000 1.138 34 F CA -0.881 57.122 58.000 0.004 0.000 0.945 34 F CB 1.213 40.207 39.000 -0.009 0.000 1.181 34 F HN 0.163 nan 8.300 nan 0.000 0.435 35 V N 0.346 120.352 119.914 0.153 0.000 3.133 35 V HA 0.653 4.794 4.120 0.034 0.000 0.305 35 V C 0.419 176.558 176.094 0.075 0.000 1.084 35 V CA -0.791 61.559 62.300 0.084 0.000 1.089 35 V CB 1.142 32.996 31.823 0.051 0.000 1.073 35 V HN 0.839 nan 8.190 nan 0.000 0.477 36 S N 2.540 118.264 115.700 0.040 0.000 2.600 36 S HA 0.322 4.812 4.470 0.034 0.000 0.265 36 S C 0.927 175.542 174.600 0.025 0.000 1.325 36 S CA -0.104 58.113 58.200 0.027 0.000 1.002 36 S CB 0.668 63.876 63.200 0.013 0.000 0.921 36 S HN 0.767 nan 8.310 nan 0.000 0.554 37 R N 0.999 121.512 120.500 0.021 0.000 2.105 37 R HA -0.096 4.264 4.340 0.034 0.000 0.239 37 R C 2.591 178.899 176.300 0.013 0.000 1.135 37 R CA 1.417 57.528 56.100 0.018 0.000 0.967 37 R CB -1.018 29.291 30.300 0.015 0.000 0.861 37 R HN 0.835 nan 8.270 nan 0.000 0.442 38 A N 0.622 123.447 122.820 0.007 0.000 1.908 38 A HA -0.131 4.210 4.320 0.034 0.000 0.218 38 A C 2.344 179.924 177.584 -0.007 0.000 1.181 38 A CA 1.446 53.483 52.037 -0.001 0.000 0.627 38 A CB -0.551 18.446 19.000 -0.005 0.000 0.818 38 A HN 0.126 nan 8.150 nan 0.000 0.445 39 V N -0.092 119.816 119.914 -0.010 0.000 2.295 39 V HA -0.332 3.808 4.120 0.034 0.000 0.246 39 V C 2.661 178.751 176.094 -0.007 0.000 1.049 39 V CA 2.312 64.599 62.300 -0.021 0.000 1.024 39 V CB -0.667 31.143 31.823 -0.022 0.000 0.648 39 V HN 0.585 nan 8.190 nan 0.000 0.447 40 M N -0.746 118.860 119.600 0.010 0.000 2.108 40 M HA -0.231 4.269 4.480 0.034 0.000 0.261 40 M C 2.216 178.530 176.300 0.023 0.000 1.066 40 M CA 1.951 57.264 55.300 0.021 0.000 1.107 40 M CB -0.555 32.063 32.600 0.031 0.000 1.356 40 M HN 0.385 nan 8.290 nan 0.000 0.406 41 E N 0.333 120.543 120.200 0.017 0.000 2.077 41 E HA -0.180 4.191 4.350 0.034 0.000 0.193 41 E C 2.092 178.702 176.600 0.016 0.000 0.989 41 E CA 1.269 57.679 56.400 0.017 0.000 0.800 41 E CB -0.181 29.526 29.700 0.012 0.000 0.746 41 E HN 0.518 nan 8.360 nan 0.000 0.452 42 A N 1.426 124.252 122.820 0.009 0.000 1.883 42 A HA -0.267 4.074 4.320 0.034 0.000 0.217 42 A C 2.071 179.682 177.584 0.046 0.000 1.186 42 A CA 1.461 53.505 52.037 0.012 0.000 0.624 42 A CB -0.491 18.500 19.000 -0.015 0.000 0.822 42 A HN 0.197 nan 8.150 nan 0.000 0.444 43 Q N -1.044 118.783 119.800 0.046 0.000 2.170 43 Q HA -0.109 4.251 4.340 0.034 0.000 0.203 43 Q C 1.737 177.816 176.000 0.131 0.000 0.976 43 Q CA 1.111 56.977 55.803 0.105 0.000 0.858 43 Q CB -0.327 28.448 28.738 0.062 0.000 0.907 43 Q HN 0.665 nan 8.270 nan 0.000 0.433 44 G N 1.052 109.889 108.800 0.060 0.000 3.314 44 G HA2 0.047 4.027 3.960 0.034 0.000 0.238 44 G HA3 0.047 4.027 3.960 0.034 0.000 0.238 44 G C 0.325 175.223 174.900 -0.004 0.000 1.184 44 G CA 0.046 45.161 45.100 0.026 0.000 0.806 44 G HN 0.265 nan 8.290 nan 0.000 0.536 45 S N -0.765 114.938 115.700 0.006 0.000 2.681 45 S HA 0.280 4.770 4.470 0.034 0.000 0.270 45 S C 1.595 176.161 174.600 -0.056 0.000 1.209 45 S CA 0.053 58.245 58.200 -0.013 0.000 0.988 45 S CB 1.487 64.695 63.200 0.013 0.000 1.006 45 S HN 0.542 nan 8.310 nan 0.000 0.558 46 V N -0.812 119.072 119.914 -0.049 0.000 3.241 46 V HA 0.027 4.168 4.120 0.034 0.000 0.269 46 V C 1.695 177.758 176.094 -0.053 0.000 1.151 46 V CA 0.866 63.128 62.300 -0.064 0.000 1.158 46 V CB -1.403 30.391 31.823 -0.048 0.000 0.764 46 V HN 0.679 nan 8.190 nan 0.000 0.508 47 L N 0.995 122.207 121.223 -0.018 0.000 2.353 47 L HA -0.090 4.270 4.340 0.034 0.000 0.220 47 L C 2.741 179.614 176.870 0.005 0.000 1.133 47 L CA 2.281 57.140 54.840 0.031 0.000 0.798 47 L CB -1.392 40.724 42.059 0.094 0.000 0.922 47 L HN 0.528 nan 8.230 nan 0.000 0.445 48 T N -1.041 113.377 114.554 -0.227 0.000 2.929 48 T HA -0.175 4.195 4.350 0.034 0.000 0.271 48 T C 1.536 176.143 174.700 -0.155 0.000 1.085 48 T CA 1.672 63.505 62.100 -0.444 0.000 1.125 48 T CB -0.406 67.986 68.868 -0.794 0.000 0.874 48 T HN 0.532 nan 8.240 nan 0.000 0.494 49 N N -0.078 118.565 118.700 -0.096 0.000 2.515 49 N HA 0.050 4.810 4.740 0.034 0.000 0.185 49 N C 0.274 175.783 175.510 -0.002 0.000 1.109 49 N CA 0.137 53.155 53.050 -0.053 0.000 0.903 49 N CB 0.190 38.647 38.487 -0.049 0.000 0.969 49 N HN 0.114 nan 8.380 nan 0.000 0.450 50 K N 1.014 121.432 120.400 0.030 0.000 2.263 50 K HA 0.175 4.515 4.320 0.034 0.000 0.272 50 K C -1.313 175.357 176.600 0.117 0.000 1.033 50 K CA -0.572 55.754 56.287 0.064 0.000 0.884 50 K CB 0.212 32.744 32.500 0.054 0.000 1.107 50 K HN -0.165 nan 8.250 nan 0.000 0.460 51 F N 3.662 123.558 119.950 -0.089 0.000 2.438 51 F HA 0.450 4.995 4.527 0.030 0.000 0.356 51 F C 0.096 175.825 175.800 -0.118 0.000 1.099 51 F CA -0.689 57.218 58.000 -0.154 0.000 1.185 51 F CB 0.842 39.673 39.000 -0.281 0.000 1.115 51 F HN 0.625 nan 8.300 nan 0.000 0.526 52 A N 5.296 127.871 122.820 -0.408 0.000 2.843 52 A HA 0.236 4.576 4.320 0.034 0.000 0.248 52 A C 0.065 177.339 177.584 -0.517 0.000 0.904 52 A CA -0.497 51.318 52.037 -0.370 0.000 1.091 52 A CB -0.590 18.305 19.000 -0.176 0.000 1.208 52 A HN 0.712 nan 8.150 nan 0.000 0.476 53 E N 0.387 120.076 120.200 -0.852 0.000 2.502 53 E HA 0.330 4.700 4.350 0.034 0.000 0.261 53 E C 0.984 177.278 176.600 -0.511 0.000 0.974 53 E CA 1.595 57.478 56.400 -0.862 0.000 0.936 53 E CB 0.486 29.690 29.700 -0.827 0.000 0.926 53 E HN 1.077 nan 8.360 nan 0.000 0.459 54 G N 1.899 110.290 108.800 -0.682 0.000 2.428 54 G HA2 -0.206 3.774 3.960 0.034 0.000 0.202 54 G HA3 -0.206 3.774 3.960 0.034 0.000 0.202 54 G C -1.508 173.039 174.900 -0.588 0.000 1.247 54 G CA -0.716 44.245 45.100 -0.232 0.000 1.020 54 G HN 0.446 nan 8.290 nan 0.000 0.529 55 Y N -0.159 120.115 120.300 -0.044 0.000 2.634 55 Y HA 0.615 5.186 4.550 0.035 0.000 0.340 55 Y C -2.032 173.835 175.900 -0.054 0.000 1.058 55 Y CA -1.892 56.196 58.100 -0.019 0.000 1.081 55 Y CB 1.968 40.456 38.460 0.047 0.000 1.295 55 Y HN 0.420 nan 8.280 nan 0.000 0.487 56 P HA 0.060 nan 4.420 nan 0.000 0.261 56 P C 0.563 177.879 177.300 0.027 0.000 1.183 56 P CA 1.973 65.102 63.100 0.048 0.000 0.761 56 P CB 0.227 31.966 31.700 0.065 0.000 0.785 57 G N 3.210 111.995 108.800 -0.024 0.000 2.189 57 G HA2 -0.272 3.709 3.960 0.034 0.000 0.267 57 G HA3 -0.272 3.709 3.960 0.034 0.000 0.267 57 G C 0.524 175.386 174.900 -0.063 0.000 0.975 57 G CA -0.202 44.874 45.100 -0.041 0.000 0.644 57 G HN 0.553 nan 8.290 nan 0.000 0.537 58 R N -0.066 120.388 120.500 -0.076 0.000 2.648 58 R HA 0.239 4.599 4.340 0.034 0.000 0.341 58 R C 0.369 176.486 176.300 -0.304 0.000 1.154 58 R CA -0.469 55.544 56.100 -0.146 0.000 1.228 58 R CB 0.332 30.607 30.300 -0.041 0.000 1.311 58 R HN 0.263 nan 8.270 nan 0.000 0.659 59 R N -0.028 120.292 120.500 -0.300 0.000 2.528 59 R HA 0.248 4.609 4.340 0.034 0.000 0.271 59 R C 0.539 176.539 176.300 -0.501 0.000 1.056 59 R CA -0.340 55.553 56.100 -0.345 0.000 1.117 59 R CB 0.538 30.726 30.300 -0.188 0.000 1.085 59 R HN 0.138 nan 8.270 nan 0.000 0.530 60 Y N -0.359 119.858 120.300 -0.138 0.000 2.466 60 Y HA 0.166 4.735 4.550 0.033 0.000 0.272 60 Y C -0.134 175.359 175.900 -0.677 0.000 1.169 60 Y CA 0.199 58.118 58.100 -0.302 0.000 1.285 60 Y CB 0.266 38.596 38.460 -0.218 0.000 1.078 60 Y HN 0.406 nan 8.280 nan 0.000 0.523 61 Y N -0.946 119.308 120.300 -0.077 0.000 2.524 61 Y HA 0.598 5.170 4.550 0.036 0.000 0.347 61 Y C 0.768 176.627 175.900 -0.069 0.000 1.005 61 Y CA -1.827 56.241 58.100 -0.054 0.000 1.025 61 Y CB 1.193 39.604 38.460 -0.082 0.000 1.275 61 Y HN -0.103 nan 8.280 nan 0.000 0.460 62 G N -0.060 108.793 108.800 0.088 0.000 2.653 62 G HA2 0.402 4.382 3.960 0.034 0.000 0.265 62 G HA3 0.402 4.382 3.960 0.034 0.000 0.265 62 G C 0.828 175.742 174.900 0.023 0.000 1.237 62 G CA -0.095 45.019 45.100 0.023 0.000 0.946 62 G HN 1.456 nan 8.290 nan 0.000 0.522 63 G N -2.464 106.323 108.800 -0.022 0.000 2.148 63 G HA2 -0.294 3.686 3.960 0.034 0.000 0.254 63 G HA3 -0.294 3.686 3.960 0.034 0.000 0.254 63 G C 0.920 175.779 174.900 -0.070 0.000 0.981 63 G CA 0.608 45.688 45.100 -0.033 0.000 0.670 63 G HN 0.948 nan 8.290 nan 0.000 0.528 64 C N 0.506 119.750 119.300 -0.093 0.000 2.625 64 C HA 0.349 4.830 4.460 0.034 0.000 0.285 64 C C 2.255 177.145 174.990 -0.168 0.000 1.279 64 C CA 0.419 59.378 59.018 -0.098 0.000 1.698 64 C CB -0.654 27.036 27.740 -0.085 0.000 1.821 64 C HN 0.632 nan 8.230 nan 0.000 0.600 65 E N 0.736 120.742 120.200 -0.325 0.000 2.130 65 E HA -0.206 4.165 4.350 0.034 0.000 0.196 65 E C 1.192 177.545 176.600 -0.411 0.000 0.998 65 E CA 1.849 57.972 56.400 -0.462 0.000 0.806 65 E CB -0.213 29.034 29.700 -0.755 0.000 0.738 65 E HN 0.811 nan 8.360 nan 0.000 0.459 66 Y N -0.990 119.308 120.300 -0.003 0.000 2.389 66 Y HA -0.025 4.545 4.550 0.033 0.000 0.292 66 Y C 2.296 178.194 175.900 -0.002 0.000 1.117 66 Y CA 0.350 58.449 58.100 -0.002 0.000 1.195 66 Y CB -0.225 38.235 38.460 -0.001 0.000 1.076 66 Y HN 0.001 nan 8.280 nan 0.000 0.548 67 V N -1.762 118.214 119.914 0.104 0.000 2.594 67 V HA -0.203 3.937 4.120 0.034 0.000 0.253 67 V C 1.328 177.437 176.094 0.024 0.000 1.069 67 V CA 2.005 64.338 62.300 0.055 0.000 1.082 67 V CB -0.482 31.360 31.823 0.031 0.000 0.680 67 V HN 0.190 nan 8.190 nan 0.000 0.469 68 D N 1.024 121.423 120.400 -0.000 0.000 2.117 68 D HA -0.090 4.570 4.640 0.034 0.000 0.197 68 D C 2.047 178.362 176.300 0.025 0.000 0.987 68 D CA 1.971 55.970 54.000 -0.002 0.000 0.829 68 D CB -0.290 40.490 40.800 -0.033 0.000 0.961 68 D HN 0.537 nan 8.370 nan 0.000 0.460 69 I N 0.140 120.736 120.570 0.044 0.000 2.226 69 I HA -0.231 3.960 4.170 0.034 0.000 0.245 69 I C 2.366 178.514 176.117 0.051 0.000 1.100 69 I CA 0.572 61.907 61.300 0.059 0.000 1.374 69 I CB -0.145 37.912 38.000 0.095 0.000 1.057 69 I HN -0.094 nan 8.210 nan 0.000 0.413 70 V N 0.666 120.611 119.914 0.052 0.000 2.261 70 V HA -0.321 3.820 4.120 0.034 0.000 0.246 70 V C 2.497 178.608 176.094 0.028 0.000 1.047 70 V CA 2.269 64.589 62.300 0.034 0.000 1.015 70 V CB -0.620 31.221 31.823 0.031 0.000 0.642 70 V HN 0.485 nan 8.190 nan 0.000 0.446 71 E N -0.345 119.873 120.200 0.030 0.000 2.110 71 E HA -0.241 4.129 4.350 0.034 0.000 0.193 71 E C 2.248 178.883 176.600 0.058 0.000 0.988 71 E CA 1.240 57.663 56.400 0.039 0.000 0.804 71 E CB -0.014 29.708 29.700 0.036 0.000 0.745 71 E HN 0.538 nan 8.360 nan 0.000 0.458 72 E N 0.442 120.674 120.200 0.054 0.000 2.106 72 E HA -0.162 4.208 4.350 0.034 0.000 0.192 72 E C 2.298 178.933 176.600 0.059 0.000 0.984 72 E CA 0.647 57.080 56.400 0.056 0.000 0.806 72 E CB -0.156 29.572 29.700 0.047 0.000 0.750 72 E HN 0.393 nan 8.360 nan 0.000 0.458 73 L N 0.472 121.728 121.223 0.055 0.000 2.042 73 L HA -0.206 4.154 4.340 0.034 0.000 0.210 73 L C 2.574 179.504 176.870 0.099 0.000 1.076 73 L CA 1.289 56.165 54.840 0.060 0.000 0.749 73 L CB -0.542 41.542 42.059 0.041 0.000 0.893 73 L HN 0.069 nan 8.230 nan 0.000 0.432 74 A N 0.054 122.935 122.820 0.102 0.000 1.877 74 A HA -0.207 4.134 4.320 0.034 0.000 0.216 74 A C 2.395 180.149 177.584 0.284 0.000 1.186 74 A CA 1.553 53.712 52.037 0.203 0.000 0.620 74 A CB -0.469 18.590 19.000 0.098 0.000 0.822 74 A HN 0.323 nan 8.150 nan 0.000 0.443 75 R N -0.655 119.933 120.500 0.148 0.000 2.073 75 R HA -0.094 4.266 4.340 0.034 0.000 0.234 75 R C 2.086 178.417 176.300 0.051 0.000 1.134 75 R CA 1.335 57.481 56.100 0.077 0.000 0.952 75 R CB -0.348 29.966 30.300 0.023 0.000 0.850 75 R HN 0.476 nan 8.270 nan 0.000 0.433 76 E N 0.728 120.962 120.200 0.058 0.000 2.072 76 E HA -0.149 4.221 4.350 0.034 0.000 0.191 76 E C 2.049 178.667 176.600 0.031 0.000 0.985 76 E CA 1.128 57.550 56.400 0.037 0.000 0.801 76 E CB -0.103 29.619 29.700 0.037 0.000 0.750 76 E HN 0.301 nan 8.360 nan 0.000 0.452 77 R N 0.515 121.058 120.500 0.072 0.000 2.092 77 R HA -0.025 4.335 4.340 0.034 0.000 0.231 77 R C 2.350 178.617 176.300 -0.056 0.000 1.119 77 R CA 1.180 57.314 56.100 0.058 0.000 0.970 77 R CB -0.304 30.099 30.300 0.173 0.000 0.864 77 R HN 0.104 nan 8.270 nan 0.000 0.440 78 A N 1.478 124.244 122.820 -0.089 0.000 1.902 78 A HA -0.197 4.143 4.320 0.034 0.000 0.217 78 A C 1.875 179.413 177.584 -0.077 0.000 1.181 78 A CA 1.434 53.292 52.037 -0.298 0.000 0.623 78 A CB -0.230 18.593 19.000 -0.294 0.000 0.818 78 A HN 0.194 nan 8.150 nan 0.000 0.443 79 K N -0.771 119.607 120.400 -0.037 0.000 2.057 79 K HA -0.169 4.171 4.320 0.034 0.000 0.206 79 K C 2.396 178.981 176.600 -0.025 0.000 1.050 79 K CA 1.510 57.794 56.287 -0.004 0.000 0.935 79 K CB -0.172 32.329 32.500 0.000 0.000 0.715 79 K HN 0.641 nan 8.250 nan 0.000 0.439 80 Q N 0.621 120.389 119.800 -0.054 0.000 2.050 80 Q HA -0.183 4.177 4.340 0.034 0.000 0.202 80 Q C 2.075 177.988 176.000 -0.146 0.000 0.980 80 Q CA 1.187 56.946 55.803 -0.073 0.000 0.840 80 Q CB 0.008 28.711 28.738 -0.058 0.000 0.898 80 Q HN 0.146 nan 8.270 nan 0.000 0.424 81 L N -0.581 120.480 121.223 -0.270 0.000 2.083 81 L HA -0.115 4.245 4.340 0.034 0.000 0.209 81 L C 1.256 177.726 176.870 -0.667 0.000 1.083 81 L CA 1.768 56.278 54.840 -0.549 0.000 0.752 81 L CB -0.214 41.329 42.059 -0.859 0.000 0.899 81 L HN 0.244 nan 8.230 nan 0.000 0.433 82 F N -1.035 118.849 119.950 -0.111 0.000 2.682 82 F HA 0.411 4.957 4.527 0.031 0.000 0.308 82 F C 1.690 177.456 175.800 -0.057 0.000 1.093 82 F CA 0.126 58.076 58.000 -0.085 0.000 1.244 82 F CB -0.406 38.521 39.000 -0.122 0.000 1.052 82 F HN 0.061 nan 8.300 nan 0.000 0.573 83 G N 1.469 110.305 108.800 0.061 0.000 2.305 83 G HA2 -0.105 3.875 3.960 0.034 0.000 0.287 83 G HA3 -0.105 3.875 3.960 0.034 0.000 0.287 83 G C 0.266 175.191 174.900 0.042 0.000 1.036 83 G CA 0.165 45.286 45.100 0.035 0.000 0.887 83 G HN 0.659 nan 8.290 nan 0.000 0.505 84 A N -0.980 121.876 122.820 0.059 0.000 2.293 84 A HA 0.785 5.125 4.320 0.034 0.000 0.302 84 A C 1.015 178.623 177.584 0.040 0.000 1.119 84 A CA 0.320 52.383 52.037 0.043 0.000 0.823 84 A CB 0.704 19.729 19.000 0.040 0.000 1.097 84 A HN 0.379 nan 8.150 nan 0.000 0.491 85 E N -0.702 119.529 120.200 0.052 0.000 2.230 85 E HA -0.017 4.353 4.350 0.034 0.000 0.192 85 E C -0.272 176.405 176.600 0.128 0.000 0.987 85 E CA 0.820 57.258 56.400 0.064 0.000 0.841 85 E CB 0.104 29.831 29.700 0.045 0.000 0.783 85 E HN 0.726 nan 8.360 nan 0.000 0.481 86 H N -0.962 118.120 119.070 0.020 0.000 2.894 86 H HA 0.562 5.139 4.556 0.035 0.000 0.367 86 H C -1.739 173.609 175.328 0.033 0.000 1.144 86 H CA -0.617 55.446 56.048 0.026 0.000 1.180 86 H CB 1.672 31.453 29.762 0.032 0.000 1.758 86 H HN -0.013 nan 8.280 nan 0.000 0.541 87 A N 4.003 126.477 122.820 -0.577 0.000 2.386 87 A HA 0.449 4.789 4.320 0.034 0.000 0.311 87 A C -1.109 176.174 177.584 -0.502 0.000 1.068 87 A CA -0.865 50.953 52.037 -0.364 0.000 0.743 87 A CB 1.229 20.137 19.000 -0.154 0.000 1.258 87 A HN 0.717 nan 8.150 nan 0.000 0.429 88 N N 2.016 120.609 118.700 -0.177 0.000 2.479 88 N HA 0.311 5.072 4.740 0.034 0.000 0.261 88 N C 0.094 175.638 175.510 0.057 0.000 0.979 88 N CA -0.159 52.887 53.050 -0.006 0.000 0.930 88 N CB 1.893 40.446 38.487 0.109 0.000 1.172 88 N HN 0.703 nan 8.380 nan 0.000 0.499 89 V N 1.329 121.300 119.914 0.094 0.000 3.542 89 V HA 0.209 4.349 4.120 0.034 0.000 0.296 89 V C 1.314 177.448 176.094 0.068 0.000 1.364 89 V CA 0.308 62.675 62.300 0.112 0.000 1.118 89 V CB -0.066 31.850 31.823 0.154 0.000 0.972 89 V HN 0.536 nan 8.190 nan 0.000 0.430 90 Q N 0.697 120.533 119.800 0.060 0.000 2.389 90 Q HA 0.158 4.518 4.340 0.034 0.000 0.204 90 Q C -1.550 174.392 176.000 -0.097 0.000 0.944 90 Q CA -0.323 55.470 55.803 -0.017 0.000 0.908 90 Q CB -0.876 27.843 28.738 -0.032 0.000 1.002 90 Q HN 0.560 nan 8.270 nan 0.000 0.493 91 P HA -0.093 nan 4.420 nan 0.000 0.264 91 P C -0.069 177.196 177.300 -0.059 0.000 1.193 91 P CA 0.516 63.552 63.100 -0.106 0.000 0.763 91 P CB 0.440 32.121 31.700 -0.031 0.000 0.810 92 H N 0.411 119.479 119.070 -0.003 0.000 2.491 92 H HA 0.018 4.594 4.556 0.034 0.000 0.290 92 H C 0.971 176.295 175.328 -0.006 0.000 1.050 92 H CA 1.108 57.145 56.048 -0.017 0.000 1.309 92 H CB 0.064 29.812 29.762 -0.023 0.000 1.392 92 H HN 0.495 nan 8.280 nan 0.000 0.554 93 S N -2.684 113.087 115.700 0.118 0.000 2.611 93 S HA 0.406 4.897 4.470 0.034 0.000 0.268 93 S C 1.272 175.919 174.600 0.079 0.000 1.156 93 S CA -0.374 57.890 58.200 0.105 0.000 0.817 93 S CB 1.164 64.424 63.200 0.099 0.000 1.122 93 S HN 0.095 nan 8.310 nan 0.000 0.466 94 G N 0.767 109.619 108.800 0.087 0.000 2.422 94 G HA2 0.097 4.078 3.960 0.034 0.000 0.218 94 G HA3 0.097 4.078 3.960 0.034 0.000 0.218 94 G C 1.521 176.452 174.900 0.052 0.000 1.146 94 G CA 1.149 46.267 45.100 0.029 0.000 0.769 94 G HN 1.361 nan 8.290 nan 0.000 0.547 95 A N 0.310 123.194 122.820 0.107 0.000 1.883 95 A HA -0.138 4.202 4.320 0.034 0.000 0.217 95 A C 2.379 180.017 177.584 0.090 0.000 1.186 95 A CA 2.256 54.397 52.037 0.173 0.000 0.624 95 A CB -0.468 18.648 19.000 0.195 0.000 0.822 95 A HN 0.346 nan 8.150 nan 0.000 0.444 96 Q N -0.501 119.314 119.800 0.026 0.000 2.167 96 Q HA 0.061 4.421 4.340 0.034 0.000 0.202 96 Q C 2.286 178.253 176.000 -0.054 0.000 0.970 96 Q CA 1.626 57.404 55.803 -0.042 0.000 0.855 96 Q CB -0.653 28.063 28.738 -0.037 0.000 0.911 96 Q HN 0.661 nan 8.270 nan 0.000 0.438 97 A N 0.790 123.590 122.820 -0.034 0.000 1.877 97 A HA -0.238 4.102 4.320 0.034 0.000 0.216 97 A C 1.814 179.329 177.584 -0.115 0.000 1.186 97 A CA 1.783 53.786 52.037 -0.057 0.000 0.620 97 A CB -0.633 18.342 19.000 -0.041 0.000 0.822 97 A HN 0.345 nan 8.150 nan 0.000 0.443 98 N N -0.540 118.090 118.700 -0.116 0.000 2.084 98 N HA -0.170 4.590 4.740 0.034 0.000 0.190 98 N C 1.743 176.991 175.510 -0.436 0.000 1.030 98 N CA 1.742 54.602 53.050 -0.316 0.000 0.849 98 N CB -0.562 37.837 38.487 -0.147 0.000 1.012 98 N HN 0.633 nan 8.380 nan 0.000 0.423 99 M N 0.637 120.223 119.600 -0.023 0.000 2.106 99 M HA -0.200 4.300 4.480 0.034 0.000 0.259 99 M C 1.831 178.170 176.300 0.065 0.000 1.068 99 M CA 1.881 57.255 55.300 0.123 0.000 1.100 99 M CB -0.040 32.422 32.600 -0.231 0.000 1.351 99 M HN 0.198 nan 8.290 nan 0.000 0.404 100 A N -0.601 122.190 122.820 -0.048 0.000 1.898 100 A HA -0.100 4.241 4.320 0.034 0.000 0.216 100 A C 2.025 179.586 177.584 -0.039 0.000 1.181 100 A CA 1.788 53.822 52.037 -0.006 0.000 0.620 100 A CB -1.067 17.914 19.000 -0.032 0.000 0.819 100 A HN 0.431 nan 8.150 nan 0.000 0.442 101 V N -0.912 118.871 119.914 -0.218 0.000 2.295 101 V HA -0.279 3.861 4.120 0.034 0.000 0.246 101 V C 2.450 178.371 176.094 -0.289 0.000 1.049 101 V CA 1.949 63.990 62.300 -0.432 0.000 1.024 101 V CB -1.142 30.363 31.823 -0.529 0.000 0.648 101 V HN 0.630 nan 8.190 nan 0.000 0.447 102 Y N -0.815 119.416 120.300 -0.115 0.000 2.128 102 Y HA -0.226 4.345 4.550 0.035 0.000 0.284 102 Y C 2.301 178.194 175.900 -0.011 0.000 1.154 102 Y CA 1.055 59.066 58.100 -0.147 0.000 1.149 102 Y CB -1.306 37.156 38.460 0.003 0.000 0.976 102 Y HN 0.279 nan 8.280 nan 0.000 0.505 103 F N 0.639 120.688 119.950 0.166 0.000 2.250 103 F HA -0.209 4.339 4.527 0.035 0.000 0.301 103 F C 2.167 177.969 175.800 0.003 0.000 1.077 103 F CA 1.827 59.903 58.000 0.128 0.000 1.348 103 F CB -0.433 38.621 39.000 0.090 0.000 1.040 103 F HN -0.041 nan 8.300 nan 0.000 0.509 104 T N -0.755 113.768 114.554 -0.053 0.000 2.812 104 T HA -0.084 4.287 4.350 0.034 0.000 0.264 104 T C 1.910 176.454 174.700 -0.260 0.000 1.042 104 T CA 1.848 63.836 62.100 -0.186 0.000 1.140 104 T CB -0.330 68.361 68.868 -0.295 0.000 0.870 104 T HN 0.241 nan 8.240 nan 0.000 0.445 105 V N -1.926 117.792 119.914 -0.327 0.000 3.645 105 V HA 0.493 4.634 4.120 0.034 0.000 0.275 105 V C 0.366 176.353 176.094 -0.178 0.000 1.356 105 V CA -0.197 61.899 62.300 -0.340 0.000 1.051 105 V CB -0.375 31.034 31.823 -0.689 0.000 0.828 105 V HN 0.212 nan 8.190 nan 0.000 0.441 106 L N 2.028 123.159 121.223 -0.153 0.000 2.334 106 L HA 0.680 5.041 4.340 0.034 0.000 0.273 106 L C -0.042 176.866 176.870 0.062 0.000 1.013 106 L CA -0.657 54.133 54.840 -0.082 0.000 0.816 106 L CB 1.926 43.802 42.059 -0.306 0.000 1.278 106 L HN 0.403 nan 8.230 nan 0.000 0.431 107 E N 0.660 120.924 120.200 0.107 0.000 2.227 107 E HA 0.222 4.593 4.350 0.034 0.000 0.268 107 E C -0.344 176.415 176.600 0.265 0.000 0.990 107 E CA -0.818 55.674 56.400 0.154 0.000 0.856 107 E CB 1.180 30.929 29.700 0.083 0.000 1.159 107 E HN 0.535 nan 8.360 nan 0.000 0.401 108 H N 0.937 120.075 119.070 0.113 0.000 3.167 108 H HA -0.038 4.538 4.556 0.034 0.000 0.306 108 H C 0.952 176.304 175.328 0.040 0.000 0.965 108 H CA 2.222 58.275 56.048 0.008 0.000 1.408 108 H CB 0.201 29.948 29.762 -0.024 0.000 1.406 108 H HN 0.954 nan 8.280 nan 0.000 0.576 109 G N 4.454 112.968 108.800 -0.476 0.000 2.195 109 G HA2 -0.255 3.726 3.960 0.034 0.000 0.246 109 G HA3 -0.255 3.726 3.960 0.034 0.000 0.246 109 G C 0.069 174.916 174.900 -0.089 0.000 0.984 109 G CA 0.246 45.146 45.100 -0.333 0.000 0.633 109 G HN 0.695 nan 8.290 nan 0.000 0.525 110 D N 1.416 121.829 120.400 0.022 0.000 2.423 110 D HA 0.414 5.074 4.640 0.034 0.000 0.238 110 D C 0.872 177.117 176.300 -0.090 0.000 1.142 110 D CA 0.805 54.796 54.000 -0.014 0.000 0.884 110 D CB 0.676 41.469 40.800 -0.013 0.000 1.199 110 D HN 0.128 nan 8.370 nan 0.000 0.438 111 T N 1.242 115.722 114.554 -0.123 0.000 2.832 111 T HA 0.405 4.776 4.350 0.034 0.000 0.296 111 T C 0.045 174.553 174.700 -0.319 0.000 0.968 111 T CA -0.499 61.486 62.100 -0.192 0.000 1.107 111 T CB 0.756 69.563 68.868 -0.102 0.000 0.916 111 T HN -0.001 nan 8.240 nan 0.000 0.517 112 V N 3.983 123.560 119.914 -0.562 0.000 2.789 112 V HA 0.552 4.693 4.120 0.034 0.000 0.311 112 V C -0.784 174.977 176.094 -0.555 0.000 1.073 112 V CA -1.047 60.806 62.300 -0.745 0.000 0.921 112 V CB 2.045 32.930 31.823 -1.563 0.000 1.009 112 V HN 0.656 nan 8.190 nan 0.000 0.426 113 L N 3.486 124.576 121.223 -0.223 0.000 2.298 113 L HA 0.956 5.316 4.340 0.034 0.000 0.284 113 L C 0.194 177.175 176.870 0.185 0.000 1.013 113 L CA 0.433 55.289 54.840 0.027 0.000 0.824 113 L CB 0.955 43.104 42.059 0.150 0.000 1.221 113 L HN 0.817 nan 8.230 nan 0.000 0.418 114 G N 3.967 112.871 108.800 0.173 0.000 2.730 114 G HA2 0.453 4.433 3.960 0.034 0.000 0.289 114 G HA3 0.453 4.433 3.960 0.034 0.000 0.289 114 G C -1.186 173.381 174.900 -0.556 0.000 1.341 114 G CA -0.963 44.186 45.100 0.081 0.000 0.932 114 G HN 0.664 nan 8.290 nan 0.000 0.481 115 M N 1.652 120.851 119.600 -0.668 0.000 2.219 115 M HA 0.158 4.659 4.480 0.034 0.000 0.353 115 M C 0.589 176.589 176.300 -0.500 0.000 1.304 115 M CA -0.637 54.077 55.300 -0.978 0.000 1.115 115 M CB 0.411 32.788 32.600 -0.372 0.000 1.664 115 M HN 0.585 nan 8.290 nan 0.000 0.459 116 N N 4.497 122.873 118.700 -0.539 0.000 2.294 116 N HA -0.090 4.670 4.740 0.034 0.000 0.263 116 N C 0.682 176.015 175.510 -0.296 0.000 1.281 116 N CA 0.374 53.155 53.050 -0.448 0.000 0.846 116 N CB 0.454 38.468 38.487 -0.787 0.000 1.061 116 N HN 0.802 nan 8.380 nan 0.000 0.478 117 L N 2.493 123.573 121.223 -0.238 0.000 2.131 117 L HA -0.177 4.183 4.340 0.034 0.000 0.210 117 L C 2.077 178.862 176.870 -0.141 0.000 1.092 117 L CA 1.356 56.088 54.840 -0.179 0.000 0.759 117 L CB -0.678 41.263 42.059 -0.196 0.000 0.903 117 L HN 0.622 nan 8.230 nan 0.000 0.435 118 S N -2.539 113.074 115.700 -0.145 0.000 2.593 118 S HA -0.053 4.437 4.470 0.034 0.000 0.217 118 S C 1.270 175.922 174.600 0.086 0.000 0.966 118 S CA -0.012 58.154 58.200 -0.058 0.000 0.914 118 S CB -0.457 62.706 63.200 -0.061 0.000 0.776 118 S HN 0.553 nan 8.310 nan 0.000 0.523 119 H N -0.302 118.667 119.070 -0.168 0.000 2.755 119 H HA 0.387 4.963 4.556 0.034 0.000 0.273 119 H C 1.450 176.745 175.328 -0.055 0.000 1.055 119 H CA -0.028 55.941 56.048 -0.132 0.000 1.191 119 H CB 0.823 30.494 29.762 -0.151 0.000 1.536 119 H HN 0.595 nan 8.280 nan 0.000 0.529 120 G N 0.609 109.437 108.800 0.047 0.000 2.613 120 G HA2 -0.178 3.802 3.960 0.034 0.000 0.199 120 G HA3 -0.178 3.802 3.960 0.034 0.000 0.199 120 G C 0.680 175.593 174.900 0.021 0.000 0.991 120 G CA -0.353 44.773 45.100 0.042 0.000 0.756 120 G HN 0.507 nan 8.290 nan 0.000 0.515 121 G N -0.299 108.492 108.800 -0.015 0.000 2.594 121 G HA2 0.455 4.436 3.960 0.034 0.000 0.243 121 G HA3 0.455 4.436 3.960 0.034 0.000 0.243 121 G C -0.200 174.667 174.900 -0.055 0.000 1.229 121 G CA 0.077 45.197 45.100 0.033 0.000 0.843 121 G HN 0.441 nan 8.290 nan 0.000 0.578 122 H N 0.969 119.817 119.070 -0.370 0.000 2.488 122 H HA 0.124 4.701 4.556 0.034 0.000 0.347 122 H C 1.475 176.545 175.328 -0.430 0.000 1.174 122 H CA -0.879 54.849 56.048 -0.533 0.000 1.307 122 H CB 1.657 30.887 29.762 -0.886 0.000 1.517 122 H HN 0.319 nan 8.280 nan 0.000 0.554 123 L N 3.106 123.721 121.223 -1.012 0.000 2.064 123 L HA -0.252 4.108 4.340 0.034 0.000 0.216 123 L C 2.340 178.925 176.870 -0.476 0.000 1.077 123 L CA 2.687 57.110 54.840 -0.694 0.000 0.766 123 L CB -0.752 40.890 42.059 -0.695 0.000 0.890 123 L HN 0.853 nan 8.230 nan 0.000 0.435 124 T N -4.954 109.398 114.554 -0.338 0.000 3.148 124 T HA -0.044 4.327 4.350 0.034 0.000 0.253 124 T C 0.970 175.714 174.700 0.073 0.000 1.134 124 T CA 0.663 62.752 62.100 -0.019 0.000 1.051 124 T CB -0.931 68.138 68.868 0.335 0.000 0.959 124 T HN 0.631 nan 8.240 nan 0.000 0.525 125 H N 0.508 119.457 119.070 -0.201 0.000 2.550 125 H HA 0.486 5.062 4.556 0.034 0.000 0.304 125 H C 1.452 176.198 175.328 -0.969 0.000 1.086 125 H CA -0.416 55.457 56.048 -0.290 0.000 1.089 125 H CB 0.121 29.859 29.762 -0.039 0.000 1.528 125 H HN 0.529 nan 8.280 nan 0.000 0.539 126 G N 0.876 108.931 108.800 -1.241 0.000 2.164 126 G HA2 -0.278 3.702 3.960 0.034 0.000 0.154 126 G HA3 -0.278 3.702 3.960 0.034 0.000 0.154 126 G C 0.240 174.785 174.900 -0.591 0.000 1.014 126 G CA -0.024 44.210 45.100 -1.443 0.000 0.683 126 G HN 0.378 nan 8.290 nan 0.000 0.500 127 S N 1.348 116.781 115.700 -0.444 0.000 2.552 127 S HA 0.381 4.871 4.470 0.034 0.000 0.289 127 S C -0.023 174.447 174.600 -0.216 0.000 1.304 127 S CA 0.126 58.158 58.200 -0.280 0.000 1.063 127 S CB 1.105 64.157 63.200 -0.247 0.000 0.848 127 S HN 0.181 nan 8.310 nan 0.000 0.499 128 P HA 0.009 nan 4.420 nan 0.000 0.237 128 P C 0.934 178.198 177.300 -0.061 0.000 1.178 128 P CA 0.606 63.654 63.100 -0.088 0.000 0.766 128 P CB -0.294 31.372 31.700 -0.058 0.000 0.876 129 V N -4.471 115.404 119.914 -0.065 0.000 3.578 129 V HA 0.278 4.419 4.120 0.034 0.000 0.290 129 V C 0.701 176.779 176.094 -0.026 0.000 1.376 129 V CA -0.424 61.859 62.300 -0.030 0.000 1.083 129 V CB -0.870 30.948 31.823 -0.009 0.000 0.911 129 V HN 0.009 nan 8.190 nan 0.000 0.433 130 N N 0.662 119.317 118.700 -0.075 0.000 2.466 130 N HA 0.227 4.987 4.740 0.034 0.000 0.294 130 N C 1.015 176.486 175.510 -0.064 0.000 1.129 130 N CA -0.120 52.895 53.050 -0.058 0.000 0.931 130 N CB 2.094 40.480 38.487 -0.168 0.000 1.193 130 N HN 0.226 nan 8.380 nan 0.000 0.500 131 F N 2.307 122.271 119.950 0.023 0.000 2.192 131 F HA -0.191 4.357 4.527 0.034 0.000 0.301 131 F C 2.256 178.103 175.800 0.078 0.000 1.079 131 F CA 1.509 59.538 58.000 0.049 0.000 1.303 131 F CB -0.994 38.056 39.000 0.084 0.000 1.024 131 F HN 0.450 nan 8.300 nan 0.000 0.494 132 S N 0.462 115.470 115.700 -1.154 0.000 2.356 132 S HA -0.068 4.422 4.470 0.034 0.000 0.223 132 S C 2.286 176.748 174.600 -0.230 0.000 1.032 132 S CA 1.016 58.784 58.200 -0.719 0.000 1.005 132 S CB -1.670 61.039 63.200 -0.819 0.000 0.867 132 S HN 0.565 nan 8.310 nan 0.000 0.449 133 G N 0.362 108.971 108.800 -0.320 0.000 2.511 133 G HA2 0.109 4.089 3.960 0.034 0.000 0.217 133 G HA3 0.109 4.089 3.960 0.034 0.000 0.217 133 G C 1.308 176.180 174.900 -0.046 0.000 1.133 133 G CA 0.618 45.634 45.100 -0.141 0.000 0.792 133 G HN 0.471 nan 8.290 nan 0.000 0.539 134 V N 0.033 119.907 119.914 -0.066 0.000 2.535 134 V HA -0.061 4.079 4.120 0.034 0.000 0.246 134 V C 2.551 178.614 176.094 -0.051 0.000 1.045 134 V CA 1.912 64.196 62.300 -0.026 0.000 1.058 134 V CB 0.392 32.223 31.823 0.014 0.000 0.689 134 V HN 0.425 nan 8.190 nan 0.000 0.461 135 Q N -0.778 118.939 119.800 -0.140 0.000 2.250 135 Q HA 0.053 4.413 4.340 0.034 0.000 0.200 135 Q C -0.138 175.457 176.000 -0.674 0.000 0.941 135 Q CA 1.030 56.610 55.803 -0.371 0.000 0.872 135 Q CB 0.219 28.627 28.738 -0.550 0.000 0.965 135 Q HN 0.636 nan 8.270 nan 0.000 0.480 136 Y N -0.772 119.519 120.300 -0.016 0.000 2.570 136 Y HA 0.398 4.968 4.550 0.033 0.000 0.345 136 Y C -0.614 175.257 175.900 -0.049 0.000 1.014 136 Y CA -1.885 56.158 58.100 -0.094 0.000 1.063 136 Y CB 0.901 39.269 38.460 -0.154 0.000 1.272 136 Y HN -0.156 nan 8.280 nan 0.000 0.477 137 N N 1.436 120.141 118.700 0.009 0.000 2.555 137 N HA 0.220 4.980 4.740 0.034 0.000 0.244 137 N C -1.730 173.719 175.510 -0.102 0.000 1.114 137 N CA -0.077 52.950 53.050 -0.037 0.000 0.963 137 N CB -0.301 38.139 38.487 -0.078 0.000 1.276 137 N HN 0.405 nan 8.380 nan 0.000 0.510 138 F N 2.440 122.321 119.950 -0.115 0.000 2.427 138 F HA 0.254 4.802 4.527 0.034 0.000 0.352 138 F C 0.754 176.449 175.800 -0.174 0.000 1.100 138 F CA -0.437 57.479 58.000 -0.141 0.000 1.191 138 F CB 0.829 39.745 39.000 -0.140 0.000 1.128 138 F HN 0.130 nan 8.300 nan 0.000 0.533 139 V N 0.701 120.565 119.914 -0.084 0.000 3.019 139 V HA 0.991 5.132 4.120 0.034 0.000 0.317 139 V C -0.615 175.446 176.094 -0.057 0.000 1.094 139 V CA -1.145 61.052 62.300 -0.171 0.000 1.000 139 V CB 1.421 32.946 31.823 -0.497 0.000 1.060 139 V HN 0.894 nan 8.190 nan 0.000 0.443 140 A N 1.980 124.753 122.820 -0.077 0.000 2.414 140 A HA 0.912 5.252 4.320 0.034 0.000 0.306 140 A C -1.016 176.534 177.584 -0.057 0.000 1.054 140 A CA -0.730 51.227 52.037 -0.134 0.000 0.724 140 A CB 1.460 20.334 19.000 -0.210 0.000 1.267 140 A HN 1.544 nan 8.150 nan 0.000 0.418 141 Y N 0.100 120.393 120.300 -0.013 0.000 2.453 141 Y HA 0.835 5.405 4.550 0.034 0.000 0.326 141 Y C 0.490 176.357 175.900 -0.056 0.000 1.186 141 Y CA -0.839 57.250 58.100 -0.017 0.000 1.200 141 Y CB 0.952 39.409 38.460 -0.005 0.000 1.247 141 Y HN 0.780 nan 8.280 nan 0.000 0.482 142 G N 0.326 109.242 108.800 0.194 0.000 2.644 142 G HA2 0.574 4.555 3.960 0.034 0.000 0.307 142 G HA3 0.574 4.555 3.960 0.034 0.000 0.307 142 G C -0.961 174.149 174.900 0.349 0.000 1.250 142 G CA -0.736 44.512 45.100 0.247 0.000 0.996 142 G HN 1.074 nan 8.290 nan 0.000 0.489 143 V N -1.607 118.587 119.914 0.466 0.000 2.863 143 V HA 0.467 4.608 4.120 0.034 0.000 0.307 143 V C 0.300 176.585 176.094 0.319 0.000 1.061 143 V CA -1.104 61.367 62.300 0.286 0.000 1.024 143 V CB 1.689 33.666 31.823 0.257 0.000 1.049 143 V HN 0.695 nan 8.190 nan 0.000 0.471 144 D N 3.590 124.123 120.400 0.220 0.000 2.455 144 D HA 0.125 4.786 4.640 0.034 0.000 0.241 144 D C -1.633 174.753 176.300 0.143 0.000 1.138 144 D CA -1.129 52.959 54.000 0.146 0.000 0.877 144 D CB 1.992 42.833 40.800 0.069 0.000 1.187 144 D HN 0.500 nan 8.370 nan 0.000 0.451 145 P HA -0.046 nan 4.420 nan 0.000 0.226 145 P C 0.459 177.669 177.300 -0.150 0.000 1.153 145 P CA 0.914 63.872 63.100 -0.236 0.000 0.777 145 P CB 0.577 31.902 31.700 -0.625 0.000 0.794 146 E N -0.716 119.361 120.200 -0.206 0.000 2.152 146 E HA -0.037 4.333 4.350 0.034 0.000 0.195 146 E C 2.037 178.333 176.600 -0.506 0.000 0.934 146 E CA 1.509 57.739 56.400 -0.284 0.000 0.869 146 E CB -0.993 28.614 29.700 -0.155 0.000 0.842 146 E HN 0.220 nan 8.360 nan 0.000 0.472 147 T N -2.571 111.791 114.554 -0.319 0.000 3.067 147 T HA -0.046 4.324 4.350 0.034 0.000 0.261 147 T C 0.142 174.727 174.700 -0.191 0.000 1.110 147 T CA 0.841 62.801 62.100 -0.234 0.000 1.113 147 T CB -0.433 68.400 68.868 -0.059 0.000 0.917 147 T HN 0.364 nan 8.240 nan 0.000 0.499 148 H N -0.811 118.314 119.070 0.092 0.000 3.010 148 H HA -0.105 4.471 4.556 0.034 0.000 0.272 148 H C -0.364 175.101 175.328 0.228 0.000 1.151 148 H CA 0.120 56.246 56.048 0.131 0.000 1.159 148 H CB -2.457 27.358 29.762 0.088 0.000 1.295 148 H HN 0.349 nan 8.280 nan 0.000 0.344 149 V N 1.237 121.318 119.914 0.278 0.000 2.644 149 V HA 0.149 4.289 4.120 0.034 0.000 0.295 149 V C 1.349 177.608 176.094 0.276 0.000 1.053 149 V CA -0.561 61.957 62.300 0.364 0.000 0.987 149 V CB 1.513 33.487 31.823 0.252 0.000 1.006 149 V HN 0.199 nan 8.190 nan 0.000 0.472 150 I N 3.304 123.998 120.570 0.208 0.000 2.826 150 I HA -0.058 4.132 4.170 0.034 0.000 0.295 150 I C 0.633 176.615 176.117 -0.226 0.000 1.213 150 I CA 0.585 61.800 61.300 -0.141 0.000 1.436 150 I CB 0.107 37.811 38.000 -0.493 0.000 1.348 150 I HN 0.644 nan 8.210 nan 0.000 0.570 151 D N 6.907 127.223 120.400 -0.140 0.000 2.393 151 D HA 0.047 4.707 4.640 0.034 0.000 0.232 151 D C 0.555 176.714 176.300 -0.236 0.000 1.192 151 D CA -0.073 53.882 54.000 -0.076 0.000 0.882 151 D CB 0.455 41.279 40.800 0.041 0.000 1.038 151 D HN 0.327 nan 8.370 nan 0.000 0.499 152 Y N 1.614 121.842 120.300 -0.121 0.000 2.352 152 Y HA -0.113 4.458 4.550 0.034 0.000 0.292 152 Y C 1.974 177.763 175.900 -0.185 0.000 1.136 152 Y CA 0.704 58.655 58.100 -0.247 0.000 1.227 152 Y CB 0.194 38.497 38.460 -0.261 0.000 0.991 152 Y HN 0.400 nan 8.280 nan 0.000 0.545 153 D N -0.226 120.181 120.400 0.012 0.000 2.178 153 D HA -0.164 4.496 4.640 0.034 0.000 0.202 153 D C 1.552 177.841 176.300 -0.018 0.000 0.974 153 D CA 1.426 55.423 54.000 -0.005 0.000 0.841 153 D CB -0.199 40.608 40.800 0.012 0.000 0.953 153 D HN 0.412 nan 8.370 nan 0.000 0.478 154 D N 0.412 120.801 120.400 -0.018 0.000 2.123 154 D HA -0.113 4.548 4.640 0.034 0.000 0.200 154 D C 2.152 178.449 176.300 -0.004 0.000 0.976 154 D CA 0.521 54.532 54.000 0.018 0.000 0.831 154 D CB 0.147 40.989 40.800 0.070 0.000 0.974 154 D HN -0.113 nan 8.370 nan 0.000 0.469 155 V N 0.671 120.499 119.914 -0.144 0.000 2.282 155 V HA -0.285 3.855 4.120 0.034 0.000 0.249 155 V C 2.645 178.666 176.094 -0.121 0.000 1.057 155 V CA 2.248 64.388 62.300 -0.267 0.000 1.032 155 V CB -0.667 30.725 31.823 -0.718 0.000 0.645 155 V HN 0.237 nan 8.190 nan 0.000 0.447 156 R N -0.105 120.329 120.500 -0.109 0.000 2.073 156 R HA -0.218 4.143 4.340 0.034 0.000 0.234 156 R C 2.438 178.728 176.300 -0.017 0.000 1.134 156 R CA 2.073 58.140 56.100 -0.055 0.000 0.952 156 R CB -0.300 29.971 30.300 -0.048 0.000 0.850 156 R HN 0.695 nan 8.270 nan 0.000 0.433 157 E N 0.196 120.392 120.200 -0.007 0.000 2.051 157 E HA -0.201 4.170 4.350 0.034 0.000 0.192 157 E C 1.600 178.210 176.600 0.017 0.000 0.991 157 E CA 1.143 57.544 56.400 0.001 0.000 0.799 157 E CB 0.183 29.888 29.700 0.008 0.000 0.748 157 E HN 0.155 nan 8.360 nan 0.000 0.449 158 K N 0.293 120.737 120.400 0.073 0.000 2.063 158 K HA -0.139 4.201 4.320 0.034 0.000 0.208 158 K C 2.105 178.805 176.600 0.165 0.000 1.048 158 K CA 1.120 57.515 56.287 0.179 0.000 0.928 158 K CB -0.500 32.145 32.500 0.241 0.000 0.713 158 K HN 0.204 nan 8.250 nan 0.000 0.442 159 A N 1.680 124.559 122.820 0.099 0.000 1.877 159 A HA -0.186 4.154 4.320 0.034 0.000 0.216 159 A C 2.247 179.855 177.584 0.040 0.000 1.186 159 A CA 1.532 53.614 52.037 0.075 0.000 0.620 159 A CB -0.398 18.628 19.000 0.044 0.000 0.822 159 A HN 0.276 nan 8.150 nan 0.000 0.443 160 R N -1.369 119.136 120.500 0.008 0.000 2.090 160 R HA -0.004 4.356 4.340 0.034 0.000 0.228 160 R C 2.102 178.374 176.300 -0.048 0.000 1.110 160 R CA 1.182 57.272 56.100 -0.016 0.000 0.973 160 R CB -0.418 29.870 30.300 -0.021 0.000 0.869 160 R HN 0.492 nan 8.270 nan 0.000 0.440 161 L N 0.099 121.263 121.223 -0.098 0.000 2.023 161 L HA -0.114 4.246 4.340 0.034 0.000 0.205 161 L C 1.842 178.565 176.870 -0.245 0.000 1.073 161 L CA 1.905 56.611 54.840 -0.225 0.000 0.745 161 L CB -0.345 41.478 42.059 -0.393 0.000 0.900 161 L HN 0.186 nan 8.230 nan 0.000 0.435 162 H N 0.051 119.121 119.070 -0.000 0.000 2.544 162 H HA 0.230 4.806 4.556 0.034 0.000 0.269 162 H C 0.066 175.384 175.328 -0.017 0.000 0.970 162 H CA 0.195 56.238 56.048 -0.009 0.000 1.219 162 H CB 0.250 30.006 29.762 -0.009 0.000 1.421 162 H HN 0.168 nan 8.280 nan 0.000 0.555 163 R N 0.414 120.960 120.500 0.078 0.000 3.205 163 R HA -0.100 4.260 4.340 0.034 0.000 0.249 163 R C -2.601 173.716 176.300 0.027 0.000 0.937 163 R CA 0.020 56.142 56.100 0.036 0.000 0.641 163 R CB -2.416 27.893 30.300 0.015 0.000 1.114 163 R HN 0.437 nan 8.270 nan 0.000 0.451 164 P HA 0.061 nan 4.420 nan 0.000 0.272 164 P C 0.636 177.924 177.300 -0.020 0.000 1.223 164 P CA -0.234 62.852 63.100 -0.023 0.000 0.784 164 P CB 0.856 32.540 31.700 -0.028 0.000 0.923 165 K N 0.699 121.074 120.400 -0.041 0.000 2.228 165 K HA -0.004 4.336 4.320 0.034 0.000 0.202 165 K C 0.279 176.917 176.600 0.064 0.000 1.051 165 K CA 0.567 56.857 56.287 0.006 0.000 0.960 165 K CB 0.001 32.502 32.500 0.001 0.000 0.743 165 K HN 0.317 nan 8.250 nan 0.000 0.458 166 L N 0.937 122.158 121.223 -0.004 0.000 2.455 166 L HA 0.448 4.808 4.340 0.034 0.000 0.264 166 L C -1.547 175.336 176.870 0.021 0.000 0.968 166 L CA -0.593 54.274 54.840 0.046 0.000 0.827 166 L CB 1.909 43.942 42.059 -0.043 0.000 1.317 166 L HN -0.086 nan 8.230 nan 0.000 0.407 167 I N 4.978 125.621 120.570 0.121 0.000 2.404 167 I HA 0.513 4.704 4.170 0.034 0.000 0.293 167 I C -0.723 175.494 176.117 0.166 0.000 0.992 167 I CA -1.005 60.396 61.300 0.168 0.000 1.149 167 I CB 1.957 40.105 38.000 0.247 0.000 1.315 167 I HN 0.259 nan 8.210 nan 0.000 0.446 168 V N 5.429 125.439 119.914 0.160 0.000 2.435 168 V HA 0.715 4.855 4.120 0.034 0.000 0.290 168 V C 0.238 176.327 176.094 -0.009 0.000 1.030 168 V CA -0.420 61.909 62.300 0.049 0.000 0.881 168 V CB 1.450 33.272 31.823 -0.003 0.000 0.983 168 V HN 0.852 nan 8.190 nan 0.000 0.445 169 A N 3.983 126.672 122.820 -0.219 0.000 2.380 169 A HA 1.059 5.399 4.320 0.034 0.000 0.315 169 A C -0.024 177.475 177.584 -0.141 0.000 1.101 169 A CA -0.014 51.757 52.037 -0.442 0.000 0.771 169 A CB 1.609 19.972 19.000 -1.062 0.000 1.287 169 A HN 2.499 nan 8.150 nan 0.000 0.436 170 A N -0.920 121.896 122.820 -0.008 0.000 2.435 170 A HA 0.564 4.904 4.320 0.034 0.000 0.686 170 A C -0.310 177.408 177.584 0.222 0.000 0.138 170 A CA -0.035 52.088 52.037 0.143 0.000 0.025 170 A CB -1.496 17.589 19.000 0.140 0.000 3.974 170 A HN 2.975 nan 8.150 nan 0.000 0.548 171 A N -0.533 122.430 122.820 0.239 0.000 2.612 171 A HA 0.947 5.287 4.320 0.034 0.000 0.293 171 A C 0.675 178.317 177.584 0.097 0.000 1.075 171 A CA 0.734 52.886 52.037 0.191 0.000 0.680 171 A CB 0.600 19.704 19.000 0.174 0.000 1.279 171 A HN 2.488 nan 8.150 nan 0.000 0.411 172 S N -0.430 115.278 115.700 0.012 0.000 2.503 172 S HA 0.463 4.953 4.470 0.034 0.000 0.215 172 S C 0.761 175.135 174.600 -0.377 0.000 1.003 172 S CA 0.842 58.938 58.200 -0.173 0.000 0.910 172 S CB 0.415 63.658 63.200 0.071 0.000 0.790 172 S HN 2.161 nan 8.310 nan 0.000 0.514 173 A N 0.379 123.113 122.820 -0.143 0.000 3.292 173 A HA 0.527 4.867 4.320 0.034 0.000 0.231 173 A C -0.932 176.676 177.584 0.039 0.000 0.952 173 A CA -0.447 51.524 52.037 -0.110 0.000 1.044 173 A CB -0.042 18.911 19.000 -0.079 0.000 1.236 173 A HN 0.444 nan 8.150 nan 0.000 0.525 174 Y N 1.843 122.094 120.300 -0.081 0.000 2.328 174 Y HA 0.551 5.121 4.550 0.033 0.000 0.333 174 Y C -2.242 173.662 175.900 0.006 0.000 0.958 174 Y CA -2.320 55.780 58.100 0.000 0.000 1.167 174 Y CB 2.217 40.718 38.460 0.068 0.000 1.151 174 Y HN 0.252 nan 8.280 nan 0.000 0.470 175 P HA 0.104 nan 4.420 nan 0.000 0.249 175 P C -0.258 176.835 177.300 -0.345 0.000 1.229 175 P CA 0.588 63.510 63.100 -0.296 0.000 0.788 175 P CB 0.514 32.089 31.700 -0.207 0.000 1.072 176 R N -0.139 119.944 120.500 -0.695 0.000 2.873 176 R HA 0.488 4.849 4.340 0.034 0.000 0.264 176 R C 0.434 176.681 176.300 -0.089 0.000 1.026 176 R CA -1.471 54.390 56.100 -0.398 0.000 1.002 176 R CB 0.809 30.869 30.300 -0.398 0.000 1.174 176 R HN 0.006 nan 8.270 nan 0.000 0.488 177 I N 2.171 122.753 120.570 0.021 0.000 2.710 177 I HA 0.002 4.192 4.170 0.034 0.000 0.286 177 I C 0.566 176.791 176.117 0.181 0.000 1.181 177 I CA 0.460 61.778 61.300 0.031 0.000 1.430 177 I CB 0.298 38.155 38.000 -0.239 0.000 1.367 177 I HN 0.238 nan 8.210 nan 0.000 0.577 178 I N 5.528 126.213 120.570 0.192 0.000 2.396 178 I HA 0.098 4.289 4.170 0.034 0.000 0.292 178 I C 0.219 176.103 176.117 -0.388 0.000 0.999 178 I CA -0.281 61.046 61.300 0.046 0.000 1.310 178 I CB 0.953 38.914 38.000 -0.065 0.000 1.404 178 I HN 0.492 nan 8.210 nan 0.000 0.496 179 D N 6.375 126.731 120.400 -0.074 0.000 2.468 179 D HA 0.147 4.808 4.640 0.034 0.000 0.218 179 D C 0.736 176.976 176.300 -0.099 0.000 1.155 179 D CA -0.103 53.745 54.000 -0.254 0.000 0.924 179 D CB 0.304 40.825 40.800 -0.464 0.000 1.029 179 D HN 0.347 nan 8.370 nan 0.000 0.515 180 F N 1.766 121.736 119.950 0.033 0.000 2.293 180 F HA -0.099 4.449 4.527 0.034 0.000 0.300 180 F C 2.496 178.121 175.800 -0.291 0.000 1.086 180 F CA 0.568 58.562 58.000 -0.009 0.000 1.375 180 F CB -0.059 38.936 39.000 -0.008 0.000 1.045 180 F HN 0.430 nan 8.300 nan 0.000 0.516 181 A N 0.575 123.056 122.820 -0.565 0.000 1.902 181 A HA -0.187 4.153 4.320 0.034 0.000 0.217 181 A C 2.201 179.678 177.584 -0.177 0.000 1.181 181 A CA 1.510 53.181 52.037 -0.610 0.000 0.623 181 A CB -0.518 18.151 19.000 -0.552 0.000 0.818 181 A HN 0.293 nan 8.150 nan 0.000 0.443 182 K N -1.474 118.808 120.400 -0.197 0.000 2.057 182 K HA -0.080 4.260 4.320 0.034 0.000 0.206 182 K C 1.667 178.223 176.600 -0.074 0.000 1.050 182 K CA 1.436 57.605 56.287 -0.197 0.000 0.935 182 K CB -0.347 31.870 32.500 -0.471 0.000 0.715 182 K HN 0.460 nan 8.250 nan 0.000 0.439 183 F N 1.233 121.209 119.950 0.044 0.000 2.126 183 F HA -0.214 4.335 4.527 0.035 0.000 0.299 183 F C 2.633 178.484 175.800 0.085 0.000 1.096 183 F CA 1.373 59.429 58.000 0.093 0.000 1.255 183 F CB -0.186 38.912 39.000 0.163 0.000 0.997 183 F HN -0.056 nan 8.300 nan 0.000 0.479 184 R N 0.869 121.531 120.500 0.271 0.000 2.092 184 R HA -0.153 4.207 4.340 0.034 0.000 0.231 184 R C 2.030 178.414 176.300 0.140 0.000 1.119 184 R CA 1.756 57.986 56.100 0.215 0.000 0.970 184 R CB -0.767 29.690 30.300 0.261 0.000 0.864 184 R HN 0.408 nan 8.270 nan 0.000 0.440 185 E N -0.171 120.082 120.200 0.088 0.000 2.058 185 E HA -0.201 4.169 4.350 0.034 0.000 0.194 185 E C 1.846 178.465 176.600 0.033 0.000 0.997 185 E CA 1.855 58.281 56.400 0.044 0.000 0.801 185 E CB -0.157 29.543 29.700 -0.000 0.000 0.746 185 E HN 0.439 nan 8.360 nan 0.000 0.450 186 I N 0.716 121.298 120.570 0.020 0.000 2.202 186 I HA -0.239 3.951 4.170 0.034 0.000 0.242 186 I C 2.595 178.741 176.117 0.048 0.000 1.091 186 I CA 0.917 62.221 61.300 0.007 0.000 1.368 186 I CB -0.365 37.604 38.000 -0.051 0.000 1.058 186 I HN 0.178 nan 8.210 nan 0.000 0.410 187 A N 0.692 123.573 122.820 0.101 0.000 1.892 187 A HA -0.282 4.058 4.320 0.034 0.000 0.218 187 A C 1.954 179.587 177.584 0.081 0.000 1.188 187 A CA 2.357 54.466 52.037 0.120 0.000 0.631 187 A CB -0.711 18.408 19.000 0.199 0.000 0.822 187 A HN 0.355 nan 8.150 nan 0.000 0.447 188 D N -0.895 119.555 120.400 0.084 0.000 2.144 188 D HA -0.143 4.517 4.640 0.034 0.000 0.199 188 D C 1.889 178.205 176.300 0.028 0.000 0.984 188 D CA 1.419 55.454 54.000 0.058 0.000 0.834 188 D CB -0.336 40.501 40.800 0.061 0.000 0.955 188 D HN 0.751 nan 8.370 nan 0.000 0.465 189 E N 0.327 120.541 120.200 0.024 0.000 2.110 189 E HA -0.133 4.238 4.350 0.034 0.000 0.193 189 E C 1.666 178.268 176.600 0.004 0.000 0.988 189 E CA 1.049 57.455 56.400 0.010 0.000 0.804 189 E CB 0.306 30.008 29.700 0.004 0.000 0.745 189 E HN 0.230 nan 8.360 nan 0.000 0.458 190 V N -3.247 116.671 119.914 0.008 0.000 3.621 190 V HA 0.428 4.569 4.120 0.034 0.000 0.285 190 V C 1.022 177.108 176.094 -0.012 0.000 1.346 190 V CA 0.325 62.626 62.300 0.001 0.000 1.104 190 V CB -0.010 31.819 31.823 0.011 0.000 0.913 190 V HN 0.255 nan 8.190 nan 0.000 0.432 191 G N 0.477 109.264 108.800 -0.022 0.000 2.273 191 G HA2 -0.024 3.957 3.960 0.034 0.000 0.280 191 G HA3 -0.024 3.957 3.960 0.034 0.000 0.280 191 G C 0.219 175.053 174.900 -0.110 0.000 1.047 191 G CA 0.440 45.501 45.100 -0.065 0.000 0.869 191 G HN 1.658 nan 8.290 nan 0.000 0.502 192 A N -0.635 122.146 122.820 -0.066 0.000 2.312 192 A HA 0.819 5.160 4.320 0.034 0.000 0.328 192 A C 0.054 177.583 177.584 -0.091 0.000 1.158 192 A CA -0.806 51.196 52.037 -0.057 0.000 0.821 192 A CB 0.849 19.872 19.000 0.038 0.000 1.170 192 A HN 0.526 nan 8.150 nan 0.000 0.490 193 Y N 0.108 120.374 120.300 -0.057 0.000 2.457 193 Y HA 0.334 4.905 4.550 0.035 0.000 0.341 193 Y C 0.325 176.326 175.900 0.168 0.000 1.240 193 Y CA 0.455 58.481 58.100 -0.122 0.000 1.437 193 Y CB 0.633 39.043 38.460 -0.083 0.000 1.328 193 Y HN 0.553 nan 8.280 nan 0.000 0.588 194 L N 4.919 126.501 121.223 0.598 0.000 2.313 194 L HA 0.517 4.878 4.340 0.034 0.000 0.283 194 L C -0.818 176.246 176.870 0.324 0.000 1.013 194 L CA -0.851 54.218 54.840 0.381 0.000 0.816 194 L CB 1.164 43.400 42.059 0.296 0.000 1.236 194 L HN 0.729 nan 8.230 nan 0.000 0.419 195 M N 5.756 125.494 119.600 0.230 0.000 2.294 195 M HA 0.622 5.122 4.480 0.034 0.000 0.335 195 M C -1.737 174.573 176.300 0.017 0.000 1.079 195 M CA -0.605 54.797 55.300 0.169 0.000 0.982 195 M CB 1.602 34.296 32.600 0.157 0.000 1.651 195 M HN 0.412 nan 8.290 nan 0.000 0.437 196 V N 4.211 124.090 119.914 -0.058 0.000 2.384 196 V HA 0.283 4.423 4.120 0.034 0.000 0.287 196 V C -0.679 175.343 176.094 -0.121 0.000 1.020 196 V CA -0.583 61.626 62.300 -0.152 0.000 0.850 196 V CB 1.579 33.177 31.823 -0.375 0.000 0.987 196 V HN 0.780 nan 8.190 nan 0.000 0.436 197 D N 5.704 126.060 120.400 -0.073 0.000 2.456 197 D HA 0.246 4.906 4.640 0.034 0.000 0.219 197 D C 0.792 177.094 176.300 0.003 0.000 1.126 197 D CA -0.468 53.524 54.000 -0.014 0.000 0.890 197 D CB 1.133 42.006 40.800 0.121 0.000 1.025 197 D HN 0.605 nan 8.370 nan 0.000 0.511 198 M N 1.647 121.201 119.600 -0.075 0.000 2.530 198 M HA 0.355 4.855 4.480 0.034 0.000 0.231 198 M C 1.393 177.656 176.300 -0.062 0.000 1.180 198 M CA -0.365 54.895 55.300 -0.066 0.000 0.985 198 M CB 0.621 33.127 32.600 -0.157 0.000 1.623 198 M HN 0.134 nan 8.290 nan 0.000 0.475 199 A N 1.235 124.019 122.820 -0.060 0.000 1.896 199 A HA -0.244 4.096 4.320 0.034 0.000 0.220 199 A C 2.113 179.610 177.584 -0.145 0.000 1.206 199 A CA 2.150 54.109 52.037 -0.130 0.000 0.647 199 A CB -1.380 17.522 19.000 -0.163 0.000 0.828 199 A HN 0.746 nan 8.150 nan 0.000 0.455 200 H N -0.447 118.581 119.070 -0.071 0.000 2.387 200 H HA -0.062 4.516 4.556 0.036 0.000 0.299 200 H C 1.869 177.070 175.328 -0.212 0.000 1.090 200 H CA 1.846 57.866 56.048 -0.046 0.000 1.332 200 H CB -0.037 29.818 29.762 0.155 0.000 1.386 200 H HN 0.732 nan 8.280 nan 0.000 0.516 201 I N -2.777 117.776 120.570 -0.028 0.000 3.976 201 I HA 0.354 4.544 4.170 0.034 0.000 0.337 201 I C 2.175 178.278 176.117 -0.022 0.000 1.359 201 I CA 0.194 61.441 61.300 -0.087 0.000 1.098 201 I CB 0.218 38.136 38.000 -0.137 0.000 1.027 201 I HN -0.093 nan 8.210 nan 0.000 0.394 202 A N 2.161 124.974 122.820 -0.012 0.000 1.940 202 A HA -0.063 4.277 4.320 0.034 0.000 0.219 202 A C 2.330 180.084 177.584 0.284 0.000 1.176 202 A CA 2.043 54.134 52.037 0.091 0.000 0.631 202 A CB -1.372 17.629 19.000 0.003 0.000 0.814 202 A HN 0.546 nan 8.150 nan 0.000 0.446 203 G N -0.274 108.665 108.800 0.231 0.000 2.408 203 G HA2 -0.102 3.878 3.960 0.034 0.000 0.217 203 G HA3 -0.102 3.878 3.960 0.034 0.000 0.217 203 G C 1.533 176.638 174.900 0.342 0.000 1.150 203 G CA 0.956 46.305 45.100 0.415 0.000 0.776 203 G HN 0.449 nan 8.290 nan 0.000 0.542 204 L N 0.327 121.653 121.223 0.173 0.000 2.027 204 L HA -0.078 4.283 4.340 0.034 0.000 0.206 204 L C 2.965 179.968 176.870 0.221 0.000 1.074 204 L CA 0.470 55.399 54.840 0.148 0.000 0.745 204 L CB -0.829 41.302 42.059 0.121 0.000 0.898 204 L HN 0.057 nan 8.230 nan 0.000 0.433 205 V N 0.671 120.743 119.914 0.263 0.000 2.282 205 V HA -0.349 3.792 4.120 0.034 0.000 0.249 205 V C 2.872 179.123 176.094 0.263 0.000 1.057 205 V CA 2.034 64.526 62.300 0.319 0.000 1.032 205 V CB -1.031 31.011 31.823 0.364 0.000 0.645 205 V HN 0.510 nan 8.190 nan 0.000 0.447 206 A N -0.240 122.721 122.820 0.235 0.000 1.978 206 A HA -0.096 4.245 4.320 0.034 0.000 0.220 206 A C 2.200 179.825 177.584 0.069 0.000 1.170 206 A CA 2.072 54.068 52.037 -0.070 0.000 0.636 206 A CB -0.588 18.295 19.000 -0.194 0.000 0.810 206 A HN 0.654 nan 8.150 nan 0.000 0.448 207 A N -2.029 120.907 122.820 0.193 0.000 2.251 207 A HA 0.431 4.772 4.320 0.034 0.000 0.209 207 A C 1.710 179.357 177.584 0.105 0.000 1.187 207 A CA 1.103 53.238 52.037 0.163 0.000 0.823 207 A CB -0.849 18.231 19.000 0.133 0.000 0.846 207 A HN 1.901 nan 8.150 nan 0.000 0.486 208 G N -0.958 107.912 108.800 0.117 0.000 2.147 208 G HA2 -0.237 3.743 3.960 0.034 0.000 0.244 208 G HA3 -0.237 3.743 3.960 0.034 0.000 0.244 208 G C 0.544 175.507 174.900 0.106 0.000 1.005 208 G CA 0.524 45.688 45.100 0.107 0.000 0.713 208 G HN 0.520 nan 8.290 nan 0.000 0.515 209 L N -0.449 120.850 121.223 0.127 0.000 2.616 209 L HA 0.369 4.729 4.340 0.034 0.000 0.229 209 L C 0.929 177.900 176.870 0.169 0.000 1.110 209 L CA -0.138 54.769 54.840 0.111 0.000 0.884 209 L CB 0.262 42.367 42.059 0.076 0.000 1.115 209 L HN 0.409 nan 8.230 nan 0.000 0.481 210 H N 0.484 119.627 119.070 0.122 0.000 2.806 210 H HA 0.365 4.942 4.556 0.035 0.000 0.367 210 H C -2.696 172.751 175.328 0.198 0.000 1.136 210 H CA -1.889 54.250 56.048 0.152 0.000 1.178 210 H CB 2.731 32.605 29.762 0.185 0.000 1.718 210 H HN -0.255 nan 8.280 nan 0.000 0.540 211 P HA -0.051 nan 4.420 nan 0.000 0.265 211 P C -0.186 177.475 177.300 0.602 0.000 1.187 211 P CA 0.110 63.396 63.100 0.309 0.000 0.766 211 P CB 0.500 32.297 31.700 0.163 0.000 0.820 212 N N 3.926 122.887 118.700 0.434 0.000 2.430 212 N HA 0.096 4.857 4.740 0.034 0.000 0.265 212 N C -1.519 174.163 175.510 0.287 0.000 1.100 212 N CA -2.218 51.035 53.050 0.340 0.000 0.961 212 N CB 0.422 39.053 38.487 0.239 0.000 1.075 212 N HN 0.215 nan 8.380 nan 0.000 0.478 213 P HA -0.056 nan 4.420 nan 0.000 0.229 213 P C 1.333 178.546 177.300 -0.144 0.000 1.160 213 P CA 0.354 63.161 63.100 -0.487 0.000 0.777 213 P CB 0.507 31.488 31.700 -1.199 0.000 0.814 214 V N 1.988 121.851 119.914 -0.085 0.000 2.282 214 V HA -0.166 3.974 4.120 0.034 0.000 0.249 214 V C -0.267 175.769 176.094 -0.096 0.000 1.057 214 V CA 2.602 64.855 62.300 -0.077 0.000 1.032 214 V CB -2.497 29.313 31.823 -0.021 0.000 0.645 214 V HN 0.211 nan 8.190 nan 0.000 0.447 215 P HA -0.097 nan 4.420 nan 0.000 0.226 215 P C 0.870 177.900 177.300 -0.450 0.000 1.153 215 P CA 1.420 64.329 63.100 -0.317 0.000 0.777 215 P CB -0.061 31.366 31.700 -0.456 0.000 0.794 216 Y N -1.140 119.130 120.300 -0.050 0.000 2.498 216 Y HA 0.438 5.008 4.550 0.033 0.000 0.259 216 Y C 1.350 177.174 175.900 -0.127 0.000 1.086 216 Y CA -0.282 57.793 58.100 -0.040 0.000 1.287 216 Y CB -0.230 38.278 38.460 0.081 0.000 1.146 216 Y HN -0.201 nan 8.280 nan 0.000 0.523 217 A N -0.706 122.089 122.820 -0.043 0.000 2.312 217 A HA 0.396 4.737 4.320 0.034 0.000 0.328 217 A C -0.075 177.363 177.584 -0.243 0.000 1.158 217 A CA -0.411 51.559 52.037 -0.111 0.000 0.821 217 A CB 0.327 19.262 19.000 -0.108 0.000 1.170 217 A HN 0.454 nan 8.150 nan 0.000 0.490 218 H N 0.800 119.756 119.070 -0.190 0.000 2.395 218 H HA 0.122 4.699 4.556 0.034 0.000 0.299 218 H C -0.665 174.071 175.328 -0.987 0.000 1.070 218 H CA 2.045 57.740 56.048 -0.588 0.000 1.356 218 H CB -0.032 29.203 29.762 -0.877 0.000 1.401 218 H HN 0.574 nan 8.280 nan 0.000 0.524 219 F N -0.528 119.414 119.950 -0.013 0.000 2.556 219 F HA 0.483 5.030 4.527 0.033 0.000 0.314 219 F C -0.871 174.871 175.800 -0.097 0.000 1.106 219 F CA -1.237 56.717 58.000 -0.077 0.000 0.911 219 F CB 1.901 40.817 39.000 -0.139 0.000 1.190 219 F HN -0.345 nan 8.300 nan 0.000 0.448 220 V N 1.727 121.669 119.914 0.047 0.000 2.444 220 V HA 0.586 4.726 4.120 0.034 0.000 0.294 220 V C -0.192 175.850 176.094 -0.085 0.000 1.022 220 V CA -0.699 61.553 62.300 -0.081 0.000 0.850 220 V CB 1.897 33.606 31.823 -0.191 0.000 0.992 220 V HN 0.903 nan 8.190 nan 0.000 0.426 221 T N 0.876 115.373 114.554 -0.096 0.000 2.945 221 T HA 0.829 5.199 4.350 0.034 0.000 0.286 221 T C -0.293 174.327 174.700 -0.134 0.000 1.025 221 T CA -0.659 61.381 62.100 -0.100 0.000 1.039 221 T CB 2.122 70.942 68.868 -0.081 0.000 1.068 221 T HN 0.721 nan 8.240 nan 0.000 0.497 222 T N 0.484 114.963 114.554 -0.125 0.000 2.830 222 T HA 0.576 4.946 4.350 0.034 0.000 0.322 222 T C -0.590 174.049 174.700 -0.101 0.000 1.501 222 T CA -0.402 61.613 62.100 -0.142 0.000 1.036 222 T CB 1.376 70.112 68.868 -0.220 0.000 1.379 222 T HN 1.191 nan 8.240 nan 0.000 0.493 223 T N 0.028 114.494 114.554 -0.147 0.000 2.899 223 T HA 0.436 4.807 4.350 0.034 0.000 0.284 223 T C 1.439 176.083 174.700 -0.095 0.000 1.004 223 T CA 0.187 62.194 62.100 -0.155 0.000 1.043 223 T CB 0.981 69.564 68.868 -0.474 0.000 1.013 223 T HN 0.761 nan 8.240 nan 0.000 0.518 224 T N -2.102 112.482 114.554 0.051 0.000 3.060 224 T HA 0.027 4.397 4.350 0.034 0.000 0.249 224 T C 1.249 176.019 174.700 0.118 0.000 1.079 224 T CA 0.245 62.434 62.100 0.147 0.000 1.013 224 T CB -0.455 68.535 68.868 0.203 0.000 0.975 224 T HN 0.928 nan 8.240 nan 0.000 0.518 225 H N -0.270 118.805 119.070 0.007 0.000 2.652 225 H HA 0.478 5.056 4.556 0.037 0.000 0.274 225 H C 0.819 176.122 175.328 -0.041 0.000 1.021 225 H CA -0.533 55.505 56.048 -0.016 0.000 1.187 225 H CB 0.309 30.050 29.762 -0.035 0.000 1.505 225 H HN 0.265 nan 8.280 nan 0.000 0.530 226 K N 1.112 121.379 120.400 -0.222 0.000 3.502 226 K HA 0.057 4.397 4.320 0.034 0.000 0.163 226 K C 1.948 178.511 176.600 -0.061 0.000 1.142 226 K CA 0.795 56.959 56.287 -0.203 0.000 1.539 226 K CB -0.236 32.013 32.500 -0.418 0.000 2.125 226 K HN 0.149 nan 8.250 nan 0.000 0.491 227 T N 0.384 114.879 114.554 -0.099 0.000 3.007 227 T HA -0.084 4.287 4.350 0.034 0.000 0.270 227 T C 1.785 176.648 174.700 0.271 0.000 1.107 227 T CA 0.710 62.827 62.100 0.029 0.000 1.118 227 T CB -0.089 68.689 68.868 -0.149 0.000 0.889 227 T HN 0.069 nan 8.240 nan 0.000 0.506 228 L N 1.126 122.467 121.223 0.196 0.000 2.376 228 L HA 0.334 4.694 4.340 0.034 0.000 0.219 228 L C 1.659 178.663 176.870 0.224 0.000 1.133 228 L CA 0.979 55.968 54.840 0.248 0.000 0.816 228 L CB -1.140 41.029 42.059 0.184 0.000 0.933 228 L HN 0.438 nan 8.230 nan 0.000 0.449 229 R N -1.245 119.378 120.500 0.204 0.000 3.651 229 R HA -0.156 4.204 4.340 0.034 0.000 0.292 229 R C 0.519 176.875 176.300 0.092 0.000 1.161 229 R CA 0.434 56.631 56.100 0.161 0.000 0.787 229 R CB -1.719 28.720 30.300 0.232 0.000 1.249 229 R HN 0.553 nan 8.270 nan 0.000 0.476 230 G N 0.026 108.880 108.800 0.090 0.000 2.795 230 G HA2 0.674 4.654 3.960 0.034 0.000 0.267 230 G HA3 0.674 4.654 3.960 0.034 0.000 0.267 230 G C -2.567 172.363 174.900 0.049 0.000 1.362 230 G CA -0.921 44.203 45.100 0.039 0.000 1.048 230 G HN 0.118 nan 8.290 nan 0.000 0.547 231 P HA 0.173 nan 4.420 nan 0.000 0.272 231 P C -0.564 176.745 177.300 0.015 0.000 1.240 231 P CA -0.472 62.617 63.100 -0.017 0.000 0.791 231 P CB 1.050 32.711 31.700 -0.067 0.000 0.978 232 R N 0.251 120.690 120.500 -0.102 0.000 2.370 232 R HA 0.500 4.860 4.340 0.034 0.000 0.309 232 R C 0.436 176.699 176.300 -0.062 0.000 1.059 232 R CA 0.792 56.720 56.100 -0.286 0.000 0.981 232 R CB -0.499 29.535 30.300 -0.443 0.000 0.972 232 R HN 0.857 nan 8.270 nan 0.000 0.437 233 G N 1.223 110.107 108.800 0.140 0.000 2.320 233 G HA2 0.399 4.379 3.960 0.034 0.000 0.296 233 G HA3 0.399 4.379 3.960 0.034 0.000 0.296 233 G C -1.294 173.699 174.900 0.155 0.000 1.306 233 G CA -0.419 44.748 45.100 0.113 0.000 0.836 233 G HN 0.770 nan 8.290 nan 0.000 0.517 234 G N -1.370 107.487 108.800 0.095 0.000 2.644 234 G HA2 0.836 4.816 3.960 0.034 0.000 0.307 234 G HA3 0.836 4.816 3.960 0.034 0.000 0.307 234 G C -0.735 174.200 174.900 0.058 0.000 1.250 234 G CA -0.386 44.751 45.100 0.062 0.000 0.996 234 G HN 1.209 nan 8.290 nan 0.000 0.489 235 M N -0.262 119.353 119.600 0.026 0.000 2.534 235 M HA 0.608 5.109 4.480 0.034 0.000 0.280 235 M C -2.125 174.158 176.300 -0.028 0.000 1.217 235 M CA -0.646 54.668 55.300 0.023 0.000 0.893 235 M CB 2.190 34.824 32.600 0.056 0.000 1.730 235 M HN 0.403 nan 8.290 nan 0.000 0.483 236 I N 4.302 124.863 120.570 -0.015 0.000 2.465 236 I HA 0.498 4.688 4.170 0.034 0.000 0.291 236 I C -1.310 174.799 176.117 -0.012 0.000 1.014 236 I CA -0.753 60.541 61.300 -0.010 0.000 1.093 236 I CB 2.035 40.058 38.000 0.037 0.000 1.267 236 I HN 0.595 nan 8.210 nan 0.000 0.431 237 L N 6.029 127.236 121.223 -0.026 0.000 2.334 237 L HA 0.818 5.179 4.340 0.034 0.000 0.276 237 L C -0.488 176.432 176.870 0.083 0.000 1.014 237 L CA -0.599 54.235 54.840 -0.010 0.000 0.815 237 L CB 1.875 43.871 42.059 -0.105 0.000 1.268 237 L HN 0.813 nan 8.230 nan 0.000 0.428 238 C N -0.326 119.061 119.300 0.144 0.000 3.295 238 C HA 0.423 4.903 4.460 0.034 0.000 0.341 238 C C -0.667 174.432 174.990 0.182 0.000 1.418 238 C CA -1.008 58.117 59.018 0.180 0.000 1.240 238 C CB 1.751 29.681 27.740 0.318 0.000 1.562 238 C HN 0.865 nan 8.230 nan 0.000 0.457 239 Q N 0.429 120.337 119.800 0.180 0.000 2.368 239 Q HA 0.166 4.527 4.340 0.034 0.000 0.237 239 Q C 0.862 176.881 176.000 0.031 0.000 0.987 239 Q CA 0.077 55.926 55.803 0.076 0.000 0.896 239 Q CB 1.092 29.834 28.738 0.007 0.000 1.241 239 Q HN 0.837 nan 8.270 nan 0.000 0.485 240 E N 1.077 121.260 120.200 -0.029 0.000 2.171 240 E HA -0.264 4.106 4.350 0.034 0.000 0.197 240 E C 1.802 178.302 176.600 -0.166 0.000 0.997 240 E CA 1.822 58.175 56.400 -0.079 0.000 0.810 240 E CB 0.136 29.797 29.700 -0.064 0.000 0.738 240 E HN 0.530 nan 8.360 nan 0.000 0.467 241 Q N -0.770 118.867 119.800 -0.271 0.000 2.234 241 Q HA -0.175 4.185 4.340 0.034 0.000 0.206 241 Q C 1.252 176.969 176.000 -0.472 0.000 0.980 241 Q CA 1.292 56.835 55.803 -0.433 0.000 0.869 241 Q CB -0.458 27.913 28.738 -0.611 0.000 0.912 241 Q HN 0.416 nan 8.270 nan 0.000 0.436 242 F N 0.377 120.323 119.950 -0.007 0.000 2.695 242 F HA 0.447 4.994 4.527 0.033 0.000 0.303 242 F C 2.226 178.019 175.800 -0.010 0.000 1.091 242 F CA -0.157 57.875 58.000 0.054 0.000 1.300 242 F CB -0.226 38.877 39.000 0.173 0.000 1.071 242 F HN 0.072 nan 8.300 nan 0.000 0.578 243 A N 0.757 123.543 122.820 -0.056 0.000 1.883 243 A HA -0.261 4.079 4.320 0.034 0.000 0.217 243 A C 2.354 179.755 177.584 -0.304 0.000 1.186 243 A CA 2.072 53.841 52.037 -0.446 0.000 0.624 243 A CB -0.632 17.809 19.000 -0.932 0.000 0.822 243 A HN 0.329 nan 8.150 nan 0.000 0.444 244 K N -0.667 119.624 120.400 -0.181 0.000 2.026 244 K HA -0.216 4.124 4.320 0.034 0.000 0.208 244 K C 2.316 178.906 176.600 -0.018 0.000 1.048 244 K CA 1.792 58.017 56.287 -0.104 0.000 0.929 244 K CB -0.217 32.246 32.500 -0.062 0.000 0.713 244 K HN 0.650 nan 8.250 nan 0.000 0.439 245 Q N 0.155 119.981 119.800 0.043 0.000 2.084 245 Q HA -0.140 4.221 4.340 0.034 0.000 0.202 245 Q C 2.132 178.186 176.000 0.090 0.000 0.978 245 Q CA 1.251 57.104 55.803 0.083 0.000 0.844 245 Q CB -0.016 28.802 28.738 0.134 0.000 0.898 245 Q HN 0.319 nan 8.270 nan 0.000 0.426 246 I N 1.342 121.980 120.570 0.113 0.000 2.179 246 I HA -0.251 3.939 4.170 0.034 0.000 0.242 246 I C 1.586 177.773 176.117 0.117 0.000 1.088 246 I CA 1.457 62.827 61.300 0.115 0.000 1.357 246 I CB -0.969 37.149 38.000 0.197 0.000 1.051 246 I HN 0.220 nan 8.210 nan 0.000 0.409 247 D N 0.944 121.380 120.400 0.061 0.000 2.117 247 D HA -0.167 4.493 4.640 0.034 0.000 0.197 247 D C 2.213 178.629 176.300 0.194 0.000 0.987 247 D CA 1.163 55.162 54.000 -0.002 0.000 0.829 247 D CB -0.136 40.399 40.800 -0.442 0.000 0.961 247 D HN 0.314 nan 8.370 nan 0.000 0.460 248 K N 0.463 120.946 120.400 0.139 0.000 2.147 248 K HA -0.013 4.327 4.320 0.034 0.000 0.205 248 K C 2.080 178.785 176.600 0.175 0.000 1.049 248 K CA 0.940 57.327 56.287 0.167 0.000 0.936 248 K CB -0.021 32.545 32.500 0.110 0.000 0.722 248 K HN 0.025 nan 8.250 nan 0.000 0.446 249 A N 1.545 124.481 122.820 0.193 0.000 1.902 249 A HA -0.165 4.176 4.320 0.034 0.000 0.217 249 A C 2.047 179.702 177.584 0.119 0.000 1.181 249 A CA 1.230 53.419 52.037 0.253 0.000 0.623 249 A CB -0.373 18.766 19.000 0.231 0.000 0.818 249 A HN 0.099 nan 8.150 nan 0.000 0.443 250 I N -2.776 117.886 120.570 0.155 0.000 2.233 250 I HA 0.046 4.236 4.170 0.034 0.000 0.243 250 I C 0.495 176.732 176.117 0.199 0.000 1.093 250 I CA 1.248 62.630 61.300 0.137 0.000 1.380 250 I CB -0.523 37.598 38.000 0.201 0.000 1.067 250 I HN 0.342 nan 8.210 nan 0.000 0.413 251 F N 2.500 122.541 119.950 0.152 0.000 2.588 251 F HA 0.411 4.960 4.527 0.037 0.000 0.318 251 F C -2.244 173.670 175.800 0.190 0.000 1.155 251 F CA -1.904 56.163 58.000 0.112 0.000 0.967 251 F CB 1.912 40.933 39.000 0.036 0.000 1.236 251 F HN -0.244 nan 8.300 nan 0.000 0.455 252 P HA 0.169 nan 4.420 nan 0.000 0.255 252 P C 0.969 178.046 177.300 -0.373 0.000 1.301 252 P CA 0.572 63.037 63.100 -1.058 0.000 0.817 252 P CB 0.344 31.472 31.700 -0.953 0.000 1.259 253 G N 2.183 110.884 108.800 -0.166 0.000 2.505 253 G HA2 -0.188 3.792 3.960 0.034 0.000 0.214 253 G HA3 -0.188 3.792 3.960 0.034 0.000 0.214 253 G C 1.312 175.947 174.900 -0.441 0.000 1.237 253 G CA 1.077 46.060 45.100 -0.195 0.000 0.802 253 G HN 0.434 nan 8.290 nan 0.000 0.549 254 I N -3.440 116.931 120.570 -0.333 0.000 4.323 254 I HA 0.426 4.616 4.170 0.034 0.000 0.328 254 I C 0.790 176.827 176.117 -0.134 0.000 1.310 254 I CA -0.168 60.935 61.300 -0.328 0.000 1.186 254 I CB 0.505 38.273 38.000 -0.387 0.000 1.130 254 I HN 0.077 nan 8.210 nan 0.000 0.411 255 Q N 0.876 120.661 119.800 -0.026 0.000 2.814 255 Q HA 0.694 5.055 4.340 0.034 0.000 0.283 255 Q C -0.087 176.070 176.000 0.261 0.000 1.071 255 Q CA -0.449 55.398 55.803 0.073 0.000 0.849 255 Q CB 2.035 30.728 28.738 -0.074 0.000 1.437 255 Q HN 0.275 nan 8.270 nan 0.000 0.492 256 G N -0.575 108.391 108.800 0.277 0.000 3.364 256 G HA2 0.461 4.442 3.960 0.034 0.000 0.191 256 G HA3 0.461 4.442 3.960 0.034 0.000 0.191 256 G C -0.384 174.552 174.900 0.059 0.000 1.352 256 G CA -0.116 45.180 45.100 0.327 0.000 0.758 256 G HN 0.584 nan 8.290 nan 0.000 0.730 257 G N 1.996 110.892 108.800 0.159 0.000 2.380 257 G HA2 0.471 4.451 3.960 0.034 0.000 0.242 257 G HA3 0.471 4.451 3.960 0.034 0.000 0.242 257 G C -2.036 172.923 174.900 0.098 0.000 1.298 257 G CA -0.220 44.941 45.100 0.102 0.000 0.878 257 G HN 0.386 nan 8.290 nan 0.000 0.542 258 P HA 0.201 nan 4.420 nan 0.000 0.276 258 P C -0.143 177.218 177.300 0.100 0.000 1.252 258 P CA -0.558 62.567 63.100 0.041 0.000 0.802 258 P CB 1.263 32.907 31.700 -0.092 0.000 1.035 259 L N 2.365 123.645 121.223 0.095 0.000 2.356 259 L HA 0.137 4.497 4.340 0.034 0.000 0.282 259 L C 1.804 178.621 176.870 -0.090 0.000 1.132 259 L CA -0.488 54.337 54.840 -0.025 0.000 0.923 259 L CB -0.054 41.897 42.059 -0.181 0.000 1.278 259 L HN 0.232 nan 8.230 nan 0.000 0.436 260 M N 1.365 121.008 119.600 0.072 0.000 2.159 260 M HA -0.148 4.352 4.480 0.034 0.000 0.263 260 M C 2.387 178.722 176.300 0.058 0.000 1.063 260 M CA 1.522 56.856 55.300 0.056 0.000 1.110 260 M CB -1.099 31.547 32.600 0.077 0.000 1.374 260 M HN 0.637 nan 8.290 nan 0.000 0.411 261 H N -0.574 118.488 119.070 -0.012 0.000 2.387 261 H HA 0.001 4.568 4.556 0.017 0.000 0.299 261 H C 2.088 177.398 175.328 -0.031 0.000 1.090 261 H CA 1.540 57.575 56.048 -0.021 0.000 1.332 261 H CB -1.486 28.264 29.762 -0.020 0.000 1.386 261 H HN 0.254 nan 8.280 nan 0.000 0.516 262 V N 1.596 121.218 119.914 -0.487 0.000 2.427 262 V HA -0.167 3.973 4.120 0.034 0.000 0.248 262 V C 2.987 178.972 176.094 -0.181 0.000 1.051 262 V CA 1.415 63.532 62.300 -0.305 0.000 1.048 262 V CB -0.550 31.075 31.823 -0.330 0.000 0.666 262 V HN 0.248 nan 8.190 nan 0.000 0.456 263 I N 0.615 121.096 120.570 -0.147 0.000 2.226 263 I HA -0.238 3.953 4.170 0.034 0.000 0.245 263 I C 2.714 178.761 176.117 -0.117 0.000 1.100 263 I CA 1.401 62.636 61.300 -0.107 0.000 1.374 263 I CB -0.588 37.379 38.000 -0.055 0.000 1.057 263 I HN 0.294 nan 8.210 nan 0.000 0.413 264 A N 0.910 123.685 122.820 -0.076 0.000 1.892 264 A HA -0.260 4.080 4.320 0.034 0.000 0.218 264 A C 2.541 180.057 177.584 -0.113 0.000 1.188 264 A CA 2.196 54.194 52.037 -0.064 0.000 0.631 264 A CB -0.924 18.068 19.000 -0.013 0.000 0.822 264 A HN 0.453 nan 8.150 nan 0.000 0.447 265 A N -0.486 122.263 122.820 -0.119 0.000 1.933 265 A HA -0.150 4.190 4.320 0.034 0.000 0.218 265 A C 2.092 179.526 177.584 -0.252 0.000 1.175 265 A CA 1.790 53.744 52.037 -0.138 0.000 0.628 265 A CB -0.415 18.523 19.000 -0.103 0.000 0.814 265 A HN 0.579 nan 8.150 nan 0.000 0.444 266 K N -0.207 119.987 120.400 -0.344 0.000 2.032 266 K HA -0.105 4.235 4.320 0.034 0.000 0.209 266 K C 2.354 178.332 176.600 -1.037 0.000 1.048 266 K CA 1.206 57.059 56.287 -0.724 0.000 0.927 266 K CB -0.393 31.736 32.500 -0.619 0.000 0.712 266 K HN 0.433 nan 8.250 nan 0.000 0.441 267 A N 1.202 123.702 122.820 -0.532 0.000 1.892 267 A HA -0.169 4.171 4.320 0.034 0.000 0.218 267 A C 2.426 179.880 177.584 -0.216 0.000 1.188 267 A CA 1.800 53.665 52.037 -0.287 0.000 0.631 267 A CB -0.862 18.075 19.000 -0.105 0.000 0.822 267 A HN 0.089 nan 8.150 nan 0.000 0.447 268 V N -0.187 119.610 119.914 -0.195 0.000 2.255 268 V HA -0.272 3.868 4.120 0.034 0.000 0.247 268 V C 3.069 179.090 176.094 -0.122 0.000 1.051 268 V CA 2.103 64.332 62.300 -0.118 0.000 1.018 268 V CB -1.387 30.383 31.823 -0.089 0.000 0.641 268 V HN 0.638 nan 8.190 nan 0.000 0.445 269 A N -0.463 122.239 122.820 -0.196 0.000 1.902 269 A HA -0.182 4.158 4.320 0.034 0.000 0.217 269 A C 2.143 179.709 177.584 -0.029 0.000 1.181 269 A CA 1.885 53.841 52.037 -0.134 0.000 0.623 269 A CB -0.767 18.146 19.000 -0.145 0.000 0.818 269 A HN 0.553 nan 8.150 nan 0.000 0.443 270 F N -0.010 119.876 119.950 -0.108 0.000 2.134 270 F HA -0.103 4.451 4.527 0.046 0.000 0.299 270 F C 2.747 178.457 175.800 -0.150 0.000 1.097 270 F CA 0.250 58.167 58.000 -0.138 0.000 1.264 270 F CB -0.633 38.323 39.000 -0.074 0.000 1.001 270 F HN 0.366 nan 8.300 nan 0.000 0.479 271 G N 0.353 109.195 108.800 0.069 0.000 2.476 271 G HA2 -0.262 3.718 3.960 0.034 0.000 0.218 271 G HA3 -0.262 3.718 3.960 0.034 0.000 0.218 271 G C 1.378 176.267 174.900 -0.018 0.000 1.164 271 G CA 1.029 46.137 45.100 0.014 0.000 0.768 271 G HN 0.353 nan 8.290 nan 0.000 0.560 272 E N 0.490 120.665 120.200 -0.041 0.000 2.077 272 E HA -0.046 4.324 4.350 0.034 0.000 0.193 272 E C 2.900 179.436 176.600 -0.107 0.000 0.989 272 E CA 0.809 57.185 56.400 -0.041 0.000 0.800 272 E CB -0.206 29.474 29.700 -0.034 0.000 0.746 272 E HN 0.425 nan 8.360 nan 0.000 0.452 273 A N 0.911 123.528 122.820 -0.339 0.000 2.015 273 A HA -0.094 4.246 4.320 0.034 0.000 0.219 273 A C 2.083 179.523 177.584 -0.240 0.000 1.163 273 A CA 0.770 52.364 52.037 -0.739 0.000 0.646 273 A CB -0.405 18.051 19.000 -0.907 0.000 0.806 273 A HN 0.138 nan 8.150 nan 0.000 0.448 274 L N -0.549 120.599 121.223 -0.126 0.000 2.376 274 L HA -0.077 4.283 4.340 0.034 0.000 0.219 274 L C 0.960 177.839 176.870 0.015 0.000 1.133 274 L CA 0.253 55.059 54.840 -0.056 0.000 0.816 274 L CB -0.265 41.767 42.059 -0.046 0.000 0.933 274 L HN 0.491 nan 8.230 nan 0.000 0.449 275 Q N -0.193 119.637 119.800 0.051 0.000 2.354 275 Q HA -0.016 4.345 4.340 0.034 0.000 0.244 275 Q C 0.449 176.527 176.000 0.130 0.000 0.969 275 Q CA -0.588 55.266 55.803 0.084 0.000 0.885 275 Q CB 0.989 29.780 28.738 0.088 0.000 1.241 275 Q HN 0.029 nan 8.270 nan 0.000 0.461 276 D N 1.561 122.019 120.400 0.096 0.000 2.123 276 D HA -0.193 4.467 4.640 0.034 0.000 0.196 276 D C 1.275 177.646 176.300 0.119 0.000 0.992 276 D CA 1.642 55.700 54.000 0.096 0.000 0.833 276 D CB -0.118 40.720 40.800 0.065 0.000 0.954 276 D HN 0.654 nan 8.370 nan 0.000 0.455 277 D N -0.089 120.385 120.400 0.124 0.000 2.219 277 D HA -0.186 4.475 4.640 0.034 0.000 0.205 277 D C 1.969 178.377 176.300 0.180 0.000 0.970 277 D CA 0.316 54.392 54.000 0.126 0.000 0.851 277 D CB -1.014 39.848 40.800 0.103 0.000 0.943 277 D HN 0.271 nan 8.370 nan 0.000 0.488 278 F N 1.265 121.274 119.950 0.099 0.000 2.146 278 F HA -0.052 4.495 4.527 0.033 0.000 0.298 278 F C 1.990 177.899 175.800 0.183 0.000 1.096 278 F CA 1.205 59.301 58.000 0.161 0.000 1.275 278 F CB 0.036 39.104 39.000 0.113 0.000 1.008 278 F HN -0.239 nan 8.300 nan 0.000 0.480 279 K N 0.649 121.163 120.400 0.190 0.000 2.063 279 K HA -0.114 4.226 4.320 0.034 0.000 0.208 279 K C 2.273 178.856 176.600 -0.028 0.000 1.048 279 K CA 1.432 57.758 56.287 0.066 0.000 0.928 279 K CB -0.963 31.596 32.500 0.098 0.000 0.713 279 K HN 0.336 nan 8.250 nan 0.000 0.442 280 A N -0.013 122.817 122.820 0.015 0.000 1.902 280 A HA -0.202 4.138 4.320 0.034 0.000 0.217 280 A C 2.146 179.714 177.584 -0.026 0.000 1.181 280 A CA 1.572 53.613 52.037 0.007 0.000 0.623 280 A CB -0.913 18.113 19.000 0.044 0.000 0.818 280 A HN 0.437 nan 8.150 nan 0.000 0.443 281 Y N 0.922 121.131 120.300 -0.152 0.000 2.081 281 Y HA -0.205 4.369 4.550 0.039 0.000 0.280 281 Y C 2.599 178.342 175.900 -0.263 0.000 1.163 281 Y CA 1.649 59.625 58.100 -0.207 0.000 1.135 281 Y CB -0.847 37.444 38.460 -0.281 0.000 0.970 281 Y HN 0.288 nan 8.280 nan 0.000 0.498 282 A N 0.528 122.909 122.820 -0.733 0.000 1.940 282 A HA -0.236 4.105 4.320 0.034 0.000 0.219 282 A C 2.376 179.739 177.584 -0.368 0.000 1.176 282 A CA 2.000 53.624 52.037 -0.688 0.000 0.631 282 A CB -0.854 17.864 19.000 -0.469 0.000 0.814 282 A HN 0.584 nan 8.150 nan 0.000 0.446 283 K N -0.428 119.836 120.400 -0.226 0.000 2.057 283 K HA -0.132 4.208 4.320 0.034 0.000 0.206 283 K C 2.264 178.790 176.600 -0.123 0.000 1.050 283 K CA 1.225 57.439 56.287 -0.122 0.000 0.935 283 K CB -0.180 32.282 32.500 -0.062 0.000 0.715 283 K HN 0.456 nan 8.250 nan 0.000 0.439 284 R N 0.246 120.658 120.500 -0.147 0.000 2.096 284 R HA -0.104 4.256 4.340 0.034 0.000 0.235 284 R C 2.285 178.503 176.300 -0.136 0.000 1.127 284 R CA 1.306 57.344 56.100 -0.103 0.000 0.968 284 R CB -0.389 29.883 30.300 -0.048 0.000 0.861 284 R HN 0.065 nan 8.270 nan 0.000 0.440 285 V N 0.618 120.360 119.914 -0.287 0.000 2.255 285 V HA -0.243 3.897 4.120 0.034 0.000 0.247 285 V C 2.382 178.423 176.094 -0.088 0.000 1.051 285 V CA 1.819 63.982 62.300 -0.229 0.000 1.018 285 V CB -0.392 31.200 31.823 -0.386 0.000 0.641 285 V HN 0.122 nan 8.190 nan 0.000 0.445 286 V N 0.042 119.906 119.914 -0.083 0.000 2.307 286 V HA -0.224 3.916 4.120 0.034 0.000 0.245 286 V C 2.287 178.372 176.094 -0.014 0.000 1.045 286 V CA 2.097 64.385 62.300 -0.019 0.000 1.024 286 V CB -0.752 31.067 31.823 -0.008 0.000 0.651 286 V HN 0.533 nan 8.190 nan 0.000 0.449 287 D N 0.412 120.798 120.400 -0.025 0.000 2.123 287 D HA -0.158 4.503 4.640 0.034 0.000 0.196 287 D C 2.067 178.368 176.300 0.002 0.000 0.992 287 D CA 1.281 55.276 54.000 -0.009 0.000 0.833 287 D CB -0.433 40.361 40.800 -0.011 0.000 0.954 287 D HN 0.350 nan 8.370 nan 0.000 0.455 288 N N 0.448 119.150 118.700 0.003 0.000 2.120 288 N HA -0.082 4.678 4.740 0.034 0.000 0.188 288 N C 1.696 177.220 175.510 0.023 0.000 1.024 288 N CA 1.262 54.327 53.050 0.025 0.000 0.852 288 N CB -0.385 38.127 38.487 0.041 0.000 1.003 288 N HN 0.141 nan 8.380 nan 0.000 0.424 289 A N 0.886 123.713 122.820 0.012 0.000 1.902 289 A HA -0.141 4.199 4.320 0.034 0.000 0.217 289 A C 2.217 179.802 177.584 0.002 0.000 1.181 289 A CA 1.550 53.590 52.037 0.005 0.000 0.623 289 A CB -0.441 18.561 19.000 0.002 0.000 0.818 289 A HN 0.251 nan 8.150 nan 0.000 0.443 290 K N -0.718 119.684 120.400 0.004 0.000 2.026 290 K HA -0.186 4.154 4.320 0.034 0.000 0.208 290 K C 2.310 178.916 176.600 0.010 0.000 1.048 290 K CA 1.683 57.972 56.287 0.004 0.000 0.929 290 K CB -0.129 32.373 32.500 0.003 0.000 0.713 290 K HN 0.305 nan 8.250 nan 0.000 0.439 291 R N 0.612 121.121 120.500 0.015 0.000 2.073 291 R HA -0.094 4.267 4.340 0.034 0.000 0.234 291 R C 2.062 178.378 176.300 0.027 0.000 1.134 291 R CA 1.311 57.424 56.100 0.021 0.000 0.952 291 R CB -0.838 29.476 30.300 0.023 0.000 0.850 291 R HN 0.249 nan 8.270 nan 0.000 0.433 292 L N 0.329 121.568 121.223 0.027 0.000 2.046 292 L HA 0.003 4.363 4.340 0.034 0.000 0.208 292 L C 2.100 178.985 176.870 0.024 0.000 1.077 292 L CA 2.227 57.084 54.840 0.029 0.000 0.747 292 L CB -1.127 40.947 42.059 0.026 0.000 0.896 292 L HN 0.287 nan 8.230 nan 0.000 0.432 293 A N -1.370 121.458 122.820 0.014 0.000 1.865 293 A HA -0.240 4.100 4.320 0.034 0.000 0.217 293 A C 2.397 180.003 177.584 0.036 0.000 1.191 293 A CA 2.312 54.359 52.037 0.016 0.000 0.623 293 A CB -1.169 17.833 19.000 0.003 0.000 0.826 293 A HN 0.530 nan 8.150 nan 0.000 0.444 294 S N -0.215 115.503 115.700 0.030 0.000 2.370 294 S HA -0.074 4.416 4.470 0.034 0.000 0.226 294 S C 2.290 176.918 174.600 0.047 0.000 1.033 294 S CA 1.314 59.535 58.200 0.034 0.000 1.011 294 S CB -0.524 62.690 63.200 0.024 0.000 0.852 294 S HN 0.825 nan 8.310 nan 0.000 0.457 295 A N 1.198 124.047 122.820 0.049 0.000 1.930 295 A HA 0.024 4.365 4.320 0.034 0.000 0.217 295 A C 2.119 179.764 177.584 0.103 0.000 1.175 295 A CA 1.042 53.116 52.037 0.062 0.000 0.627 295 A CB -0.660 18.372 19.000 0.053 0.000 0.815 295 A HN 0.443 nan 8.150 nan 0.000 0.443 296 L N -0.908 120.387 121.223 0.121 0.000 2.046 296 L HA -0.265 4.096 4.340 0.034 0.000 0.208 296 L C 2.907 179.942 176.870 0.275 0.000 1.077 296 L CA 1.663 56.643 54.840 0.234 0.000 0.747 296 L CB -0.552 41.582 42.059 0.125 0.000 0.896 296 L HN 0.475 nan 8.230 nan 0.000 0.432 297 Q N -0.453 119.439 119.800 0.153 0.000 2.096 297 Q HA -0.250 4.111 4.340 0.034 0.000 0.204 297 Q C 2.047 178.082 176.000 0.059 0.000 0.982 297 Q CA 1.695 57.561 55.803 0.104 0.000 0.850 297 Q CB -0.341 28.438 28.738 0.067 0.000 0.901 297 Q HN 0.503 nan 8.270 nan 0.000 0.422 298 N N 0.428 119.161 118.700 0.055 0.000 2.205 298 N HA -0.190 4.571 4.740 0.034 0.000 0.186 298 N C 1.118 176.632 175.510 0.006 0.000 1.015 298 N CA 0.862 53.928 53.050 0.027 0.000 0.862 298 N CB 0.213 38.718 38.487 0.031 0.000 0.986 298 N HN 0.217 nan 8.380 nan 0.000 0.429 299 E N -0.341 119.877 120.200 0.030 0.000 2.482 299 E HA 0.005 4.375 4.350 0.034 0.000 0.196 299 E C 1.125 177.566 176.600 -0.265 0.000 1.047 299 E CA 0.682 57.052 56.400 -0.050 0.000 0.869 299 E CB -0.022 29.736 29.700 0.097 0.000 0.836 299 E HN 0.604 nan 8.360 nan 0.000 0.520 300 G N 0.820 109.502 108.800 -0.196 0.000 2.163 300 G HA2 -0.233 3.748 3.960 0.034 0.000 0.213 300 G HA3 -0.233 3.748 3.960 0.034 0.000 0.213 300 G C -0.027 174.705 174.900 -0.280 0.000 0.991 300 G CA -0.314 44.638 45.100 -0.246 0.000 0.653 300 G HN 0.129 nan 8.290 nan 0.000 0.518 301 F N 1.928 121.883 119.950 0.008 0.000 2.429 301 F HA 0.547 5.095 4.527 0.035 0.000 0.348 301 F C 1.239 177.046 175.800 0.010 0.000 1.109 301 F CA 0.151 58.156 58.000 0.008 0.000 1.232 301 F CB 1.092 40.096 39.000 0.007 0.000 1.157 301 F HN -0.079 nan 8.300 nan 0.000 0.564 302 T N 4.762 119.447 114.554 0.217 0.000 2.806 302 T HA 0.533 4.904 4.350 0.034 0.000 0.290 302 T C -0.140 174.633 174.700 0.121 0.000 0.966 302 T CA -0.511 61.669 62.100 0.134 0.000 1.060 302 T CB 0.348 69.278 68.868 0.104 0.000 0.927 302 T HN 0.272 nan 8.240 nan 0.000 0.485 303 L N 3.005 124.283 121.223 0.092 0.000 2.317 303 L HA 0.489 4.849 4.340 0.034 0.000 0.281 303 L C 0.168 177.083 176.870 0.074 0.000 1.024 303 L CA -1.334 53.540 54.840 0.057 0.000 0.810 303 L CB 1.513 43.596 42.059 0.040 0.000 1.240 303 L HN 0.323 nan 8.230 nan 0.000 0.427 304 V N 2.861 122.791 119.914 0.028 0.000 2.617 304 V HA -0.100 4.041 4.120 0.034 0.000 0.304 304 V C 1.210 177.397 176.094 0.156 0.000 1.040 304 V CA 1.308 63.627 62.300 0.032 0.000 1.149 304 V CB 0.899 32.642 31.823 -0.133 0.000 0.914 304 V HN 1.186 nan 8.190 nan 0.000 0.487 305 S N 2.470 118.430 115.700 0.434 0.000 2.981 305 S HA -0.233 4.258 4.470 0.034 0.000 0.274 305 S C 1.351 175.997 174.600 0.078 0.000 1.297 305 S CA 1.234 59.549 58.200 0.192 0.000 1.266 305 S CB -1.974 61.273 63.200 0.078 0.000 1.542 305 S HN 2.850 nan 8.310 nan 0.000 0.674 306 G N -0.487 108.366 108.800 0.088 0.000 2.148 306 G HA2 0.304 4.285 3.960 0.034 0.000 0.254 306 G HA3 0.304 4.285 3.960 0.034 0.000 0.254 306 G C 1.030 175.944 174.900 0.024 0.000 0.981 306 G CA 0.646 45.774 45.100 0.046 0.000 0.670 306 G HN 2.633 nan 8.290 nan 0.000 0.528 307 G N -2.710 106.097 108.800 0.012 0.000 2.441 307 G HA2 0.654 4.634 3.960 0.034 0.000 0.222 307 G HA3 0.654 4.634 3.960 0.034 0.000 0.222 307 G C -0.591 174.289 174.900 -0.034 0.000 1.254 307 G CA 0.879 45.975 45.100 -0.006 0.000 0.959 307 G HN 1.844 nan 8.290 nan 0.000 0.474 308 T N -0.976 113.555 114.554 -0.038 0.000 2.932 308 T HA 0.560 4.930 4.350 0.034 0.000 0.318 308 T C -1.145 173.533 174.700 -0.038 0.000 1.265 308 T CA 0.033 62.098 62.100 -0.058 0.000 1.036 308 T CB 1.871 70.703 68.868 -0.060 0.000 1.209 308 T HN 0.299 nan 8.240 nan 0.000 0.484 309 D N 2.071 122.448 120.400 -0.039 0.000 2.398 309 D HA 0.197 4.857 4.640 0.034 0.000 0.210 309 D C 0.670 177.001 176.300 0.052 0.000 1.094 309 D CA 0.266 54.264 54.000 -0.003 0.000 0.839 309 D CB 0.495 41.286 40.800 -0.014 0.000 0.963 309 D HN 0.671 nan 8.370 nan 0.000 0.506 310 N N -0.863 117.874 118.700 0.062 0.000 3.614 310 N HA -0.023 4.737 4.740 0.034 0.000 0.341 310 N C 0.860 176.456 175.510 0.143 0.000 1.567 310 N CA -0.360 52.789 53.050 0.165 0.000 0.641 310 N CB -0.162 38.503 38.487 0.298 0.000 2.734 310 N HN -0.150 nan 8.380 nan 0.000 0.604 311 H N -0.864 118.223 119.070 0.030 0.000 2.548 311 H HA 0.357 4.934 4.556 0.034 0.000 0.265 311 H C 0.007 175.345 175.328 0.017 0.000 0.969 311 H CA -0.136 55.919 56.048 0.013 0.000 1.155 311 H CB -0.429 29.350 29.762 0.028 0.000 1.394 311 H HN 0.517 nan 8.280 nan 0.000 0.570 312 L N -0.214 120.737 121.223 -0.454 0.000 2.350 312 L HA 0.689 5.049 4.340 0.034 0.000 0.260 312 L C -1.221 175.519 176.870 -0.217 0.000 1.015 312 L CA -1.601 53.002 54.840 -0.394 0.000 0.821 312 L CB 2.325 44.026 42.059 -0.596 0.000 1.370 312 L HN 0.015 nan 8.230 nan 0.000 0.416 313 L N 0.048 121.177 121.223 -0.158 0.000 2.415 313 L HA 0.846 5.206 4.340 0.034 0.000 0.256 313 L C -1.576 175.231 176.870 -0.106 0.000 1.010 313 L CA -0.808 53.964 54.840 -0.113 0.000 0.826 313 L CB 2.027 44.038 42.059 -0.079 0.000 1.405 313 L HN 0.661 nan 8.230 nan 0.000 0.410 314 L N 1.868 123.038 121.223 -0.089 0.000 2.356 314 L HA 0.682 5.042 4.340 0.034 0.000 0.277 314 L C -0.846 175.982 176.870 -0.070 0.000 0.996 314 L CA -0.957 53.832 54.840 -0.085 0.000 0.822 314 L CB 2.231 44.239 42.059 -0.086 0.000 1.256 314 L HN 0.483 nan 8.230 nan 0.000 0.413 315 V N 1.731 121.595 119.914 -0.082 0.000 2.406 315 V HA 0.136 4.277 4.120 0.034 0.000 0.272 315 V C -0.155 175.919 176.094 -0.034 0.000 1.043 315 V CA -0.432 61.828 62.300 -0.068 0.000 0.915 315 V CB 1.476 33.199 31.823 -0.166 0.000 0.988 315 V HN 0.620 nan 8.190 nan 0.000 0.466 316 D N 4.622 125.027 120.400 0.008 0.000 2.365 316 D HA 0.212 4.872 4.640 0.034 0.000 0.237 316 D C 0.653 176.992 176.300 0.064 0.000 1.190 316 D CA -0.071 53.939 54.000 0.017 0.000 0.867 316 D CB 1.153 41.966 40.800 0.021 0.000 1.050 316 D HN 0.448 nan 8.370 nan 0.000 0.491 317 L N 3.587 124.842 121.223 0.054 0.000 2.591 317 L HA 0.145 4.505 4.340 0.034 0.000 0.228 317 L C 2.325 179.242 176.870 0.079 0.000 1.133 317 L CA -0.070 54.823 54.840 0.089 0.000 0.880 317 L CB -0.029 42.068 42.059 0.063 0.000 1.033 317 L HN 0.296 nan 8.230 nan 0.000 0.450 318 R N 0.602 121.137 120.500 0.059 0.000 2.103 318 R HA -0.179 4.181 4.340 0.034 0.000 0.242 318 R C -0.357 175.972 176.300 0.049 0.000 1.142 318 R CA 1.573 57.702 56.100 0.049 0.000 0.960 318 R CB -1.545 28.781 30.300 0.043 0.000 0.858 318 R HN 0.313 nan 8.270 nan 0.000 0.439 319 P HA -0.143 nan 4.420 nan 0.000 0.218 319 P C 0.600 177.918 177.300 0.030 0.000 1.148 319 P CA 1.269 64.391 63.100 0.037 0.000 0.822 319 P CB 0.120 31.842 31.700 0.036 0.000 0.784 320 Q N -1.183 118.649 119.800 0.053 0.000 2.403 320 Q HA 0.085 4.445 4.340 0.034 0.000 0.203 320 Q C 0.348 176.375 176.000 0.046 0.000 0.932 320 Q CA 0.197 56.030 55.803 0.050 0.000 0.945 320 Q CB -0.526 28.274 28.738 0.103 0.000 1.045 320 Q HN 0.122 nan 8.270 nan 0.000 0.511 321 Q N -0.355 119.470 119.800 0.042 0.000 2.457 321 Q HA -0.217 4.143 4.340 0.034 0.000 0.283 321 Q C -0.959 175.065 176.000 0.040 0.000 1.234 321 Q CA 0.760 56.585 55.803 0.036 0.000 0.877 321 Q CB -1.905 26.849 28.738 0.027 0.000 1.250 321 Q HN 0.405 nan 8.270 nan 0.000 0.481 322 L N 0.028 121.281 121.223 0.050 0.000 2.342 322 L HA 0.504 4.864 4.340 0.034 0.000 0.271 322 L C 1.006 177.900 176.870 0.040 0.000 1.008 322 L CA -0.631 54.238 54.840 0.048 0.000 0.818 322 L CB 1.829 43.925 42.059 0.062 0.000 1.296 322 L HN 0.095 nan 8.230 nan 0.000 0.427 323 T N -1.786 112.788 114.554 0.033 0.000 2.899 323 T HA 0.265 4.635 4.350 0.034 0.000 0.284 323 T C 1.227 175.939 174.700 0.019 0.000 1.004 323 T CA -0.117 61.998 62.100 0.026 0.000 1.043 323 T CB 1.636 70.521 68.868 0.028 0.000 1.013 323 T HN 0.700 nan 8.240 nan 0.000 0.518 324 G N 0.269 109.075 108.800 0.009 0.000 2.422 324 G HA2 -0.208 3.772 3.960 0.034 0.000 0.218 324 G HA3 -0.208 3.772 3.960 0.034 0.000 0.218 324 G C 1.365 176.267 174.900 0.003 0.000 1.146 324 G CA 0.899 45.997 45.100 -0.003 0.000 0.769 324 G HN 0.850 nan 8.290 nan 0.000 0.547 325 K N -0.206 120.203 120.400 0.015 0.000 2.026 325 K HA -0.104 4.237 4.320 0.034 0.000 0.208 325 K C 2.564 179.176 176.600 0.020 0.000 1.048 325 K CA 1.765 58.065 56.287 0.022 0.000 0.929 325 K CB -0.323 32.199 32.500 0.036 0.000 0.713 325 K HN 0.260 nan 8.250 nan 0.000 0.439 326 T N 0.663 115.230 114.554 0.022 0.000 2.708 326 T HA -0.111 4.259 4.350 0.034 0.000 0.266 326 T C 1.837 176.549 174.700 0.020 0.000 1.037 326 T CA 1.320 63.434 62.100 0.023 0.000 1.146 326 T CB -0.295 68.589 68.868 0.027 0.000 0.865 326 T HN 0.429 nan 8.240 nan 0.000 0.435 327 A N 1.412 124.242 122.820 0.016 0.000 1.877 327 A HA -0.150 4.190 4.320 0.034 0.000 0.216 327 A C 2.220 179.803 177.584 -0.000 0.000 1.186 327 A CA 1.976 54.018 52.037 0.008 0.000 0.620 327 A CB -0.693 18.304 19.000 -0.006 0.000 0.822 327 A HN 0.633 nan 8.150 nan 0.000 0.443 328 E N 0.004 120.202 120.200 -0.002 0.000 2.085 328 E HA -0.289 4.082 4.350 0.034 0.000 0.194 328 E C 2.086 178.690 176.600 0.007 0.000 0.994 328 E CA 1.733 58.132 56.400 -0.002 0.000 0.801 328 E CB -0.178 29.522 29.700 -0.001 0.000 0.743 328 E HN 0.642 nan 8.360 nan 0.000 0.453 329 K N 0.251 120.658 120.400 0.012 0.000 2.002 329 K HA -0.129 4.211 4.320 0.034 0.000 0.209 329 K C 2.172 178.782 176.600 0.016 0.000 1.048 329 K CA 1.426 57.722 56.287 0.016 0.000 0.930 329 K CB -0.230 32.281 32.500 0.018 0.000 0.714 329 K HN 0.142 nan 8.250 nan 0.000 0.438 330 V N 1.383 121.308 119.914 0.018 0.000 2.453 330 V HA -0.158 3.982 4.120 0.034 0.000 0.247 330 V C 2.087 178.193 176.094 0.019 0.000 1.048 330 V CA 1.332 63.645 62.300 0.020 0.000 1.049 330 V CB -0.185 31.653 31.823 0.025 0.000 0.672 330 V HN 0.348 nan 8.190 nan 0.000 0.457 331 L N 0.169 121.400 121.223 0.014 0.000 2.046 331 L HA -0.202 4.158 4.340 0.034 0.000 0.208 331 L C 2.367 179.246 176.870 0.015 0.000 1.077 331 L CA 2.302 57.149 54.840 0.012 0.000 0.747 331 L CB -0.727 41.332 42.059 -0.001 0.000 0.896 331 L HN 0.462 nan 8.230 nan 0.000 0.432 332 D N 0.121 120.529 120.400 0.014 0.000 2.149 332 D HA -0.236 4.424 4.640 0.034 0.000 0.198 332 D C 1.981 178.292 176.300 0.019 0.000 0.990 332 D CA 1.235 55.245 54.000 0.017 0.000 0.839 332 D CB 0.113 40.923 40.800 0.016 0.000 0.948 332 D HN 0.325 nan 8.370 nan 0.000 0.460 333 E N -0.586 119.625 120.200 0.019 0.000 2.265 333 E HA -0.122 4.249 4.350 0.034 0.000 0.196 333 E C 1.951 178.564 176.600 0.021 0.000 0.996 333 E CA 1.142 57.554 56.400 0.019 0.000 0.832 333 E CB 0.182 29.893 29.700 0.019 0.000 0.756 333 E HN 0.459 nan 8.360 nan 0.000 0.491 334 V N -3.826 116.102 119.914 0.023 0.000 3.578 334 V HA 0.464 4.605 4.120 0.034 0.000 0.290 334 V C 1.048 177.159 176.094 0.028 0.000 1.376 334 V CA 0.414 62.730 62.300 0.025 0.000 1.083 334 V CB 0.350 32.189 31.823 0.028 0.000 0.911 334 V HN 0.219 nan 8.190 nan 0.000 0.433 335 G N 0.980 109.796 108.800 0.027 0.000 2.134 335 G HA2 -0.182 3.799 3.960 0.034 0.000 0.209 335 G HA3 -0.182 3.799 3.960 0.034 0.000 0.209 335 G C -0.216 174.703 174.900 0.033 0.000 0.993 335 G CA 0.153 45.271 45.100 0.030 0.000 0.669 335 G HN 0.600 nan 8.290 nan 0.000 0.519 336 I N 1.845 122.432 120.570 0.029 0.000 2.339 336 I HA 0.373 4.564 4.170 0.034 0.000 0.290 336 I C 0.097 176.224 176.117 0.018 0.000 0.994 336 I CA -0.565 60.751 61.300 0.027 0.000 1.191 336 I CB 1.819 39.834 38.000 0.024 0.000 1.343 336 I HN 0.013 nan 8.210 nan 0.000 0.458 337 T N 6.543 121.108 114.554 0.017 0.000 2.753 337 T HA 0.479 4.849 4.350 0.034 0.000 0.297 337 T C 0.041 174.742 174.700 0.002 0.000 0.981 337 T CA -0.524 61.583 62.100 0.012 0.000 0.956 337 T CB 0.875 69.754 68.868 0.019 0.000 0.936 337 T HN 0.443 nan 8.240 nan 0.000 0.463 338 V N 1.174 121.085 119.914 -0.005 0.000 3.164 338 V HA 0.790 4.931 4.120 0.034 0.000 0.313 338 V C -0.942 175.146 176.094 -0.011 0.000 1.188 338 V CA -1.389 60.902 62.300 -0.015 0.000 1.058 338 V CB 2.355 34.158 31.823 -0.033 0.000 1.110 338 V HN 0.858 nan 8.190 nan 0.000 0.453 339 N N 0.105 118.795 118.700 -0.017 0.000 2.258 339 N HA 0.334 5.094 4.740 0.034 0.000 0.299 339 N C -0.749 174.744 175.510 -0.028 0.000 1.047 339 N CA -0.788 52.252 53.050 -0.016 0.000 0.814 339 N CB 2.564 41.046 38.487 -0.008 0.000 1.413 339 N HN 1.001 nan 8.380 nan 0.000 0.478 340 K N 1.375 121.760 120.400 -0.024 0.000 2.518 340 K HA -0.002 4.338 4.320 0.034 0.000 0.276 340 K C -0.962 175.611 176.600 -0.045 0.000 0.974 340 K CA 0.143 56.412 56.287 -0.030 0.000 0.986 340 K CB 0.237 32.727 32.500 -0.018 0.000 0.901 340 K HN 0.715 nan 8.250 nan 0.000 0.497 341 N N 0.759 119.427 118.700 -0.052 0.000 2.452 341 N HA 0.115 4.876 4.740 0.034 0.000 0.277 341 N C -1.718 173.753 175.510 -0.065 0.000 1.078 341 N CA -0.500 52.511 53.050 -0.064 0.000 0.947 341 N CB 1.986 40.436 38.487 -0.063 0.000 1.655 341 N HN 0.643 nan 8.380 nan 0.000 0.490 342 T N 2.864 117.372 114.554 -0.076 0.000 2.946 342 T HA 0.187 4.558 4.350 0.034 0.000 0.312 342 T C 0.499 175.156 174.700 -0.071 0.000 1.066 342 T CA 0.244 62.303 62.100 -0.068 0.000 1.138 342 T CB -0.261 68.561 68.868 -0.076 0.000 1.014 342 T HN 0.413 nan 8.240 nan 0.000 0.544 343 I N 0.706 121.231 120.570 -0.075 0.000 2.707 343 I HA 0.630 4.821 4.170 0.034 0.000 0.309 343 I C -2.798 173.233 176.117 -0.144 0.000 1.001 343 I CA -3.601 57.628 61.300 -0.118 0.000 1.129 343 I CB 1.262 39.187 38.000 -0.126 0.000 1.308 343 I HN 0.278 nan 8.210 nan 0.000 0.466 344 P HA 0.032 nan 4.420 nan 0.000 0.262 344 P C -1.243 175.953 177.300 -0.172 0.000 1.182 344 P CA 0.700 63.538 63.100 -0.438 0.000 0.761 344 P CB -0.204 31.227 31.700 -0.448 0.000 0.795 345 Y N -0.756 119.487 120.300 -0.096 0.000 3.929 345 Y HA -0.257 4.313 4.550 0.034 0.000 0.225 345 Y C 0.788 176.693 175.900 0.008 0.000 1.200 345 Y CA 0.320 58.426 58.100 0.012 0.000 1.791 345 Y CB -2.405 36.060 38.460 0.008 0.000 1.561 345 Y HN 0.384 nan 8.280 nan 0.000 0.657 346 D N 2.160 122.589 120.400 0.049 0.000 2.450 346 D HA 0.038 4.699 4.640 0.034 0.000 0.247 346 D C -0.812 175.521 176.300 0.055 0.000 1.162 346 D CA -1.052 52.970 54.000 0.036 0.000 0.879 346 D CB 1.114 41.912 40.800 -0.002 0.000 1.163 346 D HN 0.161 nan 8.370 nan 0.000 0.472 347 P HA 0.004 nan 4.420 nan 0.000 0.233 347 P C -0.026 177.300 177.300 0.044 0.000 1.167 347 P CA 0.499 63.631 63.100 0.054 0.000 0.770 347 P CB 0.611 32.341 31.700 0.050 0.000 0.837 348 E N 0.453 120.675 120.200 0.037 0.000 2.250 348 E HA 0.245 4.615 4.350 0.034 0.000 0.269 348 E C 0.441 177.066 176.600 0.042 0.000 1.018 348 E CA -0.468 55.955 56.400 0.039 0.000 0.873 348 E CB 1.229 30.950 29.700 0.035 0.000 1.134 348 E HN 0.056 nan 8.360 nan 0.000 0.403 349 S N 1.002 116.742 115.700 0.066 0.000 2.580 349 S HA 0.091 4.581 4.470 0.034 0.000 0.266 349 S C -1.654 172.976 174.600 0.049 0.000 1.354 349 S CA -0.898 57.360 58.200 0.096 0.000 1.008 349 S CB 0.603 63.918 63.200 0.190 0.000 0.898 349 S HN 0.258 nan 8.310 nan 0.000 0.555 350 P HA 0.018 nan 4.420 nan 0.000 0.230 350 P C 0.527 177.634 177.300 -0.322 0.000 1.158 350 P CA 0.922 63.890 63.100 -0.220 0.000 0.769 350 P CB -0.231 31.250 31.700 -0.364 0.000 0.807 351 F N -1.538 118.402 119.950 -0.018 0.000 2.776 351 F HA 0.036 4.583 4.527 0.034 0.000 0.300 351 F C 2.081 177.875 175.800 -0.009 0.000 1.116 351 F CA 0.368 58.360 58.000 -0.014 0.000 1.375 351 F CB -0.148 38.844 39.000 -0.013 0.000 1.109 351 F HN -0.260 nan 8.300 nan 0.000 0.585 352 V N -1.955 118.041 119.914 0.136 0.000 2.950 352 V HA 0.157 4.297 4.120 0.034 0.000 0.231 352 V C 0.632 176.747 176.094 0.035 0.000 1.205 352 V CA 0.846 63.194 62.300 0.080 0.000 1.239 352 V CB -0.056 31.813 31.823 0.076 0.000 1.050 352 V HN 0.368 nan 8.190 nan 0.000 0.498 353 T N -0.727 113.840 114.554 0.022 0.000 0.541 353 T HA -0.228 4.142 4.350 0.034 0.000 0.774 353 T C 0.181 174.884 174.700 0.005 0.000 0.992 353 T CA 0.399 62.497 62.100 -0.002 0.000 4.077 353 T CB -1.461 67.391 68.868 -0.027 0.000 2.303 353 T HN 0.362 nan 8.240 nan 0.000 0.398 354 S N 0.904 116.602 115.700 -0.003 0.000 2.593 354 S HA 0.577 5.067 4.470 0.034 0.000 0.236 354 S C 0.761 175.357 174.600 -0.007 0.000 0.991 354 S CA -0.027 58.176 58.200 0.004 0.000 0.963 354 S CB 0.677 63.883 63.200 0.010 0.000 0.865 354 S HN 1.221 nan 8.310 nan 0.000 0.488 355 G N 1.564 110.350 108.800 -0.023 0.000 2.680 355 G HA2 0.741 4.721 3.960 0.034 0.000 0.290 355 G HA3 0.741 4.721 3.960 0.034 0.000 0.290 355 G C -1.188 173.684 174.900 -0.046 0.000 1.355 355 G CA -0.908 44.169 45.100 -0.039 0.000 0.903 355 G HN 0.309 nan 8.290 nan 0.000 0.474 356 I N -1.921 118.610 120.570 -0.064 0.000 2.608 356 I HA 0.746 4.936 4.170 0.034 0.000 0.295 356 I C -0.387 175.682 176.117 -0.079 0.000 1.049 356 I CA -1.220 60.038 61.300 -0.070 0.000 1.063 356 I CB 2.509 40.461 38.000 -0.081 0.000 1.248 356 I HN 0.449 nan 8.210 nan 0.000 0.424 357 R N 5.524 125.984 120.500 -0.068 0.000 2.428 357 R HA 0.780 5.141 4.340 0.034 0.000 0.294 357 R C -1.504 174.757 176.300 -0.065 0.000 1.000 357 R CA -0.568 55.489 56.100 -0.072 0.000 0.960 357 R CB 1.372 31.634 30.300 -0.064 0.000 1.076 357 R HN 0.814 nan 8.270 nan 0.000 0.475 358 I N 2.322 122.847 120.570 -0.076 0.000 2.619 358 I HA 0.443 4.633 4.170 0.034 0.000 0.292 358 I C -0.148 175.930 176.117 -0.066 0.000 1.100 358 I CA -0.815 60.448 61.300 -0.062 0.000 1.043 358 I CB 2.501 40.458 38.000 -0.071 0.000 1.239 358 I HN 0.782 nan 8.210 nan 0.000 0.420 359 G N 1.339 110.121 108.800 -0.031 0.000 2.563 359 G HA2 0.504 4.484 3.960 0.034 0.000 0.302 359 G HA3 0.504 4.484 3.960 0.034 0.000 0.302 359 G C 0.091 175.006 174.900 0.025 0.000 1.301 359 G CA -0.288 44.805 45.100 -0.012 0.000 0.965 359 G HN 0.595 nan 8.290 nan 0.000 0.480 360 T N -1.940 112.644 114.554 0.050 0.000 3.054 360 T HA 0.367 4.738 4.350 0.034 0.000 0.255 360 T C 2.121 176.855 174.700 0.057 0.000 1.035 360 T CA 1.168 63.295 62.100 0.046 0.000 0.941 360 T CB 0.688 69.580 68.868 0.040 0.000 1.026 360 T HN 0.716 nan 8.240 nan 0.000 0.533 361 A N 1.845 124.718 122.820 0.088 0.000 1.908 361 A HA 0.271 4.611 4.320 0.034 0.000 0.218 361 A C 2.687 180.358 177.584 0.145 0.000 1.181 361 A CA 1.776 53.881 52.037 0.114 0.000 0.627 361 A CB -1.304 17.769 19.000 0.122 0.000 0.818 361 A HN 0.723 nan 8.150 nan 0.000 0.445 362 A N -0.157 122.676 122.820 0.021 0.000 1.854 362 A HA 0.044 4.385 4.320 0.034 0.000 0.214 362 A C 2.323 179.969 177.584 0.103 0.000 1.192 362 A CA 2.106 54.105 52.037 -0.062 0.000 0.611 362 A CB -1.272 17.538 19.000 -0.316 0.000 0.832 362 A HN 1.113 nan 8.150 nan 0.000 0.442 363 V N -2.308 117.586 119.914 -0.033 0.000 2.490 363 V HA -0.175 3.966 4.120 0.034 0.000 0.250 363 V C 2.160 178.198 176.094 -0.093 0.000 1.061 363 V CA 2.629 64.754 62.300 -0.292 0.000 1.064 363 V CB -1.935 29.632 31.823 -0.426 0.000 0.670 363 V HN 0.423 nan 8.190 nan 0.000 0.461 364 T N 0.562 115.174 114.554 0.097 0.000 2.746 364 T HA -0.166 4.205 4.350 0.034 0.000 0.267 364 T C 1.951 176.841 174.700 0.317 0.000 1.039 364 T CA 2.263 64.490 62.100 0.211 0.000 1.142 364 T CB -0.675 68.279 68.868 0.143 0.000 0.866 364 T HN 0.641 nan 8.240 nan 0.000 0.444 365 T N 1.832 116.599 114.554 0.356 0.000 2.759 365 T HA -0.078 4.293 4.350 0.034 0.000 0.269 365 T C 1.945 176.731 174.700 0.144 0.000 1.042 365 T CA 0.950 63.170 62.100 0.199 0.000 1.140 365 T CB -0.188 68.782 68.868 0.170 0.000 0.864 365 T HN 0.368 nan 8.240 nan 0.000 0.455 366 R N 0.227 120.800 120.500 0.121 0.000 2.339 366 R HA 0.146 4.506 4.340 0.034 0.000 0.199 366 R C 1.748 178.147 176.300 0.165 0.000 1.018 366 R CA 0.573 56.696 56.100 0.038 0.000 1.036 366 R CB -0.016 30.189 30.300 -0.157 0.000 0.899 366 R HN 0.506 nan 8.270 nan 0.000 0.473 367 G N 0.250 109.178 108.800 0.213 0.000 2.159 367 G HA2 -0.268 3.713 3.960 0.034 0.000 0.227 367 G HA3 -0.268 3.713 3.960 0.034 0.000 0.227 367 G C 0.177 175.285 174.900 0.346 0.000 0.986 367 G CA -0.592 44.654 45.100 0.242 0.000 0.651 367 G HN 0.269 nan 8.290 nan 0.000 0.523 368 F N 0.939 120.931 119.950 0.070 0.000 2.563 368 F HA 0.424 4.973 4.527 0.036 0.000 0.363 368 F C 1.512 177.340 175.800 0.047 0.000 1.123 368 F CA 0.337 58.369 58.000 0.052 0.000 1.307 368 F CB 0.938 39.970 39.000 0.054 0.000 1.115 368 F HN 0.235 nan 8.300 nan 0.000 0.592 369 G N 2.014 110.909 108.800 0.158 0.000 3.262 369 G HA2 0.398 4.379 3.960 0.034 0.000 0.229 369 G HA3 0.398 4.379 3.960 0.034 0.000 0.229 369 G C 0.514 175.451 174.900 0.062 0.000 1.280 369 G CA -0.808 44.349 45.100 0.095 0.000 0.951 369 G HN 0.559 nan 8.290 nan 0.000 0.589 370 L N 0.004 121.249 121.223 0.037 0.000 2.012 370 L HA -0.087 4.273 4.340 0.034 0.000 0.210 370 L C 2.852 179.729 176.870 0.012 0.000 1.073 370 L CA 1.245 56.101 54.840 0.026 0.000 0.748 370 L CB -0.366 41.704 42.059 0.018 0.000 0.891 370 L HN 0.394 nan 8.230 nan 0.000 0.431 371 E N 0.410 120.606 120.200 -0.007 0.000 2.118 371 E HA -0.237 4.133 4.350 0.034 0.000 0.195 371 E C 2.087 178.659 176.600 -0.046 0.000 0.992 371 E CA 1.369 57.754 56.400 -0.026 0.000 0.804 371 E CB -0.192 29.484 29.700 -0.041 0.000 0.741 371 E HN 0.512 nan 8.360 nan 0.000 0.458 372 E N -0.070 120.085 120.200 -0.074 0.000 2.107 372 E HA -0.073 4.297 4.350 0.034 0.000 0.191 372 E C 1.991 178.597 176.600 0.010 0.000 0.982 372 E CA 0.668 56.992 56.400 -0.127 0.000 0.809 372 E CB -0.120 29.379 29.700 -0.335 0.000 0.756 372 E HN 0.129 nan 8.360 nan 0.000 0.459 373 M N 0.830 120.463 119.600 0.055 0.000 2.080 373 M HA -0.154 4.347 4.480 0.034 0.000 0.260 373 M C 1.374 177.702 176.300 0.048 0.000 1.068 373 M CA 1.437 56.780 55.300 0.072 0.000 1.109 373 M CB -0.969 31.670 32.600 0.064 0.000 1.342 373 M HN 0.043 nan 8.290 nan 0.000 0.405 374 D N 0.144 120.562 120.400 0.029 0.000 2.123 374 D HA -0.193 4.468 4.640 0.034 0.000 0.196 374 D C 2.010 178.327 176.300 0.027 0.000 0.992 374 D CA 1.467 55.483 54.000 0.027 0.000 0.833 374 D CB -0.212 40.596 40.800 0.014 0.000 0.954 374 D HN 0.423 nan 8.370 nan 0.000 0.455 375 E N 0.525 120.732 120.200 0.012 0.000 2.072 375 E HA -0.065 4.306 4.350 0.034 0.000 0.190 375 E C 2.153 178.773 176.600 0.033 0.000 0.982 375 E CA 0.578 56.984 56.400 0.009 0.000 0.803 375 E CB -0.338 29.346 29.700 -0.026 0.000 0.755 375 E HN 0.260 nan 8.360 nan 0.000 0.453 376 I N 0.788 121.388 120.570 0.050 0.000 2.151 376 I HA -0.336 3.855 4.170 0.034 0.000 0.243 376 I C 2.446 178.597 176.117 0.057 0.000 1.080 376 I CA 1.302 62.644 61.300 0.071 0.000 1.339 376 I CB -0.567 37.496 38.000 0.105 0.000 1.039 376 I HN 0.234 nan 8.210 nan 0.000 0.409 377 A N 0.733 123.589 122.820 0.059 0.000 1.908 377 A HA -0.216 4.125 4.320 0.034 0.000 0.218 377 A C 2.542 180.193 177.584 0.112 0.000 1.181 377 A CA 2.119 54.203 52.037 0.078 0.000 0.627 377 A CB -0.896 18.155 19.000 0.085 0.000 0.818 377 A HN 0.471 nan 8.150 nan 0.000 0.445 378 A N -0.224 122.645 122.820 0.082 0.000 1.902 378 A HA -0.054 4.287 4.320 0.034 0.000 0.217 378 A C 2.114 179.746 177.584 0.081 0.000 1.181 378 A CA 1.497 53.581 52.037 0.078 0.000 0.623 378 A CB -0.592 18.436 19.000 0.047 0.000 0.818 378 A HN 0.509 nan 8.150 nan 0.000 0.443 379 I N -0.302 120.308 120.570 0.066 0.000 2.226 379 I HA -0.248 3.942 4.170 0.034 0.000 0.245 379 I C 2.264 178.426 176.117 0.075 0.000 1.100 379 I CA 1.228 62.565 61.300 0.061 0.000 1.374 379 I CB -0.340 37.689 38.000 0.049 0.000 1.057 379 I HN 0.293 nan 8.210 nan 0.000 0.413 380 I N 0.782 121.397 120.570 0.075 0.000 2.208 380 I HA -0.235 3.955 4.170 0.034 0.000 0.245 380 I C 2.714 178.955 176.117 0.206 0.000 1.097 380 I CA 1.676 63.014 61.300 0.064 0.000 1.363 380 I CB -1.003 36.964 38.000 -0.056 0.000 1.051 380 I HN 0.285 nan 8.210 nan 0.000 0.413 381 G N 1.236 110.230 108.800 0.322 0.000 2.459 381 G HA2 -0.298 3.683 3.960 0.034 0.000 0.217 381 G HA3 -0.298 3.683 3.960 0.034 0.000 0.217 381 G C 1.652 176.654 174.900 0.170 0.000 1.183 381 G CA 0.919 46.225 45.100 0.344 0.000 0.776 381 G HN 0.282 nan 8.290 nan 0.000 0.552 382 L N 0.708 121.998 121.223 0.113 0.000 2.013 382 L HA -0.089 4.271 4.340 0.034 0.000 0.212 382 L C 2.908 179.823 176.870 0.075 0.000 1.073 382 L CA 1.737 56.619 54.840 0.071 0.000 0.753 382 L CB -0.611 41.480 42.059 0.054 0.000 0.890 382 L HN 0.103 nan 8.230 nan 0.000 0.432 383 V N -0.471 119.495 119.914 0.087 0.000 2.283 383 V HA -0.260 3.880 4.120 0.034 0.000 0.243 383 V C 2.469 178.617 176.094 0.089 0.000 1.039 383 V CA 1.954 64.298 62.300 0.073 0.000 1.016 383 V CB -0.495 31.363 31.823 0.058 0.000 0.650 383 V HN 0.438 nan 8.190 nan 0.000 0.449 384 L N -0.583 120.725 121.223 0.142 0.000 2.291 384 L HA -0.073 4.287 4.340 0.034 0.000 0.214 384 L C 2.201 179.152 176.870 0.135 0.000 1.120 384 L CA 1.188 56.128 54.840 0.167 0.000 0.799 384 L CB -0.470 41.757 42.059 0.280 0.000 0.925 384 L HN 0.313 nan 8.230 nan 0.000 0.446 385 K N 0.228 120.691 120.400 0.104 0.000 2.426 385 K HA 0.044 4.384 4.320 0.034 0.000 0.193 385 K C -0.049 176.571 176.600 0.033 0.000 1.028 385 K CA 0.327 56.639 56.287 0.041 0.000 1.047 385 K CB 0.186 32.688 32.500 0.004 0.000 0.821 385 K HN 0.289 nan 8.250 nan 0.000 0.513 386 N N -0.189 118.537 118.700 0.043 0.000 2.628 386 N HA -0.023 4.737 4.740 0.034 0.000 0.299 386 N C 0.438 175.968 175.510 0.033 0.000 1.834 386 N CA -0.088 52.980 53.050 0.031 0.000 0.871 386 N CB 1.425 39.929 38.487 0.028 0.000 1.377 386 N HN -0.106 nan 8.380 nan 0.000 0.493 387 V N -2.751 117.185 119.914 0.037 0.000 2.913 387 V HA 0.095 4.235 4.120 0.034 0.000 0.260 387 V C 1.585 177.694 176.094 0.026 0.000 1.098 387 V CA 1.894 64.214 62.300 0.034 0.000 1.121 387 V CB -0.519 31.327 31.823 0.037 0.000 0.714 387 V HN 0.328 nan 8.190 nan 0.000 0.487 388 G N -0.214 108.600 108.800 0.023 0.000 3.189 388 G HA2 0.211 4.191 3.960 0.034 0.000 0.225 388 G HA3 0.211 4.191 3.960 0.034 0.000 0.225 388 G C 0.539 175.449 174.900 0.017 0.000 1.159 388 G CA 0.632 45.743 45.100 0.018 0.000 0.763 388 G HN 0.558 nan 8.290 nan 0.000 0.549 389 S N 0.373 116.084 115.700 0.018 0.000 2.532 389 S HA 0.323 4.813 4.470 0.034 0.000 0.318 389 S C 1.031 175.642 174.600 0.017 0.000 1.083 389 S CA -0.568 57.642 58.200 0.016 0.000 1.131 389 S CB 0.868 64.078 63.200 0.016 0.000 0.973 389 S HN 0.152 nan 8.310 nan 0.000 0.468 390 E N 3.405 123.614 120.200 0.015 0.000 2.153 390 E HA -0.198 4.173 4.350 0.034 0.000 0.194 390 E C 2.163 178.772 176.600 0.015 0.000 0.988 390 E CA 1.237 57.646 56.400 0.015 0.000 0.811 390 E CB -0.093 29.615 29.700 0.013 0.000 0.746 390 E HN 0.967 nan 8.360 nan 0.000 0.466 391 Q N 0.429 120.237 119.800 0.014 0.000 2.050 391 Q HA -0.092 4.269 4.340 0.034 0.000 0.202 391 Q C 2.157 178.167 176.000 0.015 0.000 0.980 391 Q CA 1.700 57.511 55.803 0.013 0.000 0.840 391 Q CB -0.454 28.291 28.738 0.011 0.000 0.898 391 Q HN 0.130 nan 8.270 nan 0.000 0.424 392 A N 1.967 124.798 122.820 0.017 0.000 1.908 392 A HA -0.117 4.224 4.320 0.034 0.000 0.218 392 A C 2.306 179.904 177.584 0.023 0.000 1.181 392 A CA 1.481 53.530 52.037 0.021 0.000 0.627 392 A CB -0.772 18.241 19.000 0.023 0.000 0.818 392 A HN 0.391 nan 8.150 nan 0.000 0.445 393 L N -0.993 120.244 121.223 0.023 0.000 2.083 393 L HA -0.183 4.177 4.340 0.034 0.000 0.209 393 L C 2.651 179.534 176.870 0.022 0.000 1.083 393 L CA 1.711 56.566 54.840 0.024 0.000 0.752 393 L CB -0.533 41.540 42.059 0.023 0.000 0.899 393 L HN 0.473 nan 8.230 nan 0.000 0.433 394 E N 0.801 121.012 120.200 0.019 0.000 2.072 394 E HA -0.263 4.108 4.350 0.034 0.000 0.191 394 E C 2.006 178.616 176.600 0.018 0.000 0.985 394 E CA 1.457 57.868 56.400 0.017 0.000 0.801 394 E CB -0.019 29.690 29.700 0.015 0.000 0.750 394 E HN 0.418 nan 8.360 nan 0.000 0.452 395 E N -0.341 119.870 120.200 0.018 0.000 2.058 395 E HA -0.239 4.131 4.350 0.034 0.000 0.194 395 E C 1.944 178.557 176.600 0.020 0.000 0.997 395 E CA 1.228 57.639 56.400 0.017 0.000 0.801 395 E CB -0.286 29.425 29.700 0.017 0.000 0.746 395 E HN 0.324 nan 8.360 nan 0.000 0.450 396 A N 1.457 124.292 122.820 0.024 0.000 1.883 396 A HA -0.237 4.103 4.320 0.034 0.000 0.217 396 A C 2.234 179.835 177.584 0.028 0.000 1.186 396 A CA 1.769 53.823 52.037 0.029 0.000 0.624 396 A CB -0.679 18.340 19.000 0.033 0.000 0.822 396 A HN 0.259 nan 8.150 nan 0.000 0.444 397 R N -0.547 119.968 120.500 0.025 0.000 2.096 397 R HA -0.217 4.143 4.340 0.034 0.000 0.240 397 R C 2.461 178.775 176.300 0.024 0.000 1.139 397 R CA 2.085 58.200 56.100 0.025 0.000 0.952 397 R CB -0.312 30.001 30.300 0.022 0.000 0.854 397 R HN 0.732 nan 8.270 nan 0.000 0.436 398 Q N -0.566 119.246 119.800 0.020 0.000 2.124 398 Q HA -0.159 4.201 4.340 0.034 0.000 0.202 398 Q C 2.179 178.188 176.000 0.016 0.000 0.977 398 Q CA 1.535 57.349 55.803 0.018 0.000 0.850 398 Q CB -0.011 28.736 28.738 0.014 0.000 0.901 398 Q HN 0.340 nan 8.270 nan 0.000 0.429 399 R N -0.190 120.320 120.500 0.017 0.000 2.115 399 R HA -0.072 4.288 4.340 0.034 0.000 0.230 399 R C 2.288 178.599 176.300 0.018 0.000 1.111 399 R CA 0.957 57.065 56.100 0.013 0.000 0.976 399 R CB -0.202 30.107 30.300 0.015 0.000 0.870 399 R HN 0.070 nan 8.270 nan 0.000 0.445 400 V N 1.048 120.980 119.914 0.030 0.000 2.307 400 V HA -0.237 3.903 4.120 0.034 0.000 0.245 400 V C 2.440 178.559 176.094 0.041 0.000 1.045 400 V CA 2.008 64.336 62.300 0.046 0.000 1.024 400 V CB -0.702 31.149 31.823 0.047 0.000 0.651 400 V HN 0.403 nan 8.190 nan 0.000 0.449 401 A N 0.053 122.892 122.820 0.031 0.000 1.908 401 A HA -0.174 4.166 4.320 0.034 0.000 0.218 401 A C 2.423 180.020 177.584 0.022 0.000 1.181 401 A CA 2.213 54.267 52.037 0.028 0.000 0.627 401 A CB -0.822 18.195 19.000 0.029 0.000 0.818 401 A HN 0.594 nan 8.150 nan 0.000 0.445 402 A N -0.459 122.368 122.820 0.011 0.000 1.940 402 A HA -0.060 4.281 4.320 0.034 0.000 0.219 402 A C 2.170 179.739 177.584 -0.026 0.000 1.176 402 A CA 1.529 53.563 52.037 -0.004 0.000 0.631 402 A CB -0.542 18.451 19.000 -0.012 0.000 0.814 402 A HN 0.488 nan 8.150 nan 0.000 0.446 403 L N -0.411 120.795 121.223 -0.029 0.000 2.093 403 L HA -0.125 4.236 4.340 0.034 0.000 0.208 403 L C 2.792 179.669 176.870 0.011 0.000 1.085 403 L CA 1.788 56.575 54.840 -0.088 0.000 0.755 403 L CB -0.432 41.597 42.059 -0.051 0.000 0.904 403 L HN 0.659 nan 8.230 nan 0.000 0.435 404 T N -4.689 109.903 114.554 0.064 0.000 3.065 404 T HA 0.043 4.414 4.350 0.034 0.000 0.252 404 T C 0.548 175.225 174.700 -0.038 0.000 1.099 404 T CA 0.078 62.184 62.100 0.010 0.000 1.063 404 T CB 0.145 68.957 68.868 -0.095 0.000 0.948 404 T HN 0.454 nan 8.240 nan 0.000 0.506 405 D N 0.000 120.421 120.400 0.035 0.000 6.856 405 D HA 0.000 4.660 4.640 0.034 0.000 0.175 405 D CA 0.000 54.050 54.000 0.083 0.000 0.868 405 D CB 0.000 40.865 40.800 0.108 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683