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 3nw8_1_D DATA FIRST_RESID 103 DATA SEQUENCE DIKAENTDAN FYVcPPPTGA TVVQFEQPRR cPTRPEGQNY TEGIAVVFKE DATA SEQUENCE NIAPYKFKAT MYYKDVTVSQ VWFGHRSSQF MGIFEDRAPV PFEEVIDKIN DATA SEQUENCE AKGVcRSTAK YVRNNLETTA FHRDDHETDM ELKPANAATR TSRGWHTTDL DATA SEQUENCE KYNPSRVEAF HRYGTTVNcI VEEVDARSVY PYDEFVLATG DFVYMSPFYG DATA SEQUENCE YREGSHTEHT SYAADRFKQV DGFYARDLTT KARATAPTTR NLLTTPKFTV DATA SEQUENCE AWDWVPKRPS VcTMTKWQEV DEMLRSEYGG SFRFSSDAIS TTFTTNLTEY DATA SEQUENCE PLSRVDLGDc IGKDARDAMD RIFARRYNAT HIKVGQPQYY LANGGFLIAY DATA SEQUENCE QPLLSNTLAE LYVREHLREQ SRKPPNXXXX XXXXXXXXXV ERIKTTSSIE DATA SEQUENCE FARLQFTYNH IQRHVNDMLG RVAIAWcELQ NHELTLWNEA RKLNPNAIAS DATA SEQUENCE VTVGRRVSAR MLGDVMAVST cVPVAADNVI VQNSMRISSR PGAcYSRPLV DATA SEQUENCE SFRYEDQGPL VEGQLGENNE LRLTRDAIEP cTVGHRRYFT FGGGYVYFEE DATA SEQUENCE YAYSHQLSRA DITTVSTFID LNITMLEDHE FVPLEVYTRH EIKDSGLLDY DATA SEQUENCE TEVQRRNQLH DLRFADIDTV IH 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 103 D HA 0.000 nan 4.640 nan 0.000 0.175 103 D C 0.000 176.260 176.300 -0.067 0.000 2.045 103 D CA 0.000 53.967 54.000 -0.055 0.000 0.868 103 D CB 0.000 40.765 40.800 -0.058 0.000 0.688 104 I N 3.117 123.609 120.570 -0.129 0.000 2.301 104 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 104 I C 0.509 176.607 176.117 -0.032 0.000 1.046 104 I CA -0.096 61.111 61.300 -0.155 0.000 1.282 104 I CB 1.190 38.906 38.000 -0.473 0.000 1.409 104 I HN -0.068 nan 8.210 nan 0.000 0.484 105 K N 4.782 125.214 120.400 0.053 0.000 2.087 105 K HA 0.794 5.114 4.320 -0.000 0.000 0.255 105 K C 0.101 176.846 176.600 0.240 0.000 0.988 105 K CA -0.746 55.620 56.287 0.131 0.000 0.915 105 K CB 1.097 33.638 32.500 0.069 0.000 1.043 105 K HN 0.662 nan 8.250 nan 0.000 0.457 106 A N 1.929 124.886 122.820 0.228 0.000 2.492 106 A HA 0.015 4.335 4.320 -0.000 0.000 0.236 106 A C 0.193 177.791 177.584 0.024 0.000 1.078 106 A CA 0.408 52.433 52.037 -0.020 0.000 0.773 106 A CB 0.105 18.909 19.000 -0.326 0.000 1.023 106 A HN 0.961 nan 8.150 nan 0.000 0.504 107 E N -0.094 120.106 120.200 0.001 0.000 2.391 107 E HA 0.025 4.375 4.350 -0.000 0.000 0.206 107 E C -0.592 176.006 176.600 -0.002 0.000 0.851 107 E CA -0.039 56.389 56.400 0.047 0.000 1.059 107 E CB 0.208 29.983 29.700 0.125 0.000 1.065 107 E HN 0.704 nan 8.360 nan 0.000 0.512 108 N N 1.543 120.206 118.700 -0.061 0.000 2.485 108 N HA 0.074 4.814 4.740 -0.000 0.000 0.243 108 N C -0.552 174.892 175.510 -0.111 0.000 0.987 108 N CA 0.097 53.105 53.050 -0.071 0.000 0.940 108 N CB 1.378 39.823 38.487 -0.070 0.000 1.122 108 N HN -0.007 nan 8.380 nan 0.000 0.509 109 T N -2.645 111.869 114.554 -0.066 0.000 3.275 109 T HA 0.203 4.553 4.350 -0.000 0.000 0.265 109 T C -0.041 174.625 174.700 -0.056 0.000 0.978 109 T CA -0.555 61.511 62.100 -0.057 0.000 0.923 109 T CB -0.098 68.757 68.868 -0.022 0.000 1.126 109 T HN 0.054 nan 8.240 nan 0.000 0.538 110 D N 1.663 122.020 120.400 -0.073 0.000 2.340 110 D HA 0.431 5.071 4.640 -0.000 0.000 0.220 110 D C 0.837 177.091 176.300 -0.075 0.000 1.039 110 D CA 0.159 54.123 54.000 -0.060 0.000 0.866 110 D CB 0.553 41.321 40.800 -0.053 0.000 0.913 110 D HN 0.722 nan 8.370 nan 0.000 0.523 111 A N -0.100 122.652 122.820 -0.113 0.000 2.567 111 A HA 0.627 4.947 4.320 -0.000 0.000 0.289 111 A C -0.782 176.695 177.584 -0.179 0.000 1.177 111 A CA -0.776 51.178 52.037 -0.139 0.000 0.694 111 A CB 1.442 20.331 19.000 -0.185 0.000 1.292 111 A HN -0.084 nan 8.150 nan 0.000 0.425 112 N N -1.135 117.450 118.700 -0.192 0.000 2.531 112 N HA 0.790 5.530 4.740 -0.000 0.000 0.290 112 N C -1.463 173.824 175.510 -0.372 0.000 1.257 112 N CA -0.206 52.722 53.050 -0.202 0.000 0.863 112 N CB 0.712 39.087 38.487 -0.186 0.000 1.320 112 N HN 0.452 nan 8.380 nan 0.000 0.538 113 F N -0.148 119.672 119.950 -0.217 0.000 2.557 113 F HA 0.512 5.039 4.527 -0.000 0.000 0.336 113 F C -0.578 175.000 175.800 -0.371 0.000 1.058 113 F CA -0.480 57.421 58.000 -0.166 0.000 0.988 113 F CB 1.066 39.953 39.000 -0.188 0.000 1.275 113 F HN 0.242 nan 8.300 nan 0.000 0.488 114 Y N 0.349 120.693 120.300 0.074 0.000 2.332 114 Y HA 0.488 5.038 4.550 -0.000 0.000 0.325 114 Y C -0.771 175.108 175.900 -0.034 0.000 1.054 114 Y CA -1.101 57.006 58.100 0.011 0.000 1.119 114 Y CB 1.665 40.131 38.460 0.011 0.000 1.168 114 Y HN 0.171 nan 8.280 nan 0.000 0.439 115 V N 2.848 122.793 119.914 0.051 0.000 2.530 115 V HA 0.146 4.266 4.120 -0.000 0.000 0.282 115 V C -0.146 176.024 176.094 0.126 0.000 1.048 115 V CA -0.457 61.864 62.300 0.034 0.000 0.997 115 V CB 0.769 32.618 31.823 0.044 0.000 0.987 115 V HN 0.891 nan 8.190 nan 0.000 0.477 116 c N 7.117 125.778 118.600 0.102 0.000 2.242 116 c HA 0.407 4.977 4.570 -0.000 0.000 0.317 116 c C -2.096 172.046 174.090 0.087 0.000 1.087 116 c CA -1.435 54.952 56.329 0.097 0.000 1.535 116 c CB -0.124 42.431 42.510 0.074 0.000 1.893 116 c HN 0.694 nan 8.230 nan 0.000 0.426 117 P HA 0.148 nan 4.420 nan 0.000 0.265 117 P C -2.455 174.880 177.300 0.059 0.000 1.193 117 P CA -0.572 62.575 63.100 0.079 0.000 0.765 117 P CB -0.114 31.633 31.700 0.077 0.000 0.823 118 P HA 0.068 nan 4.420 nan 0.000 0.265 118 P C -2.352 174.967 177.300 0.031 0.000 1.187 118 P CA -0.751 62.372 63.100 0.038 0.000 0.766 118 P CB -0.798 30.922 31.700 0.035 0.000 0.820 119 P HA 0.059 nan 4.420 nan 0.000 0.277 119 P C 0.834 178.143 177.300 0.014 0.000 1.354 119 P CA 0.231 63.342 63.100 0.018 0.000 0.891 119 P CB 0.178 31.885 31.700 0.012 0.000 1.058 120 T N 2.243 116.806 114.554 0.015 0.000 2.995 120 T HA 0.101 4.451 4.350 -0.000 0.000 0.269 120 T C 1.373 176.077 174.700 0.007 0.000 1.091 120 T CA 1.537 63.644 62.100 0.012 0.000 1.128 120 T CB -0.690 68.186 68.868 0.013 0.000 0.891 120 T HN 0.580 nan 8.240 nan 0.000 0.492 121 G N -0.449 108.354 108.800 0.006 0.000 2.184 121 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.206 121 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.206 121 G C 1.130 176.031 174.900 0.003 0.000 0.995 121 G CA 0.471 45.572 45.100 0.002 0.000 0.651 121 G HN 0.782 nan 8.290 nan 0.000 0.511 122 A N -0.194 122.629 122.820 0.006 0.000 1.865 122 A HA 0.273 4.593 4.320 -0.000 0.000 0.217 122 A C 1.551 179.138 177.584 0.006 0.000 1.191 122 A CA 2.459 54.500 52.037 0.007 0.000 0.623 122 A CB -0.543 18.463 19.000 0.009 0.000 0.826 122 A HN 1.171 nan 8.150 nan 0.000 0.444 123 T N -0.590 113.967 114.554 0.006 0.000 2.795 123 T HA 0.570 4.920 4.350 -0.000 0.000 0.282 123 T C -0.832 173.869 174.700 0.001 0.000 0.980 123 T CA -0.447 61.657 62.100 0.006 0.000 1.012 123 T CB 1.783 70.656 68.868 0.009 0.000 0.936 123 T HN 0.066 nan 8.240 nan 0.000 0.457 124 V N 3.748 123.662 119.914 -0.001 0.000 2.623 124 V HA 0.646 4.766 4.120 -0.000 0.000 0.304 124 V C -0.290 175.801 176.094 -0.005 0.000 1.054 124 V CA -0.733 61.562 62.300 -0.008 0.000 0.882 124 V CB 1.928 33.745 31.823 -0.010 0.000 1.002 124 V HN 0.908 nan 8.190 nan 0.000 0.424 125 V N 3.564 123.471 119.914 -0.011 0.000 3.046 125 V HA 0.864 4.984 4.120 -0.000 0.000 0.316 125 V C -0.872 175.215 176.094 -0.011 0.000 1.104 125 V CA -0.696 61.605 62.300 0.003 0.000 1.006 125 V CB 1.992 33.828 31.823 0.023 0.000 1.058 125 V HN 0.982 nan 8.190 nan 0.000 0.440 126 Q N 1.754 121.572 119.800 0.030 0.000 2.372 126 Q HA 0.546 4.886 4.340 -0.000 0.000 0.273 126 Q C -1.388 174.722 176.000 0.184 0.000 1.078 126 Q CA -0.765 55.062 55.803 0.040 0.000 0.806 126 Q CB 2.536 31.293 28.738 0.033 0.000 1.332 126 Q HN 0.746 nan 8.270 nan 0.000 0.435 127 F N 2.058 121.999 119.950 -0.015 0.000 2.494 127 F HA 0.039 4.566 4.527 0.000 0.000 0.369 127 F C 1.149 176.934 175.800 -0.026 0.000 1.098 127 F CA -0.498 57.485 58.000 -0.028 0.000 1.154 127 F CB 0.660 39.652 39.000 -0.013 0.000 1.103 127 F HN 0.698 nan 8.300 nan 0.000 0.549 128 E N 4.296 124.558 120.200 0.103 0.000 2.568 128 E HA -0.118 4.232 4.350 -0.000 0.000 0.262 128 E C -0.231 176.385 176.600 0.027 0.000 0.961 128 E CA -0.306 56.113 56.400 0.032 0.000 0.945 128 E CB 0.653 30.338 29.700 -0.024 0.000 0.924 128 E HN 0.500 nan 8.360 nan 0.000 0.467 129 Q N 3.332 123.151 119.800 0.033 0.000 2.317 129 Q HA 0.324 4.664 4.340 -0.000 0.000 0.229 129 Q C -2.094 173.914 176.000 0.013 0.000 0.984 129 Q CA -1.958 53.864 55.803 0.032 0.000 0.911 129 Q CB 0.141 28.901 28.738 0.036 0.000 1.217 129 Q HN 0.484 nan 8.270 nan 0.000 0.501 130 P HA -0.047 nan 4.420 nan 0.000 0.266 130 P C -0.523 176.784 177.300 0.011 0.000 1.186 130 P CA 0.592 63.699 63.100 0.011 0.000 0.767 130 P CB 0.500 32.212 31.700 0.020 0.000 0.820 131 R N 1.325 121.832 120.500 0.012 0.000 2.643 131 R HA 0.438 4.778 4.340 -0.000 0.000 0.272 131 R C 0.492 176.803 176.300 0.018 0.000 0.995 131 R CA -1.039 55.070 56.100 0.016 0.000 1.032 131 R CB 1.082 31.394 30.300 0.021 0.000 1.126 131 R HN 0.435 nan 8.270 nan 0.000 0.505 132 R N 1.324 121.834 120.500 0.017 0.000 2.537 132 R HA 0.093 4.433 4.340 -0.000 0.000 0.280 132 R C -0.859 175.454 176.300 0.021 0.000 1.058 132 R CA -0.178 55.931 56.100 0.016 0.000 1.057 132 R CB 0.378 30.686 30.300 0.013 0.000 0.973 132 R HN 0.595 nan 8.270 nan 0.000 0.438 133 c N 6.093 124.705 118.600 0.019 0.000 2.405 133 c HA 0.417 4.987 4.570 -0.000 0.000 0.365 133 c C -1.839 172.263 174.090 0.020 0.000 1.233 133 c CA -1.375 54.969 56.329 0.025 0.000 2.230 133 c CB 0.577 43.100 42.510 0.022 0.000 2.443 133 c HN 0.726 nan 8.230 nan 0.000 0.556 134 P HA 0.244 nan 4.420 nan 0.000 0.270 134 P C -0.328 176.979 177.300 0.010 0.000 1.223 134 P CA 0.224 63.333 63.100 0.015 0.000 0.785 134 P CB 0.322 32.032 31.700 0.016 0.000 0.923 135 T N -0.847 113.711 114.554 0.005 0.000 2.824 135 T HA 0.458 4.808 4.350 -0.000 0.000 0.282 135 T C 0.005 174.705 174.700 -0.001 0.000 0.993 135 T CA -1.139 60.962 62.100 0.002 0.000 0.967 135 T CB 0.978 69.847 68.868 0.001 0.000 0.960 135 T HN 0.175 nan 8.240 nan 0.000 0.441 136 R N 2.734 123.233 120.500 -0.002 0.000 2.585 136 R HA 0.213 4.553 4.340 -0.000 0.000 0.275 136 R C -1.974 174.323 176.300 -0.005 0.000 1.018 136 R CA -0.925 55.172 56.100 -0.005 0.000 1.072 136 R CB -0.186 30.111 30.300 -0.006 0.000 0.953 136 R HN 0.521 nan 8.270 nan 0.000 0.419 137 P HA -0.096 nan 4.420 nan 0.000 0.266 137 P C -0.008 177.285 177.300 -0.011 0.000 1.186 137 P CA 0.281 63.377 63.100 -0.006 0.000 0.767 137 P CB 0.477 32.177 31.700 0.000 0.000 0.820 138 E N 1.337 121.526 120.200 -0.019 0.000 2.219 138 E HA -0.051 4.299 4.350 -0.000 0.000 0.198 138 E C 0.684 177.266 176.600 -0.031 0.000 0.998 138 E CA 0.931 57.315 56.400 -0.025 0.000 0.818 138 E CB -0.323 29.356 29.700 -0.034 0.000 0.741 138 E HN 0.782 nan 8.360 nan 0.000 0.477 139 G N 2.149 110.928 108.800 -0.035 0.000 3.383 139 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.685 139 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.685 139 G C -0.618 174.225 174.900 -0.095 0.000 1.104 139 G CA -0.427 44.650 45.100 -0.039 0.000 0.957 139 G HN 0.091 nan 8.290 nan 0.000 0.461 140 Q N 1.282 120.998 119.800 -0.140 0.000 2.330 140 Q HA 0.306 4.646 4.340 -0.000 0.000 0.279 140 Q C 0.548 176.297 176.000 -0.418 0.000 1.024 140 Q CA 0.275 55.886 55.803 -0.320 0.000 0.900 140 Q CB 0.395 28.889 28.738 -0.407 0.000 1.221 140 Q HN 0.598 nan 8.270 nan 0.000 0.396 141 N N 4.606 123.065 118.700 -0.402 0.000 2.437 141 N HA 0.166 4.906 4.740 -0.000 0.000 0.259 141 N C -1.108 174.206 175.510 -0.327 0.000 0.983 141 N CA -0.205 52.678 53.050 -0.277 0.000 0.937 141 N CB 0.723 39.121 38.487 -0.149 0.000 1.122 141 N HN 0.514 nan 8.380 nan 0.000 0.499 142 Y N 0.437 120.719 120.300 -0.032 0.000 2.310 142 Y HA 0.177 4.727 4.550 -0.000 0.000 0.326 142 Y C 1.047 176.920 175.900 -0.045 0.000 1.151 142 Y CA -0.403 57.672 58.100 -0.043 0.000 1.195 142 Y CB 1.374 39.831 38.460 -0.005 0.000 1.210 142 Y HN 0.253 nan 8.280 nan 0.000 0.483 143 T N 3.918 118.527 114.554 0.092 0.000 2.738 143 T HA 0.173 4.523 4.350 -0.000 0.000 0.298 143 T C -0.291 174.468 174.700 0.098 0.000 0.962 143 T CA -0.796 61.334 62.100 0.051 0.000 0.972 143 T CB -0.031 68.834 68.868 -0.006 0.000 0.928 143 T HN 0.535 nan 8.240 nan 0.000 0.474 144 E N 1.627 121.867 120.200 0.067 0.000 2.418 144 E HA 0.474 4.824 4.350 -0.000 0.000 0.261 144 E C 0.525 177.130 176.600 0.009 0.000 1.070 144 E CA -0.204 56.209 56.400 0.022 0.000 0.931 144 E CB 0.645 30.301 29.700 -0.074 0.000 0.954 144 E HN 0.793 nan 8.360 nan 0.000 0.439 145 G N 1.218 110.020 108.800 0.003 0.000 2.442 145 G HA2 0.315 4.275 3.960 -0.000 0.000 0.296 145 G HA3 0.315 4.275 3.960 -0.000 0.000 0.296 145 G C -1.062 173.824 174.900 -0.024 0.000 1.564 145 G CA -0.967 44.032 45.100 -0.168 0.000 0.828 145 G HN 0.365 nan 8.290 nan 0.000 0.571 146 I N 0.748 121.227 120.570 -0.152 0.000 2.532 146 I HA 0.617 4.787 4.170 -0.000 0.000 0.292 146 I C 0.701 176.854 176.117 0.059 0.000 1.014 146 I CA -0.390 60.926 61.300 0.026 0.000 1.340 146 I CB 1.687 39.726 38.000 0.065 0.000 1.422 146 I HN 0.765 nan 8.210 nan 0.000 0.528 147 A N 5.243 128.147 122.820 0.141 0.000 2.549 147 A HA 0.812 5.132 4.320 -0.000 0.000 0.297 147 A C -1.300 176.316 177.584 0.052 0.000 1.061 147 A CA -0.488 51.645 52.037 0.160 0.000 0.690 147 A CB 1.831 20.998 19.000 0.277 0.000 1.287 147 A HN 0.383 nan 8.150 nan 0.000 0.402 148 V N 1.245 121.183 119.914 0.041 0.000 2.656 148 V HA 0.575 4.695 4.120 -0.000 0.000 0.307 148 V C -0.673 175.420 176.094 -0.001 0.000 1.051 148 V CA -0.599 61.694 62.300 -0.012 0.000 0.893 148 V CB 1.820 33.660 31.823 0.028 0.000 0.999 148 V HN 0.728 nan 8.190 nan 0.000 0.426 149 V N 4.960 124.820 119.914 -0.090 0.000 2.378 149 V HA 0.533 4.653 4.120 -0.000 0.000 0.288 149 V C -0.626 175.519 176.094 0.085 0.000 1.016 149 V CA -0.414 61.912 62.300 0.043 0.000 0.840 149 V CB 1.241 33.098 31.823 0.057 0.000 0.994 149 V HN 0.642 nan 8.190 nan 0.000 0.431 150 F N 3.907 123.979 119.950 0.204 0.000 2.403 150 F HA 0.705 5.232 4.527 -0.000 0.000 0.326 150 F C 0.447 176.351 175.800 0.174 0.000 1.081 150 F CA -0.570 57.547 58.000 0.195 0.000 1.041 150 F CB 1.599 40.667 39.000 0.113 0.000 1.234 150 F HN 0.451 nan 8.300 nan 0.000 0.503 151 K N 0.312 120.875 120.400 0.270 0.000 2.477 151 K HA 0.364 4.684 4.320 -0.000 0.000 0.255 151 K C -1.018 175.574 176.600 -0.013 0.000 0.952 151 K CA -0.982 55.310 56.287 0.008 0.000 0.826 151 K CB 1.900 34.336 32.500 -0.108 0.000 1.331 151 K HN 0.650 nan 8.250 nan 0.000 0.437 152 E N 2.445 122.567 120.200 -0.130 0.000 2.614 152 E HA -0.139 4.210 4.350 -0.000 0.000 0.245 152 E C -0.488 176.092 176.600 -0.032 0.000 1.039 152 E CA -0.103 56.244 56.400 -0.088 0.000 0.948 152 E CB 0.293 29.908 29.700 -0.142 0.000 0.937 152 E HN 0.505 nan 8.360 nan 0.000 0.498 153 N N 5.354 124.071 118.700 0.028 0.000 2.429 153 N HA -0.080 4.660 4.740 -0.000 0.000 0.271 153 N C 0.683 176.223 175.510 0.050 0.000 1.272 153 N CA 0.265 53.357 53.050 0.069 0.000 0.921 153 N CB 0.344 38.904 38.487 0.122 0.000 1.128 153 N HN 0.663 nan 8.380 nan 0.000 0.481 154 I N 0.722 121.317 120.570 0.043 0.000 4.057 154 I HA 0.376 4.546 4.170 -0.000 0.000 0.334 154 I C 0.595 176.749 176.117 0.063 0.000 1.308 154 I CA -0.533 60.787 61.300 0.033 0.000 1.125 154 I CB 0.268 38.271 38.000 0.005 0.000 1.034 154 I HN 0.274 nan 8.210 nan 0.000 0.401 155 A N 2.971 125.844 122.820 0.088 0.000 2.401 155 A HA 0.607 4.927 4.320 -0.000 0.000 0.259 155 A C -2.382 175.295 177.584 0.156 0.000 1.103 155 A CA -1.081 51.017 52.037 0.101 0.000 0.789 155 A CB -0.510 18.549 19.000 0.097 0.000 1.035 155 A HN 0.146 nan 8.150 nan 0.000 0.491 156 P HA 0.150 nan 4.420 nan 0.000 0.274 156 P C -0.698 176.776 177.300 0.291 0.000 1.237 156 P CA -0.101 63.135 63.100 0.227 0.000 0.793 156 P CB 0.246 32.031 31.700 0.140 0.000 0.977 157 Y N 2.122 122.609 120.300 0.312 0.000 2.442 157 Y HA 0.215 4.765 4.550 -0.000 0.000 0.330 157 Y C -0.001 176.016 175.900 0.194 0.000 1.129 157 Y CA 0.393 58.629 58.100 0.226 0.000 1.365 157 Y CB 0.367 38.934 38.460 0.179 0.000 1.233 157 Y HN 0.214 nan 8.280 nan 0.000 0.529 158 K N 7.249 127.348 120.400 -0.501 0.000 2.371 158 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 158 K C -1.583 174.729 176.600 -0.480 0.000 0.934 158 K CA -0.615 55.436 56.287 -0.394 0.000 0.798 158 K CB 1.945 34.320 32.500 -0.209 0.000 1.204 158 K HN 0.604 nan 8.250 nan 0.000 0.427 159 F N -1.554 118.090 119.950 -0.510 0.000 2.741 159 F HA 0.573 5.100 4.527 -0.000 0.000 0.313 159 F C -1.383 174.285 175.800 -0.220 0.000 1.153 159 F CA -1.426 56.357 58.000 -0.361 0.000 0.931 159 F CB 1.076 39.861 39.000 -0.358 0.000 1.335 159 F HN -0.030 nan 8.300 nan 0.000 0.460 160 K N 1.678 122.039 120.400 -0.066 0.000 2.130 160 K HA 0.828 5.148 4.320 -0.000 0.000 0.268 160 K C -0.407 176.177 176.600 -0.026 0.000 0.983 160 K CA -0.415 55.804 56.287 -0.114 0.000 0.893 160 K CB 1.719 34.217 32.500 -0.004 0.000 1.066 160 K HN 0.969 nan 8.250 nan 0.000 0.450 161 A N 1.074 123.827 122.820 -0.111 0.000 2.548 161 A HA 0.866 5.186 4.320 -0.000 0.000 0.262 161 A C -0.970 176.631 177.584 0.027 0.000 1.271 161 A CA -0.508 51.539 52.037 0.016 0.000 0.839 161 A CB 1.392 20.328 19.000 -0.108 0.000 1.381 161 A HN 0.517 nan 8.150 nan 0.000 0.468 162 T N 1.184 115.766 114.554 0.047 0.000 3.798 162 T HA 0.356 4.706 4.350 -0.000 0.000 0.339 162 T C -0.841 173.756 174.700 -0.171 0.000 0.967 162 T CA -0.230 61.827 62.100 -0.072 0.000 1.046 162 T CB 0.452 69.291 68.868 -0.049 0.000 1.092 162 T HN 0.542 nan 8.240 nan 0.000 0.465 163 M N 3.275 122.749 119.600 -0.209 0.000 2.180 163 M HA 0.453 4.933 4.480 -0.000 0.000 0.358 163 M C -1.147 175.022 176.300 -0.217 0.000 1.233 163 M CA -0.268 54.969 55.300 -0.105 0.000 1.114 163 M CB 0.637 33.200 32.600 -0.062 0.000 1.594 163 M HN 0.561 nan 8.290 nan 0.000 0.467 164 Y N 3.578 124.015 120.300 0.228 0.000 2.326 164 Y HA 0.545 5.095 4.550 -0.000 0.000 0.331 164 Y C -0.662 175.397 175.900 0.266 0.000 0.962 164 Y CA -0.817 57.372 58.100 0.149 0.000 1.167 164 Y CB 0.893 39.420 38.460 0.112 0.000 1.148 164 Y HN 0.611 nan 8.280 nan 0.000 0.463 165 Y N -0.741 119.671 120.300 0.186 0.000 2.689 165 Y HA 0.725 5.275 4.550 -0.000 0.000 0.333 165 Y C -1.886 174.054 175.900 0.067 0.000 1.208 165 Y CA -1.942 56.231 58.100 0.122 0.000 1.055 165 Y CB 1.496 40.032 38.460 0.127 0.000 1.304 165 Y HN 0.275 nan 8.280 nan 0.000 0.455 166 K N 1.384 121.886 120.400 0.169 0.000 2.376 166 K HA 0.285 4.605 4.320 -0.000 0.000 0.257 166 K C -1.784 174.901 176.600 0.143 0.000 0.939 166 K CA -0.954 55.374 56.287 0.068 0.000 0.809 166 K CB 1.816 34.325 32.500 0.015 0.000 1.121 166 K HN 0.591 nan 8.250 nan 0.000 0.425 167 D N 2.887 123.373 120.400 0.144 0.000 2.422 167 D HA 0.096 4.736 4.640 -0.000 0.000 0.227 167 D C -0.362 175.997 176.300 0.099 0.000 1.190 167 D CA -0.093 53.990 54.000 0.139 0.000 0.905 167 D CB 0.894 41.785 40.800 0.153 0.000 1.034 167 D HN 0.083 nan 8.370 nan 0.000 0.507 168 V N 2.713 122.671 119.914 0.073 0.000 2.498 168 V HA 0.361 4.481 4.120 -0.000 0.000 0.279 168 V C 0.694 176.836 176.094 0.081 0.000 1.048 168 V CA -0.123 62.245 62.300 0.114 0.000 0.967 168 V CB 1.575 33.497 31.823 0.166 0.000 0.988 168 V HN 0.394 nan 8.190 nan 0.000 0.473 169 T N 4.036 118.670 114.554 0.134 0.000 2.928 169 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 169 T C -0.651 174.178 174.700 0.215 0.000 1.000 169 T CA -0.407 61.765 62.100 0.120 0.000 0.989 169 T CB 1.714 70.638 68.868 0.093 0.000 1.005 169 T HN 0.328 nan 8.240 nan 0.000 0.442 170 V N 3.772 123.854 119.914 0.280 0.000 2.326 170 V HA 0.532 4.652 4.120 -0.000 0.000 0.281 170 V C 0.284 176.560 176.094 0.303 0.000 1.015 170 V CA -0.865 61.632 62.300 0.328 0.000 0.823 170 V CB 1.201 33.265 31.823 0.400 0.000 1.009 170 V HN 1.029 nan 8.190 nan 0.000 0.436 171 S N 4.622 120.485 115.700 0.271 0.000 2.489 171 S HA 0.700 5.170 4.470 -0.000 0.000 0.291 171 S C -0.634 174.083 174.600 0.194 0.000 1.151 171 S CA -0.827 57.551 58.200 0.296 0.000 1.082 171 S CB 1.514 64.974 63.200 0.434 0.000 1.019 171 S HN 0.693 nan 8.310 nan 0.000 0.492 172 Q N 1.387 121.280 119.800 0.155 0.000 2.309 172 Q HA 0.726 5.066 4.340 -0.000 0.000 0.264 172 Q C -1.291 174.637 176.000 -0.120 0.000 1.008 172 Q CA -1.022 54.745 55.803 -0.060 0.000 0.853 172 Q CB 2.240 30.912 28.738 -0.110 0.000 1.314 172 Q HN 0.635 nan 8.270 nan 0.000 0.448 173 V N 1.218 120.952 119.914 -0.300 0.000 2.733 173 V HA 0.360 4.481 4.120 -0.000 0.000 0.306 173 V C -1.458 174.272 176.094 -0.607 0.000 1.084 173 V CA -1.036 60.931 62.300 -0.556 0.000 0.905 173 V CB 1.594 32.850 31.823 -0.945 0.000 1.010 173 V HN 0.770 nan 8.190 nan 0.000 0.424 174 W N 4.274 125.191 121.300 -0.639 0.000 2.417 174 W HA 0.735 5.395 4.660 -0.000 0.000 0.317 174 W C -0.890 175.238 176.519 -0.652 0.000 1.121 174 W CA -0.660 56.300 57.345 -0.642 0.000 1.208 174 W CB 1.356 30.516 29.460 -0.501 0.000 1.253 174 W HN 0.460 nan 8.180 nan 0.000 0.533 175 F N 4.844 124.467 119.950 -0.545 0.000 2.332 175 F HA 0.452 4.979 4.527 -0.000 0.000 0.368 175 F C 1.086 176.706 175.800 -0.299 0.000 1.110 175 F CA -0.636 57.154 58.000 -0.351 0.000 1.087 175 F CB 0.537 39.313 39.000 -0.373 0.000 1.235 175 F HN 0.387 nan 8.300 nan 0.000 0.470 176 G N -0.189 108.749 108.800 0.230 0.000 2.588 176 G HA2 0.334 4.294 3.960 -0.000 0.000 0.281 176 G HA3 0.334 4.294 3.960 -0.000 0.000 0.281 176 G C 0.885 175.868 174.900 0.138 0.000 1.236 176 G CA 0.210 45.482 45.100 0.286 0.000 0.969 176 G HN 0.850 nan 8.290 nan 0.000 0.504 177 H N -1.548 117.594 119.070 0.121 0.000 2.321 177 H HA 0.141 4.697 4.556 -0.000 0.000 0.300 177 H C 2.426 177.783 175.328 0.049 0.000 1.087 177 H CA 2.936 59.022 56.048 0.064 0.000 1.319 177 H CB -0.269 29.529 29.762 0.060 0.000 1.379 177 H HN 0.839 nan 8.280 nan 0.000 0.501 178 R N 0.450 120.985 120.500 0.060 0.000 2.565 178 R HA 0.604 4.944 4.340 -0.000 0.000 0.347 178 R C 0.971 177.303 176.300 0.055 0.000 1.010 178 R CA 0.942 57.069 56.100 0.046 0.000 1.126 178 R CB -0.635 29.687 30.300 0.036 0.000 1.331 178 R HN 1.248 nan 8.270 nan 0.000 0.552 179 S N -2.494 113.252 115.700 0.077 0.000 2.757 179 S HA 0.820 5.290 4.470 -0.000 0.000 0.285 179 S C -0.931 173.725 174.600 0.093 0.000 1.196 179 S CA -0.152 58.093 58.200 0.074 0.000 0.856 179 S CB 1.706 64.942 63.200 0.060 0.000 1.212 179 S HN 0.346 nan 8.310 nan 0.000 0.516 180 S N 0.202 115.929 115.700 0.045 0.000 2.537 180 S HA 0.661 5.131 4.470 -0.000 0.000 0.271 180 S C -1.906 172.646 174.600 -0.081 0.000 1.148 180 S CA -0.769 57.404 58.200 -0.046 0.000 0.868 180 S CB 1.811 64.945 63.200 -0.109 0.000 1.115 180 S HN 0.854 nan 8.310 nan 0.000 0.461 181 Q N 1.430 121.151 119.800 -0.130 0.000 2.271 181 Q HA 0.510 4.850 4.340 -0.000 0.000 0.268 181 Q C -1.705 174.235 176.000 -0.100 0.000 1.021 181 Q CA -0.624 55.146 55.803 -0.055 0.000 0.802 181 Q CB 0.910 29.654 28.738 0.011 0.000 1.282 181 Q HN 0.580 nan 8.270 nan 0.000 0.431 182 F N 3.885 123.803 119.950 -0.054 0.000 2.590 182 F HA -0.039 4.488 4.527 -0.000 0.000 0.389 182 F C 1.429 177.218 175.800 -0.018 0.000 1.049 182 F CA 0.451 58.423 58.000 -0.047 0.000 1.199 182 F CB 0.610 39.594 39.000 -0.027 0.000 1.058 182 F HN 0.612 nan 8.300 nan 0.000 0.556 183 M N 2.359 122.042 119.600 0.139 0.000 2.514 183 M HA 0.229 4.709 4.480 -0.000 0.000 0.258 183 M C 0.760 177.128 176.300 0.114 0.000 1.119 183 M CA 0.450 55.819 55.300 0.115 0.000 1.111 183 M CB -0.562 32.120 32.600 0.137 0.000 1.390 183 M HN 0.634 nan 8.290 nan 0.000 0.475 184 G N 0.656 109.558 108.800 0.171 0.000 2.503 184 G HA2 0.447 4.407 3.960 -0.000 0.000 0.305 184 G HA3 0.447 4.407 3.960 -0.000 0.000 0.305 184 G C -1.452 173.568 174.900 0.200 0.000 1.575 184 G CA -0.737 44.454 45.100 0.153 0.000 0.890 184 G HN 0.137 nan 8.290 nan 0.000 0.612 185 I N 2.364 123.017 120.570 0.138 0.000 2.464 185 I HA 0.268 4.438 4.170 -0.000 0.000 0.277 185 I C -0.708 175.502 176.117 0.156 0.000 1.040 185 I CA -0.642 60.726 61.300 0.114 0.000 1.153 185 I CB 1.401 39.362 38.000 -0.065 0.000 1.274 185 I HN 0.449 nan 8.210 nan 0.000 0.469 186 F N 6.875 126.875 119.950 0.083 0.000 2.404 186 F HA 0.355 4.882 4.527 -0.000 0.000 0.359 186 F C 0.451 176.305 175.800 0.090 0.000 1.134 186 F CA -0.148 57.902 58.000 0.084 0.000 1.160 186 F CB 0.401 39.463 39.000 0.103 0.000 1.186 186 F HN 0.414 nan 8.300 nan 0.000 0.526 187 E N 3.865 123.763 120.200 -0.504 0.000 2.250 187 E HA 0.368 4.718 4.350 -0.000 0.000 0.269 187 E C -1.190 174.989 176.600 -0.701 0.000 1.018 187 E CA -0.844 55.295 56.400 -0.435 0.000 0.873 187 E CB 1.357 30.935 29.700 -0.204 0.000 1.134 187 E HN 0.501 nan 8.360 nan 0.000 0.403 188 D N 0.279 120.462 120.400 -0.361 0.000 2.663 188 D HA 0.210 4.850 4.640 -0.000 0.000 0.233 188 D C -1.604 174.648 176.300 -0.079 0.000 1.240 188 D CA -0.631 53.228 54.000 -0.235 0.000 0.774 188 D CB 1.559 42.262 40.800 -0.161 0.000 1.443 188 D HN 0.249 nan 8.370 nan 0.000 0.441 189 R N 1.376 121.841 120.500 -0.057 0.000 2.371 189 R HA 0.772 5.112 4.340 -0.000 0.000 0.312 189 R C -1.115 175.121 176.300 -0.106 0.000 0.980 189 R CA -0.537 55.546 56.100 -0.029 0.000 0.867 189 R CB 1.272 31.536 30.300 -0.060 0.000 1.163 189 R HN 0.375 nan 8.270 nan 0.000 0.492 190 A N 5.541 128.225 122.820 -0.227 0.000 2.312 190 A HA 0.689 5.009 4.320 -0.000 0.000 0.328 190 A C -2.455 175.033 177.584 -0.160 0.000 1.158 190 A CA -1.895 49.814 52.037 -0.547 0.000 0.821 190 A CB 0.873 18.999 19.000 -1.457 0.000 1.170 190 A HN 0.502 nan 8.150 nan 0.000 0.490 191 P HA 0.270 nan 4.420 nan 0.000 0.274 191 P C -0.681 176.668 177.300 0.080 0.000 1.231 191 P CA -0.139 63.010 63.100 0.082 0.000 0.790 191 P CB 0.996 32.736 31.700 0.066 0.000 0.951 192 V N 4.404 124.402 119.914 0.140 0.000 2.348 192 V HA 0.209 4.329 4.120 -0.000 0.000 0.270 192 V C -1.926 174.210 176.094 0.069 0.000 1.037 192 V CA -1.830 60.524 62.300 0.090 0.000 0.872 192 V CB 0.512 32.390 31.823 0.092 0.000 1.002 192 V HN 0.543 nan 8.190 nan 0.000 0.464 193 P HA -0.037 nan 4.420 nan 0.000 0.267 193 P C 0.732 178.071 177.300 0.065 0.000 1.201 193 P CA 0.012 63.163 63.100 0.086 0.000 0.775 193 P CB 0.447 32.195 31.700 0.080 0.000 0.854 194 F N 3.387 123.321 119.950 -0.027 0.000 2.063 194 F HA -0.324 4.203 4.527 -0.000 0.000 0.298 194 F C 1.973 177.735 175.800 -0.063 0.000 1.109 194 F CA 2.398 60.364 58.000 -0.058 0.000 1.212 194 F CB -0.702 38.270 39.000 -0.047 0.000 0.973 194 F HN 0.436 nan 8.300 nan 0.000 0.480 195 E N 0.205 120.321 120.200 -0.140 0.000 2.097 195 E HA -0.296 4.054 4.350 -0.000 0.000 0.196 195 E C 2.044 178.486 176.600 -0.263 0.000 1.000 195 E CA 1.881 58.133 56.400 -0.247 0.000 0.804 195 E CB -1.018 28.668 29.700 -0.023 0.000 0.740 195 E HN 0.722 nan 8.360 nan 0.000 0.454 196 E N 0.560 120.657 120.200 -0.172 0.000 2.072 196 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 196 E C 1.940 178.410 176.600 -0.217 0.000 0.985 196 E CA 1.395 57.706 56.400 -0.148 0.000 0.801 196 E CB 0.091 29.739 29.700 -0.086 0.000 0.750 196 E HN 0.236 nan 8.360 nan 0.000 0.452 197 V N 1.334 121.061 119.914 -0.311 0.000 2.867 197 V HA -0.212 3.908 4.120 -0.000 0.000 0.260 197 V C 1.984 177.871 176.094 -0.345 0.000 1.099 197 V CA 0.888 62.931 62.300 -0.428 0.000 1.122 197 V CB -0.328 31.112 31.823 -0.638 0.000 0.708 197 V HN 0.369 nan 8.190 nan 0.000 0.490 198 I N -0.350 119.992 120.570 -0.379 0.000 2.899 198 I HA 0.063 4.233 4.170 -0.000 0.000 0.257 198 I C 1.832 177.833 176.117 -0.195 0.000 1.115 198 I CA 0.950 62.067 61.300 -0.306 0.000 1.451 198 I CB -0.870 36.828 38.000 -0.504 0.000 1.251 198 I HN 0.273 nan 8.210 nan 0.000 0.456 199 D N 0.862 121.147 120.400 -0.192 0.000 2.347 199 D HA -0.046 4.594 4.640 -0.000 0.000 0.215 199 D C 1.797 178.039 176.300 -0.097 0.000 0.976 199 D CA 0.774 54.702 54.000 -0.120 0.000 0.884 199 D CB 0.647 41.388 40.800 -0.099 0.000 0.915 199 D HN 0.249 nan 8.370 nan 0.000 0.526 200 K N -0.271 120.063 120.400 -0.111 0.000 2.550 200 K HA 0.265 4.585 4.320 -0.000 0.000 0.225 200 K C 2.158 178.704 176.600 -0.089 0.000 1.361 200 K CA -0.263 55.972 56.287 -0.087 0.000 0.801 200 K CB -0.381 32.073 32.500 -0.077 0.000 1.698 200 K HN -0.015 nan 8.250 nan 0.000 0.411 201 I N 2.137 122.646 120.570 -0.103 0.000 2.091 201 I HA -0.331 3.839 4.170 -0.000 0.000 0.239 201 I C 1.908 177.974 176.117 -0.084 0.000 1.061 201 I CA 1.877 63.125 61.300 -0.086 0.000 1.317 201 I CB -0.325 37.620 38.000 -0.092 0.000 1.031 201 I HN 0.283 nan 8.210 nan 0.000 0.401 202 N N 0.053 118.700 118.700 -0.089 0.000 2.463 202 N HA 0.028 4.768 4.740 -0.000 0.000 0.181 202 N C 1.355 176.816 175.510 -0.081 0.000 1.078 202 N CA 0.784 53.797 53.050 -0.062 0.000 0.902 202 N CB 0.230 38.716 38.487 -0.001 0.000 0.970 202 N HN 0.344 nan 8.380 nan 0.000 0.451 203 A N 0.633 123.402 122.820 -0.085 0.000 1.908 203 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 203 A C 1.504 179.046 177.584 -0.071 0.000 1.378 203 A CA 0.959 52.949 52.037 -0.078 0.000 0.613 203 A CB -0.111 18.843 19.000 -0.076 0.000 1.053 203 A HN 0.208 nan 8.150 nan 0.000 0.484 204 K N -0.794 119.567 120.400 -0.066 0.000 2.372 204 K HA 0.377 4.697 4.320 -0.000 0.000 0.200 204 K C 0.683 177.247 176.600 -0.061 0.000 1.022 204 K CA 0.602 56.855 56.287 -0.057 0.000 1.125 204 K CB 0.492 32.964 32.500 -0.047 0.000 0.855 204 K HN 0.797 nan 8.250 nan 0.000 0.524 205 G N 1.123 109.879 108.800 -0.074 0.000 2.198 205 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 205 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 205 G C 0.223 175.082 174.900 -0.068 0.000 1.025 205 G CA 0.506 45.554 45.100 -0.086 0.000 0.769 205 G HN 0.304 nan 8.290 nan 0.000 0.507 206 V N -3.863 116.017 119.914 -0.058 0.000 3.166 206 V HA 0.918 5.038 4.120 -0.000 0.000 0.317 206 V C 0.348 176.414 176.094 -0.046 0.000 1.136 206 V CA -0.942 61.330 62.300 -0.047 0.000 1.035 206 V CB 2.108 33.907 31.823 -0.041 0.000 1.110 206 V HN 0.970 nan 8.190 nan 0.000 0.450 207 c N 1.546 120.121 118.600 -0.043 0.000 2.701 207 c HA 0.604 5.174 4.570 -0.000 0.000 0.336 207 c C 0.275 174.337 174.090 -0.047 0.000 1.123 207 c CA -0.608 55.696 56.329 -0.041 0.000 1.326 207 c CB 1.436 43.928 42.510 -0.029 0.000 1.833 207 c HN 1.121 nan 8.230 nan 0.000 0.473 208 R N 2.112 122.585 120.500 -0.044 0.000 2.827 208 R HA 0.214 4.554 4.340 -0.000 0.000 0.269 208 R C 1.108 177.375 176.300 -0.056 0.000 1.048 208 R CA 0.605 56.679 56.100 -0.044 0.000 1.173 208 R CB 0.392 30.666 30.300 -0.043 0.000 1.070 208 R HN 0.882 nan 8.270 nan 0.000 0.498 209 S N -1.742 113.927 115.700 -0.052 0.000 2.572 209 S HA 0.007 4.477 4.470 -0.000 0.000 0.228 209 S C 0.268 174.842 174.600 -0.043 0.000 0.963 209 S CA -0.397 57.775 58.200 -0.047 0.000 0.939 209 S CB 0.098 63.290 63.200 -0.013 0.000 0.804 209 S HN 0.683 nan 8.310 nan 0.000 0.480 210 T N -0.269 114.212 114.554 -0.121 0.000 2.815 210 T HA 0.766 5.116 4.350 -0.000 0.000 0.289 210 T C -0.397 174.232 174.700 -0.119 0.000 1.000 210 T CA -0.583 61.361 62.100 -0.260 0.000 0.958 210 T CB 1.394 69.915 68.868 -0.577 0.000 0.944 210 T HN 0.338 nan 8.240 nan 0.000 0.442 211 A N 3.755 126.566 122.820 -0.015 0.000 2.310 211 A HA 0.584 4.904 4.320 -0.000 0.000 0.300 211 A C 0.273 178.014 177.584 0.262 0.000 1.269 211 A CA -0.684 51.430 52.037 0.128 0.000 0.909 211 A CB 0.141 19.240 19.000 0.166 0.000 1.144 211 A HN 0.865 nan 8.150 nan 0.000 0.540 212 K N 2.842 123.380 120.400 0.230 0.000 2.339 212 K HA 0.618 4.938 4.320 -0.000 0.000 0.264 212 K C -1.332 175.465 176.600 0.328 0.000 0.986 212 K CA -0.457 55.951 56.287 0.201 0.000 0.866 212 K CB 0.712 33.255 32.500 0.070 0.000 1.103 212 K HN 0.801 nan 8.250 nan 0.000 0.441 213 Y N -0.689 119.639 120.300 0.047 0.000 2.750 213 Y HA 0.465 5.015 4.550 -0.000 0.000 0.335 213 Y C -1.849 174.086 175.900 0.058 0.000 1.252 213 Y CA -1.519 56.614 58.100 0.055 0.000 1.064 213 Y CB 0.902 39.402 38.460 0.066 0.000 1.321 213 Y HN 0.076 nan 8.280 nan 0.000 0.451 214 V N 2.585 122.555 119.914 0.093 0.000 2.370 214 V HA 0.770 4.890 4.120 -0.000 0.000 0.279 214 V C -1.059 175.070 176.094 0.059 0.000 1.029 214 V CA -0.351 61.952 62.300 0.005 0.000 0.870 214 V CB 1.110 32.960 31.823 0.046 0.000 0.984 214 V HN 0.833 nan 8.190 nan 0.000 0.451 215 R N 5.359 125.846 120.500 -0.021 0.000 2.532 215 R HA 0.520 4.860 4.340 -0.000 0.000 0.297 215 R C -0.081 176.242 176.300 0.037 0.000 0.984 215 R CA -0.201 55.937 56.100 0.063 0.000 0.884 215 R CB 0.625 30.980 30.300 0.092 0.000 1.182 215 R HN 0.827 nan 8.270 nan 0.000 0.442 216 N N 3.243 121.977 118.700 0.057 0.000 2.727 216 N HA -0.265 4.475 4.740 -0.000 0.000 0.251 216 N C -1.102 174.419 175.510 0.018 0.000 1.040 216 N CA 1.426 54.498 53.050 0.037 0.000 0.712 216 N CB -1.546 36.961 38.487 0.033 0.000 0.912 216 N HN 0.968 nan 8.380 nan 0.000 0.545 217 N N -2.270 116.442 118.700 0.020 0.000 2.741 217 N HA -0.236 4.504 4.740 -0.000 0.000 0.250 217 N C -0.597 174.913 175.510 0.001 0.000 1.115 217 N CA 1.205 54.262 53.050 0.012 0.000 0.724 217 N CB -0.710 37.783 38.487 0.010 0.000 1.090 217 N HN 0.667 nan 8.380 nan 0.000 0.558 218 L N -0.735 120.483 121.223 -0.009 0.000 2.506 218 L HA 0.418 4.758 4.340 -0.000 0.000 0.257 218 L C -1.143 175.695 176.870 -0.053 0.000 0.964 218 L CA -0.723 54.102 54.840 -0.025 0.000 0.836 218 L CB 1.940 43.982 42.059 -0.028 0.000 1.384 218 L HN 0.068 nan 8.230 nan 0.000 0.410 219 E N 2.211 122.378 120.200 -0.054 0.000 2.115 219 E HA 0.292 4.642 4.350 -0.000 0.000 0.282 219 E C -1.195 175.336 176.600 -0.115 0.000 0.987 219 E CA -0.283 56.064 56.400 -0.087 0.000 0.797 219 E CB 1.371 31.047 29.700 -0.039 0.000 1.086 219 E HN 0.612 nan 8.360 nan 0.000 0.397 220 T N 2.537 116.949 114.554 -0.236 0.000 2.945 220 T HA 0.472 4.822 4.350 -0.000 0.000 0.286 220 T C -0.810 173.783 174.700 -0.178 0.000 1.025 220 T CA -0.346 61.634 62.100 -0.201 0.000 1.039 220 T CB 1.405 70.130 68.868 -0.237 0.000 1.068 220 T HN 0.391 nan 8.240 nan 0.000 0.497 221 T N 2.730 117.278 114.554 -0.011 0.000 2.937 221 T HA 0.687 5.037 4.350 -0.000 0.000 0.297 221 T C -0.763 174.031 174.700 0.157 0.000 0.991 221 T CA -0.620 61.517 62.100 0.062 0.000 0.990 221 T CB 1.292 70.229 68.868 0.116 0.000 0.991 221 T HN 0.825 nan 8.240 nan 0.000 0.440 222 A N 3.019 125.919 122.820 0.133 0.000 2.292 222 A HA 0.818 5.138 4.320 -0.000 0.000 0.319 222 A C -0.957 176.657 177.584 0.050 0.000 1.206 222 A CA -0.556 51.599 52.037 0.196 0.000 0.835 222 A CB 0.203 19.355 19.000 0.254 0.000 1.164 222 A HN 0.726 nan 8.150 nan 0.000 0.505 223 F N 1.437 121.451 119.950 0.107 0.000 2.388 223 F HA 0.275 4.802 4.527 -0.000 0.000 0.358 223 F C 0.693 176.540 175.800 0.077 0.000 1.122 223 F CA -0.243 57.806 58.000 0.081 0.000 1.056 223 F CB 1.172 40.186 39.000 0.023 0.000 1.155 223 F HN 0.764 nan 8.300 nan 0.000 0.461 224 H N 4.213 123.351 119.070 0.112 0.000 3.107 224 H HA 0.119 4.675 4.556 -0.000 0.000 0.301 224 H C 0.862 176.165 175.328 -0.042 0.000 0.981 224 H CA 0.681 56.758 56.048 0.050 0.000 1.443 224 H CB 0.306 30.081 29.762 0.021 0.000 1.479 224 H HN 0.703 nan 8.280 nan 0.000 0.564 225 R N 2.763 122.903 120.500 -0.600 0.000 4.016 225 R HA -0.282 4.058 4.340 -0.000 0.000 0.385 225 R C -0.169 175.851 176.300 -0.467 0.000 1.158 225 R CA 1.120 56.639 56.100 -0.967 0.000 1.117 225 R CB -1.775 28.004 30.300 -0.868 0.000 1.635 225 R HN 1.045 nan 8.270 nan 0.000 0.560 226 D N -1.393 118.939 120.400 -0.113 0.000 3.059 226 D HA -0.165 4.475 4.640 -0.000 0.000 0.220 226 D C -0.180 176.056 176.300 -0.106 0.000 1.169 226 D CA 1.910 55.902 54.000 -0.014 0.000 0.902 226 D CB -0.322 40.482 40.800 0.006 0.000 1.116 226 D HN 0.417 nan 8.370 nan 0.000 0.417 227 D N -0.921 119.441 120.400 -0.063 0.000 2.478 227 D HA 0.283 4.923 4.640 -0.000 0.000 0.263 227 D C 0.679 176.991 176.300 0.021 0.000 1.153 227 D CA -0.390 53.554 54.000 -0.093 0.000 1.038 227 D CB 0.410 41.202 40.800 -0.014 0.000 1.120 227 D HN 0.167 nan 8.370 nan 0.000 0.564 228 H N -0.031 119.103 119.070 0.107 0.000 2.895 228 H HA 0.035 4.591 4.556 -0.000 0.000 0.371 228 H C 0.658 176.136 175.328 0.249 0.000 1.219 228 H CA 0.368 56.524 56.048 0.180 0.000 1.431 228 H CB 0.504 30.322 29.762 0.092 0.000 1.414 228 H HN 0.260 nan 8.280 nan 0.000 0.617 229 E N 0.203 120.645 120.200 0.404 0.000 2.442 229 E HA 0.094 4.444 4.350 -0.000 0.000 0.260 229 E C -0.692 175.991 176.600 0.138 0.000 1.148 229 E CA 0.303 56.828 56.400 0.208 0.000 0.976 229 E CB 0.494 30.277 29.700 0.139 0.000 0.967 229 E HN 0.605 nan 8.360 nan 0.000 0.454 230 T N 2.296 116.891 114.554 0.069 0.000 3.128 230 T HA 0.105 4.455 4.350 -0.000 0.000 0.363 230 T C -1.925 172.776 174.700 0.003 0.000 1.610 230 T CA -0.862 61.263 62.100 0.041 0.000 1.126 230 T CB 1.073 69.971 68.868 0.050 0.000 1.416 230 T HN 0.381 nan 8.240 nan 0.000 0.480 231 D N 2.729 123.126 120.400 -0.005 0.000 2.304 231 D HA 0.529 5.169 4.640 -0.000 0.000 0.250 231 D C -0.065 176.218 176.300 -0.030 0.000 1.107 231 D CA 0.043 54.029 54.000 -0.022 0.000 0.885 231 D CB 0.772 41.559 40.800 -0.022 0.000 1.192 231 D HN 0.360 nan 8.370 nan 0.000 0.436 232 M N 0.776 120.349 119.600 -0.045 0.000 2.530 232 M HA 0.236 4.716 4.480 -0.000 0.000 0.307 232 M C 0.041 176.314 176.300 -0.045 0.000 1.161 232 M CA -0.897 54.370 55.300 -0.054 0.000 0.903 232 M CB 2.764 35.309 32.600 -0.092 0.000 1.711 232 M HN 0.205 nan 8.290 nan 0.000 0.451 233 E N 2.143 122.321 120.200 -0.036 0.000 2.360 233 E HA 0.301 4.651 4.350 -0.000 0.000 0.269 233 E C -1.462 175.132 176.600 -0.009 0.000 1.022 233 E CA -0.264 56.123 56.400 -0.021 0.000 0.887 233 E CB 0.839 30.532 29.700 -0.010 0.000 0.990 233 E HN 0.550 nan 8.360 nan 0.000 0.426 234 L N 5.928 127.155 121.223 0.007 0.000 2.261 234 L HA 0.266 4.606 4.340 -0.000 0.000 0.289 234 L C -0.034 176.927 176.870 0.152 0.000 1.059 234 L CA -0.339 54.540 54.840 0.065 0.000 0.816 234 L CB 0.541 42.616 42.059 0.027 0.000 1.191 234 L HN 0.499 nan 8.230 nan 0.000 0.431 235 K N 3.830 124.363 120.400 0.220 0.000 2.164 235 K HA 0.637 4.957 4.320 -0.000 0.000 0.258 235 K C -2.795 174.039 176.600 0.389 0.000 0.951 235 K CA -2.225 54.226 56.287 0.274 0.000 0.844 235 K CB 1.416 34.012 32.500 0.161 0.000 1.099 235 K HN 0.074 nan 8.250 nan 0.000 0.435 236 P HA -0.098 nan 4.420 nan 0.000 0.262 236 P C -0.523 176.713 177.300 -0.107 0.000 1.182 236 P CA 0.241 63.285 63.100 -0.094 0.000 0.761 236 P CB 0.656 32.284 31.700 -0.120 0.000 0.795 237 A N 4.296 126.933 122.820 -0.305 0.000 2.409 237 A HA 0.070 4.390 4.320 -0.000 0.000 0.246 237 A C 0.570 178.018 177.584 -0.227 0.000 1.099 237 A CA -0.139 51.674 52.037 -0.374 0.000 0.789 237 A CB -0.253 18.453 19.000 -0.492 0.000 1.053 237 A HN 0.533 nan 8.150 nan 0.000 0.503 238 N N 0.253 118.846 118.700 -0.179 0.000 2.454 238 N HA 0.294 5.034 4.740 -0.000 0.000 0.254 238 N C 0.411 175.845 175.510 -0.127 0.000 1.228 238 N CA 0.868 53.854 53.050 -0.107 0.000 0.900 238 N CB 0.370 38.815 38.487 -0.070 0.000 1.089 238 N HN 0.818 nan 8.380 nan 0.000 0.449 239 A N 0.923 123.685 122.820 -0.097 0.000 2.507 239 A HA 0.469 4.789 4.320 -0.000 0.000 0.235 239 A C 0.141 177.670 177.584 -0.092 0.000 1.070 239 A CA 0.256 52.235 52.037 -0.098 0.000 0.768 239 A CB -0.039 18.919 19.000 -0.069 0.000 1.011 239 A HN 0.789 nan 8.150 nan 0.000 0.502 240 A N 1.400 124.162 122.820 -0.096 0.000 2.532 240 A HA 0.615 4.935 4.320 -0.000 0.000 0.296 240 A C -0.014 177.522 177.584 -0.079 0.000 1.058 240 A CA 0.003 51.989 52.037 -0.085 0.000 0.729 240 A CB 0.162 19.104 19.000 -0.097 0.000 1.285 240 A HN 1.917 nan 8.150 nan 0.000 0.396 241 T N 0.310 114.827 114.554 -0.062 0.000 2.946 241 T HA 0.427 4.777 4.350 -0.000 0.000 0.311 241 T C 0.491 175.155 174.700 -0.061 0.000 1.063 241 T CA 0.224 62.290 62.100 -0.056 0.000 1.139 241 T CB -0.011 68.831 68.868 -0.043 0.000 0.994 241 T HN 1.045 nan 8.240 nan 0.000 0.547 242 R N -0.303 120.161 120.500 -0.060 0.000 3.205 242 R HA -0.139 4.201 4.340 -0.000 0.000 0.249 242 R C -0.050 176.205 176.300 -0.076 0.000 0.937 242 R CA 0.822 56.885 56.100 -0.062 0.000 0.641 242 R CB -2.669 27.599 30.300 -0.053 0.000 1.114 242 R HN 1.113 nan 8.270 nan 0.000 0.451 243 T N -3.633 110.867 114.554 -0.090 0.000 2.933 243 T HA 0.538 4.888 4.350 -0.000 0.000 0.305 243 T C 0.196 174.821 174.700 -0.124 0.000 1.092 243 T CA -0.823 61.211 62.100 -0.110 0.000 1.008 243 T CB 2.223 71.017 68.868 -0.124 0.000 1.102 243 T HN 0.075 nan 8.240 nan 0.000 0.469 244 S N 1.354 116.976 115.700 -0.130 0.000 2.608 244 S HA 0.370 4.840 4.470 -0.000 0.000 0.261 244 S C 0.773 175.247 174.600 -0.211 0.000 1.314 244 S CA -0.888 57.230 58.200 -0.137 0.000 0.992 244 S CB 0.167 63.298 63.200 -0.114 0.000 0.935 244 S HN 0.665 nan 8.310 nan 0.000 0.564 245 R N 0.103 120.451 120.500 -0.254 0.000 2.738 245 R HA 0.483 4.823 4.340 -0.000 0.000 0.268 245 R C 0.427 176.289 176.300 -0.730 0.000 1.062 245 R CA -0.046 55.729 56.100 -0.540 0.000 1.158 245 R CB 0.131 30.075 30.300 -0.592 0.000 1.046 245 R HN 0.712 nan 8.270 nan 0.000 0.493 246 G N 0.670 108.809 108.800 -1.101 0.000 2.742 246 G HA2 0.490 4.450 3.960 -0.000 0.000 0.296 246 G HA3 0.490 4.450 3.960 -0.000 0.000 0.296 246 G C -1.717 172.663 174.900 -0.867 0.000 1.436 246 G CA -0.664 43.977 45.100 -0.765 0.000 0.928 246 G HN 0.436 nan 8.290 nan 0.000 0.520 247 W N 0.060 121.301 121.300 -0.098 0.000 3.029 247 W HA 0.671 5.331 4.660 -0.000 0.000 0.339 247 W C -0.061 176.484 176.519 0.042 0.000 1.198 247 W CA -0.730 56.603 57.345 -0.021 0.000 1.148 247 W CB 2.266 31.729 29.460 0.005 0.000 1.451 247 W HN 0.980 nan 8.180 nan 0.000 0.564 248 H N -3.193 115.973 119.070 0.160 0.000 3.003 248 H HA 0.252 4.808 4.556 -0.000 0.000 0.327 248 H C 0.163 175.513 175.328 0.036 0.000 1.353 248 H CA -0.227 55.851 56.048 0.050 0.000 1.142 248 H CB 1.679 31.440 29.762 -0.002 0.000 1.864 248 H HN 0.218 nan 8.280 nan 0.000 0.529 249 T N -1.473 113.027 114.554 -0.089 0.000 3.054 249 T HA 0.132 4.482 4.350 -0.000 0.000 0.259 249 T C 0.726 175.242 174.700 -0.306 0.000 1.092 249 T CA 0.922 62.918 62.100 -0.173 0.000 1.121 249 T CB 0.212 68.995 68.868 -0.142 0.000 0.912 249 T HN 0.636 nan 8.240 nan 0.000 0.489 250 T N 1.368 115.655 114.554 -0.446 0.000 2.853 250 T HA 0.433 4.783 4.350 -0.000 0.000 0.311 250 T C -1.538 172.952 174.700 -0.350 0.000 1.307 250 T CA -0.374 61.523 62.100 -0.337 0.000 1.019 250 T CB 1.945 70.732 68.868 -0.136 0.000 1.264 250 T HN 0.217 nan 8.240 nan 0.000 0.497 251 D N 2.388 122.716 120.400 -0.119 0.000 2.540 251 D HA 0.226 4.866 4.640 -0.000 0.000 0.229 251 D C 0.118 176.478 176.300 0.101 0.000 1.250 251 D CA -0.094 53.955 54.000 0.081 0.000 0.817 251 D CB 0.134 41.038 40.800 0.175 0.000 1.060 251 D HN 0.366 nan 8.370 nan 0.000 0.508 252 L N 0.572 121.857 121.223 0.103 0.000 2.362 252 L HA 0.440 4.780 4.340 -0.000 0.000 0.271 252 L C -0.034 176.937 176.870 0.169 0.000 1.002 252 L CA -1.039 53.877 54.840 0.128 0.000 0.818 252 L CB 2.189 44.322 42.059 0.124 0.000 1.298 252 L HN -0.311 nan 8.230 nan 0.000 0.420 253 K N 1.877 122.369 120.400 0.154 0.000 2.172 253 K HA 0.263 4.583 4.320 -0.000 0.000 0.276 253 K C -0.926 175.791 176.600 0.195 0.000 1.013 253 K CA -0.494 55.895 56.287 0.172 0.000 0.913 253 K CB 1.523 34.103 32.500 0.133 0.000 1.055 253 K HN 0.357 nan 8.250 nan 0.000 0.461 254 Y N 3.333 123.673 120.300 0.067 0.000 2.367 254 Y HA 0.213 4.763 4.550 -0.000 0.000 0.342 254 Y C -0.509 175.446 175.900 0.093 0.000 0.979 254 Y CA -0.416 57.707 58.100 0.037 0.000 1.161 254 Y CB 0.590 39.000 38.460 -0.084 0.000 1.155 254 Y HN 0.480 nan 8.280 nan 0.000 0.503 255 N N 7.631 126.029 118.700 -0.502 0.000 2.404 255 N HA 0.422 5.162 4.740 -0.000 0.000 0.297 255 N C -2.795 172.293 175.510 -0.703 0.000 1.163 255 N CA -1.737 51.075 53.050 -0.398 0.000 0.864 255 N CB 1.289 39.702 38.487 -0.124 0.000 1.247 255 N HN 0.423 nan 8.380 nan 0.000 0.510 256 P HA 0.114 nan 4.420 nan 0.000 0.271 256 P C -0.231 177.038 177.300 -0.050 0.000 1.233 256 P CA -0.093 62.925 63.100 -0.136 0.000 0.789 256 P CB 0.202 31.943 31.700 0.067 0.000 0.951 257 S N 0.787 116.476 115.700 -0.020 0.000 2.617 257 S HA 0.262 4.732 4.470 -0.000 0.000 0.269 257 S C 0.460 174.885 174.600 -0.293 0.000 1.292 257 S CA -0.709 57.436 58.200 -0.092 0.000 1.010 257 S CB 0.217 63.386 63.200 -0.052 0.000 0.944 257 S HN 0.464 nan 8.310 nan 0.000 0.536 258 R N 1.061 121.255 120.500 -0.511 0.000 2.449 258 R HA 0.427 4.767 4.340 -0.000 0.000 0.296 258 R C -1.549 174.318 176.300 -0.722 0.000 1.047 258 R CA 0.109 55.576 56.100 -1.056 0.000 1.018 258 R CB -0.073 29.791 30.300 -0.726 0.000 0.962 258 R HN 0.386 nan 8.270 nan 0.000 0.428 259 V N 3.462 122.875 119.914 -0.835 0.000 2.568 259 V HA 0.182 4.302 4.120 -0.000 0.000 0.276 259 V C -0.093 175.825 176.094 -0.293 0.000 1.002 259 V CA -0.419 61.649 62.300 -0.387 0.000 0.879 259 V CB 0.959 32.657 31.823 -0.208 0.000 1.040 259 V HN 1.030 nan 8.190 nan 0.000 0.457 260 E N 3.056 123.092 120.200 -0.274 0.000 2.760 260 E HA 0.307 4.657 4.350 -0.000 0.000 0.268 260 E C 1.192 177.660 176.600 -0.221 0.000 0.935 260 E CA 0.604 56.880 56.400 -0.206 0.000 0.960 260 E CB 0.086 29.701 29.700 -0.142 0.000 0.931 260 E HN 2.430 nan 8.360 nan 0.000 0.483 261 A N 1.124 123.677 122.820 -0.445 0.000 2.364 261 A HA 0.081 4.401 4.320 -0.000 0.000 0.288 261 A C 0.050 177.335 177.584 -0.498 0.000 1.433 261 A CA 1.516 53.085 52.037 -0.780 0.000 0.757 261 A CB -1.850 17.052 19.000 -0.163 0.000 1.098 261 A HN 1.828 nan 8.150 nan 0.000 0.380 262 F N -0.839 118.600 119.950 -0.852 0.000 2.639 262 F HA 0.460 4.987 4.527 -0.000 0.000 0.326 262 F C 0.162 175.731 175.800 -0.384 0.000 1.150 262 F CA -0.587 57.158 58.000 -0.425 0.000 1.057 262 F CB 1.047 39.943 39.000 -0.173 0.000 1.300 262 F HN 0.372 nan 8.300 nan 0.000 0.486 263 H N 3.509 122.318 119.070 -0.436 0.000 2.897 263 H HA 0.627 5.183 4.556 -0.000 0.000 0.347 263 H C 0.412 175.706 175.328 -0.056 0.000 1.068 263 H CA 1.102 56.997 56.048 -0.256 0.000 1.426 263 H CB 0.562 30.174 29.762 -0.249 0.000 1.410 263 H HN 0.841 nan 8.280 nan 0.000 0.597 264 R N 1.811 122.309 120.500 -0.002 0.000 2.774 264 R HA 0.556 4.896 4.340 -0.000 0.000 0.272 264 R C -1.829 174.375 176.300 -0.160 0.000 1.000 264 R CA -0.902 55.259 56.100 0.103 0.000 0.906 264 R CB 0.715 31.174 30.300 0.264 0.000 1.227 264 R HN 0.707 nan 8.270 nan 0.000 0.468 265 Y N -0.359 120.031 120.300 0.150 0.000 2.409 265 Y HA 0.736 5.286 4.550 -0.000 0.000 0.343 265 Y C 0.952 176.945 175.900 0.155 0.000 0.973 265 Y CA -0.940 57.242 58.100 0.135 0.000 1.064 265 Y CB 3.033 41.568 38.460 0.125 0.000 1.207 265 Y HN 0.971 nan 8.280 nan 0.000 0.452 266 G N 1.147 110.117 108.800 0.282 0.000 2.643 266 G HA2 0.565 4.525 3.960 -0.000 0.000 0.305 266 G HA3 0.565 4.525 3.960 -0.000 0.000 0.305 266 G C -1.257 173.859 174.900 0.359 0.000 1.387 266 G CA -0.689 44.586 45.100 0.292 0.000 0.982 266 G HN 0.430 nan 8.290 nan 0.000 0.501 267 T N 1.133 115.955 114.554 0.447 0.000 2.888 267 T HA 0.749 5.099 4.350 -0.000 0.000 0.284 267 T C -0.336 174.514 174.700 0.250 0.000 1.017 267 T CA -0.303 61.984 62.100 0.312 0.000 1.022 267 T CB 1.745 70.764 68.868 0.251 0.000 1.013 267 T HN 0.481 nan 8.240 nan 0.000 0.465 268 T N 1.861 116.545 114.554 0.216 0.000 2.928 268 T HA 0.551 4.901 4.350 -0.000 0.000 0.296 268 T C -0.949 173.914 174.700 0.272 0.000 1.000 268 T CA -0.564 61.653 62.100 0.196 0.000 0.989 268 T CB 1.345 70.342 68.868 0.215 0.000 1.005 268 T HN 0.352 nan 8.240 nan 0.000 0.442 269 V N 3.594 123.782 119.914 0.458 0.000 2.443 269 V HA 0.564 4.684 4.120 -0.000 0.000 0.293 269 V C -0.569 175.633 176.094 0.179 0.000 1.021 269 V CA -0.879 61.592 62.300 0.284 0.000 0.848 269 V CB 1.671 33.621 31.823 0.212 0.000 0.998 269 V HN 0.850 nan 8.190 nan 0.000 0.424 270 N N 3.322 122.085 118.700 0.104 0.000 2.626 270 N HA 0.244 4.984 4.740 -0.000 0.000 0.249 270 N C -0.538 174.975 175.510 0.005 0.000 1.021 270 N CA -0.267 52.804 53.050 0.035 0.000 0.886 270 N CB 1.133 39.672 38.487 0.087 0.000 1.149 270 N HN 0.730 nan 8.380 nan 0.000 0.517 271 c N 5.219 123.800 118.600 -0.031 0.000 2.634 271 c HA 0.356 4.926 4.570 -0.000 0.000 0.418 271 c C 0.225 174.282 174.090 -0.054 0.000 1.373 271 c CA -0.251 56.054 56.329 -0.041 0.000 1.756 271 c CB -1.611 40.882 42.510 -0.028 0.000 2.589 271 c HN 0.606 nan 8.230 nan 0.000 0.602 272 I N 6.029 126.479 120.570 -0.200 0.000 2.545 272 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 272 I C -0.734 175.189 176.117 -0.322 0.000 1.040 272 I CA -0.606 60.510 61.300 -0.308 0.000 1.068 272 I CB 2.055 39.654 38.000 -0.667 0.000 1.251 272 I HN 0.295 nan 8.210 nan 0.000 0.424 273 V N 5.308 125.160 119.914 -0.102 0.000 2.525 273 V HA 0.404 4.524 4.120 -0.000 0.000 0.299 273 V C -0.594 175.551 176.094 0.085 0.000 1.034 273 V CA -0.607 61.651 62.300 -0.070 0.000 0.863 273 V CB 1.948 33.785 31.823 0.023 0.000 0.999 273 V HN 0.692 nan 8.190 nan 0.000 0.423 274 E N 2.867 123.038 120.200 -0.048 0.000 2.248 274 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 274 E C -0.999 175.594 176.600 -0.012 0.000 0.877 274 E CA -0.755 55.637 56.400 -0.013 0.000 0.759 274 E CB 2.804 32.478 29.700 -0.042 0.000 1.182 274 E HN 0.664 nan 8.360 nan 0.000 0.418 275 E N 1.902 122.122 120.200 0.032 0.000 2.223 275 E HA 0.206 4.556 4.350 -0.000 0.000 0.282 275 E C -0.164 176.390 176.600 -0.077 0.000 1.046 275 E CA -0.336 56.067 56.400 0.004 0.000 0.857 275 E CB 1.104 30.836 29.700 0.054 0.000 1.055 275 E HN 0.255 nan 8.360 nan 0.000 0.409 276 V N -0.190 119.659 119.914 -0.109 0.000 3.181 276 V HA 0.560 4.680 4.120 -0.000 0.000 0.314 276 V C -0.705 175.270 176.094 -0.199 0.000 1.173 276 V CA -1.086 61.120 62.300 -0.157 0.000 1.052 276 V CB 2.196 33.906 31.823 -0.189 0.000 1.123 276 V HN 0.353 nan 8.190 nan 0.000 0.454 277 D N 1.313 121.573 120.400 -0.232 0.000 2.408 277 D HA 0.771 5.411 4.640 -0.000 0.000 0.243 277 D C -0.157 175.913 176.300 -0.383 0.000 1.075 277 D CA 0.262 54.084 54.000 -0.295 0.000 0.832 277 D CB 1.637 42.303 40.800 -0.223 0.000 1.162 277 D HN 1.110 nan 8.370 nan 0.000 0.515 278 A N 3.091 125.532 122.820 -0.631 0.000 2.312 278 A HA 0.837 5.157 4.320 -0.000 0.000 0.328 278 A C -0.114 177.138 177.584 -0.553 0.000 1.158 278 A CA -0.641 50.969 52.037 -0.712 0.000 0.821 278 A CB 0.834 19.005 19.000 -1.382 0.000 1.170 278 A HN 0.515 nan 8.150 nan 0.000 0.490 279 R N 0.376 120.728 120.500 -0.248 0.000 2.621 279 R HA 0.654 4.994 4.340 -0.000 0.000 0.284 279 R C -1.027 175.342 176.300 0.115 0.000 0.998 279 R CA -0.351 55.706 56.100 -0.072 0.000 0.895 279 R CB 2.324 32.571 30.300 -0.088 0.000 1.195 279 R HN 0.706 nan 8.270 nan 0.000 0.450 280 S N 1.424 117.298 115.700 0.289 0.000 2.549 280 S HA 0.718 5.188 4.470 -0.000 0.000 0.280 280 S C -1.139 173.725 174.600 0.439 0.000 1.109 280 S CA -0.647 57.800 58.200 0.412 0.000 0.905 280 S CB 1.661 65.224 63.200 0.605 0.000 1.081 280 S HN 0.388 nan 8.310 nan 0.000 0.477 281 V N 2.242 122.261 119.914 0.175 0.000 2.876 281 V HA 0.621 4.741 4.120 -0.000 0.000 0.312 281 V C -0.464 175.214 176.094 -0.693 0.000 1.085 281 V CA -1.209 61.015 62.300 -0.128 0.000 0.945 281 V CB 0.954 32.775 31.823 -0.003 0.000 1.017 281 V HN 0.985 nan 8.190 nan 0.000 0.428 282 Y N 4.878 124.384 120.300 -1.323 0.000 3.059 282 Y HA 0.105 4.655 4.550 -0.000 0.000 0.343 282 Y C -1.514 174.152 175.900 -0.389 0.000 1.273 282 Y CA -0.161 57.351 58.100 -0.979 0.000 1.572 282 Y CB 0.823 39.030 38.460 -0.422 0.000 1.228 282 Y HN 0.651 nan 8.280 nan 0.000 0.610 283 P HA 0.039 nan 4.420 nan 0.000 0.253 283 P C -1.177 175.983 177.300 -0.233 0.000 1.260 283 P CA 0.511 63.073 63.100 -0.897 0.000 0.800 283 P CB -0.259 31.063 31.700 -0.629 0.000 1.162 284 Y N -0.450 119.864 120.300 0.023 0.000 3.477 284 Y HA -0.202 4.348 4.550 -0.000 0.000 0.216 284 Y C 0.426 176.430 175.900 0.174 0.000 1.296 284 Y CA 0.419 58.613 58.100 0.157 0.000 1.535 284 Y CB -2.864 35.768 38.460 0.287 0.000 1.482 284 Y HN 0.222 nan 8.280 nan 0.000 0.597 285 D N 0.345 120.868 120.400 0.204 0.000 2.587 285 D HA 0.217 4.857 4.640 -0.000 0.000 0.233 285 D C 0.342 176.819 176.300 0.295 0.000 1.213 285 D CA 0.745 54.885 54.000 0.233 0.000 0.827 285 D CB 0.005 40.836 40.800 0.051 0.000 1.006 285 D HN 0.742 nan 8.370 nan 0.000 0.490 286 E N -1.133 119.249 120.200 0.303 0.000 2.377 286 E HA 0.369 4.719 4.350 -0.000 0.000 0.277 286 E C -1.461 175.307 176.600 0.280 0.000 1.190 286 E CA -1.080 55.465 56.400 0.242 0.000 0.917 286 E CB 0.300 30.128 29.700 0.214 0.000 1.296 286 E HN 0.032 nan 8.360 nan 0.000 0.417 287 F N -0.871 119.076 119.950 -0.004 0.000 2.745 287 F HA 0.810 5.337 4.527 -0.000 0.000 0.316 287 F C -1.356 174.235 175.800 -0.347 0.000 1.155 287 F CA -0.869 57.068 58.000 -0.106 0.000 0.937 287 F CB 1.267 40.272 39.000 0.008 0.000 1.361 287 F HN 0.516 nan 8.300 nan 0.000 0.472 288 V N 0.263 120.030 119.914 -0.245 0.000 2.823 288 V HA 0.764 4.884 4.120 -0.000 0.000 0.312 288 V C -0.944 174.999 176.094 -0.253 0.000 1.072 288 V CA -0.990 61.009 62.300 -0.502 0.000 0.937 288 V CB 1.454 32.770 31.823 -0.845 0.000 1.013 288 V HN 0.992 nan 8.190 nan 0.000 0.430 289 L N 3.055 124.118 121.223 -0.267 0.000 2.448 289 L HA 0.676 5.016 4.340 -0.000 0.000 0.258 289 L C 1.886 178.605 176.870 -0.252 0.000 1.104 289 L CA -0.262 54.425 54.840 -0.254 0.000 0.800 289 L CB 1.030 42.908 42.059 -0.301 0.000 1.241 289 L HN 0.837 nan 8.230 nan 0.000 0.472 290 A N -0.526 122.155 122.820 -0.233 0.000 2.248 290 A HA -0.083 4.237 4.320 -0.000 0.000 0.210 290 A C 1.757 179.238 177.584 -0.172 0.000 1.174 290 A CA 1.433 53.355 52.037 -0.192 0.000 0.750 290 A CB -0.976 17.920 19.000 -0.173 0.000 0.780 290 A HN 0.894 nan 8.150 nan 0.000 0.478 291 T N -5.274 109.162 114.554 -0.196 0.000 3.065 291 T HA 0.405 4.755 4.350 -0.000 0.000 0.252 291 T C 1.473 176.090 174.700 -0.138 0.000 1.099 291 T CA 1.068 63.066 62.100 -0.172 0.000 1.063 291 T CB 0.268 69.001 68.868 -0.225 0.000 0.948 291 T HN 1.493 nan 8.240 nan 0.000 0.506 292 G N 1.388 110.096 108.800 -0.152 0.000 2.194 292 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 292 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 292 G C -0.284 174.580 174.900 -0.060 0.000 0.987 292 G CA -0.096 44.939 45.100 -0.109 0.000 0.635 292 G HN 0.573 nan 8.290 nan 0.000 0.520 293 D N 0.720 121.070 120.400 -0.084 0.000 2.401 293 D HA 0.346 4.986 4.640 -0.000 0.000 0.254 293 D C 0.227 176.500 176.300 -0.045 0.000 1.192 293 D CA 0.263 54.284 54.000 0.036 0.000 0.885 293 D CB 0.436 41.276 40.800 0.067 0.000 1.147 293 D HN 0.097 nan 8.370 nan 0.000 0.478 294 F N 1.389 121.262 119.950 -0.127 0.000 2.418 294 F HA 0.139 4.666 4.527 -0.000 0.000 0.341 294 F C 0.662 176.173 175.800 -0.481 0.000 1.120 294 F CA -0.235 57.533 58.000 -0.387 0.000 1.232 294 F CB 1.052 39.701 39.000 -0.586 0.000 1.175 294 F HN -0.001 nan 8.300 nan 0.000 0.569 295 V N 4.422 123.976 119.914 -0.599 0.000 2.483 295 V HA 0.161 4.281 4.120 -0.000 0.000 0.297 295 V C -0.919 174.839 176.094 -0.560 0.000 1.027 295 V CA -0.922 61.002 62.300 -0.626 0.000 0.855 295 V CB 1.257 32.366 31.823 -1.189 0.000 0.995 295 V HN 0.567 nan 8.190 nan 0.000 0.424 296 Y N 5.166 125.546 120.300 0.133 0.000 2.960 296 Y HA 0.554 5.104 4.550 -0.000 0.000 0.393 296 Y C 0.332 176.303 175.900 0.119 0.000 1.118 296 Y CA -0.084 58.058 58.100 0.070 0.000 1.850 296 Y CB 0.283 38.680 38.460 -0.105 0.000 1.827 296 Y HN 0.590 nan 8.280 nan 0.000 0.463 297 M N 0.070 119.809 119.600 0.233 0.000 2.446 297 M HA 0.450 4.930 4.480 -0.000 0.000 0.294 297 M C -0.736 175.792 176.300 0.381 0.000 1.158 297 M CA -0.725 54.727 55.300 0.253 0.000 0.899 297 M CB 1.875 34.629 32.600 0.257 0.000 1.687 297 M HN 0.025 nan 8.290 nan 0.000 0.455 298 S N 3.614 119.542 115.700 0.380 0.000 2.533 298 S HA 0.257 4.727 4.470 -0.000 0.000 0.282 298 S C -1.936 172.857 174.600 0.322 0.000 1.304 298 S CA -0.981 57.447 58.200 0.380 0.000 1.063 298 S CB 0.585 64.035 63.200 0.417 0.000 0.881 298 S HN 0.604 nan 8.310 nan 0.000 0.493 299 P HA -0.043 nan 4.420 nan 0.000 0.224 299 P C 0.035 177.189 177.300 -0.243 0.000 1.142 299 P CA 1.205 64.045 63.100 -0.433 0.000 0.778 299 P CB -0.041 30.948 31.700 -1.185 0.000 0.764 300 F N -4.740 115.368 119.950 0.264 0.000 2.678 300 F HA 0.210 4.737 4.527 -0.000 0.000 0.305 300 F C 1.217 177.318 175.800 0.502 0.000 1.090 300 F CA -0.917 57.251 58.000 0.280 0.000 1.272 300 F CB -0.565 38.474 39.000 0.065 0.000 1.060 300 F HN -0.170 nan 8.300 nan 0.000 0.576 301 Y N 1.585 122.117 120.300 0.385 0.000 2.469 301 Y HA 0.407 4.957 4.550 -0.000 0.000 0.353 301 Y C 0.800 176.661 175.900 -0.064 0.000 1.269 301 Y CA 0.954 59.112 58.100 0.097 0.000 1.504 301 Y CB 0.199 38.589 38.460 -0.117 0.000 1.369 301 Y HN 0.180 nan 8.280 nan 0.000 0.654 302 G N 1.303 109.476 108.800 -1.045 0.000 2.352 302 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.283 302 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.283 302 G C -0.937 173.548 174.900 -0.691 0.000 1.308 302 G CA -0.243 44.380 45.100 -0.795 0.000 0.892 302 G HN 0.608 nan 8.290 nan 0.000 0.504 303 Y N 0.604 120.687 120.300 -0.361 0.000 2.500 303 Y HA 0.218 4.768 4.550 -0.000 0.000 0.284 303 Y C 1.963 177.709 175.900 -0.255 0.000 1.118 303 Y CA 0.130 58.069 58.100 -0.269 0.000 1.241 303 Y CB 0.331 38.675 38.460 -0.193 0.000 1.171 303 Y HN 0.461 nan 8.280 nan 0.000 0.540 304 R N 1.901 122.265 120.500 -0.226 0.000 2.308 304 R HA 0.204 4.544 4.340 -0.000 0.000 0.305 304 R C -0.513 175.707 176.300 -0.133 0.000 1.053 304 R CA -0.370 55.611 56.100 -0.200 0.000 0.957 304 R CB 0.260 30.392 30.300 -0.280 0.000 1.022 304 R HN 0.286 nan 8.270 nan 0.000 0.461 305 E N 1.376 121.580 120.200 0.006 0.000 2.287 305 E HA -0.246 4.104 4.350 -0.000 0.000 0.229 305 E C 0.589 177.233 176.600 0.073 0.000 1.194 305 E CA 0.500 56.937 56.400 0.062 0.000 0.704 305 E CB -1.521 28.234 29.700 0.092 0.000 1.216 305 E HN 1.189 nan 8.360 nan 0.000 0.381 306 G N -0.779 108.076 108.800 0.091 0.000 2.234 306 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.260 306 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.260 306 G C 1.089 175.866 174.900 -0.205 0.000 0.987 306 G CA 0.635 45.654 45.100 -0.135 0.000 0.625 306 G HN 0.453 nan 8.290 nan 0.000 0.532 307 S N 0.946 116.619 115.700 -0.044 0.000 2.389 307 S HA -0.247 4.223 4.470 -0.000 0.000 0.231 307 S C 2.007 176.410 174.600 -0.328 0.000 1.052 307 S CA 2.015 60.157 58.200 -0.097 0.000 1.053 307 S CB -0.557 62.472 63.200 -0.284 0.000 0.886 307 S HN 0.974 nan 8.310 nan 0.000 0.456 308 H N 0.977 119.826 119.070 -0.368 0.000 2.521 308 H HA 0.021 4.577 4.556 -0.000 0.000 0.286 308 H C 1.683 176.942 175.328 -0.116 0.000 1.034 308 H CA 1.535 57.332 56.048 -0.419 0.000 1.278 308 H CB -1.196 28.463 29.762 -0.173 0.000 1.386 308 H HN 0.544 nan 8.280 nan 0.000 0.567 309 T N -1.564 112.721 114.554 -0.448 0.000 3.129 309 T HA 0.046 4.396 4.350 -0.000 0.000 0.251 309 T C 0.598 175.297 174.700 -0.002 0.000 1.117 309 T CA -0.366 61.615 62.100 -0.199 0.000 1.034 309 T CB 0.400 69.113 68.868 -0.258 0.000 0.968 309 T HN 0.143 nan 8.240 nan 0.000 0.526 310 E N 2.165 122.402 120.200 0.061 0.000 2.408 310 E HA 0.134 4.484 4.350 -0.000 0.000 0.259 310 E C -0.052 176.746 176.600 0.329 0.000 1.110 310 E CA -0.172 56.363 56.400 0.225 0.000 0.929 310 E CB 0.437 30.324 29.700 0.312 0.000 0.971 310 E HN 0.559 nan 8.360 nan 0.000 0.438 311 H N 0.067 119.262 119.070 0.208 0.000 2.852 311 H HA 0.154 4.710 4.556 -0.000 0.000 0.362 311 H C -0.554 174.834 175.328 0.100 0.000 1.122 311 H CA 0.801 56.934 56.048 0.141 0.000 1.419 311 H CB 0.713 30.531 29.762 0.095 0.000 1.401 311 H HN 0.312 nan 8.280 nan 0.000 0.609 312 T N 2.273 116.173 114.554 -1.090 0.000 3.159 312 T HA 0.269 4.619 4.350 -0.000 0.000 0.343 312 T C -0.281 173.890 174.700 -0.881 0.000 1.364 312 T CA -0.326 61.267 62.100 -0.845 0.000 1.102 312 T CB 0.707 69.143 68.868 -0.721 0.000 1.263 312 T HN 0.607 nan 8.240 nan 0.000 0.477 313 S N 2.539 117.850 115.700 -0.649 0.000 2.559 313 S HA 0.332 4.802 4.470 -0.000 0.000 0.226 313 S C -0.376 173.871 174.600 -0.589 0.000 1.000 313 S CA -0.206 57.657 58.200 -0.561 0.000 0.948 313 S CB 0.003 62.891 63.200 -0.521 0.000 0.870 313 S HN 0.676 nan 8.310 nan 0.000 0.497 314 Y N 1.134 121.359 120.300 -0.125 0.000 2.567 314 Y HA 0.740 5.290 4.550 -0.000 0.000 0.333 314 Y C 0.847 176.717 175.900 -0.050 0.000 1.106 314 Y CA -1.265 56.797 58.100 -0.063 0.000 1.157 314 Y CB 0.460 38.901 38.460 -0.033 0.000 1.277 314 Y HN 0.070 nan 8.280 nan 0.000 0.490 315 A N 0.688 123.609 122.820 0.169 0.000 2.251 315 A HA 0.461 4.781 4.320 -0.000 0.000 0.277 315 A C 1.325 178.986 177.584 0.128 0.000 1.313 315 A CA 0.530 52.633 52.037 0.109 0.000 0.813 315 A CB -0.781 18.275 19.000 0.094 0.000 1.210 315 A HN 0.966 nan 8.150 nan 0.000 0.509 316 A N -2.067 120.823 122.820 0.117 0.000 1.973 316 A HA 0.128 4.448 4.320 -0.000 0.000 0.210 316 A C 1.533 179.200 177.584 0.138 0.000 1.200 316 A CA 1.487 53.615 52.037 0.152 0.000 0.707 316 A CB -0.458 18.615 19.000 0.123 0.000 0.862 316 A HN 0.742 nan 8.150 nan 0.000 0.461 317 D N -0.189 120.264 120.400 0.089 0.000 2.378 317 D HA -0.061 4.579 4.640 -0.000 0.000 0.222 317 D C 1.958 178.290 176.300 0.053 0.000 0.980 317 D CA 0.682 54.715 54.000 0.054 0.000 0.907 317 D CB -0.018 40.809 40.800 0.045 0.000 0.899 317 D HN 0.458 nan 8.370 nan 0.000 0.527 318 R N -1.027 119.528 120.500 0.092 0.000 2.075 318 R HA 0.078 4.418 4.340 -0.000 0.000 0.220 318 R C 0.632 176.998 176.300 0.110 0.000 1.118 318 R CA -0.032 56.115 56.100 0.079 0.000 0.986 318 R CB -0.105 30.230 30.300 0.058 0.000 0.884 318 R HN 0.138 nan 8.270 nan 0.000 0.439 319 F N 2.041 122.005 119.950 0.023 0.000 2.389 319 F HA 0.272 4.799 4.527 -0.000 0.000 0.337 319 F C -0.470 175.320 175.800 -0.017 0.000 1.112 319 F CA 0.102 58.120 58.000 0.031 0.000 1.192 319 F CB 0.769 39.816 39.000 0.078 0.000 1.185 319 F HN -0.305 nan 8.300 nan 0.000 0.552 320 K N 4.337 124.148 120.400 -0.983 0.000 2.588 320 K HA 0.166 4.486 4.320 -0.000 0.000 0.250 320 K C -1.566 174.448 176.600 -0.977 0.000 0.972 320 K CA -0.697 55.123 56.287 -0.777 0.000 0.821 320 K CB 1.845 33.913 32.500 -0.720 0.000 1.249 320 K HN 0.659 nan 8.250 nan 0.000 0.442 321 Q N 2.717 122.085 119.800 -0.720 0.000 2.325 321 Q HA 0.441 4.781 4.340 -0.000 0.000 0.262 321 Q C -1.277 174.593 176.000 -0.217 0.000 0.968 321 Q CA -0.752 54.723 55.803 -0.546 0.000 0.877 321 Q CB 1.449 29.859 28.738 -0.548 0.000 1.253 321 Q HN 0.334 nan 8.270 nan 0.000 0.448 322 V N 5.634 125.444 119.914 -0.174 0.000 2.275 322 V HA 0.151 4.271 4.120 -0.000 0.000 0.272 322 V C -0.443 175.655 176.094 0.006 0.000 1.028 322 V CA -0.927 61.361 62.300 -0.019 0.000 0.810 322 V CB 0.840 32.707 31.823 0.073 0.000 1.043 322 V HN 0.859 nan 8.190 nan 0.000 0.453 323 D N 3.437 123.845 120.400 0.014 0.000 2.372 323 D HA 0.317 4.957 4.640 -0.000 0.000 0.243 323 D C 0.944 177.267 176.300 0.039 0.000 1.121 323 D CA 0.388 54.399 54.000 0.018 0.000 0.898 323 D CB 1.448 42.254 40.800 0.010 0.000 1.202 323 D HN 0.896 nan 8.370 nan 0.000 0.428 324 G N 1.156 109.951 108.800 -0.007 0.000 2.326 324 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.286 324 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.286 324 G C -0.417 174.368 174.900 -0.192 0.000 1.096 324 G CA -0.103 44.935 45.100 -0.103 0.000 1.003 324 G HN 0.553 nan 8.290 nan 0.000 0.503 325 F N 1.429 121.181 119.950 -0.331 0.000 2.411 325 F HA 0.678 5.205 4.527 -0.000 0.000 0.355 325 F C -0.092 175.472 175.800 -0.394 0.000 1.117 325 F CA -1.492 56.364 58.000 -0.240 0.000 1.139 325 F CB 0.581 39.513 39.000 -0.115 0.000 1.120 325 F HN 0.164 nan 8.300 nan 0.000 0.493 326 Y N 5.383 125.281 120.300 -0.669 0.000 2.402 326 Y HA 0.581 5.131 4.550 -0.000 0.000 0.332 326 Y C 0.269 175.665 175.900 -0.840 0.000 0.960 326 Y CA -1.066 56.708 58.100 -0.543 0.000 1.228 326 Y CB 0.984 39.274 38.460 -0.282 0.000 1.120 326 Y HN 0.758 nan 8.280 nan 0.000 0.491 327 A N 4.368 126.855 122.820 -0.554 0.000 2.409 327 A HA 0.371 4.691 4.320 -0.000 0.000 0.267 327 A C 0.306 177.801 177.584 -0.149 0.000 1.127 327 A CA -0.736 51.082 52.037 -0.364 0.000 0.795 327 A CB 0.201 19.235 19.000 0.057 0.000 1.061 327 A HN 0.832 nan 8.150 nan 0.000 0.502 328 R N 3.718 124.140 120.500 -0.131 0.000 2.308 328 R HA 0.047 4.387 4.340 -0.000 0.000 0.325 328 R C -0.699 175.549 176.300 -0.087 0.000 1.161 328 R CA -0.454 55.589 56.100 -0.094 0.000 1.022 328 R CB 0.140 30.380 30.300 -0.100 0.000 1.091 328 R HN 0.820 nan 8.270 nan 0.000 0.497 329 D N 4.687 125.049 120.400 -0.063 0.000 2.493 329 D HA -0.087 4.553 4.640 -0.000 0.000 0.240 329 D C 1.150 177.369 176.300 -0.134 0.000 1.142 329 D CA 0.208 54.167 54.000 -0.068 0.000 0.872 329 D CB 0.961 41.759 40.800 -0.003 0.000 1.173 329 D HN 0.617 nan 8.370 nan 0.000 0.467 330 L N 2.951 123.994 121.223 -0.300 0.000 2.072 330 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 330 L C 2.433 179.219 176.870 -0.141 0.000 1.079 330 L CA 0.873 55.445 54.840 -0.446 0.000 0.752 330 L CB -0.422 40.862 42.059 -1.292 0.000 0.906 330 L HN 0.446 nan 8.230 nan 0.000 0.436 331 T N -1.114 113.498 114.554 0.098 0.000 2.735 331 T HA -0.141 4.209 4.350 -0.000 0.000 0.256 331 T C 1.924 176.687 174.700 0.104 0.000 1.042 331 T CA 1.958 64.197 62.100 0.231 0.000 1.147 331 T CB -0.295 68.772 68.868 0.331 0.000 0.865 331 T HN 0.494 nan 8.240 nan 0.000 0.421 332 T N -0.367 114.232 114.554 0.075 0.000 2.985 332 T HA 0.074 4.424 4.350 -0.000 0.000 0.266 332 T C 1.165 175.873 174.700 0.015 0.000 1.076 332 T CA 1.044 63.169 62.100 0.043 0.000 1.135 332 T CB -0.260 68.631 68.868 0.039 0.000 0.890 332 T HN 0.492 nan 8.240 nan 0.000 0.480 333 K N -0.159 120.238 120.400 -0.006 0.000 3.587 333 K HA -0.134 4.186 4.320 -0.000 0.000 0.294 333 K C 0.372 176.955 176.600 -0.029 0.000 1.279 333 K CA 0.538 56.807 56.287 -0.029 0.000 1.004 333 K CB -2.147 30.339 32.500 -0.023 0.000 1.276 333 K HN 0.639 nan 8.250 nan 0.000 0.459 334 A N 2.561 125.372 122.820 -0.014 0.000 2.410 334 A HA 0.271 4.591 4.320 -0.000 0.000 0.292 334 A C 0.455 178.029 177.584 -0.017 0.000 1.232 334 A CA -0.081 51.947 52.037 -0.014 0.000 0.893 334 A CB 0.092 19.091 19.000 -0.001 0.000 1.131 334 A HN 0.190 nan 8.150 nan 0.000 0.530 335 R N 1.196 121.677 120.500 -0.033 0.000 2.827 335 R HA 0.297 4.637 4.340 -0.000 0.000 0.269 335 R C 0.674 176.973 176.300 -0.003 0.000 1.048 335 R CA 0.441 56.519 56.100 -0.036 0.000 1.173 335 R CB 0.501 30.762 30.300 -0.064 0.000 1.070 335 R HN 0.792 nan 8.270 nan 0.000 0.498 336 A N 0.496 123.330 122.820 0.024 0.000 2.388 336 A HA 0.109 4.429 4.320 -0.000 0.000 0.257 336 A C 1.163 178.828 177.584 0.137 0.000 1.095 336 A CA -0.215 51.865 52.037 0.072 0.000 0.791 336 A CB 0.427 19.467 19.000 0.068 0.000 1.029 336 A HN 0.849 nan 8.150 nan 0.000 0.489 337 T N -0.814 113.805 114.554 0.108 0.000 3.100 337 T HA 0.440 4.790 4.350 -0.000 0.000 0.253 337 T C 0.582 175.401 174.700 0.198 0.000 1.118 337 T CA 0.681 62.848 62.100 0.112 0.000 1.058 337 T CB -0.204 68.699 68.868 0.057 0.000 0.953 337 T HN 1.220 nan 8.240 nan 0.000 0.515 338 A N 2.082 125.014 122.820 0.188 0.000 2.355 338 A HA 0.808 5.128 4.320 -0.000 0.000 0.324 338 A C -2.990 174.561 177.584 -0.054 0.000 1.117 338 A CA -2.178 49.933 52.037 0.124 0.000 0.785 338 A CB 1.295 20.333 19.000 0.063 0.000 1.254 338 A HN 0.186 nan 8.150 nan 0.000 0.453 339 P HA 0.574 nan 4.420 nan 0.000 0.281 339 P C -0.469 176.714 177.300 -0.195 0.000 1.249 339 P CA -0.109 62.651 63.100 -0.566 0.000 0.810 339 P CB 1.458 32.913 31.700 -0.407 0.000 1.008 340 T N -2.923 111.561 114.554 -0.117 0.000 2.894 340 T HA 0.411 4.761 4.350 -0.000 0.000 0.309 340 T C -0.618 174.121 174.700 0.064 0.000 1.208 340 T CA -0.692 61.429 62.100 0.035 0.000 1.016 340 T CB 0.599 69.535 68.868 0.114 0.000 1.192 340 T HN 0.092 nan 8.240 nan 0.000 0.491 341 T N 2.452 117.052 114.554 0.077 0.000 2.737 341 T HA 0.440 4.790 4.350 -0.000 0.000 0.296 341 T C 0.027 174.697 174.700 -0.050 0.000 0.922 341 T CA -0.231 61.897 62.100 0.047 0.000 1.079 341 T CB 0.016 68.978 68.868 0.155 0.000 0.892 341 T HN 0.529 nan 8.240 nan 0.000 0.514 342 R N 3.828 124.212 120.500 -0.193 0.000 2.229 342 R HA 0.340 4.680 4.340 -0.000 0.000 0.332 342 R C -0.524 175.487 176.300 -0.482 0.000 0.989 342 R CA -0.613 55.233 56.100 -0.425 0.000 0.842 342 R CB 0.060 29.832 30.300 -0.880 0.000 1.119 342 R HN 0.379 nan 8.270 nan 0.000 0.456 343 N N 3.555 121.876 118.700 -0.631 0.000 2.472 343 N HA 0.308 5.048 4.740 -0.000 0.000 0.277 343 N C -1.186 173.915 175.510 -0.682 0.000 1.081 343 N CA -0.189 52.299 53.050 -0.937 0.000 0.973 343 N CB 0.997 38.452 38.487 -1.719 0.000 1.105 343 N HN 0.327 nan 8.380 nan 0.000 0.470 344 L N 2.798 123.685 121.223 -0.561 0.000 2.442 344 L HA 0.377 4.717 4.340 -0.000 0.000 0.261 344 L C -0.945 175.959 176.870 0.056 0.000 1.000 344 L CA -0.404 54.379 54.840 -0.096 0.000 0.882 344 L CB 1.262 43.291 42.059 -0.049 0.000 1.207 344 L HN 0.328 nan 8.230 nan 0.000 0.443 345 L N 2.492 123.988 121.223 0.454 0.000 2.275 345 L HA 0.643 4.983 4.340 -0.000 0.000 0.288 345 L C 0.107 177.085 176.870 0.180 0.000 1.046 345 L CA 0.448 55.512 54.840 0.373 0.000 0.805 345 L CB 1.615 43.977 42.059 0.505 0.000 1.193 345 L HN 0.510 nan 8.230 nan 0.000 0.426 346 T N 3.470 118.048 114.554 0.041 0.000 3.145 346 T HA 0.278 4.628 4.350 -0.000 0.000 0.362 346 T C 0.353 174.956 174.700 -0.161 0.000 1.340 346 T CA -0.277 61.824 62.100 0.003 0.000 1.069 346 T CB -0.092 68.808 68.868 0.053 0.000 1.129 346 T HN 0.819 nan 8.240 nan 0.000 0.585 347 T N 1.139 115.494 114.554 -0.331 0.000 2.726 347 T HA 0.231 4.581 4.350 -0.000 0.000 0.294 347 T C -1.602 172.932 174.700 -0.275 0.000 1.013 347 T CA -1.539 60.282 62.100 -0.465 0.000 0.996 347 T CB 0.525 68.892 68.868 -0.834 0.000 1.016 347 T HN 0.020 nan 8.240 nan 0.000 0.529 348 P HA 0.025 nan 4.420 nan 0.000 0.220 348 P C 1.100 178.356 177.300 -0.074 0.000 1.148 348 P CA 1.154 64.223 63.100 -0.052 0.000 0.803 348 P CB 0.114 31.818 31.700 0.007 0.000 0.782 349 K N -2.031 118.241 120.400 -0.214 0.000 2.355 349 K HA 0.210 4.530 4.320 -0.000 0.000 0.198 349 K C 0.238 176.840 176.600 0.003 0.000 1.039 349 K CA 0.280 56.501 56.287 -0.110 0.000 1.075 349 K CB 0.530 33.004 32.500 -0.042 0.000 0.870 349 K HN 0.238 nan 8.250 nan 0.000 0.540 350 F N -2.461 117.490 119.950 0.002 0.000 2.926 350 F HA 0.371 4.898 4.527 -0.000 0.000 0.321 350 F C -1.312 174.551 175.800 0.106 0.000 1.168 350 F CA -1.206 56.836 58.000 0.070 0.000 0.890 350 F CB 0.841 39.855 39.000 0.024 0.000 1.357 350 F HN -0.404 nan 8.300 nan 0.000 0.468 351 T N 1.814 116.709 114.554 0.568 0.000 2.829 351 T HA 0.677 5.027 4.350 -0.000 0.000 0.280 351 T C -1.090 173.978 174.700 0.614 0.000 0.999 351 T CA -0.592 61.795 62.100 0.478 0.000 0.983 351 T CB 1.626 70.706 68.868 0.353 0.000 0.968 351 T HN 1.075 nan 8.240 nan 0.000 0.446 352 V N 0.301 120.561 119.914 0.577 0.000 2.487 352 V HA 0.965 5.085 4.120 -0.000 0.000 0.298 352 V C -0.259 176.256 176.094 0.702 0.000 1.028 352 V CA -1.281 61.352 62.300 0.555 0.000 0.860 352 V CB 1.062 33.173 31.823 0.479 0.000 0.991 352 V HN 1.038 nan 8.190 nan 0.000 0.427 353 A N 5.744 128.927 122.820 0.605 0.000 2.304 353 A HA 0.950 5.270 4.320 -0.000 0.000 0.323 353 A C -0.830 177.107 177.584 0.588 0.000 1.195 353 A CA -0.575 51.764 52.037 0.504 0.000 0.826 353 A CB 0.816 20.006 19.000 0.315 0.000 1.184 353 A HN 1.847 nan 8.150 nan 0.000 0.496 354 W N 1.689 123.062 121.300 0.121 0.000 3.259 354 W HA 0.562 5.222 4.660 -0.000 0.000 0.331 354 W C -1.530 175.038 176.519 0.082 0.000 1.144 354 W CA -1.001 56.423 57.345 0.132 0.000 1.227 354 W CB 0.727 30.332 29.460 0.241 0.000 1.371 354 W HN 0.501 nan 8.180 nan 0.000 0.491 355 D N 2.822 123.268 120.400 0.076 0.000 2.472 355 D HA -0.070 4.570 4.640 -0.000 0.000 0.248 355 D C -0.459 175.816 176.300 -0.042 0.000 1.174 355 D CA 0.643 54.636 54.000 -0.013 0.000 0.883 355 D CB 0.501 41.342 40.800 0.067 0.000 1.149 355 D HN 0.578 nan 8.370 nan 0.000 0.488 356 W N 4.178 125.323 121.300 -0.258 0.000 2.218 356 W HA 0.369 5.029 4.660 -0.000 0.000 0.326 356 W C -0.606 175.890 176.519 -0.038 0.000 1.276 356 W CA -0.406 56.831 57.345 -0.180 0.000 1.210 356 W CB 0.562 29.910 29.460 -0.185 0.000 1.143 356 W HN 0.206 nan 8.180 nan 0.000 0.563 357 V N 3.468 122.653 119.914 -1.215 0.000 3.049 357 V HA 0.609 4.729 4.120 -0.000 0.000 0.309 357 V C -2.639 172.531 176.094 -1.540 0.000 1.148 357 V CA -3.190 58.385 62.300 -1.209 0.000 0.990 357 V CB 1.390 32.951 31.823 -0.436 0.000 1.039 357 V HN 0.508 nan 8.190 nan 0.000 0.430 358 P HA 0.090 nan 4.420 nan 0.000 0.261 358 P C 0.527 177.532 177.300 -0.492 0.000 1.183 358 P CA 0.287 63.048 63.100 -0.564 0.000 0.761 358 P CB 0.624 32.154 31.700 -0.282 0.000 0.785 359 K N 4.976 125.022 120.400 -0.590 0.000 1.965 359 K HA -0.197 4.123 4.320 -0.000 0.000 0.214 359 K C 1.745 177.825 176.600 -0.866 0.000 1.046 359 K CA 1.444 56.924 56.287 -1.345 0.000 0.944 359 K CB -0.144 31.542 32.500 -1.357 0.000 0.726 359 K HN 0.208 nan 8.250 nan 0.000 0.441 360 R N 0.015 120.208 120.500 -0.512 0.000 2.113 360 R HA -0.144 4.196 4.340 -0.000 0.000 0.244 360 R C -0.688 175.453 176.300 -0.265 0.000 1.142 360 R CA 1.998 57.896 56.100 -0.336 0.000 0.953 360 R CB -1.218 28.958 30.300 -0.207 0.000 0.860 360 R HN 0.391 nan 8.270 nan 0.000 0.438 361 P HA 0.065 nan 4.420 nan 0.000 0.231 361 P C 0.538 177.755 177.300 -0.137 0.000 1.168 361 P CA 1.027 64.040 63.100 -0.146 0.000 0.779 361 P CB 0.358 31.989 31.700 -0.114 0.000 0.844 362 S N -1.072 114.493 115.700 -0.226 0.000 2.503 362 S HA 0.114 4.583 4.470 -0.000 0.000 0.217 362 S C 0.936 175.433 174.600 -0.171 0.000 0.999 362 S CA 0.092 58.204 58.200 -0.147 0.000 0.914 362 S CB -0.242 62.862 63.200 -0.159 0.000 0.782 362 S HN 0.037 nan 8.310 nan 0.000 0.520 363 V N -2.004 117.728 119.914 -0.304 0.000 3.040 363 V HA 0.864 4.984 4.120 -0.000 0.000 0.312 363 V C -0.764 175.269 176.094 -0.102 0.000 1.115 363 V CA -1.238 60.910 62.300 -0.253 0.000 0.998 363 V CB 1.418 32.877 31.823 -0.607 0.000 1.042 363 V HN 0.100 nan 8.190 nan 0.000 0.433 364 c N 2.081 120.696 118.600 0.025 0.000 3.006 364 c HA 0.622 5.192 4.570 -0.000 0.000 0.359 364 c C 1.418 175.584 174.090 0.127 0.000 1.103 364 c CA 0.561 56.925 56.329 0.058 0.000 1.286 364 c CB 1.380 43.924 42.510 0.056 0.000 1.694 364 c HN 1.325 nan 8.230 nan 0.000 0.511 365 T N 1.702 116.317 114.554 0.102 0.000 3.085 365 T HA 0.177 4.527 4.350 -0.000 0.000 0.263 365 T C 0.776 175.508 174.700 0.054 0.000 1.127 365 T CA 0.581 62.734 62.100 0.087 0.000 1.103 365 T CB -0.050 68.837 68.868 0.031 0.000 0.921 365 T HN 0.585 nan 8.240 nan 0.000 0.510 366 M N 1.433 121.072 119.600 0.066 0.000 2.762 366 M HA 0.511 4.991 4.480 -0.000 0.000 0.306 366 M C -0.744 175.697 176.300 0.234 0.000 1.223 366 M CA -0.354 55.017 55.300 0.117 0.000 0.896 366 M CB 1.796 34.436 32.600 0.067 0.000 1.684 366 M HN -0.073 nan 8.290 nan 0.000 0.491 367 T N 1.004 115.757 114.554 0.332 0.000 2.937 367 T HA 0.227 4.577 4.350 -0.000 0.000 0.297 367 T C -0.433 174.442 174.700 0.292 0.000 0.991 367 T CA -0.814 61.477 62.100 0.317 0.000 0.990 367 T CB 1.758 70.742 68.868 0.194 0.000 0.991 367 T HN 0.579 nan 8.240 nan 0.000 0.440 368 K N 2.531 122.980 120.400 0.081 0.000 2.437 368 K HA -0.037 4.283 4.320 -0.000 0.000 0.277 368 K C 0.091 176.633 176.600 -0.095 0.000 1.073 368 K CA 0.114 56.075 56.287 -0.544 0.000 1.105 368 K CB 0.311 32.542 32.500 -0.449 0.000 0.881 368 K HN 0.709 nan 8.250 nan 0.000 0.475 369 W N 4.007 125.149 121.300 -0.263 0.000 2.924 369 W HA 0.107 4.767 4.660 -0.000 0.000 0.273 369 W C -0.142 176.319 176.519 -0.097 0.000 1.046 369 W CA 0.681 57.975 57.345 -0.085 0.000 1.788 369 W CB 0.564 30.046 29.460 0.038 0.000 1.127 369 W HN 0.452 nan 8.180 nan 0.000 0.571 370 Q N 1.445 121.073 119.800 -0.287 0.000 2.356 370 Q HA 0.256 4.596 4.340 -0.000 0.000 0.270 370 Q C -1.280 174.559 176.000 -0.268 0.000 1.058 370 Q CA -0.462 55.052 55.803 -0.482 0.000 0.802 370 Q CB 2.133 30.417 28.738 -0.757 0.000 1.303 370 Q HN 0.215 nan 8.270 nan 0.000 0.444 371 E N 1.151 121.216 120.200 -0.226 0.000 2.216 371 E HA 0.480 4.830 4.350 -0.000 0.000 0.279 371 E C -0.833 175.698 176.600 -0.114 0.000 0.997 371 E CA -0.606 55.711 56.400 -0.139 0.000 0.817 371 E CB 1.815 31.452 29.700 -0.106 0.000 1.096 371 E HN 0.166 nan 8.360 nan 0.000 0.393 372 V N 3.446 123.327 119.914 -0.056 0.000 2.443 372 V HA 0.044 4.164 4.120 -0.000 0.000 0.293 372 V C 0.084 176.197 176.094 0.032 0.000 1.021 372 V CA -0.648 61.638 62.300 -0.022 0.000 0.848 372 V CB 1.446 33.272 31.823 0.005 0.000 0.998 372 V HN 0.633 nan 8.190 nan 0.000 0.424 373 D N 2.790 123.203 120.400 0.022 0.000 2.097 373 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 373 D C 0.845 177.232 176.300 0.145 0.000 0.989 373 D CA 1.618 55.658 54.000 0.067 0.000 0.827 373 D CB 0.331 41.133 40.800 0.003 0.000 0.966 373 D HN 0.869 nan 8.370 nan 0.000 0.456 374 E N -0.270 119.993 120.200 0.105 0.000 2.325 374 E HA 0.392 4.742 4.350 -0.000 0.000 0.248 374 E C -0.978 175.690 176.600 0.113 0.000 0.912 374 E CA -0.537 55.934 56.400 0.118 0.000 0.782 374 E CB 1.549 31.309 29.700 0.101 0.000 1.264 374 E HN -0.045 nan 8.360 nan 0.000 0.417 375 M N 4.639 124.352 119.600 0.190 0.000 2.114 375 M HA 0.327 4.807 4.480 -0.000 0.000 0.332 375 M C -1.716 174.689 176.300 0.175 0.000 1.014 375 M CA -0.559 54.867 55.300 0.210 0.000 0.956 375 M CB 0.941 33.725 32.600 0.307 0.000 1.551 375 M HN 0.596 nan 8.290 nan 0.000 0.427 376 L N 5.418 126.664 121.223 0.039 0.000 2.268 376 L HA 0.455 4.795 4.340 -0.000 0.000 0.289 376 L C 0.382 177.129 176.870 -0.206 0.000 1.064 376 L CA -0.436 54.380 54.840 -0.039 0.000 0.824 376 L CB 0.311 42.306 42.059 -0.107 0.000 1.202 376 L HN 0.702 nan 8.230 nan 0.000 0.433 377 R N 2.964 123.185 120.500 -0.466 0.000 2.543 377 R HA 0.337 4.677 4.340 -0.000 0.000 0.277 377 R C -0.511 175.541 176.300 -0.412 0.000 1.074 377 R CA 0.034 55.585 56.100 -0.915 0.000 1.076 377 R CB 0.939 30.403 30.300 -1.394 0.000 0.993 377 R HN 0.769 nan 8.270 nan 0.000 0.459 378 S N 1.845 117.352 115.700 -0.322 0.000 2.572 378 S HA 0.135 4.605 4.470 -0.000 0.000 0.274 378 S C -0.989 173.634 174.600 0.038 0.000 1.150 378 S CA -1.079 57.084 58.200 -0.062 0.000 0.944 378 S CB 1.724 65.133 63.200 0.349 0.000 1.071 378 S HN 0.721 nan 8.310 nan 0.000 0.479 379 E N 2.249 122.410 120.200 -0.064 0.000 2.044 379 E HA 0.307 4.657 4.350 -0.000 0.000 0.282 379 E C -1.637 174.863 176.600 -0.167 0.000 1.031 379 E CA -0.502 55.961 56.400 0.105 0.000 0.824 379 E CB 0.373 30.163 29.700 0.149 0.000 1.076 379 E HN 0.685 nan 8.360 nan 0.000 0.395 380 Y N 2.498 122.846 120.300 0.080 0.000 2.388 380 Y HA 0.351 4.901 4.550 -0.000 0.000 0.328 380 Y C 0.759 176.677 175.900 0.030 0.000 0.963 380 Y CA -0.376 57.750 58.100 0.043 0.000 1.240 380 Y CB 2.049 40.541 38.460 0.053 0.000 1.118 380 Y HN 0.768 nan 8.280 nan 0.000 0.484 381 G N 2.265 111.134 108.800 0.115 0.000 2.370 381 G HA2 0.009 3.969 3.960 -0.000 0.000 0.293 381 G HA3 0.009 3.969 3.960 -0.000 0.000 0.293 381 G C 0.965 175.889 174.900 0.040 0.000 0.992 381 G CA 0.607 45.750 45.100 0.072 0.000 1.247 381 G HN 1.670 nan 8.290 nan 0.000 0.505 382 G N -1.740 107.060 108.800 -0.001 0.000 2.168 382 G HA2 0.024 3.984 3.960 -0.000 0.000 0.257 382 G HA3 0.024 3.984 3.960 -0.000 0.000 0.257 382 G C 0.442 175.290 174.900 -0.087 0.000 0.997 382 G CA 1.031 46.102 45.100 -0.048 0.000 0.708 382 G HN 1.853 nan 8.290 nan 0.000 0.520 383 S N -1.311 114.357 115.700 -0.054 0.000 2.618 383 S HA 0.835 5.305 4.470 -0.000 0.000 0.277 383 S C -1.138 173.495 174.600 0.055 0.000 1.138 383 S CA -0.752 57.418 58.200 -0.050 0.000 0.844 383 S CB 1.604 64.846 63.200 0.070 0.000 1.127 383 S HN 0.267 nan 8.310 nan 0.000 0.474 384 F N 1.628 121.599 119.950 0.035 0.000 2.450 384 F HA 0.565 5.092 4.527 -0.000 0.000 0.332 384 F C 0.581 176.395 175.800 0.022 0.000 1.093 384 F CA -1.226 56.734 58.000 -0.067 0.000 1.003 384 F CB 1.242 40.097 39.000 -0.241 0.000 1.151 384 F HN 0.296 nan 8.300 nan 0.000 0.474 385 R N 2.792 123.391 120.500 0.166 0.000 2.337 385 R HA 0.355 4.695 4.340 -0.000 0.000 0.319 385 R C -1.417 174.856 176.300 -0.045 0.000 0.954 385 R CA -0.466 55.727 56.100 0.155 0.000 0.840 385 R CB 0.930 31.350 30.300 0.199 0.000 1.164 385 R HN 0.398 nan 8.270 nan 0.000 0.472 386 F N 1.903 121.943 119.950 0.150 0.000 2.467 386 F HA 0.136 4.663 4.527 0.000 0.000 0.349 386 F C 1.189 177.104 175.800 0.191 0.000 1.182 386 F CA -0.174 57.884 58.000 0.097 0.000 1.279 386 F CB 0.689 39.737 39.000 0.082 0.000 1.626 386 F HN 0.401 nan 8.300 nan 0.000 0.596 387 S N 1.653 117.471 115.700 0.197 0.000 2.580 387 S HA 0.337 4.807 4.470 -0.000 0.000 0.266 387 S C 0.310 175.005 174.600 0.158 0.000 1.354 387 S CA -0.134 58.186 58.200 0.200 0.000 1.008 387 S CB 0.927 64.195 63.200 0.114 0.000 0.898 387 S HN 0.465 nan 8.310 nan 0.000 0.555 388 S N 1.581 117.323 115.700 0.070 0.000 2.333 388 S HA 0.243 4.713 4.470 -0.000 0.000 0.208 388 S C -0.354 174.083 174.600 -0.272 0.000 0.911 388 S CA -0.685 57.484 58.200 -0.052 0.000 1.075 388 S CB 0.142 63.334 63.200 -0.014 0.000 1.293 388 S HN 0.738 nan 8.310 nan 0.000 0.396 389 D N 2.851 123.170 120.400 -0.135 0.000 2.190 389 D HA -0.042 4.598 4.640 -0.000 0.000 0.200 389 D C 2.182 178.330 176.300 -0.253 0.000 0.992 389 D CA 1.703 55.600 54.000 -0.173 0.000 0.854 389 D CB -0.071 40.718 40.800 -0.018 0.000 0.936 389 D HN 0.663 nan 8.370 nan 0.000 0.462 390 A N 1.096 123.804 122.820 -0.186 0.000 1.849 390 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 390 A C 2.151 179.600 177.584 -0.225 0.000 1.202 390 A CA 1.837 53.773 52.037 -0.169 0.000 0.629 390 A CB -0.891 18.031 19.000 -0.130 0.000 0.834 390 A HN 0.438 nan 8.150 nan 0.000 0.447 391 I N -4.091 116.319 120.570 -0.266 0.000 3.812 391 I HA 0.225 4.395 4.170 -0.000 0.000 0.320 391 I C 0.125 176.002 176.117 -0.401 0.000 1.276 391 I CA 0.554 61.684 61.300 -0.282 0.000 1.164 391 I CB -0.208 37.640 38.000 -0.254 0.000 1.009 391 I HN 0.130 nan 8.210 nan 0.000 0.431 392 S N 1.122 116.431 115.700 -0.652 0.000 3.628 392 S HA -0.149 4.321 4.470 -0.000 0.000 0.373 392 S C 0.142 174.162 174.600 -0.966 0.000 0.968 392 S CA 1.013 58.513 58.200 -1.167 0.000 1.215 392 S CB -2.145 60.709 63.200 -0.576 0.000 0.912 392 S HN 0.789 nan 8.310 nan 0.000 0.495 393 T N 1.383 115.440 114.554 -0.829 0.000 2.912 393 T HA 0.646 4.996 4.350 -0.000 0.000 0.299 393 T C -0.279 174.206 174.700 -0.358 0.000 1.052 393 T CA -0.611 61.175 62.100 -0.524 0.000 0.996 393 T CB 2.246 70.835 68.868 -0.466 0.000 1.070 393 T HN 0.151 nan 8.240 nan 0.000 0.465 394 T N 2.726 117.040 114.554 -0.400 0.000 2.928 394 T HA 0.647 4.997 4.350 -0.000 0.000 0.296 394 T C -1.123 173.375 174.700 -0.336 0.000 1.000 394 T CA -0.496 61.521 62.100 -0.138 0.000 0.989 394 T CB 0.456 69.385 68.868 0.102 0.000 1.005 394 T HN 0.345 nan 8.240 nan 0.000 0.442 395 F N 1.090 121.120 119.950 0.134 0.000 2.483 395 F HA 0.689 5.216 4.527 -0.000 0.000 0.329 395 F C 0.910 176.866 175.800 0.260 0.000 1.064 395 F CA -0.850 57.254 58.000 0.172 0.000 0.986 395 F CB 1.792 40.893 39.000 0.169 0.000 1.218 395 F HN 0.294 nan 8.300 nan 0.000 0.484 396 T N 0.621 115.441 114.554 0.443 0.000 2.841 396 T HA 0.606 4.956 4.350 -0.000 0.000 0.285 396 T C -0.489 174.407 174.700 0.326 0.000 0.991 396 T CA -0.770 61.537 62.100 0.346 0.000 0.966 396 T CB 1.422 70.440 68.868 0.250 0.000 0.962 396 T HN 0.788 nan 8.240 nan 0.000 0.438 397 T N 0.791 115.524 114.554 0.299 0.000 2.896 397 T HA 0.573 4.923 4.350 -0.000 0.000 0.297 397 T C -0.312 174.439 174.700 0.084 0.000 1.108 397 T CA -1.043 61.197 62.100 0.234 0.000 1.004 397 T CB 1.271 70.338 68.868 0.331 0.000 1.159 397 T HN 0.285 nan 8.240 nan 0.000 0.499 398 N N 0.411 119.154 118.700 0.070 0.000 2.288 398 N HA 0.255 4.995 4.740 -0.000 0.000 0.237 398 N C 1.207 176.612 175.510 -0.175 0.000 1.311 398 N CA -0.513 52.523 53.050 -0.023 0.000 0.909 398 N CB 0.363 38.881 38.487 0.052 0.000 1.167 398 N HN 0.608 nan 8.380 nan 0.000 0.476 399 L N -0.299 120.779 121.223 -0.243 0.000 2.341 399 L HA 0.002 4.342 4.340 -0.000 0.000 0.214 399 L C 1.110 177.959 176.870 -0.035 0.000 1.115 399 L CA 0.518 55.104 54.840 -0.424 0.000 0.820 399 L CB -0.424 41.437 42.059 -0.329 0.000 0.944 399 L HN 0.573 nan 8.230 nan 0.000 0.452 400 T N -3.116 111.500 114.554 0.103 0.000 2.918 400 T HA 0.267 4.617 4.350 -0.000 0.000 0.283 400 T C 0.231 175.134 174.700 0.338 0.000 1.001 400 T CA -0.797 61.424 62.100 0.202 0.000 1.041 400 T CB 1.896 70.837 68.868 0.121 0.000 1.028 400 T HN 0.004 nan 8.240 nan 0.000 0.511 401 E N 0.031 120.372 120.200 0.236 0.000 2.585 401 E HA 0.173 4.523 4.350 -0.000 0.000 0.256 401 E C -1.330 175.372 176.600 0.170 0.000 1.383 401 E CA -0.296 56.146 56.400 0.070 0.000 1.029 401 E CB 0.403 30.069 29.700 -0.057 0.000 1.044 401 E HN 0.680 nan 8.360 nan 0.000 0.595 402 Y N 0.407 120.700 120.300 -0.011 0.000 2.391 402 Y HA 0.300 4.850 4.550 -0.000 0.000 0.341 402 Y C -2.341 173.542 175.900 -0.027 0.000 0.965 402 Y CA -2.540 55.568 58.100 0.012 0.000 1.067 402 Y CB 1.562 40.045 38.460 0.039 0.000 1.199 402 Y HN 0.223 nan 8.280 nan 0.000 0.450 403 P HA 0.196 nan 4.420 nan 0.000 0.276 403 P C 0.455 177.587 177.300 -0.281 0.000 1.264 403 P CA 0.171 63.087 63.100 -0.308 0.000 0.769 403 P CB 0.846 32.346 31.700 -0.333 0.000 0.840 404 L N 1.998 123.110 121.223 -0.186 0.000 2.141 404 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 404 L C 2.290 179.069 176.870 -0.152 0.000 1.094 404 L CA 1.751 56.478 54.840 -0.188 0.000 0.763 404 L CB -0.749 41.116 42.059 -0.323 0.000 0.908 404 L HN 0.404 nan 8.230 nan 0.000 0.437 405 S N -0.242 115.371 115.700 -0.145 0.000 2.440 405 S HA -0.257 4.213 4.470 -0.000 0.000 0.238 405 S C 1.970 176.506 174.600 -0.106 0.000 1.010 405 S CA 0.859 58.992 58.200 -0.112 0.000 0.972 405 S CB -0.486 62.655 63.200 -0.098 0.000 0.774 405 S HN 0.394 nan 8.310 nan 0.000 0.501 406 R N 0.885 121.296 120.500 -0.148 0.000 2.328 406 R HA 0.221 4.561 4.340 -0.000 0.000 0.206 406 R C -0.726 175.539 176.300 -0.059 0.000 0.990 406 R CA 0.056 56.071 56.100 -0.142 0.000 1.085 406 R CB -0.110 30.014 30.300 -0.293 0.000 0.998 406 R HN 0.320 nan 8.270 nan 0.000 0.484 407 V N 1.152 121.043 119.914 -0.039 0.000 2.459 407 V HA 0.076 4.196 4.120 -0.000 0.000 0.295 407 V C -0.198 175.894 176.094 -0.004 0.000 1.029 407 V CA -1.034 61.266 62.300 -0.001 0.000 0.874 407 V CB 1.774 33.592 31.823 -0.009 0.000 0.985 407 V HN 0.045 nan 8.190 nan 0.000 0.438 408 D N 5.124 125.539 120.400 0.024 0.000 2.346 408 D HA 0.201 4.841 4.640 -0.000 0.000 0.260 408 D C 0.371 176.719 176.300 0.079 0.000 1.252 408 D CA 0.169 54.211 54.000 0.069 0.000 0.895 408 D CB 0.174 41.054 40.800 0.134 0.000 1.097 408 D HN 0.574 nan 8.370 nan 0.000 0.489 409 L N 3.211 124.461 121.223 0.046 0.000 3.639 409 L HA -0.200 4.140 4.340 -0.000 0.000 0.648 409 L C 0.473 177.340 176.870 -0.004 0.000 1.130 409 L CA 0.571 55.425 54.840 0.022 0.000 1.057 409 L CB -0.951 41.163 42.059 0.093 0.000 1.428 409 L HN 0.654 nan 8.230 nan 0.000 0.829 410 G N 0.202 108.970 108.800 -0.052 0.000 4.566 410 G HA2 0.461 4.421 3.960 -0.000 0.000 0.307 410 G HA3 0.461 4.421 3.960 -0.000 0.000 0.307 410 G C 0.151 174.976 174.900 -0.126 0.000 1.383 410 G CA -0.302 44.744 45.100 -0.091 0.000 0.910 410 G HN 0.370 nan 8.290 nan 0.000 0.538 411 D N 0.309 120.649 120.400 -0.100 0.000 2.197 411 D HA -0.070 4.570 4.640 -0.000 0.000 0.212 411 D C 2.873 179.124 176.300 -0.082 0.000 0.963 411 D CA 1.377 55.319 54.000 -0.096 0.000 0.864 411 D CB -0.191 40.560 40.800 -0.082 0.000 1.009 411 D HN 0.444 nan 8.370 nan 0.000 0.479 412 c N 1.324 119.897 118.600 -0.045 0.000 2.385 412 c HA -0.209 4.361 4.570 -0.000 0.000 0.275 412 c C 2.587 176.679 174.090 0.002 0.000 1.199 412 c CA 0.300 56.644 56.329 0.024 0.000 1.782 412 c CB -1.562 41.001 42.510 0.089 0.000 2.068 412 c HN 0.269 nan 8.230 nan 0.000 0.471 413 I N 2.116 122.548 120.570 -0.230 0.000 2.053 413 I HA -0.120 4.050 4.170 -0.000 0.000 0.236 413 I C 3.140 179.098 176.117 -0.265 0.000 1.038 413 I CA 2.235 63.122 61.300 -0.688 0.000 1.304 413 I CB -1.533 35.985 38.000 -0.803 0.000 1.023 413 I HN 0.519 nan 8.210 nan 0.000 0.395 414 G N 1.182 109.857 108.800 -0.208 0.000 2.491 414 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 414 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 414 G C 1.687 176.628 174.900 0.069 0.000 1.180 414 G CA 0.805 45.881 45.100 -0.039 0.000 0.774 414 G HN 0.224 nan 8.290 nan 0.000 0.562 415 K N 1.182 121.604 120.400 0.038 0.000 1.987 415 K HA -0.100 4.220 4.320 -0.000 0.000 0.216 415 K C 2.096 178.772 176.600 0.125 0.000 1.051 415 K CA 1.566 57.893 56.287 0.067 0.000 0.942 415 K CB -0.957 31.570 32.500 0.045 0.000 0.722 415 K HN 0.257 nan 8.250 nan 0.000 0.444 416 D N 1.072 121.585 120.400 0.188 0.000 2.116 416 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 416 D C 1.933 178.398 176.300 0.275 0.000 0.998 416 D CA 1.665 55.816 54.000 0.251 0.000 0.836 416 D CB -0.442 40.593 40.800 0.393 0.000 0.951 416 D HN 0.234 nan 8.370 nan 0.000 0.449 417 A N 1.416 124.481 122.820 0.409 0.000 1.869 417 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 417 A C 2.232 179.931 177.584 0.192 0.000 1.203 417 A CA 2.097 54.355 52.037 0.368 0.000 0.638 417 A CB -0.709 18.569 19.000 0.463 0.000 0.831 417 A HN 0.172 nan 8.150 nan 0.000 0.450 418 R N -0.936 119.659 120.500 0.158 0.000 2.115 418 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 418 R C 2.008 178.353 176.300 0.075 0.000 1.111 418 R CA 1.293 57.448 56.100 0.092 0.000 0.976 418 R CB -0.430 29.916 30.300 0.077 0.000 0.870 418 R HN 0.705 nan 8.270 nan 0.000 0.445 419 D N 0.607 121.058 120.400 0.085 0.000 2.149 419 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 419 D C 1.617 177.954 176.300 0.062 0.000 0.990 419 D CA 1.703 55.743 54.000 0.068 0.000 0.839 419 D CB 0.074 40.915 40.800 0.070 0.000 0.948 419 D HN 0.248 nan 8.370 nan 0.000 0.460 420 A N -0.533 122.327 122.820 0.067 0.000 1.997 420 A HA 0.139 4.459 4.320 -0.000 0.000 0.212 420 A C 2.318 179.941 177.584 0.065 0.000 1.178 420 A CA 0.575 52.643 52.037 0.052 0.000 0.698 420 A CB -0.384 18.635 19.000 0.032 0.000 0.842 420 A HN 0.246 nan 8.150 nan 0.000 0.458 421 M N 0.068 119.710 119.600 0.070 0.000 2.159 421 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 421 M C 1.175 177.546 176.300 0.120 0.000 1.063 421 M CA 1.453 56.801 55.300 0.079 0.000 1.110 421 M CB -0.553 32.066 32.600 0.032 0.000 1.374 421 M HN 0.322 nan 8.290 nan 0.000 0.411 422 D N -0.005 120.449 120.400 0.089 0.000 2.097 422 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 422 D C 1.905 178.299 176.300 0.157 0.000 0.984 422 D CA 1.132 55.197 54.000 0.108 0.000 0.826 422 D CB -0.498 40.337 40.800 0.058 0.000 0.973 422 D HN 0.363 nan 8.370 nan 0.000 0.460 423 R N 0.963 121.524 120.500 0.102 0.000 2.083 423 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 423 R C 2.334 178.678 176.300 0.074 0.000 1.137 423 R CA 1.238 57.384 56.100 0.076 0.000 0.951 423 R CB -0.428 29.898 30.300 0.044 0.000 0.851 423 R HN 0.154 nan 8.270 nan 0.000 0.434 424 I N 0.095 120.718 120.570 0.090 0.000 2.394 424 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 424 I C 2.181 178.364 176.117 0.109 0.000 1.136 424 I CA 0.967 62.304 61.300 0.062 0.000 1.425 424 I CB -0.274 37.781 38.000 0.091 0.000 1.079 424 I HN 0.206 nan 8.210 nan 0.000 0.425 425 F N 1.729 121.756 119.950 0.129 0.000 2.128 425 F HA -0.146 4.381 4.527 -0.000 0.000 0.295 425 F C 2.537 178.408 175.800 0.119 0.000 1.100 425 F CA 1.412 59.560 58.000 0.247 0.000 1.260 425 F CB -0.198 38.907 39.000 0.175 0.000 1.009 425 F HN -0.023 nan 8.300 nan 0.000 0.476 426 A N 0.909 123.906 122.820 0.295 0.000 1.865 426 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 426 A C 2.322 179.895 177.584 -0.019 0.000 1.191 426 A CA 2.003 54.133 52.037 0.155 0.000 0.623 426 A CB -1.035 18.053 19.000 0.146 0.000 0.826 426 A HN 0.504 nan 8.150 nan 0.000 0.444 427 R N 0.230 120.698 120.500 -0.054 0.000 2.091 427 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 427 R C 1.579 177.758 176.300 -0.202 0.000 1.136 427 R CA 2.037 58.071 56.100 -0.110 0.000 0.959 427 R CB -0.116 30.119 30.300 -0.108 0.000 0.856 427 R HN 0.666 nan 8.270 nan 0.000 0.437 428 R N -2.877 117.400 120.500 -0.372 0.000 2.527 428 R HA 0.126 4.466 4.340 -0.000 0.000 0.402 428 R C -0.077 175.824 176.300 -0.664 0.000 0.933 428 R CA -0.216 55.574 56.100 -0.517 0.000 1.171 428 R CB 0.103 30.030 30.300 -0.623 0.000 1.612 428 R HN 0.249 nan 8.270 nan 0.000 0.546 429 Y N 0.684 120.743 120.300 -0.402 0.000 2.590 429 Y HA 0.115 4.665 4.550 -0.000 0.000 0.263 429 Y C 1.249 176.553 175.900 -0.993 0.000 1.069 429 Y CA -0.624 57.052 58.100 -0.707 0.000 1.242 429 Y CB 0.688 38.487 38.460 -1.103 0.000 1.357 429 Y HN 0.099 nan 8.280 nan 0.000 0.556 430 N N 1.242 119.657 118.700 -0.476 0.000 2.635 430 N HA -0.070 4.670 4.740 -0.000 0.000 0.191 430 N C 0.812 176.321 175.510 -0.002 0.000 1.155 430 N CA 1.270 54.258 53.050 -0.102 0.000 0.927 430 N CB 0.155 38.670 38.487 0.046 0.000 0.976 430 N HN 0.408 nan 8.380 nan 0.000 0.448 431 A N 0.473 123.263 122.820 -0.049 0.000 1.876 431 A HA 0.096 4.416 4.320 -0.000 0.000 0.193 431 A C 1.922 179.503 177.584 -0.004 0.000 1.883 431 A CA 0.754 52.792 52.037 0.001 0.000 1.052 431 A CB -0.745 18.248 19.000 -0.011 0.000 1.049 431 A HN 0.338 nan 8.150 nan 0.000 0.615 432 T N -1.162 113.387 114.554 -0.009 0.000 3.025 432 T HA 0.061 4.411 4.350 -0.000 0.000 0.270 432 T C 0.667 175.113 174.700 -0.422 0.000 1.126 432 T CA 1.672 63.683 62.100 -0.148 0.000 1.105 432 T CB -0.508 68.309 68.868 -0.085 0.000 0.884 432 T HN 0.579 nan 8.240 nan 0.000 0.522 433 H N -0.057 119.024 119.070 0.018 0.000 2.943 433 H HA 0.764 5.320 4.556 -0.000 0.000 0.323 433 H C -0.598 174.840 175.328 0.184 0.000 1.296 433 H CA -1.204 54.867 56.048 0.037 0.000 1.155 433 H CB 1.514 31.224 29.762 -0.088 0.000 1.882 433 H HN 0.332 nan 8.280 nan 0.000 0.553 434 I N -1.894 118.906 120.570 0.383 0.000 2.802 434 I HA 0.521 4.691 4.170 -0.000 0.000 0.298 434 I C -1.223 175.046 176.117 0.253 0.000 1.176 434 I CA -1.199 60.336 61.300 0.393 0.000 1.025 434 I CB 2.539 40.709 38.000 0.284 0.000 1.243 434 I HN 0.244 nan 8.210 nan 0.000 0.424 435 K N 3.486 123.937 120.400 0.085 0.000 2.326 435 K HA 0.494 4.814 4.320 -0.000 0.000 0.275 435 K C -0.929 175.614 176.600 -0.096 0.000 1.018 435 K CA -0.543 55.686 56.287 -0.096 0.000 0.962 435 K CB 1.764 34.087 32.500 -0.294 0.000 0.953 435 K HN 0.439 nan 8.250 nan 0.000 0.475 436 V N 2.459 122.264 119.914 -0.182 0.000 2.325 436 V HA 0.374 4.494 4.120 -0.000 0.000 0.280 436 V C 0.116 176.026 176.094 -0.308 0.000 1.016 436 V CA -0.534 61.592 62.300 -0.290 0.000 0.818 436 V CB 0.652 32.288 31.823 -0.311 0.000 1.019 436 V HN 1.052 nan 8.190 nan 0.000 0.434 437 G N 4.437 113.023 108.800 -0.357 0.000 2.825 437 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.686 437 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.686 437 G C -0.376 174.415 174.900 -0.182 0.000 1.362 437 G CA -0.803 44.086 45.100 -0.351 0.000 0.975 437 G HN 0.588 nan 8.290 nan 0.000 0.594 438 Q N 1.019 120.752 119.800 -0.111 0.000 2.539 438 Q HA 0.164 4.504 4.340 -0.000 0.000 0.268 438 Q C -1.718 174.218 176.000 -0.107 0.000 1.109 438 Q CA -0.628 55.129 55.803 -0.077 0.000 0.968 438 Q CB -0.433 28.292 28.738 -0.022 0.000 1.309 438 Q HN 0.488 nan 8.270 nan 0.000 0.497 439 P HA -0.067 nan 4.420 nan 0.000 0.265 439 P C -0.594 176.518 177.300 -0.314 0.000 1.187 439 P CA 0.645 63.608 63.100 -0.229 0.000 0.766 439 P CB 0.445 32.023 31.700 -0.204 0.000 0.820 440 Q N 1.233 120.784 119.800 -0.415 0.000 2.306 440 Q HA 0.618 4.958 4.340 -0.000 0.000 0.269 440 Q C -1.099 174.453 176.000 -0.746 0.000 1.053 440 Q CA -0.574 55.000 55.803 -0.382 0.000 0.879 440 Q CB 1.498 30.175 28.738 -0.100 0.000 1.344 440 Q HN 0.393 nan 8.270 nan 0.000 0.464 441 Y N -0.128 119.971 120.300 -0.335 0.000 2.401 441 Y HA 0.438 4.988 4.550 -0.000 0.000 0.330 441 Y C -1.359 174.312 175.900 -0.382 0.000 1.071 441 Y CA -0.773 57.196 58.100 -0.218 0.000 1.049 441 Y CB 1.208 39.622 38.460 -0.077 0.000 1.239 441 Y HN 0.495 nan 8.280 nan 0.000 0.437 442 Y N 1.939 122.367 120.300 0.212 0.000 2.633 442 Y HA 0.721 5.271 4.550 -0.000 0.000 0.339 442 Y C -1.086 174.838 175.900 0.039 0.000 1.045 442 Y CA -1.382 56.826 58.100 0.179 0.000 1.098 442 Y CB 1.678 40.280 38.460 0.236 0.000 1.296 442 Y HN 0.475 nan 8.280 nan 0.000 0.494 443 L N 1.682 123.007 121.223 0.169 0.000 2.329 443 L HA 0.908 5.248 4.340 -0.000 0.000 0.279 443 L C -0.719 176.222 176.870 0.118 0.000 1.014 443 L CA -0.585 54.248 54.840 -0.011 0.000 0.814 443 L CB 1.200 43.082 42.059 -0.296 0.000 1.257 443 L HN 0.739 nan 8.230 nan 0.000 0.424 444 A N 3.564 126.480 122.820 0.159 0.000 2.340 444 A HA 0.586 4.906 4.320 -0.000 0.000 0.331 444 A C -0.521 177.251 177.584 0.314 0.000 1.140 444 A CA -0.868 51.344 52.037 0.292 0.000 0.801 444 A CB 0.469 19.722 19.000 0.421 0.000 1.234 444 A HN 0.749 nan 8.150 nan 0.000 0.469 445 N N 0.518 119.406 118.700 0.312 0.000 2.219 445 N HA 0.154 4.894 4.740 -0.000 0.000 0.263 445 N C 1.214 176.948 175.510 0.372 0.000 1.269 445 N CA 2.089 55.287 53.050 0.246 0.000 0.831 445 N CB 0.568 39.186 38.487 0.219 0.000 1.059 445 N HN 1.461 nan 8.380 nan 0.000 0.475 446 G N 0.563 109.449 108.800 0.143 0.000 2.213 446 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.226 446 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.226 446 G C 0.604 175.483 174.900 -0.035 0.000 0.992 446 G CA 0.210 45.409 45.100 0.166 0.000 0.632 446 G HN 1.390 nan 8.290 nan 0.000 0.511 447 G N -0.954 107.836 108.800 -0.017 0.000 2.203 447 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.231 447 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.231 447 G C 0.006 174.718 174.900 -0.313 0.000 1.058 447 G CA 0.249 45.238 45.100 -0.185 0.000 0.781 447 G HN 1.218 nan 8.290 nan 0.000 0.496 448 F N -0.559 119.428 119.950 0.062 0.000 2.415 448 F HA 0.630 5.157 4.527 -0.000 0.000 0.348 448 F C 0.493 176.291 175.800 -0.004 0.000 1.119 448 F CA -1.210 56.823 58.000 0.055 0.000 1.069 448 F CB 1.663 40.756 39.000 0.155 0.000 1.124 448 F HN 0.105 nan 8.300 nan 0.000 0.472 449 L N 5.765 127.089 121.223 0.169 0.000 2.281 449 L HA 0.492 4.832 4.340 -0.000 0.000 0.285 449 L C -0.642 176.319 176.870 0.152 0.000 1.074 449 L CA -0.146 54.763 54.840 0.115 0.000 0.817 449 L CB 0.233 42.354 42.059 0.103 0.000 1.168 449 L HN 0.436 nan 8.230 nan 0.000 0.434 450 I N 6.086 126.680 120.570 0.040 0.000 2.359 450 I HA 0.406 4.576 4.170 -0.000 0.000 0.284 450 I C 0.160 176.304 176.117 0.045 0.000 1.018 450 I CA -0.634 60.609 61.300 -0.095 0.000 1.173 450 I CB 1.381 39.051 38.000 -0.548 0.000 1.326 450 I HN 0.759 nan 8.210 nan 0.000 0.462 451 A N 6.744 129.652 122.820 0.146 0.000 2.347 451 A HA 0.358 4.678 4.320 -0.000 0.000 0.287 451 A C -1.118 176.463 177.584 -0.005 0.000 1.199 451 A CA 0.104 52.124 52.037 -0.029 0.000 0.851 451 A CB -0.032 19.055 19.000 0.147 0.000 1.118 451 A HN 0.615 nan 8.150 nan 0.000 0.525 452 Y N 1.946 122.143 120.300 -0.172 0.000 2.376 452 Y HA 0.536 5.086 4.550 -0.000 0.000 0.340 452 Y C -0.225 175.657 175.900 -0.031 0.000 0.965 452 Y CA -0.982 57.124 58.100 0.011 0.000 1.078 452 Y CB 1.998 40.636 38.460 0.297 0.000 1.193 452 Y HN 0.662 nan 8.280 nan 0.000 0.452 453 Q N 8.151 127.556 119.800 -0.657 0.000 2.368 453 Q HA 0.504 4.844 4.340 -0.000 0.000 0.263 453 Q C -2.926 172.571 176.000 -0.838 0.000 1.009 453 Q CA -2.717 52.746 55.803 -0.566 0.000 0.818 453 Q CB 1.538 30.085 28.738 -0.317 0.000 1.239 453 Q HN 0.335 nan 8.270 nan 0.000 0.464 454 P HA 0.075 nan 4.420 nan 0.000 0.267 454 P C -0.896 176.238 177.300 -0.277 0.000 1.209 454 P CA 0.313 63.190 63.100 -0.371 0.000 0.763 454 P CB 0.540 32.141 31.700 -0.165 0.000 0.816 455 L N 3.557 124.640 121.223 -0.233 0.000 2.304 455 L HA 0.697 5.037 4.340 -0.000 0.000 0.268 455 L C -0.368 176.460 176.870 -0.069 0.000 1.010 455 L CA -1.084 53.650 54.840 -0.175 0.000 0.813 455 L CB 1.438 43.286 42.059 -0.351 0.000 1.315 455 L HN 0.192 nan 8.230 nan 0.000 0.445 456 L N 0.268 121.513 121.223 0.036 0.000 2.565 456 L HA 0.353 4.693 4.340 -0.000 0.000 0.261 456 L C -0.406 176.576 176.870 0.187 0.000 0.932 456 L CA 0.184 55.081 54.840 0.095 0.000 0.878 456 L CB 2.147 44.217 42.059 0.019 0.000 1.333 456 L HN 0.564 nan 8.230 nan 0.000 0.409 457 S N 1.984 117.776 115.700 0.154 0.000 2.614 457 S HA 0.262 4.732 4.470 -0.000 0.000 0.265 457 S C 0.987 175.557 174.600 -0.050 0.000 1.303 457 S CA -0.162 57.980 58.200 -0.096 0.000 1.000 457 S CB 0.631 63.732 63.200 -0.165 0.000 0.935 457 S HN 0.745 nan 8.310 nan 0.000 0.551 458 N N 1.481 120.116 118.700 -0.107 0.000 2.453 458 N HA -0.027 4.713 4.740 -0.000 0.000 0.183 458 N C 1.503 177.004 175.510 -0.015 0.000 1.041 458 N CA 1.006 54.040 53.050 -0.028 0.000 0.900 458 N CB -0.596 37.869 38.487 -0.036 0.000 0.961 458 N HN 0.551 nan 8.380 nan 0.000 0.443 459 T N 0.295 114.829 114.554 -0.034 0.000 2.639 459 T HA -0.038 4.312 4.350 -0.000 0.000 0.261 459 T C 1.896 176.603 174.700 0.011 0.000 1.053 459 T CA 1.620 63.713 62.100 -0.011 0.000 1.158 459 T CB -0.690 68.169 68.868 -0.015 0.000 0.863 459 T HN 0.283 nan 8.240 nan 0.000 0.413 460 L N 1.294 122.529 121.223 0.020 0.000 2.718 460 L HA 0.794 5.134 4.340 -0.000 0.000 0.242 460 L C 2.264 179.167 176.870 0.055 0.000 1.203 460 L CA 0.620 55.481 54.840 0.034 0.000 1.011 460 L CB -2.173 39.907 42.059 0.034 0.000 1.250 460 L HN 0.507 nan 8.230 nan 0.000 0.437 461 A N -0.753 122.104 122.820 0.061 0.000 2.259 461 A HA 0.185 4.505 4.320 -0.000 0.000 0.212 461 A C 2.221 179.875 177.584 0.118 0.000 1.178 461 A CA 1.550 53.649 52.037 0.103 0.000 0.734 461 A CB -0.530 18.523 19.000 0.090 0.000 0.774 461 A HN 1.107 nan 8.150 nan 0.000 0.481 462 E N -0.851 119.399 120.200 0.082 0.000 2.158 462 E HA 0.069 4.419 4.350 -0.000 0.000 0.191 462 E C 1.588 178.247 176.600 0.098 0.000 0.982 462 E CA 1.176 57.621 56.400 0.074 0.000 0.823 462 E CB -0.491 29.237 29.700 0.047 0.000 0.766 462 E HN 0.510 nan 8.360 nan 0.000 0.468 463 L N 0.192 121.475 121.223 0.099 0.000 2.645 463 L HA 0.254 4.594 4.340 -0.000 0.000 0.234 463 L C 1.746 178.701 176.870 0.141 0.000 1.165 463 L CA 0.173 55.071 54.840 0.096 0.000 0.944 463 L CB -0.992 41.102 42.059 0.058 0.000 1.149 463 L HN 0.517 nan 8.230 nan 0.000 0.446 464 Y N -1.011 119.317 120.300 0.046 0.000 2.062 464 Y HA -0.417 4.133 4.550 -0.000 0.000 0.276 464 Y C 2.131 178.084 175.900 0.087 0.000 1.189 464 Y CA 2.463 60.604 58.100 0.068 0.000 1.130 464 Y CB -0.080 38.415 38.460 0.059 0.000 0.959 464 Y HN 0.098 nan 8.280 nan 0.000 0.499 465 V N 0.562 120.712 119.914 0.393 0.000 2.219 465 V HA -0.385 3.735 4.120 -0.000 0.000 0.248 465 V C 2.388 178.589 176.094 0.179 0.000 1.053 465 V CA 2.406 64.871 62.300 0.275 0.000 1.009 465 V CB -0.938 30.972 31.823 0.144 0.000 0.636 465 V HN 0.338 nan 8.190 nan 0.000 0.445 466 R N 0.982 121.553 120.500 0.119 0.000 2.133 466 R HA -0.215 4.125 4.340 -0.000 0.000 0.247 466 R C 2.182 178.525 176.300 0.073 0.000 1.151 466 R CA 2.615 58.764 56.100 0.082 0.000 0.971 466 R CB -0.907 29.428 30.300 0.058 0.000 0.866 466 R HN 0.663 nan 8.270 nan 0.000 0.447 467 E N -1.097 119.135 120.200 0.054 0.000 2.076 467 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 467 E C 1.961 178.567 176.600 0.010 0.000 0.979 467 E CA 1.321 57.726 56.400 0.008 0.000 0.807 467 E CB -0.964 28.708 29.700 -0.048 0.000 0.761 467 E HN 0.810 nan 8.360 nan 0.000 0.454 468 H N 0.169 119.193 119.070 -0.076 0.000 2.390 468 H HA -0.032 4.524 4.556 -0.000 0.000 0.298 468 H C 2.153 177.490 175.328 0.015 0.000 1.106 468 H CA 1.976 57.989 56.048 -0.059 0.000 1.297 468 H CB -0.097 29.681 29.762 0.027 0.000 1.375 468 H HN 0.351 nan 8.280 nan 0.000 0.509 469 L N -0.391 120.953 121.223 0.203 0.000 2.072 469 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 469 L C 2.749 179.675 176.870 0.092 0.000 1.079 469 L CA 1.253 56.181 54.840 0.147 0.000 0.752 469 L CB -0.492 41.638 42.059 0.118 0.000 0.906 469 L HN 0.244 nan 8.230 nan 0.000 0.436 470 R N 0.675 121.219 120.500 0.074 0.000 2.103 470 R HA -0.184 4.156 4.340 -0.000 0.000 0.242 470 R C 1.733 178.083 176.300 0.083 0.000 1.142 470 R CA 1.566 57.709 56.100 0.071 0.000 0.960 470 R CB -0.024 30.309 30.300 0.055 0.000 0.858 470 R HN 0.278 nan 8.270 nan 0.000 0.439 471 E N -0.273 119.953 120.200 0.042 0.000 2.511 471 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 471 E C 1.479 178.104 176.600 0.041 0.000 1.066 471 E CA 0.971 57.400 56.400 0.048 0.000 0.871 471 E CB 0.653 30.329 29.700 -0.040 0.000 0.863 471 E HN 0.655 nan 8.360 nan 0.000 0.520 472 Q N 0.073 119.903 119.800 0.050 0.000 2.317 472 Q HA 0.174 4.514 4.340 -0.000 0.000 0.220 472 Q C 1.893 177.941 176.000 0.081 0.000 0.873 472 Q CA 0.753 56.591 55.803 0.058 0.000 0.936 472 Q CB 0.146 28.928 28.738 0.074 0.000 1.105 472 Q HN 0.171 nan 8.270 nan 0.000 0.520 473 S N -0.197 115.561 115.700 0.096 0.000 2.428 473 S HA -0.117 4.353 4.470 -0.000 0.000 0.230 473 S C 1.980 176.651 174.600 0.118 0.000 1.014 473 S CA 1.071 59.329 58.200 0.097 0.000 0.957 473 S CB -0.069 63.188 63.200 0.096 0.000 0.784 473 S HN 0.639 nan 8.310 nan 0.000 0.499 474 R N 1.813 122.413 120.500 0.166 0.000 2.091 474 R HA 0.087 4.427 4.340 -0.000 0.000 0.238 474 R C 1.349 177.736 176.300 0.145 0.000 1.136 474 R CA 1.583 57.818 56.100 0.225 0.000 0.959 474 R CB -1.116 29.407 30.300 0.373 0.000 0.856 474 R HN 0.428 nan 8.270 nan 0.000 0.437 475 K N 2.684 123.143 120.400 0.097 0.000 2.419 475 K HA 0.117 4.437 4.320 -0.000 0.000 0.282 475 K C -2.174 174.455 176.600 0.049 0.000 1.056 475 K CA -0.795 55.527 56.287 0.058 0.000 1.035 475 K CB -0.495 32.030 32.500 0.043 0.000 0.921 475 K HN 0.194 nan 8.250 nan 0.000 0.472 476 P HA 0.275 nan 4.420 nan 0.000 0.249 476 P C -2.605 174.695 177.300 0.000 0.000 1.846 476 P CA -1.138 61.976 63.100 0.024 0.000 1.138 476 P CB -0.084 31.636 31.700 0.032 0.000 1.840 477 P HA 0.087 nan 4.420 nan 0.000 0.269 477 P C 0.131 177.419 177.300 -0.021 0.000 1.217 477 P CA 0.508 63.594 63.100 -0.022 0.000 0.783 477 P CB 0.122 31.813 31.700 -0.015 0.000 0.898 493 E N 4.181 124.393 120.200 0.019 0.000 2.504 493 E HA 0.672 5.022 4.350 -0.000 0.000 0.235 493 E C -0.852 175.743 176.600 -0.009 0.000 0.827 493 E CA -1.131 55.277 56.400 0.013 0.000 0.903 493 E CB 1.929 31.635 29.700 0.009 0.000 1.622 493 E HN 0.429 nan 8.360 nan 0.000 0.392 494 R N -0.003 120.464 120.500 -0.056 0.000 2.670 494 R HA 0.597 4.937 4.340 -0.000 0.000 0.289 494 R C -0.197 176.053 176.300 -0.083 0.000 0.965 494 R CA -0.829 55.211 56.100 -0.101 0.000 0.899 494 R CB 1.626 31.788 30.300 -0.231 0.000 1.173 494 R HN 0.443 nan 8.270 nan 0.000 0.456 495 I N 2.684 123.203 120.570 -0.085 0.000 2.472 495 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 495 I C 0.058 176.096 176.117 -0.131 0.000 1.016 495 I CA -0.590 60.650 61.300 -0.100 0.000 1.348 495 I CB 0.909 38.837 38.000 -0.119 0.000 1.417 495 I HN 0.177 nan 8.210 nan 0.000 0.521 496 K N 4.842 125.161 120.400 -0.135 0.000 2.334 496 K HA 0.368 4.688 4.320 -0.000 0.000 0.265 496 K C -0.638 175.840 176.600 -0.203 0.000 1.039 496 K CA -0.471 55.726 56.287 -0.149 0.000 0.920 496 K CB 1.191 33.621 32.500 -0.115 0.000 1.160 496 K HN 0.477 nan 8.250 nan 0.000 0.451 497 T N 1.533 115.929 114.554 -0.264 0.000 2.806 497 T HA 0.122 4.472 4.350 -0.000 0.000 0.290 497 T C 0.602 175.114 174.700 -0.314 0.000 0.966 497 T CA -0.208 61.633 62.100 -0.431 0.000 1.060 497 T CB 1.306 69.821 68.868 -0.589 0.000 0.927 497 T HN 0.442 nan 8.240 nan 0.000 0.485 498 T N 1.405 115.795 114.554 -0.273 0.000 2.748 498 T HA 0.090 4.440 4.350 -0.000 0.000 0.304 498 T C 1.422 176.088 174.700 -0.055 0.000 1.041 498 T CA -0.381 61.662 62.100 -0.096 0.000 1.033 498 T CB 0.312 69.194 68.868 0.024 0.000 0.995 498 T HN 0.529 nan 8.240 nan 0.000 0.536 499 S N 1.055 116.754 115.700 -0.003 0.000 2.470 499 S HA 0.162 4.632 4.470 -0.000 0.000 0.222 499 S C 0.813 175.457 174.600 0.074 0.000 1.024 499 S CA -0.123 58.085 58.200 0.012 0.000 0.931 499 S CB 0.198 63.400 63.200 0.003 0.000 0.791 499 S HN 0.657 nan 8.310 nan 0.000 0.513 500 S N 0.698 116.469 115.700 0.118 0.000 2.462 500 S HA 0.489 4.959 4.470 -0.000 0.000 0.294 500 S C 0.158 174.910 174.600 0.253 0.000 1.144 500 S CA -0.618 57.672 58.200 0.151 0.000 1.088 500 S CB 0.954 64.231 63.200 0.128 0.000 1.009 500 S HN 0.185 nan 8.310 nan 0.000 0.484 501 I N 4.169 124.828 120.570 0.148 0.000 3.956 501 I HA 0.306 4.476 4.170 -0.000 0.000 0.333 501 I C 1.517 177.559 176.117 -0.125 0.000 1.302 501 I CA 0.420 61.726 61.300 0.011 0.000 1.122 501 I CB -0.123 37.836 38.000 -0.068 0.000 1.013 501 I HN 0.640 nan 8.210 nan 0.000 0.405 502 E N 0.767 120.979 120.200 0.020 0.000 2.118 502 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 502 E C 2.075 178.642 176.600 -0.055 0.000 0.992 502 E CA 1.663 58.051 56.400 -0.020 0.000 0.804 502 E CB -0.774 28.947 29.700 0.034 0.000 0.741 502 E HN 0.703 nan 8.360 nan 0.000 0.458 503 F N 0.662 120.592 119.950 -0.034 0.000 2.202 503 F HA -0.079 4.448 4.527 -0.000 0.000 0.301 503 F C 2.160 177.923 175.800 -0.060 0.000 1.082 503 F CA 1.205 59.181 58.000 -0.041 0.000 1.313 503 F CB -0.522 38.464 39.000 -0.022 0.000 1.024 503 F HN -0.030 nan 8.300 nan 0.000 0.495 504 A N 1.358 123.445 122.820 -1.222 0.000 1.874 504 A HA 0.011 4.331 4.320 -0.000 0.000 0.214 504 A C 2.358 179.672 177.584 -0.450 0.000 1.189 504 A CA 0.917 52.364 52.037 -0.984 0.000 0.615 504 A CB -0.619 17.596 19.000 -1.309 0.000 0.830 504 A HN 0.431 nan 8.150 nan 0.000 0.443 505 R N -0.417 119.871 120.500 -0.353 0.000 2.120 505 R HA -0.005 4.335 4.340 -0.000 0.000 0.234 505 R C 1.954 178.239 176.300 -0.025 0.000 1.123 505 R CA 1.140 57.145 56.100 -0.158 0.000 0.975 505 R CB -0.546 29.667 30.300 -0.145 0.000 0.866 505 R HN 0.455 nan 8.270 nan 0.000 0.446 506 L N 0.645 121.832 121.223 -0.059 0.000 1.994 506 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 506 L C 2.749 179.638 176.870 0.031 0.000 1.071 506 L CA 1.371 56.208 54.840 -0.005 0.000 0.745 506 L CB -0.409 41.639 42.059 -0.018 0.000 0.892 506 L HN 0.107 nan 8.230 nan 0.000 0.431 507 Q N -0.050 119.739 119.800 -0.018 0.000 2.029 507 Q HA -0.306 4.034 4.340 -0.000 0.000 0.209 507 Q C 2.047 178.090 176.000 0.072 0.000 0.999 507 Q CA 2.424 58.234 55.803 0.011 0.000 0.857 507 Q CB -0.708 28.002 28.738 -0.047 0.000 0.926 507 Q HN 0.413 nan 8.270 nan 0.000 0.415 508 F N 0.226 120.120 119.950 -0.094 0.000 2.065 508 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 508 F C 2.044 177.842 175.800 -0.004 0.000 1.112 508 F CA 2.328 60.285 58.000 -0.070 0.000 1.212 508 F CB -0.813 38.105 39.000 -0.138 0.000 0.975 508 F HN 0.113 nan 8.300 nan 0.000 0.476 509 T N -0.329 114.317 114.554 0.153 0.000 2.720 509 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 509 T C 1.534 176.227 174.700 -0.012 0.000 1.037 509 T CA 1.818 63.956 62.100 0.063 0.000 1.144 509 T CB -0.864 68.082 68.868 0.131 0.000 0.864 509 T HN 0.539 nan 8.240 nan 0.000 0.444 510 Y N 2.693 122.945 120.300 -0.080 0.000 2.089 510 Y HA -0.231 4.319 4.550 -0.000 0.000 0.282 510 Y C 2.291 178.117 175.900 -0.123 0.000 1.139 510 Y CA 1.581 59.633 58.100 -0.081 0.000 1.123 510 Y CB -0.454 37.969 38.460 -0.062 0.000 0.980 510 Y HN 0.092 nan 8.280 nan 0.000 0.493 511 N N -0.154 118.532 118.700 -0.024 0.000 2.020 511 N HA -0.323 4.417 4.740 -0.000 0.000 0.200 511 N C 1.796 177.145 175.510 -0.269 0.000 1.054 511 N CA 2.034 54.990 53.050 -0.157 0.000 0.874 511 N CB -1.384 37.009 38.487 -0.156 0.000 1.075 511 N HN 0.562 nan 8.380 nan 0.000 0.446 512 H N 0.599 119.372 119.070 -0.496 0.000 2.272 512 H HA -0.135 4.421 4.556 -0.000 0.000 0.289 512 H C 2.057 177.219 175.328 -0.277 0.000 1.100 512 H CA 2.397 58.165 56.048 -0.466 0.000 1.209 512 H CB -0.553 28.794 29.762 -0.692 0.000 1.348 512 H HN 0.281 nan 8.280 nan 0.000 0.481 513 I N -0.001 120.400 120.570 -0.283 0.000 2.142 513 I HA -0.306 3.864 4.170 -0.000 0.000 0.240 513 I C 2.762 178.724 176.117 -0.259 0.000 1.078 513 I CA 1.675 62.819 61.300 -0.260 0.000 1.343 513 I CB -0.677 37.215 38.000 -0.179 0.000 1.046 513 I HN 0.470 nan 8.210 nan 0.000 0.405 514 Q N 1.511 121.083 119.800 -0.381 0.000 2.103 514 Q HA -0.331 4.009 4.340 -0.000 0.000 0.213 514 Q C 2.436 178.309 176.000 -0.212 0.000 1.008 514 Q CA 2.270 57.849 55.803 -0.372 0.000 0.879 514 Q CB -0.244 28.201 28.738 -0.488 0.000 0.946 514 Q HN 0.360 nan 8.270 nan 0.000 0.413 515 R N -1.094 119.297 120.500 -0.183 0.000 2.091 515 R HA -0.230 4.110 4.340 -0.000 0.000 0.238 515 R C 2.359 178.605 176.300 -0.091 0.000 1.136 515 R CA 1.908 57.943 56.100 -0.109 0.000 0.959 515 R CB -0.388 29.866 30.300 -0.076 0.000 0.856 515 R HN 0.497 nan 8.270 nan 0.000 0.437 516 H N 0.239 119.181 119.070 -0.214 0.000 2.253 516 H HA -0.149 4.407 4.556 -0.000 0.000 0.296 516 H C 1.982 177.231 175.328 -0.131 0.000 1.074 516 H CA 2.461 58.401 56.048 -0.180 0.000 1.263 516 H CB -0.711 28.911 29.762 -0.234 0.000 1.363 516 H HN 0.068 nan 8.280 nan 0.000 0.489 517 V N 1.034 120.837 119.914 -0.185 0.000 2.220 517 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 517 V C 1.956 177.934 176.094 -0.193 0.000 1.056 517 V CA 2.689 64.862 62.300 -0.210 0.000 1.016 517 V CB -0.715 31.038 31.823 -0.115 0.000 0.639 517 V HN 0.610 nan 8.190 nan 0.000 0.446 518 N N 0.219 118.834 118.700 -0.143 0.000 2.205 518 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 518 N C 1.693 177.139 175.510 -0.106 0.000 1.015 518 N CA 1.816 54.802 53.050 -0.107 0.000 0.862 518 N CB -0.710 37.728 38.487 -0.081 0.000 0.986 518 N HN 0.763 nan 8.380 nan 0.000 0.429 519 D N 0.358 120.680 120.400 -0.131 0.000 2.084 519 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 519 D C 1.768 177.984 176.300 -0.140 0.000 0.985 519 D CA 0.972 54.902 54.000 -0.116 0.000 0.826 519 D CB 0.162 40.897 40.800 -0.110 0.000 0.978 519 D HN 0.004 nan 8.370 nan 0.000 0.456 520 M N 0.268 119.728 119.600 -0.235 0.000 2.081 520 M HA -0.004 4.476 4.480 -0.000 0.000 0.261 520 M C 2.598 178.819 176.300 -0.133 0.000 1.075 520 M CA 0.781 55.955 55.300 -0.210 0.000 1.133 520 M CB -1.388 31.011 32.600 -0.336 0.000 1.330 520 M HN 0.072 nan 8.290 nan 0.000 0.414 521 L N -0.356 120.784 121.223 -0.138 0.000 2.265 521 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 521 L C 2.453 179.280 176.870 -0.072 0.000 1.117 521 L CA 0.931 55.713 54.840 -0.097 0.000 0.782 521 L CB -1.303 40.697 42.059 -0.099 0.000 0.914 521 L HN 0.416 nan 8.230 nan 0.000 0.441 522 G N 0.147 108.903 108.800 -0.073 0.000 2.464 522 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.214 522 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.214 522 G C 1.679 176.562 174.900 -0.029 0.000 1.218 522 G CA 0.372 45.444 45.100 -0.047 0.000 0.794 522 G HN 0.246 nan 8.290 nan 0.000 0.542 523 R N -0.119 120.360 120.500 -0.034 0.000 2.094 523 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 523 R C 2.656 178.960 176.300 0.007 0.000 1.137 523 R CA 1.442 57.533 56.100 -0.015 0.000 0.943 523 R CB -1.004 29.281 30.300 -0.024 0.000 0.850 523 R HN 0.264 nan 8.270 nan 0.000 0.433 524 V N 1.335 121.249 119.914 -0.001 0.000 2.220 524 V HA -0.358 3.762 4.120 -0.000 0.000 0.250 524 V C 2.560 178.696 176.094 0.071 0.000 1.056 524 V CA 2.185 64.504 62.300 0.032 0.000 1.016 524 V CB -1.015 30.806 31.823 -0.003 0.000 0.639 524 V HN 0.532 nan 8.190 nan 0.000 0.446 525 A N -0.360 122.475 122.820 0.024 0.000 1.915 525 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 525 A C 2.158 179.808 177.584 0.111 0.000 1.198 525 A CA 2.640 54.698 52.037 0.036 0.000 0.647 525 A CB -0.722 18.271 19.000 -0.011 0.000 0.825 525 A HN 0.567 nan 8.150 nan 0.000 0.456 526 I N -0.540 120.073 120.570 0.072 0.000 2.179 526 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 526 I C 2.858 179.029 176.117 0.090 0.000 1.088 526 I CA 1.095 62.437 61.300 0.069 0.000 1.357 526 I CB -0.394 37.625 38.000 0.032 0.000 1.051 526 I HN 0.360 nan 8.210 nan 0.000 0.409 527 A N 0.153 123.027 122.820 0.090 0.000 2.178 527 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 527 A C 2.127 179.784 177.584 0.122 0.000 1.157 527 A CA 0.920 53.004 52.037 0.078 0.000 0.689 527 A CB -0.863 18.178 19.000 0.068 0.000 0.787 527 A HN 0.735 nan 8.150 nan 0.000 0.465 528 W N 0.193 121.487 121.300 -0.009 0.000 2.501 528 W HA -0.201 4.459 4.660 0.000 0.000 0.309 528 W C 2.523 179.044 176.519 0.004 0.000 1.165 528 W CA 1.597 58.941 57.345 -0.001 0.000 1.381 528 W CB -0.630 28.826 29.460 -0.007 0.000 1.142 528 W HN 0.543 nan 8.180 nan 0.000 0.509 529 c N 1.291 120.009 118.600 0.197 0.000 2.413 529 c HA -0.173 4.397 4.570 -0.000 0.000 0.277 529 c C 2.151 176.230 174.090 -0.018 0.000 1.265 529 c CA 1.650 58.029 56.329 0.083 0.000 1.752 529 c CB -1.361 41.210 42.510 0.102 0.000 1.998 529 c HN 0.423 nan 8.230 nan 0.000 0.489 530 E N 0.452 120.641 120.200 -0.018 0.000 2.153 530 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 530 E C 2.061 178.622 176.600 -0.065 0.000 0.988 530 E CA 1.263 57.635 56.400 -0.047 0.000 0.811 530 E CB -0.276 29.387 29.700 -0.062 0.000 0.746 530 E HN 0.647 nan 8.360 nan 0.000 0.466 531 L N 1.265 122.406 121.223 -0.136 0.000 2.023 531 L HA -0.184 4.156 4.340 -0.000 0.000 0.205 531 L C 2.143 178.915 176.870 -0.162 0.000 1.073 531 L CA 1.728 56.469 54.840 -0.166 0.000 0.745 531 L CB -0.515 41.321 42.059 -0.372 0.000 0.900 531 L HN -0.011 nan 8.230 nan 0.000 0.435 532 Q N 0.023 119.651 119.800 -0.287 0.000 2.077 532 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 532 Q C 2.021 177.983 176.000 -0.064 0.000 0.989 532 Q CA 1.845 57.535 55.803 -0.188 0.000 0.853 532 Q CB -1.018 27.617 28.738 -0.172 0.000 0.907 532 Q HN 0.581 nan 8.270 nan 0.000 0.418 533 N N 0.213 118.895 118.700 -0.030 0.000 2.120 533 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 533 N C 1.740 177.299 175.510 0.082 0.000 1.024 533 N CA 1.264 54.326 53.050 0.020 0.000 0.852 533 N CB -0.612 37.888 38.487 0.022 0.000 1.003 533 N HN 0.371 nan 8.380 nan 0.000 0.424 534 H N 1.420 120.464 119.070 -0.044 0.000 2.387 534 H HA 0.024 4.580 4.556 -0.000 0.000 0.299 534 H C 1.500 176.825 175.328 -0.006 0.000 1.090 534 H CA 1.254 57.285 56.048 -0.029 0.000 1.332 534 H CB 0.164 29.896 29.762 -0.050 0.000 1.386 534 H HN 0.160 nan 8.280 nan 0.000 0.516 535 E N 0.042 120.259 120.200 0.029 0.000 2.106 535 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 535 E C 2.367 179.058 176.600 0.152 0.000 0.984 535 E CA 0.458 56.886 56.400 0.047 0.000 0.806 535 E CB -0.544 29.241 29.700 0.141 0.000 0.750 535 E HN 0.339 nan 8.360 nan 0.000 0.458 536 L N 1.657 122.949 121.223 0.116 0.000 2.137 536 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 536 L C 2.061 179.017 176.870 0.143 0.000 1.085 536 L CA 1.831 56.741 54.840 0.117 0.000 0.760 536 L CB -1.058 41.026 42.059 0.043 0.000 0.893 536 L HN 0.058 nan 8.230 nan 0.000 0.434 537 T N -0.109 114.482 114.554 0.062 0.000 2.580 537 T HA -0.252 4.098 4.350 -0.000 0.000 0.265 537 T C 1.916 176.635 174.700 0.030 0.000 1.063 537 T CA 2.135 64.251 62.100 0.027 0.000 1.170 537 T CB -0.431 68.402 68.868 -0.060 0.000 0.863 537 T HN 0.356 nan 8.240 nan 0.000 0.418 538 L N -1.082 120.118 121.223 -0.038 0.000 1.990 538 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 538 L C 2.584 179.423 176.870 -0.051 0.000 1.072 538 L CA 1.799 56.575 54.840 -0.107 0.000 0.755 538 L CB -0.822 41.094 42.059 -0.238 0.000 0.889 538 L HN 0.388 nan 8.230 nan 0.000 0.432 539 W N 0.630 121.927 121.300 -0.005 0.000 2.321 539 W HA -0.232 4.428 4.660 -0.000 0.000 0.306 539 W C 2.635 179.277 176.519 0.205 0.000 1.217 539 W CA 1.266 58.647 57.345 0.059 0.000 1.257 539 W CB -0.662 28.759 29.460 -0.065 0.000 1.145 539 W HN 0.205 nan 8.180 nan 0.000 0.509 540 N N 0.268 119.223 118.700 0.426 0.000 2.021 540 N HA -0.203 4.537 4.740 -0.000 0.000 0.198 540 N C 1.499 177.111 175.510 0.170 0.000 1.041 540 N CA 1.910 55.152 53.050 0.319 0.000 0.862 540 N CB -0.793 37.823 38.487 0.215 0.000 1.048 540 N HN 0.125 nan 8.380 nan 0.000 0.427 541 E N 0.407 120.667 120.200 0.099 0.000 2.150 541 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 541 E C 1.864 178.483 176.600 0.033 0.000 0.985 541 E CA 0.715 57.140 56.400 0.041 0.000 0.814 541 E CB -0.351 29.352 29.700 0.004 0.000 0.752 541 E HN 0.375 nan 8.360 nan 0.000 0.466 542 A N 2.214 125.055 122.820 0.036 0.000 1.902 542 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 542 A C 2.226 179.857 177.584 0.079 0.000 1.181 542 A CA 1.827 53.871 52.037 0.011 0.000 0.623 542 A CB -0.546 18.403 19.000 -0.086 0.000 0.818 542 A HN 0.312 nan 8.150 nan 0.000 0.443 543 R N 0.048 120.642 120.500 0.157 0.000 2.091 543 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 543 R C 1.868 178.198 176.300 0.050 0.000 1.136 543 R CA 1.767 57.947 56.100 0.134 0.000 0.959 543 R CB -0.527 29.835 30.300 0.104 0.000 0.856 543 R HN 0.416 nan 8.270 nan 0.000 0.437 544 K N 0.832 121.250 120.400 0.030 0.000 2.103 544 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 544 K C 2.246 178.855 176.600 0.015 0.000 1.048 544 K CA 1.655 57.948 56.287 0.011 0.000 0.930 544 K CB -0.222 32.282 32.500 0.007 0.000 0.716 544 K HN 0.216 nan 8.250 nan 0.000 0.444 545 L N 0.472 121.706 121.223 0.018 0.000 2.005 545 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 545 L C 1.169 178.051 176.870 0.021 0.000 1.072 545 L CA 0.812 55.661 54.840 0.014 0.000 0.744 545 L CB -0.189 41.872 42.059 0.004 0.000 0.895 545 L HN 0.202 nan 8.230 nan 0.000 0.433 546 N N -1.021 117.698 118.700 0.031 0.000 2.790 546 N HA 0.171 4.911 4.740 -0.000 0.000 0.256 546 N C -2.156 173.387 175.510 0.055 0.000 1.409 546 N CA -1.737 51.336 53.050 0.039 0.000 0.799 546 N CB 1.102 39.611 38.487 0.037 0.000 1.170 546 N HN -0.192 nan 8.380 nan 0.000 0.507 547 P HA -0.078 nan 4.420 nan 0.000 0.213 547 P C 0.957 178.288 177.300 0.052 0.000 1.170 547 P CA 1.284 64.409 63.100 0.042 0.000 0.902 547 P CB 0.426 32.136 31.700 0.017 0.000 0.789 548 N N -0.711 118.012 118.700 0.039 0.000 2.094 548 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 548 N C 1.679 177.213 175.510 0.040 0.000 1.023 548 N CA 1.883 54.952 53.050 0.032 0.000 0.857 548 N CB -1.087 37.415 38.487 0.024 0.000 1.013 548 N HN 0.095 nan 8.380 nan 0.000 0.426 549 A N -0.156 122.697 122.820 0.056 0.000 1.898 549 A HA 0.043 4.363 4.320 -0.000 0.000 0.214 549 A C 2.046 179.708 177.584 0.129 0.000 1.183 549 A CA 0.789 52.868 52.037 0.070 0.000 0.622 549 A CB -0.355 18.683 19.000 0.063 0.000 0.824 549 A HN 0.129 nan 8.150 nan 0.000 0.444 550 I N 0.033 120.707 120.570 0.174 0.000 2.439 550 I HA -0.100 4.070 4.170 -0.000 0.000 0.251 550 I C 2.713 178.993 176.117 0.271 0.000 1.139 550 I CA 1.063 62.552 61.300 0.315 0.000 1.438 550 I CB -0.387 37.832 38.000 0.365 0.000 1.085 550 I HN 0.298 nan 8.210 nan 0.000 0.427 551 A N -0.719 122.201 122.820 0.167 0.000 1.897 551 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 551 A C 2.477 180.106 177.584 0.075 0.000 1.181 551 A CA 1.735 53.844 52.037 0.120 0.000 0.620 551 A CB -0.805 18.233 19.000 0.063 0.000 0.821 551 A HN 0.350 nan 8.150 nan 0.000 0.443 552 S N -0.217 115.513 115.700 0.050 0.000 2.353 552 S HA -0.168 4.302 4.470 -0.000 0.000 0.222 552 S C 1.939 176.546 174.600 0.013 0.000 1.035 552 S CA 1.577 59.780 58.200 0.005 0.000 1.025 552 S CB -0.606 62.577 63.200 -0.029 0.000 0.902 552 S HN 0.336 nan 8.310 nan 0.000 0.440 553 V N 1.256 121.200 119.914 0.051 0.000 2.220 553 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 553 V C 2.633 178.706 176.094 -0.035 0.000 1.049 553 V CA 2.314 64.635 62.300 0.034 0.000 1.003 553 V CB -1.304 30.590 31.823 0.119 0.000 0.634 553 V HN 0.495 nan 8.190 nan 0.000 0.444 554 T N -0.251 114.271 114.554 -0.054 0.000 2.653 554 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 554 T C 1.738 176.405 174.700 -0.054 0.000 1.035 554 T CA 2.022 64.052 62.100 -0.116 0.000 1.154 554 T CB -0.196 68.665 68.868 -0.010 0.000 0.862 554 T HN 0.276 nan 8.240 nan 0.000 0.441 555 V N -0.331 119.580 119.914 -0.005 0.000 2.788 555 V HA 0.264 4.384 4.120 -0.000 0.000 0.251 555 V C 1.855 177.940 176.094 -0.015 0.000 1.068 555 V CA 0.980 63.278 62.300 -0.002 0.000 1.090 555 V CB -0.521 31.309 31.823 0.013 0.000 0.710 555 V HN 0.705 nan 8.190 nan 0.000 0.467 556 G N 1.610 110.398 108.800 -0.020 0.000 2.167 556 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.194 556 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.194 556 G C 0.097 174.985 174.900 -0.020 0.000 1.027 556 G CA 0.070 45.157 45.100 -0.021 0.000 0.717 556 G HN 0.867 nan 8.290 nan 0.000 0.501 557 R N -2.142 118.339 120.500 -0.032 0.000 2.833 557 R HA 0.499 4.839 4.340 -0.000 0.000 0.259 557 R C -0.625 175.614 176.300 -0.101 0.000 1.047 557 R CA -1.309 54.758 56.100 -0.053 0.000 0.916 557 R CB 0.527 30.817 30.300 -0.017 0.000 1.259 557 R HN 0.014 nan 8.270 nan 0.000 0.482 558 R N 1.556 121.921 120.500 -0.225 0.000 2.473 558 R HA 0.187 4.527 4.340 -0.000 0.000 0.315 558 R C 0.181 176.386 176.300 -0.160 0.000 0.972 558 R CA 0.170 56.070 56.100 -0.333 0.000 1.047 558 R CB 0.347 30.092 30.300 -0.925 0.000 0.932 558 R HN 0.541 nan 8.270 nan 0.000 0.411 559 V N -1.005 118.858 119.914 -0.085 0.000 3.159 559 V HA 0.670 4.790 4.120 -0.000 0.000 0.308 559 V C -0.206 175.885 176.094 -0.005 0.000 1.190 559 V CA -1.127 61.161 62.300 -0.020 0.000 1.037 559 V CB 2.442 34.264 31.823 -0.002 0.000 1.060 559 V HN 0.691 nan 8.190 nan 0.000 0.437 560 S N 1.345 117.055 115.700 0.017 0.000 2.489 560 S HA 0.966 5.436 4.470 -0.000 0.000 0.291 560 S C -0.128 174.483 174.600 0.018 0.000 1.151 560 S CA 0.031 58.245 58.200 0.022 0.000 1.082 560 S CB 1.247 64.468 63.200 0.035 0.000 1.019 560 S HN 2.244 nan 8.310 nan 0.000 0.492 561 A N 2.164 124.992 122.820 0.015 0.000 2.569 561 A HA 0.982 5.302 4.320 -0.000 0.000 0.290 561 A C -0.543 177.042 177.584 0.002 0.000 1.136 561 A CA -1.234 50.807 52.037 0.005 0.000 0.710 561 A CB 1.677 20.677 19.000 0.001 0.000 1.303 561 A HN 1.240 nan 8.150 nan 0.000 0.413 562 R N 0.182 120.676 120.500 -0.010 0.000 2.687 562 R HA 0.452 4.792 4.340 -0.000 0.000 0.265 562 R C -1.696 174.588 176.300 -0.027 0.000 1.048 562 R CA -0.837 55.256 56.100 -0.012 0.000 0.884 562 R CB 0.749 31.048 30.300 -0.002 0.000 1.258 562 R HN 0.508 nan 8.270 nan 0.000 0.469 563 M N 4.229 123.811 119.600 -0.030 0.000 2.455 563 M HA 0.182 4.662 4.480 -0.000 0.000 0.331 563 M C -0.209 176.073 176.300 -0.030 0.000 1.481 563 M CA 0.043 55.318 55.300 -0.042 0.000 1.362 563 M CB 0.033 32.609 32.600 -0.040 0.000 1.564 563 M HN 0.541 nan 8.290 nan 0.000 0.458 564 L N 3.678 124.881 121.223 -0.032 0.000 2.583 564 L HA 0.268 4.608 4.340 -0.000 0.000 0.239 564 L C 1.272 178.127 176.870 -0.024 0.000 1.347 564 L CA -0.195 54.632 54.840 -0.023 0.000 1.246 564 L CB -0.986 41.061 42.059 -0.019 0.000 1.496 564 L HN 1.027 nan 8.230 nan 0.000 0.413 565 G N 0.991 109.777 108.800 -0.024 0.000 2.742 565 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.255 565 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.255 565 G C 0.237 175.118 174.900 -0.031 0.000 1.322 565 G CA 0.088 45.175 45.100 -0.022 0.000 0.967 565 G HN 0.430 nan 8.290 nan 0.000 0.556 566 D N 1.031 121.412 120.400 -0.032 0.000 2.402 566 D HA 0.462 5.102 4.640 -0.000 0.000 0.216 566 D C 0.749 177.010 176.300 -0.065 0.000 1.128 566 D CA 0.604 54.580 54.000 -0.041 0.000 0.833 566 D CB 1.131 41.918 40.800 -0.022 0.000 0.971 566 D HN 0.441 nan 8.370 nan 0.000 0.503 567 V N 0.066 119.938 119.914 -0.070 0.000 3.164 567 V HA 0.508 4.628 4.120 -0.000 0.000 0.313 567 V C -0.369 175.662 176.094 -0.104 0.000 1.188 567 V CA -0.914 61.334 62.300 -0.087 0.000 1.058 567 V CB 2.737 34.529 31.823 -0.051 0.000 1.110 567 V HN -0.122 nan 8.190 nan 0.000 0.453 568 M N 1.497 121.033 119.600 -0.107 0.000 2.197 568 M HA 0.678 5.158 4.480 -0.000 0.000 0.301 568 M C -0.516 175.753 176.300 -0.052 0.000 0.987 568 M CA -0.466 54.776 55.300 -0.097 0.000 0.921 568 M CB 1.843 34.355 32.600 -0.147 0.000 1.569 568 M HN 0.826 nan 8.290 nan 0.000 0.431 569 A N 3.448 126.248 122.820 -0.034 0.000 2.331 569 A HA 0.767 5.087 4.320 -0.000 0.000 0.283 569 A C -0.487 177.091 177.584 -0.009 0.000 1.142 569 A CA -0.554 51.473 52.037 -0.016 0.000 0.812 569 A CB 0.469 19.463 19.000 -0.010 0.000 1.074 569 A HN 0.762 nan 8.150 nan 0.000 0.497 570 V N 0.119 120.033 119.914 -0.001 0.000 2.876 570 V HA 0.951 5.071 4.120 -0.000 0.000 0.312 570 V C -0.390 175.712 176.094 0.015 0.000 1.085 570 V CA -0.183 62.121 62.300 0.007 0.000 0.945 570 V CB 1.646 33.474 31.823 0.008 0.000 1.017 570 V HN 1.458 nan 8.190 nan 0.000 0.428 571 S N 0.590 116.302 115.700 0.021 0.000 2.649 571 S HA 0.506 4.976 4.470 -0.000 0.000 0.274 571 S C -0.365 174.259 174.600 0.040 0.000 1.176 571 S CA -0.534 57.684 58.200 0.030 0.000 0.988 571 S CB 1.025 64.244 63.200 0.032 0.000 1.071 571 S HN 1.052 nan 8.310 nan 0.000 0.478 572 T N 2.939 117.521 114.554 0.045 0.000 2.934 572 T HA 0.140 4.490 4.350 -0.000 0.000 0.306 572 T C 0.617 175.373 174.700 0.093 0.000 1.042 572 T CA 0.071 62.208 62.100 0.060 0.000 1.145 572 T CB -0.290 68.617 68.868 0.066 0.000 0.982 572 T HN 0.826 nan 8.240 nan 0.000 0.544 573 c N 3.317 121.987 118.600 0.117 0.000 2.595 573 c HA 0.423 4.993 4.570 -0.000 0.000 0.384 573 c C 0.768 175.036 174.090 0.296 0.000 1.289 573 c CA -0.794 55.656 56.329 0.203 0.000 2.372 573 c CB 0.185 42.826 42.510 0.219 0.000 2.593 573 c HN 0.641 nan 8.230 nan 0.000 0.639 574 V N 4.286 124.355 119.914 0.259 0.000 2.435 574 V HA 0.311 4.431 4.120 -0.000 0.000 0.290 574 V C -2.133 173.952 176.094 -0.014 0.000 1.030 574 V CA -1.336 61.068 62.300 0.172 0.000 0.881 574 V CB 1.451 33.396 31.823 0.203 0.000 0.983 574 V HN 0.751 nan 8.190 nan 0.000 0.445 575 P HA 0.295 nan 4.420 nan 0.000 0.271 575 P C -1.031 176.121 177.300 -0.246 0.000 1.216 575 P CA -0.026 62.771 63.100 -0.506 0.000 0.776 575 P CB 0.775 32.302 31.700 -0.287 0.000 0.881 576 V N 1.946 121.704 119.914 -0.260 0.000 2.711 576 V HA 0.522 4.642 4.120 -0.000 0.000 0.304 576 V C 0.115 176.205 176.094 -0.006 0.000 1.097 576 V CA -1.055 61.181 62.300 -0.107 0.000 0.906 576 V CB 1.736 33.456 31.823 -0.171 0.000 1.015 576 V HN 0.690 nan 8.190 nan 0.000 0.427 577 A N 3.227 126.052 122.820 0.009 0.000 2.466 577 A HA 0.605 4.925 4.320 -0.000 0.000 0.238 577 A C 1.540 179.196 177.584 0.119 0.000 1.074 577 A CA 0.600 52.665 52.037 0.048 0.000 0.774 577 A CB 0.463 19.477 19.000 0.024 0.000 1.015 577 A HN 1.604 nan 8.150 nan 0.000 0.498 578 A N 0.635 123.552 122.820 0.162 0.000 2.015 578 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 578 A C 1.447 179.069 177.584 0.065 0.000 1.163 578 A CA 1.746 53.923 52.037 0.232 0.000 0.646 578 A CB -0.481 18.625 19.000 0.176 0.000 0.806 578 A HN 0.806 nan 8.150 nan 0.000 0.448 579 D N 1.044 121.466 120.400 0.037 0.000 2.117 579 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 579 D C 0.765 177.067 176.300 0.003 0.000 0.987 579 D CA 1.122 55.133 54.000 0.018 0.000 0.829 579 D CB -0.597 40.213 40.800 0.018 0.000 0.961 579 D HN 0.387 nan 8.370 nan 0.000 0.460 580 N N 0.582 119.280 118.700 -0.004 0.000 2.567 580 N HA -0.008 4.732 4.740 -0.000 0.000 0.195 580 N C -0.239 175.252 175.510 -0.032 0.000 1.242 580 N CA 0.159 53.204 53.050 -0.008 0.000 0.884 580 N CB 0.591 39.082 38.487 0.007 0.000 1.007 580 N HN 0.083 nan 8.380 nan 0.000 0.450 581 V N 1.370 121.230 119.914 -0.091 0.000 2.540 581 V HA 0.510 4.630 4.120 -0.000 0.000 0.302 581 V C 0.034 176.102 176.094 -0.044 0.000 1.035 581 V CA -0.750 61.450 62.300 -0.167 0.000 0.873 581 V CB 2.320 33.766 31.823 -0.628 0.000 0.992 581 V HN -0.067 nan 8.190 nan 0.000 0.428 582 I N 3.755 124.315 120.570 -0.016 0.000 2.769 582 I HA 0.615 4.785 4.170 -0.000 0.000 0.298 582 I C -0.962 175.132 176.117 -0.037 0.000 1.128 582 I CA -1.008 60.297 61.300 0.009 0.000 1.031 582 I CB 2.592 40.583 38.000 -0.016 0.000 1.235 582 I HN 0.270 nan 8.210 nan 0.000 0.423 583 V N 3.522 123.384 119.914 -0.087 0.000 2.715 583 V HA 0.359 4.479 4.120 -0.000 0.000 0.310 583 V C -0.543 175.466 176.094 -0.142 0.000 1.054 583 V CA -0.774 61.425 62.300 -0.169 0.000 0.928 583 V CB 1.871 33.480 31.823 -0.356 0.000 1.007 583 V HN 0.611 nan 8.190 nan 0.000 0.437 584 Q N 2.780 122.531 119.800 -0.081 0.000 2.296 584 Q HA 0.270 4.610 4.340 -0.000 0.000 0.257 584 Q C 1.245 177.286 176.000 0.067 0.000 0.942 584 Q CA -0.039 55.744 55.803 -0.034 0.000 0.939 584 Q CB 0.505 29.229 28.738 -0.023 0.000 1.198 584 Q HN 0.795 nan 8.270 nan 0.000 0.429 585 N N 0.148 118.836 118.700 -0.019 0.000 2.609 585 N HA -0.097 4.643 4.740 -0.000 0.000 0.190 585 N C 0.187 175.795 175.510 0.165 0.000 1.157 585 N CA 0.055 53.098 53.050 -0.013 0.000 0.918 585 N CB 0.349 38.806 38.487 -0.049 0.000 0.978 585 N HN 0.257 nan 8.380 nan 0.000 0.448 586 S N -0.243 115.581 115.700 0.206 0.000 2.638 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.298 586 S C 0.321 175.093 174.600 0.286 0.000 1.111 586 S CA -0.691 57.647 58.200 0.230 0.000 1.027 586 S CB 1.536 64.814 63.200 0.130 0.000 1.064 586 S HN 0.196 nan 8.310 nan 0.000 0.525 587 M N 1.928 121.704 119.600 0.294 0.000 2.204 587 M HA 0.178 4.658 4.480 -0.000 0.000 0.407 587 M C -0.063 176.421 176.300 0.305 0.000 0.920 587 M CA -0.180 55.311 55.300 0.318 0.000 1.037 587 M CB 0.644 33.413 32.600 0.281 0.000 2.010 587 M HN 0.639 nan 8.290 nan 0.000 0.674 588 R N 0.933 121.507 120.500 0.124 0.000 2.668 588 R HA 0.716 5.056 4.340 -0.000 0.000 0.279 588 R C -0.870 175.371 176.300 -0.099 0.000 0.976 588 R CA -0.603 55.423 56.100 -0.123 0.000 0.978 588 R CB 1.487 31.649 30.300 -0.230 0.000 1.133 588 R HN 0.106 nan 8.270 nan 0.000 0.484 589 I N 2.798 123.223 120.570 -0.241 0.000 2.304 589 I HA 0.036 4.206 4.170 -0.000 0.000 0.291 589 I C 1.479 177.522 176.117 -0.123 0.000 1.018 589 I CA -0.463 60.727 61.300 -0.182 0.000 1.260 589 I CB 1.916 39.734 38.000 -0.303 0.000 1.390 589 I HN 0.926 nan 8.210 nan 0.000 0.475 590 S N 3.141 118.803 115.700 -0.062 0.000 2.383 590 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 590 S C 1.878 176.446 174.600 -0.053 0.000 1.026 590 S CA 1.113 59.283 58.200 -0.050 0.000 0.981 590 S CB -0.397 62.789 63.200 -0.024 0.000 0.818 590 S HN 0.765 nan 8.310 nan 0.000 0.472 591 S N 1.488 117.158 115.700 -0.049 0.000 2.507 591 S HA 0.105 4.575 4.470 -0.000 0.000 0.235 591 S C 0.875 175.437 174.600 -0.063 0.000 0.988 591 S CA -0.154 58.019 58.200 -0.045 0.000 0.944 591 S CB -0.366 62.815 63.200 -0.032 0.000 0.762 591 S HN 0.606 nan 8.310 nan 0.000 0.526 592 R N 1.251 121.696 120.500 -0.092 0.000 2.655 592 R HA 0.318 4.658 4.340 -0.000 0.000 0.261 592 R C -3.281 172.942 176.300 -0.129 0.000 1.624 592 R CA -1.632 54.403 56.100 -0.108 0.000 1.655 592 R CB 0.885 31.106 30.300 -0.133 0.000 1.356 592 R HN 0.220 nan 8.270 nan 0.000 0.684 593 P HA 0.020 nan 4.420 nan 0.000 0.261 593 P C 0.750 177.982 177.300 -0.113 0.000 1.203 593 P CA 1.063 64.098 63.100 -0.108 0.000 0.767 593 P CB 0.744 32.399 31.700 -0.074 0.000 0.785 594 G N 2.287 110.997 108.800 -0.150 0.000 2.148 594 G HA2 0.074 4.034 3.960 -0.000 0.000 0.203 594 G HA3 0.074 4.034 3.960 -0.000 0.000 0.203 594 G C -0.004 174.798 174.900 -0.162 0.000 0.993 594 G CA -0.141 44.877 45.100 -0.138 0.000 0.661 594 G HN 0.848 nan 8.290 nan 0.000 0.518 595 A N -1.025 121.664 122.820 -0.220 0.000 2.456 595 A HA 0.777 5.097 4.320 -0.000 0.000 0.288 595 A C 0.008 177.375 177.584 -0.362 0.000 1.042 595 A CA 0.249 52.142 52.037 -0.240 0.000 0.738 595 A CB 1.012 19.902 19.000 -0.183 0.000 1.266 595 A HN 1.218 nan 8.150 nan 0.000 0.407 596 c N 0.033 118.388 118.600 -0.408 0.000 3.277 596 c HA 0.806 5.376 4.570 -0.000 0.000 0.367 596 c C -0.566 173.281 174.090 -0.404 0.000 1.949 596 c CA -0.913 55.111 56.329 -0.508 0.000 1.428 596 c CB 0.518 42.588 42.510 -0.733 0.000 2.409 596 c HN 0.781 nan 8.230 nan 0.000 0.460 597 Y N 0.369 120.663 120.300 -0.010 0.000 2.419 597 Y HA 0.315 4.865 4.550 -0.000 0.000 0.328 597 Y C 1.522 177.477 175.900 0.091 0.000 1.162 597 Y CA -0.142 57.970 58.100 0.019 0.000 1.174 597 Y CB 1.140 39.580 38.460 -0.033 0.000 1.228 597 Y HN 0.620 nan 8.280 nan 0.000 0.473 598 S N 1.109 116.950 115.700 0.234 0.000 2.377 598 S HA 0.072 4.542 4.470 -0.000 0.000 0.223 598 S C 0.254 174.936 174.600 0.137 0.000 1.030 598 S CA 0.691 59.015 58.200 0.206 0.000 0.970 598 S CB -0.019 63.278 63.200 0.161 0.000 0.830 598 S HN 0.528 nan 8.310 nan 0.000 0.473 599 R N 0.839 121.299 120.500 -0.066 0.000 2.750 599 R HA 0.479 4.819 4.340 -0.000 0.000 0.281 599 R C -3.313 172.619 176.300 -0.612 0.000 0.972 599 R CA -2.542 53.252 56.100 -0.511 0.000 0.912 599 R CB 0.372 30.473 30.300 -0.333 0.000 1.187 599 R HN -0.031 nan 8.270 nan 0.000 0.464 600 P HA -0.046 nan 4.420 nan 0.000 0.266 600 P C -0.495 176.521 177.300 -0.473 0.000 1.193 600 P CA 0.307 62.901 63.100 -0.844 0.000 0.770 600 P CB 0.468 31.519 31.700 -1.082 0.000 0.836 601 L N 2.233 123.250 121.223 -0.343 0.000 2.379 601 L HA 0.641 4.981 4.340 -0.000 0.000 0.269 601 L C 0.643 177.402 176.870 -0.185 0.000 1.084 601 L CA -0.609 54.063 54.840 -0.281 0.000 0.802 601 L CB 0.979 42.860 42.059 -0.298 0.000 1.175 601 L HN 0.218 nan 8.230 nan 0.000 0.448 602 V N -1.590 118.246 119.914 -0.130 0.000 3.206 602 V HA 0.772 4.892 4.120 -0.000 0.000 0.305 602 V C -0.659 175.429 176.094 -0.011 0.000 1.257 602 V CA -0.476 61.781 62.300 -0.072 0.000 1.057 602 V CB 2.153 33.936 31.823 -0.066 0.000 1.075 602 V HN 0.704 nan 8.190 nan 0.000 0.443 603 S N 0.990 116.692 115.700 0.002 0.000 2.569 603 S HA 1.005 5.475 4.470 -0.000 0.000 0.280 603 S C -1.008 173.614 174.600 0.036 0.000 1.111 603 S CA -0.356 57.818 58.200 -0.044 0.000 0.887 603 S CB 1.615 64.748 63.200 -0.111 0.000 1.095 603 S HN 1.477 nan 8.310 nan 0.000 0.476 604 F N -0.553 119.301 119.950 -0.161 0.000 2.789 604 F HA 0.829 5.356 4.527 -0.000 0.000 0.319 604 F C -1.294 174.401 175.800 -0.175 0.000 1.168 604 F CA -1.447 56.435 58.000 -0.197 0.000 0.934 604 F CB 1.157 39.989 39.000 -0.280 0.000 1.375 604 F HN 0.441 nan 8.300 nan 0.000 0.480 605 R N 0.039 120.566 120.500 0.045 0.000 2.651 605 R HA 0.401 4.741 4.340 -0.000 0.000 0.278 605 R C -0.895 175.433 176.300 0.046 0.000 1.010 605 R CA -0.854 55.242 56.100 -0.008 0.000 0.896 605 R CB 1.819 32.124 30.300 0.007 0.000 1.211 605 R HN 0.782 nan 8.270 nan 0.000 0.456 606 Y N 0.869 121.240 120.300 0.118 0.000 2.084 606 Y HA -0.067 4.483 4.550 -0.000 0.000 0.279 606 Y C 0.947 176.877 175.900 0.050 0.000 1.119 606 Y CA 1.147 59.305 58.100 0.097 0.000 1.101 606 Y CB 0.293 38.799 38.460 0.075 0.000 0.989 606 Y HN 0.363 nan 8.280 nan 0.000 0.484 607 E N 0.518 120.848 120.200 0.216 0.000 2.250 607 E HA 0.064 4.414 4.350 -0.000 0.000 0.269 607 E C 0.140 176.785 176.600 0.075 0.000 1.018 607 E CA -0.198 56.269 56.400 0.112 0.000 0.873 607 E CB 0.913 30.664 29.700 0.084 0.000 1.134 607 E HN 0.240 nan 8.360 nan 0.000 0.403 608 D N 0.675 121.104 120.400 0.048 0.000 2.265 608 D HA -0.172 4.468 4.640 -0.000 0.000 0.208 608 D C 1.454 177.770 176.300 0.026 0.000 0.977 608 D CA 1.334 55.353 54.000 0.032 0.000 0.871 608 D CB 0.211 41.025 40.800 0.023 0.000 0.925 608 D HN 0.253 nan 8.370 nan 0.000 0.485 609 Q N -0.132 119.687 119.800 0.030 0.000 2.297 609 Q HA 0.215 4.555 4.340 -0.000 0.000 0.203 609 Q C 1.093 177.109 176.000 0.025 0.000 0.931 609 Q CA 0.369 56.185 55.803 0.022 0.000 0.885 609 Q CB 0.023 28.772 28.738 0.019 0.000 0.991 609 Q HN 0.224 nan 8.270 nan 0.000 0.498 610 G N 1.519 110.347 108.800 0.047 0.000 2.760 610 G HA2 0.092 4.052 3.960 -0.000 0.000 0.236 610 G HA3 0.092 4.052 3.960 -0.000 0.000 0.236 610 G C -2.295 172.624 174.900 0.033 0.000 1.243 610 G CA -0.825 44.311 45.100 0.060 0.000 0.850 610 G HN 0.098 nan 8.290 nan 0.000 0.595 611 P HA 0.096 nan 4.420 nan 0.000 0.271 611 P C -0.148 177.117 177.300 -0.059 0.000 1.233 611 P CA -0.615 62.476 63.100 -0.015 0.000 0.789 611 P CB 0.538 32.230 31.700 -0.014 0.000 0.951 612 L N 2.770 123.935 121.223 -0.097 0.000 2.334 612 L HA 0.148 4.488 4.340 -0.000 0.000 0.286 612 L C -0.726 175.980 176.870 -0.274 0.000 1.108 612 L CA -0.079 54.658 54.840 -0.170 0.000 0.875 612 L CB -0.459 41.524 42.059 -0.127 0.000 1.246 612 L HN 0.015 nan 8.230 nan 0.000 0.439 613 V N 4.495 124.113 119.914 -0.495 0.000 2.583 613 V HA 0.256 4.376 4.120 -0.000 0.000 0.287 613 V C 0.347 175.931 176.094 -0.849 0.000 1.051 613 V CA -0.624 61.263 62.300 -0.690 0.000 1.010 613 V CB 1.271 32.522 31.823 -0.954 0.000 0.988 613 V HN 0.738 nan 8.190 nan 0.000 0.478 614 E N 2.696 122.626 120.200 -0.450 0.000 2.166 614 E HA 0.682 5.032 4.350 -0.000 0.000 0.275 614 E C -0.157 176.389 176.600 -0.091 0.000 0.941 614 E CA -0.289 55.959 56.400 -0.253 0.000 0.784 614 E CB 1.708 31.317 29.700 -0.150 0.000 1.115 614 E HN 0.908 nan 8.360 nan 0.000 0.399 615 G N 2.801 111.631 108.800 0.050 0.000 2.576 615 G HA2 0.244 4.204 3.960 -0.000 0.000 0.290 615 G HA3 0.244 4.204 3.960 -0.000 0.000 0.290 615 G C -1.606 173.314 174.900 0.033 0.000 1.442 615 G CA -0.818 44.352 45.100 0.117 0.000 0.792 615 G HN 0.619 nan 8.290 nan 0.000 0.491 616 Q N -0.645 119.134 119.800 -0.034 0.000 2.215 616 Q HA 0.765 5.105 4.340 -0.000 0.000 0.256 616 Q C -0.686 175.261 176.000 -0.088 0.000 0.972 616 Q CA -0.915 54.817 55.803 -0.119 0.000 0.889 616 Q CB 2.322 30.947 28.738 -0.189 0.000 1.281 616 Q HN 0.517 nan 8.270 nan 0.000 0.456 617 L N 1.208 122.349 121.223 -0.137 0.000 2.439 617 L HA 0.560 4.900 4.340 -0.000 0.000 0.269 617 L C 0.034 176.872 176.870 -0.053 0.000 1.179 617 L CA 0.870 55.658 54.840 -0.086 0.000 0.828 617 L CB 0.973 42.946 42.059 -0.142 0.000 1.106 617 L HN 0.895 nan 8.230 nan 0.000 0.467 618 G N 2.977 111.792 108.800 0.026 0.000 3.262 618 G HA2 0.389 4.349 3.960 -0.000 0.000 0.229 618 G HA3 0.389 4.349 3.960 -0.000 0.000 0.229 618 G C -1.132 173.826 174.900 0.097 0.000 1.280 618 G CA -0.645 44.484 45.100 0.050 0.000 0.951 618 G HN 0.589 nan 8.290 nan 0.000 0.589 619 E N 0.864 121.119 120.200 0.092 0.000 2.290 619 E HA 0.192 4.542 4.350 -0.000 0.000 0.277 619 E C -0.303 176.351 176.600 0.090 0.000 1.035 619 E CA -0.111 56.350 56.400 0.102 0.000 0.873 619 E CB 0.741 30.490 29.700 0.081 0.000 1.029 619 E HN 0.458 nan 8.360 nan 0.000 0.419 620 N N 3.761 122.520 118.700 0.099 0.000 2.738 620 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 620 N C -0.913 174.625 175.510 0.047 0.000 1.047 620 N CA 0.905 53.991 53.050 0.060 0.000 0.707 620 N CB -1.183 37.324 38.487 0.032 0.000 0.937 620 N HN 0.703 nan 8.380 nan 0.000 0.545 621 N N -2.027 116.727 118.700 0.089 0.000 2.878 621 N HA -0.260 4.480 4.740 -0.000 0.000 0.247 621 N C -0.193 175.438 175.510 0.202 0.000 1.021 621 N CA 1.396 54.511 53.050 0.109 0.000 0.873 621 N CB -1.313 37.051 38.487 -0.204 0.000 1.128 621 N HN 0.951 nan 8.380 nan 0.000 0.571 622 E N 1.122 121.408 120.200 0.142 0.000 2.398 622 E HA 0.224 4.574 4.350 -0.000 0.000 0.263 622 E C -0.295 176.355 176.600 0.084 0.000 1.046 622 E CA -0.009 56.462 56.400 0.117 0.000 0.908 622 E CB 0.457 30.203 29.700 0.076 0.000 0.963 622 E HN 0.301 nan 8.360 nan 0.000 0.431 623 L N 5.094 126.325 121.223 0.014 0.000 2.313 623 L HA 0.416 4.756 4.340 -0.000 0.000 0.273 623 L C 0.030 176.876 176.870 -0.041 0.000 1.028 623 L CA -0.546 54.223 54.840 -0.118 0.000 0.871 623 L CB 0.932 42.721 42.059 -0.449 0.000 1.242 623 L HN 0.531 nan 8.230 nan 0.000 0.434 624 R N 2.963 123.465 120.500 0.002 0.000 2.265 624 R HA 0.312 4.652 4.340 -0.000 0.000 0.314 624 R C 0.721 177.061 176.300 0.065 0.000 1.053 624 R CA -0.390 55.732 56.100 0.036 0.000 0.931 624 R CB 1.217 31.533 30.300 0.028 0.000 1.024 624 R HN 0.616 nan 8.270 nan 0.000 0.457 625 L N 1.684 122.963 121.223 0.094 0.000 2.599 625 L HA 0.081 4.421 4.340 -0.000 0.000 0.230 625 L C 0.112 177.021 176.870 0.064 0.000 1.141 625 L CA 0.606 55.517 54.840 0.118 0.000 0.877 625 L CB 0.006 42.149 42.059 0.139 0.000 1.009 625 L HN 0.523 nan 8.230 nan 0.000 0.447 626 T N 0.602 115.183 114.554 0.045 0.000 2.864 626 T HA 0.298 4.648 4.350 -0.000 0.000 0.310 626 T C 0.257 174.967 174.700 0.017 0.000 1.040 626 T CA -0.532 61.586 62.100 0.031 0.000 0.977 626 T CB 0.864 69.754 68.868 0.037 0.000 0.976 626 T HN 0.097 nan 8.240 nan 0.000 0.459 627 R N 2.856 123.356 120.500 -0.001 0.000 2.878 627 R HA 0.172 4.512 4.340 -0.000 0.000 0.239 627 R C 0.257 176.606 176.300 0.081 0.000 1.515 627 R CA 0.010 56.095 56.100 -0.025 0.000 1.210 627 R CB -0.288 29.943 30.300 -0.114 0.000 1.209 627 R HN 0.763 nan 8.270 nan 0.000 0.610 628 D N -0.445 120.007 120.400 0.087 0.000 2.514 628 D HA 0.041 4.681 4.640 -0.000 0.000 0.225 628 D C 0.129 176.501 176.300 0.120 0.000 1.159 628 D CA -0.403 53.661 54.000 0.106 0.000 0.823 628 D CB 0.533 41.371 40.800 0.064 0.000 1.097 628 D HN 0.230 nan 8.370 nan 0.000 0.519 629 A N 1.202 124.102 122.820 0.133 0.000 2.475 629 A HA 0.503 4.823 4.320 -0.000 0.000 0.293 629 A C -0.065 177.631 177.584 0.187 0.000 1.252 629 A CA -0.360 51.755 52.037 0.130 0.000 0.920 629 A CB -0.914 18.145 19.000 0.099 0.000 1.125 629 A HN 0.465 nan 8.150 nan 0.000 0.528 630 I N -0.127 120.501 120.570 0.098 0.000 2.740 630 I HA 0.843 5.013 4.170 -0.000 0.000 0.303 630 I C -0.388 175.739 176.117 0.017 0.000 1.044 630 I CA -1.067 60.243 61.300 0.017 0.000 1.064 630 I CB 2.193 40.153 38.000 -0.065 0.000 1.249 630 I HN 0.686 nan 8.210 nan 0.000 0.433 631 E N 2.861 123.054 120.200 -0.012 0.000 2.321 631 E HA 0.529 4.879 4.350 -0.000 0.000 0.281 631 E C -3.109 173.471 176.600 -0.032 0.000 0.910 631 E CA -2.074 54.340 56.400 0.023 0.000 0.770 631 E CB 1.874 31.642 29.700 0.113 0.000 1.225 631 E HN 0.305 nan 8.360 nan 0.000 0.417 632 P HA -0.024 nan 4.420 nan 0.000 0.262 632 P C -0.191 177.068 177.300 -0.068 0.000 1.199 632 P CA -0.266 62.792 63.100 -0.070 0.000 0.763 632 P CB 0.206 31.886 31.700 -0.033 0.000 0.790 633 c N 3.747 122.222 118.600 -0.208 0.000 2.211 633 c HA 0.061 4.631 4.570 -0.000 0.000 0.393 633 c C 1.129 175.223 174.090 0.007 0.000 1.531 633 c CA 0.614 56.771 56.329 -0.286 0.000 1.465 633 c CB -1.736 40.549 42.510 -0.376 0.000 2.534 633 c HN 0.555 nan 8.230 nan 0.000 0.592 634 T N 2.716 117.408 114.554 0.231 0.000 2.916 634 T HA 0.568 4.918 4.350 -0.000 0.000 0.292 634 T C -0.342 174.489 174.700 0.218 0.000 1.064 634 T CA -0.618 61.598 62.100 0.194 0.000 1.011 634 T CB 1.416 70.395 68.868 0.185 0.000 1.152 634 T HN 0.406 nan 8.240 nan 0.000 0.510 635 V N 0.951 120.946 119.914 0.135 0.000 2.539 635 V HA 0.658 4.778 4.120 -0.000 0.000 0.292 635 V C 1.100 177.252 176.094 0.097 0.000 1.045 635 V CA 0.208 62.575 62.300 0.113 0.000 0.945 635 V CB 0.805 32.672 31.823 0.073 0.000 0.993 635 V HN 1.310 nan 8.190 nan 0.000 0.464 636 G N 2.118 110.970 108.800 0.087 0.000 2.203 636 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.231 636 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.231 636 G C 0.037 174.962 174.900 0.041 0.000 1.058 636 G CA 0.101 45.234 45.100 0.055 0.000 0.781 636 G HN 1.035 nan 8.290 nan 0.000 0.496 637 H N 0.753 119.780 119.070 -0.071 0.000 2.705 637 H HA 0.582 5.138 4.556 -0.000 0.000 0.291 637 H C 0.119 175.328 175.328 -0.199 0.000 1.085 637 H CA -0.127 55.809 56.048 -0.187 0.000 1.357 637 H CB 0.434 29.945 29.762 -0.418 0.000 1.419 637 H HN 0.444 nan 8.280 nan 0.000 0.462 638 R N 4.724 124.912 120.500 -0.521 0.000 2.514 638 R HA 0.475 4.815 4.340 -0.000 0.000 0.296 638 R C -0.706 175.266 176.300 -0.547 0.000 1.012 638 R CA -0.970 54.857 56.100 -0.454 0.000 0.897 638 R CB 1.958 32.192 30.300 -0.110 0.000 1.184 638 R HN 0.525 nan 8.270 nan 0.000 0.440 639 R N 2.601 122.677 120.500 -0.707 0.000 2.604 639 R HA 0.326 4.666 4.340 -0.000 0.000 0.281 639 R C -1.372 174.497 176.300 -0.718 0.000 1.020 639 R CA -0.899 54.786 56.100 -0.692 0.000 0.899 639 R CB 1.651 31.458 30.300 -0.823 0.000 1.205 639 R HN 0.528 nan 8.270 nan 0.000 0.450 640 Y N 2.008 121.995 120.300 -0.522 0.000 2.331 640 Y HA 0.490 5.040 4.550 -0.000 0.000 0.338 640 Y C -0.108 175.511 175.900 -0.468 0.000 0.992 640 Y CA -0.515 57.393 58.100 -0.319 0.000 1.121 640 Y CB 1.229 39.469 38.460 -0.366 0.000 1.184 640 Y HN 0.366 nan 8.280 nan 0.000 0.469 641 F N 0.554 120.703 119.950 0.331 0.000 2.482 641 F HA 0.333 4.860 4.527 -0.000 0.000 0.331 641 F C 0.362 176.478 175.800 0.526 0.000 1.115 641 F CA -1.275 56.919 58.000 0.324 0.000 0.955 641 F CB 1.682 40.765 39.000 0.138 0.000 1.136 641 F HN 0.303 nan 8.300 nan 0.000 0.452 642 T N 4.167 119.088 114.554 0.610 0.000 2.734 642 T HA -0.036 4.314 4.350 -0.000 0.000 0.269 642 T C -0.787 174.141 174.700 0.380 0.000 0.964 642 T CA 0.591 62.891 62.100 0.334 0.000 1.226 642 T CB -0.836 68.137 68.868 0.175 0.000 0.910 642 T HN 0.313 nan 8.240 nan 0.000 0.534 643 F N 3.986 124.038 119.950 0.170 0.000 2.434 643 F HA 0.566 5.093 4.527 0.000 0.000 0.355 643 F C 0.872 176.747 175.800 0.126 0.000 1.115 643 F CA -0.439 57.694 58.000 0.221 0.000 1.010 643 F CB 0.043 39.231 39.000 0.313 0.000 1.234 643 F HN 0.795 nan 8.300 nan 0.000 0.439 644 G N 4.309 112.966 108.800 -0.239 0.000 2.531 644 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.274 644 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.274 644 G C 0.951 175.682 174.900 -0.281 0.000 1.159 644 G CA -0.027 44.838 45.100 -0.391 0.000 0.969 644 G HN 1.462 nan 8.290 nan 0.000 0.554 645 G N 0.809 109.481 108.800 -0.214 0.000 3.262 645 G HA2 0.616 4.576 3.960 -0.000 0.000 0.228 645 G HA3 0.616 4.576 3.960 -0.000 0.000 0.228 645 G C 0.715 175.525 174.900 -0.151 0.000 1.197 645 G CA 1.562 46.566 45.100 -0.159 0.000 0.819 645 G HN 1.842 nan 8.290 nan 0.000 0.531 646 G N -1.009 107.689 108.800 -0.170 0.000 2.894 646 G HA2 0.527 4.487 3.960 -0.000 0.000 0.164 646 G HA3 0.527 4.487 3.960 -0.000 0.000 0.164 646 G C -1.500 173.247 174.900 -0.254 0.000 1.180 646 G CA -0.741 44.247 45.100 -0.187 0.000 0.997 646 G HN 0.060 nan 8.290 nan 0.000 0.572 647 Y N -2.016 118.426 120.300 0.237 0.000 2.662 647 Y HA 0.728 5.278 4.550 -0.000 0.000 0.335 647 Y C -0.403 175.766 175.900 0.448 0.000 1.066 647 Y CA -0.932 57.371 58.100 0.338 0.000 1.116 647 Y CB 2.601 41.246 38.460 0.308 0.000 1.308 647 Y HN 0.370 nan 8.280 nan 0.000 0.502 648 V N 1.312 121.639 119.914 0.689 0.000 2.638 648 V HA 0.355 4.475 4.120 -0.000 0.000 0.306 648 V C -1.952 174.413 176.094 0.452 0.000 1.052 648 V CA -0.748 61.890 62.300 0.563 0.000 0.885 648 V CB 1.729 33.869 31.823 0.528 0.000 0.999 648 V HN 0.626 nan 8.190 nan 0.000 0.424 649 Y N 6.766 127.027 120.300 -0.065 0.000 2.356 649 Y HA 0.653 5.203 4.550 0.000 0.000 0.334 649 Y C -0.971 174.805 175.900 -0.207 0.000 0.958 649 Y CA -1.031 56.879 58.100 -0.316 0.000 1.196 649 Y CB 0.975 38.980 38.460 -0.760 0.000 1.137 649 Y HN 0.542 nan 8.280 nan 0.000 0.485 650 F N 3.944 123.535 119.950 -0.598 0.000 2.404 650 F HA 0.410 4.937 4.527 -0.000 0.000 0.339 650 F C 0.089 175.436 175.800 -0.754 0.000 1.105 650 F CA -0.776 56.977 58.000 -0.412 0.000 1.087 650 F CB 1.500 40.509 39.000 0.016 0.000 1.143 650 F HN 0.445 nan 8.300 nan 0.000 0.491 651 E N 2.682 122.689 120.200 -0.322 0.000 2.244 651 E HA 0.247 4.597 4.350 -0.000 0.000 0.260 651 E C -0.999 175.611 176.600 0.016 0.000 0.884 651 E CA -0.449 55.812 56.400 -0.231 0.000 0.777 651 E CB 0.734 30.336 29.700 -0.164 0.000 1.197 651 E HN 0.584 nan 8.360 nan 0.000 0.416 652 E N 3.327 123.601 120.200 0.124 0.000 2.340 652 E HA -0.260 4.090 4.350 -0.000 0.000 0.240 652 E C -0.880 175.828 176.600 0.180 0.000 1.154 652 E CA 1.107 57.588 56.400 0.134 0.000 0.717 652 E CB -2.149 27.623 29.700 0.121 0.000 1.250 652 E HN 0.858 nan 8.360 nan 0.000 0.386 653 Y N -3.537 116.807 120.300 0.073 0.000 3.825 653 Y HA -0.252 4.298 4.550 0.000 0.000 0.221 653 Y C 0.568 176.595 175.900 0.212 0.000 1.195 653 Y CA 0.891 59.011 58.100 0.034 0.000 1.699 653 Y CB -1.570 36.808 38.460 -0.136 0.000 1.531 653 Y HN 0.590 nan 8.280 nan 0.000 0.640 654 A N -0.288 122.731 122.820 0.332 0.000 2.456 654 A HA 0.528 4.848 4.320 -0.000 0.000 0.288 654 A C -0.879 176.562 177.584 -0.238 0.000 1.042 654 A CA -0.845 51.278 52.037 0.144 0.000 0.738 654 A CB 0.429 19.479 19.000 0.084 0.000 1.266 654 A HN 0.359 nan 8.150 nan 0.000 0.407 655 Y N 2.741 122.444 120.300 -0.995 0.000 2.810 655 Y HA 0.193 4.743 4.550 -0.000 0.000 0.332 655 Y C 1.294 176.883 175.900 -0.519 0.000 1.243 655 Y CA 1.708 58.934 58.100 -1.457 0.000 1.537 655 Y CB 0.984 38.651 38.460 -1.323 0.000 1.265 655 Y HN 0.715 nan 8.280 nan 0.000 0.572 656 S N 4.263 119.395 115.700 -0.948 0.000 2.510 656 S HA 0.126 4.596 4.470 -0.000 0.000 0.230 656 S C -0.404 173.844 174.600 -0.587 0.000 1.066 656 S CA 0.655 58.581 58.200 -0.456 0.000 0.941 656 S CB -0.162 63.062 63.200 0.040 0.000 0.829 656 S HN 0.964 nan 8.310 nan 0.000 0.530 657 H N -0.984 117.404 119.070 -1.137 0.000 2.894 657 H HA 0.415 4.971 4.556 -0.000 0.000 0.282 657 H C -1.408 173.812 175.328 -0.180 0.000 1.448 657 H CA -0.840 54.839 56.048 -0.615 0.000 1.158 657 H CB -0.030 29.638 29.762 -0.158 0.000 1.818 657 H HN 0.255 nan 8.280 nan 0.000 0.493 658 Q N -0.093 119.844 119.800 0.228 0.000 2.204 658 Q HA 0.756 5.096 4.340 -0.000 0.000 0.175 658 Q C -0.475 175.685 176.000 0.267 0.000 1.020 658 Q CA -1.084 54.922 55.803 0.339 0.000 1.078 658 Q CB 1.696 30.724 28.738 0.483 0.000 1.228 658 Q HN 0.451 nan 8.270 nan 0.000 0.550 659 L N -0.537 120.879 121.223 0.321 0.000 2.582 659 L HA 0.322 4.662 4.340 -0.000 0.000 0.257 659 L C -1.078 175.941 176.870 0.248 0.000 0.974 659 L CA -0.490 54.532 54.840 0.304 0.000 0.851 659 L CB 2.500 44.788 42.059 0.382 0.000 1.424 659 L HN 0.534 nan 8.230 nan 0.000 0.412 660 S N 0.464 116.283 115.700 0.197 0.000 2.651 660 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 660 S C 0.708 175.398 174.600 0.150 0.000 1.141 660 S CA -0.499 57.778 58.200 0.128 0.000 1.027 660 S CB 1.759 65.013 63.200 0.091 0.000 1.043 660 S HN 0.696 nan 8.310 nan 0.000 0.530 661 R N 1.488 122.033 120.500 0.075 0.000 2.193 661 R HA 0.093 4.433 4.340 -0.000 0.000 0.213 661 R C 1.338 177.691 176.300 0.089 0.000 1.055 661 R CA 0.883 57.038 56.100 0.091 0.000 0.995 661 R CB -0.529 29.764 30.300 -0.012 0.000 0.893 661 R HN 0.693 nan 8.270 nan 0.000 0.459 662 A N 0.900 123.758 122.820 0.063 0.000 2.281 662 A HA -0.003 4.317 4.320 -0.000 0.000 0.231 662 A C 0.170 177.780 177.584 0.044 0.000 1.317 662 A CA 0.411 52.475 52.037 0.045 0.000 0.959 662 A CB -0.140 18.880 19.000 0.034 0.000 0.900 662 A HN 0.181 nan 8.150 nan 0.000 0.497 663 D N -0.671 119.764 120.400 0.059 0.000 3.084 663 D HA 0.140 4.780 4.640 -0.000 0.000 0.294 663 D C 0.052 176.352 176.300 -0.001 0.000 1.165 663 D CA 0.115 54.138 54.000 0.037 0.000 1.008 663 D CB -0.278 40.560 40.800 0.065 0.000 1.266 663 D HN 0.307 nan 8.370 nan 0.000 0.449 664 I N 3.114 123.676 120.570 -0.013 0.000 2.662 664 I HA -0.012 4.158 4.170 -0.000 0.000 0.285 664 I C 0.906 176.988 176.117 -0.059 0.000 1.161 664 I CA -0.062 61.181 61.300 -0.095 0.000 1.415 664 I CB 0.024 37.911 38.000 -0.188 0.000 1.385 664 I HN -0.009 nan 8.210 nan 0.000 0.552 665 T N 2.249 116.758 114.554 -0.075 0.000 2.923 665 T HA 0.029 4.379 4.350 -0.000 0.000 0.304 665 T C 0.324 174.992 174.700 -0.053 0.000 1.044 665 T CA -0.543 61.523 62.100 -0.055 0.000 1.141 665 T CB -0.235 68.596 68.868 -0.061 0.000 1.023 665 T HN 0.610 nan 8.240 nan 0.000 0.533 666 T N 3.988 118.521 114.554 -0.036 0.000 2.758 666 T HA 0.551 4.901 4.350 -0.000 0.000 0.285 666 T C 0.561 175.230 174.700 -0.052 0.000 0.981 666 T CA -0.726 61.352 62.100 -0.036 0.000 0.965 666 T CB 0.837 69.696 68.868 -0.015 0.000 0.927 666 T HN 0.857 nan 8.240 nan 0.000 0.448 667 V N 1.042 120.911 119.914 -0.075 0.000 3.211 667 V HA 0.945 5.065 4.120 -0.000 0.000 0.319 667 V C 0.048 176.053 176.094 -0.149 0.000 1.096 667 V CA -0.892 61.352 62.300 -0.093 0.000 1.029 667 V CB 1.887 33.654 31.823 -0.093 0.000 1.137 667 V HN 0.742 nan 8.190 nan 0.000 0.453 668 S N -0.602 114.993 115.700 -0.175 0.000 2.547 668 S HA 0.509 4.979 4.470 -0.000 0.000 0.281 668 S C 0.670 175.084 174.600 -0.310 0.000 1.118 668 S CA 0.137 58.144 58.200 -0.321 0.000 0.947 668 S CB 1.839 64.913 63.200 -0.211 0.000 1.053 668 S HN 1.374 nan 8.310 nan 0.000 0.482 669 T N 1.642 115.901 114.554 -0.492 0.000 3.054 669 T HA 0.263 4.613 4.350 -0.000 0.000 0.259 669 T C 0.416 175.063 174.700 -0.087 0.000 1.092 669 T CA 0.240 62.184 62.100 -0.261 0.000 1.121 669 T CB -0.501 68.232 68.868 -0.225 0.000 0.912 669 T HN 0.407 nan 8.240 nan 0.000 0.489 670 F N 2.044 121.996 119.950 0.003 0.000 2.578 670 F HA 0.389 4.916 4.527 -0.000 0.000 0.376 670 F C 0.717 176.524 175.800 0.012 0.000 1.085 670 F CA -2.240 55.767 58.000 0.012 0.000 1.260 670 F CB -0.382 38.628 39.000 0.017 0.000 1.095 670 F HN 0.084 nan 8.300 nan 0.000 0.573 671 I N 4.170 124.864 120.570 0.206 0.000 2.325 671 I HA 0.126 4.296 4.170 -0.000 0.000 0.291 671 I C -0.095 176.091 176.117 0.115 0.000 1.019 671 I CA -0.578 60.795 61.300 0.122 0.000 1.302 671 I CB 0.626 38.678 38.000 0.087 0.000 1.401 671 I HN 0.465 nan 8.210 nan 0.000 0.485 672 D N 6.074 126.531 120.400 0.094 0.000 2.344 672 D HA 0.534 5.174 4.640 -0.000 0.000 0.244 672 D C -0.651 175.681 176.300 0.054 0.000 1.134 672 D CA 0.046 54.091 54.000 0.075 0.000 0.930 672 D CB 1.273 42.113 40.800 0.066 0.000 1.175 672 D HN 0.153 nan 8.370 nan 0.000 0.437 673 L N 1.343 122.591 121.223 0.042 0.000 2.639 673 L HA 0.292 4.632 4.340 -0.000 0.000 0.264 673 L C -1.938 174.944 176.870 0.021 0.000 0.948 673 L CA -0.448 54.411 54.840 0.033 0.000 0.912 673 L CB 1.424 43.505 42.059 0.038 0.000 1.294 673 L HN 0.262 nan 8.230 nan 0.000 0.412 674 N N 7.092 125.802 118.700 0.017 0.000 2.609 674 N HA 0.439 5.179 4.740 -0.000 0.000 0.234 674 N C -0.829 174.685 175.510 0.007 0.000 1.001 674 N CA -0.196 52.860 53.050 0.011 0.000 0.926 674 N CB 1.534 40.029 38.487 0.012 0.000 1.130 674 N HN 0.529 nan 8.380 nan 0.000 0.510 675 I N 1.434 122.005 120.570 0.001 0.000 2.353 675 I HA 0.166 4.336 4.170 -0.000 0.000 0.293 675 I C 1.065 177.180 176.117 -0.004 0.000 0.992 675 I CA -0.403 60.895 61.300 -0.003 0.000 1.268 675 I CB 1.452 39.447 38.000 -0.010 0.000 1.387 675 I HN 0.349 nan 8.210 nan 0.000 0.478 676 T N 3.861 118.413 114.554 -0.002 0.000 2.949 676 T HA 0.549 4.899 4.350 -0.000 0.000 0.287 676 T C -0.066 174.632 174.700 -0.003 0.000 1.034 676 T CA -1.066 61.033 62.100 -0.002 0.000 1.018 676 T CB 1.535 70.403 68.868 0.001 0.000 1.135 676 T HN 0.235 nan 8.240 nan 0.000 0.532 677 M N 1.701 121.300 119.600 -0.001 0.000 2.235 677 M HA 0.342 4.822 4.480 -0.000 0.000 0.351 677 M C -0.476 175.827 176.300 0.006 0.000 1.178 677 M CA -0.853 54.447 55.300 0.000 0.000 1.143 677 M CB 0.968 33.568 32.600 0.001 0.000 1.530 677 M HN 0.669 nan 8.290 nan 0.000 0.461 678 L N 4.214 125.442 121.223 0.009 0.000 2.312 678 L HA 0.213 4.553 4.340 -0.000 0.000 0.287 678 L C 0.349 177.233 176.870 0.023 0.000 1.091 678 L CA 0.272 55.121 54.840 0.016 0.000 0.846 678 L CB -0.114 41.956 42.059 0.019 0.000 1.219 678 L HN 0.489 nan 8.230 nan 0.000 0.439 679 E N 2.518 122.733 120.200 0.023 0.000 2.392 679 E HA 0.069 4.419 4.350 -0.000 0.000 0.259 679 E C -0.479 176.147 176.600 0.043 0.000 1.108 679 E CA -0.337 56.078 56.400 0.026 0.000 0.916 679 E CB 0.592 30.302 29.700 0.017 0.000 0.989 679 E HN 0.565 nan 8.360 nan 0.000 0.432 680 D N 0.664 121.088 120.400 0.039 0.000 2.390 680 D HA 0.038 4.678 4.640 -0.000 0.000 0.236 680 D C 0.142 176.479 176.300 0.062 0.000 1.189 680 D CA 0.768 54.801 54.000 0.055 0.000 0.887 680 D CB 0.319 41.139 40.800 0.032 0.000 1.198 680 D HN 0.372 nan 8.370 nan 0.000 0.444 681 H N -1.027 118.011 119.070 -0.054 0.000 2.806 681 H HA 0.235 4.791 4.556 -0.000 0.000 0.367 681 H C -1.201 174.004 175.328 -0.204 0.000 1.136 681 H CA -0.787 55.156 56.048 -0.175 0.000 1.178 681 H CB 1.526 31.102 29.762 -0.310 0.000 1.718 681 H HN 0.293 nan 8.280 nan 0.000 0.540 682 E N 5.201 125.003 120.200 -0.662 0.000 2.089 682 E HA 0.136 4.486 4.350 -0.000 0.000 0.284 682 E C -1.060 175.357 176.600 -0.304 0.000 1.023 682 E CA -0.613 55.583 56.400 -0.340 0.000 0.819 682 E CB 0.340 29.875 29.700 -0.276 0.000 1.076 682 E HN 0.441 nan 8.360 nan 0.000 0.396 683 F N 4.653 124.650 119.950 0.079 0.000 2.423 683 F HA 0.136 4.663 4.527 -0.000 0.000 0.356 683 F C 0.172 176.003 175.800 0.052 0.000 1.170 683 F CA -0.531 57.539 58.000 0.117 0.000 1.163 683 F CB 0.766 39.834 39.000 0.114 0.000 1.318 683 F HN 0.215 nan 8.300 nan 0.000 0.569 684 V N 5.440 125.446 119.914 0.154 0.000 2.637 684 V HA 0.057 4.177 4.120 -0.000 0.000 0.296 684 V C -1.685 174.476 176.094 0.113 0.000 1.046 684 V CA -1.503 60.853 62.300 0.094 0.000 1.066 684 V CB 0.349 32.197 31.823 0.042 0.000 0.968 684 V HN 0.457 nan 8.190 nan 0.000 0.483 685 P HA 0.176 nan 4.420 nan 0.000 0.260 685 P C -0.884 176.452 177.300 0.060 0.000 1.207 685 P CA 0.053 63.195 63.100 0.070 0.000 0.780 685 P CB 0.137 31.869 31.700 0.054 0.000 0.789 686 L N 3.798 125.059 121.223 0.064 0.000 2.385 686 L HA 0.451 4.791 4.340 -0.000 0.000 0.273 686 L C -0.479 176.415 176.870 0.040 0.000 0.990 686 L CA -0.287 54.582 54.840 0.048 0.000 0.821 686 L CB 1.765 43.858 42.059 0.056 0.000 1.279 686 L HN 0.276 nan 8.230 nan 0.000 0.412 687 E N 3.079 123.295 120.200 0.026 0.000 2.293 687 E HA 0.373 4.723 4.350 -0.000 0.000 0.270 687 E C 0.118 176.705 176.600 -0.022 0.000 0.879 687 E CA -0.826 55.589 56.400 0.025 0.000 0.756 687 E CB 2.362 32.091 29.700 0.049 0.000 1.208 687 E HN 0.407 nan 8.360 nan 0.000 0.428 688 V N 1.412 121.299 119.914 -0.045 0.000 2.221 688 V HA -0.149 3.971 4.120 -0.000 0.000 0.242 688 V C 0.156 176.038 176.094 -0.353 0.000 1.041 688 V CA 1.319 63.492 62.300 -0.212 0.000 0.995 688 V CB -0.349 31.364 31.823 -0.184 0.000 0.635 688 V HN 0.555 nan 8.190 nan 0.000 0.448 689 Y N 0.599 120.923 120.300 0.040 0.000 2.335 689 Y HA 0.494 5.044 4.550 -0.000 0.000 0.338 689 Y C 0.715 176.647 175.900 0.053 0.000 0.977 689 Y CA -0.892 57.236 58.100 0.045 0.000 1.114 689 Y CB 1.096 39.578 38.460 0.038 0.000 1.182 689 Y HN 0.200 nan 8.280 nan 0.000 0.463 690 T N -0.780 113.900 114.554 0.210 0.000 2.860 690 T HA 0.158 4.508 4.350 -0.000 0.000 0.299 690 T C 1.282 176.060 174.700 0.130 0.000 1.045 690 T CA -0.741 61.472 62.100 0.189 0.000 1.071 690 T CB 0.928 69.984 68.868 0.314 0.000 0.985 690 T HN 0.891 nan 8.240 nan 0.000 0.537 691 R N 0.709 121.199 120.500 -0.017 0.000 2.200 691 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 691 R C 1.514 177.726 176.300 -0.148 0.000 1.127 691 R CA 1.940 57.966 56.100 -0.122 0.000 0.989 691 R CB -0.992 29.180 30.300 -0.212 0.000 0.869 691 R HN 0.870 nan 8.270 nan 0.000 0.459 692 H N 0.754 119.851 119.070 0.047 0.000 2.357 692 H HA 0.011 4.567 4.556 -0.000 0.000 0.301 692 H C 1.730 177.085 175.328 0.046 0.000 1.082 692 H CA 1.720 57.792 56.048 0.040 0.000 1.342 692 H CB -0.046 29.738 29.762 0.037 0.000 1.389 692 H HN 0.433 nan 8.280 nan 0.000 0.511 693 E N 0.620 120.940 120.200 0.200 0.000 2.028 693 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 693 E C 2.041 178.685 176.600 0.073 0.000 0.988 693 E CA 0.961 57.450 56.400 0.149 0.000 0.799 693 E CB 0.022 29.857 29.700 0.225 0.000 0.755 693 E HN 0.305 nan 8.360 nan 0.000 0.447 694 I N 1.678 122.281 120.570 0.055 0.000 2.151 694 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 694 I C 2.466 178.580 176.117 -0.005 0.000 1.080 694 I CA 1.485 62.781 61.300 -0.007 0.000 1.339 694 I CB -0.969 37.030 38.000 -0.001 0.000 1.039 694 I HN 0.058 nan 8.210 nan 0.000 0.409 695 K N 1.441 121.846 120.400 0.008 0.000 2.032 695 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 695 K C 1.743 178.356 176.600 0.023 0.000 1.048 695 K CA 1.994 58.287 56.287 0.011 0.000 0.927 695 K CB -0.446 32.060 32.500 0.010 0.000 0.712 695 K HN 0.165 nan 8.250 nan 0.000 0.441 696 D N -0.620 119.805 120.400 0.041 0.000 2.347 696 D HA -0.035 4.605 4.640 -0.000 0.000 0.215 696 D C 0.931 177.245 176.300 0.022 0.000 0.976 696 D CA 0.874 54.898 54.000 0.041 0.000 0.884 696 D CB -0.042 40.794 40.800 0.061 0.000 0.915 696 D HN 0.333 nan 8.370 nan 0.000 0.526 697 S N -1.243 114.460 115.700 0.005 0.000 2.660 697 S HA 0.123 4.593 4.470 -0.000 0.000 0.228 697 S C 1.120 175.711 174.600 -0.016 0.000 0.966 697 S CA -0.065 58.124 58.200 -0.018 0.000 0.940 697 S CB -0.252 62.910 63.200 -0.063 0.000 0.773 697 S HN 0.185 nan 8.310 nan 0.000 0.535 698 G N 0.637 109.436 108.800 -0.002 0.000 2.367 698 G HA2 0.559 4.519 3.960 -0.000 0.000 0.314 698 G HA3 0.559 4.519 3.960 -0.000 0.000 0.314 698 G C 0.264 175.168 174.900 0.008 0.000 1.130 698 G CA -0.744 44.356 45.100 0.001 0.000 0.864 698 G HN 0.258 nan 8.290 nan 0.000 0.486 699 L N 2.030 123.256 121.223 0.005 0.000 2.095 699 L HA 0.402 4.742 4.340 -0.000 0.000 0.204 699 L C 0.744 177.623 176.870 0.016 0.000 1.080 699 L CA 1.277 56.121 54.840 0.008 0.000 0.759 699 L CB -0.212 41.848 42.059 0.002 0.000 0.914 699 L HN 0.394 nan 8.230 nan 0.000 0.439 700 L N 0.090 121.326 121.223 0.022 0.000 2.385 700 L HA 0.341 4.681 4.340 -0.000 0.000 0.273 700 L C -1.319 175.582 176.870 0.052 0.000 0.990 700 L CA -0.751 54.111 54.840 0.036 0.000 0.821 700 L CB 1.815 43.899 42.059 0.041 0.000 1.279 700 L HN -0.036 nan 8.230 nan 0.000 0.412 701 D N 0.772 121.206 120.400 0.057 0.000 2.349 701 D HA 0.102 4.742 4.640 -0.000 0.000 0.232 701 D C 0.581 176.947 176.300 0.110 0.000 1.071 701 D CA -0.311 53.735 54.000 0.076 0.000 0.832 701 D CB 0.997 41.827 40.800 0.050 0.000 1.086 701 D HN 0.364 nan 8.370 nan 0.000 0.504 702 Y N 3.097 123.403 120.300 0.009 0.000 2.102 702 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 702 Y C 1.917 177.825 175.900 0.014 0.000 1.178 702 Y CA 2.182 60.289 58.100 0.012 0.000 1.146 702 Y CB -0.673 37.795 38.460 0.014 0.000 0.968 702 Y HN 0.456 nan 8.280 nan 0.000 0.504 703 T N 0.398 114.933 114.554 -0.033 0.000 2.652 703 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 703 T C 1.683 176.315 174.700 -0.113 0.000 1.039 703 T CA 2.001 64.033 62.100 -0.113 0.000 1.153 703 T CB -0.274 68.585 68.868 -0.014 0.000 0.863 703 T HN 0.496 nan 8.240 nan 0.000 0.428 704 E N 0.383 120.554 120.200 -0.048 0.000 2.110 704 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 704 E C 2.335 178.908 176.600 -0.045 0.000 0.988 704 E CA 0.923 57.304 56.400 -0.032 0.000 0.804 704 E CB -0.192 29.506 29.700 -0.003 0.000 0.745 704 E HN 0.290 nan 8.360 nan 0.000 0.458 705 V N 1.577 121.457 119.914 -0.057 0.000 2.515 705 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 705 V C 2.225 178.262 176.094 -0.096 0.000 1.058 705 V CA 1.386 63.656 62.300 -0.049 0.000 1.064 705 V CB -0.395 31.419 31.823 -0.015 0.000 0.675 705 V HN 0.217 nan 8.190 nan 0.000 0.461 706 Q N -0.251 119.427 119.800 -0.204 0.000 2.062 706 Q HA -0.057 4.283 4.340 -0.000 0.000 0.196 706 Q C 2.426 178.357 176.000 -0.115 0.000 0.967 706 Q CA 0.942 56.610 55.803 -0.225 0.000 0.832 706 Q CB -0.499 27.980 28.738 -0.432 0.000 0.899 706 Q HN 0.433 nan 8.270 nan 0.000 0.442 707 R N 1.352 121.793 120.500 -0.098 0.000 2.083 707 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 707 R C 2.187 178.477 176.300 -0.015 0.000 1.137 707 R CA 1.543 57.614 56.100 -0.048 0.000 0.951 707 R CB -0.213 30.063 30.300 -0.039 0.000 0.851 707 R HN 0.184 nan 8.270 nan 0.000 0.434 708 R N 0.087 120.582 120.500 -0.008 0.000 2.061 708 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 708 R C 1.894 178.229 176.300 0.058 0.000 1.140 708 R CA 1.747 57.862 56.100 0.026 0.000 0.940 708 R CB -0.257 30.060 30.300 0.028 0.000 0.839 708 R HN 0.210 nan 8.270 nan 0.000 0.429 709 N N 0.929 119.655 118.700 0.043 0.000 2.166 709 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 709 N C 1.676 177.241 175.510 0.091 0.000 1.019 709 N CA 1.372 54.466 53.050 0.072 0.000 0.856 709 N CB -0.215 38.286 38.487 0.022 0.000 0.993 709 N HN 0.432 nan 8.380 nan 0.000 0.426 710 Q N 0.069 119.896 119.800 0.044 0.000 2.364 710 Q HA 0.063 4.403 4.340 -0.000 0.000 0.207 710 Q C 1.637 177.684 176.000 0.078 0.000 0.970 710 Q CA 0.407 56.237 55.803 0.046 0.000 0.888 710 Q CB 0.012 28.753 28.738 0.006 0.000 0.951 710 Q HN 0.377 nan 8.270 nan 0.000 0.469 711 L N -0.310 120.963 121.223 0.084 0.000 2.552 711 L HA -0.112 4.228 4.340 -0.000 0.000 0.227 711 L C 1.916 178.871 176.870 0.141 0.000 1.146 711 L CA 0.199 55.086 54.840 0.079 0.000 0.858 711 L CB -0.345 41.741 42.059 0.045 0.000 0.969 711 L HN 0.316 nan 8.230 nan 0.000 0.451 712 H N 0.915 120.056 119.070 0.118 0.000 2.371 712 H HA -0.282 4.274 4.556 -0.000 0.000 0.292 712 H C 1.832 177.306 175.328 0.244 0.000 1.066 712 H CA 2.519 58.700 56.048 0.222 0.000 1.153 712 H CB 0.130 29.958 29.762 0.111 0.000 1.375 712 H HN 0.209 nan 8.280 nan 0.000 0.558 713 D N 0.028 120.635 120.400 0.345 0.000 2.228 713 D HA -0.163 4.477 4.640 -0.000 0.000 0.203 713 D C 2.470 178.834 176.300 0.107 0.000 0.988 713 D CA 1.067 55.203 54.000 0.228 0.000 0.864 713 D CB -0.250 40.648 40.800 0.164 0.000 0.928 713 D HN 0.417 nan 8.370 nan 0.000 0.469 714 L N 0.074 121.338 121.223 0.069 0.000 2.056 714 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 714 L C 2.603 179.431 176.870 -0.070 0.000 1.078 714 L CA 1.144 55.986 54.840 0.003 0.000 0.749 714 L CB -0.059 42.000 42.059 0.000 0.000 0.901 714 L HN -0.072 nan 8.230 nan 0.000 0.433 715 R N -1.132 119.285 120.500 -0.139 0.000 2.080 715 R HA -0.018 4.322 4.340 -0.000 0.000 0.222 715 R C 1.404 177.394 176.300 -0.516 0.000 1.107 715 R CA 1.078 56.931 56.100 -0.411 0.000 0.980 715 R CB -0.015 29.872 30.300 -0.688 0.000 0.879 715 R HN 0.185 nan 8.270 nan 0.000 0.439 716 F N -0.401 119.461 119.950 -0.147 0.000 2.639 716 F HA 0.451 4.978 4.527 -0.000 0.000 0.302 716 F C 0.492 176.262 175.800 -0.050 0.000 1.097 716 F CA -0.360 57.556 58.000 -0.140 0.000 1.294 716 F CB 0.942 39.764 39.000 -0.297 0.000 1.027 716 F HN 0.002 nan 8.300 nan 0.000 0.550 717 A N -0.929 121.943 122.820 0.087 0.000 2.809 717 A HA 0.463 4.783 4.320 -0.000 0.000 0.310 717 A C -1.876 175.730 177.584 0.037 0.000 1.138 717 A CA -0.679 51.404 52.037 0.077 0.000 0.610 717 A CB 0.918 19.985 19.000 0.112 0.000 1.432 717 A HN -0.028 nan 8.150 nan 0.000 0.597 718 D N 0.332 120.755 120.400 0.038 0.000 2.788 718 D HA 0.461 5.101 4.640 -0.000 0.000 0.247 718 D C 0.184 176.500 176.300 0.027 0.000 1.236 718 D CA -0.144 53.870 54.000 0.023 0.000 0.898 718 D CB 1.316 42.126 40.800 0.015 0.000 1.401 718 D HN 0.656 nan 8.370 nan 0.000 0.549 719 I N 0.200 120.784 120.570 0.023 0.000 3.883 719 I HA 0.176 4.346 4.170 -0.000 0.000 0.326 719 I C 0.258 176.385 176.117 0.017 0.000 1.283 719 I CA -0.125 61.189 61.300 0.024 0.000 1.161 719 I CB 0.337 38.352 38.000 0.025 0.000 1.012 719 I HN 0.010 nan 8.210 nan 0.000 0.421 720 D N 1.927 122.336 120.400 0.014 0.000 2.584 720 D HA 0.002 4.642 4.640 -0.000 0.000 0.254 720 D C 1.131 177.438 176.300 0.013 0.000 1.085 720 D CA 1.449 55.456 54.000 0.011 0.000 0.971 720 D CB -0.634 40.170 40.800 0.007 0.000 1.103 720 D HN 0.377 nan 8.370 nan 0.000 0.453 721 T N 0.446 115.008 114.554 0.013 0.000 2.946 721 T HA 0.262 4.612 4.350 -0.000 0.000 0.312 721 T C 0.304 175.015 174.700 0.018 0.000 1.066 721 T CA -0.430 61.678 62.100 0.014 0.000 1.138 721 T CB 0.829 69.704 68.868 0.013 0.000 1.014 721 T HN -0.182 nan 8.240 nan 0.000 0.544 722 V N 3.880 123.807 119.914 0.022 0.000 2.680 722 V HA 0.572 4.692 4.120 -0.000 0.000 0.309 722 V C -0.154 175.962 176.094 0.037 0.000 1.052 722 V CA -1.129 61.188 62.300 0.027 0.000 0.908 722 V CB 1.727 33.567 31.823 0.029 0.000 1.001 722 V HN 0.835 nan 8.190 nan 0.000 0.431 723 I N 3.749 124.341 120.570 0.037 0.000 2.646 723 I HA 0.525 4.695 4.170 -0.000 0.000 0.299 723 I C -0.115 176.041 176.117 0.065 0.000 1.036 723 I CA -0.393 60.929 61.300 0.036 0.000 1.074 723 I CB 1.849 39.846 38.000 -0.005 0.000 1.258 723 I HN 0.878 nan 8.210 nan 0.000 0.430 724 H N 0.000 119.069 119.070 -0.002 0.000 2.539 724 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 724 H CA 0.000 56.046 56.048 -0.003 0.000 1.023 724 H CB 0.000 29.761 29.762 -0.002 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496