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_A 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 SRKPXXXXXX 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 0.000 176.271 176.300 -0.048 0.000 2.045 103 D CA 0.000 53.972 54.000 -0.046 0.000 0.868 103 D CB 0.000 40.768 40.800 -0.054 0.000 0.688 104 I N 1.625 122.142 120.570 -0.089 0.000 2.308 104 I HA 0.434 4.604 4.170 0.000 0.000 0.293 104 I C 0.193 176.319 176.117 0.015 0.000 1.078 104 I CA -0.591 60.654 61.300 -0.093 0.000 1.292 104 I CB 0.486 38.295 38.000 -0.318 0.000 1.423 104 I HN -0.108 nan 8.210 nan 0.000 0.493 105 K N 5.430 125.880 120.400 0.083 0.000 2.502 105 K HA 0.888 5.208 4.320 0.000 0.000 0.252 105 K C -0.094 176.689 176.600 0.305 0.000 1.043 105 K CA -0.927 55.460 56.287 0.167 0.000 0.999 105 K CB 0.723 33.269 32.500 0.076 0.000 1.343 105 K HN 0.557 nan 8.250 nan 0.000 0.513 106 A N 0.180 123.167 122.820 0.279 0.000 2.287 106 A HA 0.195 4.515 4.320 0.000 0.000 0.273 106 A C 0.111 177.796 177.584 0.168 0.000 1.091 106 A CA -0.351 51.855 52.037 0.281 0.000 0.817 106 A CB 0.345 19.272 19.000 -0.122 0.000 1.069 106 A HN 0.871 nan 8.150 nan 0.000 0.492 107 E N 0.152 120.457 120.200 0.174 0.000 2.329 107 E HA 0.013 4.363 4.350 0.000 0.000 0.189 107 E C -0.309 176.340 176.600 0.081 0.000 0.997 107 E CA -0.045 56.430 56.400 0.124 0.000 1.062 107 E CB -0.067 29.722 29.700 0.148 0.000 1.260 107 E HN 0.755 nan 8.360 nan 0.000 0.490 108 N N 2.376 121.125 118.700 0.081 0.000 2.394 108 N HA -0.029 4.711 4.740 0.000 0.000 0.288 108 N C -0.115 175.408 175.510 0.022 0.000 1.272 108 N CA 0.211 53.289 53.050 0.045 0.000 1.004 108 N CB 0.503 39.012 38.487 0.037 0.000 1.393 108 N HN 0.179 nan 8.380 nan 0.000 0.488 109 T N -2.198 112.368 114.554 0.020 0.000 3.509 109 T HA 0.005 4.355 4.350 0.000 0.000 0.250 109 T C 0.505 175.207 174.700 0.003 0.000 1.076 109 T CA -0.233 61.874 62.100 0.011 0.000 0.966 109 T CB -0.050 68.825 68.868 0.011 0.000 1.046 109 T HN 0.218 nan 8.240 nan 0.000 0.591 110 D N 1.687 122.085 120.400 -0.003 0.000 2.264 110 D HA 0.171 4.811 4.640 0.000 0.000 0.208 110 D C 1.211 177.499 176.300 -0.020 0.000 0.966 110 D CA 0.691 54.686 54.000 -0.008 0.000 0.864 110 D CB -0.063 40.731 40.800 -0.010 0.000 0.933 110 D HN 0.713 nan 8.370 nan 0.000 0.499 111 A N -0.129 122.667 122.820 -0.041 0.000 2.637 111 A HA 0.559 4.879 4.320 0.000 0.000 0.258 111 A C -0.375 177.172 177.584 -0.060 0.000 1.250 111 A CA -0.618 51.379 52.037 -0.067 0.000 0.931 111 A CB 1.344 20.258 19.000 -0.144 0.000 1.488 111 A HN 0.086 nan 8.150 nan 0.000 0.464 112 N N -0.884 117.751 118.700 -0.108 0.000 2.324 112 N HA 0.517 5.257 4.740 0.000 0.000 0.285 112 N C -1.940 173.389 175.510 -0.302 0.000 1.076 112 N CA -0.404 52.561 53.050 -0.141 0.000 0.864 112 N CB 1.076 39.465 38.487 -0.164 0.000 1.632 112 N HN 0.332 nan 8.380 nan 0.000 0.478 113 F N 2.037 121.751 119.950 -0.392 0.000 2.378 113 F HA 0.520 5.047 4.527 0.000 0.000 0.325 113 F C -0.370 175.076 175.800 -0.590 0.000 1.097 113 F CA 0.135 57.938 58.000 -0.328 0.000 1.079 113 F CB 0.759 39.598 39.000 -0.269 0.000 1.240 113 F HN 0.374 nan 8.300 nan 0.000 0.519 114 Y N -0.729 119.599 120.300 0.047 0.000 2.588 114 Y HA 0.611 5.161 4.550 0.000 0.000 0.343 114 Y C -1.015 174.854 175.900 -0.051 0.000 1.065 114 Y CA -1.334 56.767 58.100 0.002 0.000 1.038 114 Y CB 1.747 40.205 38.460 -0.004 0.000 1.297 114 Y HN 0.123 nan 8.280 nan 0.000 0.467 115 V N 1.699 121.695 119.914 0.135 0.000 2.350 115 V HA 0.278 4.398 4.120 0.000 0.000 0.285 115 V C -0.884 175.285 176.094 0.125 0.000 1.014 115 V CA -0.734 61.608 62.300 0.070 0.000 0.831 115 V CB 0.926 32.813 31.823 0.106 0.000 1.000 115 V HN 0.873 nan 8.190 nan 0.000 0.433 116 c N 7.796 126.450 118.600 0.089 0.000 2.225 116 c HA 0.506 5.076 4.570 0.000 0.000 0.323 116 c C -1.608 172.523 174.090 0.067 0.000 1.164 116 c CA -1.100 55.272 56.329 0.073 0.000 1.565 116 c CB 0.154 42.692 42.510 0.045 0.000 2.124 116 c HN 0.672 nan 8.230 nan 0.000 0.461 117 P HA 0.335 nan 4.420 nan 0.000 0.277 117 P C -2.797 174.532 177.300 0.047 0.000 1.276 117 P CA -1.239 61.901 63.100 0.066 0.000 0.788 117 P CB -0.205 31.536 31.700 0.069 0.000 1.114 118 P HA 0.289 nan 4.420 nan 0.000 0.282 118 P C -2.429 174.886 177.300 0.025 0.000 1.262 118 P CA -1.283 61.835 63.100 0.031 0.000 0.773 118 P CB -0.769 30.948 31.700 0.029 0.000 0.879 119 P HA 0.134 nan 4.420 nan 0.000 0.282 119 P C 0.155 177.461 177.300 0.010 0.000 1.274 119 P CA -0.130 62.979 63.100 0.015 0.000 0.770 119 P CB 0.339 32.045 31.700 0.011 0.000 0.867 120 T N -0.838 113.721 114.554 0.009 0.000 2.810 120 T HA 0.324 4.674 4.350 0.000 0.000 0.277 120 T C 1.627 176.328 174.700 0.001 0.000 0.973 120 T CA -0.204 61.900 62.100 0.006 0.000 0.949 120 T CB 0.330 69.202 68.868 0.007 0.000 1.075 120 T HN 0.328 nan 8.240 nan 0.000 0.537 121 G N -0.717 108.083 108.800 -0.000 0.000 2.653 121 G HA2 0.164 4.124 3.960 0.000 0.000 0.212 121 G HA3 0.164 4.124 3.960 0.000 0.000 0.212 121 G C 1.480 176.378 174.900 -0.003 0.000 1.138 121 G CA 0.525 45.622 45.100 -0.004 0.000 0.782 121 G HN 1.025 nan 8.290 nan 0.000 0.535 122 A N 0.144 122.963 122.820 -0.000 0.000 1.851 122 A HA 0.056 4.377 4.320 0.000 0.000 0.216 122 A C 1.501 179.085 177.584 -0.001 0.000 1.195 122 A CA 1.674 53.711 52.037 0.000 0.000 0.622 122 A CB -0.443 18.559 19.000 0.003 0.000 0.831 122 A HN 0.284 nan 8.150 nan 0.000 0.444 123 T N 0.031 114.585 114.554 -0.001 0.000 2.786 123 T HA 0.544 4.894 4.350 0.000 0.000 0.283 123 T C -0.509 174.186 174.700 -0.008 0.000 0.992 123 T CA 0.078 62.177 62.100 -0.002 0.000 0.954 123 T CB 1.206 70.075 68.868 0.002 0.000 0.934 123 T HN 0.861 nan 8.240 nan 0.000 0.440 124 V N 1.034 120.940 119.914 -0.013 0.000 3.040 124 V HA 1.011 5.132 4.120 0.000 0.000 0.312 124 V C -0.397 175.680 176.094 -0.028 0.000 1.115 124 V CA -1.035 61.250 62.300 -0.025 0.000 0.998 124 V CB 1.649 33.455 31.823 -0.029 0.000 1.042 124 V HN 0.835 nan 8.190 nan 0.000 0.433 125 V N 0.260 120.145 119.914 -0.048 0.000 3.165 125 V HA 0.872 4.992 4.120 0.000 0.000 0.309 125 V C -1.073 174.962 176.094 -0.097 0.000 1.267 125 V CA -0.493 61.779 62.300 -0.046 0.000 1.067 125 V CB 1.613 33.427 31.823 -0.016 0.000 1.082 125 V HN 1.466 nan 8.190 nan 0.000 0.451 126 Q N -0.081 119.678 119.800 -0.069 0.000 2.456 126 Q HA 0.626 4.966 4.340 0.000 0.000 0.284 126 Q C -1.703 174.324 176.000 0.046 0.000 1.061 126 Q CA -0.801 54.941 55.803 -0.101 0.000 0.799 126 Q CB 2.615 31.329 28.738 -0.041 0.000 1.445 126 Q HN 0.691 nan 8.270 nan 0.000 0.411 127 F N 0.625 120.563 119.950 -0.020 0.000 2.371 127 F HA 0.219 4.746 4.527 0.000 0.000 0.329 127 F C 0.866 176.642 175.800 -0.039 0.000 1.107 127 F CA -0.879 57.097 58.000 -0.040 0.000 1.137 127 F CB 1.275 40.253 39.000 -0.037 0.000 1.214 127 F HN 0.654 nan 8.300 nan 0.000 0.536 128 E N 2.178 122.463 120.200 0.142 0.000 2.299 128 E HA 0.159 4.509 4.350 0.000 0.000 0.272 128 E C -0.082 176.545 176.600 0.044 0.000 1.043 128 E CA -0.459 55.971 56.400 0.051 0.000 0.895 128 E CB 0.909 30.604 29.700 -0.009 0.000 1.011 128 E HN 0.676 nan 8.360 nan 0.000 0.432 129 Q N 4.181 124.007 119.800 0.044 0.000 2.454 129 Q HA 0.196 4.536 4.340 0.000 0.000 0.247 129 Q C -2.283 173.727 176.000 0.017 0.000 1.028 129 Q CA -1.206 54.619 55.803 0.036 0.000 0.910 129 Q CB -0.852 27.905 28.738 0.031 0.000 1.276 129 Q HN 0.491 nan 8.270 nan 0.000 0.489 130 P HA 0.016 nan 4.420 nan 0.000 0.260 130 P C -0.459 176.847 177.300 0.010 0.000 1.172 130 P CA 0.283 63.389 63.100 0.010 0.000 0.760 130 P CB 0.373 32.084 31.700 0.018 0.000 0.773 131 R N 2.155 122.659 120.500 0.006 0.000 2.652 131 R HA 0.340 4.680 4.340 0.000 0.000 0.271 131 R C 0.573 176.882 176.300 0.015 0.000 1.129 131 R CA -0.589 55.517 56.100 0.011 0.000 1.200 131 R CB 0.274 30.582 30.300 0.014 0.000 1.146 131 R HN 0.265 nan 8.270 nan 0.000 0.581 132 R N 0.821 121.331 120.500 0.016 0.000 2.230 132 R HA 0.163 4.503 4.340 0.000 0.000 0.337 132 R C -1.170 175.142 176.300 0.021 0.000 1.063 132 R CA -0.171 55.938 56.100 0.016 0.000 0.935 132 R CB -0.108 30.200 30.300 0.013 0.000 1.121 132 R HN 0.534 nan 8.270 nan 0.000 0.486 133 c N 6.642 125.256 118.600 0.023 0.000 2.605 133 c HA 0.368 4.939 4.570 0.000 0.000 0.404 133 c C -1.475 172.628 174.090 0.023 0.000 1.284 133 c CA -0.880 55.466 56.329 0.029 0.000 2.199 133 c CB 0.330 42.858 42.510 0.030 0.000 2.647 133 c HN 0.733 nan 8.230 nan 0.000 0.604 134 P HA 0.238 nan 4.420 nan 0.000 0.272 134 P C -0.332 176.976 177.300 0.013 0.000 1.248 134 P CA 0.161 63.270 63.100 0.016 0.000 0.799 134 P CB 0.264 31.974 31.700 0.017 0.000 0.997 135 T N -2.982 111.577 114.554 0.008 0.000 2.906 135 T HA 0.494 4.844 4.350 0.000 0.000 0.295 135 T C -0.253 174.449 174.700 0.003 0.000 1.061 135 T CA -1.215 60.889 62.100 0.006 0.000 1.000 135 T CB 1.179 70.050 68.868 0.004 0.000 1.103 135 T HN 0.163 nan 8.240 nan 0.000 0.486 136 R N 2.130 122.632 120.500 0.002 0.000 2.458 136 R HA 0.259 4.599 4.340 0.000 0.000 0.303 136 R C -2.173 174.127 176.300 0.001 0.000 1.013 136 R CA -0.997 55.104 56.100 0.001 0.000 1.026 136 R CB -0.362 29.939 30.300 0.001 0.000 0.948 136 R HN 0.493 nan 8.270 nan 0.000 0.417 137 P HA -0.057 nan 4.420 nan 0.000 0.266 137 P C 0.500 177.800 177.300 -0.001 0.000 1.195 137 P CA -0.110 62.989 63.100 -0.001 0.000 0.768 137 P CB 0.624 32.325 31.700 0.002 0.000 0.838 138 E N 1.860 122.054 120.200 -0.009 0.000 2.110 138 E HA -0.203 4.147 4.350 0.000 0.000 0.225 138 E C 0.921 177.522 176.600 0.002 0.000 1.063 138 E CA 2.387 58.782 56.400 -0.009 0.000 0.906 138 E CB -0.868 28.817 29.700 -0.024 0.000 0.795 138 E HN 0.810 nan 8.360 nan 0.000 0.479 139 G N 1.127 109.926 108.800 -0.002 0.000 3.187 139 G HA2 -0.010 3.950 3.960 0.000 0.000 0.682 139 G HA3 -0.010 3.950 3.960 0.000 0.000 0.682 139 G C -0.799 174.106 174.900 0.009 0.000 1.266 139 G CA -0.094 45.023 45.100 0.028 0.000 0.902 139 G HN 0.192 nan 8.290 nan 0.000 0.589 140 Q N 1.026 120.834 119.800 0.014 0.000 2.364 140 Q HA 0.397 4.737 4.340 0.000 0.000 0.267 140 Q C 0.377 176.339 176.000 -0.064 0.000 0.999 140 Q CA -0.069 55.675 55.803 -0.098 0.000 0.886 140 Q CB 0.486 29.140 28.738 -0.140 0.000 1.243 140 Q HN 0.520 nan 8.270 nan 0.000 0.415 141 N N 3.141 121.764 118.700 -0.128 0.000 2.444 141 N HA 0.172 4.912 4.740 0.000 0.000 0.271 141 N C -1.416 174.012 175.510 -0.136 0.000 1.069 141 N CA 0.006 53.032 53.050 -0.040 0.000 0.965 141 N CB 0.451 38.928 38.487 -0.015 0.000 1.092 141 N HN 0.491 nan 8.380 nan 0.000 0.476 142 Y N 0.485 120.826 120.300 0.068 0.000 2.331 142 Y HA 0.226 4.776 4.550 0.000 0.000 0.338 142 Y C 0.782 176.742 175.900 0.101 0.000 0.976 142 Y CA -0.568 57.580 58.100 0.080 0.000 1.137 142 Y CB 1.091 39.601 38.460 0.082 0.000 1.172 142 Y HN 0.280 nan 8.280 nan 0.000 0.478 143 T N 3.919 118.603 114.554 0.218 0.000 2.884 143 T HA 0.186 4.536 4.350 0.000 0.000 0.298 143 T C -0.151 174.713 174.700 0.274 0.000 0.998 143 T CA -0.751 61.482 62.100 0.221 0.000 1.124 143 T CB 0.378 69.375 68.868 0.216 0.000 0.931 143 T HN 0.515 nan 8.240 nan 0.000 0.531 144 E N 0.825 121.155 120.200 0.217 0.000 2.277 144 E HA 0.615 4.965 4.350 0.000 0.000 0.274 144 E C 0.282 176.896 176.600 0.024 0.000 1.022 144 E CA -0.803 55.686 56.400 0.149 0.000 0.853 144 E CB 1.533 31.290 29.700 0.094 0.000 1.086 144 E HN 0.819 nan 8.360 nan 0.000 0.397 145 G N 1.344 110.104 108.800 -0.067 0.000 2.466 145 G HA2 0.395 4.355 3.960 0.000 0.000 0.291 145 G HA3 0.395 4.355 3.960 0.000 0.000 0.291 145 G C -1.254 173.448 174.900 -0.331 0.000 1.460 145 G CA -0.878 43.949 45.100 -0.454 0.000 0.791 145 G HN 0.376 nan 8.290 nan 0.000 0.505 146 I N 0.421 120.727 120.570 -0.439 0.000 2.577 146 I HA 0.707 4.877 4.170 0.000 0.000 0.305 146 I C 0.534 176.571 176.117 -0.132 0.000 0.986 146 I CA -0.746 60.457 61.300 -0.162 0.000 1.189 146 I CB 1.924 39.871 38.000 -0.089 0.000 1.355 146 I HN 0.778 nan 8.210 nan 0.000 0.476 147 A N 4.484 127.320 122.820 0.027 0.000 2.539 147 A HA 0.808 5.128 4.320 0.000 0.000 0.296 147 A C -1.391 176.195 177.584 0.004 0.000 1.073 147 A CA -0.478 51.605 52.037 0.076 0.000 0.700 147 A CB 1.967 21.076 19.000 0.181 0.000 1.296 147 A HN 0.376 nan 8.150 nan 0.000 0.405 148 V N 2.177 122.090 119.914 -0.000 0.000 2.398 148 V HA 0.313 4.433 4.120 0.000 0.000 0.282 148 V C -0.342 175.641 176.094 -0.186 0.000 1.014 148 V CA -0.546 61.686 62.300 -0.114 0.000 0.838 148 V CB 1.228 33.001 31.823 -0.083 0.000 1.018 148 V HN 0.711 nan 8.190 nan 0.000 0.432 149 V N 5.351 125.132 119.914 -0.222 0.000 2.555 149 V HA 0.406 4.526 4.120 0.000 0.000 0.286 149 V C -0.239 175.795 176.094 -0.100 0.000 1.044 149 V CA 0.115 62.352 62.300 -0.105 0.000 1.026 149 V CB 0.750 32.512 31.823 -0.100 0.000 0.981 149 V HN 0.599 nan 8.190 nan 0.000 0.480 150 F N 4.037 124.090 119.950 0.172 0.000 2.480 150 F HA 0.642 5.169 4.527 0.000 0.000 0.329 150 F C 0.388 176.257 175.800 0.115 0.000 1.091 150 F CA -0.707 57.384 58.000 0.153 0.000 0.972 150 F CB 1.781 40.821 39.000 0.066 0.000 1.150 150 F HN 0.486 nan 8.300 nan 0.000 0.467 151 K N 0.534 121.046 120.400 0.187 0.000 2.316 151 K HA 0.500 4.820 4.320 0.000 0.000 0.234 151 K C -0.768 175.776 176.600 -0.092 0.000 1.054 151 K CA -1.000 55.234 56.287 -0.088 0.000 0.879 151 K CB 1.547 33.868 32.500 -0.298 0.000 1.252 151 K HN 0.632 nan 8.250 nan 0.000 0.471 152 E N 1.039 121.122 120.200 -0.195 0.000 2.398 152 E HA -0.068 4.282 4.350 0.000 0.000 0.263 152 E C -0.796 175.747 176.600 -0.095 0.000 1.046 152 E CA -0.286 56.025 56.400 -0.147 0.000 0.908 152 E CB 0.635 30.227 29.700 -0.180 0.000 0.963 152 E HN 0.549 nan 8.360 nan 0.000 0.431 153 N N 4.447 123.113 118.700 -0.057 0.000 2.422 153 N HA 0.120 4.860 4.740 0.000 0.000 0.266 153 N C 0.434 175.939 175.510 -0.009 0.000 1.007 153 N CA -0.209 52.836 53.050 -0.007 0.000 0.941 153 N CB 0.709 39.223 38.487 0.045 0.000 1.115 153 N HN 0.625 nan 8.380 nan 0.000 0.492 154 I N 0.714 121.283 120.570 -0.002 0.000 4.154 154 I HA 0.435 4.605 4.170 0.000 0.000 0.334 154 I C 0.234 176.373 176.117 0.036 0.000 1.371 154 I CA -0.467 60.832 61.300 -0.000 0.000 1.110 154 I CB 0.558 38.540 38.000 -0.030 0.000 1.085 154 I HN 0.225 nan 8.210 nan 0.000 0.398 155 A N 2.877 125.735 122.820 0.063 0.000 2.366 155 A HA 0.689 5.009 4.320 0.000 0.000 0.272 155 A C -2.400 175.276 177.584 0.154 0.000 1.135 155 A CA -1.100 50.988 52.037 0.085 0.000 0.804 155 A CB -0.418 18.629 19.000 0.077 0.000 1.064 155 A HN 0.163 nan 8.150 nan 0.000 0.499 156 P HA 0.153 nan 4.420 nan 0.000 0.274 156 P C -0.826 176.657 177.300 0.305 0.000 1.246 156 P CA -0.113 63.131 63.100 0.241 0.000 0.795 156 P CB 0.246 32.037 31.700 0.151 0.000 1.006 157 Y N 1.704 122.199 120.300 0.325 0.000 2.480 157 Y HA 0.202 4.752 4.550 0.000 0.000 0.341 157 Y C 0.035 176.080 175.900 0.242 0.000 1.031 157 Y CA 0.137 58.373 58.100 0.226 0.000 1.295 157 Y CB 0.183 38.730 38.460 0.145 0.000 1.162 157 Y HN 0.157 nan 8.280 nan 0.000 0.523 158 K N 7.632 127.851 120.400 -0.302 0.000 2.164 158 K HA 0.600 4.920 4.320 0.000 0.000 0.258 158 K C -1.540 174.858 176.600 -0.337 0.000 0.951 158 K CA -0.681 55.459 56.287 -0.245 0.000 0.844 158 K CB 1.566 33.974 32.500 -0.153 0.000 1.099 158 K HN 0.658 nan 8.250 nan 0.000 0.435 159 F N -1.602 118.051 119.950 -0.495 0.000 2.688 159 F HA 0.456 4.983 4.527 0.000 0.000 0.308 159 F C -1.272 174.394 175.800 -0.224 0.000 1.117 159 F CA -1.518 56.251 58.000 -0.384 0.000 0.976 159 F CB 0.974 39.700 39.000 -0.457 0.000 1.291 159 F HN 0.082 nan 8.300 nan 0.000 0.439 160 K N 1.985 122.324 120.400 -0.103 0.000 2.218 160 K HA 0.818 5.138 4.320 0.000 0.000 0.276 160 K C -0.540 176.039 176.600 -0.035 0.000 1.022 160 K CA -0.155 56.060 56.287 -0.119 0.000 0.946 160 K CB 1.625 34.116 32.500 -0.014 0.000 1.000 160 K HN 0.901 nan 8.250 nan 0.000 0.468 161 A N 1.597 124.366 122.820 -0.085 0.000 2.566 161 A HA 0.742 5.062 4.320 0.000 0.000 0.292 161 A C -1.027 176.593 177.584 0.059 0.000 1.112 161 A CA -0.726 51.345 52.037 0.057 0.000 0.707 161 A CB 1.669 20.648 19.000 -0.034 0.000 1.302 161 A HN 0.560 nan 8.150 nan 0.000 0.409 162 T N 1.419 116.055 114.554 0.137 0.000 2.887 162 T HA 0.659 5.009 4.350 0.000 0.000 0.288 162 T C -0.401 174.278 174.700 -0.035 0.000 1.021 162 T CA -0.230 61.873 62.100 0.004 0.000 1.000 162 T CB 1.139 69.994 68.868 -0.022 0.000 1.034 162 T HN 0.568 nan 8.240 nan 0.000 0.467 163 M N 2.451 121.920 119.600 -0.218 0.000 2.456 163 M HA 0.516 4.997 4.480 0.000 0.000 0.324 163 M C -1.633 174.479 176.300 -0.314 0.000 1.124 163 M CA -0.799 54.468 55.300 -0.055 0.000 0.959 163 M CB 1.950 34.595 32.600 0.076 0.000 1.692 163 M HN 0.602 nan 8.290 nan 0.000 0.444 164 Y N 2.610 123.061 120.300 0.252 0.000 2.488 164 Y HA 0.483 5.033 4.550 0.000 0.000 0.330 164 Y C -0.939 175.092 175.900 0.219 0.000 1.013 164 Y CA -1.112 57.068 58.100 0.134 0.000 1.304 164 Y CB 0.480 38.999 38.460 0.099 0.000 1.098 164 Y HN 0.582 nan 8.280 nan 0.000 0.498 165 Y N -0.847 119.560 120.300 0.179 0.000 2.669 165 Y HA 0.887 5.437 4.550 0.000 0.000 0.335 165 Y C -1.269 174.675 175.900 0.072 0.000 1.116 165 Y CA -1.979 56.197 58.100 0.126 0.000 1.081 165 Y CB 1.779 40.310 38.460 0.117 0.000 1.297 165 Y HN 0.156 nan 8.280 nan 0.000 0.484 166 K N 0.607 121.125 120.400 0.197 0.000 2.422 166 K HA 0.322 4.642 4.320 0.000 0.000 0.251 166 K C -1.963 174.716 176.600 0.132 0.000 0.933 166 K CA -1.012 55.330 56.287 0.091 0.000 0.798 166 K CB 2.089 34.625 32.500 0.060 0.000 1.238 166 K HN 0.576 nan 8.250 nan 0.000 0.428 167 D N 2.107 122.570 120.400 0.106 0.000 2.456 167 D HA 0.169 4.809 4.640 0.000 0.000 0.219 167 D C -0.804 175.552 176.300 0.092 0.000 1.126 167 D CA -0.237 53.819 54.000 0.095 0.000 0.890 167 D CB 1.173 42.024 40.800 0.086 0.000 1.025 167 D HN 0.067 nan 8.370 nan 0.000 0.511 168 V N 2.852 122.816 119.914 0.084 0.000 2.383 168 V HA 0.414 4.534 4.120 0.000 0.000 0.275 168 V C 0.436 176.609 176.094 0.133 0.000 1.036 168 V CA -0.246 62.142 62.300 0.146 0.000 0.889 168 V CB 1.465 33.415 31.823 0.213 0.000 0.985 168 V HN 0.409 nan 8.190 nan 0.000 0.459 169 T N 4.367 119.030 114.554 0.183 0.000 2.881 169 T HA 0.461 4.811 4.350 0.000 0.000 0.291 169 T C -0.468 174.389 174.700 0.262 0.000 0.990 169 T CA -0.405 61.802 62.100 0.178 0.000 0.976 169 T CB 1.624 70.562 68.868 0.118 0.000 0.970 169 T HN 0.288 nan 8.240 nan 0.000 0.438 170 V N 4.018 124.134 119.914 0.336 0.000 2.293 170 V HA 0.441 4.561 4.120 0.000 0.000 0.275 170 V C 0.536 176.823 176.094 0.322 0.000 1.021 170 V CA -0.828 61.685 62.300 0.356 0.000 0.815 170 V CB 0.753 32.811 31.823 0.392 0.000 1.025 170 V HN 1.031 nan 8.190 nan 0.000 0.448 171 S N 3.589 119.446 115.700 0.261 0.000 2.585 171 S HA 0.759 5.229 4.470 0.000 0.000 0.277 171 S C -0.093 174.590 174.600 0.138 0.000 1.241 171 S CA -0.277 58.056 58.200 0.222 0.000 1.041 171 S CB 1.655 65.021 63.200 0.276 0.000 0.987 171 S HN 1.039 nan 8.310 nan 0.000 0.512 172 Q N 1.510 121.352 119.800 0.069 0.000 2.363 172 Q HA 0.640 4.980 4.340 0.000 0.000 0.265 172 Q C -0.783 175.183 176.000 -0.058 0.000 1.032 172 Q CA -1.005 54.717 55.803 -0.134 0.000 0.746 172 Q CB 1.000 29.568 28.738 -0.284 0.000 1.237 172 Q HN 0.877 nan 8.270 nan 0.000 0.475 173 V N 0.619 120.438 119.914 -0.158 0.000 2.713 173 V HA 0.723 4.843 4.120 0.000 0.000 0.307 173 V C -0.633 175.176 176.094 -0.475 0.000 1.052 173 V CA -0.995 61.065 62.300 -0.401 0.000 0.967 173 V CB 1.679 33.093 31.823 -0.681 0.000 1.019 173 V HN 0.929 nan 8.190 nan 0.000 0.459 174 W N 3.790 124.676 121.300 -0.691 0.000 2.475 174 W HA 0.657 5.317 4.660 0.000 0.000 0.320 174 W C -1.127 175.053 176.519 -0.565 0.000 1.022 174 W CA -1.141 55.904 57.345 -0.499 0.000 1.240 174 W CB 1.428 30.750 29.460 -0.229 0.000 1.328 174 W HN 0.442 nan 8.180 nan 0.000 0.439 175 F N 5.518 125.153 119.950 -0.525 0.000 2.384 175 F HA 0.430 4.957 4.527 0.000 0.000 0.359 175 F C 1.078 176.433 175.800 -0.742 0.000 1.143 175 F CA -0.741 56.978 58.000 -0.467 0.000 1.216 175 F CB 0.510 39.310 39.000 -0.333 0.000 1.512 175 F HN 0.453 nan 8.300 nan 0.000 0.573 176 G N 0.191 108.641 108.800 -0.583 0.000 2.428 176 G HA2 0.464 4.424 3.960 0.000 0.000 0.320 176 G HA3 0.464 4.424 3.960 0.000 0.000 0.320 176 G C 0.231 175.046 174.900 -0.142 0.000 1.098 176 G CA 0.685 45.413 45.100 -0.620 0.000 0.984 176 G HN 1.102 nan 8.290 nan 0.000 0.444 177 H N 1.811 120.801 119.070 -0.133 0.000 1.472 177 H HA -0.343 4.213 4.556 0.000 0.000 0.090 177 H C 1.893 177.204 175.328 -0.028 0.000 0.607 177 H CA 2.142 58.163 56.048 -0.046 0.000 1.899 177 H CB -1.148 28.619 29.762 0.009 0.000 2.254 177 H HN 0.694 nan 8.280 nan 0.000 0.961 178 R N 1.779 122.279 120.500 -0.000 0.000 2.437 178 R HA 0.479 4.819 4.340 0.000 0.000 0.257 178 R C 0.561 176.868 176.300 0.012 0.000 0.927 178 R CA 0.806 56.908 56.100 0.004 0.000 1.078 178 R CB 0.938 31.245 30.300 0.012 0.000 1.161 178 R HN 1.029 nan 8.270 nan 0.000 0.529 179 S N -1.351 114.361 115.700 0.020 0.000 2.776 179 S HA 0.651 5.121 4.470 0.000 0.000 0.292 179 S C -0.759 173.857 174.600 0.026 0.000 1.187 179 S CA -0.819 57.398 58.200 0.028 0.000 0.834 179 S CB 2.306 65.530 63.200 0.040 0.000 1.199 179 S HN -0.104 nan 8.310 nan 0.000 0.514 180 S N 0.388 116.083 115.700 -0.008 0.000 2.572 180 S HA 0.596 5.066 4.470 0.000 0.000 0.274 180 S C -1.571 172.920 174.600 -0.182 0.000 1.150 180 S CA -0.669 57.464 58.200 -0.112 0.000 0.944 180 S CB 1.694 64.841 63.200 -0.087 0.000 1.071 180 S HN 0.758 nan 8.310 nan 0.000 0.479 181 Q N 1.768 121.455 119.800 -0.189 0.000 2.394 181 Q HA 0.590 4.930 4.340 0.000 0.000 0.273 181 Q C -1.607 174.242 176.000 -0.251 0.000 1.089 181 Q CA -0.791 54.912 55.803 -0.166 0.000 0.812 181 Q CB 1.110 29.847 28.738 -0.002 0.000 1.353 181 Q HN 0.552 nan 8.270 nan 0.000 0.438 182 F N 3.042 122.963 119.950 -0.048 0.000 2.467 182 F HA 0.102 4.629 4.527 0.000 0.000 0.362 182 F C 1.250 177.014 175.800 -0.060 0.000 1.090 182 F CA -0.132 57.834 58.000 -0.057 0.000 1.202 182 F CB 0.687 39.667 39.000 -0.034 0.000 1.113 182 F HN 0.579 nan 8.300 nan 0.000 0.541 183 M N 1.893 121.551 119.600 0.095 0.000 2.357 183 M HA 0.252 4.732 4.480 0.000 0.000 0.266 183 M C 0.882 177.192 176.300 0.018 0.000 1.095 183 M CA 0.501 55.798 55.300 -0.004 0.000 1.156 183 M CB -0.511 32.032 32.600 -0.095 0.000 1.365 183 M HN 0.605 nan 8.290 nan 0.000 0.447 184 G N 0.307 109.145 108.800 0.063 0.000 2.732 184 G HA2 0.642 4.602 3.960 0.000 0.000 0.296 184 G HA3 0.642 4.602 3.960 0.000 0.000 0.296 184 G C -1.611 173.350 174.900 0.102 0.000 1.448 184 G CA -0.556 44.586 45.100 0.069 0.000 0.911 184 G HN 0.119 nan 8.290 nan 0.000 0.528 185 I N 0.784 121.402 120.570 0.080 0.000 2.582 185 I HA 0.484 4.654 4.170 0.000 0.000 0.292 185 I C -1.483 174.737 176.117 0.170 0.000 1.066 185 I CA -0.828 60.519 61.300 0.078 0.000 1.053 185 I CB 2.579 40.523 38.000 -0.093 0.000 1.241 185 I HN 0.446 nan 8.210 nan 0.000 0.421 186 F N 5.700 125.681 119.950 0.052 0.000 2.445 186 F HA 0.469 4.996 4.527 0.000 0.000 0.348 186 F C -0.583 175.259 175.800 0.068 0.000 1.125 186 F CA -0.239 57.800 58.000 0.067 0.000 0.983 186 F CB 1.068 40.129 39.000 0.101 0.000 1.198 186 F HN 0.380 nan 8.300 nan 0.000 0.436 187 E N 4.881 124.778 120.200 -0.506 0.000 2.155 187 E HA 0.242 4.592 4.350 0.000 0.000 0.264 187 E C -1.537 174.731 176.600 -0.554 0.000 0.886 187 E CA -0.778 55.380 56.400 -0.403 0.000 0.752 187 E CB 1.814 31.400 29.700 -0.189 0.000 1.133 187 E HN 0.474 nan 8.360 nan 0.000 0.414 188 D N 1.951 122.084 120.400 -0.446 0.000 2.527 188 D HA 0.296 4.936 4.640 0.000 0.000 0.233 188 D C -0.896 175.316 176.300 -0.146 0.000 1.063 188 D CA -0.739 53.090 54.000 -0.286 0.000 0.880 188 D CB 1.423 42.109 40.800 -0.190 0.000 1.457 188 D HN 0.272 nan 8.370 nan 0.000 0.475 189 R N 1.006 121.428 120.500 -0.130 0.000 2.294 189 R HA 0.692 5.032 4.340 0.000 0.000 0.319 189 R C -0.431 175.734 176.300 -0.226 0.000 0.984 189 R CA -0.815 55.226 56.100 -0.098 0.000 0.861 189 R CB 1.618 31.866 30.300 -0.088 0.000 1.104 189 R HN 0.312 nan 8.270 nan 0.000 0.451 190 A N 4.923 127.580 122.820 -0.272 0.000 2.312 190 A HA 0.586 4.906 4.320 0.000 0.000 0.326 190 A C -2.367 175.148 177.584 -0.115 0.000 1.172 190 A CA -2.010 49.699 52.037 -0.547 0.000 0.821 190 A CB 0.814 19.400 19.000 -0.690 0.000 1.166 190 A HN 0.379 nan 8.150 nan 0.000 0.493 191 P HA 0.288 nan 4.420 nan 0.000 0.287 191 P C -0.569 176.798 177.300 0.112 0.000 1.281 191 P CA -0.225 62.926 63.100 0.084 0.000 0.781 191 P CB 1.074 32.799 31.700 0.042 0.000 0.903 192 V N 7.013 127.026 119.914 0.165 0.000 2.479 192 V HA 0.110 4.230 4.120 0.000 0.000 0.281 192 V C -1.798 174.350 176.094 0.091 0.000 1.031 192 V CA -1.356 61.020 62.300 0.126 0.000 1.038 192 V CB -0.042 31.872 31.823 0.151 0.000 0.981 192 V HN 0.544 nan 8.190 nan 0.000 0.478 193 P HA -0.061 nan 4.420 nan 0.000 0.267 193 P C 0.628 177.964 177.300 0.060 0.000 1.195 193 P CA 0.093 63.246 63.100 0.088 0.000 0.773 193 P CB 0.397 32.145 31.700 0.080 0.000 0.837 194 F N 3.761 123.687 119.950 -0.040 0.000 2.043 194 F HA -0.313 4.214 4.527 0.000 0.000 0.297 194 F C 2.002 177.757 175.800 -0.075 0.000 1.121 194 F CA 2.297 60.248 58.000 -0.081 0.000 1.199 194 F CB -0.702 38.252 39.000 -0.077 0.000 0.968 194 F HN 0.394 nan 8.300 nan 0.000 0.478 195 E N 0.411 120.556 120.200 -0.091 0.000 2.118 195 E HA -0.276 4.074 4.350 0.000 0.000 0.195 195 E C 2.004 178.471 176.600 -0.221 0.000 0.992 195 E CA 1.815 58.084 56.400 -0.218 0.000 0.804 195 E CB -1.029 28.705 29.700 0.057 0.000 0.741 195 E HN 0.754 nan 8.360 nan 0.000 0.458 196 E N 0.668 120.790 120.200 -0.131 0.000 2.028 196 E HA -0.162 4.188 4.350 0.000 0.000 0.191 196 E C 2.071 178.568 176.600 -0.172 0.000 0.988 196 E CA 1.512 57.850 56.400 -0.103 0.000 0.799 196 E CB -0.003 29.675 29.700 -0.036 0.000 0.755 196 E HN 0.211 nan 8.360 nan 0.000 0.447 197 V N 1.675 121.433 119.914 -0.261 0.000 2.380 197 V HA -0.296 3.824 4.120 0.000 0.000 0.251 197 V C 2.363 178.264 176.094 -0.321 0.000 1.063 197 V CA 1.342 63.406 62.300 -0.393 0.000 1.055 197 V CB -0.409 31.012 31.823 -0.670 0.000 0.657 197 V HN 0.391 nan 8.190 nan 0.000 0.455 198 I N -0.088 120.254 120.570 -0.380 0.000 2.206 198 I HA -0.097 4.073 4.170 0.000 0.000 0.239 198 I C 2.157 178.171 176.117 -0.172 0.000 1.078 198 I CA 1.611 62.741 61.300 -0.283 0.000 1.367 198 I CB -1.138 36.568 38.000 -0.490 0.000 1.078 198 I HN 0.336 nan 8.210 nan 0.000 0.413 199 D N 0.421 120.720 120.400 -0.169 0.000 2.249 199 D HA -0.064 4.576 4.640 0.000 0.000 0.205 199 D C 2.087 178.337 176.300 -0.083 0.000 0.962 199 D CA 0.755 54.692 54.000 -0.105 0.000 0.860 199 D CB 0.340 41.091 40.800 -0.081 0.000 0.955 199 D HN 0.267 nan 8.370 nan 0.000 0.505 200 K N 0.292 120.640 120.400 -0.086 0.000 2.218 200 K HA 0.215 4.535 4.320 0.000 0.000 0.214 200 K C 2.356 178.918 176.600 -0.064 0.000 1.033 200 K CA 0.050 56.300 56.287 -0.062 0.000 0.949 200 K CB -0.308 32.164 32.500 -0.046 0.000 0.993 200 K HN 0.106 nan 8.250 nan 0.000 0.464 201 I N 1.687 122.215 120.570 -0.069 0.000 2.233 201 I HA -0.223 3.948 4.170 0.000 0.000 0.243 201 I C 2.227 178.305 176.117 -0.065 0.000 1.093 201 I CA 1.241 62.507 61.300 -0.056 0.000 1.380 201 I CB -0.322 37.676 38.000 -0.003 0.000 1.067 201 I HN 0.195 nan 8.210 nan 0.000 0.413 202 N N 0.839 119.507 118.700 -0.054 0.000 2.188 202 N HA -0.105 4.635 4.740 0.000 0.000 0.184 202 N C 1.742 177.199 175.510 -0.088 0.000 1.018 202 N CA 1.448 54.473 53.050 -0.041 0.000 0.858 202 N CB 0.027 38.526 38.487 0.019 0.000 0.989 202 N HN 0.317 nan 8.380 nan 0.000 0.426 203 A N 0.080 122.845 122.820 -0.091 0.000 1.861 203 A HA 0.051 4.371 4.320 0.000 0.000 0.212 203 A C 1.897 179.434 177.584 -0.078 0.000 1.199 203 A CA 1.168 53.150 52.037 -0.092 0.000 0.613 203 A CB -0.072 18.877 19.000 -0.085 0.000 0.846 203 A HN 0.291 nan 8.150 nan 0.000 0.446 204 K N -2.532 117.826 120.400 -0.069 0.000 2.399 204 K HA 0.313 4.633 4.320 0.000 0.000 0.196 204 K C 0.801 177.363 176.600 -0.064 0.000 1.117 204 K CA 0.508 56.759 56.287 -0.059 0.000 0.965 204 K CB 0.580 33.052 32.500 -0.046 0.000 0.983 204 K HN 0.662 nan 8.250 nan 0.000 0.531 205 G N 2.285 111.039 108.800 -0.077 0.000 2.149 205 G HA2 -0.219 3.741 3.960 0.000 0.000 0.235 205 G HA3 -0.219 3.741 3.960 0.000 0.000 0.235 205 G C 0.042 174.899 174.900 -0.072 0.000 1.018 205 G CA 0.287 45.329 45.100 -0.098 0.000 0.728 205 G HN 0.239 nan 8.290 nan 0.000 0.508 206 V N -3.768 116.116 119.914 -0.050 0.000 3.182 206 V HA 0.939 5.059 4.120 0.000 0.000 0.311 206 V C 0.315 176.398 176.094 -0.018 0.000 1.221 206 V CA -0.863 61.420 62.300 -0.030 0.000 1.060 206 V CB 2.023 33.834 31.823 -0.020 0.000 1.164 206 V HN 1.467 nan 8.190 nan 0.000 0.466 207 c N 1.162 119.759 118.600 -0.004 0.000 2.931 207 c HA 0.595 5.165 4.570 0.000 0.000 0.370 207 c C 0.021 174.124 174.090 0.022 0.000 1.071 207 c CA -0.596 55.739 56.329 0.009 0.000 1.266 207 c CB 1.262 43.780 42.510 0.014 0.000 1.691 207 c HN 1.147 nan 8.230 nan 0.000 0.511 208 R N 2.918 123.439 120.500 0.035 0.000 2.638 208 R HA 0.151 4.491 4.340 0.000 0.000 0.268 208 R C 1.418 177.759 176.300 0.069 0.000 1.006 208 R CA 0.828 56.964 56.100 0.059 0.000 1.088 208 R CB 0.476 30.817 30.300 0.068 0.000 0.950 208 R HN 0.917 nan 8.270 nan 0.000 0.419 209 S N -0.244 115.516 115.700 0.101 0.000 2.660 209 S HA -0.052 4.418 4.470 0.000 0.000 0.223 209 S C 0.694 175.395 174.600 0.169 0.000 0.963 209 S CA 0.199 58.475 58.200 0.127 0.000 0.932 209 S CB -0.290 63.018 63.200 0.179 0.000 0.775 209 S HN 0.720 nan 8.310 nan 0.000 0.531 210 T N -1.738 112.892 114.554 0.127 0.000 2.942 210 T HA 0.814 5.164 4.350 0.000 0.000 0.289 210 T C -0.690 174.038 174.700 0.048 0.000 1.044 210 T CA -0.628 61.508 62.100 0.059 0.000 1.023 210 T CB 1.856 70.732 68.868 0.013 0.000 1.123 210 T HN 0.493 nan 8.240 nan 0.000 0.512 211 A N 1.601 124.436 122.820 0.024 0.000 2.457 211 A HA 0.658 4.978 4.320 0.000 0.000 0.283 211 A C -0.400 177.296 177.584 0.185 0.000 1.166 211 A CA -0.848 51.278 52.037 0.149 0.000 0.740 211 A CB 0.760 19.892 19.000 0.220 0.000 1.181 211 A HN 0.881 nan 8.150 nan 0.000 0.446 212 K N 2.752 123.253 120.400 0.168 0.000 2.307 212 K HA 0.687 5.007 4.320 0.000 0.000 0.263 212 K C -1.491 175.238 176.600 0.216 0.000 0.973 212 K CA -0.494 55.842 56.287 0.082 0.000 0.846 212 K CB 0.852 33.362 32.500 0.016 0.000 1.100 212 K HN 0.810 nan 8.250 nan 0.000 0.438 213 Y N -0.840 119.472 120.300 0.021 0.000 2.641 213 Y HA 0.372 4.922 4.550 0.000 0.000 0.333 213 Y C -1.419 174.504 175.900 0.038 0.000 1.174 213 Y CA -1.461 56.661 58.100 0.038 0.000 1.057 213 Y CB 0.784 39.275 38.460 0.053 0.000 1.322 213 Y HN 0.006 nan 8.280 nan 0.000 0.457 214 V N 3.528 123.529 119.914 0.144 0.000 2.356 214 V HA 0.414 4.534 4.120 0.000 0.000 0.258 214 V C -0.185 175.993 176.094 0.139 0.000 1.065 214 V CA 0.041 62.382 62.300 0.067 0.000 0.935 214 V CB -0.010 31.856 31.823 0.072 0.000 1.061 214 V HN 0.661 nan 8.190 nan 0.000 0.484 215 R N 4.868 125.405 120.500 0.062 0.000 2.437 215 R HA 0.449 4.789 4.340 0.000 0.000 0.310 215 R C 0.195 176.540 176.300 0.075 0.000 0.955 215 R CA -0.412 55.776 56.100 0.146 0.000 0.851 215 R CB 0.328 30.780 30.300 0.255 0.000 1.161 215 R HN 0.611 nan 8.270 nan 0.000 0.446 216 N N 4.054 122.805 118.700 0.084 0.000 2.725 216 N HA -0.237 4.503 4.740 0.000 0.000 0.251 216 N C -1.076 174.451 175.510 0.028 0.000 1.031 216 N CA 1.332 54.415 53.050 0.055 0.000 0.720 216 N CB -1.142 37.380 38.487 0.059 0.000 0.930 216 N HN 0.852 nan 8.380 nan 0.000 0.543 217 N N -1.811 116.905 118.700 0.027 0.000 2.740 217 N HA -0.226 4.514 4.740 0.000 0.000 0.248 217 N C -0.554 174.955 175.510 -0.001 0.000 1.062 217 N CA 1.299 54.357 53.050 0.014 0.000 0.704 217 N CB -1.059 37.435 38.487 0.012 0.000 0.968 217 N HN 0.745 nan 8.380 nan 0.000 0.547 218 L N -0.753 120.462 121.223 -0.013 0.000 2.565 218 L HA 0.287 4.627 4.340 0.000 0.000 0.261 218 L C -0.418 176.410 176.870 -0.071 0.000 0.932 218 L CA -0.589 54.229 54.840 -0.037 0.000 0.878 218 L CB 1.856 43.889 42.059 -0.043 0.000 1.333 218 L HN 0.042 nan 8.230 nan 0.000 0.409 219 E N 2.977 123.134 120.200 -0.071 0.000 1.814 219 E HA 0.108 4.458 4.350 0.000 0.000 0.264 219 E C -0.627 175.875 176.600 -0.163 0.000 1.179 219 E CA -0.110 56.228 56.400 -0.103 0.000 0.972 219 E CB 0.628 30.296 29.700 -0.054 0.000 1.077 219 E HN 0.552 nan 8.360 nan 0.000 0.417 220 T N 2.596 116.974 114.554 -0.293 0.000 2.897 220 T HA 0.247 4.597 4.350 0.000 0.000 0.294 220 T C -0.409 174.068 174.700 -0.372 0.000 1.004 220 T CA -0.115 61.787 62.100 -0.330 0.000 1.106 220 T CB 0.945 69.582 68.868 -0.386 0.000 0.949 220 T HN 0.295 nan 8.240 nan 0.000 0.520 221 T N 3.291 117.698 114.554 -0.245 0.000 2.886 221 T HA 0.748 5.098 4.350 0.000 0.000 0.292 221 T C -1.011 173.501 174.700 -0.313 0.000 1.012 221 T CA -0.701 61.234 62.100 -0.275 0.000 0.982 221 T CB 1.621 70.318 68.868 -0.286 0.000 1.018 221 T HN 0.815 nan 8.240 nan 0.000 0.451 222 A N 2.419 125.029 122.820 -0.350 0.000 2.422 222 A HA 0.854 5.174 4.320 0.000 0.000 0.302 222 A C -1.472 175.890 177.584 -0.371 0.000 1.041 222 A CA -0.783 51.107 52.037 -0.245 0.000 0.708 222 A CB 0.885 19.920 19.000 0.059 0.000 1.257 222 A HN 0.697 nan 8.150 nan 0.000 0.414 223 F N 0.968 120.985 119.950 0.112 0.000 2.458 223 F HA 0.425 4.952 4.527 0.000 0.000 0.336 223 F C 0.623 176.493 175.800 0.117 0.000 1.114 223 F CA -0.484 57.576 58.000 0.100 0.000 0.987 223 F CB 1.341 40.363 39.000 0.036 0.000 1.130 223 F HN 0.768 nan 8.300 nan 0.000 0.458 224 H N 3.996 123.184 119.070 0.196 0.000 3.001 224 H HA 0.158 4.714 4.556 0.000 0.000 0.334 224 H C 0.907 176.240 175.328 0.008 0.000 1.034 224 H CA 0.416 56.532 56.048 0.113 0.000 1.420 224 H CB 0.477 30.294 29.762 0.091 0.000 1.405 224 H HN 0.609 nan 8.280 nan 0.000 0.593 225 R N 2.703 122.805 120.500 -0.663 0.000 4.023 225 R HA -0.257 4.083 4.340 0.000 0.000 0.368 225 R C -0.311 175.644 176.300 -0.574 0.000 1.187 225 R CA 1.121 56.585 56.100 -1.061 0.000 1.089 225 R CB -1.700 27.992 30.300 -1.013 0.000 1.574 225 R HN 1.004 nan 8.270 nan 0.000 0.564 226 D N -0.893 119.428 120.400 -0.130 0.000 3.076 226 D HA -0.158 4.482 4.640 0.000 0.000 0.218 226 D C 0.303 176.514 176.300 -0.147 0.000 1.156 226 D CA 1.692 55.692 54.000 0.000 0.000 0.921 226 D CB -0.582 40.254 40.800 0.061 0.000 1.113 226 D HN 0.414 nan 8.370 nan 0.000 0.418 227 D N -0.780 119.525 120.400 -0.158 0.000 2.425 227 D HA 0.194 4.834 4.640 0.000 0.000 0.274 227 D C 0.689 176.815 176.300 -0.291 0.000 1.242 227 D CA -0.101 53.776 54.000 -0.205 0.000 1.060 227 D CB 0.397 41.146 40.800 -0.086 0.000 1.112 227 D HN 0.163 nan 8.370 nan 0.000 0.561 228 H N -0.170 118.834 119.070 -0.110 0.000 2.546 228 H HA 0.136 4.692 4.556 0.000 0.000 0.365 228 H C 0.221 175.573 175.328 0.041 0.000 1.220 228 H CA -0.199 55.783 56.048 -0.110 0.000 1.386 228 H CB 0.606 30.323 29.762 -0.077 0.000 1.510 228 H HN 0.219 nan 8.280 nan 0.000 0.591 229 E N 0.608 120.956 120.200 0.246 0.000 2.415 229 E HA 0.079 4.429 4.350 0.000 0.000 0.262 229 E C -0.813 175.886 176.600 0.165 0.000 1.038 229 E CA 0.283 56.834 56.400 0.251 0.000 0.921 229 E CB 0.441 30.291 29.700 0.249 0.000 0.950 229 E HN 0.549 nan 8.360 nan 0.000 0.438 230 T N 3.785 118.423 114.554 0.140 0.000 3.012 230 T HA 0.124 4.474 4.350 0.000 0.000 0.330 230 T C -1.776 172.967 174.700 0.073 0.000 1.321 230 T CA -0.869 61.288 62.100 0.096 0.000 1.067 230 T CB 1.189 70.115 68.868 0.097 0.000 1.235 230 T HN 0.389 nan 8.240 nan 0.000 0.479 231 D N 2.967 123.395 120.400 0.048 0.000 2.339 231 D HA 0.358 4.998 4.640 0.000 0.000 0.256 231 D C -0.108 176.205 176.300 0.023 0.000 1.214 231 D CA 0.371 54.389 54.000 0.030 0.000 0.877 231 D CB 0.431 41.241 40.800 0.016 0.000 1.111 231 D HN 0.329 nan 8.370 nan 0.000 0.478 232 M N 1.408 121.017 119.600 0.016 0.000 2.294 232 M HA 0.249 4.729 4.480 0.000 0.000 0.335 232 M C 0.293 176.588 176.300 -0.009 0.000 1.079 232 M CA -0.787 54.515 55.300 0.003 0.000 0.982 232 M CB 2.149 34.743 32.600 -0.011 0.000 1.651 232 M HN 0.181 nan 8.290 nan 0.000 0.437 233 E N 2.698 122.891 120.200 -0.012 0.000 2.354 233 E HA 0.317 4.667 4.350 0.000 0.000 0.269 233 E C -1.289 175.297 176.600 -0.024 0.000 1.036 233 E CA -0.438 55.952 56.400 -0.018 0.000 0.876 233 E CB 0.901 30.593 29.700 -0.014 0.000 1.009 233 E HN 0.589 nan 8.360 nan 0.000 0.416 234 L N 5.578 126.788 121.223 -0.020 0.000 2.315 234 L HA 0.211 4.551 4.340 0.000 0.000 0.283 234 L C 0.130 177.042 176.870 0.070 0.000 1.089 234 L CA -0.156 54.691 54.840 0.011 0.000 0.833 234 L CB 0.201 42.251 42.059 -0.015 0.000 1.170 234 L HN 0.453 nan 8.230 nan 0.000 0.442 235 K N 3.580 123.975 120.400 -0.010 0.000 2.123 235 K HA 0.647 4.967 4.320 0.000 0.000 0.259 235 K C -2.764 173.819 176.600 -0.029 0.000 0.960 235 K CA -2.249 54.024 56.287 -0.023 0.000 0.872 235 K CB 1.054 33.461 32.500 -0.154 0.000 1.079 235 K HN 0.087 nan 8.250 nan 0.000 0.440 236 P HA -0.097 nan 4.420 nan 0.000 0.266 236 P C -0.573 176.628 177.300 -0.164 0.000 1.193 236 P CA 0.112 63.074 63.100 -0.229 0.000 0.770 236 P CB 0.567 32.168 31.700 -0.166 0.000 0.836 237 A N 3.436 126.154 122.820 -0.171 0.000 2.366 237 A HA 0.106 4.426 4.320 0.000 0.000 0.250 237 A C 0.412 177.999 177.584 0.006 0.000 1.099 237 A CA -0.231 51.843 52.037 0.062 0.000 0.794 237 A CB -0.295 18.674 19.000 -0.051 0.000 1.056 237 A HN 0.542 nan 8.150 nan 0.000 0.499 238 N N 0.626 119.351 118.700 0.043 0.000 2.454 238 N HA 0.290 5.030 4.740 0.000 0.000 0.260 238 N C 0.197 175.680 175.510 -0.046 0.000 1.218 238 N CA 0.781 53.830 53.050 -0.001 0.000 0.904 238 N CB 0.657 39.143 38.487 -0.001 0.000 1.065 238 N HN 0.769 nan 8.380 nan 0.000 0.462 239 A N 1.452 124.243 122.820 -0.047 0.000 2.548 239 A HA 0.452 4.772 4.320 0.000 0.000 0.247 239 A C 0.290 177.842 177.584 -0.054 0.000 1.067 239 A CA -0.006 51.995 52.037 -0.059 0.000 0.757 239 A CB -0.186 18.786 19.000 -0.048 0.000 0.996 239 A HN 0.743 nan 8.150 nan 0.000 0.504 240 A N 2.564 125.345 122.820 -0.064 0.000 2.515 240 A HA 0.767 5.087 4.320 0.000 0.000 0.296 240 A C 0.143 177.694 177.584 -0.055 0.000 1.094 240 A CA -0.520 51.483 52.037 -0.057 0.000 0.718 240 A CB 0.767 19.730 19.000 -0.062 0.000 1.307 240 A HN 0.832 nan 8.150 nan 0.000 0.408 241 T N 1.731 116.257 114.554 -0.047 0.000 2.870 241 T HA 0.368 4.718 4.350 0.000 0.000 0.300 241 T C 0.327 174.998 174.700 -0.048 0.000 0.989 241 T CA 0.145 62.220 62.100 -0.043 0.000 1.139 241 T CB 0.028 68.875 68.868 -0.035 0.000 0.920 241 T HN 0.661 nan 8.240 nan 0.000 0.537 242 R N 0.648 121.119 120.500 -0.047 0.000 3.188 242 R HA -0.148 4.192 4.340 0.000 0.000 0.247 242 R C 0.153 176.417 176.300 -0.061 0.000 0.918 242 R CA 0.637 56.707 56.100 -0.050 0.000 0.629 242 R CB -2.102 28.171 30.300 -0.044 0.000 1.087 242 R HN 0.887 nan 8.270 nan 0.000 0.462 243 T N -3.860 110.652 114.554 -0.070 0.000 2.924 243 T HA 0.615 4.966 4.350 0.000 0.000 0.291 243 T C 0.636 175.280 174.700 -0.093 0.000 1.045 243 T CA -0.795 61.255 62.100 -0.083 0.000 1.015 243 T CB 2.177 70.990 68.868 -0.092 0.000 1.103 243 T HN 0.086 nan 8.240 nan 0.000 0.496 244 S N 0.443 116.084 115.700 -0.098 0.000 2.618 244 S HA 0.339 4.809 4.470 0.000 0.000 0.254 244 S C 0.490 174.998 174.600 -0.154 0.000 1.284 244 S CA -0.815 57.325 58.200 -0.100 0.000 0.975 244 S CB -0.022 63.127 63.200 -0.084 0.000 1.022 244 S HN 0.631 nan 8.310 nan 0.000 0.571 245 R N 0.096 120.488 120.500 -0.180 0.000 2.349 245 R HA 0.574 4.914 4.340 0.000 0.000 0.299 245 R C 0.144 176.094 176.300 -0.583 0.000 1.027 245 R CA -0.331 55.516 56.100 -0.422 0.000 0.958 245 R CB 1.055 31.108 30.300 -0.411 0.000 1.047 245 R HN 0.680 nan 8.270 nan 0.000 0.468 246 G N 1.653 109.962 108.800 -0.819 0.000 2.574 246 G HA2 0.623 4.583 3.960 0.000 0.000 0.299 246 G HA3 0.623 4.583 3.960 0.000 0.000 0.299 246 G C -1.520 172.942 174.900 -0.729 0.000 1.298 246 G CA -0.498 44.281 45.100 -0.536 0.000 0.952 246 G HN 0.423 nan 8.290 nan 0.000 0.477 247 W N 0.606 121.907 121.300 0.002 0.000 3.118 247 W HA 0.506 5.166 4.660 0.000 0.000 0.328 247 W C -0.413 176.142 176.519 0.060 0.000 1.239 247 W CA -0.506 56.838 57.345 -0.002 0.000 1.176 247 W CB 2.300 31.730 29.460 -0.048 0.000 1.433 247 W HN 0.869 nan 8.180 nan 0.000 0.562 248 H N -2.035 117.122 119.070 0.145 0.000 2.932 248 H HA 0.261 4.817 4.556 0.000 0.000 0.307 248 H C -0.111 175.237 175.328 0.033 0.000 1.391 248 H CA 0.021 56.093 56.048 0.040 0.000 1.130 248 H CB 1.432 31.187 29.762 -0.012 0.000 1.836 248 H HN 0.270 nan 8.280 nan 0.000 0.522 249 T N -2.089 112.497 114.554 0.054 0.000 3.018 249 T HA 0.233 4.583 4.350 0.000 0.000 0.246 249 T C 0.215 174.914 174.700 -0.001 0.000 1.026 249 T CA 0.727 62.808 62.100 -0.031 0.000 1.081 249 T CB -0.086 68.755 68.868 -0.045 0.000 0.970 249 T HN 0.565 nan 8.240 nan 0.000 0.475 250 T N 2.943 117.568 114.554 0.119 0.000 2.886 250 T HA 0.465 4.815 4.350 0.000 0.000 0.292 250 T C -0.498 174.355 174.700 0.255 0.000 1.012 250 T CA -0.639 61.531 62.100 0.117 0.000 0.982 250 T CB 2.005 70.841 68.868 -0.053 0.000 1.018 250 T HN 0.351 nan 8.240 nan 0.000 0.451 251 D N 1.654 122.183 120.400 0.215 0.000 2.433 251 D HA 0.140 4.780 4.640 0.000 0.000 0.211 251 D C 0.321 176.689 176.300 0.115 0.000 1.114 251 D CA -0.052 54.046 54.000 0.164 0.000 0.837 251 D CB 0.519 41.449 40.800 0.218 0.000 0.984 251 D HN 0.332 nan 8.370 nan 0.000 0.505 252 L N 0.399 121.712 121.223 0.150 0.000 2.341 252 L HA 0.412 4.752 4.340 0.000 0.000 0.267 252 L C 0.057 177.048 176.870 0.201 0.000 1.009 252 L CA -1.086 53.846 54.840 0.154 0.000 0.819 252 L CB 2.249 44.402 42.059 0.156 0.000 1.323 252 L HN -0.333 nan 8.230 nan 0.000 0.425 253 K N 1.563 122.072 120.400 0.181 0.000 2.201 253 K HA 0.231 4.551 4.320 0.000 0.000 0.278 253 K C -0.944 175.801 176.600 0.243 0.000 1.027 253 K CA -0.473 55.939 56.287 0.208 0.000 0.909 253 K CB 1.378 33.971 32.500 0.155 0.000 1.062 253 K HN 0.333 nan 8.250 nan 0.000 0.465 254 Y N 3.630 124.011 120.300 0.136 0.000 2.365 254 Y HA 0.169 4.719 4.550 0.000 0.000 0.340 254 Y C -0.510 175.466 175.900 0.126 0.000 1.016 254 Y CA -0.279 57.872 58.100 0.086 0.000 1.196 254 Y CB 0.517 38.961 38.460 -0.026 0.000 1.167 254 Y HN 0.456 nan 8.280 nan 0.000 0.509 255 N N 7.544 125.959 118.700 -0.475 0.000 2.314 255 N HA 0.351 5.091 4.740 0.000 0.000 0.304 255 N C -2.928 172.226 175.510 -0.593 0.000 1.073 255 N CA -1.853 50.982 53.050 -0.357 0.000 0.822 255 N CB 1.688 40.150 38.487 -0.043 0.000 1.280 255 N HN 0.420 nan 8.380 nan 0.000 0.489 256 P HA -0.029 nan 4.420 nan 0.000 0.262 256 P C 0.134 177.413 177.300 -0.035 0.000 1.182 256 P CA 0.240 63.267 63.100 -0.120 0.000 0.761 256 P CB 0.395 32.152 31.700 0.095 0.000 0.795 257 S N 3.344 118.977 115.700 -0.111 0.000 2.558 257 S HA -0.028 4.442 4.470 0.000 0.000 0.291 257 S C 0.574 174.868 174.600 -0.509 0.000 1.306 257 S CA -0.407 57.673 58.200 -0.200 0.000 1.056 257 S CB 0.083 63.211 63.200 -0.120 0.000 0.836 257 S HN 0.384 nan 8.310 nan 0.000 0.504 258 R N 1.792 121.789 120.500 -0.838 0.000 2.756 258 R HA 0.398 4.738 4.340 0.000 0.000 0.264 258 R C -0.554 175.117 176.300 -1.049 0.000 1.026 258 R CA 0.890 55.940 56.100 -1.749 0.000 1.121 258 R CB -0.119 29.559 30.300 -1.037 0.000 0.999 258 R HN 0.656 nan 8.270 nan 0.000 0.449 259 V N 2.766 122.072 119.914 -1.014 0.000 2.777 259 V HA 0.167 4.287 4.120 0.000 0.000 0.267 259 V C -0.341 175.661 176.094 -0.154 0.000 1.031 259 V CA -0.880 61.215 62.300 -0.342 0.000 0.921 259 V CB 1.452 33.173 31.823 -0.170 0.000 1.055 259 V HN 0.829 nan 8.190 nan 0.000 0.485 260 E N 3.910 124.005 120.200 -0.174 0.000 2.568 260 E HA 0.303 4.654 4.350 0.000 0.000 0.262 260 E C 1.036 177.510 176.600 -0.211 0.000 0.961 260 E CA 0.935 57.231 56.400 -0.172 0.000 0.945 260 E CB 0.885 30.498 29.700 -0.144 0.000 0.924 260 E HN 2.300 nan 8.360 nan 0.000 0.467 261 A N 0.439 123.009 122.820 -0.417 0.000 2.578 261 A HA -0.073 4.247 4.320 0.000 0.000 0.298 261 A C -0.273 177.187 177.584 -0.207 0.000 1.472 261 A CA 1.225 53.020 52.037 -0.404 0.000 0.734 261 A CB -2.478 16.449 19.000 -0.122 0.000 1.091 261 A HN 1.022 nan 8.150 nan 0.000 0.426 262 F N -0.884 118.880 119.950 -0.310 0.000 2.690 262 F HA 0.641 5.168 4.527 0.000 0.000 0.311 262 F C -0.762 175.065 175.800 0.044 0.000 1.111 262 F CA -0.235 57.749 58.000 -0.027 0.000 1.003 262 F CB 0.326 39.319 39.000 -0.011 0.000 1.283 262 F HN 1.539 nan 8.300 nan 0.000 0.442 263 H N 0.097 119.232 119.070 0.109 0.000 2.466 263 H HA 0.941 5.497 4.556 0.000 0.000 0.338 263 H C -0.571 174.739 175.328 -0.029 0.000 1.091 263 H CA -0.161 55.905 56.048 0.029 0.000 1.207 263 H CB 1.322 31.119 29.762 0.057 0.000 1.466 263 H HN 1.431 nan 8.280 nan 0.000 0.493 264 R N 2.221 122.678 120.500 -0.072 0.000 2.888 264 R HA 0.559 4.899 4.340 0.000 0.000 0.266 264 R C -1.680 174.543 176.300 -0.127 0.000 1.020 264 R CA -1.000 55.067 56.100 -0.056 0.000 0.963 264 R CB 0.737 31.095 30.300 0.097 0.000 1.197 264 R HN 0.743 nan 8.270 nan 0.000 0.481 265 Y N -0.274 120.108 120.300 0.137 0.000 2.341 265 Y HA 0.629 5.179 4.550 0.000 0.000 0.337 265 Y C 1.052 177.050 175.900 0.163 0.000 1.014 265 Y CA -0.740 57.455 58.100 0.158 0.000 1.111 265 Y CB 2.647 41.198 38.460 0.152 0.000 1.194 265 Y HN 0.874 nan 8.280 nan 0.000 0.462 266 G N 1.846 110.818 108.800 0.287 0.000 2.675 266 G HA2 0.424 4.384 3.960 0.000 0.000 0.297 266 G HA3 0.424 4.384 3.960 0.000 0.000 0.297 266 G C -0.960 174.158 174.900 0.362 0.000 1.399 266 G CA -0.616 44.654 45.100 0.284 0.000 0.981 266 G HN 0.467 nan 8.290 nan 0.000 0.519 267 T N 2.352 117.149 114.554 0.405 0.000 2.771 267 T HA 0.516 4.866 4.350 0.000 0.000 0.291 267 T C 0.289 175.183 174.700 0.324 0.000 0.954 267 T CA 0.156 62.455 62.100 0.332 0.000 1.045 267 T CB 1.079 70.116 68.868 0.282 0.000 0.917 267 T HN 0.379 nan 8.240 nan 0.000 0.484 268 T N 3.041 117.788 114.554 0.322 0.000 2.895 268 T HA 0.624 4.974 4.350 0.000 0.000 0.283 268 T C -0.483 174.441 174.700 0.375 0.000 1.014 268 T CA -0.581 61.751 62.100 0.387 0.000 1.037 268 T CB 1.297 70.368 68.868 0.339 0.000 1.006 268 T HN 0.324 nan 8.240 nan 0.000 0.468 269 V N 3.336 123.546 119.914 0.494 0.000 2.569 269 V HA 0.553 4.673 4.120 0.000 0.000 0.301 269 V C -0.644 175.461 176.094 0.018 0.000 1.044 269 V CA -0.948 61.480 62.300 0.212 0.000 0.874 269 V CB 1.803 33.742 31.823 0.194 0.000 1.002 269 V HN 0.839 nan 8.190 nan 0.000 0.424 270 N N 3.027 121.748 118.700 0.035 0.000 2.617 270 N HA 0.335 5.075 4.740 0.000 0.000 0.263 270 N C -0.671 174.842 175.510 0.005 0.000 1.074 270 N CA -0.247 52.804 53.050 0.002 0.000 0.841 270 N CB 1.048 39.555 38.487 0.033 0.000 1.221 270 N HN 0.675 nan 8.380 nan 0.000 0.529 271 c N 4.087 122.684 118.600 -0.004 0.000 2.648 271 c HA 0.380 4.950 4.570 0.000 0.000 0.415 271 c C 0.679 174.741 174.090 -0.048 0.000 1.366 271 c CA -0.418 55.899 56.329 -0.020 0.000 1.756 271 c CB -1.649 40.864 42.510 0.005 0.000 2.549 271 c HN 0.514 nan 8.230 nan 0.000 0.597 272 I N 3.457 123.892 120.570 -0.225 0.000 2.608 272 I HA 0.570 4.740 4.170 0.000 0.000 0.295 272 I C -0.677 175.206 176.117 -0.390 0.000 1.049 272 I CA -0.538 60.562 61.300 -0.333 0.000 1.063 272 I CB 1.731 39.350 38.000 -0.635 0.000 1.248 272 I HN 0.221 nan 8.210 nan 0.000 0.424 273 V N 4.843 124.680 119.914 -0.128 0.000 2.488 273 V HA 0.380 4.500 4.120 0.000 0.000 0.293 273 V C -0.488 175.659 176.094 0.089 0.000 1.027 273 V CA -0.612 61.624 62.300 -0.106 0.000 0.862 273 V CB 1.828 33.625 31.823 -0.045 0.000 1.008 273 V HN 0.649 nan 8.190 nan 0.000 0.428 274 E N 2.983 123.161 120.200 -0.036 0.000 2.199 274 E HA 0.423 4.773 4.350 0.000 0.000 0.269 274 E C -0.685 175.927 176.600 0.019 0.000 0.899 274 E CA -0.570 55.848 56.400 0.030 0.000 0.772 274 E CB 2.855 32.568 29.700 0.020 0.000 1.155 274 E HN 0.645 nan 8.360 nan 0.000 0.408 275 E N 1.902 122.142 120.200 0.067 0.000 2.127 275 E HA 0.142 4.493 4.350 0.000 0.000 0.262 275 E C 0.144 176.730 176.600 -0.024 0.000 1.144 275 E CA -0.276 56.156 56.400 0.052 0.000 1.144 275 E CB 0.561 30.340 29.700 0.132 0.000 1.297 275 E HN 0.243 nan 8.360 nan 0.000 0.469 276 V N -1.101 118.775 119.914 -0.064 0.000 2.834 276 V HA 0.250 4.370 4.120 0.000 0.000 0.301 276 V C 0.365 176.360 176.094 -0.165 0.000 1.066 276 V CA -0.866 61.365 62.300 -0.115 0.000 1.052 276 V CB 1.347 33.085 31.823 -0.142 0.000 1.021 276 V HN 0.164 nan 8.190 nan 0.000 0.480 277 D N 2.197 122.482 120.400 -0.191 0.000 2.339 277 D HA 0.653 5.293 4.640 0.000 0.000 0.245 277 D C 0.068 176.140 176.300 -0.381 0.000 1.115 277 D CA 0.598 54.439 54.000 -0.265 0.000 0.917 277 D CB 1.680 42.355 40.800 -0.208 0.000 1.192 277 D HN 1.137 nan 8.370 nan 0.000 0.428 278 A N 2.259 124.699 122.820 -0.633 0.000 2.401 278 A HA 0.790 5.110 4.320 0.000 0.000 0.310 278 A C -0.491 176.680 177.584 -0.688 0.000 1.075 278 A CA -0.715 50.817 52.037 -0.842 0.000 0.746 278 A CB 1.417 19.433 19.000 -1.640 0.000 1.277 278 A HN 0.516 nan 8.150 nan 0.000 0.425 279 R N 0.242 120.589 120.500 -0.255 0.000 2.673 279 R HA 0.762 5.102 4.340 0.000 0.000 0.281 279 R C -0.943 175.502 176.300 0.243 0.000 0.991 279 R CA -0.465 55.644 56.100 0.015 0.000 0.896 279 R CB 2.367 32.639 30.300 -0.048 0.000 1.201 279 R HN 0.716 nan 8.270 nan 0.000 0.457 280 S N 1.089 117.024 115.700 0.392 0.000 2.541 280 S HA 0.688 5.158 4.470 0.000 0.000 0.271 280 S C -1.183 173.659 174.600 0.404 0.000 1.133 280 S CA -0.683 57.775 58.200 0.431 0.000 0.876 280 S CB 1.686 65.218 63.200 0.553 0.000 1.105 280 S HN 0.442 nan 8.310 nan 0.000 0.470 281 V N 2.133 122.125 119.914 0.130 0.000 2.960 281 V HA 0.679 4.799 4.120 0.000 0.000 0.315 281 V C -0.452 175.181 176.094 -0.767 0.000 1.087 281 V CA -1.099 61.098 62.300 -0.172 0.000 0.982 281 V CB 1.019 32.826 31.823 -0.028 0.000 1.039 281 V HN 0.959 nan 8.190 nan 0.000 0.437 282 Y N 3.819 123.395 120.300 -1.206 0.000 2.987 282 Y HA 0.187 4.737 4.550 0.000 0.000 0.339 282 Y C -1.546 174.115 175.900 -0.398 0.000 1.272 282 Y CA -0.200 57.331 58.100 -0.948 0.000 1.562 282 Y CB 0.808 39.034 38.460 -0.390 0.000 1.253 282 Y HN 0.625 nan 8.280 nan 0.000 0.604 283 P HA 0.086 nan 4.420 nan 0.000 0.255 283 P C -1.402 175.693 177.300 -0.341 0.000 1.427 283 P CA 0.221 62.702 63.100 -1.031 0.000 0.863 283 P CB -0.432 30.838 31.700 -0.716 0.000 1.444 284 Y N -0.133 120.119 120.300 -0.081 0.000 3.125 284 Y HA -0.216 4.334 4.550 0.000 0.000 0.200 284 Y C 0.522 176.466 175.900 0.072 0.000 1.373 284 Y CA 0.496 58.623 58.100 0.045 0.000 1.180 284 Y CB -2.864 35.658 38.460 0.104 0.000 1.381 284 Y HN 0.222 nan 8.280 nan 0.000 0.501 285 D N -0.541 119.942 120.400 0.138 0.000 2.398 285 D HA 0.160 4.800 4.640 0.000 0.000 0.210 285 D C 0.444 176.909 176.300 0.275 0.000 1.094 285 D CA 0.694 54.803 54.000 0.180 0.000 0.839 285 D CB 0.349 41.142 40.800 -0.012 0.000 0.963 285 D HN 0.704 nan 8.370 nan 0.000 0.506 286 E N -0.634 119.724 120.200 0.264 0.000 2.429 286 E HA 0.504 4.854 4.350 0.000 0.000 0.280 286 E C -1.282 175.509 176.600 0.317 0.000 1.068 286 E CA -1.193 55.370 56.400 0.271 0.000 0.837 286 E CB 1.353 31.208 29.700 0.259 0.000 1.357 286 E HN 0.051 nan 8.360 nan 0.000 0.455 287 F N -0.981 119.002 119.950 0.056 0.000 2.711 287 F HA 0.759 5.286 4.527 0.000 0.000 0.313 287 F C -1.294 174.359 175.800 -0.246 0.000 1.141 287 F CA -1.008 56.978 58.000 -0.024 0.000 0.941 287 F CB 0.982 40.035 39.000 0.088 0.000 1.349 287 F HN 0.450 nan 8.300 nan 0.000 0.464 288 V N -0.113 119.673 119.914 -0.213 0.000 3.166 288 V HA 0.815 4.935 4.120 0.000 0.000 0.317 288 V C -0.904 175.037 176.094 -0.255 0.000 1.136 288 V CA -1.170 60.824 62.300 -0.510 0.000 1.035 288 V CB 1.695 33.059 31.823 -0.763 0.000 1.110 288 V HN 0.973 nan 8.190 nan 0.000 0.450 289 L N 0.131 121.159 121.223 -0.324 0.000 2.256 289 L HA 0.723 5.063 4.340 0.000 0.000 0.261 289 L C 1.698 178.412 176.870 -0.260 0.000 1.022 289 L CA -0.480 54.198 54.840 -0.269 0.000 0.828 289 L CB 1.671 43.565 42.059 -0.274 0.000 1.374 289 L HN 0.790 nan 8.230 nan 0.000 0.436 290 A N -0.233 122.450 122.820 -0.228 0.000 1.978 290 A HA -0.150 4.170 4.320 0.000 0.000 0.220 290 A C 1.756 179.229 177.584 -0.185 0.000 1.170 290 A CA 2.213 54.136 52.037 -0.190 0.000 0.636 290 A CB -1.023 17.879 19.000 -0.163 0.000 0.810 290 A HN 0.863 nan 8.150 nan 0.000 0.448 291 T N -3.419 111.009 114.554 -0.210 0.000 3.252 291 T HA 0.387 4.737 4.350 0.000 0.000 0.250 291 T C 1.236 175.812 174.700 -0.208 0.000 1.123 291 T CA 0.861 62.838 62.100 -0.205 0.000 1.006 291 T CB -0.503 68.217 68.868 -0.247 0.000 0.992 291 T HN 1.684 nan 8.240 nan 0.000 0.547 292 G N 1.150 109.817 108.800 -0.221 0.000 2.198 292 G HA2 -0.221 3.739 3.960 0.000 0.000 0.260 292 G HA3 -0.221 3.739 3.960 0.000 0.000 0.260 292 G C -0.522 174.250 174.900 -0.213 0.000 1.025 292 G CA 0.013 44.984 45.100 -0.215 0.000 0.769 292 G HN 0.647 nan 8.290 nan 0.000 0.507 293 D N -0.988 119.252 120.400 -0.267 0.000 2.210 293 D HA 0.598 5.238 4.640 0.000 0.000 0.249 293 D C -0.037 176.075 176.300 -0.314 0.000 1.062 293 D CA -0.209 53.668 54.000 -0.205 0.000 0.891 293 D CB 0.746 41.399 40.800 -0.246 0.000 1.186 293 D HN 0.092 nan 8.370 nan 0.000 0.432 294 F N 1.433 121.229 119.950 -0.257 0.000 2.385 294 F HA 0.312 4.839 4.527 0.000 0.000 0.360 294 F C -0.179 175.244 175.800 -0.628 0.000 1.122 294 F CA -0.720 56.983 58.000 -0.495 0.000 1.090 294 F CB 1.112 39.736 39.000 -0.628 0.000 1.150 294 F HN 0.031 nan 8.300 nan 0.000 0.472 295 V N 5.777 125.350 119.914 -0.569 0.000 2.311 295 V HA 0.094 4.214 4.120 0.000 0.000 0.275 295 V C -0.547 175.294 176.094 -0.422 0.000 1.022 295 V CA -0.868 61.120 62.300 -0.521 0.000 0.830 295 V CB 0.070 31.356 31.823 -0.894 0.000 1.012 295 V HN 0.535 nan 8.190 nan 0.000 0.452 296 Y N 5.665 126.037 120.300 0.120 0.000 2.734 296 Y HA 0.492 5.042 4.550 0.000 0.000 0.353 296 Y C 0.368 176.401 175.900 0.222 0.000 1.244 296 Y CA 0.165 58.351 58.100 0.144 0.000 1.950 296 Y CB -0.098 38.383 38.460 0.036 0.000 2.028 296 Y HN 0.609 nan 8.280 nan 0.000 0.421 297 M N 0.599 120.363 119.600 0.274 0.000 2.471 297 M HA 0.305 4.785 4.480 0.000 0.000 0.284 297 M C -0.869 175.645 176.300 0.357 0.000 1.203 297 M CA -0.633 54.821 55.300 0.256 0.000 0.915 297 M CB 1.829 34.520 32.600 0.153 0.000 1.734 297 M HN 0.115 nan 8.290 nan 0.000 0.485 298 S N 3.380 119.269 115.700 0.316 0.000 2.537 298 S HA 0.241 4.711 4.470 0.000 0.000 0.286 298 S C -1.991 172.721 174.600 0.185 0.000 1.299 298 S CA -0.777 57.599 58.200 0.293 0.000 1.067 298 S CB 0.590 63.991 63.200 0.335 0.000 0.864 298 S HN 0.568 nan 8.310 nan 0.000 0.494 299 P HA -0.009 nan 4.420 nan 0.000 0.223 299 P C 0.029 177.014 177.300 -0.525 0.000 1.144 299 P CA 1.166 63.759 63.100 -0.844 0.000 0.783 299 P CB -0.020 30.667 31.700 -1.689 0.000 0.771 300 F N -4.114 115.854 119.950 0.030 0.000 2.639 300 F HA 0.220 4.747 4.527 0.000 0.000 0.302 300 F C 0.742 176.758 175.800 0.361 0.000 1.097 300 F CA -0.873 57.136 58.000 0.016 0.000 1.294 300 F CB -0.468 38.403 39.000 -0.215 0.000 1.027 300 F HN -0.182 nan 8.300 nan 0.000 0.550 301 Y N 1.761 122.276 120.300 0.359 0.000 2.436 301 Y HA 0.545 5.095 4.550 0.000 0.000 0.336 301 Y C 0.470 176.417 175.900 0.077 0.000 1.049 301 Y CA -0.157 58.051 58.100 0.180 0.000 1.294 301 Y CB 0.180 38.631 38.460 -0.015 0.000 1.179 301 Y HN 0.143 nan 8.280 nan 0.000 0.520 302 G N 3.744 112.304 108.800 -0.400 0.000 2.871 302 G HA2 0.100 4.060 3.960 0.000 0.000 0.282 302 G HA3 0.100 4.060 3.960 0.000 0.000 0.282 302 G C -0.857 173.741 174.900 -0.504 0.000 1.212 302 G CA -0.566 44.195 45.100 -0.564 0.000 0.812 302 G HN 0.588 nan 8.290 nan 0.000 0.547 303 Y N -0.045 120.035 120.300 -0.367 0.000 2.444 303 Y HA 0.301 4.851 4.550 0.000 0.000 0.252 303 Y C 1.266 176.983 175.900 -0.305 0.000 1.091 303 Y CA -0.409 57.557 58.100 -0.223 0.000 1.276 303 Y CB 0.835 39.206 38.460 -0.149 0.000 1.170 303 Y HN -0.071 nan 8.280 nan 0.000 0.517 304 R N 1.968 122.232 120.500 -0.394 0.000 2.196 304 R HA 0.174 4.514 4.340 0.000 0.000 0.340 304 R C -0.524 175.682 176.300 -0.156 0.000 1.043 304 R CA -0.258 55.635 56.100 -0.345 0.000 0.883 304 R CB 0.729 30.699 30.300 -0.550 0.000 1.078 304 R HN 0.066 nan 8.270 nan 0.000 0.462 305 E N 1.916 122.094 120.200 -0.036 0.000 2.267 305 E HA -0.162 4.188 4.350 0.000 0.000 0.229 305 E C 0.509 177.153 176.600 0.073 0.000 1.193 305 E CA 0.994 57.419 56.400 0.043 0.000 0.695 305 E CB -1.462 28.302 29.700 0.105 0.000 1.219 305 E HN 1.051 nan 8.360 nan 0.000 0.391 306 G N -0.363 108.464 108.800 0.045 0.000 2.162 306 G HA2 -0.375 3.586 3.960 0.000 0.000 0.260 306 G HA3 -0.375 3.586 3.960 0.000 0.000 0.260 306 G C 1.094 176.039 174.900 0.075 0.000 0.976 306 G CA 0.720 45.855 45.100 0.058 0.000 0.655 306 G HN 0.592 nan 8.290 nan 0.000 0.533 307 S N -0.690 115.055 115.700 0.074 0.000 2.423 307 S HA -0.050 4.420 4.470 0.000 0.000 0.231 307 S C 1.688 176.196 174.600 -0.154 0.000 1.014 307 S CA 1.366 59.598 58.200 0.053 0.000 0.965 307 S CB -0.263 62.989 63.200 0.088 0.000 0.785 307 S HN 0.708 nan 8.310 nan 0.000 0.495 308 H N 1.391 120.323 119.070 -0.230 0.000 2.543 308 H HA -0.046 4.510 4.556 0.000 0.000 0.286 308 H C 2.056 177.350 175.328 -0.056 0.000 1.037 308 H CA 1.653 57.538 56.048 -0.271 0.000 1.250 308 H CB -0.068 29.654 29.762 -0.065 0.000 1.373 308 H HN 0.467 nan 8.280 nan 0.000 0.580 309 T N -2.676 111.913 114.554 0.058 0.000 3.081 309 T HA 0.021 4.371 4.350 0.000 0.000 0.255 309 T C 0.941 175.728 174.700 0.146 0.000 1.113 309 T CA -0.194 61.968 62.100 0.104 0.000 1.082 309 T CB 0.284 69.207 68.868 0.091 0.000 0.939 309 T HN 0.123 nan 8.240 nan 0.000 0.506 310 E N 1.812 122.120 120.200 0.180 0.000 2.451 310 E HA 0.097 4.447 4.350 0.000 0.000 0.256 310 E C -0.252 176.581 176.600 0.388 0.000 1.294 310 E CA 0.073 56.668 56.400 0.325 0.000 1.005 310 E CB 0.190 30.146 29.700 0.427 0.000 0.990 310 E HN 0.579 nan 8.360 nan 0.000 0.505 311 H N -0.906 118.291 119.070 0.213 0.000 2.487 311 H HA 0.331 4.887 4.556 0.000 0.000 0.333 311 H C -0.908 174.354 175.328 -0.110 0.000 1.114 311 H CA 0.044 56.130 56.048 0.064 0.000 1.310 311 H CB 1.034 30.828 29.762 0.053 0.000 1.462 311 H HN 0.251 nan 8.280 nan 0.000 0.516 312 T N 2.909 116.865 114.554 -0.997 0.000 3.105 312 T HA 0.248 4.598 4.350 0.000 0.000 0.321 312 T C -0.345 173.932 174.700 -0.705 0.000 1.135 312 T CA -0.662 60.958 62.100 -0.801 0.000 1.053 312 T CB 0.882 69.258 68.868 -0.819 0.000 1.133 312 T HN 0.586 nan 8.240 nan 0.000 0.463 313 S N 3.348 118.747 115.700 -0.502 0.000 2.582 313 S HA 0.337 4.807 4.470 0.000 0.000 0.234 313 S C -0.402 173.874 174.600 -0.541 0.000 0.961 313 S CA -0.290 57.623 58.200 -0.479 0.000 0.953 313 S CB -0.204 62.732 63.200 -0.440 0.000 0.800 313 S HN 0.666 nan 8.310 nan 0.000 0.471 314 Y N 0.894 121.097 120.300 -0.162 0.000 3.114 314 Y HA 0.793 5.343 4.550 0.000 0.000 0.325 314 Y C 0.398 176.259 175.900 -0.065 0.000 1.397 314 Y CA -1.368 56.679 58.100 -0.088 0.000 1.008 314 Y CB 0.196 38.618 38.460 -0.064 0.000 1.338 314 Y HN 0.034 nan 8.280 nan 0.000 0.730 315 A N -0.458 122.476 122.820 0.190 0.000 2.365 315 A HA 0.668 4.989 4.320 0.000 0.000 0.318 315 A C 0.731 178.395 177.584 0.134 0.000 1.091 315 A CA -0.191 51.914 52.037 0.115 0.000 0.763 315 A CB 0.917 19.971 19.000 0.090 0.000 1.248 315 A HN 0.896 nan 8.150 nan 0.000 0.442 316 A N 1.086 123.989 122.820 0.139 0.000 1.940 316 A HA -0.267 4.053 4.320 0.000 0.000 0.221 316 A C 1.681 179.364 177.584 0.165 0.000 1.190 316 A CA 2.869 55.026 52.037 0.199 0.000 0.647 316 A CB -0.775 18.338 19.000 0.189 0.000 0.821 316 A HN 0.975 nan 8.150 nan 0.000 0.457 317 D N -0.657 119.803 120.400 0.100 0.000 2.116 317 D HA -0.193 4.447 4.640 0.000 0.000 0.193 317 D C 2.101 178.424 176.300 0.038 0.000 0.998 317 D CA 1.679 55.711 54.000 0.052 0.000 0.836 317 D CB -0.265 40.562 40.800 0.045 0.000 0.951 317 D HN 0.503 nan 8.370 nan 0.000 0.449 318 R N -1.391 119.150 120.500 0.069 0.000 2.152 318 R HA -0.044 4.296 4.340 0.000 0.000 0.232 318 R C 0.498 176.829 176.300 0.053 0.000 1.117 318 R CA 0.217 56.340 56.100 0.040 0.000 0.981 318 R CB -0.227 30.085 30.300 0.019 0.000 0.870 318 R HN 0.235 nan 8.270 nan 0.000 0.451 319 F N 1.165 121.081 119.950 -0.056 0.000 2.422 319 F HA 0.417 4.944 4.527 0.000 0.000 0.333 319 F C -0.501 175.247 175.800 -0.086 0.000 1.095 319 F CA -0.809 57.154 58.000 -0.061 0.000 1.038 319 F CB 1.133 40.119 39.000 -0.024 0.000 1.156 319 F HN -0.415 nan 8.300 nan 0.000 0.483 320 K N 3.485 123.106 120.400 -1.298 0.000 2.464 320 K HA 0.354 4.674 4.320 0.000 0.000 0.253 320 K C -1.652 174.113 176.600 -1.393 0.000 0.933 320 K CA -0.718 54.892 56.287 -1.129 0.000 0.801 320 K CB 1.986 33.930 32.500 -0.926 0.000 1.271 320 K HN 0.704 nan 8.250 nan 0.000 0.430 321 Q N 2.201 121.510 119.800 -0.819 0.000 2.310 321 Q HA 0.546 4.886 4.340 0.000 0.000 0.270 321 Q C -1.516 174.391 176.000 -0.156 0.000 1.025 321 Q CA -0.814 54.691 55.803 -0.496 0.000 0.772 321 Q CB 1.788 30.236 28.738 -0.483 0.000 1.253 321 Q HN 0.374 nan 8.270 nan 0.000 0.450 322 V N 3.831 123.686 119.914 -0.099 0.000 2.357 322 V HA 0.237 4.357 4.120 0.000 0.000 0.284 322 V C -0.406 175.718 176.094 0.049 0.000 1.018 322 V CA -0.672 61.653 62.300 0.041 0.000 0.841 322 V CB 1.623 33.542 31.823 0.161 0.000 0.991 322 V HN 0.801 nan 8.190 nan 0.000 0.437 323 D N 3.283 123.714 120.400 0.051 0.000 2.312 323 D HA 0.532 5.172 4.640 0.000 0.000 0.248 323 D C 1.224 177.572 176.300 0.079 0.000 1.086 323 D CA 1.204 55.230 54.000 0.045 0.000 0.948 323 D CB 1.500 42.308 40.800 0.014 0.000 1.162 323 D HN 0.847 nan 8.370 nan 0.000 0.446 324 G N 1.714 110.542 108.800 0.047 0.000 2.180 324 G HA2 -0.315 3.645 3.960 0.000 0.000 0.263 324 G HA3 -0.315 3.645 3.960 0.000 0.000 0.263 324 G C 0.382 175.292 174.900 0.018 0.000 0.989 324 G CA 0.363 45.471 45.100 0.014 0.000 0.692 324 G HN 0.503 nan 8.290 nan 0.000 0.526 325 F N 1.121 121.027 119.950 -0.073 0.000 2.590 325 F HA 0.485 5.013 4.527 0.000 0.000 0.389 325 F C 0.283 176.013 175.800 -0.116 0.000 1.049 325 F CA -0.494 57.482 58.000 -0.040 0.000 1.199 325 F CB 0.194 39.173 39.000 -0.035 0.000 1.058 325 F HN 0.125 nan 8.300 nan 0.000 0.556 326 Y N 5.504 125.409 120.300 -0.657 0.000 2.385 326 Y HA 0.527 5.077 4.550 0.000 0.000 0.341 326 Y C 0.376 175.829 175.900 -0.744 0.000 0.965 326 Y CA -0.739 57.073 58.100 -0.480 0.000 1.180 326 Y CB 0.955 39.243 38.460 -0.287 0.000 1.139 326 Y HN 0.763 nan 8.280 nan 0.000 0.502 327 A N 5.342 128.025 122.820 -0.228 0.000 2.409 327 A HA 0.464 4.784 4.320 0.000 0.000 0.262 327 A C 0.014 177.588 177.584 -0.018 0.000 1.113 327 A CA -0.612 51.404 52.037 -0.034 0.000 0.790 327 A CB 0.307 19.463 19.000 0.260 0.000 1.046 327 A HN 0.704 nan 8.150 nan 0.000 0.496 328 R N 3.189 123.664 120.500 -0.042 0.000 2.288 328 R HA 0.122 4.462 4.340 0.000 0.000 0.326 328 R C -1.074 175.196 176.300 -0.050 0.000 0.959 328 R CA -0.510 55.562 56.100 -0.046 0.000 0.834 328 R CB 0.698 30.949 30.300 -0.082 0.000 1.157 328 R HN 0.917 nan 8.270 nan 0.000 0.470 329 D N 4.361 124.744 120.400 -0.028 0.000 2.493 329 D HA -0.077 4.563 4.640 0.000 0.000 0.240 329 D C 1.067 177.296 176.300 -0.118 0.000 1.142 329 D CA 0.199 54.172 54.000 -0.044 0.000 0.872 329 D CB 1.015 41.832 40.800 0.029 0.000 1.173 329 D HN 0.596 nan 8.370 nan 0.000 0.467 330 L N 2.849 123.893 121.223 -0.298 0.000 2.270 330 L HA -0.084 4.256 4.340 0.000 0.000 0.210 330 L C 2.331 179.136 176.870 -0.107 0.000 1.104 330 L CA 0.609 55.184 54.840 -0.442 0.000 0.804 330 L CB -0.087 41.230 42.059 -1.236 0.000 0.937 330 L HN 0.429 nan 8.230 nan 0.000 0.450 331 T N -1.514 113.141 114.554 0.168 0.000 2.837 331 T HA -0.113 4.237 4.350 0.000 0.000 0.248 331 T C 1.883 176.661 174.700 0.130 0.000 1.033 331 T CA 1.762 64.036 62.100 0.290 0.000 1.150 331 T CB -0.144 68.949 68.868 0.375 0.000 0.865 331 T HN 0.430 nan 8.240 nan 0.000 0.425 332 T N -0.150 114.462 114.554 0.097 0.000 3.067 332 T HA 0.134 4.484 4.350 0.000 0.000 0.261 332 T C 0.822 175.537 174.700 0.025 0.000 1.110 332 T CA 0.360 62.493 62.100 0.057 0.000 1.113 332 T CB -0.423 68.477 68.868 0.054 0.000 0.917 332 T HN 0.411 nan 8.240 nan 0.000 0.499 333 K N 0.631 121.035 120.400 0.007 0.000 3.069 333 K HA -0.131 4.189 4.320 0.000 0.000 0.267 333 K C 0.193 176.782 176.600 -0.018 0.000 1.082 333 K CA 0.198 56.473 56.287 -0.020 0.000 0.782 333 K CB -2.194 30.295 32.500 -0.018 0.000 1.230 333 K HN 0.719 nan 8.250 nan 0.000 0.488 334 A N 1.030 123.845 122.820 -0.007 0.000 2.281 334 A HA 0.683 5.003 4.320 0.000 0.000 0.329 334 A C -0.089 177.491 177.584 -0.007 0.000 1.122 334 A CA -0.596 51.438 52.037 -0.005 0.000 0.850 334 A CB 1.052 20.059 19.000 0.012 0.000 1.207 334 A HN 0.330 nan 8.150 nan 0.000 0.495 335 R N 0.105 120.600 120.500 -0.008 0.000 2.604 335 R HA 0.616 4.956 4.340 0.000 0.000 0.287 335 R C 0.031 176.373 176.300 0.069 0.000 0.970 335 R CA -0.209 55.895 56.100 0.005 0.000 0.946 335 R CB 1.410 31.677 30.300 -0.055 0.000 1.127 335 R HN 0.952 nan 8.270 nan 0.000 0.473 336 A N 1.398 124.302 122.820 0.141 0.000 2.445 336 A HA 0.119 4.439 4.320 0.000 0.000 0.242 336 A C 1.174 178.903 177.584 0.242 0.000 1.075 336 A CA 0.187 52.321 52.037 0.162 0.000 0.777 336 A CB 0.431 19.503 19.000 0.121 0.000 1.013 336 A HN 0.982 nan 8.150 nan 0.000 0.493 337 T N 0.172 114.819 114.554 0.154 0.000 2.735 337 T HA 0.272 4.622 4.350 0.000 0.000 0.256 337 T C 0.873 175.680 174.700 0.179 0.000 1.042 337 T CA 0.993 63.189 62.100 0.159 0.000 1.147 337 T CB -0.403 68.519 68.868 0.090 0.000 0.865 337 T HN 1.380 nan 8.240 nan 0.000 0.421 338 A N 3.377 126.240 122.820 0.072 0.000 2.276 338 A HA 0.717 5.037 4.320 0.000 0.000 0.316 338 A C -2.555 174.938 177.584 -0.152 0.000 1.229 338 A CA -1.787 50.245 52.037 -0.008 0.000 0.851 338 A CB 0.395 19.403 19.000 0.013 0.000 1.165 338 A HN 0.367 nan 8.150 nan 0.000 0.513 339 P HA 0.521 nan 4.420 nan 0.000 0.276 339 P C -0.085 177.123 177.300 -0.155 0.000 1.252 339 P CA -0.120 62.676 63.100 -0.506 0.000 0.802 339 P CB 0.992 32.269 31.700 -0.705 0.000 1.035 340 T N -3.923 110.603 114.554 -0.047 0.000 2.883 340 T HA 0.448 4.798 4.350 0.000 0.000 0.296 340 T C -0.601 174.145 174.700 0.076 0.000 1.117 340 T CA -0.736 61.394 62.100 0.050 0.000 1.006 340 T CB 0.589 69.510 68.868 0.089 0.000 1.191 340 T HN 0.154 nan 8.240 nan 0.000 0.508 341 T N 2.452 117.061 114.554 0.091 0.000 2.776 341 T HA 0.392 4.742 4.350 0.000 0.000 0.292 341 T C 0.102 174.790 174.700 -0.021 0.000 0.921 341 T CA -0.361 61.769 62.100 0.051 0.000 1.038 341 T CB -0.150 68.767 68.868 0.081 0.000 0.910 341 T HN 0.570 nan 8.240 nan 0.000 0.536 342 R N 3.673 124.097 120.500 -0.126 0.000 2.221 342 R HA 0.307 4.647 4.340 0.000 0.000 0.327 342 R C -0.586 175.486 176.300 -0.381 0.000 1.033 342 R CA -0.508 55.396 56.100 -0.326 0.000 0.887 342 R CB 0.125 29.998 30.300 -0.713 0.000 1.057 342 R HN 0.359 nan 8.270 nan 0.000 0.455 343 N N 4.221 122.612 118.700 -0.515 0.000 2.438 343 N HA 0.324 5.064 4.740 0.000 0.000 0.282 343 N C -1.235 174.055 175.510 -0.367 0.000 1.037 343 N CA -0.336 52.395 53.050 -0.532 0.000 0.942 343 N CB 1.236 39.209 38.487 -0.856 0.000 1.136 343 N HN 0.329 nan 8.380 nan 0.000 0.481 344 L N 2.156 123.245 121.223 -0.224 0.000 2.349 344 L HA 0.480 4.820 4.340 0.000 0.000 0.278 344 L C -0.844 176.100 176.870 0.124 0.000 0.996 344 L CA -0.599 54.253 54.840 0.020 0.000 0.825 344 L CB 1.538 43.625 42.059 0.047 0.000 1.243 344 L HN 0.349 nan 8.230 nan 0.000 0.412 345 L N 2.594 124.007 121.223 0.317 0.000 2.341 345 L HA 0.694 5.034 4.340 0.000 0.000 0.278 345 L C -0.246 176.674 176.870 0.084 0.000 1.005 345 L CA 0.211 55.193 54.840 0.237 0.000 0.818 345 L CB 2.058 44.287 42.059 0.284 0.000 1.259 345 L HN 0.543 nan 8.230 nan 0.000 0.418 346 T N 3.468 118.003 114.554 -0.032 0.000 2.832 346 T HA 0.337 4.687 4.350 0.000 0.000 0.313 346 T C 0.125 174.697 174.700 -0.212 0.000 1.035 346 T CA -0.244 61.816 62.100 -0.066 0.000 0.950 346 T CB 0.195 69.067 68.868 0.006 0.000 0.984 346 T HN 0.692 nan 8.240 nan 0.000 0.486 347 T N 5.475 119.783 114.554 -0.410 0.000 2.904 347 T HA 0.183 4.533 4.350 0.000 0.000 0.290 347 T C -1.323 173.188 174.700 -0.315 0.000 1.018 347 T CA -1.420 60.374 62.100 -0.509 0.000 1.075 347 T CB 1.036 69.156 68.868 -1.245 0.000 0.986 347 T HN 0.173 nan 8.240 nan 0.000 0.523 348 P HA -0.093 nan 4.420 nan 0.000 0.223 348 P C 0.959 178.224 177.300 -0.059 0.000 1.140 348 P CA 1.109 64.191 63.100 -0.030 0.000 0.783 348 P CB 0.222 31.939 31.700 0.030 0.000 0.759 349 K N -2.270 118.035 120.400 -0.159 0.000 2.450 349 K HA 0.261 4.581 4.320 0.000 0.000 0.206 349 K C 0.484 177.168 176.600 0.140 0.000 1.148 349 K CA 0.228 56.509 56.287 -0.010 0.000 1.014 349 K CB 0.794 33.382 32.500 0.146 0.000 0.966 349 K HN 0.265 nan 8.250 nan 0.000 0.566 350 F N -2.195 117.769 119.950 0.023 0.000 2.842 350 F HA 0.406 4.933 4.527 0.000 0.000 0.319 350 F C -1.360 174.523 175.800 0.138 0.000 1.159 350 F CA -1.114 56.948 58.000 0.104 0.000 0.902 350 F CB 0.798 39.840 39.000 0.070 0.000 1.311 350 F HN -0.337 nan 8.300 nan 0.000 0.453 351 T N 2.141 116.977 114.554 0.470 0.000 2.786 351 T HA 0.582 4.932 4.350 0.000 0.000 0.283 351 T C -1.307 173.756 174.700 0.604 0.000 0.992 351 T CA -0.661 61.673 62.100 0.390 0.000 0.954 351 T CB 1.407 70.438 68.868 0.272 0.000 0.934 351 T HN 0.828 nan 8.240 nan 0.000 0.440 352 V N 3.168 123.426 119.914 0.574 0.000 2.435 352 V HA 0.908 5.028 4.120 0.000 0.000 0.290 352 V C -0.500 175.980 176.094 0.643 0.000 1.030 352 V CA -0.497 62.166 62.300 0.605 0.000 0.881 352 V CB 0.967 33.152 31.823 0.603 0.000 0.983 352 V HN 1.071 nan 8.190 nan 0.000 0.445 353 A N 6.327 129.524 122.820 0.628 0.000 2.413 353 A HA 1.056 5.376 4.320 0.000 0.000 0.307 353 A C -1.096 176.885 177.584 0.661 0.000 1.087 353 A CA -0.338 52.019 52.037 0.533 0.000 0.750 353 A CB 1.404 20.578 19.000 0.290 0.000 1.296 353 A HN 1.809 nan 8.150 nan 0.000 0.423 354 W N -0.150 121.240 121.300 0.149 0.000 2.826 354 W HA 0.625 5.285 4.660 0.000 0.000 0.410 354 W C -2.079 174.511 176.519 0.119 0.000 1.128 354 W CA -0.662 56.771 57.345 0.146 0.000 1.176 354 W CB 0.657 30.249 29.460 0.220 0.000 1.475 354 W HN 0.422 nan 8.180 nan 0.000 0.588 355 D N 1.634 122.141 120.400 0.180 0.000 2.412 355 D HA 0.105 4.745 4.640 0.000 0.000 0.224 355 D C -0.899 175.443 176.300 0.070 0.000 1.093 355 D CA -0.012 54.022 54.000 0.057 0.000 0.850 355 D CB 0.395 41.278 40.800 0.138 0.000 1.046 355 D HN 0.502 nan 8.370 nan 0.000 0.507 356 W N 4.554 125.702 121.300 -0.253 0.000 2.295 356 W HA 0.221 4.881 4.660 0.000 0.000 0.335 356 W C -0.389 176.157 176.519 0.044 0.000 1.351 356 W CA -0.068 57.209 57.345 -0.113 0.000 1.273 356 W CB 0.443 29.807 29.460 -0.160 0.000 1.214 356 W HN 0.165 nan 8.180 nan 0.000 0.563 357 V N 4.783 124.216 119.914 -0.803 0.000 3.007 357 V HA 0.646 4.766 4.120 0.000 0.000 0.311 357 V C -2.535 172.785 176.094 -1.290 0.000 1.120 357 V CA -3.229 58.518 62.300 -0.921 0.000 0.980 357 V CB 1.542 33.207 31.823 -0.263 0.000 1.033 357 V HN 0.494 nan 8.190 nan 0.000 0.429 358 P HA 0.139 nan 4.420 nan 0.000 0.267 358 P C 0.390 177.261 177.300 -0.715 0.000 1.201 358 P CA 0.085 62.769 63.100 -0.693 0.000 0.775 358 P CB 0.712 32.208 31.700 -0.341 0.000 0.854 359 K N 2.866 122.807 120.400 -0.765 0.000 1.967 359 K HA -0.124 4.196 4.320 0.000 0.000 0.212 359 K C 1.917 177.982 176.600 -0.892 0.000 1.044 359 K CA 1.194 56.672 56.287 -1.349 0.000 0.942 359 K CB -0.181 31.820 32.500 -0.831 0.000 0.726 359 K HN 0.201 nan 8.250 nan 0.000 0.440 360 R N 0.027 120.234 120.500 -0.487 0.000 2.119 360 R HA -0.144 4.196 4.340 0.000 0.000 0.246 360 R C -0.773 175.363 176.300 -0.273 0.000 1.146 360 R CA 1.847 57.758 56.100 -0.314 0.000 0.962 360 R CB -1.207 28.981 30.300 -0.187 0.000 0.863 360 R HN 0.364 nan 8.270 nan 0.000 0.442 361 P HA 0.050 nan 4.420 nan 0.000 0.225 361 P C 0.608 177.805 177.300 -0.171 0.000 1.156 361 P CA 1.088 64.082 63.100 -0.177 0.000 0.787 361 P CB 0.336 31.947 31.700 -0.149 0.000 0.802 362 S N -1.216 114.313 115.700 -0.286 0.000 2.503 362 S HA 0.138 4.608 4.470 0.000 0.000 0.215 362 S C 0.900 175.433 174.600 -0.111 0.000 1.003 362 S CA 0.029 58.135 58.200 -0.156 0.000 0.910 362 S CB -0.131 62.982 63.200 -0.145 0.000 0.790 362 S HN 0.023 nan 8.310 nan 0.000 0.514 363 V N -2.180 117.560 119.914 -0.289 0.000 3.130 363 V HA 0.875 4.995 4.120 0.000 0.000 0.310 363 V C -0.677 175.350 176.094 -0.111 0.000 1.158 363 V CA -1.162 61.010 62.300 -0.213 0.000 1.029 363 V CB 1.424 32.918 31.823 -0.549 0.000 1.057 363 V HN 0.125 nan 8.190 nan 0.000 0.436 364 c N 1.084 119.688 118.600 0.007 0.000 3.285 364 c HA 0.745 5.315 4.570 0.000 0.000 0.325 364 c C 0.987 175.138 174.090 0.102 0.000 1.304 364 c CA 0.562 56.914 56.329 0.037 0.000 1.319 364 c CB 1.708 44.233 42.510 0.026 0.000 1.640 364 c HN 1.411 nan 8.230 nan 0.000 0.477 365 T N 0.364 114.950 114.554 0.054 0.000 3.176 365 T HA 0.429 4.780 4.350 0.000 0.000 0.263 365 T C -0.082 174.604 174.700 -0.023 0.000 1.021 365 T CA -0.112 61.994 62.100 0.009 0.000 0.905 365 T CB -0.186 68.633 68.868 -0.082 0.000 1.057 365 T HN 0.523 nan 8.240 nan 0.000 0.558 366 M N 1.524 121.133 119.600 0.014 0.000 2.371 366 M HA 0.386 4.866 4.480 0.000 0.000 0.287 366 M C -1.296 175.092 176.300 0.148 0.000 1.149 366 M CA -0.246 55.082 55.300 0.047 0.000 0.929 366 M CB 2.389 34.987 32.600 -0.002 0.000 1.683 366 M HN -0.025 nan 8.290 nan 0.000 0.470 367 T N 2.058 116.718 114.554 0.176 0.000 2.797 367 T HA 0.328 4.678 4.350 0.000 0.000 0.279 367 T C -0.081 174.766 174.700 0.244 0.000 0.991 367 T CA -0.671 61.543 62.100 0.189 0.000 0.979 367 T CB 1.815 70.740 68.868 0.095 0.000 0.943 367 T HN 0.537 nan 8.240 nan 0.000 0.444 368 K N 1.891 122.411 120.400 0.199 0.000 2.484 368 K HA -0.009 4.311 4.320 0.000 0.000 0.280 368 K C -0.109 176.511 176.600 0.034 0.000 1.013 368 K CA 0.038 56.245 56.287 -0.133 0.000 1.029 368 K CB 0.367 32.800 32.500 -0.110 0.000 0.902 368 K HN 0.696 nan 8.250 nan 0.000 0.481 369 W N 3.029 124.175 121.300 -0.256 0.000 3.517 369 W HA 0.178 4.838 4.660 0.000 0.000 0.234 369 W C -0.481 175.977 176.519 -0.103 0.000 0.972 369 W CA 0.537 57.819 57.345 -0.106 0.000 2.002 369 W CB 0.742 30.189 29.460 -0.022 0.000 1.018 369 W HN 0.453 nan 8.180 nan 0.000 0.712 370 Q N 1.637 121.290 119.800 -0.245 0.000 2.263 370 Q HA 0.220 4.560 4.340 0.000 0.000 0.266 370 Q C -1.453 174.395 176.000 -0.254 0.000 1.002 370 Q CA -0.353 55.219 55.803 -0.385 0.000 0.790 370 Q CB 2.034 30.381 28.738 -0.652 0.000 1.272 370 Q HN 0.193 nan 8.270 nan 0.000 0.435 371 E N 1.722 121.812 120.200 -0.184 0.000 2.089 371 E HA 0.372 4.722 4.350 0.000 0.000 0.284 371 E C -0.620 175.924 176.600 -0.092 0.000 1.023 371 E CA -0.377 55.952 56.400 -0.119 0.000 0.819 371 E CB 1.504 31.159 29.700 -0.076 0.000 1.076 371 E HN 0.154 nan 8.360 nan 0.000 0.396 372 V N 4.313 124.191 119.914 -0.060 0.000 2.370 372 V HA 0.037 4.157 4.120 0.000 0.000 0.283 372 V C 0.269 176.385 176.094 0.036 0.000 1.023 372 V CA -0.480 61.806 62.300 -0.023 0.000 0.857 372 V CB 1.502 33.322 31.823 -0.005 0.000 0.985 372 V HN 0.642 nan 8.190 nan 0.000 0.443 373 D N 2.526 122.954 120.400 0.046 0.000 2.092 373 D HA -0.047 4.593 4.640 0.000 0.000 0.203 373 D C 0.717 177.132 176.300 0.192 0.000 0.978 373 D CA 1.272 55.343 54.000 0.117 0.000 0.861 373 D CB 0.155 40.983 40.800 0.046 0.000 1.005 373 D HN 0.683 nan 8.370 nan 0.000 0.450 374 E N 0.285 120.574 120.200 0.149 0.000 1.936 374 E HA 0.223 4.573 4.350 0.000 0.000 0.267 374 E C -0.522 176.180 176.600 0.169 0.000 1.076 374 E CA -0.301 56.207 56.400 0.180 0.000 0.870 374 E CB 0.681 30.460 29.700 0.133 0.000 1.093 374 E HN 0.039 nan 8.360 nan 0.000 0.411 375 M N 4.654 124.386 119.600 0.219 0.000 2.044 375 M HA 0.258 4.738 4.480 0.000 0.000 0.333 375 M C -1.668 174.878 176.300 0.411 0.000 1.004 375 M CA -0.425 55.062 55.300 0.312 0.000 0.954 375 M CB 0.377 33.209 32.600 0.388 0.000 1.468 375 M HN 0.337 nan 8.290 nan 0.000 0.414 376 L N 4.160 125.570 121.223 0.311 0.000 2.395 376 L HA 0.568 4.908 4.340 0.000 0.000 0.269 376 L C 0.241 177.255 176.870 0.239 0.000 1.133 376 L CA -0.479 54.543 54.840 0.303 0.000 0.812 376 L CB 0.892 43.098 42.059 0.245 0.000 1.125 376 L HN 0.685 nan 8.230 nan 0.000 0.452 377 R N 1.585 122.185 120.500 0.166 0.000 2.621 377 R HA 0.640 4.980 4.340 0.000 0.000 0.284 377 R C -1.414 174.840 176.300 -0.078 0.000 0.998 377 R CA -0.305 55.684 56.100 -0.186 0.000 0.895 377 R CB 2.166 32.145 30.300 -0.536 0.000 1.195 377 R HN 0.855 nan 8.270 nan 0.000 0.450 378 S N 1.647 117.244 115.700 -0.172 0.000 2.579 378 S HA 0.390 4.861 4.470 0.000 0.000 0.272 378 S C -1.338 173.165 174.600 -0.160 0.000 1.141 378 S CA -1.143 56.914 58.200 -0.238 0.000 0.843 378 S CB 1.956 64.752 63.200 -0.673 0.000 1.122 378 S HN 0.627 nan 8.310 nan 0.000 0.468 379 E N 0.692 120.745 120.200 -0.244 0.000 2.109 379 E HA 0.329 4.679 4.350 0.000 0.000 0.278 379 E C -1.813 174.639 176.600 -0.247 0.000 0.954 379 E CA -0.426 55.753 56.400 -0.367 0.000 0.779 379 E CB 1.071 30.480 29.700 -0.486 0.000 1.093 379 E HN 0.618 nan 8.360 nan 0.000 0.401 380 Y N 1.435 121.585 120.300 -0.250 0.000 2.748 380 Y HA 0.313 4.864 4.550 0.000 0.000 0.359 380 Y C 0.503 176.330 175.900 -0.123 0.000 1.030 380 Y CA -0.286 57.719 58.100 -0.159 0.000 1.169 380 Y CB 1.367 39.762 38.460 -0.109 0.000 1.127 380 Y HN 0.856 nan 8.280 nan 0.000 0.644 381 G N 1.361 110.101 108.800 -0.099 0.000 2.531 381 G HA2 0.079 4.039 3.960 0.000 0.000 0.283 381 G HA3 0.079 4.039 3.960 0.000 0.000 0.283 381 G C 0.935 175.806 174.900 -0.049 0.000 1.068 381 G CA 0.272 45.334 45.100 -0.062 0.000 1.273 381 G HN 1.551 nan 8.290 nan 0.000 0.532 382 G N -1.250 107.493 108.800 -0.095 0.000 2.212 382 G HA2 -0.020 3.940 3.960 0.000 0.000 0.266 382 G HA3 -0.020 3.940 3.960 0.000 0.000 0.266 382 G C 0.500 175.361 174.900 -0.065 0.000 0.978 382 G CA 0.907 45.964 45.100 -0.071 0.000 0.632 382 G HN 1.969 nan 8.290 nan 0.000 0.537 383 S N -0.286 115.365 115.700 -0.081 0.000 2.538 383 S HA 0.730 5.200 4.470 0.000 0.000 0.288 383 S C -0.671 173.855 174.600 -0.123 0.000 1.108 383 S CA -0.664 57.518 58.200 -0.031 0.000 0.971 383 S CB 1.524 64.758 63.200 0.057 0.000 1.041 383 S HN 0.311 nan 8.310 nan 0.000 0.483 384 F N 2.326 122.228 119.950 -0.080 0.000 2.418 384 F HA 0.434 4.961 4.527 0.000 0.000 0.341 384 F C 1.106 176.730 175.800 -0.294 0.000 1.120 384 F CA -0.083 57.735 58.000 -0.304 0.000 1.232 384 F CB 0.681 39.379 39.000 -0.504 0.000 1.175 384 F HN 0.316 nan 8.300 nan 0.000 0.569 385 R N 3.458 123.831 120.500 -0.210 0.000 2.473 385 R HA 0.372 4.712 4.340 0.000 0.000 0.303 385 R C -1.786 174.364 176.300 -0.250 0.000 1.002 385 R CA -0.619 55.416 56.100 -0.109 0.000 0.884 385 R CB 1.129 31.426 30.300 -0.006 0.000 1.173 385 R HN 0.369 nan 8.270 nan 0.000 0.464 386 F N 1.606 121.613 119.950 0.094 0.000 2.404 386 F HA 0.342 4.869 4.527 0.000 0.000 0.354 386 F C 0.742 176.647 175.800 0.175 0.000 1.122 386 F CA -0.609 57.435 58.000 0.073 0.000 1.080 386 F CB 1.750 40.747 39.000 -0.006 0.000 1.131 386 F HN 0.350 nan 8.300 nan 0.000 0.471 387 S N 1.139 117.028 115.700 0.315 0.000 2.532 387 S HA 0.709 5.179 4.470 0.000 0.000 0.301 387 S C -0.566 174.200 174.600 0.278 0.000 1.083 387 S CA -0.810 57.574 58.200 0.305 0.000 1.025 387 S CB 1.842 65.208 63.200 0.276 0.000 1.056 387 S HN 0.510 nan 8.310 nan 0.000 0.494 388 S N 0.818 116.643 115.700 0.208 0.000 2.640 388 S HA 0.359 4.829 4.470 0.000 0.000 0.320 388 S C -0.514 174.075 174.600 -0.018 0.000 1.097 388 S CA -0.673 57.575 58.200 0.079 0.000 1.092 388 S CB 0.553 63.742 63.200 -0.018 0.000 0.988 388 S HN 0.664 nan 8.310 nan 0.000 0.470 389 D N 3.630 124.100 120.400 0.117 0.000 2.363 389 D HA 0.173 4.813 4.640 0.000 0.000 0.220 389 D C 1.617 177.866 176.300 -0.085 0.000 0.994 389 D CA 0.760 54.830 54.000 0.117 0.000 0.890 389 D CB 0.191 41.095 40.800 0.173 0.000 0.906 389 D HN 0.569 nan 8.370 nan 0.000 0.530 390 A N -0.335 122.416 122.820 -0.115 0.000 2.267 390 A HA 0.226 4.546 4.320 0.000 0.000 0.213 390 A C 1.499 178.957 177.584 -0.211 0.000 1.192 390 A CA 0.174 52.132 52.037 -0.132 0.000 0.851 390 A CB 0.117 19.066 19.000 -0.084 0.000 0.881 390 A HN 0.228 nan 8.150 nan 0.000 0.494 391 I N -1.877 118.502 120.570 -0.319 0.000 4.541 391 I HA 0.054 4.224 4.170 0.000 0.000 0.337 391 I C 0.008 175.777 176.117 -0.579 0.000 1.338 391 I CA 0.037 61.116 61.300 -0.369 0.000 1.244 391 I CB 0.408 38.216 38.000 -0.320 0.000 1.417 391 I HN 0.048 nan 8.210 nan 0.000 0.501 392 S N 1.983 117.086 115.700 -0.996 0.000 3.608 392 S HA -0.134 4.336 4.470 0.000 0.000 0.382 392 S C 0.009 173.796 174.600 -1.355 0.000 0.945 392 S CA 0.811 57.865 58.200 -1.910 0.000 1.256 392 S CB -1.353 61.319 63.200 -0.881 0.000 0.913 392 S HN 0.568 nan 8.310 nan 0.000 0.518 393 T N 1.313 115.241 114.554 -1.043 0.000 2.933 393 T HA 0.614 4.964 4.350 0.000 0.000 0.305 393 T C -0.398 174.210 174.700 -0.153 0.000 1.092 393 T CA -0.555 61.261 62.100 -0.472 0.000 1.008 393 T CB 2.227 70.770 68.868 -0.542 0.000 1.102 393 T HN 0.137 nan 8.240 nan 0.000 0.469 394 T N 2.762 117.173 114.554 -0.239 0.000 2.949 394 T HA 0.566 4.916 4.350 0.000 0.000 0.300 394 T C -1.029 173.521 174.700 -0.250 0.000 0.988 394 T CA -0.447 61.606 62.100 -0.078 0.000 0.993 394 T CB 0.258 69.175 68.868 0.082 0.000 0.984 394 T HN 0.345 nan 8.240 nan 0.000 0.442 395 F N 1.666 121.676 119.950 0.099 0.000 2.399 395 F HA 0.558 5.085 4.527 0.000 0.000 0.334 395 F C 1.108 177.058 175.800 0.249 0.000 1.097 395 F CA -0.648 57.424 58.000 0.119 0.000 1.076 395 F CB 1.571 40.609 39.000 0.063 0.000 1.162 395 F HN 0.294 nan 8.300 nan 0.000 0.495 396 T N 1.120 115.932 114.554 0.431 0.000 2.792 396 T HA 0.569 4.919 4.350 0.000 0.000 0.280 396 T C -0.218 174.702 174.700 0.365 0.000 0.990 396 T CA -0.725 61.583 62.100 0.346 0.000 0.960 396 T CB 1.417 70.432 68.868 0.245 0.000 0.939 396 T HN 0.774 nan 8.240 nan 0.000 0.439 397 T N 1.058 115.837 114.554 0.375 0.000 2.841 397 T HA 0.514 4.864 4.350 0.000 0.000 0.296 397 T C -0.625 174.275 174.700 0.333 0.000 1.166 397 T CA -1.022 61.297 62.100 0.364 0.000 1.007 397 T CB 1.230 70.351 68.868 0.422 0.000 1.253 397 T HN 0.309 nan 8.240 nan 0.000 0.511 398 N N 0.808 119.704 118.700 0.326 0.000 2.371 398 N HA 0.218 4.958 4.740 0.000 0.000 0.243 398 N C 1.188 176.947 175.510 0.415 0.000 1.287 398 N CA -0.381 52.841 53.050 0.286 0.000 0.911 398 N CB 0.464 39.097 38.487 0.244 0.000 1.142 398 N HN 0.600 nan 8.380 nan 0.000 0.451 399 L N 0.086 121.479 121.223 0.283 0.000 2.622 399 L HA -0.009 4.332 4.340 0.000 0.000 0.233 399 L C 0.494 177.716 176.870 0.587 0.000 1.156 399 L CA 0.775 55.818 54.840 0.337 0.000 0.866 399 L CB -0.487 41.540 42.059 -0.053 0.000 0.980 399 L HN 0.382 nan 8.230 nan 0.000 0.448 400 T N -1.397 113.449 114.554 0.487 0.000 2.930 400 T HA 0.333 4.683 4.350 0.000 0.000 0.290 400 T C -0.078 174.838 174.700 0.360 0.000 1.052 400 T CA -0.787 61.545 62.100 0.388 0.000 1.017 400 T CB 2.134 71.127 68.868 0.208 0.000 1.137 400 T HN 0.010 nan 8.240 nan 0.000 0.511 401 E N 0.258 120.498 120.200 0.066 0.000 2.391 401 E HA 0.202 4.552 4.350 0.000 0.000 0.255 401 E C -1.220 175.405 176.600 0.043 0.000 1.187 401 E CA -0.414 55.867 56.400 -0.198 0.000 0.941 401 E CB 0.673 30.191 29.700 -0.302 0.000 1.010 401 E HN 0.571 nan 8.360 nan 0.000 0.458 402 Y N 1.475 121.738 120.300 -0.063 0.000 2.331 402 Y HA 0.296 4.846 4.550 0.000 0.000 0.338 402 Y C -2.375 173.502 175.900 -0.038 0.000 0.976 402 Y CA -2.667 55.429 58.100 -0.007 0.000 1.137 402 Y CB 1.203 39.681 38.460 0.029 0.000 1.172 402 Y HN 0.242 nan 8.280 nan 0.000 0.478 403 P HA 0.094 nan 4.420 nan 0.000 0.282 403 P C 0.064 177.213 177.300 -0.251 0.000 1.274 403 P CA -0.256 62.690 63.100 -0.257 0.000 0.770 403 P CB 1.177 32.717 31.700 -0.267 0.000 0.867 404 L N 2.125 123.264 121.223 -0.140 0.000 2.447 404 L HA -0.157 4.184 4.340 0.000 0.000 0.225 404 L C 2.016 178.813 176.870 -0.123 0.000 1.148 404 L CA 1.603 56.355 54.840 -0.147 0.000 0.808 404 L CB -1.408 40.470 42.059 -0.303 0.000 0.928 404 L HN 0.307 nan 8.230 nan 0.000 0.448 405 S N -0.863 114.755 115.700 -0.137 0.000 2.402 405 S HA -0.235 4.235 4.470 0.000 0.000 0.233 405 S C 2.073 176.613 174.600 -0.100 0.000 1.030 405 S CA 1.153 59.287 58.200 -0.111 0.000 1.003 405 S CB -0.312 62.822 63.200 -0.111 0.000 0.813 405 S HN 0.454 nan 8.310 nan 0.000 0.477 406 R N 0.930 121.346 120.500 -0.139 0.000 2.276 406 R HA 0.144 4.484 4.340 0.000 0.000 0.196 406 R C -0.412 175.894 176.300 0.009 0.000 0.961 406 R CA 0.095 56.139 56.100 -0.093 0.000 1.024 406 R CB 0.200 30.379 30.300 -0.201 0.000 0.940 406 R HN 0.198 nan 8.270 nan 0.000 0.480 407 V N 1.890 121.819 119.914 0.026 0.000 2.498 407 V HA 0.055 4.175 4.120 0.000 0.000 0.279 407 V C -0.270 175.822 176.094 -0.003 0.000 1.048 407 V CA -0.501 61.818 62.300 0.031 0.000 0.967 407 V CB 1.385 33.209 31.823 0.003 0.000 0.988 407 V HN 0.054 nan 8.190 nan 0.000 0.473 408 D N 3.600 124.010 120.400 0.017 0.000 2.225 408 D HA 0.456 5.096 4.640 0.000 0.000 0.248 408 D C 0.753 177.081 176.300 0.047 0.000 1.096 408 D CA -0.118 53.910 54.000 0.048 0.000 0.863 408 D CB 0.818 41.691 40.800 0.123 0.000 1.156 408 D HN 0.519 nan 8.370 nan 0.000 0.450 409 L N 2.366 123.600 121.223 0.019 0.000 4.367 409 L HA -0.239 4.101 4.340 0.000 0.000 0.424 409 L C 1.298 178.143 176.870 -0.043 0.000 1.152 409 L CA 0.642 55.474 54.840 -0.013 0.000 0.974 409 L CB -1.347 40.737 42.059 0.042 0.000 2.012 409 L HN 0.610 nan 8.230 nan 0.000 0.922 410 G N -0.916 107.845 108.800 -0.065 0.000 3.374 410 G HA2 0.106 4.066 3.960 0.000 0.000 0.252 410 G HA3 0.106 4.066 3.960 0.000 0.000 0.252 410 G C 0.728 175.540 174.900 -0.146 0.000 1.326 410 G CA 0.173 45.203 45.100 -0.116 0.000 1.133 410 G HN 0.343 nan 8.290 nan 0.000 0.528 411 D N 0.058 120.392 120.400 -0.109 0.000 2.310 411 D HA -0.112 4.529 4.640 0.000 0.000 0.212 411 D C 2.585 178.832 176.300 -0.088 0.000 0.965 411 D CA 1.039 54.977 54.000 -0.103 0.000 0.879 411 D CB -0.092 40.655 40.800 -0.088 0.000 0.921 411 D HN 0.547 nan 8.370 nan 0.000 0.510 412 c N -0.634 117.920 118.600 -0.076 0.000 2.468 412 c HA 0.185 4.755 4.570 0.000 0.000 0.277 412 c C 2.628 176.689 174.090 -0.048 0.000 1.400 412 c CA -0.503 55.813 56.329 -0.022 0.000 1.770 412 c CB -1.246 41.281 42.510 0.028 0.000 1.905 412 c HN 0.172 nan 8.230 nan 0.000 0.519 413 I N 2.611 123.042 120.570 -0.231 0.000 2.127 413 I HA -0.073 4.097 4.170 0.000 0.000 0.241 413 I C 3.012 178.963 176.117 -0.276 0.000 1.075 413 I CA 2.032 62.999 61.300 -0.555 0.000 1.334 413 I CB -1.170 36.390 38.000 -0.733 0.000 1.040 413 I HN 0.485 nan 8.210 nan 0.000 0.405 414 G N 0.996 109.680 108.800 -0.194 0.000 2.421 414 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 414 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 414 G C 1.744 176.688 174.900 0.072 0.000 1.171 414 G CA 0.626 45.716 45.100 -0.017 0.000 0.775 414 G HN 0.329 nan 8.290 nan 0.000 0.543 415 K N 0.351 120.776 120.400 0.041 0.000 2.001 415 K HA -0.056 4.264 4.320 0.000 0.000 0.208 415 K C 2.202 178.871 176.600 0.115 0.000 1.048 415 K CA 1.295 57.621 56.287 0.066 0.000 0.932 415 K CB -0.233 32.290 32.500 0.039 0.000 0.715 415 K HN 0.090 nan 8.250 nan 0.000 0.437 416 D N 0.867 121.363 120.400 0.161 0.000 2.158 416 D HA -0.170 4.470 4.640 0.000 0.000 0.197 416 D C 1.831 178.290 176.300 0.265 0.000 0.995 416 D CA 1.459 55.595 54.000 0.228 0.000 0.846 416 D CB -0.186 40.827 40.800 0.354 0.000 0.941 416 D HN 0.252 nan 8.370 nan 0.000 0.456 417 A N 0.991 124.025 122.820 0.357 0.000 1.854 417 A HA -0.140 4.180 4.320 0.000 0.000 0.214 417 A C 2.223 179.911 177.584 0.174 0.000 1.192 417 A CA 1.137 53.374 52.037 0.334 0.000 0.611 417 A CB -0.404 18.866 19.000 0.450 0.000 0.832 417 A HN 0.084 nan 8.150 nan 0.000 0.442 418 R N -0.216 120.371 120.500 0.145 0.000 2.083 418 R HA -0.147 4.193 4.340 0.000 0.000 0.237 418 R C 1.728 178.074 176.300 0.076 0.000 1.137 418 R CA 1.678 57.830 56.100 0.087 0.000 0.951 418 R CB -0.511 29.834 30.300 0.075 0.000 0.851 418 R HN 0.495 nan 8.270 nan 0.000 0.434 419 D N 0.404 120.855 120.400 0.084 0.000 2.117 419 D HA -0.116 4.525 4.640 0.000 0.000 0.197 419 D C 1.804 178.146 176.300 0.070 0.000 0.987 419 D CA 1.516 55.558 54.000 0.071 0.000 0.829 419 D CB -0.316 40.525 40.800 0.068 0.000 0.961 419 D HN 0.253 nan 8.370 nan 0.000 0.460 420 A N 0.366 123.233 122.820 0.077 0.000 1.933 420 A HA -0.135 4.186 4.320 0.000 0.000 0.218 420 A C 2.248 179.870 177.584 0.064 0.000 1.175 420 A CA 1.289 53.362 52.037 0.061 0.000 0.628 420 A CB -0.454 18.577 19.000 0.051 0.000 0.814 420 A HN 0.139 nan 8.150 nan 0.000 0.444 421 M N -0.711 118.929 119.600 0.068 0.000 2.134 421 M HA -0.095 4.385 4.480 0.000 0.000 0.262 421 M C 1.538 177.901 176.300 0.104 0.000 1.076 421 M CA 1.419 56.760 55.300 0.067 0.000 1.143 421 M CB -0.476 32.137 32.600 0.021 0.000 1.346 421 M HN 0.255 nan 8.290 nan 0.000 0.421 422 D N 0.146 120.598 120.400 0.085 0.000 2.190 422 D HA -0.200 4.440 4.640 0.000 0.000 0.200 422 D C 1.913 178.292 176.300 0.132 0.000 0.992 422 D CA 1.220 55.286 54.000 0.110 0.000 0.854 422 D CB -0.418 40.427 40.800 0.076 0.000 0.936 422 D HN 0.351 nan 8.370 nan 0.000 0.462 423 R N 0.271 120.830 120.500 0.098 0.000 2.090 423 R HA 0.005 4.345 4.340 0.000 0.000 0.228 423 R C 2.325 178.676 176.300 0.084 0.000 1.110 423 R CA 0.574 56.721 56.100 0.078 0.000 0.973 423 R CB -0.050 30.283 30.300 0.055 0.000 0.869 423 R HN 0.150 nan 8.270 nan 0.000 0.440 424 I N -0.002 120.634 120.570 0.110 0.000 2.277 424 I HA -0.192 3.978 4.170 0.000 0.000 0.243 424 I C 2.062 178.290 176.117 0.185 0.000 1.094 424 I CA 0.697 62.068 61.300 0.119 0.000 1.393 424 I CB -0.337 37.739 38.000 0.127 0.000 1.078 424 I HN 0.133 nan 8.210 nan 0.000 0.417 425 F N 2.338 122.357 119.950 0.114 0.000 2.091 425 F HA -0.254 4.273 4.527 0.000 0.000 0.299 425 F C 2.348 178.230 175.800 0.137 0.000 1.103 425 F CA 1.629 59.734 58.000 0.176 0.000 1.228 425 F CB -0.323 38.729 39.000 0.086 0.000 0.984 425 F HN 0.004 nan 8.300 nan 0.000 0.477 426 A N -0.200 122.655 122.820 0.059 0.000 2.239 426 A HA -0.047 4.273 4.320 0.000 0.000 0.209 426 A C 2.159 179.688 177.584 -0.093 0.000 1.171 426 A CA 1.066 53.069 52.037 -0.057 0.000 0.768 426 A CB -0.896 18.143 19.000 0.064 0.000 0.790 426 A HN 0.562 nan 8.150 nan 0.000 0.478 427 R N -0.383 120.061 120.500 -0.093 0.000 2.195 427 R HA 0.072 4.412 4.340 0.000 0.000 0.197 427 R C 1.787 177.988 176.300 -0.164 0.000 0.990 427 R CA 1.099 57.141 56.100 -0.097 0.000 1.048 427 R CB 0.089 30.353 30.300 -0.060 0.000 0.997 427 R HN 0.526 nan 8.270 nan 0.000 0.502 428 R N -2.972 117.374 120.500 -0.256 0.000 2.551 428 R HA 0.149 4.489 4.340 0.000 0.000 0.316 428 R C 0.288 176.302 176.300 -0.477 0.000 0.934 428 R CA -0.150 55.731 56.100 -0.365 0.000 1.117 428 R CB -0.180 29.853 30.300 -0.445 0.000 1.626 428 R HN 0.121 nan 8.270 nan 0.000 0.513 429 Y N 1.384 121.477 120.300 -0.344 0.000 2.483 429 Y HA 0.163 4.713 4.550 0.000 0.000 0.258 429 Y C 1.615 177.139 175.900 -0.626 0.000 1.083 429 Y CA 0.210 58.072 58.100 -0.395 0.000 1.283 429 Y CB 0.395 38.653 38.460 -0.336 0.000 1.178 429 Y HN 0.253 nan 8.280 nan 0.000 0.515 430 N N 1.112 119.356 118.700 -0.759 0.000 2.258 430 N HA -0.225 4.515 4.740 0.000 0.000 0.187 430 N C 1.506 176.931 175.510 -0.143 0.000 1.012 430 N CA 1.618 54.335 53.050 -0.556 0.000 0.870 430 N CB -0.262 38.029 38.487 -0.327 0.000 0.977 430 N HN 0.189 nan 8.380 nan 0.000 0.434 431 A N -0.958 121.804 122.820 -0.097 0.000 2.303 431 A HA 0.172 4.492 4.320 0.000 0.000 0.217 431 A C 1.985 179.589 177.584 0.032 0.000 1.205 431 A CA 0.724 52.750 52.037 -0.019 0.000 0.875 431 A CB -0.271 18.710 19.000 -0.032 0.000 0.910 431 A HN 0.547 nan 8.150 nan 0.000 0.501 432 T N -3.894 110.719 114.554 0.098 0.000 3.056 432 T HA 0.314 4.664 4.350 0.000 0.000 0.243 432 T C 0.678 175.467 174.700 0.149 0.000 0.995 432 T CA 0.412 62.616 62.100 0.173 0.000 1.091 432 T CB -0.117 68.960 68.868 0.347 0.000 0.990 432 T HN 0.340 nan 8.240 nan 0.000 0.464 433 H N -0.370 118.827 119.070 0.211 0.000 2.864 433 H HA 0.750 5.306 4.556 0.000 0.000 0.354 433 H C -0.872 174.641 175.328 0.308 0.000 1.208 433 H CA -1.267 54.928 56.048 0.246 0.000 1.191 433 H CB 1.143 31.053 29.762 0.246 0.000 1.889 433 H HN 0.085 nan 8.280 nan 0.000 0.574 434 I N 0.960 121.741 120.570 0.351 0.000 2.569 434 I HA 0.249 4.419 4.170 0.000 0.000 0.296 434 I C -0.276 175.929 176.117 0.147 0.000 1.028 434 I CA -0.920 60.529 61.300 0.248 0.000 1.082 434 I CB 1.724 39.837 38.000 0.188 0.000 1.264 434 I HN 0.421 nan 8.210 nan 0.000 0.429 435 K N 4.181 124.567 120.400 -0.023 0.000 2.312 435 K HA 0.345 4.666 4.320 0.000 0.000 0.287 435 K C -0.473 176.153 176.600 0.043 0.000 1.062 435 K CA -0.383 55.814 56.287 -0.151 0.000 0.934 435 K CB 1.130 33.395 32.500 -0.393 0.000 1.027 435 K HN 0.284 nan 8.250 nan 0.000 0.478 436 V N 3.626 123.533 119.914 -0.012 0.000 2.162 436 V HA 0.239 4.359 4.120 0.000 0.000 0.255 436 V C 0.784 176.759 176.094 -0.198 0.000 1.304 436 V CA 0.065 62.334 62.300 -0.051 0.000 1.198 436 V CB -0.738 31.020 31.823 -0.108 0.000 1.333 436 V HN 1.114 nan 8.190 nan 0.000 0.493 437 G N 3.524 112.251 108.800 -0.121 0.000 2.660 437 G HA2 -0.140 3.821 3.960 0.000 0.000 0.215 437 G HA3 -0.140 3.821 3.960 0.000 0.000 0.215 437 G C -0.580 174.252 174.900 -0.113 0.000 1.345 437 G CA -0.710 44.282 45.100 -0.180 0.000 0.877 437 G HN 0.459 nan 8.290 nan 0.000 0.549 438 Q N 0.248 119.989 119.800 -0.099 0.000 2.256 438 Q HA 0.481 4.821 4.340 0.000 0.000 0.232 438 Q C -2.063 173.857 176.000 -0.132 0.000 0.965 438 Q CA -1.313 54.437 55.803 -0.087 0.000 0.908 438 Q CB 0.535 29.249 28.738 -0.040 0.000 1.209 438 Q HN 0.386 nan 8.270 nan 0.000 0.489 439 P HA -0.024 nan 4.420 nan 0.000 0.268 439 P C -0.788 176.290 177.300 -0.370 0.000 1.205 439 P CA 0.354 63.295 63.100 -0.264 0.000 0.771 439 P CB 0.385 31.919 31.700 -0.277 0.000 0.858 440 Q N 1.524 121.082 119.800 -0.402 0.000 2.359 440 Q HA 0.584 4.924 4.340 0.000 0.000 0.275 440 Q C -1.252 174.347 176.000 -0.668 0.000 1.082 440 Q CA -0.879 54.667 55.803 -0.428 0.000 0.849 440 Q CB 1.429 30.020 28.738 -0.245 0.000 1.377 440 Q HN 0.357 nan 8.270 nan 0.000 0.452 441 Y N -0.031 120.089 120.300 -0.299 0.000 2.361 441 Y HA 0.458 5.008 4.550 0.000 0.000 0.337 441 Y C -1.340 174.358 175.900 -0.338 0.000 0.965 441 Y CA -0.814 57.166 58.100 -0.199 0.000 1.091 441 Y CB 1.634 40.044 38.460 -0.083 0.000 1.182 441 Y HN 0.520 nan 8.280 nan 0.000 0.450 442 Y N 2.986 123.345 120.300 0.098 0.000 2.376 442 Y HA 0.436 4.986 4.550 0.000 0.000 0.340 442 Y C -0.672 175.259 175.900 0.051 0.000 0.965 442 Y CA -1.200 56.949 58.100 0.082 0.000 1.078 442 Y CB 1.714 40.157 38.460 -0.028 0.000 1.193 442 Y HN 0.488 nan 8.280 nan 0.000 0.452 443 L N 3.993 125.359 121.223 0.239 0.000 2.342 443 L HA 0.672 5.012 4.340 0.000 0.000 0.285 443 L C 0.016 177.004 176.870 0.198 0.000 1.095 443 L CA -0.182 54.705 54.840 0.077 0.000 0.843 443 L CB -0.547 41.493 42.059 -0.032 0.000 1.201 443 L HN 0.697 nan 8.230 nan 0.000 0.445 444 A N 4.311 127.260 122.820 0.216 0.000 2.302 444 A HA 0.492 4.812 4.320 0.000 0.000 0.285 444 A C 0.026 177.840 177.584 0.383 0.000 1.105 444 A CA -0.745 51.485 52.037 0.322 0.000 0.816 444 A CB 0.127 19.330 19.000 0.337 0.000 1.067 444 A HN 0.771 nan 8.150 nan 0.000 0.489 445 N N 0.436 119.362 118.700 0.377 0.000 2.411 445 N HA 0.336 5.076 4.740 0.000 0.000 0.261 445 N C 1.090 176.912 175.510 0.521 0.000 1.248 445 N CA 1.641 54.892 53.050 0.335 0.000 0.885 445 N CB 0.793 39.437 38.487 0.261 0.000 1.062 445 N HN 1.212 nan 8.380 nan 0.000 0.471 446 G N 0.395 109.413 108.800 0.362 0.000 2.278 446 G HA2 -0.067 3.893 3.960 0.000 0.000 0.210 446 G HA3 -0.067 3.893 3.960 0.000 0.000 0.210 446 G C 0.506 175.505 174.900 0.164 0.000 1.000 446 G CA 0.117 45.513 45.100 0.493 0.000 0.635 446 G HN 1.361 nan 8.290 nan 0.000 0.495 447 G N -0.744 108.142 108.800 0.143 0.000 2.309 447 G HA2 0.105 4.065 3.960 0.000 0.000 0.183 447 G HA3 0.105 4.065 3.960 0.000 0.000 0.183 447 G C -0.142 174.556 174.900 -0.337 0.000 1.063 447 G CA 0.120 45.134 45.100 -0.142 0.000 0.768 447 G HN 1.198 nan 8.290 nan 0.000 0.490 448 F N -0.640 119.347 119.950 0.063 0.000 2.469 448 F HA 0.703 5.230 4.527 0.000 0.000 0.332 448 F C 0.266 176.040 175.800 -0.043 0.000 1.103 448 F CA -1.548 56.468 58.000 0.026 0.000 0.979 448 F CB 1.904 40.926 39.000 0.037 0.000 1.137 448 F HN 0.060 nan 8.300 nan 0.000 0.463 449 L N 5.266 126.569 121.223 0.135 0.000 2.264 449 L HA 0.513 4.853 4.340 0.000 0.000 0.287 449 L C -0.652 176.350 176.870 0.220 0.000 1.039 449 L CA -0.340 54.550 54.840 0.083 0.000 0.829 449 L CB -0.057 41.983 42.059 -0.031 0.000 1.211 449 L HN 0.440 nan 8.230 nan 0.000 0.427 450 I N 5.102 125.727 120.570 0.091 0.000 2.325 450 I HA 0.425 4.595 4.170 0.000 0.000 0.291 450 I C 0.453 176.645 176.117 0.125 0.000 1.019 450 I CA -0.401 60.895 61.300 -0.008 0.000 1.302 450 I CB 1.356 39.123 38.000 -0.388 0.000 1.401 450 I HN 0.729 nan 8.210 nan 0.000 0.485 451 A N 7.136 130.089 122.820 0.222 0.000 2.276 451 A HA 0.516 4.837 4.320 0.000 0.000 0.300 451 A C -1.201 176.405 177.584 0.037 0.000 1.235 451 A CA -0.160 51.929 52.037 0.087 0.000 0.867 451 A CB 0.296 19.498 19.000 0.337 0.000 1.137 451 A HN 0.622 nan 8.150 nan 0.000 0.527 452 Y N 1.159 121.332 120.300 -0.210 0.000 2.499 452 Y HA 0.582 5.132 4.550 0.000 0.000 0.347 452 Y C -0.347 175.473 175.900 -0.133 0.000 0.987 452 Y CA -0.784 57.246 58.100 -0.116 0.000 1.044 452 Y CB 2.373 40.820 38.460 -0.023 0.000 1.245 452 Y HN 0.631 nan 8.280 nan 0.000 0.461 453 Q N 6.914 126.332 119.800 -0.637 0.000 2.533 453 Q HA 0.487 4.827 4.340 0.000 0.000 0.251 453 Q C -2.949 172.652 176.000 -0.665 0.000 0.966 453 Q CA -2.429 53.074 55.803 -0.500 0.000 0.714 453 Q CB 1.603 30.133 28.738 -0.348 0.000 1.284 453 Q HN 0.293 nan 8.270 nan 0.000 0.478 454 P HA 0.097 nan 4.420 nan 0.000 0.267 454 P C -0.830 176.337 177.300 -0.222 0.000 1.200 454 P CA 0.248 63.183 63.100 -0.276 0.000 0.772 454 P CB 0.657 32.326 31.700 -0.052 0.000 0.855 455 L N 1.429 122.573 121.223 -0.132 0.000 2.277 455 L HA 0.709 5.049 4.340 0.000 0.000 0.254 455 L C -0.831 176.136 176.870 0.161 0.000 1.044 455 L CA -1.147 53.674 54.840 -0.031 0.000 0.842 455 L CB 1.721 43.657 42.059 -0.206 0.000 1.422 455 L HN 0.156 nan 8.230 nan 0.000 0.422 456 L N 0.375 121.770 121.223 0.287 0.000 2.528 456 L HA 0.403 4.743 4.340 0.000 0.000 0.267 456 L C -0.454 176.465 176.870 0.082 0.000 0.961 456 L CA 0.007 54.988 54.840 0.234 0.000 0.866 456 L CB 1.892 44.063 42.059 0.187 0.000 1.248 456 L HN 0.528 nan 8.230 nan 0.000 0.404 457 S N 3.391 118.986 115.700 -0.174 0.000 2.515 457 S HA 0.093 4.563 4.470 0.000 0.000 0.285 457 S C 1.212 175.690 174.600 -0.204 0.000 1.265 457 S CA -0.092 57.741 58.200 -0.611 0.000 1.079 457 S CB 0.134 63.084 63.200 -0.416 0.000 0.877 457 S HN 0.783 nan 8.310 nan 0.000 0.493 458 N N 4.005 122.608 118.700 -0.162 0.000 2.182 458 N HA -0.135 4.605 4.740 0.000 0.000 0.192 458 N C 1.668 177.160 175.510 -0.030 0.000 1.007 458 N CA 1.920 54.943 53.050 -0.045 0.000 0.873 458 N CB -1.030 37.443 38.487 -0.023 0.000 0.998 458 N HN 0.664 nan 8.380 nan 0.000 0.436 459 T N 0.447 114.973 114.554 -0.047 0.000 2.720 459 T HA -0.090 4.260 4.350 0.000 0.000 0.268 459 T C 1.717 176.418 174.700 0.000 0.000 1.037 459 T CA 1.680 63.769 62.100 -0.019 0.000 1.144 459 T CB -0.475 68.382 68.868 -0.018 0.000 0.864 459 T HN 0.397 nan 8.240 nan 0.000 0.444 460 L N 0.621 121.846 121.223 0.003 0.000 2.978 460 L HA 0.875 5.215 4.340 0.000 0.000 0.239 460 L C 2.239 179.140 176.870 0.052 0.000 1.293 460 L CA 0.401 55.259 54.840 0.030 0.000 1.085 460 L CB -1.761 40.322 42.059 0.040 0.000 1.432 460 L HN 0.439 nan 8.230 nan 0.000 0.512 461 A N -0.537 122.311 122.820 0.046 0.000 1.972 461 A HA -0.142 4.178 4.320 0.000 0.000 0.219 461 A C 2.133 179.779 177.584 0.103 0.000 1.169 461 A CA 1.650 53.731 52.037 0.074 0.000 0.635 461 A CB -0.178 18.843 19.000 0.036 0.000 0.810 461 A HN 0.713 nan 8.150 nan 0.000 0.446 462 E N 0.508 120.753 120.200 0.074 0.000 2.114 462 E HA -0.216 4.134 4.350 0.000 0.000 0.199 462 E C 1.608 178.273 176.600 0.108 0.000 1.008 462 E CA 1.473 57.919 56.400 0.077 0.000 0.810 462 E CB -0.551 29.181 29.700 0.053 0.000 0.739 462 E HN 0.674 nan 8.360 nan 0.000 0.456 463 L N 0.230 121.516 121.223 0.104 0.000 2.633 463 L HA -0.099 4.241 4.340 0.000 0.000 0.235 463 L C 1.886 178.829 176.870 0.122 0.000 1.163 463 L CA 0.303 55.199 54.840 0.095 0.000 0.859 463 L CB -0.547 41.556 42.059 0.073 0.000 0.973 463 L HN 0.189 nan 8.230 nan 0.000 0.451 464 Y N 1.394 121.725 120.300 0.051 0.000 1.993 464 Y HA -0.370 4.180 4.550 0.000 0.000 0.267 464 Y C 2.465 178.416 175.900 0.085 0.000 1.155 464 Y CA 2.477 60.618 58.100 0.069 0.000 1.105 464 Y CB -0.460 38.034 38.460 0.056 0.000 0.960 464 Y HN -0.105 nan 8.280 nan 0.000 0.486 465 V N 0.834 120.865 119.914 0.196 0.000 2.324 465 V HA -0.360 3.761 4.120 0.000 0.000 0.250 465 V C 2.395 178.492 176.094 0.005 0.000 1.060 465 V CA 2.387 64.732 62.300 0.075 0.000 1.042 465 V CB -0.993 30.901 31.823 0.118 0.000 0.650 465 V HN 0.368 nan 8.190 nan 0.000 0.450 466 R N 0.668 121.185 120.500 0.028 0.000 2.096 466 R HA -0.174 4.166 4.340 0.000 0.000 0.235 466 R C 2.055 178.355 176.300 -0.000 0.000 1.127 466 R CA 1.944 58.056 56.100 0.019 0.000 0.968 466 R CB -0.456 29.863 30.300 0.031 0.000 0.861 466 R HN 0.531 nan 8.270 nan 0.000 0.440 467 E N -1.391 118.791 120.200 -0.029 0.000 2.140 467 E HA -0.075 4.275 4.350 0.000 0.000 0.191 467 E C 1.669 178.215 176.600 -0.089 0.000 0.973 467 E CA 1.147 57.520 56.400 -0.044 0.000 0.829 467 E CB -0.242 29.438 29.700 -0.034 0.000 0.781 467 E HN 0.606 nan 8.360 nan 0.000 0.466 468 H N -0.725 118.158 119.070 -0.311 0.000 2.387 468 H HA -0.127 4.429 4.556 0.000 0.000 0.299 468 H C 1.848 177.088 175.328 -0.147 0.000 1.099 468 H CA 1.622 57.474 56.048 -0.326 0.000 1.315 468 H CB 0.003 29.436 29.762 -0.549 0.000 1.380 468 H HN 0.192 nan 8.280 nan 0.000 0.513 469 L N 0.774 122.044 121.223 0.078 0.000 2.141 469 L HA -0.055 4.285 4.340 0.000 0.000 0.209 469 L C 2.404 179.291 176.870 0.028 0.000 1.094 469 L CA 1.489 56.370 54.840 0.069 0.000 0.763 469 L CB -0.584 41.504 42.059 0.048 0.000 0.908 469 L HN 0.218 nan 8.230 nan 0.000 0.437 470 R N -1.016 119.490 120.500 0.010 0.000 2.189 470 R HA -0.082 4.259 4.340 0.000 0.000 0.218 470 R C 1.642 177.960 176.300 0.031 0.000 1.074 470 R CA 0.882 56.996 56.100 0.024 0.000 0.991 470 R CB 0.153 30.468 30.300 0.025 0.000 0.883 470 R HN 0.388 nan 8.270 nan 0.000 0.457 471 E N 0.046 120.230 120.200 -0.027 0.000 2.102 471 E HA -0.087 4.263 4.350 0.000 0.000 0.190 471 E C 2.090 178.668 176.600 -0.038 0.000 0.971 471 E CA 1.259 57.637 56.400 -0.037 0.000 0.821 471 E CB -0.374 29.241 29.700 -0.143 0.000 0.777 471 E HN 0.500 nan 8.360 nan 0.000 0.460 472 Q N 1.049 120.805 119.800 -0.074 0.000 2.541 472 Q HA -0.024 4.316 4.340 0.000 0.000 0.215 472 Q C 1.956 177.970 176.000 0.022 0.000 0.977 472 Q CA 1.423 57.211 55.803 -0.025 0.000 0.934 472 Q CB -0.923 27.824 28.738 0.015 0.000 0.988 472 Q HN 0.220 nan 8.270 nan 0.000 0.521 473 S N -0.310 115.413 115.700 0.039 0.000 2.515 473 S HA -0.093 4.377 4.470 0.000 0.000 0.231 473 S C 1.608 176.260 174.600 0.087 0.000 0.987 473 S CA 0.966 59.203 58.200 0.061 0.000 0.936 473 S CB -0.089 63.151 63.200 0.068 0.000 0.766 473 S HN 0.801 nan 8.310 nan 0.000 0.528 474 R N -0.006 120.555 120.500 0.101 0.000 2.509 474 R HA 0.284 4.624 4.340 0.000 0.000 0.297 474 R C 0.596 176.941 176.300 0.075 0.000 0.951 474 R CA 0.257 56.444 56.100 0.146 0.000 1.103 474 R CB 0.042 30.507 30.300 0.275 0.000 1.283 474 R HN 0.303 nan 8.270 nan 0.000 0.534 475 K N 2.593 123.012 120.400 0.032 0.000 2.397 475 K HA 0.192 4.512 4.320 0.000 0.000 0.265 475 K C -2.087 174.515 176.600 0.003 0.000 0.982 475 K CA -0.974 55.312 56.287 -0.001 0.000 0.931 475 K CB -0.810 31.689 32.500 -0.002 0.000 0.943 475 K HN -0.127 nan 8.250 nan 0.000 0.501 493 E N 3.922 124.142 120.200 0.034 0.000 2.359 493 E HA 0.735 5.085 4.350 0.000 0.000 0.266 493 E C -0.678 175.940 176.600 0.031 0.000 0.920 493 E CA -0.953 55.467 56.400 0.033 0.000 0.788 493 E CB 2.446 32.166 29.700 0.034 0.000 1.279 493 E HN 0.638 nan 8.360 nan 0.000 0.438 494 R N 1.234 121.719 120.500 -0.026 0.000 2.608 494 R HA 0.534 4.874 4.340 0.000 0.000 0.255 494 R C -0.161 176.100 176.300 -0.066 0.000 1.086 494 R CA -0.729 55.330 56.100 -0.069 0.000 1.125 494 R CB 0.756 30.949 30.300 -0.179 0.000 1.193 494 R HN 0.441 nan 8.270 nan 0.000 0.553 495 I N 1.428 121.931 120.570 -0.113 0.000 2.359 495 I HA 0.248 4.418 4.170 0.000 0.000 0.294 495 I C 0.055 176.082 176.117 -0.150 0.000 0.987 495 I CA -0.566 60.648 61.300 -0.143 0.000 1.225 495 I CB 1.569 39.438 38.000 -0.219 0.000 1.366 495 I HN 0.301 nan 8.210 nan 0.000 0.466 496 K N 3.906 124.224 120.400 -0.136 0.000 2.090 496 K HA 0.685 5.005 4.320 0.000 0.000 0.249 496 K C -0.759 175.722 176.600 -0.198 0.000 0.995 496 K CA -0.632 55.569 56.287 -0.144 0.000 0.914 496 K CB 1.497 33.934 32.500 -0.104 0.000 1.057 496 K HN 0.497 nan 8.250 nan 0.000 0.462 497 T N 0.595 115.018 114.554 -0.219 0.000 3.105 497 T HA 0.156 4.506 4.350 0.000 0.000 0.321 497 T C -0.372 174.194 174.700 -0.223 0.000 1.135 497 T CA -0.963 60.942 62.100 -0.325 0.000 1.053 497 T CB 1.558 70.141 68.868 -0.475 0.000 1.133 497 T HN 0.769 nan 8.240 nan 0.000 0.463 498 T N -0.001 114.456 114.554 -0.162 0.000 2.726 498 T HA 0.323 4.673 4.350 0.000 0.000 0.294 498 T C 1.087 175.761 174.700 -0.044 0.000 1.013 498 T CA -0.447 61.625 62.100 -0.047 0.000 0.996 498 T CB 0.629 69.533 68.868 0.059 0.000 1.016 498 T HN 0.361 nan 8.240 nan 0.000 0.529 499 S N -0.154 115.549 115.700 0.005 0.000 2.511 499 S HA 0.209 4.679 4.470 0.000 0.000 0.214 499 S C 0.969 175.619 174.600 0.083 0.000 0.997 499 S CA -0.281 57.920 58.200 0.002 0.000 0.908 499 S CB 0.230 63.425 63.200 -0.009 0.000 0.803 499 S HN 0.798 nan 8.310 nan 0.000 0.504 500 S N 1.894 117.690 115.700 0.160 0.000 2.464 500 S HA 0.331 4.801 4.470 0.000 0.000 0.313 500 S C 0.349 175.157 174.600 0.346 0.000 1.078 500 S CA -0.545 57.785 58.200 0.217 0.000 1.096 500 S CB -0.036 63.285 63.200 0.202 0.000 1.032 500 S HN 0.238 nan 8.310 nan 0.000 0.498 501 I N 4.873 125.573 120.570 0.216 0.000 3.680 501 I HA 0.185 4.355 4.170 0.000 0.000 0.306 501 I C 1.458 177.471 176.117 -0.173 0.000 1.260 501 I CA 0.428 61.756 61.300 0.046 0.000 1.201 501 I CB -0.303 37.822 38.000 0.209 0.000 1.009 501 I HN 0.596 nan 8.210 nan 0.000 0.467 502 E N 0.637 120.849 120.200 0.019 0.000 2.106 502 E HA -0.245 4.105 4.350 0.000 0.000 0.192 502 E C 2.062 178.639 176.600 -0.039 0.000 0.984 502 E CA 1.576 57.977 56.400 0.001 0.000 0.806 502 E CB -0.781 28.967 29.700 0.079 0.000 0.750 502 E HN 0.706 nan 8.360 nan 0.000 0.458 503 F N 0.961 120.910 119.950 -0.003 0.000 2.171 503 F HA 0.022 4.549 4.527 0.000 0.000 0.300 503 F C 2.311 178.079 175.800 -0.053 0.000 1.090 503 F CA 0.975 58.964 58.000 -0.018 0.000 1.293 503 F CB -0.758 38.245 39.000 0.005 0.000 1.013 503 F HN -0.040 nan 8.300 nan 0.000 0.486 504 A N 1.134 123.360 122.820 -0.989 0.000 2.015 504 A HA -0.065 4.255 4.320 0.000 0.000 0.219 504 A C 2.334 179.677 177.584 -0.402 0.000 1.163 504 A CA 1.177 52.742 52.037 -0.786 0.000 0.646 504 A CB -0.640 17.609 19.000 -1.251 0.000 0.806 504 A HN 0.514 nan 8.150 nan 0.000 0.448 505 R N -0.549 119.767 120.500 -0.307 0.000 2.093 505 R HA 0.122 4.462 4.340 0.000 0.000 0.224 505 R C 1.929 178.230 176.300 0.002 0.000 1.101 505 R CA 0.988 56.993 56.100 -0.159 0.000 0.979 505 R CB -0.460 29.741 30.300 -0.165 0.000 0.877 505 R HN 0.460 nan 8.270 nan 0.000 0.441 506 L N 0.731 121.950 121.223 -0.007 0.000 1.994 506 L HA -0.203 4.138 4.340 0.000 0.000 0.208 506 L C 2.694 179.623 176.870 0.098 0.000 1.071 506 L CA 1.247 56.118 54.840 0.051 0.000 0.745 506 L CB -0.536 41.541 42.059 0.031 0.000 0.892 506 L HN 0.105 nan 8.230 nan 0.000 0.431 507 Q N 0.109 119.947 119.800 0.063 0.000 2.096 507 Q HA -0.284 4.056 4.340 0.000 0.000 0.208 507 Q C 2.026 178.093 176.000 0.110 0.000 0.993 507 Q CA 2.215 58.067 55.803 0.081 0.000 0.862 507 Q CB -0.601 28.165 28.738 0.046 0.000 0.915 507 Q HN 0.442 nan 8.270 nan 0.000 0.416 508 F N -0.113 119.801 119.950 -0.059 0.000 2.069 508 F HA -0.230 4.297 4.527 0.000 0.000 0.298 508 F C 1.985 177.785 175.800 0.000 0.000 1.113 508 F CA 2.118 60.086 58.000 -0.053 0.000 1.214 508 F CB -0.650 38.272 39.000 -0.129 0.000 0.978 508 F HN 0.070 nan 8.300 nan 0.000 0.474 509 T N -0.117 114.582 114.554 0.241 0.000 2.643 509 T HA -0.275 4.075 4.350 0.000 0.000 0.264 509 T C 1.538 176.278 174.700 0.066 0.000 1.045 509 T CA 1.834 64.017 62.100 0.138 0.000 1.155 509 T CB -1.056 67.905 68.868 0.155 0.000 0.863 509 T HN 0.513 nan 8.240 nan 0.000 0.420 510 Y N 2.935 123.228 120.300 -0.011 0.000 2.014 510 Y HA -0.318 4.232 4.550 0.000 0.000 0.272 510 Y C 2.326 178.193 175.900 -0.055 0.000 1.164 510 Y CA 1.928 60.014 58.100 -0.023 0.000 1.114 510 Y CB -0.569 37.880 38.460 -0.019 0.000 0.961 510 Y HN 0.122 nan 8.280 nan 0.000 0.489 511 N N -0.654 118.056 118.700 0.017 0.000 2.137 511 N HA -0.250 4.490 4.740 0.000 0.000 0.190 511 N C 1.670 177.048 175.510 -0.220 0.000 1.017 511 N CA 1.823 54.797 53.050 -0.127 0.000 0.859 511 N CB -0.774 37.658 38.487 -0.091 0.000 1.002 511 N HN 0.596 nan 8.380 nan 0.000 0.428 512 H N 0.246 119.105 119.070 -0.352 0.000 2.299 512 H HA 0.133 4.689 4.556 0.000 0.000 0.302 512 H C 2.012 177.203 175.328 -0.229 0.000 1.078 512 H CA 1.526 57.355 56.048 -0.366 0.000 1.323 512 H CB -0.154 29.312 29.762 -0.493 0.000 1.381 512 H HN 0.131 nan 8.280 nan 0.000 0.498 513 I N 0.100 120.594 120.570 -0.126 0.000 2.202 513 I HA -0.259 3.911 4.170 0.000 0.000 0.242 513 I C 2.657 178.649 176.117 -0.208 0.000 1.091 513 I CA 1.441 62.661 61.300 -0.133 0.000 1.368 513 I CB -0.472 37.472 38.000 -0.094 0.000 1.058 513 I HN 0.448 nan 8.210 nan 0.000 0.410 514 Q N 1.367 120.929 119.800 -0.397 0.000 2.062 514 Q HA -0.305 4.035 4.340 0.000 0.000 0.209 514 Q C 2.507 178.366 176.000 -0.236 0.000 0.996 514 Q CA 1.917 57.470 55.803 -0.417 0.000 0.859 514 Q CB -0.263 28.086 28.738 -0.648 0.000 0.920 514 Q HN 0.268 nan 8.270 nan 0.000 0.415 515 R N -0.449 119.919 120.500 -0.219 0.000 2.091 515 R HA -0.222 4.118 4.340 0.000 0.000 0.238 515 R C 2.088 178.309 176.300 -0.131 0.000 1.136 515 R CA 2.286 58.293 56.100 -0.155 0.000 0.959 515 R CB -0.770 29.429 30.300 -0.169 0.000 0.856 515 R HN 0.523 nan 8.270 nan 0.000 0.437 516 H N 0.406 119.326 119.070 -0.249 0.000 2.293 516 H HA -0.100 4.456 4.556 0.000 0.000 0.300 516 H C 2.076 177.319 175.328 -0.143 0.000 1.082 516 H CA 2.705 58.627 56.048 -0.210 0.000 1.308 516 H CB -0.270 29.348 29.762 -0.240 0.000 1.375 516 H HN 0.080 nan 8.280 nan 0.000 0.495 517 V N -0.518 119.300 119.914 -0.160 0.000 2.358 517 V HA -0.213 3.907 4.120 0.000 0.000 0.246 517 V C 1.999 177.989 176.094 -0.174 0.000 1.047 517 V CA 2.028 64.219 62.300 -0.182 0.000 1.035 517 V CB -0.615 31.149 31.823 -0.098 0.000 0.658 517 V HN 0.379 nan 8.190 nan 0.000 0.452 518 N N 1.109 119.725 118.700 -0.141 0.000 2.061 518 N HA -0.221 4.519 4.740 0.000 0.000 0.193 518 N C 1.711 177.156 175.510 -0.109 0.000 1.030 518 N CA 2.224 55.211 53.050 -0.104 0.000 0.856 518 N CB -0.722 37.718 38.487 -0.078 0.000 1.023 518 N HN 0.756 nan 8.380 nan 0.000 0.424 519 D N 0.475 120.792 120.400 -0.138 0.000 2.078 519 D HA -0.085 4.555 4.640 0.000 0.000 0.193 519 D C 1.960 178.170 176.300 -0.149 0.000 0.990 519 D CA 1.020 54.943 54.000 -0.128 0.000 0.827 519 D CB -0.077 40.643 40.800 -0.133 0.000 0.975 519 D HN -0.012 nan 8.370 nan 0.000 0.451 520 M N 0.018 119.472 119.600 -0.243 0.000 2.080 520 M HA -0.123 4.357 4.480 0.000 0.000 0.260 520 M C 2.590 178.811 176.300 -0.132 0.000 1.068 520 M CA 1.029 56.200 55.300 -0.215 0.000 1.109 520 M CB -1.116 31.287 32.600 -0.328 0.000 1.342 520 M HN 0.168 nan 8.290 nan 0.000 0.405 521 L N -0.764 120.381 121.223 -0.130 0.000 2.093 521 L HA -0.112 4.228 4.340 0.000 0.000 0.208 521 L C 2.674 179.505 176.870 -0.065 0.000 1.085 521 L CA 1.184 55.969 54.840 -0.091 0.000 0.755 521 L CB -1.344 40.660 42.059 -0.092 0.000 0.904 521 L HN 0.390 nan 8.230 nan 0.000 0.435 522 G N 0.113 108.875 108.800 -0.064 0.000 2.469 522 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 522 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 522 G C 1.727 176.614 174.900 -0.022 0.000 1.150 522 G CA 0.638 45.715 45.100 -0.038 0.000 0.763 522 G HN 0.315 nan 8.290 nan 0.000 0.561 523 R N -0.329 120.152 120.500 -0.032 0.000 2.120 523 R HA 0.003 4.343 4.340 0.000 0.000 0.234 523 R C 2.605 178.910 176.300 0.010 0.000 1.123 523 R CA 1.031 57.122 56.100 -0.015 0.000 0.975 523 R CB -0.351 29.932 30.300 -0.028 0.000 0.866 523 R HN 0.346 nan 8.270 nan 0.000 0.446 524 V N 0.777 120.693 119.914 0.004 0.000 2.323 524 V HA -0.158 3.962 4.120 0.000 0.000 0.244 524 V C 2.442 178.587 176.094 0.084 0.000 1.041 524 V CA 1.807 64.130 62.300 0.039 0.000 1.025 524 V CB -0.666 31.155 31.823 -0.004 0.000 0.656 524 V HN 0.361 nan 8.190 nan 0.000 0.451 525 A N 0.004 122.844 122.820 0.034 0.000 1.940 525 A HA -0.197 4.123 4.320 0.000 0.000 0.219 525 A C 2.204 179.857 177.584 0.115 0.000 1.176 525 A CA 2.015 54.085 52.037 0.055 0.000 0.631 525 A CB -0.533 18.471 19.000 0.006 0.000 0.814 525 A HN 0.502 nan 8.150 nan 0.000 0.446 526 I N -0.631 119.983 120.570 0.074 0.000 2.133 526 I HA -0.247 3.923 4.170 0.000 0.000 0.238 526 I C 3.048 179.213 176.117 0.080 0.000 1.074 526 I CA 1.065 62.404 61.300 0.064 0.000 1.342 526 I CB -0.485 37.534 38.000 0.031 0.000 1.053 526 I HN 0.361 nan 8.210 nan 0.000 0.404 527 A N 0.909 123.776 122.820 0.078 0.000 1.883 527 A HA -0.282 4.038 4.320 0.000 0.000 0.217 527 A C 2.282 179.924 177.584 0.097 0.000 1.186 527 A CA 1.661 53.736 52.037 0.063 0.000 0.624 527 A CB -1.324 17.709 19.000 0.056 0.000 0.822 527 A HN 0.758 nan 8.150 nan 0.000 0.444 528 W N 0.088 121.378 121.300 -0.016 0.000 2.342 528 W HA -0.252 4.408 4.660 0.000 0.000 0.297 528 W C 2.341 178.858 176.519 -0.004 0.000 1.213 528 W CA 1.835 59.174 57.345 -0.009 0.000 1.251 528 W CB -0.679 28.773 29.460 -0.013 0.000 1.136 528 W HN 0.450 nan 8.180 nan 0.000 0.526 529 c N 1.518 120.220 118.600 0.169 0.000 2.476 529 c HA -0.118 4.452 4.570 0.000 0.000 0.278 529 c C 2.535 176.611 174.090 -0.024 0.000 1.274 529 c CA 1.760 58.130 56.329 0.068 0.000 1.713 529 c CB -1.047 41.533 42.510 0.116 0.000 2.039 529 c HN 0.381 nan 8.230 nan 0.000 0.484 530 E N 0.202 120.399 120.200 -0.005 0.000 2.085 530 E HA -0.265 4.085 4.350 0.000 0.000 0.194 530 E C 1.931 178.513 176.600 -0.031 0.000 0.994 530 E CA 1.480 57.872 56.400 -0.014 0.000 0.801 530 E CB -0.375 29.313 29.700 -0.020 0.000 0.743 530 E HN 0.607 nan 8.360 nan 0.000 0.453 531 L N 1.291 122.457 121.223 -0.094 0.000 2.046 531 L HA -0.226 4.114 4.340 0.000 0.000 0.208 531 L C 2.146 178.963 176.870 -0.088 0.000 1.077 531 L CA 1.700 56.478 54.840 -0.103 0.000 0.747 531 L CB -0.310 41.628 42.059 -0.201 0.000 0.896 531 L HN 0.003 nan 8.230 nan 0.000 0.432 532 Q N 0.098 119.769 119.800 -0.216 0.000 2.045 532 Q HA -0.204 4.136 4.340 0.000 0.000 0.206 532 Q C 2.074 178.029 176.000 -0.075 0.000 0.991 532 Q CA 1.972 57.655 55.803 -0.199 0.000 0.851 532 Q CB -1.051 27.543 28.738 -0.241 0.000 0.911 532 Q HN 0.592 nan 8.270 nan 0.000 0.418 533 N N 0.250 118.929 118.700 -0.034 0.000 2.104 533 N HA -0.183 4.557 4.740 0.000 0.000 0.190 533 N C 1.738 177.273 175.510 0.042 0.000 1.024 533 N CA 1.559 54.612 53.050 0.005 0.000 0.853 533 N CB -0.775 37.724 38.487 0.019 0.000 1.008 533 N HN 0.462 nan 8.380 nan 0.000 0.424 534 H N 1.208 120.257 119.070 -0.035 0.000 2.352 534 H HA -0.032 4.524 4.556 0.000 0.000 0.299 534 H C 1.311 176.641 175.328 0.003 0.000 1.097 534 H CA 1.621 57.658 56.048 -0.018 0.000 1.311 534 H CB 0.159 29.901 29.762 -0.033 0.000 1.377 534 H HN 0.149 nan 8.280 nan 0.000 0.504 535 E N 0.021 120.248 120.200 0.045 0.000 2.427 535 E HA -0.088 4.262 4.350 0.000 0.000 0.196 535 E C 2.196 178.879 176.600 0.137 0.000 1.028 535 E CA 0.256 56.692 56.400 0.060 0.000 0.864 535 E CB -0.171 29.604 29.700 0.125 0.000 0.813 535 E HN 0.409 nan 8.360 nan 0.000 0.514 536 L N 1.278 122.546 121.223 0.076 0.000 2.079 536 L HA -0.123 4.217 4.340 0.000 0.000 0.210 536 L C 2.010 178.954 176.870 0.124 0.000 1.081 536 L CA 1.759 56.663 54.840 0.107 0.000 0.752 536 L CB -0.963 41.120 42.059 0.039 0.000 0.896 536 L HN -0.028 nan 8.230 nan 0.000 0.433 537 T N -0.173 114.393 114.554 0.019 0.000 2.849 537 T HA -0.139 4.211 4.350 0.000 0.000 0.270 537 T C 1.869 176.568 174.700 -0.003 0.000 1.066 537 T CA 1.589 63.682 62.100 -0.011 0.000 1.130 537 T CB -0.193 68.615 68.868 -0.100 0.000 0.864 537 T HN 0.333 nan 8.240 nan 0.000 0.481 538 L N -1.680 119.535 121.223 -0.013 0.000 2.162 538 L HA 0.072 4.412 4.340 0.000 0.000 0.205 538 L C 2.182 179.006 176.870 -0.076 0.000 1.086 538 L CA 0.944 55.737 54.840 -0.077 0.000 0.778 538 L CB -0.467 41.505 42.059 -0.145 0.000 0.928 538 L HN 0.344 nan 8.230 nan 0.000 0.446 539 W N 0.625 121.916 121.300 -0.016 0.000 2.584 539 W HA -0.037 4.623 4.660 0.000 0.000 0.264 539 W C 2.336 178.949 176.519 0.155 0.000 1.264 539 W CA 0.274 57.638 57.345 0.032 0.000 1.306 539 W CB -0.245 29.165 29.460 -0.083 0.000 1.110 539 W HN 0.146 nan 8.180 nan 0.000 0.606 540 N N 0.184 119.070 118.700 0.310 0.000 2.331 540 N HA -0.122 4.618 4.740 0.000 0.000 0.180 540 N C 1.389 176.973 175.510 0.124 0.000 1.019 540 N CA 1.119 54.307 53.050 0.230 0.000 0.881 540 N CB -0.214 38.364 38.487 0.153 0.000 0.972 540 N HN 0.209 nan 8.380 nan 0.000 0.435 541 E N 0.292 120.535 120.200 0.071 0.000 2.340 541 E HA 0.158 4.508 4.350 0.000 0.000 0.194 541 E C 1.720 178.326 176.600 0.009 0.000 0.996 541 E CA 0.092 56.505 56.400 0.021 0.000 0.869 541 E CB 0.013 29.704 29.700 -0.015 0.000 0.835 541 E HN 0.240 nan 8.360 nan 0.000 0.493 542 A N 2.348 125.172 122.820 0.007 0.000 1.873 542 A HA -0.211 4.109 4.320 0.000 0.000 0.215 542 A C 2.180 179.797 177.584 0.055 0.000 1.186 542 A CA 1.709 53.723 52.037 -0.037 0.000 0.616 542 A CB -0.551 18.336 19.000 -0.189 0.000 0.823 542 A HN 0.260 nan 8.150 nan 0.000 0.442 543 R N -0.160 120.433 120.500 0.155 0.000 2.285 543 R HA -0.003 4.337 4.340 0.000 0.000 0.213 543 R C 1.649 177.986 176.300 0.060 0.000 1.068 543 R CA 1.385 57.570 56.100 0.142 0.000 1.004 543 R CB -0.313 30.087 30.300 0.167 0.000 0.873 543 R HN 0.434 nan 8.270 nan 0.000 0.467 544 K N 1.133 121.558 120.400 0.041 0.000 2.025 544 K HA -0.035 4.285 4.320 0.000 0.000 0.207 544 K C 2.087 178.696 176.600 0.015 0.000 1.049 544 K CA 1.550 57.847 56.287 0.018 0.000 0.933 544 K CB -0.152 32.354 32.500 0.010 0.000 0.714 544 K HN 0.189 nan 8.250 nan 0.000 0.438 545 L N 0.196 121.425 121.223 0.011 0.000 2.023 545 L HA -0.086 4.254 4.340 0.000 0.000 0.205 545 L C 1.124 178.002 176.870 0.013 0.000 1.073 545 L CA 0.733 55.575 54.840 0.004 0.000 0.745 545 L CB -0.259 41.793 42.059 -0.012 0.000 0.900 545 L HN 0.160 nan 8.230 nan 0.000 0.435 546 N N -0.739 117.974 118.700 0.021 0.000 2.750 546 N HA 0.189 4.929 4.740 0.000 0.000 0.253 546 N C -2.169 173.372 175.510 0.051 0.000 1.408 546 N CA -1.736 51.332 53.050 0.030 0.000 0.780 546 N CB 1.063 39.564 38.487 0.023 0.000 1.191 546 N HN -0.194 nan 8.380 nan 0.000 0.511 547 P HA -0.076 nan 4.420 nan 0.000 0.218 547 P C 1.026 178.361 177.300 0.059 0.000 1.148 547 P CA 0.994 64.128 63.100 0.058 0.000 0.822 547 P CB 0.474 32.193 31.700 0.031 0.000 0.784 548 N N -0.222 118.502 118.700 0.040 0.000 2.036 548 N HA -0.178 4.562 4.740 0.000 0.000 0.195 548 N C 1.758 177.288 175.510 0.033 0.000 1.037 548 N CA 1.949 55.015 53.050 0.027 0.000 0.855 548 N CB -1.166 37.331 38.487 0.016 0.000 1.033 548 N HN 0.080 nan 8.380 nan 0.000 0.423 549 A N 0.917 123.764 122.820 0.045 0.000 1.855 549 A HA -0.060 4.260 4.320 0.000 0.000 0.215 549 A C 2.298 179.955 177.584 0.121 0.000 1.191 549 A CA 1.109 53.181 52.037 0.058 0.000 0.613 549 A CB -0.710 18.320 19.000 0.049 0.000 0.829 549 A HN 0.129 nan 8.150 nan 0.000 0.442 550 I N 0.358 121.033 120.570 0.175 0.000 2.208 550 I HA -0.245 3.925 4.170 0.000 0.000 0.245 550 I C 2.882 179.162 176.117 0.271 0.000 1.097 550 I CA 1.342 62.837 61.300 0.325 0.000 1.363 550 I CB -0.670 37.570 38.000 0.400 0.000 1.051 550 I HN 0.332 nan 8.210 nan 0.000 0.413 551 A N -0.503 122.426 122.820 0.183 0.000 1.858 551 A HA -0.218 4.102 4.320 0.000 0.000 0.216 551 A C 2.504 180.138 177.584 0.085 0.000 1.190 551 A CA 2.272 54.389 52.037 0.133 0.000 0.617 551 A CB -1.133 17.912 19.000 0.074 0.000 0.827 551 A HN 0.403 nan 8.150 nan 0.000 0.443 552 S N -0.481 115.249 115.700 0.050 0.000 2.374 552 S HA -0.172 4.298 4.470 0.000 0.000 0.227 552 S C 1.876 176.487 174.600 0.019 0.000 1.037 552 S CA 1.582 59.785 58.200 0.004 0.000 1.024 552 S CB -0.565 62.611 63.200 -0.039 0.000 0.861 552 S HN 0.350 nan 8.310 nan 0.000 0.456 553 V N 1.903 121.854 119.914 0.063 0.000 2.255 553 V HA -0.156 3.964 4.120 0.000 0.000 0.243 553 V C 2.898 178.985 176.094 -0.012 0.000 1.038 553 V CA 2.097 64.430 62.300 0.055 0.000 1.008 553 V CB -1.407 30.509 31.823 0.155 0.000 0.645 553 V HN 0.757 nan 8.190 nan 0.000 0.449 554 T N -2.230 112.315 114.554 -0.014 0.000 2.951 554 T HA -0.078 4.272 4.350 0.000 0.000 0.268 554 T C 1.713 176.407 174.700 -0.009 0.000 1.073 554 T CA 1.389 63.435 62.100 -0.089 0.000 1.134 554 T CB -0.201 68.633 68.868 -0.056 0.000 0.884 554 T HN 0.213 nan 8.240 nan 0.000 0.479 555 V N 1.125 121.059 119.914 0.033 0.000 2.591 555 V HA 0.318 4.438 4.120 0.000 0.000 0.249 555 V C 2.252 178.348 176.094 0.004 0.000 1.053 555 V CA 1.137 63.454 62.300 0.027 0.000 1.068 555 V CB -0.942 30.900 31.823 0.033 0.000 0.689 555 V HN 0.846 nan 8.190 nan 0.000 0.462 556 G N 1.386 110.183 108.800 -0.005 0.000 2.134 556 G HA2 -0.212 3.748 3.960 0.000 0.000 0.209 556 G HA3 -0.212 3.748 3.960 0.000 0.000 0.209 556 G C 0.180 175.075 174.900 -0.008 0.000 0.993 556 G CA 0.134 45.228 45.100 -0.010 0.000 0.669 556 G HN 0.836 nan 8.290 nan 0.000 0.519 557 R N -1.850 118.641 120.500 -0.015 0.000 2.687 557 R HA 0.632 4.972 4.340 0.000 0.000 0.265 557 R C -0.547 175.712 176.300 -0.069 0.000 1.048 557 R CA -1.262 54.821 56.100 -0.028 0.000 0.884 557 R CB 0.743 31.040 30.300 -0.006 0.000 1.258 557 R HN -0.028 nan 8.270 nan 0.000 0.469 558 R N 1.741 122.151 120.500 -0.149 0.000 2.483 558 R HA 0.133 4.473 4.340 0.000 0.000 0.329 558 R C 0.119 176.325 176.300 -0.156 0.000 0.961 558 R CA 0.198 56.131 56.100 -0.278 0.000 1.041 558 R CB 0.117 29.966 30.300 -0.751 0.000 0.930 558 R HN 0.535 nan 8.270 nan 0.000 0.413 559 V N -0.825 119.031 119.914 -0.096 0.000 3.160 559 V HA 0.734 4.854 4.120 0.000 0.000 0.310 559 V C -0.056 176.024 176.094 -0.023 0.000 1.181 559 V CA -1.067 61.211 62.300 -0.036 0.000 1.047 559 V CB 2.380 34.198 31.823 -0.008 0.000 1.068 559 V HN 0.676 nan 8.190 nan 0.000 0.441 560 S N 0.968 116.669 115.700 0.002 0.000 2.638 560 S HA 0.997 5.468 4.470 0.000 0.000 0.298 560 S C -0.189 174.420 174.600 0.015 0.000 1.111 560 S CA -0.068 58.139 58.200 0.011 0.000 1.027 560 S CB 1.539 64.753 63.200 0.022 0.000 1.064 560 S HN 2.452 nan 8.310 nan 0.000 0.525 561 A N 1.378 124.209 122.820 0.017 0.000 2.609 561 A HA 0.963 5.283 4.320 0.000 0.000 0.291 561 A C -0.650 176.941 177.584 0.011 0.000 1.096 561 A CA -1.209 50.837 52.037 0.014 0.000 0.684 561 A CB 1.472 20.484 19.000 0.019 0.000 1.282 561 A HN 1.301 nan 8.150 nan 0.000 0.412 562 R N -0.333 120.168 120.500 0.002 0.000 2.741 562 R HA 0.681 5.021 4.340 0.000 0.000 0.274 562 R C -1.547 174.744 176.300 -0.015 0.000 1.029 562 R CA -0.989 55.110 56.100 -0.001 0.000 0.880 562 R CB 0.576 30.878 30.300 0.003 0.000 1.264 562 R HN 0.501 nan 8.270 nan 0.000 0.465 563 M N 1.719 121.310 119.600 -0.016 0.000 2.318 563 M HA 0.384 4.864 4.480 0.000 0.000 0.347 563 M C -0.526 175.760 176.300 -0.023 0.000 1.175 563 M CA -0.637 54.646 55.300 -0.028 0.000 1.075 563 M CB 1.040 33.624 32.600 -0.027 0.000 1.614 563 M HN 0.560 nan 8.290 nan 0.000 0.456 564 L N 2.689 123.894 121.223 -0.030 0.000 2.581 564 L HA 0.453 4.793 4.340 0.000 0.000 0.241 564 L C 0.948 177.802 176.870 -0.026 0.000 1.265 564 L CA -0.333 54.493 54.840 -0.023 0.000 0.954 564 L CB 0.201 42.247 42.059 -0.022 0.000 1.269 564 L HN 1.075 nan 8.230 nan 0.000 0.475 565 G N 1.277 110.064 108.800 -0.023 0.000 2.779 565 G HA2 -0.296 3.664 3.960 0.000 0.000 0.284 565 G HA3 -0.296 3.664 3.960 0.000 0.000 0.284 565 G C 0.304 175.186 174.900 -0.030 0.000 1.326 565 G CA 0.339 45.426 45.100 -0.022 0.000 0.983 565 G HN 0.463 nan 8.290 nan 0.000 0.555 566 D N 1.067 121.446 120.400 -0.036 0.000 2.501 566 D HA 0.428 5.068 4.640 0.000 0.000 0.224 566 D C 0.730 176.987 176.300 -0.073 0.000 1.202 566 D CA 0.930 54.903 54.000 -0.046 0.000 0.829 566 D CB 0.996 41.776 40.800 -0.033 0.000 1.023 566 D HN 1.024 nan 8.370 nan 0.000 0.499 567 V N -2.748 117.120 119.914 -0.077 0.000 3.040 567 V HA 0.571 4.691 4.120 0.000 0.000 0.312 567 V C -0.474 175.555 176.094 -0.108 0.000 1.115 567 V CA -1.092 61.144 62.300 -0.107 0.000 0.998 567 V CB 2.882 34.658 31.823 -0.078 0.000 1.042 567 V HN -0.111 nan 8.190 nan 0.000 0.433 568 M N 3.146 122.661 119.600 -0.143 0.000 2.129 568 M HA 0.742 5.222 4.480 0.000 0.000 0.348 568 M C 0.068 176.328 176.300 -0.067 0.000 1.116 568 M CA -0.516 54.717 55.300 -0.111 0.000 1.022 568 M CB 1.146 33.652 32.600 -0.157 0.000 1.599 568 M HN 1.160 nan 8.290 nan 0.000 0.449 569 A N 4.872 127.668 122.820 -0.040 0.000 2.363 569 A HA 0.639 4.959 4.320 0.000 0.000 0.270 569 A C -0.608 176.969 177.584 -0.011 0.000 1.121 569 A CA -0.546 51.478 52.037 -0.022 0.000 0.800 569 A CB 0.319 19.310 19.000 -0.014 0.000 1.052 569 A HN 0.820 nan 8.150 nan 0.000 0.493 570 V N 0.121 120.033 119.914 -0.005 0.000 3.007 570 V HA 0.951 5.071 4.120 0.000 0.000 0.311 570 V C -0.288 175.811 176.094 0.009 0.000 1.120 570 V CA -0.110 62.192 62.300 0.005 0.000 0.980 570 V CB 1.516 33.344 31.823 0.008 0.000 1.033 570 V HN 1.588 nan 8.190 nan 0.000 0.429 571 S N 0.830 116.539 115.700 0.014 0.000 2.546 571 S HA 0.572 5.042 4.470 0.000 0.000 0.272 571 S C -0.345 174.268 174.600 0.023 0.000 1.140 571 S CA -0.384 57.827 58.200 0.018 0.000 0.920 571 S CB 1.681 64.894 63.200 0.022 0.000 1.083 571 S HN 1.117 nan 8.310 nan 0.000 0.476 572 T N 3.300 117.870 114.554 0.026 0.000 2.934 572 T HA 0.195 4.545 4.350 0.000 0.000 0.306 572 T C 0.465 175.196 174.700 0.052 0.000 1.042 572 T CA 0.063 62.184 62.100 0.033 0.000 1.145 572 T CB -0.466 68.425 68.868 0.037 0.000 0.982 572 T HN 0.809 nan 8.240 nan 0.000 0.544 573 c N 2.909 121.546 118.600 0.063 0.000 2.520 573 c HA 0.608 5.178 4.570 0.000 0.000 0.376 573 c C 0.769 174.967 174.090 0.180 0.000 1.268 573 c CA -0.830 55.569 56.329 0.118 0.000 2.414 573 c CB 0.675 43.248 42.510 0.106 0.000 2.521 573 c HN 0.743 nan 8.230 nan 0.000 0.618 574 V N 3.992 124.031 119.914 0.209 0.000 2.448 574 V HA 0.478 4.598 4.120 0.000 0.000 0.295 574 V C -2.440 173.774 176.094 0.200 0.000 1.025 574 V CA -1.813 60.606 62.300 0.197 0.000 0.859 574 V CB 1.834 33.748 31.823 0.152 0.000 0.988 574 V HN 0.819 nan 8.190 nan 0.000 0.431 575 P HA 0.224 nan 4.420 nan 0.000 0.269 575 P C -1.076 176.197 177.300 -0.045 0.000 1.209 575 P CA 0.108 63.113 63.100 -0.158 0.000 0.776 575 P CB 0.795 32.396 31.700 -0.164 0.000 0.876 576 V N 2.345 122.183 119.914 -0.128 0.000 2.495 576 V HA 0.531 4.651 4.120 0.000 0.000 0.298 576 V C 0.358 176.409 176.094 -0.072 0.000 1.031 576 V CA -1.078 61.187 62.300 -0.058 0.000 0.871 576 V CB 1.452 33.161 31.823 -0.190 0.000 0.988 576 V HN 0.689 nan 8.190 nan 0.000 0.432 577 A N 3.513 126.316 122.820 -0.029 0.000 2.565 577 A HA 0.452 4.772 4.320 0.000 0.000 0.237 577 A C 1.550 179.081 177.584 -0.088 0.000 1.053 577 A CA 0.562 52.575 52.037 -0.040 0.000 0.755 577 A CB 0.246 19.238 19.000 -0.013 0.000 0.980 577 A HN 1.481 nan 8.150 nan 0.000 0.506 578 A N 1.814 124.594 122.820 -0.066 0.000 2.070 578 A HA -0.073 4.247 4.320 0.000 0.000 0.220 578 A C 1.307 178.810 177.584 -0.135 0.000 1.159 578 A CA 1.839 53.819 52.037 -0.095 0.000 0.656 578 A CB -0.348 18.646 19.000 -0.009 0.000 0.800 578 A HN 0.776 nan 8.150 nan 0.000 0.453 579 D N 0.169 120.519 120.400 -0.083 0.000 2.347 579 D HA -0.021 4.619 4.640 0.000 0.000 0.215 579 D C 0.335 176.590 176.300 -0.075 0.000 0.976 579 D CA 0.553 54.515 54.000 -0.063 0.000 0.884 579 D CB -0.134 40.647 40.800 -0.032 0.000 0.915 579 D HN 0.440 nan 8.370 nan 0.000 0.526 580 N N 0.549 119.188 118.700 -0.101 0.000 2.635 580 N HA 0.130 4.870 4.740 0.000 0.000 0.307 580 N C -1.010 174.432 175.510 -0.113 0.000 1.433 580 N CA 0.031 53.033 53.050 -0.078 0.000 0.973 580 N CB 1.987 40.453 38.487 -0.035 0.000 1.304 580 N HN -0.107 nan 8.380 nan 0.000 0.507 581 V N 1.708 121.514 119.914 -0.180 0.000 2.569 581 V HA 0.539 4.659 4.120 0.000 0.000 0.301 581 V C -0.240 175.847 176.094 -0.012 0.000 1.044 581 V CA -0.606 61.566 62.300 -0.214 0.000 0.874 581 V CB 2.320 33.705 31.823 -0.731 0.000 1.002 581 V HN 0.112 nan 8.190 nan 0.000 0.424 582 I N 4.299 124.903 120.570 0.056 0.000 2.608 582 I HA 0.595 4.765 4.170 0.000 0.000 0.295 582 I C -0.648 175.513 176.117 0.074 0.000 1.049 582 I CA -1.159 60.191 61.300 0.082 0.000 1.063 582 I CB 2.454 40.462 38.000 0.014 0.000 1.248 582 I HN 0.282 nan 8.210 nan 0.000 0.424 583 V N 4.206 124.134 119.914 0.024 0.000 2.439 583 V HA 0.272 4.392 4.120 0.000 0.000 0.282 583 V C 0.047 176.133 176.094 -0.014 0.000 1.039 583 V CA -0.900 61.378 62.300 -0.037 0.000 0.913 583 V CB 1.219 32.973 31.823 -0.115 0.000 0.983 583 V HN 0.611 nan 8.190 nan 0.000 0.460 584 Q N 3.327 123.124 119.800 -0.004 0.000 2.313 584 Q HA 0.167 4.507 4.340 0.000 0.000 0.266 584 Q C 1.000 177.079 176.000 0.131 0.000 0.989 584 Q CA -0.084 55.726 55.803 0.013 0.000 0.890 584 Q CB 0.513 29.228 28.738 -0.038 0.000 1.200 584 Q HN 0.674 nan 8.270 nan 0.000 0.396 585 N N 0.548 119.296 118.700 0.081 0.000 2.272 585 N HA -0.121 4.619 4.740 0.000 0.000 0.185 585 N C 0.485 176.175 175.510 0.301 0.000 1.014 585 N CA 0.749 53.867 53.050 0.113 0.000 0.870 585 N CB 0.213 38.708 38.487 0.013 0.000 0.975 585 N HN 0.349 nan 8.380 nan 0.000 0.433 586 S N -0.686 115.183 115.700 0.283 0.000 2.541 586 S HA 0.468 4.938 4.470 0.000 0.000 0.280 586 S C 0.159 174.912 174.600 0.256 0.000 1.112 586 S CA -0.661 57.737 58.200 0.330 0.000 0.925 586 S CB 1.286 64.602 63.200 0.194 0.000 1.067 586 S HN -0.031 nan 8.310 nan 0.000 0.479 587 M N 3.396 123.168 119.600 0.287 0.000 2.530 587 M HA 0.247 4.727 4.480 0.000 0.000 0.231 587 M C 0.355 176.766 176.300 0.185 0.000 1.180 587 M CA 0.132 55.548 55.300 0.194 0.000 0.985 587 M CB 0.027 32.728 32.600 0.168 0.000 1.623 587 M HN 0.353 nan 8.290 nan 0.000 0.475 588 R N 0.452 121.032 120.500 0.134 0.000 2.720 588 R HA 0.748 5.088 4.340 0.000 0.000 0.272 588 R C -0.679 175.643 176.300 0.036 0.000 0.991 588 R CA -0.681 55.416 56.100 -0.003 0.000 1.010 588 R CB 1.885 32.179 30.300 -0.010 0.000 1.141 588 R HN 0.127 nan 8.270 nan 0.000 0.494 589 I N 0.384 120.922 120.570 -0.053 0.000 2.509 589 I HA 0.173 4.343 4.170 0.000 0.000 0.293 589 I C 0.594 176.688 176.117 -0.038 0.000 1.020 589 I CA -0.375 60.907 61.300 -0.030 0.000 1.088 589 I CB 2.349 40.284 38.000 -0.109 0.000 1.267 589 I HN 0.647 nan 8.210 nan 0.000 0.430 590 S N 1.898 117.591 115.700 -0.011 0.000 2.404 590 S HA -0.110 4.360 4.470 0.000 0.000 0.223 590 S C 1.931 176.517 174.600 -0.022 0.000 1.040 590 S CA 1.193 59.384 58.200 -0.014 0.000 0.957 590 S CB -0.029 63.172 63.200 0.000 0.000 0.826 590 S HN 0.863 nan 8.310 nan 0.000 0.491 591 S N 1.248 116.936 115.700 -0.020 0.000 2.442 591 S HA 0.019 4.489 4.470 0.000 0.000 0.236 591 S C 1.083 175.661 174.600 -0.036 0.000 1.007 591 S CA 0.948 59.135 58.200 -0.023 0.000 0.965 591 S CB -0.414 62.776 63.200 -0.016 0.000 0.773 591 S HN 0.519 nan 8.310 nan 0.000 0.504 592 R N 0.968 121.435 120.500 -0.055 0.000 2.855 592 R HA 0.655 4.995 4.340 0.000 0.000 0.261 592 R C -3.352 172.897 176.300 -0.086 0.000 1.826 592 R CA -1.627 54.432 56.100 -0.067 0.000 1.435 592 R CB -0.979 29.274 30.300 -0.078 0.000 1.383 592 R HN 0.348 nan 8.270 nan 0.000 0.583 593 P HA 0.308 nan 4.420 nan 0.000 0.269 593 P C 1.043 178.290 177.300 -0.089 0.000 1.211 593 P CA 1.788 64.841 63.100 -0.078 0.000 0.781 593 P CB 1.031 32.699 31.700 -0.053 0.000 0.877 594 G N -0.343 108.394 108.800 -0.105 0.000 2.149 594 G HA2 0.094 4.054 3.960 0.000 0.000 0.235 594 G HA3 0.094 4.054 3.960 0.000 0.000 0.235 594 G C 0.009 174.826 174.900 -0.138 0.000 1.018 594 G CA -0.094 44.944 45.100 -0.103 0.000 0.728 594 G HN 0.874 nan 8.290 nan 0.000 0.508 595 A N -1.463 121.238 122.820 -0.197 0.000 2.532 595 A HA 0.713 5.033 4.320 0.000 0.000 0.296 595 A C -0.415 176.953 177.584 -0.359 0.000 1.058 595 A CA 0.166 52.054 52.037 -0.248 0.000 0.729 595 A CB 1.102 19.975 19.000 -0.212 0.000 1.285 595 A HN 1.456 nan 8.150 nan 0.000 0.396 596 c N 1.117 119.450 118.600 -0.445 0.000 2.686 596 c HA 0.561 5.131 4.570 0.000 0.000 0.318 596 c C -0.516 173.389 174.090 -0.308 0.000 1.160 596 c CA -0.896 55.108 56.329 -0.543 0.000 1.396 596 c CB 0.478 42.218 42.510 -1.284 0.000 1.924 596 c HN 0.798 nan 8.230 nan 0.000 0.471 597 Y N 1.985 122.210 120.300 -0.126 0.000 2.802 597 Y HA -0.013 4.537 4.550 0.000 0.000 0.333 597 Y C 2.021 177.943 175.900 0.036 0.000 1.244 597 Y CA 0.942 59.008 58.100 -0.056 0.000 1.558 597 Y CB 0.558 38.966 38.460 -0.087 0.000 1.233 597 Y HN 0.929 nan 8.280 nan 0.000 0.547 598 S N 2.823 118.635 115.700 0.187 0.000 2.382 598 S HA -0.055 4.415 4.470 0.000 0.000 0.228 598 S C 0.818 175.480 174.600 0.104 0.000 1.027 598 S CA 0.634 58.963 58.200 0.214 0.000 0.991 598 S CB 0.124 63.418 63.200 0.156 0.000 0.823 598 S HN 0.490 nan 8.310 nan 0.000 0.469 599 R N 1.881 122.340 120.500 -0.069 0.000 2.604 599 R HA 0.544 4.885 4.340 0.000 0.000 0.287 599 R C -3.088 172.919 176.300 -0.488 0.000 0.970 599 R CA -2.589 53.235 56.100 -0.459 0.000 0.946 599 R CB 0.741 30.855 30.300 -0.310 0.000 1.127 599 R HN 0.152 nan 8.270 nan 0.000 0.473 600 P HA 0.081 nan 4.420 nan 0.000 0.269 600 P C -0.325 176.727 177.300 -0.412 0.000 1.215 600 P CA 0.062 62.785 63.100 -0.627 0.000 0.780 600 P CB 0.493 31.799 31.700 -0.656 0.000 0.898 601 L N 1.509 122.515 121.223 -0.363 0.000 2.399 601 L HA 0.665 5.005 4.340 0.000 0.000 0.265 601 L C 0.397 177.170 176.870 -0.162 0.000 1.089 601 L CA -0.722 53.924 54.840 -0.323 0.000 0.802 601 L CB 0.970 42.786 42.059 -0.404 0.000 1.180 601 L HN 0.198 nan 8.230 nan 0.000 0.454 602 V N -1.635 118.221 119.914 -0.098 0.000 3.147 602 V HA 0.839 4.959 4.120 0.000 0.000 0.306 602 V C -0.715 175.395 176.094 0.026 0.000 1.209 602 V CA -0.673 61.624 62.300 -0.006 0.000 1.023 602 V CB 1.917 33.775 31.823 0.059 0.000 1.059 602 V HN 0.786 nan 8.190 nan 0.000 0.435 603 S N 2.163 117.891 115.700 0.048 0.000 2.736 603 S HA 0.854 5.324 4.470 0.000 0.000 0.285 603 S C -0.943 173.688 174.600 0.053 0.000 1.163 603 S CA -0.559 57.659 58.200 0.031 0.000 1.025 603 S CB 1.134 64.316 63.200 -0.031 0.000 1.030 603 S HN 1.929 nan 8.310 nan 0.000 0.486 604 F N 1.098 120.963 119.950 -0.142 0.000 2.679 604 F HA 0.923 5.450 4.527 0.000 0.000 0.341 604 F C -0.646 175.028 175.800 -0.210 0.000 1.095 604 F CA -1.391 56.489 58.000 -0.199 0.000 1.004 604 F CB 1.491 40.329 39.000 -0.269 0.000 1.388 604 F HN 0.749 nan 8.300 nan 0.000 0.505 605 R N 0.668 120.977 120.500 -0.319 0.000 2.508 605 R HA 0.293 4.633 4.340 0.000 0.000 0.283 605 R C -1.094 175.170 176.300 -0.060 0.000 1.120 605 R CA -0.710 55.155 56.100 -0.391 0.000 0.958 605 R CB 0.349 30.534 30.300 -0.192 0.000 1.215 605 R HN 0.850 nan 8.270 nan 0.000 0.427 606 Y N 1.070 121.434 120.300 0.107 0.000 2.081 606 Y HA -0.183 4.367 4.550 0.000 0.000 0.280 606 Y C 0.920 176.861 175.900 0.067 0.000 1.163 606 Y CA 1.277 59.480 58.100 0.172 0.000 1.135 606 Y CB 0.005 38.554 38.460 0.149 0.000 0.970 606 Y HN 0.443 nan 8.280 nan 0.000 0.498 607 E N 0.944 121.264 120.200 0.200 0.000 2.349 607 E HA -0.005 4.345 4.350 0.000 0.000 0.265 607 E C 0.301 176.928 176.600 0.046 0.000 1.064 607 E CA -0.049 56.410 56.400 0.098 0.000 0.886 607 E CB 0.757 30.499 29.700 0.070 0.000 1.036 607 E HN 0.280 nan 8.360 nan 0.000 0.413 608 D N 0.989 121.406 120.400 0.029 0.000 2.178 608 D HA -0.122 4.518 4.640 0.000 0.000 0.202 608 D C 1.211 177.510 176.300 -0.002 0.000 0.974 608 D CA 1.311 55.316 54.000 0.008 0.000 0.841 608 D CB 0.190 40.994 40.800 0.007 0.000 0.953 608 D HN 0.259 nan 8.370 nan 0.000 0.478 609 Q N -0.479 119.321 119.800 0.001 0.000 2.281 609 Q HA 0.297 4.637 4.340 0.000 0.000 0.215 609 Q C 0.841 176.835 176.000 -0.011 0.000 0.867 609 Q CA -0.040 55.759 55.803 -0.006 0.000 0.940 609 Q CB 1.128 29.864 28.738 -0.003 0.000 1.111 609 Q HN 0.133 nan 8.270 nan 0.000 0.513 610 G N 1.318 110.116 108.800 -0.004 0.000 2.634 610 G HA2 0.326 4.286 3.960 0.000 0.000 0.255 610 G HA3 0.326 4.286 3.960 0.000 0.000 0.255 610 G C -2.374 172.503 174.900 -0.039 0.000 1.205 610 G CA -0.982 44.114 45.100 -0.007 0.000 0.884 610 G HN -0.022 nan 8.290 nan 0.000 0.549 611 P HA 0.135 nan 4.420 nan 0.000 0.267 611 P C -0.608 176.604 177.300 -0.146 0.000 1.200 611 P CA -0.170 62.885 63.100 -0.075 0.000 0.772 611 P CB 0.519 32.184 31.700 -0.058 0.000 0.855 612 L N 3.327 124.454 121.223 -0.160 0.000 2.261 612 L HA 0.199 4.539 4.340 0.000 0.000 0.289 612 L C 0.221 176.924 176.870 -0.279 0.000 1.059 612 L CA -0.132 54.563 54.840 -0.242 0.000 0.816 612 L CB 0.642 42.607 42.059 -0.157 0.000 1.191 612 L HN 0.132 nan 8.230 nan 0.000 0.431 613 V N 2.278 121.889 119.914 -0.504 0.000 3.264 613 V HA 0.240 4.360 4.120 0.000 0.000 0.304 613 V C 0.300 176.269 176.094 -0.210 0.000 1.086 613 V CA -0.764 61.299 62.300 -0.394 0.000 1.090 613 V CB 0.970 32.431 31.823 -0.604 0.000 1.112 613 V HN 0.687 nan 8.190 nan 0.000 0.472 614 E N 0.576 120.735 120.200 -0.069 0.000 2.185 614 E HA 0.631 4.981 4.350 0.000 0.000 0.261 614 E C 0.018 176.644 176.600 0.043 0.000 0.879 614 E CA -0.199 56.195 56.400 -0.010 0.000 0.756 614 E CB 1.896 31.578 29.700 -0.029 0.000 1.152 614 E HN 0.908 nan 8.360 nan 0.000 0.416 615 G N 1.887 110.727 108.800 0.066 0.000 2.975 615 G HA2 0.391 4.351 3.960 0.000 0.000 0.291 615 G HA3 0.391 4.351 3.960 0.000 0.000 0.291 615 G C -1.398 173.483 174.900 -0.030 0.000 1.334 615 G CA -0.461 44.670 45.100 0.052 0.000 0.843 615 G HN 0.378 nan 8.290 nan 0.000 0.548 616 Q N -0.731 119.045 119.800 -0.041 0.000 2.377 616 Q HA 0.582 4.922 4.340 0.000 0.000 0.271 616 Q C -1.164 174.801 176.000 -0.058 0.000 1.077 616 Q CA -0.840 54.900 55.803 -0.106 0.000 0.820 616 Q CB 2.386 31.049 28.738 -0.125 0.000 1.347 616 Q HN 0.465 nan 8.270 nan 0.000 0.444 617 L N 2.668 123.837 121.223 -0.089 0.000 2.455 617 L HA 0.406 4.746 4.340 0.000 0.000 0.272 617 L C 0.210 177.059 176.870 -0.036 0.000 1.174 617 L CA 1.034 55.863 54.840 -0.018 0.000 0.869 617 L CB 0.764 42.806 42.059 -0.028 0.000 1.130 617 L HN 0.755 nan 8.230 nan 0.000 0.474 618 G N 3.934 112.754 108.800 0.033 0.000 3.019 618 G HA2 0.430 4.390 3.960 0.000 0.000 0.152 618 G HA3 0.430 4.390 3.960 0.000 0.000 0.152 618 G C -0.853 174.086 174.900 0.065 0.000 1.320 618 G CA -0.427 44.693 45.100 0.034 0.000 1.013 618 G HN 0.618 nan 8.290 nan 0.000 0.593 619 E N 0.105 120.340 120.200 0.059 0.000 2.244 619 E HA 0.283 4.633 4.350 0.000 0.000 0.266 619 E C -0.621 175.994 176.600 0.026 0.000 0.914 619 E CA -0.927 55.513 56.400 0.067 0.000 0.794 619 E CB 1.665 31.405 29.700 0.068 0.000 1.210 619 E HN 0.388 nan 8.360 nan 0.000 0.414 620 N N 2.985 121.692 118.700 0.011 0.000 2.705 620 N HA -0.232 4.508 4.740 0.000 0.000 0.255 620 N C -0.890 174.558 175.510 -0.104 0.000 1.008 620 N CA 0.666 53.689 53.050 -0.045 0.000 0.742 620 N CB -1.342 37.122 38.487 -0.038 0.000 0.906 620 N HN 0.719 nan 8.380 nan 0.000 0.541 621 N N -0.836 117.758 118.700 -0.175 0.000 2.727 621 N HA -0.254 4.486 4.740 0.000 0.000 0.249 621 N C -0.500 174.966 175.510 -0.074 0.000 1.048 621 N CA 1.231 54.036 53.050 -0.409 0.000 0.714 621 N CB -0.947 36.773 38.487 -1.278 0.000 0.959 621 N HN 0.797 nan 8.380 nan 0.000 0.544 622 E N 1.079 121.302 120.200 0.039 0.000 1.963 622 E HA 0.170 4.520 4.350 0.000 0.000 0.274 622 E C 0.016 176.659 176.600 0.071 0.000 1.061 622 E CA -0.487 55.960 56.400 0.078 0.000 0.847 622 E CB 0.230 29.959 29.700 0.049 0.000 1.083 622 E HN 0.234 nan 8.360 nan 0.000 0.402 623 L N 5.699 126.951 121.223 0.048 0.000 2.678 623 L HA 0.072 4.412 4.340 0.000 0.000 0.276 623 L C 0.851 177.684 176.870 -0.062 0.000 1.142 623 L CA 0.372 55.175 54.840 -0.062 0.000 0.961 623 L CB -0.329 41.490 42.059 -0.400 0.000 1.291 623 L HN 0.364 nan 8.230 nan 0.000 0.476 624 R N 2.978 123.479 120.500 0.002 0.000 2.615 624 R HA 0.274 4.614 4.340 0.000 0.000 0.270 624 R C 0.759 177.091 176.300 0.054 0.000 1.081 624 R CA -0.513 55.602 56.100 0.026 0.000 1.154 624 R CB 1.024 31.338 30.300 0.023 0.000 1.063 624 R HN 0.562 nan 8.270 nan 0.000 0.519 625 L N 0.257 121.529 121.223 0.080 0.000 2.276 625 L HA 0.070 4.410 4.340 0.000 0.000 0.194 625 L C 0.637 177.552 176.870 0.074 0.000 1.099 625 L CA 0.515 55.422 54.840 0.112 0.000 0.800 625 L CB -0.135 42.006 42.059 0.137 0.000 0.994 625 L HN 0.599 nan 8.230 nan 0.000 0.475 626 T N 2.477 117.069 114.554 0.064 0.000 2.751 626 T HA 0.039 4.389 4.350 0.000 0.000 0.279 626 T C 0.584 175.317 174.700 0.054 0.000 0.941 626 T CA 0.066 62.200 62.100 0.057 0.000 1.192 626 T CB -0.195 68.705 68.868 0.054 0.000 0.883 626 T HN 0.152 nan 8.240 nan 0.000 0.534 627 R N 3.039 123.571 120.500 0.054 0.000 4.559 627 R HA 0.049 4.389 4.340 0.000 0.000 0.177 627 R C 0.426 176.851 176.300 0.208 0.000 1.875 627 R CA -0.128 56.010 56.100 0.063 0.000 1.509 627 R CB -0.175 30.116 30.300 -0.015 0.000 1.395 627 R HN 0.711 nan 8.270 nan 0.000 0.830 628 D N -0.477 120.010 120.400 0.144 0.000 2.422 628 D HA -0.011 4.629 4.640 0.000 0.000 0.218 628 D C 0.510 176.880 176.300 0.116 0.000 1.047 628 D CA -0.188 53.885 54.000 0.122 0.000 0.885 628 D CB 0.124 40.965 40.800 0.068 0.000 1.035 628 D HN 0.137 nan 8.370 nan 0.000 0.502 629 A N 1.037 123.932 122.820 0.124 0.000 2.526 629 A HA 0.393 4.713 4.320 0.000 0.000 0.267 629 A C 0.027 177.699 177.584 0.147 0.000 1.095 629 A CA 0.164 52.263 52.037 0.104 0.000 0.775 629 A CB -0.797 18.243 19.000 0.067 0.000 1.036 629 A HN 0.475 nan 8.150 nan 0.000 0.510 630 I N 1.626 122.230 120.570 0.057 0.000 2.918 630 I HA 0.505 4.675 4.170 0.000 0.000 0.301 630 I C -0.789 175.317 176.117 -0.020 0.000 1.312 630 I CA -0.556 60.727 61.300 -0.027 0.000 1.007 630 I CB 2.207 40.089 38.000 -0.198 0.000 1.281 630 I HN 0.910 nan 8.210 nan 0.000 0.440 631 E N 5.841 126.023 120.200 -0.031 0.000 2.429 631 E HA 0.619 4.969 4.350 0.000 0.000 0.276 631 E C -2.919 173.645 176.600 -0.059 0.000 0.953 631 E CA -2.308 54.096 56.400 0.006 0.000 0.787 631 E CB 2.082 31.850 29.700 0.113 0.000 1.307 631 E HN 0.113 nan 8.360 nan 0.000 0.458 632 P HA 0.098 nan 4.420 nan 0.000 0.271 632 P C -0.474 176.793 177.300 -0.056 0.000 1.216 632 P CA -0.421 62.644 63.100 -0.058 0.000 0.776 632 P CB 0.468 32.160 31.700 -0.013 0.000 0.881 633 c N 2.803 121.302 118.600 -0.169 0.000 2.592 633 c HA 0.228 4.798 4.570 0.000 0.000 0.408 633 c C 1.088 175.243 174.090 0.109 0.000 1.436 633 c CA 0.290 56.492 56.329 -0.212 0.000 1.595 633 c CB -1.659 40.701 42.510 -0.250 0.000 2.487 633 c HN 0.595 nan 8.230 nan 0.000 0.610 634 T N 1.557 116.361 114.554 0.417 0.000 2.797 634 T HA 0.588 4.938 4.350 0.000 0.000 0.279 634 T C -0.290 174.591 174.700 0.301 0.000 0.991 634 T CA -0.711 61.578 62.100 0.315 0.000 0.979 634 T CB 0.861 69.907 68.868 0.297 0.000 0.943 634 T HN 0.386 nan 8.240 nan 0.000 0.444 635 V N 2.667 122.686 119.914 0.174 0.000 3.096 635 V HA 0.479 4.599 4.120 0.000 0.000 0.306 635 V C 1.885 178.046 176.094 0.113 0.000 1.088 635 V CA 0.650 63.032 62.300 0.136 0.000 1.129 635 V CB 0.333 32.209 31.823 0.087 0.000 1.014 635 V HN 1.480 nan 8.190 nan 0.000 0.486 636 G N 0.822 109.678 108.800 0.093 0.000 2.233 636 G HA2 -0.305 3.655 3.960 0.000 0.000 0.270 636 G HA3 -0.305 3.655 3.960 0.000 0.000 0.270 636 G C 0.408 175.325 174.900 0.028 0.000 1.011 636 G CA 0.613 45.748 45.100 0.058 0.000 0.762 636 G HN 1.134 nan 8.290 nan 0.000 0.511 637 H N 0.590 119.614 119.070 -0.077 0.000 3.192 637 H HA 0.213 4.769 4.556 0.000 0.000 0.295 637 H C 0.481 175.648 175.328 -0.268 0.000 0.943 637 H CA 0.805 56.709 56.048 -0.241 0.000 1.416 637 H CB 0.264 29.723 29.762 -0.505 0.000 1.434 637 H HN 0.475 nan 8.280 nan 0.000 0.565 638 R N 4.555 124.647 120.500 -0.681 0.000 2.515 638 R HA 0.438 4.778 4.340 0.000 0.000 0.291 638 R C -0.626 175.207 176.300 -0.777 0.000 1.046 638 R CA -0.879 54.834 56.100 -0.645 0.000 0.914 638 R CB 1.808 31.979 30.300 -0.215 0.000 1.191 638 R HN 0.553 nan 8.270 nan 0.000 0.435 639 R N 2.262 122.190 120.500 -0.953 0.000 2.725 639 R HA 0.385 4.725 4.340 0.000 0.000 0.277 639 R C -1.400 174.341 176.300 -0.932 0.000 0.987 639 R CA -0.941 54.631 56.100 -0.879 0.000 0.901 639 R CB 1.828 31.580 30.300 -0.913 0.000 1.207 639 R HN 0.546 nan 8.270 nan 0.000 0.463 640 Y N 1.633 121.535 120.300 -0.663 0.000 2.363 640 Y HA 0.450 5.000 4.550 0.000 0.000 0.325 640 Y C -0.397 175.269 175.900 -0.389 0.000 0.984 640 Y CA -0.520 57.356 58.100 -0.373 0.000 1.248 640 Y CB 1.140 39.422 38.460 -0.298 0.000 1.116 640 Y HN 0.372 nan 8.280 nan 0.000 0.470 641 F N 0.803 120.896 119.950 0.238 0.000 2.450 641 F HA 0.436 4.963 4.527 0.000 0.000 0.332 641 F C 0.690 176.694 175.800 0.339 0.000 1.093 641 F CA -1.136 57.001 58.000 0.228 0.000 1.003 641 F CB 1.631 40.694 39.000 0.106 0.000 1.151 641 F HN 0.249 nan 8.300 nan 0.000 0.474 642 T N 3.343 118.192 114.554 0.491 0.000 2.902 642 T HA 0.141 4.491 4.350 0.000 0.000 0.301 642 T C -1.042 173.872 174.700 0.357 0.000 1.012 642 T CA 0.643 62.923 62.100 0.299 0.000 1.151 642 T CB -0.166 68.799 68.868 0.160 0.000 0.946 642 T HN 0.392 nan 8.240 nan 0.000 0.542 643 F N 2.521 122.497 119.950 0.044 0.000 3.240 643 F HA 0.466 4.993 4.527 0.000 0.000 0.370 643 F C 0.515 176.373 175.800 0.096 0.000 1.271 643 F CA 0.359 58.447 58.000 0.147 0.000 1.224 643 F CB 0.253 39.414 39.000 0.269 0.000 1.624 643 F HN 0.907 nan 8.300 nan 0.000 0.658 644 G N 3.546 112.156 108.800 -0.318 0.000 2.550 644 G HA2 -0.185 3.775 3.960 0.000 0.000 0.277 644 G HA3 -0.185 3.775 3.960 0.000 0.000 0.277 644 G C 0.901 175.702 174.900 -0.164 0.000 1.190 644 G CA 0.043 45.021 45.100 -0.205 0.000 0.971 644 G HN 1.639 nan 8.290 nan 0.000 0.559 645 G N 0.635 109.385 108.800 -0.084 0.000 3.383 645 G HA2 0.658 4.618 3.960 0.000 0.000 0.251 645 G HA3 0.658 4.618 3.960 0.000 0.000 0.251 645 G C 0.572 175.411 174.900 -0.102 0.000 1.203 645 G CA 1.351 46.401 45.100 -0.084 0.000 0.852 645 G HN 1.850 nan 8.290 nan 0.000 0.531 646 G N -1.178 107.547 108.800 -0.125 0.000 2.706 646 G HA2 0.543 4.504 3.960 0.000 0.000 0.307 646 G HA3 0.543 4.504 3.960 0.000 0.000 0.307 646 G C -1.377 173.397 174.900 -0.209 0.000 1.307 646 G CA -0.858 44.143 45.100 -0.164 0.000 0.790 646 G HN 0.012 nan 8.290 nan 0.000 0.503 647 Y N -1.750 118.666 120.300 0.194 0.000 2.780 647 Y HA 0.791 5.341 4.550 0.000 0.000 0.340 647 Y C 0.102 176.138 175.900 0.227 0.000 1.216 647 Y CA -0.782 57.454 58.100 0.228 0.000 1.245 647 Y CB 1.858 40.441 38.460 0.206 0.000 1.492 647 Y HN 0.552 nan 8.280 nan 0.000 0.660 648 V N 0.157 120.294 119.914 0.373 0.000 2.775 648 V HA 0.284 4.405 4.120 0.000 0.000 0.295 648 V C -2.127 173.963 176.094 -0.007 0.000 1.226 648 V CA -0.756 61.623 62.300 0.132 0.000 0.934 648 V CB 1.099 33.011 31.823 0.148 0.000 1.056 648 V HN 0.585 nan 8.190 nan 0.000 0.436 649 Y N 6.537 126.551 120.300 -0.478 0.000 2.319 649 Y HA 0.655 5.205 4.550 0.000 0.000 0.328 649 Y C -0.881 174.743 175.900 -0.459 0.000 1.133 649 Y CA -0.612 57.107 58.100 -0.636 0.000 1.265 649 Y CB 1.411 39.380 38.460 -0.819 0.000 1.218 649 Y HN 0.635 nan 8.280 nan 0.000 0.508 650 F N 5.191 124.536 119.950 -1.008 0.000 2.810 650 F HA 0.263 4.791 4.527 0.000 0.000 0.373 650 F C -0.431 174.931 175.800 -0.730 0.000 1.174 650 F CA -0.686 56.957 58.000 -0.595 0.000 1.141 650 F CB 0.846 39.760 39.000 -0.144 0.000 1.420 650 F HN 0.501 nan 8.300 nan 0.000 0.518 651 E N 3.383 123.240 120.200 -0.571 0.000 2.216 651 E HA 0.243 4.593 4.350 0.000 0.000 0.279 651 E C -0.336 176.273 176.600 0.015 0.000 0.997 651 E CA -0.209 56.009 56.400 -0.303 0.000 0.817 651 E CB 0.669 30.306 29.700 -0.105 0.000 1.096 651 E HN 0.387 nan 8.360 nan 0.000 0.393 652 E N 3.328 123.597 120.200 0.114 0.000 2.271 652 E HA -0.272 4.078 4.350 0.000 0.000 0.223 652 E C -0.698 176.030 176.600 0.214 0.000 1.223 652 E CA 0.899 57.397 56.400 0.163 0.000 0.704 652 E CB -2.044 27.733 29.700 0.130 0.000 1.194 652 E HN 0.797 nan 8.360 nan 0.000 0.375 653 Y N -3.411 116.925 120.300 0.059 0.000 3.662 653 Y HA -0.319 4.231 4.550 0.000 0.000 0.213 653 Y C 0.868 176.976 175.900 0.347 0.000 1.133 653 Y CA 1.103 59.202 58.100 -0.002 0.000 1.463 653 Y CB -1.437 36.870 38.460 -0.255 0.000 1.423 653 Y HN 0.499 nan 8.280 nan 0.000 0.616 654 A N -0.812 122.262 122.820 0.423 0.000 2.374 654 A HA 0.566 4.886 4.320 0.000 0.000 0.305 654 A C -0.734 176.644 177.584 -0.343 0.000 1.053 654 A CA -0.864 51.292 52.037 0.198 0.000 0.726 654 A CB 0.529 19.599 19.000 0.117 0.000 1.229 654 A HN 0.246 nan 8.150 nan 0.000 0.431 655 Y N 2.424 122.246 120.300 -0.798 0.000 2.904 655 Y HA 0.148 4.698 4.550 0.000 0.000 0.336 655 Y C 1.332 176.895 175.900 -0.561 0.000 1.263 655 Y CA 1.946 59.299 58.100 -1.245 0.000 1.547 655 Y CB 0.849 38.959 38.460 -0.583 0.000 1.272 655 Y HN 0.733 nan 8.280 nan 0.000 0.596 656 S N 3.406 118.470 115.700 -1.060 0.000 3.142 656 S HA 0.212 4.682 4.470 0.000 0.000 0.223 656 S C -0.537 173.843 174.600 -0.368 0.000 0.939 656 S CA 0.559 58.522 58.200 -0.395 0.000 0.826 656 S CB -0.076 63.127 63.200 0.006 0.000 0.823 656 S HN 0.957 nan 8.310 nan 0.000 0.612 657 H N -0.458 118.181 119.070 -0.718 0.000 2.849 657 H HA 0.490 5.046 4.556 0.000 0.000 0.271 657 H C -1.728 173.487 175.328 -0.187 0.000 1.461 657 H CA -0.801 55.045 56.048 -0.337 0.000 1.146 657 H CB 0.148 29.861 29.762 -0.082 0.000 1.834 657 H HN 0.394 nan 8.280 nan 0.000 0.555 658 Q N 0.250 120.087 119.800 0.061 0.000 2.416 658 Q HA 0.756 5.096 4.340 0.000 0.000 0.279 658 Q C -0.656 175.460 176.000 0.194 0.000 1.101 658 Q CA -1.010 54.855 55.803 0.103 0.000 0.830 658 Q CB 3.337 32.221 28.738 0.243 0.000 1.402 658 Q HN 0.428 nan 8.270 nan 0.000 0.445 659 L N -0.225 121.123 121.223 0.208 0.000 2.397 659 L HA 0.588 4.928 4.340 0.000 0.000 0.251 659 L C -0.626 176.372 176.870 0.214 0.000 1.064 659 L CA -0.876 54.101 54.840 0.229 0.000 0.859 659 L CB 2.358 44.569 42.059 0.253 0.000 1.468 659 L HN 0.748 nan 8.230 nan 0.000 0.411 660 S N -1.296 114.515 115.700 0.185 0.000 2.621 660 S HA 0.488 4.958 4.470 0.000 0.000 0.302 660 S C 0.569 175.282 174.600 0.188 0.000 1.093 660 S CA -0.867 57.419 58.200 0.143 0.000 1.017 660 S CB 2.035 65.295 63.200 0.100 0.000 1.077 660 S HN 0.612 nan 8.310 nan 0.000 0.517 661 R N 0.722 121.308 120.500 0.143 0.000 2.127 661 R HA -0.116 4.224 4.340 0.000 0.000 0.238 661 R C 2.368 178.757 176.300 0.149 0.000 1.134 661 R CA 1.409 57.634 56.100 0.209 0.000 0.975 661 R CB -0.984 29.383 30.300 0.111 0.000 0.865 661 R HN 0.831 nan 8.270 nan 0.000 0.447 662 A N 1.478 124.359 122.820 0.100 0.000 2.019 662 A HA -0.172 4.148 4.320 0.000 0.000 0.219 662 A C 1.329 178.951 177.584 0.063 0.000 1.164 662 A CA 1.588 53.667 52.037 0.069 0.000 0.644 662 A CB -0.213 18.821 19.000 0.056 0.000 0.805 662 A HN 0.156 nan 8.150 nan 0.000 0.449 663 D N -0.556 119.894 120.400 0.085 0.000 2.371 663 D HA 0.052 4.692 4.640 0.000 0.000 0.221 663 D C 0.172 176.490 176.300 0.029 0.000 0.986 663 D CA 0.525 54.565 54.000 0.066 0.000 0.899 663 D CB 0.111 40.970 40.800 0.099 0.000 0.902 663 D HN 0.240 nan 8.370 nan 0.000 0.530 664 I N 1.134 121.720 120.570 0.027 0.000 2.404 664 I HA 0.095 4.265 4.170 0.000 0.000 0.293 664 I C 0.509 176.598 176.117 -0.047 0.000 0.992 664 I CA -0.458 60.808 61.300 -0.056 0.000 1.149 664 I CB 1.514 39.436 38.000 -0.130 0.000 1.315 664 I HN -0.337 nan 8.210 nan 0.000 0.446 665 T N 5.231 119.739 114.554 -0.077 0.000 2.934 665 T HA 0.126 4.476 4.350 0.000 0.000 0.306 665 T C 0.397 175.059 174.700 -0.065 0.000 1.042 665 T CA 0.397 62.460 62.100 -0.062 0.000 1.145 665 T CB 0.107 68.931 68.868 -0.073 0.000 0.982 665 T HN 0.556 nan 8.240 nan 0.000 0.544 666 T N 3.237 117.767 114.554 -0.041 0.000 2.812 666 T HA 0.546 4.896 4.350 0.000 0.000 0.282 666 T C 0.004 174.675 174.700 -0.049 0.000 0.990 666 T CA -0.781 61.295 62.100 -0.040 0.000 0.960 666 T CB 1.069 69.931 68.868 -0.010 0.000 0.948 666 T HN 0.552 nan 8.240 nan 0.000 0.438 667 V N 1.086 120.958 119.914 -0.070 0.000 2.547 667 V HA 0.853 4.973 4.120 0.000 0.000 0.299 667 V C 0.267 176.291 176.094 -0.117 0.000 1.040 667 V CA -0.834 61.420 62.300 -0.078 0.000 0.913 667 V CB 1.731 33.506 31.823 -0.080 0.000 0.992 667 V HN 0.780 nan 8.190 nan 0.000 0.449 668 S N 1.874 117.501 115.700 -0.122 0.000 2.578 668 S HA 0.503 4.973 4.470 0.000 0.000 0.283 668 S C 1.075 175.517 174.600 -0.264 0.000 1.195 668 S CA 0.152 58.218 58.200 -0.223 0.000 1.050 668 S CB 1.503 64.641 63.200 -0.104 0.000 1.012 668 S HN 1.209 nan 8.310 nan 0.000 0.511 669 T N 1.597 115.856 114.554 -0.491 0.000 3.060 669 T HA 0.328 4.678 4.350 0.000 0.000 0.249 669 T C 0.195 174.784 174.700 -0.186 0.000 1.079 669 T CA -0.113 61.789 62.100 -0.329 0.000 1.013 669 T CB -0.369 68.299 68.868 -0.332 0.000 0.975 669 T HN 0.379 nan 8.240 nan 0.000 0.518 670 F N 1.735 121.692 119.950 0.012 0.000 2.382 670 F HA 0.527 5.054 4.527 0.000 0.000 0.331 670 F C 0.662 176.473 175.800 0.019 0.000 1.121 670 F CA -2.648 55.364 58.000 0.020 0.000 1.183 670 F CB 0.282 39.297 39.000 0.024 0.000 1.207 670 F HN -0.014 nan 8.300 nan 0.000 0.555 671 I N 2.349 123.064 120.570 0.240 0.000 2.378 671 I HA 0.217 4.387 4.170 0.000 0.000 0.291 671 I C -0.098 176.089 176.117 0.116 0.000 0.992 671 I CA -0.898 60.485 61.300 0.137 0.000 1.154 671 I CB 1.030 39.091 38.000 0.101 0.000 1.315 671 I HN 0.441 nan 8.210 nan 0.000 0.448 672 D N 5.053 125.507 120.400 0.090 0.000 2.371 672 D HA 0.393 5.033 4.640 0.000 0.000 0.242 672 D C -0.273 176.055 176.300 0.047 0.000 1.218 672 D CA 0.029 54.068 54.000 0.064 0.000 0.945 672 D CB 1.529 42.362 40.800 0.054 0.000 1.137 672 D HN 0.254 nan 8.370 nan 0.000 0.464 673 L N 1.954 123.196 121.223 0.031 0.000 2.588 673 L HA 0.161 4.501 4.340 0.000 0.000 0.256 673 L C -1.084 175.793 176.870 0.011 0.000 1.083 673 L CA -0.521 54.333 54.840 0.023 0.000 0.909 673 L CB 0.574 42.648 42.059 0.025 0.000 1.121 673 L HN 0.113 nan 8.230 nan 0.000 0.470 674 N N 4.478 123.185 118.700 0.011 0.000 2.819 674 N HA 0.230 4.970 4.740 0.000 0.000 0.284 674 N C -0.705 174.806 175.510 0.002 0.000 1.196 674 N CA 0.221 53.274 53.050 0.006 0.000 1.114 674 N CB -0.164 38.328 38.487 0.009 0.000 1.437 674 N HN 0.633 nan 8.380 nan 0.000 0.518 675 I N 1.427 121.995 120.570 -0.004 0.000 2.385 675 I HA 0.249 4.419 4.170 0.000 0.000 0.294 675 I C 0.345 176.457 176.117 -0.009 0.000 0.988 675 I CA -0.428 60.867 61.300 -0.008 0.000 1.265 675 I CB 1.427 39.417 38.000 -0.016 0.000 1.388 675 I HN 0.353 nan 8.210 nan 0.000 0.480 676 T N 4.009 118.559 114.554 -0.007 0.000 2.900 676 T HA 0.540 4.890 4.350 0.000 0.000 0.295 676 T C -0.262 174.435 174.700 -0.006 0.000 1.044 676 T CA -1.101 60.995 62.100 -0.006 0.000 0.995 676 T CB 1.721 70.588 68.868 -0.002 0.000 1.072 676 T HN 0.210 nan 8.240 nan 0.000 0.473 677 M N 2.127 121.724 119.600 -0.005 0.000 2.228 677 M HA 0.331 4.811 4.480 0.000 0.000 0.326 677 M C -0.089 176.213 176.300 0.003 0.000 1.122 677 M CA -0.892 54.406 55.300 -0.003 0.000 1.161 677 M CB 0.462 33.060 32.600 -0.003 0.000 1.437 677 M HN 0.738 nan 8.290 nan 0.000 0.465 678 L N 3.145 124.373 121.223 0.008 0.000 2.319 678 L HA 0.189 4.529 4.340 0.000 0.000 0.280 678 L C 0.343 177.226 176.870 0.021 0.000 1.099 678 L CA 0.192 55.041 54.840 0.015 0.000 0.828 678 L CB 0.184 42.254 42.059 0.019 0.000 1.150 678 L HN 0.478 nan 8.230 nan 0.000 0.442 679 E N 2.966 123.180 120.200 0.023 0.000 2.408 679 E HA 0.033 4.383 4.350 0.000 0.000 0.259 679 E C -0.657 175.966 176.600 0.040 0.000 1.110 679 E CA -0.259 56.157 56.400 0.025 0.000 0.929 679 E CB 0.349 30.064 29.700 0.024 0.000 0.971 679 E HN 0.535 nan 8.360 nan 0.000 0.438 680 D N 1.515 121.930 120.400 0.025 0.000 2.417 680 D HA 0.019 4.659 4.640 0.000 0.000 0.250 680 D C -0.012 176.293 176.300 0.008 0.000 1.166 680 D CA 0.728 54.740 54.000 0.020 0.000 0.881 680 D CB 0.323 41.120 40.800 -0.004 0.000 1.164 680 D HN 0.268 nan 8.370 nan 0.000 0.467 681 H N 1.711 120.701 119.070 -0.133 0.000 2.538 681 H HA 0.282 4.838 4.556 0.000 0.000 0.353 681 H C -0.977 174.042 175.328 -0.515 0.000 1.109 681 H CA -0.540 55.327 56.048 -0.303 0.000 1.192 681 H CB 1.742 31.305 29.762 -0.332 0.000 1.555 681 H HN 0.413 nan 8.280 nan 0.000 0.518 682 E N 4.861 124.501 120.200 -0.933 0.000 2.171 682 E HA 0.253 4.603 4.350 0.000 0.000 0.271 682 E C -1.370 174.785 176.600 -0.742 0.000 0.916 682 E CA -0.806 55.210 56.400 -0.640 0.000 0.774 682 E CB 0.953 30.447 29.700 -0.343 0.000 1.128 682 E HN 0.319 nan 8.360 nan 0.000 0.403 683 F N 4.068 124.007 119.950 -0.019 0.000 2.411 683 F HA 0.270 4.797 4.527 0.000 0.000 0.352 683 F C 0.293 176.096 175.800 0.006 0.000 1.123 683 F CA -0.995 57.021 58.000 0.027 0.000 1.044 683 F CB 1.369 40.415 39.000 0.077 0.000 1.135 683 F HN 0.172 nan 8.300 nan 0.000 0.461 684 V N 1.032 121.028 119.914 0.137 0.000 2.716 684 V HA 0.676 4.796 4.120 0.000 0.000 0.304 684 V C -2.215 173.933 176.094 0.090 0.000 1.053 684 V CA -2.303 60.044 62.300 0.080 0.000 0.984 684 V CB 0.482 32.323 31.823 0.029 0.000 1.021 684 V HN 0.536 nan 8.190 nan 0.000 0.467 685 P HA 0.429 nan 4.420 nan 0.000 0.267 685 P C -0.931 176.397 177.300 0.048 0.000 1.201 685 P CA 0.016 63.148 63.100 0.055 0.000 0.775 685 P CB 0.286 32.011 31.700 0.041 0.000 0.854 686 L N 1.136 122.386 121.223 0.045 0.000 2.811 686 L HA 0.269 4.609 4.340 0.000 0.000 0.251 686 L C -1.087 175.801 176.870 0.029 0.000 0.971 686 L CA 0.038 54.899 54.840 0.034 0.000 0.990 686 L CB 1.026 43.111 42.059 0.044 0.000 1.320 686 L HN 0.297 nan 8.230 nan 0.000 0.473 687 E N 2.754 122.966 120.200 0.021 0.000 2.179 687 E HA 0.413 4.763 4.350 0.000 0.000 0.275 687 E C 0.555 177.141 176.600 -0.022 0.000 0.945 687 E CA -0.651 55.765 56.400 0.025 0.000 0.792 687 E CB 2.401 32.132 29.700 0.052 0.000 1.125 687 E HN 0.479 nan 8.360 nan 0.000 0.397 688 V N 2.657 122.553 119.914 -0.030 0.000 2.307 688 V HA -0.174 3.946 4.120 0.000 0.000 0.245 688 V C 0.121 175.971 176.094 -0.406 0.000 1.045 688 V CA 1.323 63.512 62.300 -0.185 0.000 1.024 688 V CB -0.377 31.398 31.823 -0.079 0.000 0.651 688 V HN 0.574 nan 8.190 nan 0.000 0.449 689 Y N 0.214 120.534 120.300 0.034 0.000 2.349 689 Y HA 0.440 4.990 4.550 0.000 0.000 0.324 689 Y C 0.622 176.552 175.900 0.050 0.000 1.005 689 Y CA -1.077 57.045 58.100 0.038 0.000 1.240 689 Y CB 1.109 39.587 38.460 0.031 0.000 1.117 689 Y HN 0.072 nan 8.280 nan 0.000 0.463 690 T N -0.981 113.678 114.554 0.175 0.000 2.937 690 T HA 0.059 4.409 4.350 0.000 0.000 0.316 690 T C 1.293 176.112 174.700 0.198 0.000 1.079 690 T CA -0.537 61.668 62.100 0.176 0.000 1.131 690 T CB 0.841 69.809 68.868 0.167 0.000 1.000 690 T HN 0.888 nan 8.240 nan 0.000 0.549 691 R N 1.036 121.636 120.500 0.166 0.000 2.249 691 R HA -0.152 4.188 4.340 0.000 0.000 0.230 691 R C 1.239 177.506 176.300 -0.055 0.000 1.121 691 R CA 1.719 57.833 56.100 0.023 0.000 0.997 691 R CB -0.790 29.466 30.300 -0.074 0.000 0.867 691 R HN 0.827 nan 8.270 nan 0.000 0.465 692 H N 0.703 119.801 119.070 0.047 0.000 2.512 692 H HA 0.111 4.667 4.556 0.000 0.000 0.279 692 H C 1.304 176.661 175.328 0.050 0.000 0.999 692 H CA 1.065 57.137 56.048 0.040 0.000 1.283 692 H CB 0.130 29.912 29.762 0.033 0.000 1.421 692 H HN 0.436 nan 8.280 nan 0.000 0.554 693 E N 0.300 120.616 120.200 0.194 0.000 2.204 693 E HA -0.093 4.257 4.350 0.000 0.000 0.194 693 E C 1.250 177.913 176.600 0.105 0.000 0.989 693 E CA 0.554 57.053 56.400 0.166 0.000 0.824 693 E CB 0.190 30.037 29.700 0.244 0.000 0.756 693 E HN 0.430 nan 8.360 nan 0.000 0.477 694 I N 1.191 121.801 120.570 0.067 0.000 2.584 694 I HA -0.143 4.027 4.170 0.000 0.000 0.255 694 I C 2.314 178.423 176.117 -0.012 0.000 1.145 694 I CA 0.794 62.092 61.300 -0.003 0.000 1.462 694 I CB -0.744 37.245 38.000 -0.018 0.000 1.102 694 I HN 0.029 nan 8.210 nan 0.000 0.433 695 K N 1.701 122.098 120.400 -0.005 0.000 2.002 695 K HA -0.248 4.072 4.320 0.000 0.000 0.209 695 K C 1.638 178.245 176.600 0.012 0.000 1.048 695 K CA 2.140 58.422 56.287 -0.009 0.000 0.930 695 K CB -0.380 32.110 32.500 -0.017 0.000 0.714 695 K HN 0.217 nan 8.250 nan 0.000 0.438 696 D N 0.511 120.930 120.400 0.032 0.000 2.219 696 D HA -0.111 4.529 4.640 0.000 0.000 0.205 696 D C 1.817 178.128 176.300 0.020 0.000 0.970 696 D CA 1.536 55.556 54.000 0.033 0.000 0.851 696 D CB 0.030 40.860 40.800 0.049 0.000 0.943 696 D HN 0.314 nan 8.370 nan 0.000 0.488 697 S N -0.437 115.268 115.700 0.010 0.000 2.368 697 S HA -0.113 4.357 4.470 0.000 0.000 0.226 697 S C 1.606 176.198 174.600 -0.013 0.000 1.044 697 S CA 0.999 59.193 58.200 -0.011 0.000 1.062 697 S CB -1.579 61.592 63.200 -0.048 0.000 0.931 697 S HN 0.311 nan 8.310 nan 0.000 0.440 698 G N 1.985 110.777 108.800 -0.013 0.000 2.305 698 G HA2 0.358 4.318 3.960 0.000 0.000 0.243 698 G HA3 0.358 4.318 3.960 0.000 0.000 0.243 698 G C 0.490 175.390 174.900 0.000 0.000 1.288 698 G CA -0.072 45.023 45.100 -0.010 0.000 0.901 698 G HN 0.358 nan 8.290 nan 0.000 0.516 699 L N 3.402 124.624 121.223 -0.002 0.000 1.899 699 L HA 0.078 4.418 4.340 0.000 0.000 0.223 699 L C 1.599 178.475 176.870 0.011 0.000 1.088 699 L CA 1.279 56.120 54.840 0.003 0.000 0.788 699 L CB -0.832 41.225 42.059 -0.003 0.000 0.889 699 L HN 0.490 nan 8.230 nan 0.000 0.431 700 L N 0.779 122.010 121.223 0.014 0.000 2.416 700 L HA 0.082 4.422 4.340 0.000 0.000 0.272 700 L C -0.573 176.323 176.870 0.044 0.000 1.161 700 L CA 0.035 54.892 54.840 0.029 0.000 0.845 700 L CB 0.405 42.485 42.059 0.034 0.000 1.119 700 L HN 0.341 nan 8.230 nan 0.000 0.464 701 D N 1.489 121.918 120.400 0.048 0.000 2.454 701 D HA 0.066 4.706 4.640 0.000 0.000 0.225 701 D C 0.596 176.948 176.300 0.086 0.000 1.081 701 D CA -0.369 53.667 54.000 0.060 0.000 0.864 701 D CB 0.622 41.442 40.800 0.033 0.000 1.040 701 D HN 0.348 nan 8.370 nan 0.000 0.517 702 Y N 2.812 123.109 120.300 -0.006 0.000 2.069 702 Y HA -0.321 4.229 4.550 0.000 0.000 0.278 702 Y C 1.906 177.806 175.900 -0.000 0.000 1.175 702 Y CA 2.206 60.304 58.100 -0.004 0.000 1.134 702 Y CB -0.617 37.841 38.460 -0.003 0.000 0.965 702 Y HN 0.370 nan 8.280 nan 0.000 0.498 703 T N -0.163 114.342 114.554 -0.081 0.000 2.708 703 T HA -0.189 4.161 4.350 0.000 0.000 0.266 703 T C 1.660 176.274 174.700 -0.143 0.000 1.037 703 T CA 1.709 63.709 62.100 -0.166 0.000 1.146 703 T CB -0.264 68.582 68.868 -0.037 0.000 0.865 703 T HN 0.237 nan 8.240 nan 0.000 0.435 704 E N 0.418 120.577 120.200 -0.070 0.000 2.106 704 E HA -0.048 4.302 4.350 0.000 0.000 0.192 704 E C 2.176 178.741 176.600 -0.059 0.000 0.984 704 E CA 0.479 56.851 56.400 -0.047 0.000 0.806 704 E CB -0.379 29.312 29.700 -0.014 0.000 0.750 704 E HN 0.248 nan 8.360 nan 0.000 0.458 705 V N 0.683 120.554 119.914 -0.071 0.000 2.427 705 V HA -0.211 3.909 4.120 0.000 0.000 0.248 705 V C 2.264 178.298 176.094 -0.100 0.000 1.051 705 V CA 1.430 63.693 62.300 -0.061 0.000 1.048 705 V CB -0.402 31.401 31.823 -0.033 0.000 0.666 705 V HN 0.253 nan 8.190 nan 0.000 0.456 706 Q N -0.168 119.509 119.800 -0.205 0.000 2.079 706 Q HA -0.145 4.195 4.340 0.000 0.000 0.200 706 Q C 2.456 178.381 176.000 -0.126 0.000 0.974 706 Q CA 1.256 56.928 55.803 -0.219 0.000 0.840 706 Q CB -0.526 27.958 28.738 -0.423 0.000 0.898 706 Q HN 0.434 nan 8.270 nan 0.000 0.430 707 R N 1.137 121.569 120.500 -0.114 0.000 2.083 707 R HA -0.176 4.164 4.340 0.000 0.000 0.237 707 R C 2.169 178.449 176.300 -0.033 0.000 1.137 707 R CA 1.904 57.966 56.100 -0.065 0.000 0.951 707 R CB -0.195 30.072 30.300 -0.055 0.000 0.851 707 R HN 0.136 nan 8.270 nan 0.000 0.434 708 R N 0.670 121.155 120.500 -0.026 0.000 2.062 708 R HA -0.059 4.281 4.340 0.000 0.000 0.231 708 R C 1.791 178.112 176.300 0.034 0.000 1.136 708 R CA 2.145 58.250 56.100 0.008 0.000 0.948 708 R CB -0.618 29.690 30.300 0.013 0.000 0.845 708 R HN 0.184 nan 8.270 nan 0.000 0.430 709 N N 0.472 119.181 118.700 0.014 0.000 2.453 709 N HA -0.093 4.648 4.740 0.000 0.000 0.183 709 N C 0.680 176.220 175.510 0.049 0.000 1.041 709 N CA 0.936 54.004 53.050 0.031 0.000 0.900 709 N CB 0.133 38.611 38.487 -0.014 0.000 0.961 709 N HN 0.487 nan 8.380 nan 0.000 0.443 710 Q N -0.392 119.424 119.800 0.026 0.000 2.246 710 Q HA 0.219 4.559 4.340 0.000 0.000 0.202 710 Q C 0.785 176.812 176.000 0.046 0.000 0.883 710 Q CA 0.027 55.849 55.803 0.031 0.000 0.952 710 Q CB 0.452 29.189 28.738 -0.003 0.000 1.078 710 Q HN 0.348 nan 8.270 nan 0.000 0.493 711 L N -1.378 119.884 121.223 0.065 0.000 2.640 711 L HA 0.077 4.417 4.340 0.000 0.000 0.230 711 L C 1.734 178.647 176.870 0.072 0.000 1.123 711 L CA 0.051 54.914 54.840 0.038 0.000 0.900 711 L CB -0.003 42.057 42.059 0.002 0.000 1.146 711 L HN 0.237 nan 8.230 nan 0.000 0.484 712 H N 0.953 120.068 119.070 0.076 0.000 2.353 712 H HA -0.222 4.334 4.556 0.000 0.000 0.298 712 H C 1.593 177.023 175.328 0.171 0.000 1.103 712 H CA 2.240 58.406 56.048 0.196 0.000 1.293 712 H CB 0.274 30.136 29.762 0.167 0.000 1.372 712 H HN 0.246 nan 8.280 nan 0.000 0.501 713 D N -0.453 120.027 120.400 0.133 0.000 2.162 713 D HA -0.053 4.587 4.640 0.000 0.000 0.203 713 D C 1.957 178.241 176.300 -0.026 0.000 0.967 713 D CA 0.658 54.692 54.000 0.057 0.000 0.840 713 D CB -0.160 40.682 40.800 0.069 0.000 0.972 713 D HN 0.361 nan 8.370 nan 0.000 0.482 714 L N 0.028 121.224 121.223 -0.045 0.000 2.622 714 L HA 0.050 4.390 4.340 0.000 0.000 0.233 714 L C 1.882 178.647 176.870 -0.174 0.000 1.156 714 L CA 0.670 55.459 54.840 -0.084 0.000 0.866 714 L CB 0.076 42.097 42.059 -0.063 0.000 0.980 714 L HN -0.053 nan 8.230 nan 0.000 0.448 715 R N -2.245 118.080 120.500 -0.291 0.000 2.383 715 R HA 0.188 4.528 4.340 0.000 0.000 0.205 715 R C 1.029 176.839 176.300 -0.817 0.000 0.875 715 R CA 0.277 56.011 56.100 -0.610 0.000 1.039 715 R CB 0.380 30.165 30.300 -0.857 0.000 1.267 715 R HN 0.170 nan 8.270 nan 0.000 0.635 716 F N -0.320 119.510 119.950 -0.200 0.000 2.817 716 F HA 0.482 5.009 4.527 0.000 0.000 0.333 716 F C 0.561 176.281 175.800 -0.133 0.000 1.085 716 F CA -0.568 57.309 58.000 -0.206 0.000 1.170 716 F CB 1.133 39.907 39.000 -0.376 0.000 1.066 716 F HN -0.083 nan 8.300 nan 0.000 0.564 717 A N -0.521 122.310 122.820 0.018 0.000 2.483 717 A HA 0.619 4.939 4.320 0.000 0.000 0.286 717 A C -1.552 176.028 177.584 -0.005 0.000 1.207 717 A CA -0.418 51.632 52.037 0.022 0.000 0.764 717 A CB 1.081 20.107 19.000 0.043 0.000 1.341 717 A HN -0.066 nan 8.150 nan 0.000 0.428 718 D N 0.990 121.391 120.400 0.001 0.000 2.462 718 D HA 0.263 4.903 4.640 0.000 0.000 0.249 718 D C 0.798 177.096 176.300 -0.003 0.000 1.117 718 D CA -0.361 53.635 54.000 -0.007 0.000 0.900 718 D CB 0.338 41.135 40.800 -0.005 0.000 1.039 718 D HN 0.494 nan 8.370 nan 0.000 0.516 719 I N -0.568 120.000 120.570 -0.004 0.000 3.456 719 I HA 0.101 4.271 4.170 0.000 0.000 0.291 719 I C -0.051 176.065 176.117 -0.002 0.000 1.307 719 I CA 0.576 61.876 61.300 0.001 0.000 1.333 719 I CB 0.311 38.312 38.000 0.001 0.000 1.032 719 I HN -0.025 nan 8.210 nan 0.000 0.506 720 D N 0.433 120.831 120.400 -0.004 0.000 2.526 720 D HA 0.088 4.728 4.640 0.000 0.000 0.293 720 D C 0.627 176.926 176.300 -0.001 0.000 1.081 720 D CA 0.449 54.447 54.000 -0.003 0.000 0.924 720 D CB 0.267 41.064 40.800 -0.005 0.000 1.498 720 D HN 0.159 nan 8.370 nan 0.000 0.497 721 T N 1.655 116.208 114.554 -0.001 0.000 2.933 721 T HA 0.172 4.522 4.350 0.000 0.000 0.306 721 T C 0.209 174.910 174.700 0.001 0.000 1.045 721 T CA 0.360 62.461 62.100 0.002 0.000 1.143 721 T CB 0.974 69.843 68.868 0.002 0.000 1.003 721 T HN -0.247 nan 8.240 nan 0.000 0.540 722 V N 5.037 124.954 119.914 0.006 0.000 2.540 722 V HA 0.442 4.562 4.120 0.000 0.000 0.302 722 V C -0.220 175.878 176.094 0.006 0.000 1.035 722 V CA -0.894 61.408 62.300 0.002 0.000 0.873 722 V CB 1.766 33.594 31.823 0.008 0.000 0.992 722 V HN 0.652 nan 8.190 nan 0.000 0.428 723 I N 5.608 126.160 120.570 -0.030 0.000 2.331 723 I HA 0.349 4.519 4.170 0.000 0.000 0.292 723 I C 0.917 176.958 176.117 -0.128 0.000 0.998 723 I CA -0.236 61.013 61.300 -0.085 0.000 1.267 723 I CB 0.847 38.745 38.000 -0.170 0.000 1.386 723 I HN 0.768 nan 8.210 nan 0.000 0.476 724 H N 0.000 119.067 119.070 -0.004 0.000 2.539 724 H HA 0.000 4.556 4.556 0.000 0.000 0.296 724 H CA 0.000 56.045 56.048 -0.004 0.000 1.023 724 H CB 0.000 29.760 29.762 -0.004 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496