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 1cdg_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKC DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNWDPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.561 177.584 -0.038 0.000 1.274 1 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 1 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 2 P HA 0.235 nan 4.420 nan 0.000 0.274 2 P C 0.204 177.465 177.300 -0.065 0.000 1.246 2 P CA 0.114 63.184 63.100 -0.050 0.000 0.795 2 P CB 0.500 32.167 31.700 -0.056 0.000 1.006 3 D N -0.374 119.991 120.400 -0.059 0.000 2.190 3 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 3 D C 1.021 177.254 176.300 -0.110 0.000 0.992 3 D CA 2.110 56.074 54.000 -0.061 0.000 0.854 3 D CB -1.472 39.323 40.800 -0.008 0.000 0.936 3 D HN 0.463 nan 8.370 nan 0.000 0.462 4 T N -2.778 111.703 114.554 -0.121 0.000 3.129 4 T HA 0.078 4.428 4.350 -0.000 0.000 0.251 4 T C 1.001 175.599 174.700 -0.169 0.000 1.117 4 T CA -0.060 61.942 62.100 -0.162 0.000 1.034 4 T CB -0.174 68.605 68.868 -0.149 0.000 0.968 4 T HN 0.167 nan 8.240 nan 0.000 0.526 5 S N 0.621 116.232 115.700 -0.148 0.000 2.568 5 S HA 0.150 4.620 4.470 -0.000 0.000 0.282 5 S C 1.536 176.020 174.600 -0.193 0.000 1.338 5 S CA -0.358 57.755 58.200 -0.146 0.000 1.045 5 S CB 1.123 64.253 63.200 -0.117 0.000 0.873 5 S HN 0.217 nan 8.310 nan 0.000 0.516 6 V N 4.436 124.235 119.914 -0.191 0.000 2.660 6 V HA -0.118 4.002 4.120 -0.000 0.000 0.257 6 V C 2.243 178.167 176.094 -0.283 0.000 1.088 6 V CA 2.645 64.802 62.300 -0.237 0.000 1.106 6 V CB -0.987 30.714 31.823 -0.203 0.000 0.686 6 V HN 1.044 nan 8.190 nan 0.000 0.481 7 S N -0.330 115.234 115.700 -0.227 0.000 2.561 7 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 7 S C 1.111 175.612 174.600 -0.165 0.000 0.977 7 S CA 0.358 58.435 58.200 -0.204 0.000 0.926 7 S CB -0.629 62.483 63.200 -0.148 0.000 0.769 7 S HN 0.620 nan 8.310 nan 0.000 0.533 8 N N 2.561 121.148 118.700 -0.189 0.000 2.466 8 N HA 0.166 4.906 4.740 -0.000 0.000 0.263 8 N C 0.302 175.716 175.510 -0.160 0.000 1.178 8 N CA 0.038 52.993 53.050 -0.158 0.000 0.983 8 N CB 0.326 38.706 38.487 -0.179 0.000 1.331 8 N HN 0.452 nan 8.380 nan 0.000 0.500 9 K N 1.674 122.054 120.400 -0.032 0.000 2.525 9 K HA -0.023 4.297 4.320 -0.000 0.000 0.192 9 K C 0.617 177.383 176.600 0.276 0.000 1.029 9 K CA 0.590 56.954 56.287 0.128 0.000 1.029 9 K CB 0.453 33.049 32.500 0.161 0.000 0.814 9 K HN 0.404 nan 8.250 nan 0.000 0.503 10 Q N 0.214 120.118 119.800 0.174 0.000 2.356 10 Q HA 0.081 4.421 4.340 -0.000 0.000 0.205 10 Q C -0.388 175.792 176.000 0.300 0.000 0.901 10 Q CA 0.177 56.144 55.803 0.273 0.000 0.938 10 Q CB 0.528 29.385 28.738 0.197 0.000 1.081 10 Q HN 0.072 nan 8.270 nan 0.000 0.517 11 N N -0.677 118.058 118.700 0.057 0.000 2.500 11 N HA 0.159 4.899 4.740 -0.000 0.000 0.291 11 N C -1.381 173.881 175.510 -0.412 0.000 1.092 11 N CA -0.309 52.591 53.050 -0.250 0.000 0.890 11 N CB 0.512 38.797 38.487 -0.336 0.000 1.466 11 N HN -0.138 nan 8.380 nan 0.000 0.507 12 F N 1.164 120.630 119.950 -0.808 0.000 2.661 12 F HA 0.300 4.827 4.527 -0.000 0.000 0.306 12 F C 1.874 177.351 175.800 -0.539 0.000 1.094 12 F CA -0.137 57.449 58.000 -0.691 0.000 1.254 12 F CB 0.341 38.816 39.000 -0.875 0.000 1.040 12 F HN 0.427 nan 8.300 nan 0.000 0.562 13 S N -0.598 114.859 115.700 -0.405 0.000 2.442 13 S HA -0.158 4.311 4.470 -0.000 0.000 0.236 13 S C 2.142 176.498 174.600 -0.407 0.000 1.007 13 S CA 1.778 59.759 58.200 -0.364 0.000 0.965 13 S CB -0.521 62.477 63.200 -0.336 0.000 0.773 13 S HN 0.534 nan 8.310 nan 0.000 0.504 14 T N -0.661 113.644 114.554 -0.415 0.000 3.086 14 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 14 T C 0.118 174.647 174.700 -0.285 0.000 1.074 14 T CA -0.293 61.579 62.100 -0.381 0.000 0.988 14 T CB 0.016 68.661 68.868 -0.371 0.000 0.988 14 T HN 0.070 nan 8.240 nan 0.000 0.530 15 D N 0.848 121.093 120.400 -0.259 0.000 2.437 15 D HA 0.508 5.148 4.640 -0.000 0.000 0.259 15 D C -0.769 175.465 176.300 -0.110 0.000 1.118 15 D CA -0.491 53.401 54.000 -0.180 0.000 1.017 15 D CB 2.312 43.005 40.800 -0.179 0.000 1.120 15 D HN 0.020 nan 8.370 nan 0.000 0.541 16 V N 1.700 121.581 119.914 -0.054 0.000 2.409 16 V HA 0.302 4.422 4.120 -0.000 0.000 0.290 16 V C 0.183 176.324 176.094 0.078 0.000 1.017 16 V CA -0.625 61.668 62.300 -0.012 0.000 0.841 16 V CB 1.316 33.115 31.823 -0.040 0.000 1.003 16 V HN 0.344 nan 8.190 nan 0.000 0.426 17 I N 4.574 125.225 120.570 0.136 0.000 2.428 17 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 17 I C -0.729 175.565 176.117 0.294 0.000 1.019 17 I CA -0.425 61.024 61.300 0.248 0.000 1.351 17 I CB 0.921 39.098 38.000 0.296 0.000 1.412 17 I HN 0.604 nan 8.210 nan 0.000 0.513 18 Y N 6.189 126.582 120.300 0.156 0.000 2.334 18 Y HA 0.253 4.803 4.550 -0.000 0.000 0.336 18 Y C -0.058 175.910 175.900 0.114 0.000 0.960 18 Y CA -0.539 57.627 58.100 0.110 0.000 1.164 18 Y CB 0.951 39.438 38.460 0.046 0.000 1.155 18 Y HN 0.490 nan 8.280 nan 0.000 0.478 19 Q N 7.046 126.750 119.800 -0.160 0.000 2.314 19 Q HA 0.436 4.776 4.340 -0.000 0.000 0.257 19 Q C -1.361 174.485 176.000 -0.256 0.000 0.975 19 Q CA -0.230 55.402 55.803 -0.285 0.000 0.933 19 Q CB 0.543 28.983 28.738 -0.496 0.000 1.195 19 Q HN 0.799 nan 8.270 nan 0.000 0.426 20 I N 3.591 124.006 120.570 -0.258 0.000 2.474 20 I HA 0.257 4.427 4.170 -0.000 0.000 0.294 20 I C -0.775 175.204 176.117 -0.230 0.000 1.005 20 I CA -0.827 60.305 61.300 -0.280 0.000 1.113 20 I CB 1.277 39.063 38.000 -0.358 0.000 1.289 20 I HN 0.565 nan 8.210 nan 0.000 0.436 21 F N 4.704 124.373 119.950 -0.468 0.000 2.368 21 F HA 0.170 4.697 4.527 -0.000 0.000 0.362 21 F C 1.673 177.302 175.800 -0.286 0.000 1.137 21 F CA -0.076 57.755 58.000 -0.283 0.000 1.161 21 F CB 0.812 39.728 39.000 -0.140 0.000 1.265 21 F HN 0.530 nan 8.300 nan 0.000 0.530 22 T N 1.194 115.577 114.554 -0.284 0.000 2.685 22 T HA -0.314 4.036 4.350 -0.000 0.000 0.268 22 T C 1.701 176.364 174.700 -0.060 0.000 1.034 22 T CA 2.076 64.025 62.100 -0.251 0.000 1.149 22 T CB -0.202 68.269 68.868 -0.661 0.000 0.860 22 T HN 0.566 nan 8.240 nan 0.000 0.449 23 D N 0.485 120.907 120.400 0.037 0.000 2.219 23 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 23 D C 1.968 178.372 176.300 0.173 0.000 0.970 23 D CA 0.716 54.845 54.000 0.216 0.000 0.851 23 D CB 0.135 41.152 40.800 0.361 0.000 0.943 23 D HN 0.141 nan 8.370 nan 0.000 0.488 24 R N -0.748 119.830 120.500 0.129 0.000 2.393 24 R HA 0.113 4.453 4.340 -0.000 0.000 0.244 24 R C 1.013 177.345 176.300 0.053 0.000 0.920 24 R CA -0.184 55.958 56.100 0.070 0.000 1.076 24 R CB -0.402 29.940 30.300 0.071 0.000 1.119 24 R HN 0.279 nan 8.270 nan 0.000 0.524 25 F N 0.787 120.685 119.950 -0.087 0.000 2.135 25 F HA 0.209 4.736 4.527 -0.000 0.000 0.280 25 F C 0.437 176.335 175.800 0.163 0.000 1.109 25 F CA 0.557 58.560 58.000 0.006 0.000 1.163 25 F CB 0.315 39.308 39.000 -0.011 0.000 1.062 25 F HN -0.170 nan 8.300 nan 0.000 0.496 26 S N -0.037 115.741 115.700 0.129 0.000 2.649 26 S HA 0.205 4.674 4.470 -0.000 0.000 0.274 26 S C -1.794 172.867 174.600 0.101 0.000 1.176 26 S CA -0.851 57.374 58.200 0.042 0.000 0.988 26 S CB 0.730 63.866 63.200 -0.107 0.000 1.071 26 S HN 0.271 nan 8.310 nan 0.000 0.478 27 D N 3.675 124.129 120.400 0.091 0.000 2.435 27 D HA 0.369 5.009 4.640 -0.000 0.000 0.230 27 D C 1.132 177.475 176.300 0.072 0.000 1.215 27 D CA 0.057 54.116 54.000 0.099 0.000 0.947 27 D CB 0.369 41.242 40.800 0.121 0.000 1.048 27 D HN 0.682 nan 8.370 nan 0.000 0.512 28 G N 3.091 111.934 108.800 0.071 0.000 3.088 28 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 28 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 28 G C 0.504 175.432 174.900 0.046 0.000 1.159 28 G CA -0.399 44.733 45.100 0.053 0.000 0.760 28 G HN 0.481 nan 8.290 nan 0.000 0.550 29 N N -0.209 118.516 118.700 0.043 0.000 2.701 29 N HA 0.269 5.009 4.740 -0.000 0.000 0.258 29 N C -2.081 173.429 175.510 0.000 0.000 1.262 29 N CA -1.676 51.388 53.050 0.024 0.000 0.780 29 N CB 2.173 40.679 38.487 0.032 0.000 1.380 29 N HN -0.194 nan 8.380 nan 0.000 0.548 30 P HA -0.019 nan 4.420 nan 0.000 0.223 30 P C 0.953 178.199 177.300 -0.090 0.000 1.151 30 P CA 0.672 63.751 63.100 -0.036 0.000 0.787 30 P CB 0.264 31.956 31.700 -0.013 0.000 0.788 31 A N 1.278 124.060 122.820 -0.065 0.000 2.015 31 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 31 A C 1.700 179.218 177.584 -0.108 0.000 1.163 31 A CA 1.626 53.616 52.037 -0.079 0.000 0.646 31 A CB -1.393 17.579 19.000 -0.046 0.000 0.806 31 A HN 0.345 nan 8.150 nan 0.000 0.448 32 N N -0.175 118.462 118.700 -0.106 0.000 2.322 32 N HA 0.030 4.770 4.740 -0.000 0.000 0.194 32 N C -0.608 174.780 175.510 -0.203 0.000 1.126 32 N CA -0.275 52.697 53.050 -0.131 0.000 0.845 32 N CB -0.538 37.891 38.487 -0.098 0.000 0.976 32 N HN 0.179 nan 8.380 nan 0.000 0.475 33 N N 2.216 120.757 118.700 -0.265 0.000 2.513 33 N HA 0.238 4.978 4.740 -0.000 0.000 0.268 33 N C -2.310 172.887 175.510 -0.522 0.000 1.180 33 N CA -1.226 51.566 53.050 -0.431 0.000 0.948 33 N CB 0.318 38.371 38.487 -0.725 0.000 1.083 33 N HN 0.186 nan 8.380 nan 0.000 0.455 34 P HA 0.070 nan 4.420 nan 0.000 0.270 34 P C -0.131 176.946 177.300 -0.372 0.000 1.223 34 P CA -0.139 62.741 63.100 -0.366 0.000 0.785 34 P CB 0.365 31.864 31.700 -0.336 0.000 0.923 35 T N -2.492 111.959 114.554 -0.171 0.000 2.932 35 T HA 0.672 5.022 4.350 -0.000 0.000 0.289 35 T C 0.511 175.238 174.700 0.044 0.000 1.039 35 T CA 0.034 62.079 62.100 -0.091 0.000 1.024 35 T CB 1.436 70.242 68.868 -0.104 0.000 1.090 35 T HN 0.759 nan 8.240 nan 0.000 0.496 36 G N 1.203 110.055 108.800 0.087 0.000 2.547 36 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.271 36 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.271 36 G C 1.115 176.097 174.900 0.135 0.000 1.209 36 G CA 0.426 45.583 45.100 0.096 0.000 0.959 36 G HN 1.859 nan 8.290 nan 0.000 0.563 37 A N -0.284 122.597 122.820 0.101 0.000 2.225 37 A HA 0.405 4.724 4.320 -0.000 0.000 0.215 37 A C 2.617 180.284 177.584 0.139 0.000 1.164 37 A CA 2.676 54.775 52.037 0.102 0.000 0.710 37 A CB -0.657 18.389 19.000 0.076 0.000 0.780 37 A HN 2.239 nan 8.150 nan 0.000 0.473 38 A N -1.919 121.012 122.820 0.185 0.000 2.147 38 A HA 0.477 4.797 4.320 -0.000 0.000 0.211 38 A C 0.393 178.190 177.584 0.355 0.000 1.160 38 A CA 0.049 52.241 52.037 0.258 0.000 0.781 38 A CB -0.087 19.064 19.000 0.252 0.000 0.842 38 A HN 0.461 nan 8.150 nan 0.000 0.475 39 F N 0.077 120.086 119.950 0.099 0.000 2.480 39 F HA 0.601 5.127 4.527 -0.000 0.000 0.329 39 F C -1.251 174.585 175.800 0.060 0.000 1.091 39 F CA -1.611 56.442 58.000 0.089 0.000 0.972 39 F CB 1.771 40.796 39.000 0.041 0.000 1.150 39 F HN -0.004 nan 8.300 nan 0.000 0.467 40 D N 3.137 123.013 120.400 -0.873 0.000 2.330 40 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 40 D C 0.796 176.534 176.300 -0.936 0.000 1.306 40 D CA -0.112 53.476 54.000 -0.687 0.000 0.956 40 D CB 1.056 41.675 40.800 -0.302 0.000 1.261 40 D HN 0.706 nan 8.370 nan 0.000 0.544 41 G N 1.627 109.828 108.800 -0.998 0.000 2.498 41 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 41 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 41 G C 1.297 176.073 174.900 -0.207 0.000 1.119 41 G CA 1.429 46.234 45.100 -0.491 0.000 0.766 41 G HN 0.534 nan 8.290 nan 0.000 0.552 42 T N -3.996 110.441 114.554 -0.194 0.000 3.081 42 T HA 0.041 4.391 4.350 -0.000 0.000 0.255 42 T C 1.284 175.913 174.700 -0.118 0.000 1.113 42 T CA 0.527 62.559 62.100 -0.113 0.000 1.082 42 T CB -0.490 68.326 68.868 -0.088 0.000 0.939 42 T HN 0.548 nan 8.240 nan 0.000 0.506 43 c N 1.784 120.281 118.600 -0.172 0.000 4.300 43 c HA -0.190 4.380 4.570 -0.000 0.000 0.304 43 c C 1.517 175.541 174.090 -0.110 0.000 1.367 43 c CA 0.955 57.196 56.329 -0.146 0.000 2.032 43 c CB -2.681 39.768 42.510 -0.103 0.000 1.285 43 c HN 0.783 nan 8.230 nan 0.000 0.737 44 T N -0.373 114.116 114.554 -0.108 0.000 3.044 44 T HA 0.015 4.365 4.350 -0.000 0.000 0.255 44 T C 0.688 175.343 174.700 -0.074 0.000 1.073 44 T CA 1.072 63.127 62.100 -0.076 0.000 1.125 44 T CB -0.145 68.685 68.868 -0.062 0.000 0.908 44 T HN 0.706 nan 8.240 nan 0.000 0.480 45 N N 1.964 120.609 118.700 -0.092 0.000 2.462 45 N HA 0.202 4.942 4.740 -0.000 0.000 0.242 45 N C 0.542 175.976 175.510 -0.127 0.000 1.010 45 N CA -0.256 52.744 53.050 -0.083 0.000 0.939 45 N CB 0.449 38.898 38.487 -0.063 0.000 1.127 45 N HN 0.196 nan 8.380 nan 0.000 0.509 46 L N 2.765 123.915 121.223 -0.122 0.000 2.622 46 L HA 0.063 4.403 4.340 -0.000 0.000 0.233 46 L C 1.482 178.172 176.870 -0.299 0.000 1.156 46 L CA 0.521 55.246 54.840 -0.191 0.000 0.866 46 L CB 0.002 41.992 42.059 -0.114 0.000 0.980 46 L HN 0.414 nan 8.230 nan 0.000 0.448 47 R N -1.289 119.105 120.500 -0.176 0.000 2.334 47 R HA 0.176 4.516 4.340 -0.000 0.000 0.212 47 R C -0.059 176.181 176.300 -0.100 0.000 0.897 47 R CA -0.152 55.894 56.100 -0.090 0.000 1.056 47 R CB 0.464 30.815 30.300 0.085 0.000 1.046 47 R HN 0.062 nan 8.270 nan 0.000 0.513 48 L N -0.918 120.209 121.223 -0.160 0.000 2.492 48 L HA 0.318 4.658 4.340 -0.000 0.000 0.263 48 L C -0.125 176.673 176.870 -0.120 0.000 1.062 48 L CA -1.293 53.523 54.840 -0.041 0.000 0.817 48 L CB -0.023 42.044 42.059 0.013 0.000 1.441 48 L HN -0.092 nan 8.230 nan 0.000 0.493 49 Y N -0.738 119.590 120.300 0.045 0.000 2.335 49 Y HA 0.120 4.670 4.550 -0.000 0.000 0.331 49 Y C 1.042 176.960 175.900 0.031 0.000 1.094 49 Y CA 0.007 58.184 58.100 0.128 0.000 1.253 49 Y CB 0.869 39.497 38.460 0.280 0.000 1.203 49 Y HN 0.473 nan 8.280 nan 0.000 0.508 50 c N 0.556 119.266 118.600 0.184 0.000 2.912 50 c HA 0.347 4.917 4.570 -0.000 0.000 0.274 50 c C 1.728 175.993 174.090 0.293 0.000 1.248 50 c CA 0.289 56.639 56.329 0.035 0.000 1.694 50 c CB -0.454 42.029 42.510 -0.046 0.000 2.024 50 c HN 1.225 nan 8.230 nan 0.000 0.605 51 G N 0.449 109.522 108.800 0.455 0.000 2.184 51 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.206 51 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.206 51 G C 0.356 175.406 174.900 0.249 0.000 0.995 51 G CA -0.109 45.239 45.100 0.413 0.000 0.651 51 G HN 0.814 nan 8.290 nan 0.000 0.511 52 G N 0.438 109.373 108.800 0.225 0.000 2.491 52 G HA2 0.552 4.512 3.960 -0.000 0.000 0.238 52 G HA3 0.552 4.512 3.960 -0.000 0.000 0.238 52 G C 0.039 175.018 174.900 0.132 0.000 1.277 52 G CA 1.055 46.255 45.100 0.166 0.000 0.851 52 G HN 1.021 nan 8.290 nan 0.000 0.573 53 D N -1.044 119.413 120.400 0.096 0.000 2.825 53 D HA 0.216 4.856 4.640 -0.000 0.000 0.327 53 D C 0.544 176.903 176.300 0.098 0.000 1.277 53 D CA -0.849 53.151 54.000 -0.000 0.000 0.950 53 D CB 0.160 40.966 40.800 0.010 0.000 1.438 53 D HN 0.316 nan 8.370 nan 0.000 0.526 54 W N -0.445 120.928 121.300 0.121 0.000 2.388 54 W HA -0.026 4.634 4.660 -0.000 0.000 0.294 54 W C 2.106 178.670 176.519 0.074 0.000 1.212 54 W CA 0.999 58.397 57.345 0.089 0.000 1.271 54 W CB -1.029 28.505 29.460 0.123 0.000 1.126 54 W HN 0.528 nan 8.180 nan 0.000 0.535 55 Q N 0.428 120.388 119.800 0.267 0.000 2.135 55 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 55 Q C 2.399 178.481 176.000 0.137 0.000 0.981 55 Q CA 2.466 58.371 55.803 0.170 0.000 0.856 55 Q CB -1.007 27.803 28.738 0.119 0.000 0.902 55 Q HN 0.167 nan 8.270 nan 0.000 0.425 56 G N 0.502 109.390 108.800 0.147 0.000 2.446 56 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.217 56 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.217 56 G C 1.445 176.456 174.900 0.185 0.000 1.168 56 G CA 1.043 46.221 45.100 0.131 0.000 0.771 56 G HN 0.432 nan 8.290 nan 0.000 0.551 57 I N 0.492 121.224 120.570 0.269 0.000 2.163 57 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 57 I C 2.697 178.910 176.117 0.160 0.000 1.085 57 I CA 0.884 62.350 61.300 0.275 0.000 1.347 57 I CB -0.276 37.846 38.000 0.203 0.000 1.044 57 I HN 0.146 nan 8.210 nan 0.000 0.408 58 I N 0.947 121.589 120.570 0.121 0.000 2.163 58 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 58 I C 2.271 178.418 176.117 0.049 0.000 1.085 58 I CA 1.409 62.748 61.300 0.066 0.000 1.347 58 I CB -0.560 37.477 38.000 0.062 0.000 1.044 58 I HN 0.312 nan 8.210 nan 0.000 0.408 59 N N 0.819 119.547 118.700 0.046 0.000 2.104 59 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 59 N C 1.737 177.229 175.510 -0.029 0.000 1.024 59 N CA 1.166 54.216 53.050 -0.000 0.000 0.853 59 N CB -0.268 38.204 38.487 -0.025 0.000 1.008 59 N HN 0.229 nan 8.380 nan 0.000 0.424 60 K N 0.898 121.289 120.400 -0.015 0.000 2.283 60 K HA 0.092 4.412 4.320 -0.000 0.000 0.202 60 K C 2.038 178.675 176.600 0.061 0.000 1.048 60 K CA 0.251 56.521 56.287 -0.028 0.000 0.948 60 K CB -0.285 32.241 32.500 0.042 0.000 0.742 60 K HN 0.319 nan 8.250 nan 0.000 0.458 61 I N 0.755 121.358 120.570 0.056 0.000 2.406 61 I HA -0.230 3.940 4.170 -0.000 0.000 0.249 61 I C 1.194 177.321 176.117 0.017 0.000 1.122 61 I CA 1.079 62.399 61.300 0.033 0.000 1.431 61 I CB -0.141 37.871 38.000 0.019 0.000 1.087 61 I HN 0.234 nan 8.210 nan 0.000 0.424 62 N N 0.570 119.277 118.700 0.011 0.000 2.416 62 N HA -0.141 4.599 4.740 -0.000 0.000 0.177 62 N C 0.815 176.327 175.510 0.003 0.000 1.036 62 N CA 0.838 53.891 53.050 0.005 0.000 0.901 62 N CB 0.030 38.519 38.487 0.003 0.000 0.976 62 N HN 0.399 nan 8.380 nan 0.000 0.444 63 D N -0.377 120.022 120.400 -0.003 0.000 2.328 63 D HA 0.117 4.757 4.640 -0.000 0.000 0.226 63 D C 1.218 177.535 176.300 0.029 0.000 1.066 63 D CA 0.108 54.107 54.000 -0.002 0.000 0.861 63 D CB -0.195 40.585 40.800 -0.033 0.000 0.912 63 D HN 0.188 nan 8.370 nan 0.000 0.521 64 G N -0.257 108.568 108.800 0.041 0.000 2.179 64 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.260 64 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.260 64 G C 0.655 175.619 174.900 0.106 0.000 0.977 64 G CA 0.380 45.514 45.100 0.056 0.000 0.641 64 G HN 0.383 nan 8.290 nan 0.000 0.533 65 Y N 0.794 121.097 120.300 0.006 0.000 2.145 65 Y HA 0.108 4.658 4.550 -0.000 0.000 0.286 65 Y C 2.657 178.613 175.900 0.093 0.000 1.145 65 Y CA 2.432 60.578 58.100 0.078 0.000 1.148 65 Y CB -0.267 38.191 38.460 -0.004 0.000 0.981 65 Y HN 0.308 nan 8.280 nan 0.000 0.507 66 L N -0.975 120.213 121.223 -0.059 0.000 2.068 66 L HA -0.137 4.203 4.340 -0.000 0.000 0.204 66 L C 2.593 179.343 176.870 -0.200 0.000 1.076 66 L CA 1.624 56.325 54.840 -0.231 0.000 0.753 66 L CB -1.098 40.871 42.059 -0.150 0.000 0.910 66 L HN 0.312 nan 8.230 nan 0.000 0.439 67 T N -2.763 111.732 114.554 -0.098 0.000 2.788 67 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 67 T C 1.953 176.600 174.700 -0.088 0.000 1.044 67 T CA 1.056 63.106 62.100 -0.084 0.000 1.139 67 T CB -0.966 67.876 68.868 -0.043 0.000 0.867 67 T HN 0.369 nan 8.240 nan 0.000 0.454 68 G N 0.671 109.444 108.800 -0.044 0.000 2.448 68 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.219 68 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.219 68 G C 1.531 176.378 174.900 -0.089 0.000 1.127 68 G CA 0.736 45.851 45.100 0.025 0.000 0.766 68 G HN 0.518 nan 8.290 nan 0.000 0.552 69 M N -0.075 119.311 119.600 -0.357 0.000 2.492 69 M HA 0.204 4.684 4.480 -0.000 0.000 0.262 69 M C 1.808 177.877 176.300 -0.386 0.000 1.090 69 M CA 1.101 55.973 55.300 -0.713 0.000 1.110 69 M CB 0.297 32.341 32.600 -0.927 0.000 1.407 69 M HN 0.379 nan 8.290 nan 0.000 0.470 70 G N 0.377 109.030 108.800 -0.244 0.000 2.157 70 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 70 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 70 G C 0.019 174.827 174.900 -0.153 0.000 0.982 70 G CA 0.072 45.068 45.100 -0.173 0.000 0.650 70 G HN 0.328 nan 8.290 nan 0.000 0.527 71 V N 1.351 121.164 119.914 -0.169 0.000 2.740 71 V HA 0.498 4.618 4.120 -0.000 0.000 0.303 71 V C 1.614 177.665 176.094 -0.072 0.000 1.054 71 V CA 1.552 63.790 62.300 -0.103 0.000 1.106 71 V CB 1.511 33.254 31.823 -0.133 0.000 0.957 71 V HN 0.902 nan 8.190 nan 0.000 0.486 72 T N 0.416 114.950 114.554 -0.033 0.000 3.144 72 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 72 T C -0.135 174.569 174.700 0.007 0.000 0.966 72 T CA 0.384 62.458 62.100 -0.044 0.000 0.907 72 T CB 0.395 69.204 68.868 -0.098 0.000 1.152 72 T HN 1.067 nan 8.240 nan 0.000 0.532 73 A N 1.579 124.454 122.820 0.093 0.000 2.574 73 A HA 0.804 5.124 4.320 -0.000 0.000 0.297 73 A C -1.233 176.493 177.584 0.238 0.000 1.062 73 A CA -1.203 50.955 52.037 0.202 0.000 0.686 73 A CB 1.175 20.387 19.000 0.354 0.000 1.285 73 A HN 0.755 nan 8.150 nan 0.000 0.403 74 I N -2.149 118.573 120.570 0.254 0.000 2.646 74 I HA 0.862 5.032 4.170 -0.000 0.000 0.299 74 I C -1.029 175.301 176.117 0.355 0.000 1.036 74 I CA -0.756 60.700 61.300 0.261 0.000 1.074 74 I CB 2.059 40.143 38.000 0.141 0.000 1.258 74 I HN 0.766 nan 8.210 nan 0.000 0.430 75 W N 8.601 129.986 121.300 0.143 0.000 2.475 75 W HA 0.767 5.427 4.660 -0.000 0.000 0.320 75 W C -1.447 175.107 176.519 0.059 0.000 1.022 75 W CA -1.833 55.592 57.345 0.133 0.000 1.240 75 W CB 0.831 30.416 29.460 0.209 0.000 1.328 75 W HN 0.662 nan 8.180 nan 0.000 0.439 76 I N 2.485 123.247 120.570 0.319 0.000 2.910 76 I HA 0.677 4.847 4.170 -0.000 0.000 0.310 76 I C 0.351 176.477 176.117 0.015 0.000 1.043 76 I CA -1.033 60.299 61.300 0.053 0.000 1.053 76 I CB 1.697 39.741 38.000 0.075 0.000 1.242 76 I HN 0.207 nan 8.210 nan 0.000 0.452 77 S N 1.721 117.287 115.700 -0.224 0.000 2.566 77 S HA -0.035 4.435 4.470 -0.000 0.000 0.280 77 S C 0.005 174.546 174.600 -0.099 0.000 1.343 77 S CA -0.315 57.682 58.200 -0.339 0.000 1.036 77 S CB 0.290 63.159 63.200 -0.552 0.000 0.866 77 S HN 0.728 nan 8.310 nan 0.000 0.526 78 Q N 2.758 122.469 119.800 -0.148 0.000 2.320 78 Q HA -0.025 4.315 4.340 -0.000 0.000 0.311 78 Q C -1.617 174.425 176.000 0.070 0.000 1.083 78 Q CA -0.821 54.952 55.803 -0.051 0.000 1.001 78 Q CB 0.553 29.226 28.738 -0.109 0.000 1.074 78 Q HN 0.314 nan 8.270 nan 0.000 0.379 79 P HA -0.017 nan 4.420 nan 0.000 0.245 79 P C 0.251 177.613 177.300 0.104 0.000 1.206 79 P CA 0.218 63.475 63.100 0.261 0.000 0.781 79 P CB -0.083 31.596 31.700 -0.034 0.000 0.994 80 V N -1.678 118.170 119.914 -0.109 0.000 3.185 80 V HA 0.224 4.344 4.120 -0.000 0.000 0.305 80 V C 0.496 176.540 176.094 -0.083 0.000 1.090 80 V CA -1.001 61.279 62.300 -0.034 0.000 1.107 80 V CB 0.135 31.892 31.823 -0.109 0.000 1.061 80 V HN -0.017 nan 8.190 nan 0.000 0.480 81 E N 2.824 123.004 120.200 -0.032 0.000 2.480 81 E HA 0.039 4.389 4.350 -0.000 0.000 0.258 81 E C -0.100 176.362 176.600 -0.229 0.000 0.984 81 E CA 0.175 56.504 56.400 -0.117 0.000 0.930 81 E CB 0.145 29.831 29.700 -0.024 0.000 0.936 81 E HN 0.869 nan 8.360 nan 0.000 0.466 82 N N 3.362 121.855 118.700 -0.345 0.000 2.477 82 N HA 0.283 5.023 4.740 -0.000 0.000 0.284 82 N C 0.162 175.390 175.510 -0.469 0.000 1.182 82 N CA -0.717 52.146 53.050 -0.312 0.000 0.949 82 N CB 1.008 39.333 38.487 -0.270 0.000 1.204 82 N HN 0.479 nan 8.380 nan 0.000 0.526 83 I N -1.003 119.435 120.570 -0.220 0.000 2.892 83 I HA -0.038 4.132 4.170 -0.000 0.000 0.287 83 I C -0.005 175.938 176.117 -0.290 0.000 1.205 83 I CA 0.099 61.286 61.300 -0.188 0.000 1.409 83 I CB 0.264 38.241 38.000 -0.039 0.000 1.367 83 I HN 0.598 nan 8.210 nan 0.000 0.597 84 Y N 2.110 122.418 120.300 0.013 0.000 2.478 84 Y HA 0.186 4.736 4.550 -0.000 0.000 0.261 84 Y C 1.513 177.429 175.900 0.027 0.000 1.127 84 Y CA -0.080 58.028 58.100 0.012 0.000 1.288 84 Y CB -0.090 38.351 38.460 -0.033 0.000 1.084 84 Y HN 0.563 nan 8.280 nan 0.000 0.530 85 S N 1.137 116.909 115.700 0.120 0.000 2.560 85 S HA 0.139 4.609 4.470 -0.000 0.000 0.284 85 S C -0.020 174.625 174.600 0.074 0.000 1.327 85 S CA -0.282 57.943 58.200 0.042 0.000 1.055 85 S CB 0.384 63.531 63.200 -0.088 0.000 0.868 85 S HN 0.100 nan 8.310 nan 0.000 0.506 86 I N 2.913 123.520 120.570 0.062 0.000 2.371 86 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 86 I C -0.138 175.982 176.117 0.006 0.000 1.028 86 I CA 0.053 61.407 61.300 0.089 0.000 1.345 86 I CB 0.516 38.569 38.000 0.089 0.000 1.407 86 I HN 0.455 nan 8.210 nan 0.000 0.501 87 I N 5.938 126.517 120.570 0.014 0.000 2.339 87 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 87 I C -0.095 175.920 176.117 -0.171 0.000 0.994 87 I CA -0.552 60.634 61.300 -0.189 0.000 1.191 87 I CB 1.224 38.998 38.000 -0.375 0.000 1.343 87 I HN 0.568 nan 8.210 nan 0.000 0.458 88 N N 5.373 123.979 118.700 -0.156 0.000 2.408 88 N HA 0.186 4.926 4.740 -0.000 0.000 0.257 88 N C -1.320 174.129 175.510 -0.101 0.000 1.064 88 N CA -0.252 52.765 53.050 -0.056 0.000 0.952 88 N CB 0.504 38.993 38.487 0.004 0.000 1.093 88 N HN 0.329 nan 8.380 nan 0.000 0.490 89 Y N 3.051 123.426 120.300 0.124 0.000 2.944 89 Y HA 0.275 4.824 4.550 -0.000 0.000 0.335 89 Y C 0.056 175.991 175.900 0.058 0.000 1.075 89 Y CA -0.688 57.471 58.100 0.098 0.000 1.240 89 Y CB 0.204 38.730 38.460 0.110 0.000 1.167 89 Y HN 0.612 nan 8.280 nan 0.000 0.555 90 S N 1.711 117.518 115.700 0.178 0.000 3.727 90 S HA -0.107 4.363 4.470 -0.000 0.000 0.444 90 S C 1.245 175.898 174.600 0.088 0.000 0.867 90 S CA 0.940 59.204 58.200 0.107 0.000 1.324 90 S CB -1.378 61.879 63.200 0.096 0.000 0.890 90 S HN 1.419 nan 8.310 nan 0.000 0.599 91 G N -1.381 107.464 108.800 0.074 0.000 2.299 91 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.237 91 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.237 91 G C 0.216 175.159 174.900 0.072 0.000 1.027 91 G CA 0.267 45.403 45.100 0.061 0.000 0.619 91 G HN 2.066 nan 8.290 nan 0.000 0.513 92 V N -0.787 119.190 119.914 0.105 0.000 2.394 92 V HA 0.761 4.881 4.120 -0.000 0.000 0.282 92 V C -0.077 176.103 176.094 0.144 0.000 1.031 92 V CA -1.726 60.645 62.300 0.118 0.000 0.881 92 V CB 1.501 33.397 31.823 0.122 0.000 0.982 92 V HN 0.193 nan 8.190 nan 0.000 0.451 93 N N 4.458 123.227 118.700 0.115 0.000 2.497 93 N HA 0.340 5.080 4.740 -0.000 0.000 0.271 93 N C -0.500 175.115 175.510 0.175 0.000 1.142 93 N CA 0.131 53.253 53.050 0.121 0.000 0.965 93 N CB 0.382 38.925 38.487 0.093 0.000 1.077 93 N HN 0.820 nan 8.380 nan 0.000 0.462 94 N N 0.124 118.964 118.700 0.233 0.000 2.238 94 N HA 0.386 5.126 4.740 -0.000 0.000 0.302 94 N C -0.506 175.210 175.510 0.343 0.000 1.072 94 N CA -0.414 52.837 53.050 0.336 0.000 0.792 94 N CB 2.138 40.965 38.487 0.567 0.000 1.425 94 N HN 0.513 nan 8.380 nan 0.000 0.478 95 T N -2.670 112.050 114.554 0.275 0.000 2.940 95 T HA 0.583 4.933 4.350 -0.000 0.000 0.288 95 T C 0.527 175.142 174.700 -0.142 0.000 1.045 95 T CA -0.805 61.414 62.100 0.199 0.000 1.018 95 T CB 1.662 70.638 68.868 0.179 0.000 1.151 95 T HN 0.371 nan 8.240 nan 0.000 0.529 96 A N 0.833 123.493 122.820 -0.265 0.000 2.416 96 A HA 0.258 4.578 4.320 -0.000 0.000 0.252 96 A C 1.238 178.142 177.584 -1.133 0.000 1.353 96 A CA -0.220 51.307 52.037 -0.850 0.000 0.996 96 A CB -1.662 17.215 19.000 -0.207 0.000 0.961 96 A HN 0.964 nan 8.150 nan 0.000 0.523 97 Y N -0.294 119.318 120.300 -1.147 0.000 2.315 97 Y HA -0.289 4.261 4.550 -0.000 0.000 0.288 97 Y C 1.798 177.418 175.900 -0.467 0.000 1.154 97 Y CA 1.641 59.107 58.100 -1.056 0.000 1.229 97 Y CB -1.265 36.704 38.460 -0.819 0.000 0.980 97 Y HN 0.660 nan 8.280 nan 0.000 0.540 98 H N -1.271 116.956 119.070 -1.406 0.000 2.495 98 H HA 0.284 4.840 4.556 -0.000 0.000 0.287 98 H C 2.053 176.814 175.328 -0.945 0.000 1.033 98 H CA 0.411 55.799 56.048 -1.100 0.000 1.307 98 H CB -0.666 28.543 29.762 -0.921 0.000 1.401 98 H HN 0.406 nan 8.280 nan 0.000 0.555 99 G N -0.298 108.108 108.800 -0.657 0.000 2.159 99 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.256 99 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.256 99 G C 0.278 174.993 174.900 -0.308 0.000 0.977 99 G CA 0.450 45.304 45.100 -0.411 0.000 0.652 99 G HN 0.522 nan 8.290 nan 0.000 0.531 100 Y N -1.340 119.010 120.300 0.085 0.000 2.466 100 Y HA 0.397 4.947 4.550 -0.000 0.000 0.272 100 Y C 0.831 176.981 175.900 0.418 0.000 1.169 100 Y CA -0.746 57.463 58.100 0.181 0.000 1.285 100 Y CB 0.305 38.825 38.460 0.100 0.000 1.078 100 Y HN 0.365 nan 8.280 nan 0.000 0.523 101 W N 1.453 122.890 121.300 0.228 0.000 2.149 101 W HA 0.690 5.350 4.660 -0.000 0.000 0.291 101 W C 0.014 176.513 176.519 -0.033 0.000 0.875 101 W CA -2.144 55.288 57.345 0.144 0.000 1.885 101 W CB -0.319 29.189 29.460 0.081 0.000 2.062 101 W HN -0.161 nan 8.180 nan 0.000 0.391 102 A N 2.292 125.168 122.820 0.093 0.000 2.462 102 A HA 0.344 4.664 4.320 -0.000 0.000 0.243 102 A C 1.506 179.046 177.584 -0.074 0.000 1.076 102 A CA 0.207 52.107 52.037 -0.229 0.000 0.773 102 A CB 0.575 19.068 19.000 -0.847 0.000 1.010 102 A HN 0.647 nan 8.150 nan 0.000 0.493 103 R N 0.297 120.745 120.500 -0.085 0.000 2.383 103 R HA 0.153 4.493 4.340 -0.000 0.000 0.205 103 R C -1.008 175.437 176.300 0.241 0.000 0.875 103 R CA 0.561 56.731 56.100 0.117 0.000 1.039 103 R CB 0.661 31.017 30.300 0.093 0.000 1.267 103 R HN 0.605 nan 8.270 nan 0.000 0.635 104 D N -0.183 120.287 120.400 0.117 0.000 2.613 104 D HA 0.159 4.799 4.640 -0.000 0.000 0.230 104 D C -0.707 175.760 176.300 0.279 0.000 1.365 104 D CA -0.601 53.591 54.000 0.319 0.000 0.976 104 D CB 1.077 42.038 40.800 0.268 0.000 1.415 104 D HN 0.024 nan 8.370 nan 0.000 0.589 105 F N 2.023 122.238 119.950 0.440 0.000 2.802 105 F HA 0.183 4.710 4.527 -0.000 0.000 0.300 105 F C 2.059 178.170 175.800 0.518 0.000 1.168 105 F CA 0.472 58.721 58.000 0.415 0.000 1.433 105 F CB 0.283 39.500 39.000 0.362 0.000 1.115 105 F HN 0.164 nan 8.300 nan 0.000 0.582 106 K N -0.561 120.145 120.400 0.510 0.000 2.353 106 K HA 0.120 4.440 4.320 -0.000 0.000 0.195 106 K C 0.475 177.209 176.600 0.223 0.000 1.031 106 K CA 0.265 56.736 56.287 0.306 0.000 1.079 106 K CB 0.499 33.129 32.500 0.216 0.000 0.857 106 K HN -0.018 nan 8.250 nan 0.000 0.535 107 K N 0.552 121.137 120.400 0.308 0.000 2.352 107 K HA 0.241 4.561 4.320 -0.000 0.000 0.240 107 K C -0.148 176.663 176.600 0.352 0.000 1.017 107 K CA -0.600 55.832 56.287 0.242 0.000 0.851 107 K CB 1.867 34.466 32.500 0.166 0.000 1.261 107 K HN -0.027 nan 8.250 nan 0.000 0.451 108 T N -1.363 113.381 114.554 0.317 0.000 2.899 108 T HA 0.148 4.498 4.350 -0.000 0.000 0.284 108 T C 0.310 175.089 174.700 0.131 0.000 1.004 108 T CA -0.772 61.547 62.100 0.364 0.000 1.043 108 T CB 0.784 69.950 68.868 0.497 0.000 1.013 108 T HN 0.430 nan 8.240 nan 0.000 0.518 109 N N 2.594 121.291 118.700 -0.005 0.000 2.405 109 N HA 0.186 4.926 4.740 -0.000 0.000 0.260 109 N C -1.580 173.754 175.510 -0.292 0.000 1.152 109 N CA -2.287 50.594 53.050 -0.282 0.000 0.948 109 N CB 1.185 39.248 38.487 -0.707 0.000 1.111 109 N HN 0.376 nan 8.380 nan 0.000 0.485 110 P HA -0.065 nan 4.420 nan 0.000 0.222 110 P C 0.796 177.960 177.300 -0.227 0.000 1.147 110 P CA 0.741 63.764 63.100 -0.128 0.000 0.790 110 P CB 0.160 31.840 31.700 -0.033 0.000 0.780 111 A N -1.024 121.588 122.820 -0.347 0.000 1.969 111 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 111 A C 1.948 179.407 177.584 -0.208 0.000 1.169 111 A CA 1.197 53.034 52.037 -0.333 0.000 0.635 111 A CB -1.514 17.197 19.000 -0.481 0.000 0.810 111 A HN 0.076 nan 8.150 nan 0.000 0.445 112 Y N -0.669 119.360 120.300 -0.452 0.000 2.243 112 Y HA 0.359 4.909 4.550 -0.000 0.000 0.293 112 Y C 1.614 176.915 175.900 -0.998 0.000 1.124 112 Y CA 0.187 57.736 58.100 -0.918 0.000 1.159 112 Y CB -0.843 36.688 38.460 -1.548 0.000 1.008 112 Y HN 0.436 nan 8.280 nan 0.000 0.527 113 G N -1.236 107.228 108.800 -0.560 0.000 2.341 113 G HA2 0.324 4.284 3.960 -0.000 0.000 0.293 113 G HA3 0.324 4.284 3.960 -0.000 0.000 0.293 113 G C -0.718 174.280 174.900 0.163 0.000 1.298 113 G CA -0.488 44.556 45.100 -0.094 0.000 0.868 113 G HN 0.202 nan 8.290 nan 0.000 0.540 114 T N -1.532 113.200 114.554 0.298 0.000 2.884 114 T HA 0.564 4.914 4.350 -0.000 0.000 0.277 114 T C 1.718 176.676 174.700 0.431 0.000 0.976 114 T CA -0.351 61.926 62.100 0.295 0.000 0.956 114 T CB 0.900 69.882 68.868 0.190 0.000 1.113 114 T HN 0.502 nan 8.240 nan 0.000 0.554 115 I N 0.500 121.245 120.570 0.292 0.000 2.335 115 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 115 I C 2.891 179.165 176.117 0.260 0.000 1.129 115 I CA 1.702 63.157 61.300 0.257 0.000 1.402 115 I CB -1.766 36.301 38.000 0.111 0.000 1.069 115 I HN 0.848 nan 8.210 nan 0.000 0.424 116 A N 0.589 123.537 122.820 0.213 0.000 1.929 116 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 116 A C 2.002 179.703 177.584 0.196 0.000 1.176 116 A CA 1.477 53.613 52.037 0.165 0.000 0.628 116 A CB -0.423 18.652 19.000 0.124 0.000 0.816 116 A HN 0.313 nan 8.150 nan 0.000 0.444 117 D N -0.963 119.612 120.400 0.292 0.000 2.117 117 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 117 D C 1.613 178.111 176.300 0.331 0.000 0.987 117 D CA 1.114 55.329 54.000 0.358 0.000 0.829 117 D CB -0.403 40.716 40.800 0.532 0.000 0.961 117 D HN 0.436 nan 8.370 nan 0.000 0.460 118 F N 1.606 121.666 119.950 0.184 0.000 2.095 118 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 118 F C 2.509 178.236 175.800 -0.122 0.000 1.104 118 F CA 1.595 59.479 58.000 -0.193 0.000 1.232 118 F CB -0.117 38.744 39.000 -0.231 0.000 0.987 118 F HN -0.084 nan 8.300 nan 0.000 0.475 119 Q N -0.167 119.684 119.800 0.086 0.000 2.119 119 Q HA -0.198 4.142 4.340 -0.000 0.000 0.201 119 Q C 1.875 177.822 176.000 -0.090 0.000 0.972 119 Q CA 1.891 57.686 55.803 -0.013 0.000 0.847 119 Q CB -0.396 28.375 28.738 0.055 0.000 0.903 119 Q HN 0.587 nan 8.270 nan 0.000 0.433 120 N N 0.092 118.770 118.700 -0.036 0.000 2.166 120 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 120 N C 1.624 177.068 175.510 -0.110 0.000 1.019 120 N CA 0.555 53.582 53.050 -0.039 0.000 0.856 120 N CB -0.045 38.457 38.487 0.024 0.000 0.993 120 N HN 0.091 nan 8.380 nan 0.000 0.426 121 L N 1.561 122.675 121.223 -0.182 0.000 1.989 121 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 121 L C 1.801 178.447 176.870 -0.372 0.000 1.071 121 L CA 1.563 56.237 54.840 -0.275 0.000 0.749 121 L CB -0.686 41.093 42.059 -0.467 0.000 0.890 121 L HN 0.150 nan 8.230 nan 0.000 0.431 122 I N 0.267 120.520 120.570 -0.529 0.000 2.194 122 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 122 I C 2.706 178.505 176.117 -0.530 0.000 1.093 122 I CA 1.567 62.504 61.300 -0.605 0.000 1.355 122 I CB -2.025 35.648 38.000 -0.545 0.000 1.046 122 I HN 0.411 nan 8.210 nan 0.000 0.413 123 A N 0.918 123.573 122.820 -0.275 0.000 1.858 123 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 123 A C 2.612 180.148 177.584 -0.081 0.000 1.190 123 A CA 2.336 54.296 52.037 -0.128 0.000 0.617 123 A CB -0.983 17.974 19.000 -0.073 0.000 0.827 123 A HN 0.416 nan 8.150 nan 0.000 0.443 124 A N -0.196 122.572 122.820 -0.088 0.000 1.883 124 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 124 A C 2.551 180.112 177.584 -0.038 0.000 1.186 124 A CA 2.507 54.516 52.037 -0.047 0.000 0.624 124 A CB -1.187 17.788 19.000 -0.042 0.000 0.822 124 A HN 1.134 nan 8.150 nan 0.000 0.444 125 A N -0.676 122.096 122.820 -0.080 0.000 1.865 125 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 125 A C 1.954 179.578 177.584 0.067 0.000 1.191 125 A CA 1.773 53.789 52.037 -0.035 0.000 0.623 125 A CB -1.209 17.732 19.000 -0.099 0.000 0.826 125 A HN 0.768 nan 8.150 nan 0.000 0.444 126 H N -0.807 118.233 119.070 -0.051 0.000 2.352 126 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 126 H C 2.464 177.767 175.328 -0.042 0.000 1.097 126 H CA 0.704 56.724 56.048 -0.046 0.000 1.311 126 H CB -0.031 29.706 29.762 -0.042 0.000 1.377 126 H HN 0.571 nan 8.280 nan 0.000 0.504 127 A N 1.146 124.018 122.820 0.087 0.000 2.019 127 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 127 A C 1.661 179.254 177.584 0.015 0.000 1.164 127 A CA 1.240 53.299 52.037 0.035 0.000 0.644 127 A CB 0.041 19.051 19.000 0.017 0.000 0.805 127 A HN 0.201 nan 8.150 nan 0.000 0.449 128 K N -0.137 120.273 120.400 0.016 0.000 2.493 128 K HA 0.123 4.443 4.320 -0.000 0.000 0.207 128 K C -0.376 176.217 176.600 -0.013 0.000 1.033 128 K CA -0.256 56.029 56.287 -0.003 0.000 1.161 128 K CB 0.031 32.528 32.500 -0.006 0.000 0.873 128 K HN 0.445 nan 8.250 nan 0.000 0.491 129 N N 0.796 119.490 118.700 -0.010 0.000 2.776 129 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 129 N C -0.642 174.845 175.510 -0.038 0.000 1.112 129 N CA 0.718 53.743 53.050 -0.041 0.000 0.733 129 N CB -1.517 36.932 38.487 -0.064 0.000 1.097 129 N HN 0.349 nan 8.380 nan 0.000 0.558 130 I N 0.777 121.357 120.570 0.017 0.000 2.378 130 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 130 I C 0.604 176.793 176.117 0.120 0.000 0.992 130 I CA -0.580 60.740 61.300 0.034 0.000 1.154 130 I CB 1.492 39.508 38.000 0.027 0.000 1.315 130 I HN -0.195 nan 8.210 nan 0.000 0.448 131 K N 4.523 124.982 120.400 0.098 0.000 2.098 131 K HA 0.589 4.909 4.320 -0.000 0.000 0.257 131 K C -0.970 175.794 176.600 0.273 0.000 0.999 131 K CA -0.646 55.755 56.287 0.189 0.000 0.924 131 K CB 1.817 34.347 32.500 0.049 0.000 1.028 131 K HN 0.259 nan 8.250 nan 0.000 0.466 132 V N 3.959 124.055 119.914 0.302 0.000 2.409 132 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 132 V C -0.334 175.912 176.094 0.252 0.000 1.020 132 V CA -0.716 61.700 62.300 0.194 0.000 0.848 132 V CB 1.142 32.963 31.823 -0.003 0.000 0.990 132 V HN 0.585 nan 8.190 nan 0.000 0.430 133 I N 5.993 126.718 120.570 0.259 0.000 2.493 133 I HA 0.611 4.781 4.170 -0.000 0.000 0.298 133 I C -0.319 175.919 176.117 0.201 0.000 0.998 133 I CA -0.688 60.738 61.300 0.210 0.000 1.137 133 I CB 1.969 40.080 38.000 0.186 0.000 1.310 133 I HN 0.604 nan 8.210 nan 0.000 0.445 134 I N 0.199 120.844 120.570 0.125 0.000 2.646 134 I HA 0.585 4.755 4.170 -0.000 0.000 0.299 134 I C -0.859 175.310 176.117 0.086 0.000 1.036 134 I CA -0.897 60.491 61.300 0.146 0.000 1.074 134 I CB 1.775 39.838 38.000 0.104 0.000 1.258 134 I HN 0.278 nan 8.210 nan 0.000 0.430 135 D N 3.274 123.772 120.400 0.163 0.000 2.399 135 D HA 0.334 4.974 4.640 -0.000 0.000 0.241 135 D C -1.359 175.059 176.300 0.197 0.000 1.133 135 D CA 0.752 54.848 54.000 0.159 0.000 0.890 135 D CB 1.016 41.927 40.800 0.185 0.000 1.201 135 D HN 0.437 nan 8.370 nan 0.000 0.432 136 F N 0.928 120.889 119.950 0.020 0.000 2.617 136 F HA 0.488 5.015 4.527 -0.000 0.000 0.325 136 F C -0.853 175.012 175.800 0.109 0.000 1.179 136 F CA -1.044 56.992 58.000 0.061 0.000 0.965 136 F CB 1.474 40.508 39.000 0.057 0.000 1.232 136 F HN 0.267 nan 8.300 nan 0.000 0.461 137 A N 7.521 130.214 122.820 -0.212 0.000 3.064 137 A HA 0.512 4.832 4.320 -0.000 0.000 0.339 137 A C -2.384 175.060 177.584 -0.235 0.000 1.078 137 A CA -1.130 50.842 52.037 -0.109 0.000 0.869 137 A CB -0.278 18.768 19.000 0.076 0.000 1.067 137 A HN 0.425 nan 8.150 nan 0.000 0.480 138 P HA 0.002 nan 4.420 nan 0.000 0.255 138 P C 0.606 177.853 177.300 -0.087 0.000 1.357 138 P CA 0.450 63.367 63.100 -0.305 0.000 0.839 138 P CB -0.030 31.545 31.700 -0.208 0.000 1.356 139 N N 0.712 119.339 118.700 -0.122 0.000 2.376 139 N HA -0.085 4.655 4.740 -0.000 0.000 0.177 139 N C 0.696 176.257 175.510 0.085 0.000 1.024 139 N CA 0.380 53.463 53.050 0.056 0.000 0.893 139 N CB 0.060 38.644 38.487 0.161 0.000 0.980 139 N HN 0.244 nan 8.380 nan 0.000 0.439 140 H N -4.356 114.801 119.070 0.144 0.000 2.948 140 H HA 0.267 4.823 4.556 -0.000 0.000 0.315 140 H C -0.234 175.248 175.328 0.258 0.000 1.360 140 H CA -0.148 55.994 56.048 0.157 0.000 1.125 140 H CB 0.772 30.598 29.762 0.106 0.000 1.844 140 H HN 0.039 nan 8.280 nan 0.000 0.529 141 T N -0.642 114.160 114.554 0.413 0.000 3.555 141 T HA 0.327 4.677 4.350 -0.000 0.000 0.201 141 T C 0.710 175.619 174.700 0.348 0.000 0.850 141 T CA 0.807 63.121 62.100 0.356 0.000 1.646 141 T CB -0.564 68.497 68.868 0.322 0.000 1.774 141 T HN 0.814 nan 8.240 nan 0.000 0.447 142 S N 0.876 116.632 115.700 0.093 0.000 2.720 142 S HA 0.690 5.160 4.470 -0.000 0.000 0.287 142 S C -3.329 171.076 174.600 -0.325 0.000 1.168 142 S CA -1.683 56.424 58.200 -0.155 0.000 0.832 142 S CB 1.097 64.179 63.200 -0.196 0.000 1.166 142 S HN 0.271 nan 8.310 nan 0.000 0.493 143 P HA 0.485 nan 4.420 nan 0.000 0.267 143 P C -1.029 176.178 177.300 -0.155 0.000 1.209 143 P CA 0.215 63.143 63.100 -0.288 0.000 0.763 143 P CB 0.449 31.993 31.700 -0.260 0.000 0.816 144 A N 2.524 125.298 122.820 -0.078 0.000 2.527 144 A HA 0.752 5.072 4.320 -0.000 0.000 0.293 144 A C -0.872 176.759 177.584 0.077 0.000 1.117 144 A CA -0.559 51.461 52.037 -0.028 0.000 0.723 144 A CB 1.611 20.397 19.000 -0.357 0.000 1.313 144 A HN 0.330 nan 8.150 nan 0.000 0.411 145 S N -0.401 115.421 115.700 0.203 0.000 2.647 145 S HA 0.450 4.920 4.470 -0.000 0.000 0.300 145 S C 1.019 175.740 174.600 0.201 0.000 1.129 145 S CA 0.112 58.385 58.200 0.120 0.000 1.029 145 S CB 1.116 64.300 63.200 -0.026 0.000 1.007 145 S HN 1.402 nan 8.310 nan 0.000 0.484 146 S N 3.044 118.893 115.700 0.247 0.000 2.402 146 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 146 S C 0.750 175.382 174.600 0.053 0.000 1.021 146 S CA 1.460 59.759 58.200 0.165 0.000 0.974 146 S CB -0.572 62.664 63.200 0.059 0.000 0.800 146 S HN 0.857 nan 8.310 nan 0.000 0.484 147 D N -0.329 120.094 120.400 0.039 0.000 2.424 147 D HA 0.209 4.849 4.640 -0.000 0.000 0.220 147 D C 0.498 176.807 176.300 0.015 0.000 1.150 147 D CA -0.234 53.772 54.000 0.010 0.000 0.831 147 D CB -0.043 40.752 40.800 -0.009 0.000 0.981 147 D HN 0.435 nan 8.370 nan 0.000 0.500 148 Q N 0.329 120.154 119.800 0.040 0.000 2.706 148 Q HA 0.163 4.503 4.340 -0.000 0.000 0.335 148 Q C -2.030 174.032 176.000 0.104 0.000 0.796 148 Q CA -1.483 54.352 55.803 0.053 0.000 1.046 148 Q CB 1.026 29.779 28.738 0.025 0.000 1.448 148 Q HN -0.021 nan 8.270 nan 0.000 0.385 149 P HA -0.208 nan 4.420 nan 0.000 0.223 149 P C 0.883 178.222 177.300 0.066 0.000 1.140 149 P CA 1.475 64.618 63.100 0.071 0.000 0.783 149 P CB 0.097 31.820 31.700 0.038 0.000 0.759 150 S N -2.424 113.321 115.700 0.075 0.000 2.528 150 S HA 0.009 4.479 4.470 -0.000 0.000 0.219 150 S C 0.478 175.123 174.600 0.074 0.000 0.985 150 S CA -0.519 57.715 58.200 0.057 0.000 0.914 150 S CB -1.071 62.158 63.200 0.049 0.000 0.776 150 S HN 0.056 nan 8.310 nan 0.000 0.526 151 F N 3.769 123.695 119.950 -0.040 0.000 2.467 151 F HA 0.553 5.080 4.527 -0.000 0.000 0.362 151 F C 0.929 176.677 175.800 -0.087 0.000 1.090 151 F CA -0.306 57.654 58.000 -0.068 0.000 1.202 151 F CB -0.016 38.940 39.000 -0.073 0.000 1.113 151 F HN 0.463 nan 8.300 nan 0.000 0.541 152 A N 4.848 127.117 122.820 -0.917 0.000 5.483 152 A HA -0.341 3.979 4.320 -0.000 0.000 0.309 152 A C 0.949 178.331 177.584 -0.337 0.000 1.898 152 A CA 1.449 53.019 52.037 -0.779 0.000 0.716 152 A CB -1.510 16.798 19.000 -1.153 0.000 1.309 152 A HN 0.818 nan 8.150 nan 0.000 0.380 153 E N 1.017 121.058 120.200 -0.264 0.000 2.569 153 E HA 0.241 4.591 4.350 -0.000 0.000 0.205 153 E C 0.436 176.996 176.600 -0.066 0.000 1.006 153 E CA 0.338 56.682 56.400 -0.092 0.000 0.985 153 E CB 0.005 29.704 29.700 -0.001 0.000 1.060 153 E HN 0.654 nan 8.360 nan 0.000 0.460 154 N N 0.739 119.380 118.700 -0.098 0.000 2.693 154 N HA -0.256 4.484 4.740 -0.000 0.000 0.249 154 N C 0.723 176.176 175.510 -0.094 0.000 1.119 154 N CA 0.575 53.603 53.050 -0.036 0.000 0.717 154 N CB -0.747 37.749 38.487 0.015 0.000 1.071 154 N HN 0.574 nan 8.380 nan 0.000 0.555 155 G N 0.028 108.736 108.800 -0.153 0.000 2.179 155 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 155 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 155 G C 0.189 175.056 174.900 -0.056 0.000 1.010 155 G CA 0.697 45.679 45.100 -0.197 0.000 0.736 155 G HN 0.637 nan 8.290 nan 0.000 0.513 156 R N -0.979 119.531 120.500 0.017 0.000 2.638 156 R HA 0.286 4.626 4.340 -0.000 0.000 0.268 156 R C 0.094 176.476 176.300 0.136 0.000 1.006 156 R CA 0.104 56.239 56.100 0.058 0.000 1.088 156 R CB 0.377 30.685 30.300 0.013 0.000 0.950 156 R HN 0.323 nan 8.270 nan 0.000 0.419 157 L N 4.254 125.505 121.223 0.048 0.000 2.349 157 L HA 0.368 4.708 4.340 -0.000 0.000 0.278 157 L C -1.558 175.208 176.870 -0.175 0.000 0.996 157 L CA -0.451 54.431 54.840 0.070 0.000 0.825 157 L CB 1.054 43.157 42.059 0.075 0.000 1.243 157 L HN 0.389 nan 8.230 nan 0.000 0.412 158 Y N 2.106 122.457 120.300 0.085 0.000 2.528 158 Y HA 0.543 5.093 4.550 -0.000 0.000 0.335 158 Y C -0.216 175.767 175.900 0.138 0.000 1.093 158 Y CA -0.834 57.319 58.100 0.087 0.000 1.134 158 Y CB 1.418 39.950 38.460 0.120 0.000 1.253 158 Y HN 0.521 nan 8.280 nan 0.000 0.478 159 D N 2.145 122.731 120.400 0.311 0.000 2.464 159 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 159 D C -0.478 176.023 176.300 0.336 0.000 1.104 159 D CA -0.459 53.785 54.000 0.408 0.000 0.883 159 D CB -0.099 40.874 40.800 0.288 0.000 1.050 159 D HN 0.607 nan 8.370 nan 0.000 0.524 160 N N 3.435 122.339 118.700 0.340 0.000 2.688 160 N HA -0.237 4.503 4.740 -0.000 0.000 0.258 160 N C 0.984 176.603 175.510 0.181 0.000 1.016 160 N CA 1.975 55.159 53.050 0.223 0.000 0.747 160 N CB -1.100 37.491 38.487 0.173 0.000 0.895 160 N HN 0.842 nan 8.380 nan 0.000 0.543 161 G N -1.981 106.937 108.800 0.195 0.000 2.268 161 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.240 161 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.240 161 G C 0.266 175.336 174.900 0.283 0.000 1.010 161 G CA 0.453 45.641 45.100 0.147 0.000 0.618 161 G HN 0.740 nan 8.290 nan 0.000 0.516 162 T N 2.535 117.262 114.554 0.288 0.000 2.771 162 T HA 0.556 4.906 4.350 -0.000 0.000 0.291 162 T C 0.448 175.271 174.700 0.204 0.000 0.954 162 T CA -0.454 61.788 62.100 0.237 0.000 1.045 162 T CB 1.766 70.718 68.868 0.140 0.000 0.917 162 T HN 0.345 nan 8.240 nan 0.000 0.484 163 L N 5.256 126.535 121.223 0.094 0.000 2.562 163 L HA 0.139 4.479 4.340 -0.000 0.000 0.271 163 L C 0.901 177.667 176.870 -0.173 0.000 1.167 163 L CA 0.102 54.795 54.840 -0.245 0.000 0.917 163 L CB 0.262 42.200 42.059 -0.201 0.000 1.187 163 L HN 0.774 nan 8.230 nan 0.000 0.482 164 L N 4.737 125.821 121.223 -0.231 0.000 2.145 164 L HA 0.277 4.617 4.340 -0.000 0.000 0.201 164 L C 0.974 177.760 176.870 -0.140 0.000 1.075 164 L CA 0.662 55.397 54.840 -0.174 0.000 0.773 164 L CB -0.098 41.815 42.059 -0.244 0.000 0.936 164 L HN 0.783 nan 8.230 nan 0.000 0.451 165 G N -1.561 107.161 108.800 -0.130 0.000 2.328 165 G HA2 0.445 4.405 3.960 -0.000 0.000 0.295 165 G HA3 0.445 4.405 3.960 -0.000 0.000 0.295 165 G C -1.499 173.475 174.900 0.124 0.000 1.413 165 G CA -0.115 44.980 45.100 -0.008 0.000 0.817 165 G HN 0.168 nan 8.290 nan 0.000 0.546 166 G N -1.950 106.958 108.800 0.181 0.000 2.816 166 G HA2 0.509 4.469 3.960 -0.000 0.000 0.288 166 G HA3 0.509 4.469 3.960 -0.000 0.000 0.288 166 G C 0.109 175.098 174.900 0.148 0.000 1.334 166 G CA -0.315 44.873 45.100 0.146 0.000 0.978 166 G HN 0.658 nan 8.290 nan 0.000 0.493 167 Y N 0.180 120.316 120.300 -0.274 0.000 2.314 167 Y HA 0.126 4.676 4.550 -0.000 0.000 0.293 167 Y C 1.828 177.732 175.900 0.006 0.000 1.129 167 Y CA 1.244 59.169 58.100 -0.293 0.000 1.201 167 Y CB 0.087 38.292 38.460 -0.426 0.000 0.999 167 Y HN 0.297 nan 8.280 nan 0.000 0.541 168 T N 2.874 117.423 114.554 -0.009 0.000 2.794 168 T HA 0.092 4.442 4.350 -0.000 0.000 0.296 168 T C -0.290 174.366 174.700 -0.073 0.000 0.949 168 T CA -0.278 61.786 62.100 -0.061 0.000 1.101 168 T CB 0.099 68.965 68.868 -0.004 0.000 0.905 168 T HN 0.349 nan 8.240 nan 0.000 0.516 169 N N 2.121 120.744 118.700 -0.129 0.000 2.780 169 N HA -0.149 4.591 4.740 -0.000 0.000 0.247 169 N C -0.751 174.703 175.510 -0.093 0.000 1.076 169 N CA 0.432 53.415 53.050 -0.112 0.000 0.688 169 N CB -0.870 37.578 38.487 -0.064 0.000 0.957 169 N HN 0.779 nan 8.380 nan 0.000 0.551 170 D N 0.423 120.740 120.400 -0.138 0.000 2.558 170 D HA 0.189 4.829 4.640 -0.000 0.000 0.221 170 D C 1.495 177.754 176.300 -0.069 0.000 1.143 170 D CA 0.138 54.129 54.000 -0.015 0.000 1.010 170 D CB 0.295 41.244 40.800 0.248 0.000 1.068 170 D HN 0.320 nan 8.370 nan 0.000 0.511 171 T N 0.089 114.606 114.554 -0.062 0.000 2.904 171 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 171 T C 1.723 176.396 174.700 -0.046 0.000 1.059 171 T CA 0.783 62.844 62.100 -0.066 0.000 1.137 171 T CB -0.202 68.632 68.868 -0.057 0.000 0.879 171 T HN 0.321 nan 8.240 nan 0.000 0.467 172 Q N 0.936 120.714 119.800 -0.037 0.000 2.224 172 Q HA 0.041 4.381 4.340 -0.000 0.000 0.203 172 Q C 0.308 176.277 176.000 -0.052 0.000 0.970 172 Q CA 0.573 56.347 55.803 -0.049 0.000 0.865 172 Q CB -0.147 28.551 28.738 -0.067 0.000 0.922 172 Q HN 0.622 nan 8.270 nan 0.000 0.445 173 N N -1.546 117.144 118.700 -0.018 0.000 2.861 173 N HA -0.169 4.571 4.740 -0.000 0.000 0.247 173 N C 0.094 175.538 175.510 -0.110 0.000 1.117 173 N CA 0.076 53.130 53.050 0.007 0.000 0.703 173 N CB -1.106 37.377 38.487 -0.008 0.000 1.052 173 N HN 0.176 nan 8.380 nan 0.000 0.555 174 L N -1.384 119.715 121.223 -0.206 0.000 2.131 174 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 174 L C 0.652 177.058 176.870 -0.772 0.000 1.092 174 L CA 1.182 55.681 54.840 -0.568 0.000 0.759 174 L CB -0.182 41.340 42.059 -0.894 0.000 0.903 174 L HN 0.151 nan 8.230 nan 0.000 0.435 175 F N -2.532 117.338 119.950 -0.134 0.000 2.572 175 F HA 0.383 4.910 4.527 -0.000 0.000 0.342 175 F C 0.368 175.945 175.800 -0.371 0.000 1.064 175 F CA -0.963 56.900 58.000 -0.228 0.000 1.008 175 F CB 0.627 39.620 39.000 -0.011 0.000 1.303 175 F HN -0.236 nan 8.300 nan 0.000 0.492 176 H N -0.463 118.585 119.070 -0.037 0.000 2.467 176 H HA 0.356 4.912 4.556 -0.000 0.000 0.331 176 H C -0.679 174.447 175.328 -0.337 0.000 1.120 176 H CA -0.475 55.507 56.048 -0.110 0.000 1.270 176 H CB 0.824 30.586 29.762 0.001 0.000 1.466 176 H HN 0.431 nan 8.280 nan 0.000 0.504 177 H N 2.566 121.770 119.070 0.222 0.000 2.471 177 H HA 0.152 4.708 4.556 -0.000 0.000 0.234 177 H C -0.150 175.206 175.328 0.047 0.000 1.388 177 H CA -0.233 55.872 56.048 0.096 0.000 1.198 177 H CB 0.248 29.984 29.762 -0.044 0.000 1.714 177 H HN 0.676 nan 8.280 nan 0.000 0.536 178 N N 0.696 119.448 118.700 0.087 0.000 2.177 178 N HA 0.169 4.908 4.740 -0.000 0.000 0.218 178 N C 1.133 176.630 175.510 -0.022 0.000 1.182 178 N CA 0.634 53.685 53.050 0.002 0.000 0.882 178 N CB 2.402 40.850 38.487 -0.065 0.000 1.052 178 N HN 0.657 nan 8.380 nan 0.000 0.519 179 G N -0.124 108.680 108.800 0.007 0.000 2.548 179 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.208 179 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.208 179 G C -0.355 174.497 174.900 -0.080 0.000 1.308 179 G CA -0.546 44.536 45.100 -0.030 0.000 0.924 179 G HN 0.385 nan 8.290 nan 0.000 0.540 180 G N -1.102 107.623 108.800 -0.125 0.000 2.432 180 G HA2 0.730 4.690 3.960 -0.000 0.000 0.331 180 G HA3 0.730 4.690 3.960 -0.000 0.000 0.331 180 G C 0.024 174.758 174.900 -0.277 0.000 1.170 180 G CA 0.954 45.931 45.100 -0.205 0.000 0.943 180 G HN 1.327 nan 8.290 nan 0.000 0.483 181 T N -0.906 113.385 114.554 -0.437 0.000 2.899 181 T HA 0.288 4.638 4.350 -0.000 0.000 0.295 181 T C 0.717 175.057 174.700 -0.601 0.000 1.033 181 T CA 0.057 61.831 62.100 -0.543 0.000 1.084 181 T CB 0.913 69.336 68.868 -0.742 0.000 0.979 181 T HN 0.580 nan 8.240 nan 0.000 0.532 182 D N 1.822 121.969 120.400 -0.421 0.000 2.440 182 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 182 D C 0.483 176.719 176.300 -0.106 0.000 1.150 182 D CA -0.417 53.438 54.000 -0.241 0.000 0.832 182 D CB -0.677 40.062 40.800 -0.103 0.000 0.992 182 D HN 0.558 nan 8.370 nan 0.000 0.502 183 F N 0.508 120.386 119.950 -0.120 0.000 3.048 183 F HA -0.331 4.196 4.527 -0.000 0.000 0.287 183 F C 2.006 177.769 175.800 -0.062 0.000 0.796 183 F CA 0.713 58.661 58.000 -0.088 0.000 1.111 183 F CB -2.545 36.400 39.000 -0.091 0.000 1.320 183 F HN 0.183 nan 8.300 nan 0.000 0.430 184 S N -1.291 114.426 115.700 0.028 0.000 2.356 184 S HA -0.034 4.436 4.470 -0.000 0.000 0.223 184 S C 1.074 175.683 174.600 0.015 0.000 1.032 184 S CA 1.378 59.589 58.200 0.019 0.000 1.005 184 S CB -0.286 62.901 63.200 -0.021 0.000 0.867 184 S HN 0.683 nan 8.310 nan 0.000 0.449 185 T N -3.410 111.133 114.554 -0.018 0.000 2.864 185 T HA 0.542 4.892 4.350 -0.000 0.000 0.289 185 T C 0.723 175.397 174.700 -0.044 0.000 1.082 185 T CA -0.200 61.887 62.100 -0.022 0.000 1.009 185 T CB 1.206 70.038 68.868 -0.060 0.000 1.234 185 T HN -0.025 nan 8.240 nan 0.000 0.526 186 T N 0.218 114.750 114.554 -0.037 0.000 2.777 186 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 186 T C 1.683 176.250 174.700 -0.222 0.000 1.040 186 T CA 1.686 63.743 62.100 -0.072 0.000 1.141 186 T CB -0.414 68.501 68.868 0.079 0.000 0.868 186 T HN 0.822 nan 8.240 nan 0.000 0.444 187 E N 1.285 121.263 120.200 -0.369 0.000 2.085 187 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 187 E C 2.295 178.759 176.600 -0.227 0.000 0.994 187 E CA 0.974 57.024 56.400 -0.583 0.000 0.801 187 E CB -0.150 29.056 29.700 -0.823 0.000 0.743 187 E HN 0.337 nan 8.360 nan 0.000 0.453 188 N N 0.159 118.750 118.700 -0.183 0.000 2.120 188 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 188 N C 1.827 177.237 175.510 -0.167 0.000 1.024 188 N CA 1.576 54.539 53.050 -0.145 0.000 0.852 188 N CB -0.306 38.101 38.487 -0.134 0.000 1.003 188 N HN 0.251 nan 8.380 nan 0.000 0.424 189 G N -0.036 108.680 108.800 -0.140 0.000 2.920 189 G HA2 0.059 4.019 3.960 -0.000 0.000 0.208 189 G HA3 0.059 4.019 3.960 -0.000 0.000 0.208 189 G C 1.636 176.554 174.900 0.029 0.000 1.159 189 G CA -0.082 44.990 45.100 -0.047 0.000 0.784 189 G HN 0.294 nan 8.290 nan 0.000 0.535 190 I N -1.159 119.297 120.570 -0.190 0.000 2.512 190 I HA 0.064 4.234 4.170 -0.000 0.000 0.247 190 I C 1.528 177.349 176.117 -0.492 0.000 1.094 190 I CA 0.551 61.623 61.300 -0.381 0.000 1.427 190 I CB 0.106 37.718 38.000 -0.647 0.000 1.149 190 I HN 0.083 nan 8.210 nan 0.000 0.438 191 Y N 1.393 121.574 120.300 -0.199 0.000 2.466 191 Y HA 0.236 4.786 4.550 -0.000 0.000 0.272 191 Y C 0.575 176.208 175.900 -0.445 0.000 1.169 191 Y CA -0.028 57.811 58.100 -0.435 0.000 1.285 191 Y CB -0.222 38.017 38.460 -0.368 0.000 1.078 191 Y HN -0.031 nan 8.280 nan 0.000 0.523 192 K N 0.117 120.413 120.400 -0.174 0.000 2.350 192 K HA 0.318 4.638 4.320 -0.000 0.000 0.241 192 K C -0.767 175.740 176.600 -0.155 0.000 0.994 192 K CA -1.244 54.950 56.287 -0.155 0.000 0.839 192 K CB 1.107 33.499 32.500 -0.180 0.000 1.244 192 K HN -0.126 nan 8.250 nan 0.000 0.443 193 N N 1.125 119.736 118.700 -0.148 0.000 2.482 193 N HA 0.139 4.879 4.740 -0.000 0.000 0.260 193 N C -0.422 174.895 175.510 -0.322 0.000 1.236 193 N CA -0.067 52.875 53.050 -0.180 0.000 0.938 193 N CB 0.386 38.767 38.487 -0.178 0.000 1.128 193 N HN 0.347 nan 8.380 nan 0.000 0.448 194 L N 3.582 124.604 121.223 -0.336 0.000 2.278 194 L HA 0.165 4.505 4.340 -0.000 0.000 0.287 194 L C -0.011 176.598 176.870 -0.436 0.000 1.072 194 L CA -0.188 54.327 54.840 -0.542 0.000 0.819 194 L CB -0.350 41.452 42.059 -0.427 0.000 1.176 194 L HN 0.540 nan 8.230 nan 0.000 0.435 195 Y N 1.465 121.645 120.300 -0.199 0.000 2.887 195 Y HA -0.397 4.153 4.550 -0.000 0.000 0.467 195 Y C 1.174 176.977 175.900 -0.162 0.000 1.191 195 Y CA 1.036 59.045 58.100 -0.151 0.000 2.537 195 Y CB -0.994 37.390 38.460 -0.127 0.000 1.225 195 Y HN 0.824 nan 8.280 nan 0.000 0.630 196 D N 0.739 121.172 120.400 0.056 0.000 2.501 196 D HA 0.288 4.928 4.640 -0.000 0.000 0.226 196 D C -0.311 175.899 176.300 -0.149 0.000 1.198 196 D CA 0.026 53.991 54.000 -0.059 0.000 0.830 196 D CB -0.625 40.181 40.800 0.009 0.000 1.014 196 D HN 0.392 nan 8.370 nan 0.000 0.496 197 L N 1.184 122.310 121.223 -0.162 0.000 2.367 197 L HA 0.400 4.739 4.340 -0.000 0.000 0.275 197 L C 0.744 177.453 176.870 -0.269 0.000 1.129 197 L CA -0.815 53.891 54.840 -0.223 0.000 0.839 197 L CB 0.959 42.832 42.059 -0.310 0.000 1.133 197 L HN 0.038 nan 8.230 nan 0.000 0.453 198 A N 2.773 125.384 122.820 -0.348 0.000 2.484 198 A HA 0.059 4.379 4.320 -0.000 0.000 0.268 198 A C -0.190 177.379 177.584 -0.025 0.000 1.114 198 A CA -0.231 51.491 52.037 -0.525 0.000 0.780 198 A CB -0.241 18.311 19.000 -0.747 0.000 1.061 198 A HN 0.717 nan 8.150 nan 0.000 0.505 199 D N 2.608 123.031 120.400 0.038 0.000 2.316 199 D HA 0.393 5.033 4.640 -0.000 0.000 0.245 199 D C 0.028 176.422 176.300 0.157 0.000 1.171 199 D CA 0.052 54.148 54.000 0.159 0.000 0.856 199 D CB 0.401 41.302 40.800 0.170 0.000 1.090 199 D HN 0.480 nan 8.370 nan 0.000 0.476 200 L N 3.477 124.698 121.223 -0.002 0.000 2.453 200 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 200 L C 0.743 177.172 176.870 -0.736 0.000 1.182 200 L CA -0.194 54.405 54.840 -0.401 0.000 0.858 200 L CB 0.249 41.974 42.059 -0.558 0.000 1.120 200 L HN 0.420 nan 8.230 nan 0.000 0.474 201 N N 1.373 119.586 118.700 -0.811 0.000 2.521 201 N HA 0.082 4.822 4.740 -0.000 0.000 0.236 201 N C 0.551 175.672 175.510 -0.649 0.000 1.067 201 N CA -0.234 52.327 53.050 -0.815 0.000 0.939 201 N CB 0.352 38.465 38.487 -0.623 0.000 1.201 201 N HN 0.418 nan 8.380 nan 0.000 0.511 202 H N 1.185 119.994 119.070 -0.435 0.000 2.561 202 H HA -0.012 4.544 4.556 -0.000 0.000 0.278 202 H C 1.187 176.360 175.328 -0.258 0.000 1.014 202 H CA 0.756 56.453 56.048 -0.584 0.000 1.211 202 H CB 0.110 29.037 29.762 -1.392 0.000 1.365 202 H HN 0.590 nan 8.280 nan 0.000 0.594 203 N N 0.690 119.376 118.700 -0.024 0.000 2.467 203 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 203 N C 0.105 175.628 175.510 0.020 0.000 1.106 203 N CA -0.070 53.025 53.050 0.075 0.000 0.892 203 N CB 0.124 38.697 38.487 0.144 0.000 0.969 203 N HN 0.154 nan 8.380 nan 0.000 0.454 204 N N 0.146 118.805 118.700 -0.068 0.000 2.422 204 N HA 0.062 4.802 4.740 -0.000 0.000 0.264 204 N C 0.128 175.623 175.510 -0.024 0.000 1.063 204 N CA 0.103 53.110 53.050 -0.071 0.000 0.959 204 N CB 1.269 39.660 38.487 -0.160 0.000 1.087 204 N HN 0.023 nan 8.380 nan 0.000 0.483 205 S N 2.427 118.139 115.700 0.020 0.000 2.387 205 S HA -0.146 4.324 4.470 -0.000 0.000 0.230 205 S C 1.529 176.166 174.600 0.061 0.000 1.035 205 S CA 1.860 60.096 58.200 0.060 0.000 1.014 205 S CB -0.110 63.124 63.200 0.057 0.000 0.836 205 S HN 0.744 nan 8.310 nan 0.000 0.466 206 T N 1.672 116.234 114.554 0.014 0.000 2.777 206 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 206 T C 1.924 176.646 174.700 0.037 0.000 1.040 206 T CA 1.211 63.321 62.100 0.015 0.000 1.141 206 T CB -0.394 68.444 68.868 -0.050 0.000 0.868 206 T HN 0.219 nan 8.240 nan 0.000 0.444 207 V N 1.800 121.686 119.914 -0.047 0.000 2.358 207 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 207 V C 2.414 178.582 176.094 0.124 0.000 1.047 207 V CA 1.895 64.159 62.300 -0.060 0.000 1.035 207 V CB -0.632 31.014 31.823 -0.295 0.000 0.658 207 V HN 0.481 nan 8.190 nan 0.000 0.452 208 D N 0.262 120.754 120.400 0.153 0.000 2.087 208 D HA -0.175 4.465 4.640 -0.000 0.000 0.192 208 D C 1.993 178.519 176.300 0.376 0.000 0.993 208 D CA 1.863 56.090 54.000 0.378 0.000 0.828 208 D CB -0.166 40.852 40.800 0.362 0.000 0.968 208 D HN 0.190 nan 8.370 nan 0.000 0.448 209 V N -0.175 119.888 119.914 0.249 0.000 2.515 209 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 209 V C 2.083 178.301 176.094 0.207 0.000 1.058 209 V CA 1.682 64.099 62.300 0.196 0.000 1.064 209 V CB -0.827 31.079 31.823 0.139 0.000 0.675 209 V HN 0.347 nan 8.190 nan 0.000 0.461 210 Y N 0.652 121.018 120.300 0.111 0.000 2.145 210 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 210 Y C 2.128 178.124 175.900 0.160 0.000 1.145 210 Y CA 1.719 59.883 58.100 0.106 0.000 1.148 210 Y CB -0.225 38.272 38.460 0.062 0.000 0.981 210 Y HN 0.168 nan 8.280 nan 0.000 0.507 211 L N 0.019 121.354 121.223 0.188 0.000 2.056 211 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 211 L C 2.370 179.439 176.870 0.333 0.000 1.078 211 L CA 1.627 56.613 54.840 0.244 0.000 0.749 211 L CB -0.482 41.864 42.059 0.479 0.000 0.901 211 L HN 0.086 nan 8.230 nan 0.000 0.433 212 K N -0.243 120.325 120.400 0.280 0.000 2.148 212 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 212 K C 1.674 178.244 176.600 -0.050 0.000 1.050 212 K CA 1.208 57.536 56.287 0.069 0.000 0.942 212 K CB -0.042 32.482 32.500 0.040 0.000 0.724 212 K HN 0.228 nan 8.250 nan 0.000 0.446 213 D N 0.278 120.656 120.400 -0.037 0.000 2.137 213 D HA -0.047 4.593 4.640 -0.000 0.000 0.202 213 D C 1.860 178.106 176.300 -0.090 0.000 0.970 213 D CA 1.103 55.048 54.000 -0.092 0.000 0.837 213 D CB -0.145 40.615 40.800 -0.067 0.000 0.981 213 D HN 0.156 nan 8.370 nan 0.000 0.475 214 A N 1.060 123.825 122.820 -0.091 0.000 1.883 214 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 214 A C 2.223 179.938 177.584 0.218 0.000 1.186 214 A CA 1.099 53.167 52.037 0.052 0.000 0.624 214 A CB -0.733 18.306 19.000 0.064 0.000 0.822 214 A HN 0.216 nan 8.150 nan 0.000 0.444 215 I N -0.264 120.372 120.570 0.109 0.000 2.361 215 I HA -0.184 3.986 4.170 -0.000 0.000 0.251 215 I C 2.109 178.224 176.117 -0.004 0.000 1.133 215 I CA 1.522 62.787 61.300 -0.058 0.000 1.413 215 I CB -0.239 37.575 38.000 -0.309 0.000 1.073 215 I HN 0.254 nan 8.210 nan 0.000 0.424 216 K N -0.399 119.960 120.400 -0.069 0.000 2.147 216 K HA -0.200 4.120 4.320 -0.000 0.000 0.205 216 K C 2.140 178.741 176.600 0.002 0.000 1.049 216 K CA 1.762 58.012 56.287 -0.061 0.000 0.936 216 K CB -0.282 32.034 32.500 -0.306 0.000 0.722 216 K HN 0.420 nan 8.250 nan 0.000 0.446 217 M N -0.236 119.304 119.600 -0.099 0.000 2.086 217 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 217 M C 1.409 177.546 176.300 -0.272 0.000 1.067 217 M CA 1.826 56.982 55.300 -0.239 0.000 1.116 217 M CB -0.197 32.141 32.600 -0.436 0.000 1.348 217 M HN 0.184 nan 8.290 nan 0.000 0.407 218 W N 0.754 122.045 121.300 -0.014 0.000 2.363 218 W HA -0.117 4.543 4.660 0.000 0.000 0.296 218 W C 2.095 178.645 176.519 0.052 0.000 1.212 218 W CA 0.746 58.083 57.345 -0.014 0.000 1.260 218 W CB -0.619 28.805 29.460 -0.060 0.000 1.131 218 W HN 0.201 nan 8.180 nan 0.000 0.530 219 L N -0.086 121.267 121.223 0.216 0.000 2.046 219 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 219 L C 1.937 178.895 176.870 0.148 0.000 1.077 219 L CA 1.231 56.179 54.840 0.180 0.000 0.747 219 L CB -0.735 41.441 42.059 0.195 0.000 0.896 219 L HN -0.076 nan 8.230 nan 0.000 0.432 220 D N -0.017 120.460 120.400 0.130 0.000 2.219 220 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 220 D C 2.247 178.591 176.300 0.073 0.000 0.970 220 D CA 0.964 55.017 54.000 0.089 0.000 0.851 220 D CB 0.011 40.855 40.800 0.072 0.000 0.943 220 D HN 0.286 nan 8.370 nan 0.000 0.488 221 L N -0.694 120.584 121.223 0.091 0.000 2.551 221 L HA 0.080 4.420 4.340 -0.000 0.000 0.228 221 L C 1.573 178.563 176.870 0.201 0.000 1.153 221 L CA 0.721 55.653 54.840 0.152 0.000 0.851 221 L CB 0.027 42.210 42.059 0.206 0.000 0.959 221 L HN 0.174 nan 8.230 nan 0.000 0.451 222 G N 0.408 109.321 108.800 0.190 0.000 2.184 222 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.206 222 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.206 222 G C 0.445 175.483 174.900 0.230 0.000 0.995 222 G CA -0.028 45.181 45.100 0.183 0.000 0.651 222 G HN 0.362 nan 8.290 nan 0.000 0.511 223 I N -1.444 119.284 120.570 0.264 0.000 2.948 223 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 223 I C 0.562 176.837 176.117 0.263 0.000 1.226 223 I CA 0.537 61.999 61.300 0.269 0.000 1.413 223 I CB 0.552 38.737 38.000 0.308 0.000 1.352 223 I HN -0.037 nan 8.210 nan 0.000 0.597 224 D N 3.793 124.379 120.400 0.310 0.000 2.417 224 D HA 0.272 4.912 4.640 -0.000 0.000 0.207 224 D C 0.636 177.202 176.300 0.443 0.000 1.075 224 D CA 0.426 54.652 54.000 0.377 0.000 0.851 224 D CB 1.190 42.252 40.800 0.437 0.000 0.976 224 D HN 0.851 nan 8.370 nan 0.000 0.505 225 G N 0.294 109.264 108.800 0.284 0.000 2.559 225 G HA2 0.575 4.535 3.960 -0.000 0.000 0.291 225 G HA3 0.575 4.535 3.960 -0.000 0.000 0.291 225 G C -1.799 173.126 174.900 0.043 0.000 1.424 225 G CA -0.673 44.518 45.100 0.151 0.000 0.786 225 G HN -0.008 nan 8.290 nan 0.000 0.485 226 I N 0.189 120.714 120.570 -0.075 0.000 2.686 226 I HA 0.529 4.699 4.170 -0.000 0.000 0.295 226 I C -0.470 175.357 176.117 -0.483 0.000 1.114 226 I CA -0.987 60.219 61.300 -0.157 0.000 1.038 226 I CB 2.544 40.511 38.000 -0.054 0.000 1.238 226 I HN 0.259 nan 8.210 nan 0.000 0.420 227 R N 7.076 127.222 120.500 -0.590 0.000 2.275 227 R HA 0.485 4.825 4.340 -0.000 0.000 0.326 227 R C -1.228 174.830 176.300 -0.404 0.000 0.973 227 R CA -0.653 54.819 56.100 -1.045 0.000 0.854 227 R CB 1.044 30.498 30.300 -1.411 0.000 1.156 227 R HN 0.596 nan 8.270 nan 0.000 0.487 228 M N 2.729 122.154 119.600 -0.292 0.000 2.146 228 M HA 0.118 4.598 4.480 -0.000 0.000 0.357 228 M C 0.027 176.340 176.300 0.021 0.000 1.261 228 M CA -0.408 54.870 55.300 -0.038 0.000 1.106 228 M CB 0.949 33.558 32.600 0.015 0.000 1.612 228 M HN 0.430 nan 8.290 nan 0.000 0.470 229 D N 2.270 122.721 120.400 0.085 0.000 2.264 229 D HA 0.480 5.120 4.640 -0.000 0.000 0.249 229 D C 0.318 176.684 176.300 0.111 0.000 1.070 229 D CA 0.247 54.319 54.000 0.119 0.000 0.912 229 D CB 0.889 41.781 40.800 0.153 0.000 1.193 229 D HN 0.828 nan 8.370 nan 0.000 0.427 230 A N 2.325 125.226 122.820 0.135 0.000 2.745 230 A HA -0.180 4.140 4.320 -0.000 0.000 0.296 230 A C 1.486 179.127 177.584 0.094 0.000 1.500 230 A CA 0.964 53.112 52.037 0.184 0.000 0.766 230 A CB -2.446 16.695 19.000 0.234 0.000 1.030 230 A HN 1.150 nan 8.150 nan 0.000 0.489 231 V N -2.016 117.906 119.914 0.014 0.000 2.759 231 V HA -0.096 4.024 4.120 -0.000 0.000 0.256 231 V C 1.792 177.704 176.094 -0.304 0.000 1.080 231 V CA 2.489 64.745 62.300 -0.073 0.000 1.101 231 V CB -0.520 31.281 31.823 -0.037 0.000 0.698 231 V HN 0.651 nan 8.190 nan 0.000 0.477 232 K N -0.765 119.283 120.400 -0.587 0.000 2.486 232 K HA -0.041 4.279 4.320 -0.000 0.000 0.194 232 K C 1.351 177.423 176.600 -0.879 0.000 1.033 232 K CA 0.690 56.332 56.287 -1.074 0.000 1.004 232 K CB -0.109 31.363 32.500 -1.714 0.000 0.798 232 K HN 0.708 nan 8.250 nan 0.000 0.495 233 H N -0.852 118.119 119.070 -0.166 0.000 2.594 233 H HA 0.235 4.791 4.556 -0.000 0.000 0.279 233 H C 0.001 175.258 175.328 -0.118 0.000 1.042 233 H CA 0.085 56.052 56.048 -0.135 0.000 1.177 233 H CB 0.353 30.066 29.762 -0.082 0.000 1.524 233 H HN 0.114 nan 8.280 nan 0.000 0.537 234 M N 0.948 120.531 119.600 -0.028 0.000 2.591 234 M HA 0.356 4.836 4.480 -0.000 0.000 0.306 234 M C -2.592 173.694 176.300 -0.022 0.000 1.190 234 M CA -1.985 53.297 55.300 -0.029 0.000 0.889 234 M CB 2.792 35.401 32.600 0.015 0.000 1.728 234 M HN -0.234 nan 8.290 nan 0.000 0.458 235 P HA -0.006 nan 4.420 nan 0.000 0.264 235 P C -0.077 177.380 177.300 0.263 0.000 1.193 235 P CA 0.135 63.221 63.100 -0.023 0.000 0.763 235 P CB 0.123 31.891 31.700 0.114 0.000 0.810 236 F N 2.265 122.343 119.950 0.215 0.000 2.134 236 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 236 F C 2.526 178.467 175.800 0.235 0.000 1.097 236 F CA 1.605 59.820 58.000 0.359 0.000 1.264 236 F CB -2.247 37.042 39.000 0.482 0.000 1.001 236 F HN 0.362 nan 8.300 nan 0.000 0.479 237 G N -1.187 107.786 108.800 0.288 0.000 2.422 237 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.218 237 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.218 237 G C 1.584 176.608 174.900 0.206 0.000 1.146 237 G CA 0.626 45.852 45.100 0.210 0.000 0.769 237 G HN 0.473 nan 8.290 nan 0.000 0.547 238 W N 1.303 122.676 121.300 0.122 0.000 2.355 238 W HA -0.073 4.587 4.660 -0.000 0.000 0.309 238 W C 2.839 179.437 176.519 0.131 0.000 1.206 238 W CA 1.726 59.137 57.345 0.111 0.000 1.284 238 W CB -0.172 29.320 29.460 0.052 0.000 1.145 238 W HN 0.274 nan 8.180 nan 0.000 0.502 239 Q N 0.210 120.113 119.800 0.172 0.000 2.135 239 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 239 Q C 2.229 178.204 176.000 -0.041 0.000 0.981 239 Q CA 2.043 57.872 55.803 0.043 0.000 0.856 239 Q CB -0.495 28.466 28.738 0.371 0.000 0.902 239 Q HN 0.369 nan 8.270 nan 0.000 0.425 240 K N 0.672 121.071 120.400 -0.001 0.000 2.057 240 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 240 K C 2.268 178.812 176.600 -0.093 0.000 1.049 240 K CA 1.595 57.853 56.287 -0.049 0.000 0.931 240 K CB -0.089 32.402 32.500 -0.014 0.000 0.714 240 K HN 0.194 nan 8.250 nan 0.000 0.440 241 S N -0.147 115.469 115.700 -0.139 0.000 2.423 241 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 241 S C 1.835 176.277 174.600 -0.263 0.000 1.014 241 S CA 0.644 58.742 58.200 -0.169 0.000 0.965 241 S CB -0.527 62.594 63.200 -0.132 0.000 0.785 241 S HN 0.453 nan 8.310 nan 0.000 0.495 242 F N 1.565 121.146 119.950 -0.616 0.000 2.206 242 F HA 0.179 4.706 4.527 -0.000 0.000 0.298 242 F C 2.211 177.843 175.800 -0.281 0.000 1.090 242 F CA 1.029 58.681 58.000 -0.580 0.000 1.323 242 F CB -0.186 38.279 39.000 -0.892 0.000 1.028 242 F HN 0.112 nan 8.300 nan 0.000 0.492 243 M N 0.431 120.005 119.600 -0.043 0.000 2.175 243 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 243 M C 2.506 178.730 176.300 -0.127 0.000 1.063 243 M CA 1.424 56.689 55.300 -0.059 0.000 1.119 243 M CB -1.853 30.733 32.600 -0.023 0.000 1.377 243 M HN 0.303 nan 8.290 nan 0.000 0.415 244 A N 0.001 122.745 122.820 -0.125 0.000 1.902 244 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 244 A C 2.411 179.924 177.584 -0.118 0.000 1.181 244 A CA 2.028 54.004 52.037 -0.101 0.000 0.623 244 A CB -0.895 18.058 19.000 -0.079 0.000 0.818 244 A HN 0.461 nan 8.150 nan 0.000 0.443 245 A N -0.568 122.134 122.820 -0.197 0.000 1.902 245 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 245 A C 2.245 179.715 177.584 -0.190 0.000 1.181 245 A CA 1.836 53.744 52.037 -0.214 0.000 0.623 245 A CB -0.895 17.919 19.000 -0.310 0.000 0.818 245 A HN 0.370 nan 8.150 nan 0.000 0.443 246 V N 0.938 120.685 119.914 -0.279 0.000 2.270 246 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 246 V C 2.221 178.299 176.094 -0.026 0.000 1.043 246 V CA 2.177 64.378 62.300 -0.165 0.000 1.014 246 V CB -0.943 30.744 31.823 -0.226 0.000 0.645 246 V HN 0.559 nan 8.190 nan 0.000 0.447 247 N N 0.724 119.402 118.700 -0.038 0.000 2.244 247 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 247 N C 1.461 176.984 175.510 0.023 0.000 1.016 247 N CA 0.978 54.031 53.050 0.004 0.000 0.866 247 N CB -0.502 37.987 38.487 0.003 0.000 0.980 247 N HN 0.430 nan 8.380 nan 0.000 0.430 248 N N -0.441 118.272 118.700 0.022 0.000 2.461 248 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 248 N C 0.817 176.388 175.510 0.102 0.000 1.134 248 N CA 0.189 53.264 53.050 0.041 0.000 0.878 248 N CB 0.171 38.669 38.487 0.019 0.000 0.972 248 N HN 0.344 nan 8.380 nan 0.000 0.456 249 Y N 0.565 120.832 120.300 -0.054 0.000 2.687 249 Y HA 0.366 4.916 4.550 -0.000 0.000 0.246 249 Y C -0.248 175.634 175.900 -0.029 0.000 1.061 249 Y CA 0.589 58.660 58.100 -0.048 0.000 1.400 249 Y CB 0.568 38.983 38.460 -0.075 0.000 1.325 249 Y HN -0.322 nan 8.280 nan 0.000 0.498 250 K N 1.903 122.176 120.400 -0.211 0.000 2.723 250 K HA 0.305 4.625 4.320 -0.000 0.000 0.229 250 K C -2.907 173.664 176.600 -0.049 0.000 1.022 250 K CA -2.190 53.946 56.287 -0.252 0.000 1.045 250 K CB 1.618 33.894 32.500 -0.373 0.000 1.227 250 K HN 0.014 nan 8.250 nan 0.000 0.516 251 P HA -0.025 nan 4.420 nan 0.000 0.264 251 P C -0.481 176.871 177.300 0.086 0.000 1.193 251 P CA -0.254 62.873 63.100 0.045 0.000 0.763 251 P CB 0.824 32.564 31.700 0.068 0.000 0.810 252 V N 0.819 120.803 119.914 0.117 0.000 3.078 252 V HA 0.525 4.645 4.120 -0.000 0.000 0.311 252 V C -0.496 175.740 176.094 0.236 0.000 1.138 252 V CA -1.411 61.008 62.300 0.199 0.000 1.007 252 V CB 1.805 33.739 31.823 0.185 0.000 1.045 252 V HN 0.274 nan 8.190 nan 0.000 0.432 253 F N 2.493 122.545 119.950 0.171 0.000 2.571 253 F HA 0.563 5.090 4.527 -0.000 0.000 0.384 253 F C 0.396 176.233 175.800 0.062 0.000 1.058 253 F CA 0.858 58.934 58.000 0.127 0.000 1.200 253 F CB 0.131 39.164 39.000 0.054 0.000 1.077 253 F HN 0.792 nan 8.300 nan 0.000 0.558 254 T N 8.065 122.292 114.554 -0.545 0.000 2.886 254 T HA 0.614 4.964 4.350 -0.000 0.000 0.292 254 T C -1.237 173.215 174.700 -0.413 0.000 1.012 254 T CA -0.320 61.557 62.100 -0.371 0.000 0.982 254 T CB 1.109 69.899 68.868 -0.129 0.000 1.018 254 T HN 0.401 nan 8.240 nan 0.000 0.451 255 F N -0.403 119.260 119.950 -0.478 0.000 2.591 255 F HA 0.913 5.440 4.527 -0.000 0.000 0.309 255 F C -0.086 175.638 175.800 -0.128 0.000 1.098 255 F CA -1.256 56.547 58.000 -0.328 0.000 0.937 255 F CB 1.071 39.841 39.000 -0.384 0.000 1.250 255 F HN 0.741 nan 8.300 nan 0.000 0.447 256 G N 0.504 109.366 108.800 0.104 0.000 2.685 256 G HA2 0.525 4.485 3.960 -0.000 0.000 0.298 256 G HA3 0.525 4.485 3.960 -0.000 0.000 0.298 256 G C -1.955 173.079 174.900 0.223 0.000 1.277 256 G CA -0.976 44.175 45.100 0.085 0.000 0.986 256 G HN 0.923 nan 8.290 nan 0.000 0.487 257 E N -0.031 120.305 120.200 0.226 0.000 2.109 257 E HA 0.306 4.656 4.350 -0.000 0.000 0.278 257 E C -1.376 175.427 176.600 0.339 0.000 0.954 257 E CA -0.898 55.717 56.400 0.358 0.000 0.779 257 E CB 1.016 30.925 29.700 0.349 0.000 1.093 257 E HN 0.432 nan 8.360 nan 0.000 0.401 258 W N 8.373 129.779 121.300 0.178 0.000 2.517 258 W HA 0.260 4.920 4.660 -0.000 0.000 0.301 258 W C -1.793 174.698 176.519 -0.047 0.000 1.002 258 W CA -1.652 55.713 57.345 0.033 0.000 1.415 258 W CB 0.228 29.670 29.460 -0.030 0.000 1.275 258 W HN 0.504 nan 8.180 nan 0.000 0.413 259 F N 5.796 125.665 119.950 -0.136 0.000 2.607 259 F HA 0.303 4.830 4.527 -0.000 0.000 0.374 259 F C -0.520 175.134 175.800 -0.244 0.000 1.104 259 F CA 0.826 58.421 58.000 -0.675 0.000 1.296 259 F CB 0.629 39.298 39.000 -0.552 0.000 1.085 259 F HN 0.184 nan 8.300 nan 0.000 0.584 260 L N 5.496 126.064 121.223 -1.091 0.000 2.381 260 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 260 L C 0.384 176.908 176.870 -0.577 0.000 0.997 260 L CA -0.911 53.718 54.840 -0.351 0.000 0.818 260 L CB 1.817 43.875 42.059 -0.001 0.000 1.310 260 L HN 0.772 nan 8.230 nan 0.000 0.416 261 G N 0.968 109.728 108.800 -0.067 0.000 2.535 261 G HA2 0.492 4.452 3.960 -0.000 0.000 0.303 261 G HA3 0.492 4.452 3.960 -0.000 0.000 0.303 261 G C -0.345 174.586 174.900 0.052 0.000 1.237 261 G CA -0.618 44.530 45.100 0.080 0.000 0.986 261 G HN 0.277 nan 8.290 nan 0.000 0.494 262 V N 1.932 121.894 119.914 0.080 0.000 2.644 262 V HA -0.042 4.078 4.120 -0.000 0.000 0.305 262 V C 0.954 177.081 176.094 0.054 0.000 1.053 262 V CA 0.620 62.956 62.300 0.061 0.000 1.186 262 V CB 0.539 32.398 31.823 0.059 0.000 0.895 262 V HN 0.940 nan 8.190 nan 0.000 0.490 263 N N 1.692 120.420 118.700 0.046 0.000 2.778 263 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 263 N C 0.379 175.921 175.510 0.054 0.000 1.069 263 N CA 1.528 54.605 53.050 0.045 0.000 0.831 263 N CB -0.522 37.986 38.487 0.036 0.000 1.142 263 N HN 0.962 nan 8.380 nan 0.000 0.573 264 E N 0.812 121.050 120.200 0.062 0.000 2.200 264 E HA 0.422 4.772 4.350 -0.000 0.000 0.283 264 E C -0.859 175.783 176.600 0.070 0.000 1.015 264 E CA -0.413 56.027 56.400 0.068 0.000 0.819 264 E CB 1.065 30.814 29.700 0.082 0.000 1.081 264 E HN -0.018 nan 8.360 nan 0.000 0.397 265 V N 3.855 123.801 119.914 0.054 0.000 2.443 265 V HA 0.260 4.380 4.120 -0.000 0.000 0.293 265 V C -0.515 175.548 176.094 -0.052 0.000 1.021 265 V CA -0.655 61.670 62.300 0.041 0.000 0.848 265 V CB 1.692 33.561 31.823 0.076 0.000 0.998 265 V HN 0.627 nan 8.190 nan 0.000 0.424 266 S N 6.363 121.954 115.700 -0.181 0.000 2.498 266 S HA 0.574 5.044 4.470 -0.000 0.000 0.317 266 S C -1.847 172.372 174.600 -0.635 0.000 1.090 266 S CA -1.566 56.480 58.200 -0.257 0.000 1.089 266 S CB 2.080 65.208 63.200 -0.120 0.000 0.997 266 S HN 0.515 nan 8.310 nan 0.000 0.470 267 P HA 0.024 nan 4.420 nan 0.000 0.221 267 P C 0.882 178.031 177.300 -0.251 0.000 1.150 267 P CA 0.785 63.652 63.100 -0.388 0.000 0.800 267 P CB 0.216 31.849 31.700 -0.112 0.000 0.787 268 E N -0.548 119.565 120.200 -0.144 0.000 2.107 268 E HA -0.171 4.178 4.350 -0.000 0.000 0.191 268 E C 1.950 178.306 176.600 -0.407 0.000 0.982 268 E CA 0.800 57.184 56.400 -0.025 0.000 0.809 268 E CB -0.363 29.523 29.700 0.309 0.000 0.756 268 E HN 0.251 nan 8.360 nan 0.000 0.459 269 N N -0.076 118.153 118.700 -0.785 0.000 2.106 269 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 269 N C 1.648 176.907 175.510 -0.418 0.000 1.029 269 N CA 1.413 53.747 53.050 -1.193 0.000 0.848 269 N CB -0.002 37.869 38.487 -1.028 0.000 1.007 269 N HN 0.247 nan 8.380 nan 0.000 0.423 270 H N -0.451 118.433 119.070 -0.311 0.000 2.353 270 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 270 H C 2.009 177.262 175.328 -0.125 0.000 1.090 270 H CA 1.138 57.018 56.048 -0.281 0.000 1.327 270 H CB -0.007 29.513 29.762 -0.403 0.000 1.383 270 H HN 0.242 nan 8.280 nan 0.000 0.508 271 K N 0.878 121.281 120.400 0.006 0.000 2.057 271 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 271 K C 1.964 178.579 176.600 0.025 0.000 1.049 271 K CA 1.278 57.583 56.287 0.030 0.000 0.931 271 K CB -0.174 32.359 32.500 0.055 0.000 0.714 271 K HN 0.185 nan 8.250 nan 0.000 0.440 272 F N 1.212 121.066 119.950 -0.160 0.000 2.102 272 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 272 F C 2.059 177.822 175.800 -0.063 0.000 1.105 272 F CA 1.738 59.629 58.000 -0.182 0.000 1.239 272 F CB -0.422 38.349 39.000 -0.381 0.000 0.991 272 F HN 0.109 nan 8.300 nan 0.000 0.474 273 A N -0.008 122.897 122.820 0.143 0.000 2.015 273 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 273 A C 1.875 179.488 177.584 0.049 0.000 1.163 273 A CA 1.759 53.879 52.037 0.139 0.000 0.646 273 A CB -0.736 18.464 19.000 0.333 0.000 0.806 273 A HN 0.493 nan 8.150 nan 0.000 0.448 274 N N -0.386 118.339 118.700 0.042 0.000 2.376 274 N HA -0.020 4.720 4.740 -0.000 0.000 0.177 274 N C 1.244 176.727 175.510 -0.046 0.000 1.024 274 N CA 1.252 54.312 53.050 0.016 0.000 0.893 274 N CB -0.007 38.492 38.487 0.020 0.000 0.980 274 N HN 0.695 nan 8.380 nan 0.000 0.439 275 E N -1.067 119.070 120.200 -0.105 0.000 2.508 275 E HA 0.093 4.443 4.350 -0.000 0.000 0.217 275 E C 1.252 177.734 176.600 -0.198 0.000 0.896 275 E CA 0.041 56.368 56.400 -0.120 0.000 1.118 275 E CB 0.374 30.034 29.700 -0.066 0.000 1.133 275 E HN 0.223 nan 8.360 nan 0.000 0.526 276 S N -0.375 115.096 115.700 -0.381 0.000 2.489 276 S HA 0.091 4.561 4.470 -0.000 0.000 0.228 276 S C 1.749 176.179 174.600 -0.283 0.000 0.995 276 S CA 0.842 58.755 58.200 -0.479 0.000 0.934 276 S CB 0.302 62.779 63.200 -1.205 0.000 0.771 276 S HN 0.336 nan 8.310 nan 0.000 0.522 277 G N 1.152 109.827 108.800 -0.208 0.000 2.213 277 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.226 277 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.226 277 G C -0.017 174.822 174.900 -0.100 0.000 0.992 277 G CA 0.196 45.219 45.100 -0.128 0.000 0.632 277 G HN 0.919 nan 8.290 nan 0.000 0.511 278 M N -0.008 119.511 119.600 -0.134 0.000 2.727 278 M HA 0.850 5.330 4.480 -0.000 0.000 0.300 278 M C 0.328 176.610 176.300 -0.029 0.000 1.246 278 M CA -0.239 55.018 55.300 -0.071 0.000 0.835 278 M CB 1.962 34.559 32.600 -0.004 0.000 1.755 278 M HN 0.583 nan 8.290 nan 0.000 0.473 279 S N 0.783 116.468 115.700 -0.024 0.000 2.677 279 S HA 0.898 5.368 4.470 -0.000 0.000 0.290 279 S C -0.503 174.181 174.600 0.140 0.000 1.124 279 S CA -0.860 57.364 58.200 0.041 0.000 1.017 279 S CB 1.223 64.435 63.200 0.020 0.000 1.215 279 S HN 0.758 nan 8.310 nan 0.000 0.524 280 L N -0.156 121.141 121.223 0.124 0.000 2.376 280 L HA 0.490 4.830 4.340 -0.000 0.000 0.258 280 L C -0.934 176.053 176.870 0.196 0.000 1.013 280 L CA -1.026 53.945 54.840 0.219 0.000 0.822 280 L CB 1.720 43.920 42.059 0.235 0.000 1.388 280 L HN 0.579 nan 8.230 nan 0.000 0.413 281 L N 1.540 122.964 121.223 0.335 0.000 2.462 281 L HA 0.035 4.375 4.340 -0.000 0.000 0.272 281 L C 0.155 177.226 176.870 0.335 0.000 1.166 281 L CA 0.106 55.145 54.840 0.332 0.000 0.880 281 L CB 0.191 42.458 42.059 0.348 0.000 1.142 281 L HN 0.528 nan 8.230 nan 0.000 0.473 282 D N 3.286 123.816 120.400 0.217 0.000 2.608 282 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 282 D C 0.937 177.246 176.300 0.014 0.000 1.123 282 D CA 0.093 54.132 54.000 0.064 0.000 1.030 282 D CB 0.151 40.879 40.800 -0.118 0.000 1.093 282 D HN 0.286 nan 8.370 nan 0.000 0.497 283 F N 0.929 120.987 119.950 0.179 0.000 2.216 283 F HA -0.077 4.450 4.527 -0.000 0.000 0.300 283 F C 2.527 178.327 175.800 -0.001 0.000 1.085 283 F CA 0.760 58.797 58.000 0.062 0.000 1.326 283 F CB -0.021 38.976 39.000 -0.006 0.000 1.027 283 F HN 0.249 nan 8.300 nan 0.000 0.497 284 R N -0.414 120.228 120.500 0.236 0.000 2.081 284 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 284 R C 2.294 178.683 176.300 0.148 0.000 1.131 284 R CA 1.768 57.984 56.100 0.192 0.000 0.960 284 R CB -0.650 29.807 30.300 0.261 0.000 0.856 284 R HN 0.303 nan 8.270 nan 0.000 0.436 285 F N 0.740 120.674 119.950 -0.028 0.000 2.084 285 F HA -0.101 4.426 4.527 -0.000 0.000 0.296 285 F C 2.147 177.869 175.800 -0.130 0.000 1.111 285 F CA 1.647 59.614 58.000 -0.056 0.000 1.224 285 F CB -0.552 38.390 39.000 -0.097 0.000 0.991 285 F HN 0.111 nan 8.300 nan 0.000 0.471 286 A N 0.259 123.036 122.820 -0.072 0.000 1.883 286 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 286 A C 2.135 179.649 177.584 -0.117 0.000 1.186 286 A CA 1.833 53.690 52.037 -0.301 0.000 0.624 286 A CB -0.923 17.508 19.000 -0.948 0.000 0.822 286 A HN 0.560 nan 8.150 nan 0.000 0.444 287 Q N -0.594 119.179 119.800 -0.045 0.000 2.135 287 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 287 Q C 2.055 178.054 176.000 -0.002 0.000 0.981 287 Q CA 1.822 57.639 55.803 0.022 0.000 0.856 287 Q CB -0.357 28.412 28.738 0.052 0.000 0.902 287 Q HN 0.595 nan 8.270 nan 0.000 0.425 288 K N 0.771 121.147 120.400 -0.041 0.000 2.057 288 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 288 K C 2.017 178.558 176.600 -0.099 0.000 1.050 288 K CA 0.721 56.963 56.287 -0.075 0.000 0.935 288 K CB -0.444 32.001 32.500 -0.092 0.000 0.715 288 K HN -0.016 nan 8.250 nan 0.000 0.439 289 V N 1.044 120.880 119.914 -0.130 0.000 2.392 289 V HA -0.250 3.870 4.120 -0.000 0.000 0.249 289 V C 2.322 178.553 176.094 0.229 0.000 1.059 289 V CA 2.026 64.323 62.300 -0.004 0.000 1.051 289 V CB -0.399 31.356 31.823 -0.115 0.000 0.658 289 V HN 0.311 nan 8.190 nan 0.000 0.455 290 R N -0.648 119.954 120.500 0.171 0.000 2.073 290 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 290 R C 2.422 178.752 176.300 0.051 0.000 1.120 290 R CA 1.360 57.564 56.100 0.174 0.000 0.967 290 R CB -0.316 30.044 30.300 0.100 0.000 0.862 290 R HN 0.582 nan 8.270 nan 0.000 0.436 291 Q N 0.032 119.836 119.800 0.007 0.000 2.135 291 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 291 Q C 2.137 178.094 176.000 -0.072 0.000 0.981 291 Q CA 1.557 57.340 55.803 -0.033 0.000 0.856 291 Q CB 0.057 28.773 28.738 -0.038 0.000 0.902 291 Q HN 0.191 nan 8.270 nan 0.000 0.425 292 V N -0.671 119.173 119.914 -0.117 0.000 2.379 292 V HA -0.148 3.972 4.120 -0.000 0.000 0.243 292 V C 1.493 177.390 176.094 -0.328 0.000 1.035 292 V CA 1.560 63.686 62.300 -0.289 0.000 1.035 292 V CB -0.287 31.227 31.823 -0.515 0.000 0.673 292 V HN 0.245 nan 8.190 nan 0.000 0.457 293 F N -0.807 119.139 119.950 -0.008 0.000 2.714 293 F HA 0.244 4.771 4.527 -0.000 0.000 0.294 293 F C 2.310 178.179 175.800 0.115 0.000 1.120 293 F CA 0.598 58.652 58.000 0.090 0.000 1.398 293 F CB 0.049 39.167 39.000 0.198 0.000 1.120 293 F HN -0.090 nan 8.300 nan 0.000 0.589 294 R N 0.229 120.804 120.500 0.125 0.000 2.076 294 R HA 0.030 4.370 4.340 -0.000 0.000 0.203 294 R C 1.064 177.285 176.300 -0.131 0.000 1.229 294 R CA 0.874 56.856 56.100 -0.196 0.000 1.094 294 R CB -0.091 29.790 30.300 -0.699 0.000 0.991 294 R HN -0.006 nan 8.270 nan 0.000 0.471 295 D N 0.858 121.193 120.400 -0.108 0.000 2.349 295 D HA 0.007 4.647 4.640 -0.000 0.000 0.215 295 D C -0.400 175.868 176.300 -0.054 0.000 1.016 295 D CA 0.352 54.304 54.000 -0.079 0.000 0.870 295 D CB -0.174 40.585 40.800 -0.067 0.000 0.917 295 D HN 0.308 nan 8.370 nan 0.000 0.524 296 N N -0.221 118.446 118.700 -0.055 0.000 2.727 296 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 296 N C 0.194 175.675 175.510 -0.049 0.000 1.048 296 N CA 1.113 54.129 53.050 -0.056 0.000 0.714 296 N CB -1.919 36.541 38.487 -0.045 0.000 0.959 296 N HN 0.266 nan 8.380 nan 0.000 0.544 297 T N -5.241 109.284 114.554 -0.048 0.000 3.134 297 T HA 0.278 4.628 4.350 -0.000 0.000 0.260 297 T C -0.002 174.676 174.700 -0.036 0.000 1.027 297 T CA -0.199 61.880 62.100 -0.035 0.000 0.913 297 T CB 0.776 69.629 68.868 -0.025 0.000 1.046 297 T HN 0.246 nan 8.240 nan 0.000 0.553 298 D N 0.821 121.188 120.400 -0.054 0.000 2.639 298 D HA 0.396 5.035 4.640 -0.000 0.000 0.271 298 D C -1.307 174.944 176.300 -0.082 0.000 1.254 298 D CA -0.458 53.510 54.000 -0.053 0.000 0.810 298 D CB 2.008 42.776 40.800 -0.054 0.000 1.351 298 D HN 0.304 nan 8.370 nan 0.000 0.427 299 N N -0.540 118.125 118.700 -0.059 0.000 3.201 299 N HA 0.265 5.005 4.740 -0.000 0.000 0.344 299 N C 0.973 176.396 175.510 -0.145 0.000 1.465 299 N CA -0.453 52.543 53.050 -0.090 0.000 0.731 299 N CB 0.123 38.616 38.487 0.011 0.000 1.677 299 N HN 0.187 nan 8.380 nan 0.000 0.631 300 M N -0.887 118.589 119.600 -0.206 0.000 2.202 300 M HA -0.067 4.413 4.480 -0.000 0.000 0.262 300 M C 1.327 177.455 176.300 -0.286 0.000 1.063 300 M CA 1.572 56.691 55.300 -0.302 0.000 1.097 300 M CB -1.379 31.023 32.600 -0.331 0.000 1.382 300 M HN 0.501 nan 8.290 nan 0.000 0.413 301 Y N 0.283 120.541 120.300 -0.070 0.000 2.274 301 Y HA -0.083 4.467 4.550 -0.000 0.000 0.290 301 Y C 2.657 178.526 175.900 -0.051 0.000 1.145 301 Y CA 1.493 59.562 58.100 -0.051 0.000 1.203 301 Y CB -1.196 37.236 38.460 -0.047 0.000 0.984 301 Y HN 0.313 nan 8.280 nan 0.000 0.533 302 G N -0.779 108.057 108.800 0.059 0.000 2.421 302 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 302 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 302 G C 1.590 176.467 174.900 -0.038 0.000 1.143 302 G CA 0.623 45.729 45.100 0.010 0.000 0.784 302 G HN 0.319 nan 8.290 nan 0.000 0.541 303 L N 0.720 121.882 121.223 -0.101 0.000 2.027 303 L HA 0.147 4.487 4.340 -0.000 0.000 0.206 303 L C 2.678 179.514 176.870 -0.057 0.000 1.074 303 L CA 2.159 56.919 54.840 -0.134 0.000 0.745 303 L CB -0.386 41.520 42.059 -0.256 0.000 0.898 303 L HN 0.222 nan 8.230 nan 0.000 0.433 304 K N -0.629 119.743 120.400 -0.046 0.000 2.057 304 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 304 K C 1.913 178.531 176.600 0.030 0.000 1.049 304 K CA 1.334 57.621 56.287 0.000 0.000 0.931 304 K CB -0.201 32.295 32.500 -0.006 0.000 0.714 304 K HN 0.403 nan 8.250 nan 0.000 0.440 305 A N 1.560 124.401 122.820 0.035 0.000 1.969 305 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 305 A C 2.087 179.697 177.584 0.044 0.000 1.169 305 A CA 1.349 53.412 52.037 0.044 0.000 0.635 305 A CB -0.494 18.534 19.000 0.047 0.000 0.810 305 A HN 0.474 nan 8.150 nan 0.000 0.445 306 M N -0.177 119.446 119.600 0.038 0.000 2.200 306 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 306 M C 1.825 178.180 176.300 0.090 0.000 1.066 306 M CA 1.584 56.920 55.300 0.060 0.000 1.127 306 M CB -0.826 31.797 32.600 0.040 0.000 1.379 306 M HN 0.411 nan 8.290 nan 0.000 0.420 307 L N 0.466 121.739 121.223 0.083 0.000 2.017 307 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 307 L C 2.585 179.504 176.870 0.081 0.000 1.073 307 L CA 1.331 56.232 54.840 0.101 0.000 0.745 307 L CB -0.859 41.247 42.059 0.079 0.000 0.894 307 L HN 0.297 nan 8.230 nan 0.000 0.432 308 E N 0.329 120.566 120.200 0.062 0.000 2.047 308 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 308 E C 2.229 178.851 176.600 0.038 0.000 0.987 308 E CA 1.404 57.834 56.400 0.051 0.000 0.799 308 E CB -0.680 29.047 29.700 0.044 0.000 0.752 308 E HN 0.504 nan 8.360 nan 0.000 0.449 309 G N 2.191 111.012 108.800 0.034 0.000 2.459 309 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.217 309 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.217 309 G C 1.877 176.765 174.900 -0.020 0.000 1.183 309 G CA 2.123 47.227 45.100 0.007 0.000 0.776 309 G HN 0.436 nan 8.290 nan 0.000 0.552 310 S N 1.364 117.089 115.700 0.041 0.000 2.383 310 S HA 0.059 4.529 4.470 -0.000 0.000 0.229 310 S C 2.584 177.251 174.600 0.112 0.000 1.030 310 S CA 1.664 59.924 58.200 0.099 0.000 1.002 310 S CB -0.570 62.783 63.200 0.254 0.000 0.829 310 S HN 0.712 nan 8.310 nan 0.000 0.467 311 A N 1.427 124.297 122.820 0.083 0.000 2.070 311 A HA 0.361 4.681 4.320 -0.000 0.000 0.220 311 A C 2.375 179.974 177.584 0.025 0.000 1.159 311 A CA 1.628 53.707 52.037 0.070 0.000 0.656 311 A CB -1.086 17.950 19.000 0.060 0.000 0.800 311 A HN 0.917 nan 8.150 nan 0.000 0.453 312 A N -0.616 122.192 122.820 -0.019 0.000 1.956 312 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 312 A C 1.647 179.148 177.584 -0.138 0.000 1.188 312 A CA 1.156 53.160 52.037 -0.055 0.000 0.675 312 A CB -0.125 18.849 19.000 -0.044 0.000 0.845 312 A HN 0.373 nan 8.150 nan 0.000 0.455 313 D N -0.969 119.260 120.400 -0.285 0.000 2.149 313 D HA -0.010 4.630 4.640 -0.000 0.000 0.201 313 D C -0.305 175.625 176.300 -0.618 0.000 0.972 313 D CA 0.909 54.547 54.000 -0.603 0.000 0.835 313 D CB -0.212 39.806 40.800 -1.303 0.000 0.966 313 D HN 0.464 nan 8.370 nan 0.000 0.476 314 Y N 0.251 120.423 120.300 -0.213 0.000 2.327 314 Y HA 0.407 4.957 4.550 -0.000 0.000 0.336 314 Y C 1.284 177.144 175.900 -0.067 0.000 1.035 314 Y CA -0.740 57.295 58.100 -0.109 0.000 1.165 314 Y CB 1.442 39.865 38.460 -0.062 0.000 1.181 314 Y HN -0.165 nan 8.280 nan 0.000 0.494 315 A N 2.717 125.599 122.820 0.103 0.000 1.933 315 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 315 A C 0.680 178.285 177.584 0.034 0.000 1.175 315 A CA 1.207 53.264 52.037 0.034 0.000 0.628 315 A CB -0.214 18.793 19.000 0.011 0.000 0.814 315 A HN 0.782 nan 8.150 nan 0.000 0.444 316 Q N -1.128 118.730 119.800 0.097 0.000 2.798 316 Q HA 0.410 4.750 4.340 -0.000 0.000 0.250 316 Q C 0.396 176.458 176.000 0.104 0.000 1.006 316 Q CA -0.143 55.715 55.803 0.091 0.000 0.759 316 Q CB 1.311 30.122 28.738 0.122 0.000 1.201 316 Q HN 0.115 nan 8.270 nan 0.000 0.486 317 V N 1.524 121.498 119.914 0.100 0.000 2.469 317 V HA -0.247 3.873 4.120 -0.000 0.000 0.251 317 V C 0.890 176.991 176.094 0.013 0.000 1.064 317 V CA 2.155 64.489 62.300 0.056 0.000 1.066 317 V CB 0.161 32.041 31.823 0.095 0.000 0.667 317 V HN 0.746 nan 8.190 nan 0.000 0.461 318 D N -0.446 120.008 120.400 0.090 0.000 2.378 318 D HA -0.085 4.555 4.640 -0.000 0.000 0.227 318 D C 1.004 177.382 176.300 0.130 0.000 1.012 318 D CA 0.744 54.807 54.000 0.105 0.000 0.905 318 D CB 0.031 40.960 40.800 0.214 0.000 0.895 318 D HN 0.512 nan 8.370 nan 0.000 0.532 319 D N 0.283 120.777 120.400 0.156 0.000 2.369 319 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 319 D C 0.437 176.810 176.300 0.122 0.000 1.077 319 D CA 0.157 54.308 54.000 0.252 0.000 0.842 319 D CB 0.509 41.518 40.800 0.348 0.000 0.947 319 D HN 0.051 nan 8.370 nan 0.000 0.509 320 Q N 0.782 120.544 119.800 -0.063 0.000 2.304 320 Q HA 0.196 4.536 4.340 -0.000 0.000 0.260 320 Q C -0.024 175.877 176.000 -0.165 0.000 0.965 320 Q CA -0.206 55.495 55.803 -0.170 0.000 0.898 320 Q CB 1.752 30.267 28.738 -0.373 0.000 1.196 320 Q HN -0.100 nan 8.270 nan 0.000 0.402 321 V N 3.619 123.443 119.914 -0.150 0.000 2.408 321 V HA 0.225 4.345 4.120 -0.000 0.000 0.267 321 V C 0.639 176.717 176.094 -0.026 0.000 1.047 321 V CA -0.380 61.806 62.300 -0.190 0.000 0.937 321 V CB 0.691 32.239 31.823 -0.459 0.000 0.999 321 V HN 0.879 nan 8.190 nan 0.000 0.472 322 T N 2.835 117.306 114.554 -0.138 0.000 2.934 322 T HA 0.887 5.237 4.350 -0.000 0.000 0.283 322 T C -0.660 174.132 174.700 0.155 0.000 1.005 322 T CA -0.511 61.451 62.100 -0.229 0.000 1.041 322 T CB 1.736 70.053 68.868 -0.918 0.000 1.042 322 T HN 0.675 nan 8.240 nan 0.000 0.505 323 F N -0.903 119.039 119.950 -0.013 0.000 2.807 323 F HA 0.516 5.043 4.527 -0.000 0.000 0.316 323 F C 0.119 176.002 175.800 0.138 0.000 1.162 323 F CA -1.436 56.597 58.000 0.055 0.000 0.910 323 F CB 0.582 39.602 39.000 0.034 0.000 1.314 323 F HN 0.608 nan 8.300 nan 0.000 0.454 324 I N -1.444 119.236 120.570 0.183 0.000 4.035 324 I HA 0.421 4.591 4.170 -0.000 0.000 0.321 324 I C -0.839 175.459 176.117 0.302 0.000 1.289 324 I CA 0.285 61.661 61.300 0.127 0.000 1.236 324 I CB 0.536 38.484 38.000 -0.087 0.000 1.076 324 I HN 0.667 nan 8.210 nan 0.000 0.418 325 D N 0.818 121.459 120.400 0.401 0.000 2.692 325 D HA 0.396 5.036 4.640 -0.000 0.000 0.290 325 D C -1.078 175.310 176.300 0.147 0.000 1.281 325 D CA -0.616 53.579 54.000 0.325 0.000 0.804 325 D CB 0.773 41.729 40.800 0.259 0.000 1.331 325 D HN 0.334 nan 8.370 nan 0.000 0.432 326 N N -2.587 115.974 118.700 -0.232 0.000 3.387 326 N HA 0.117 4.857 4.740 -0.000 0.000 0.294 326 N C 0.455 175.450 175.510 -0.859 0.000 1.519 326 N CA -0.535 52.099 53.050 -0.693 0.000 0.875 326 N CB -0.192 38.024 38.487 -0.452 0.000 1.657 326 N HN 0.565 nan 8.380 nan 0.000 0.527 327 H N -1.892 116.789 119.070 -0.648 0.000 2.567 327 H HA 0.175 4.731 4.556 -0.000 0.000 0.276 327 H C -0.679 174.625 175.328 -0.041 0.000 1.016 327 H CA 0.778 56.669 56.048 -0.262 0.000 1.186 327 H CB -0.264 29.600 29.762 0.170 0.000 1.351 327 H HN 0.489 nan 8.280 nan 0.000 0.605 328 D N 0.249 120.369 120.400 -0.466 0.000 2.431 328 D HA 0.247 4.886 4.640 -0.000 0.000 0.213 328 D C 0.265 176.593 176.300 0.046 0.000 1.130 328 D CA 0.087 53.989 54.000 -0.162 0.000 0.834 328 D CB 0.686 41.441 40.800 -0.075 0.000 0.985 328 D HN 0.342 nan 8.370 nan 0.000 0.504 329 M N 0.395 120.018 119.600 0.039 0.000 2.593 329 M HA 0.274 4.754 4.480 -0.000 0.000 0.290 329 M C -0.488 175.855 176.300 0.071 0.000 1.244 329 M CA -0.898 54.475 55.300 0.122 0.000 0.857 329 M CB 2.921 35.641 32.600 0.201 0.000 1.738 329 M HN -0.210 nan 8.290 nan 0.000 0.461 330 E N 1.447 121.692 120.200 0.076 0.000 2.404 330 E HA 0.270 4.620 4.350 -0.000 0.000 0.261 330 E C -0.776 175.880 176.600 0.095 0.000 1.074 330 E CA -0.522 55.915 56.400 0.061 0.000 0.917 330 E CB 0.505 30.226 29.700 0.035 0.000 0.965 330 E HN 0.455 nan 8.360 nan 0.000 0.433 331 R N 0.826 121.394 120.500 0.112 0.000 2.698 331 R HA -0.057 4.283 4.340 -0.000 0.000 0.266 331 R C 0.669 177.091 176.300 0.203 0.000 1.026 331 R CA -0.117 56.090 56.100 0.179 0.000 1.102 331 R CB 0.120 30.523 30.300 0.171 0.000 0.978 331 R HN 0.614 nan 8.270 nan 0.000 0.436 332 F N 1.719 121.750 119.950 0.135 0.000 2.102 332 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 332 F C 1.264 177.164 175.800 0.167 0.000 1.105 332 F CA 1.490 59.573 58.000 0.139 0.000 1.239 332 F CB -0.272 38.811 39.000 0.138 0.000 0.991 332 F HN 0.500 nan 8.300 nan 0.000 0.474 333 H N 0.785 120.073 119.070 0.363 0.000 2.955 333 H HA 0.462 5.018 4.556 -0.000 0.000 0.290 333 H C -0.460 174.941 175.328 0.122 0.000 1.047 333 H CA -0.438 55.769 56.048 0.265 0.000 1.484 333 H CB 0.246 30.185 29.762 0.296 0.000 1.501 333 H HN 0.251 nan 8.280 nan 0.000 0.521 334 A N 3.936 126.484 122.820 -0.454 0.000 2.301 334 A HA 0.291 4.611 4.320 -0.000 0.000 0.312 334 A C 1.522 178.781 177.584 -0.542 0.000 1.182 334 A CA -0.061 51.763 52.037 -0.356 0.000 0.826 334 A CB 0.874 19.745 19.000 -0.214 0.000 1.134 334 A HN 0.863 nan 8.150 nan 0.000 0.501 335 S N 1.252 116.785 115.700 -0.279 0.000 2.400 335 S HA -0.183 4.287 4.470 -0.000 0.000 0.234 335 S C 1.444 175.969 174.600 -0.124 0.000 1.049 335 S CA 2.097 60.199 58.200 -0.163 0.000 1.039 335 S CB -0.386 62.776 63.200 -0.064 0.000 0.856 335 S HN 0.895 nan 8.310 nan 0.000 0.465 336 N N 0.304 118.929 118.700 -0.125 0.000 2.320 336 N HA 0.348 5.088 4.740 -0.000 0.000 0.237 336 N C -0.284 175.194 175.510 -0.053 0.000 1.129 336 N CA 0.080 53.093 53.050 -0.061 0.000 0.854 336 N CB 0.260 38.717 38.487 -0.050 0.000 1.083 336 N HN 0.274 nan 8.380 nan 0.000 0.504 337 A N 0.609 123.368 122.820 -0.100 0.000 2.299 337 A HA 0.372 4.691 4.320 -0.000 0.000 0.332 337 A C 0.080 177.755 177.584 0.152 0.000 1.131 337 A CA -0.721 51.315 52.037 -0.003 0.000 0.844 337 A CB 0.810 19.771 19.000 -0.066 0.000 1.251 337 A HN 0.221 nan 8.150 nan 0.000 0.486 338 N N 0.104 118.886 118.700 0.138 0.000 2.468 338 N HA 0.024 4.764 4.740 -0.000 0.000 0.265 338 N C 0.986 176.630 175.510 0.224 0.000 1.199 338 N CA 0.179 53.315 53.050 0.145 0.000 0.928 338 N CB 0.556 39.109 38.487 0.109 0.000 1.059 338 N HN 0.612 nan 8.380 nan 0.000 0.467 339 R N 2.315 122.896 120.500 0.135 0.000 2.152 339 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 339 R C 1.632 178.030 176.300 0.163 0.000 1.117 339 R CA 0.916 57.059 56.100 0.071 0.000 0.981 339 R CB -0.029 30.121 30.300 -0.249 0.000 0.870 339 R HN 0.492 nan 8.270 nan 0.000 0.451 340 R N 1.757 122.337 120.500 0.134 0.000 2.139 340 R HA -0.130 4.210 4.340 -0.000 0.000 0.243 340 R C 1.515 177.921 176.300 0.177 0.000 1.145 340 R CA 1.620 57.801 56.100 0.135 0.000 0.976 340 R CB -0.089 30.275 30.300 0.107 0.000 0.866 340 R HN 0.113 nan 8.270 nan 0.000 0.449 341 K N 0.132 120.685 120.400 0.254 0.000 2.009 341 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 341 K C 2.126 178.932 176.600 0.343 0.000 1.049 341 K CA 1.732 58.236 56.287 0.362 0.000 0.929 341 K CB -0.530 32.239 32.500 0.447 0.000 0.714 341 K HN 0.282 nan 8.250 nan 0.000 0.440 342 L N 1.876 123.326 121.223 0.378 0.000 2.012 342 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 342 L C 2.161 178.955 176.870 -0.126 0.000 1.073 342 L CA 1.614 56.471 54.840 0.029 0.000 0.748 342 L CB -0.186 41.994 42.059 0.201 0.000 0.891 342 L HN 0.196 nan 8.230 nan 0.000 0.431 343 E N -0.619 119.589 120.200 0.014 0.000 2.085 343 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 343 E C 2.203 178.750 176.600 -0.088 0.000 0.994 343 E CA 1.671 58.059 56.400 -0.020 0.000 0.801 343 E CB -0.177 29.560 29.700 0.062 0.000 0.743 343 E HN 0.653 nan 8.360 nan 0.000 0.453 344 Q N 0.164 119.910 119.800 -0.090 0.000 2.046 344 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 344 Q C 2.368 178.100 176.000 -0.448 0.000 0.975 344 Q CA 1.224 56.924 55.803 -0.173 0.000 0.836 344 Q CB -0.190 28.516 28.738 -0.054 0.000 0.896 344 Q HN 0.269 nan 8.270 nan 0.000 0.428 345 A N 0.999 123.434 122.820 -0.641 0.000 1.933 345 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 345 A C 2.086 179.452 177.584 -0.363 0.000 1.175 345 A CA 1.050 52.635 52.037 -0.754 0.000 0.628 345 A CB -0.665 17.821 19.000 -0.856 0.000 0.814 345 A HN 0.271 nan 8.150 nan 0.000 0.444 346 L N -0.943 120.096 121.223 -0.306 0.000 2.017 346 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 346 L C 3.150 179.957 176.870 -0.105 0.000 1.073 346 L CA 1.154 55.888 54.840 -0.176 0.000 0.745 346 L CB -0.557 41.408 42.059 -0.158 0.000 0.894 346 L HN 0.452 nan 8.230 nan 0.000 0.432 347 A N -0.358 122.401 122.820 -0.100 0.000 1.940 347 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 347 A C 2.147 179.736 177.584 0.008 0.000 1.176 347 A CA 1.643 53.647 52.037 -0.055 0.000 0.631 347 A CB -0.863 18.105 19.000 -0.052 0.000 0.814 347 A HN 0.419 nan 8.150 nan 0.000 0.446 348 F N 1.419 121.296 119.950 -0.121 0.000 2.069 348 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 348 F C 2.512 178.360 175.800 0.080 0.000 1.113 348 F CA 2.394 60.388 58.000 -0.010 0.000 1.214 348 F CB -0.760 38.127 39.000 -0.187 0.000 0.978 348 F HN 0.217 nan 8.300 nan 0.000 0.474 349 T N 1.673 116.244 114.554 0.029 0.000 2.684 349 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 349 T C 2.150 176.787 174.700 -0.106 0.000 1.036 349 T CA 1.900 64.022 62.100 0.038 0.000 1.148 349 T CB -0.662 68.277 68.868 0.118 0.000 0.863 349 T HN 0.255 nan 8.240 nan 0.000 0.436 350 L N 1.246 122.414 121.223 -0.090 0.000 2.131 350 L HA -0.080 4.259 4.340 -0.000 0.000 0.210 350 L C 2.704 179.502 176.870 -0.121 0.000 1.092 350 L CA 1.502 56.278 54.840 -0.106 0.000 0.759 350 L CB -0.910 41.092 42.059 -0.094 0.000 0.903 350 L HN 0.453 nan 8.230 nan 0.000 0.435 351 T N -5.573 108.918 114.554 -0.106 0.000 3.069 351 T HA 0.167 4.517 4.350 -0.000 0.000 0.252 351 T C 0.784 175.460 174.700 -0.041 0.000 1.053 351 T CA -0.276 61.785 62.100 -0.066 0.000 0.964 351 T CB 0.278 69.129 68.868 -0.029 0.000 1.005 351 T HN -0.005 nan 8.240 nan 0.000 0.532 352 S N 2.275 117.867 115.700 -0.180 0.000 2.672 352 S HA 0.560 5.030 4.470 -0.000 0.000 0.276 352 S C 0.402 174.881 174.600 -0.202 0.000 1.207 352 S CA -1.032 57.023 58.200 -0.242 0.000 1.002 352 S CB 0.843 63.795 63.200 -0.414 0.000 0.998 352 S HN 0.615 nan 8.310 nan 0.000 0.542 353 R N 0.947 121.352 120.500 -0.158 0.000 2.679 353 R HA 0.525 4.865 4.340 -0.000 0.000 0.268 353 R C 0.494 176.657 176.300 -0.227 0.000 1.044 353 R CA 0.597 56.617 56.100 -0.134 0.000 1.105 353 R CB -1.224 29.047 30.300 -0.048 0.000 0.989 353 R HN 0.909 nan 8.270 nan 0.000 0.447 354 G N 0.173 108.865 108.800 -0.179 0.000 2.396 354 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.254 354 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.254 354 G C -1.589 173.186 174.900 -0.207 0.000 1.248 354 G CA -0.371 44.606 45.100 -0.205 0.000 1.033 354 G HN 0.655 nan 8.290 nan 0.000 0.502 355 V N 2.632 122.418 119.914 -0.213 0.000 2.349 355 V HA 0.548 4.668 4.120 -0.000 0.000 0.284 355 V C -2.036 173.951 176.094 -0.179 0.000 1.014 355 V CA -1.119 61.061 62.300 -0.200 0.000 0.826 355 V CB 1.729 33.422 31.823 -0.217 0.000 1.009 355 V HN 0.650 nan 8.190 nan 0.000 0.431 356 P HA 0.474 nan 4.420 nan 0.000 0.275 356 P C -0.751 176.558 177.300 0.015 0.000 1.227 356 P CA -0.133 62.914 63.100 -0.088 0.000 0.781 356 P CB 1.333 32.980 31.700 -0.088 0.000 0.906 357 A N 3.587 126.468 122.820 0.103 0.000 2.374 357 A HA 0.687 5.007 4.320 -0.000 0.000 0.305 357 A C -0.700 176.997 177.584 0.188 0.000 1.053 357 A CA -0.741 51.417 52.037 0.201 0.000 0.726 357 A CB 0.730 19.929 19.000 0.332 0.000 1.229 357 A HN 0.440 nan 8.150 nan 0.000 0.431 358 I N 2.638 123.295 120.570 0.146 0.000 2.362 358 I HA 0.198 4.368 4.170 -0.000 0.000 0.289 358 I C -0.785 175.330 176.117 -0.003 0.000 0.994 358 I CA -0.679 60.674 61.300 0.088 0.000 1.158 358 I CB 1.225 39.285 38.000 0.101 0.000 1.315 358 I HN 0.720 nan 8.210 nan 0.000 0.451 359 Y N 8.586 128.811 120.300 -0.124 0.000 2.442 359 Y HA 0.047 4.597 4.550 -0.000 0.000 0.330 359 Y C 0.082 175.771 175.900 -0.352 0.000 1.129 359 Y CA -1.015 56.960 58.100 -0.209 0.000 1.365 359 Y CB 0.109 38.492 38.460 -0.127 0.000 1.233 359 Y HN 0.453 nan 8.280 nan 0.000 0.529 360 Y N 3.882 123.739 120.300 -0.738 0.000 2.904 360 Y HA 0.298 4.848 4.550 -0.000 0.000 0.336 360 Y C 1.131 176.840 175.900 -0.318 0.000 1.263 360 Y CA -0.132 57.560 58.100 -0.681 0.000 1.547 360 Y CB -0.004 38.198 38.460 -0.430 0.000 1.272 360 Y HN 0.918 nan 8.280 nan 0.000 0.596 361 G N 1.965 110.767 108.800 0.004 0.000 2.253 361 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.251 361 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.251 361 G C 0.907 175.746 174.900 -0.102 0.000 0.998 361 G CA 0.476 45.528 45.100 -0.081 0.000 0.621 361 G HN 0.862 nan 8.290 nan 0.000 0.524 362 T N 1.842 116.320 114.554 -0.126 0.000 2.665 362 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 362 T C 2.111 176.698 174.700 -0.189 0.000 1.035 362 T CA 2.016 64.056 62.100 -0.099 0.000 1.151 362 T CB -0.301 68.535 68.868 -0.053 0.000 0.862 362 T HN 0.813 nan 8.240 nan 0.000 0.438 363 E N 1.057 121.206 120.200 -0.085 0.000 2.472 363 E HA -0.146 4.204 4.350 -0.000 0.000 0.200 363 E C 1.319 177.815 176.600 -0.174 0.000 1.046 363 E CA 0.800 57.118 56.400 -0.136 0.000 0.871 363 E CB -0.137 29.612 29.700 0.082 0.000 0.806 363 E HN 0.438 nan 8.360 nan 0.000 0.533 364 Q N -0.298 119.445 119.800 -0.094 0.000 2.247 364 Q HA 0.059 4.399 4.340 -0.000 0.000 0.211 364 Q C -0.409 175.646 176.000 0.092 0.000 0.861 364 Q CA -0.261 55.562 55.803 0.034 0.000 0.949 364 Q CB -0.133 28.654 28.738 0.081 0.000 1.115 364 Q HN 0.366 nan 8.270 nan 0.000 0.507 365 Y N -0.968 119.335 120.300 0.005 0.000 3.568 365 Y HA -0.251 4.299 4.550 -0.000 0.000 0.220 365 Y C 0.225 176.174 175.900 0.082 0.000 1.319 365 Y CA 0.092 58.168 58.100 -0.040 0.000 1.629 365 Y CB -2.642 35.706 38.460 -0.187 0.000 1.515 365 Y HN 0.162 nan 8.280 nan 0.000 0.613 366 M N 0.121 119.801 119.600 0.133 0.000 2.238 366 M HA 0.277 4.757 4.480 -0.000 0.000 0.347 366 M C 0.701 177.104 176.300 0.171 0.000 1.173 366 M CA 0.732 56.094 55.300 0.104 0.000 1.147 366 M CB 0.702 33.283 32.600 -0.031 0.000 1.547 366 M HN 0.284 nan 8.290 nan 0.000 0.455 367 S N 0.587 116.370 115.700 0.139 0.000 2.621 367 S HA 0.945 5.415 4.470 -0.000 0.000 0.302 367 S C -0.172 174.463 174.600 0.058 0.000 1.093 367 S CA -0.646 57.618 58.200 0.108 0.000 1.017 367 S CB 2.137 65.379 63.200 0.070 0.000 1.077 367 S HN 0.938 nan 8.310 nan 0.000 0.517 368 G N -0.215 108.611 108.800 0.043 0.000 2.386 368 G HA2 0.479 4.439 3.960 -0.000 0.000 0.302 368 G HA3 0.479 4.439 3.960 -0.000 0.000 0.302 368 G C -0.393 174.525 174.900 0.029 0.000 1.629 368 G CA -0.241 44.878 45.100 0.031 0.000 0.917 368 G HN 0.907 nan 8.290 nan 0.000 0.676 369 G N -0.632 108.178 108.800 0.017 0.000 2.630 369 G HA2 0.774 4.734 3.960 -0.000 0.000 0.223 369 G HA3 0.774 4.734 3.960 -0.000 0.000 0.223 369 G C 0.884 175.795 174.900 0.019 0.000 1.434 369 G CA 0.662 45.770 45.100 0.014 0.000 1.057 369 G HN 1.581 nan 8.290 nan 0.000 0.570 370 T N -1.458 113.102 114.554 0.009 0.000 2.726 370 T HA 0.252 4.602 4.350 -0.000 0.000 0.294 370 T C 0.205 174.908 174.700 0.006 0.000 1.013 370 T CA -0.052 62.052 62.100 0.005 0.000 0.996 370 T CB 0.760 69.623 68.868 -0.009 0.000 1.016 370 T HN 0.458 nan 8.240 nan 0.000 0.529 371 D N 1.841 122.244 120.400 0.005 0.000 2.658 371 D HA 0.018 4.658 4.640 -0.000 0.000 0.230 371 D C -1.135 175.177 176.300 0.020 0.000 1.118 371 D CA -1.343 52.670 54.000 0.022 0.000 0.848 371 D CB 0.574 41.384 40.800 0.016 0.000 1.160 371 D HN 0.391 nan 8.370 nan 0.000 0.497 372 P HA 0.122 nan 4.420 nan 0.000 0.262 372 P C 0.161 177.473 177.300 0.019 0.000 1.304 372 P CA -0.122 63.009 63.100 0.052 0.000 0.859 372 P CB 0.483 32.211 31.700 0.045 0.000 1.310 373 D N 1.417 121.825 120.400 0.013 0.000 2.263 373 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 373 D C 1.009 177.321 176.300 0.019 0.000 0.971 373 D CA 1.026 55.032 54.000 0.009 0.000 0.867 373 D CB -0.339 40.465 40.800 0.007 0.000 0.929 373 D HN 0.371 nan 8.370 nan 0.000 0.492 374 N N 0.157 118.878 118.700 0.035 0.000 2.383 374 N HA -0.013 4.727 4.740 -0.000 0.000 0.192 374 N C 0.548 176.106 175.510 0.080 0.000 1.141 374 N CA 0.087 53.183 53.050 0.076 0.000 0.851 374 N CB 0.020 38.569 38.487 0.104 0.000 0.976 374 N HN -0.025 nan 8.380 nan 0.000 0.465 375 R N -0.052 120.457 120.500 0.015 0.000 2.652 375 R HA 0.449 4.789 4.340 -0.000 0.000 0.372 375 R C -0.017 176.312 176.300 0.048 0.000 1.104 375 R CA -0.228 55.861 56.100 -0.018 0.000 1.072 375 R CB 0.580 30.781 30.300 -0.164 0.000 1.367 375 R HN 0.219 nan 8.270 nan 0.000 0.577 376 A N 0.695 123.538 122.820 0.040 0.000 2.310 376 A HA 0.266 4.586 4.320 -0.000 0.000 0.260 376 A C -0.033 177.619 177.584 0.114 0.000 1.112 376 A CA -0.324 51.734 52.037 0.034 0.000 0.804 376 A CB 0.282 19.286 19.000 0.006 0.000 1.081 376 A HN 0.358 nan 8.150 nan 0.000 0.499 377 R N 0.117 120.653 120.500 0.059 0.000 2.438 377 R HA 0.264 4.604 4.340 -0.000 0.000 0.287 377 R C -0.072 176.263 176.300 0.058 0.000 1.077 377 R CA -0.293 55.849 56.100 0.070 0.000 1.034 377 R CB 0.205 30.502 30.300 -0.004 0.000 0.993 377 R HN 0.695 nan 8.270 nan 0.000 0.459 378 I N 7.415 128.040 120.570 0.093 0.000 2.742 378 I HA 0.010 4.180 4.170 -0.000 0.000 0.287 378 I C -1.471 174.501 176.117 -0.242 0.000 1.186 378 I CA -1.395 59.889 61.300 -0.028 0.000 1.417 378 I CB 1.143 39.156 38.000 0.022 0.000 1.377 378 I HN 0.675 nan 8.210 nan 0.000 0.556 379 P HA 0.014 nan 4.420 nan 0.000 0.227 379 P C -0.351 176.760 177.300 -0.315 0.000 1.161 379 P CA 0.506 63.484 63.100 -0.202 0.000 0.788 379 P CB 0.154 31.794 31.700 -0.101 0.000 0.822 380 S N -1.646 113.777 115.700 -0.462 0.000 2.567 380 S HA 0.486 4.956 4.470 -0.000 0.000 0.270 380 S C -1.251 172.924 174.600 -0.709 0.000 1.152 380 S CA -0.729 57.161 58.200 -0.517 0.000 0.835 380 S CB 0.063 63.140 63.200 -0.205 0.000 1.115 380 S HN -0.200 nan 8.310 nan 0.000 0.459 381 F N 1.800 121.613 119.950 -0.229 0.000 2.942 381 F HA 0.511 5.038 4.527 0.000 0.000 0.324 381 F C 1.049 176.825 175.800 -0.040 0.000 1.265 381 F CA -0.594 57.150 58.000 -0.427 0.000 1.255 381 F CB 0.686 39.313 39.000 -0.621 0.000 1.048 381 F HN 0.628 nan 8.300 nan 0.000 0.512 382 S N 0.289 116.077 115.700 0.146 0.000 2.537 382 S HA 0.253 4.723 4.470 -0.000 0.000 0.275 382 S C 1.210 175.781 174.600 -0.049 0.000 1.272 382 S CA -0.079 58.161 58.200 0.067 0.000 1.050 382 S CB 0.694 63.913 63.200 0.032 0.000 0.961 382 S HN 0.489 nan 8.310 nan 0.000 0.496 383 T N 1.336 115.711 114.554 -0.298 0.000 3.163 383 T HA 0.207 4.557 4.350 -0.000 0.000 0.252 383 T C 0.830 175.233 174.700 -0.495 0.000 1.056 383 T CA -0.123 61.405 62.100 -0.954 0.000 0.947 383 T CB -0.085 68.269 68.868 -0.857 0.000 1.016 383 T HN 0.388 nan 8.240 nan 0.000 0.554 384 S N 1.909 117.498 115.700 -0.185 0.000 2.556 384 S HA 0.153 4.623 4.470 -0.000 0.000 0.216 384 S C 1.104 175.726 174.600 0.038 0.000 0.970 384 S CA -0.104 58.063 58.200 -0.054 0.000 0.912 384 S CB -0.001 63.185 63.200 -0.023 0.000 0.790 384 S HN 0.878 nan 8.310 nan 0.000 0.504 385 T N -0.145 114.465 114.554 0.093 0.000 2.868 385 T HA 0.169 4.519 4.350 -0.000 0.000 0.292 385 T C 1.381 176.204 174.700 0.206 0.000 1.028 385 T CA -0.165 62.059 62.100 0.206 0.000 1.059 385 T CB 0.787 69.838 68.868 0.305 0.000 0.991 385 T HN 0.008 nan 8.240 nan 0.000 0.531 386 T N 1.953 116.647 114.554 0.234 0.000 2.746 386 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 386 T C 2.420 177.213 174.700 0.155 0.000 1.039 386 T CA 1.434 63.642 62.100 0.181 0.000 1.142 386 T CB -0.857 68.115 68.868 0.174 0.000 0.866 386 T HN 0.828 nan 8.240 nan 0.000 0.444 387 A N 0.679 123.589 122.820 0.150 0.000 1.908 387 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 387 A C 2.099 179.682 177.584 -0.000 0.000 1.181 387 A CA 1.732 53.741 52.037 -0.046 0.000 0.627 387 A CB -1.099 17.657 19.000 -0.407 0.000 0.818 387 A HN 0.588 nan 8.150 nan 0.000 0.445 388 Y N 0.651 120.917 120.300 -0.057 0.000 2.165 388 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 388 Y C 2.467 178.338 175.900 -0.048 0.000 1.155 388 Y CA 2.296 60.366 58.100 -0.050 0.000 1.164 388 Y CB -0.344 38.106 38.460 -0.017 0.000 0.978 388 Y HN 0.462 nan 8.280 nan 0.000 0.513 389 Q N -1.136 118.791 119.800 0.213 0.000 2.230 389 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 389 Q C 2.333 178.342 176.000 0.014 0.000 0.963 389 Q CA 1.384 57.261 55.803 0.123 0.000 0.866 389 Q CB -0.126 28.682 28.738 0.118 0.000 0.931 389 Q HN 0.382 nan 8.270 nan 0.000 0.452 390 V N 1.326 121.237 119.914 -0.004 0.000 2.295 390 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 390 V C 2.146 178.189 176.094 -0.085 0.000 1.049 390 V CA 1.656 63.931 62.300 -0.042 0.000 1.024 390 V CB -0.430 31.367 31.823 -0.043 0.000 0.648 390 V HN 0.346 nan 8.190 nan 0.000 0.447 391 I N -0.076 120.420 120.570 -0.123 0.000 2.226 391 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 391 I C 2.650 178.657 176.117 -0.184 0.000 1.100 391 I CA 1.989 63.190 61.300 -0.166 0.000 1.374 391 I CB -0.486 37.381 38.000 -0.222 0.000 1.057 391 I HN 0.421 nan 8.210 nan 0.000 0.413 392 Q N 1.431 121.107 119.800 -0.207 0.000 2.170 392 Q HA -0.205 4.135 4.340 -0.000 0.000 0.203 392 Q C 1.988 177.928 176.000 -0.100 0.000 0.976 392 Q CA 1.399 57.101 55.803 -0.169 0.000 0.858 392 Q CB 0.150 28.817 28.738 -0.117 0.000 0.907 392 Q HN 0.390 nan 8.270 nan 0.000 0.433 393 K N -0.105 120.248 120.400 -0.079 0.000 2.262 393 K HA 0.054 4.374 4.320 -0.000 0.000 0.200 393 K C 1.956 178.506 176.600 -0.082 0.000 1.049 393 K CA 0.470 56.717 56.287 -0.067 0.000 0.979 393 K CB 0.340 32.808 32.500 -0.055 0.000 0.773 393 K HN 0.328 nan 8.250 nan 0.000 0.474 394 L N -0.120 121.046 121.223 -0.096 0.000 2.357 394 L HA 0.111 4.451 4.340 -0.000 0.000 0.211 394 L C 2.443 179.247 176.870 -0.110 0.000 1.075 394 L CA 0.359 55.139 54.840 -0.101 0.000 0.830 394 L CB -0.394 41.605 42.059 -0.100 0.000 0.996 394 L HN -0.011 nan 8.230 nan 0.000 0.467 395 A N 1.339 124.089 122.820 -0.117 0.000 1.908 395 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 395 A C -0.249 177.260 177.584 -0.124 0.000 1.181 395 A CA 1.678 53.642 52.037 -0.121 0.000 0.627 395 A CB -1.790 17.133 19.000 -0.128 0.000 0.818 395 A HN 0.262 nan 8.150 nan 0.000 0.445 396 P HA -0.094 nan 4.420 nan 0.000 0.222 396 P C 1.214 178.445 177.300 -0.115 0.000 1.147 396 P CA 0.724 63.757 63.100 -0.111 0.000 0.790 396 P CB -0.215 31.428 31.700 -0.094 0.000 0.780 397 L N -1.061 120.094 121.223 -0.113 0.000 2.275 397 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 397 L C 2.499 179.281 176.870 -0.146 0.000 1.119 397 L CA 1.052 55.824 54.840 -0.114 0.000 0.790 397 L CB -0.659 41.338 42.059 -0.104 0.000 0.919 397 L HN -0.042 nan 8.230 nan 0.000 0.443 398 R N 0.033 120.433 120.500 -0.167 0.000 2.189 398 R HA -0.080 4.260 4.340 -0.000 0.000 0.223 398 R C 2.059 178.211 176.300 -0.247 0.000 1.092 398 R CA 0.673 56.640 56.100 -0.222 0.000 0.989 398 R CB -0.013 30.151 30.300 -0.226 0.000 0.876 398 R HN 0.300 nan 8.270 nan 0.000 0.457 399 K N 0.116 120.398 120.400 -0.197 0.000 2.166 399 K HA -0.021 4.299 4.320 -0.000 0.000 0.201 399 K C 2.119 178.624 176.600 -0.159 0.000 1.052 399 K CA 1.113 57.288 56.287 -0.187 0.000 0.969 399 K CB 0.071 32.479 32.500 -0.154 0.000 0.761 399 K HN 0.334 nan 8.250 nan 0.000 0.459 400 C N 0.160 119.379 119.300 -0.135 0.000 2.799 400 C HA 0.301 4.761 4.460 -0.000 0.000 0.267 400 C C 0.610 175.538 174.990 -0.103 0.000 1.257 400 C CA -0.730 58.223 59.018 -0.109 0.000 1.702 400 C CB -0.824 26.863 27.740 -0.088 0.000 1.934 400 C HN 0.113 nan 8.230 nan 0.000 0.594 401 N N 1.659 120.286 118.700 -0.121 0.000 2.573 401 N HA 0.355 5.095 4.740 -0.000 0.000 0.262 401 N C -2.132 173.294 175.510 -0.141 0.000 1.029 401 N CA -1.789 51.203 53.050 -0.098 0.000 0.882 401 N CB 1.797 40.237 38.487 -0.077 0.000 1.204 401 N HN 0.049 nan 8.380 nan 0.000 0.519 402 P HA -0.048 nan 4.420 nan 0.000 0.225 402 P C 0.940 178.135 177.300 -0.175 0.000 1.148 402 P CA 0.641 63.605 63.100 -0.226 0.000 0.779 402 P CB 0.299 31.960 31.700 -0.065 0.000 0.780 403 A N -0.284 122.547 122.820 0.018 0.000 1.933 403 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 403 A C 2.211 179.785 177.584 -0.016 0.000 1.175 403 A CA 1.341 53.434 52.037 0.095 0.000 0.628 403 A CB -1.480 17.591 19.000 0.117 0.000 0.814 403 A HN 0.158 nan 8.150 nan 0.000 0.444 404 I N -0.691 119.818 120.570 -0.103 0.000 2.286 404 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 404 I C 2.881 178.850 176.117 -0.246 0.000 1.104 404 I CA 0.964 62.180 61.300 -0.139 0.000 1.397 404 I CB -0.165 37.753 38.000 -0.137 0.000 1.072 404 I HN 0.331 nan 8.210 nan 0.000 0.417 405 A N -0.167 122.392 122.820 -0.434 0.000 1.929 405 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 405 A C 1.480 178.652 177.584 -0.687 0.000 1.176 405 A CA 1.534 53.151 52.037 -0.700 0.000 0.628 405 A CB -0.388 17.945 19.000 -1.112 0.000 0.816 405 A HN 0.508 nan 8.150 nan 0.000 0.444 406 Y N -1.243 118.885 120.300 -0.288 0.000 2.563 406 Y HA 0.378 4.928 4.550 -0.000 0.000 0.250 406 Y C 1.389 177.284 175.900 -0.008 0.000 1.126 406 Y CA -0.910 57.043 58.100 -0.245 0.000 1.231 406 Y CB -0.505 37.535 38.460 -0.700 0.000 1.288 406 Y HN 0.229 nan 8.280 nan 0.000 0.537 407 G N 0.714 109.615 108.800 0.168 0.000 2.580 407 G HA2 0.384 4.344 3.960 -0.000 0.000 0.278 407 G HA3 0.384 4.344 3.960 -0.000 0.000 0.278 407 G C 0.248 175.268 174.900 0.200 0.000 1.212 407 G CA -0.177 45.091 45.100 0.281 0.000 0.939 407 G HN 0.212 nan 8.290 nan 0.000 0.513 408 S N -1.324 114.492 115.700 0.193 0.000 2.617 408 S HA 0.537 5.007 4.470 -0.000 0.000 0.259 408 S C -0.015 174.666 174.600 0.135 0.000 1.301 408 S CA -0.272 58.014 58.200 0.143 0.000 0.984 408 S CB 1.265 64.538 63.200 0.123 0.000 0.954 408 S HN 0.562 nan 8.310 nan 0.000 0.572 409 T N 1.437 116.064 114.554 0.122 0.000 2.848 409 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 409 T C -1.032 173.753 174.700 0.142 0.000 0.995 409 T CA -0.525 61.661 62.100 0.143 0.000 0.970 409 T CB 1.410 70.337 68.868 0.097 0.000 0.976 409 T HN 0.654 nan 8.240 nan 0.000 0.441 410 Q N 1.953 121.863 119.800 0.183 0.000 2.305 410 Q HA 0.250 4.590 4.340 -0.000 0.000 0.271 410 Q C -1.121 174.999 176.000 0.200 0.000 1.046 410 Q CA -0.666 55.232 55.803 0.158 0.000 0.798 410 Q CB 2.000 30.818 28.738 0.133 0.000 1.286 410 Q HN 0.638 nan 8.270 nan 0.000 0.435 411 E N 3.435 123.736 120.200 0.169 0.000 2.290 411 E HA 0.064 4.414 4.350 -0.000 0.000 0.277 411 E C -0.185 176.522 176.600 0.179 0.000 1.035 411 E CA 0.113 56.627 56.400 0.190 0.000 0.873 411 E CB 0.623 30.398 29.700 0.125 0.000 1.029 411 E HN 0.591 nan 8.360 nan 0.000 0.419 412 R N 3.566 124.203 120.500 0.229 0.000 2.373 412 R HA 0.142 4.482 4.340 -0.000 0.000 0.221 412 R C -0.121 176.368 176.300 0.315 0.000 0.893 412 R CA -0.010 56.224 56.100 0.224 0.000 1.049 412 R CB 0.491 30.921 30.300 0.216 0.000 1.119 412 R HN 0.547 nan 8.270 nan 0.000 0.535 413 W N 0.460 121.816 121.300 0.093 0.000 3.800 413 W HA 0.568 5.228 4.660 -0.000 0.000 0.299 413 W C -1.746 174.795 176.519 0.037 0.000 1.231 413 W CA -0.607 56.777 57.345 0.065 0.000 1.232 413 W CB 1.249 30.753 29.460 0.073 0.000 1.291 413 W HN -0.135 nan 8.180 nan 0.000 0.514 414 I N 6.203 126.688 120.570 -0.142 0.000 2.841 414 I HA 0.506 4.676 4.170 -0.000 0.000 0.298 414 I C -1.322 174.569 176.117 -0.377 0.000 1.304 414 I CA -0.506 60.712 61.300 -0.137 0.000 1.019 414 I CB 1.705 39.564 38.000 -0.234 0.000 1.282 414 I HN 0.640 nan 8.210 nan 0.000 0.432 415 N N 3.255 121.832 118.700 -0.206 0.000 3.506 415 N HA 0.307 5.047 4.740 -0.000 0.000 0.331 415 N C -0.605 174.828 175.510 -0.129 0.000 1.631 415 N CA -0.574 52.416 53.050 -0.099 0.000 0.786 415 N CB 0.306 38.819 38.487 0.043 0.000 2.023 415 N HN 0.593 nan 8.380 nan 0.000 0.621 416 N N -1.122 117.633 118.700 0.093 0.000 2.244 416 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 416 N C -0.279 175.208 175.510 -0.038 0.000 1.016 416 N CA 1.107 54.205 53.050 0.079 0.000 0.866 416 N CB 0.014 38.563 38.487 0.104 0.000 0.980 416 N HN 0.465 nan 8.380 nan 0.000 0.430 417 D N -0.322 120.073 120.400 -0.008 0.000 2.423 417 D HA 0.118 4.758 4.640 -0.000 0.000 0.208 417 D C -0.159 176.138 176.300 -0.005 0.000 1.068 417 D CA 0.301 54.286 54.000 -0.024 0.000 0.860 417 D CB 1.063 41.874 40.800 0.018 0.000 0.992 417 D HN -0.080 nan 8.370 nan 0.000 0.504 418 V N 1.737 121.688 119.914 0.061 0.000 2.555 418 V HA 0.444 4.564 4.120 -0.000 0.000 0.302 418 V C -0.710 175.475 176.094 0.151 0.000 1.038 418 V CA -0.862 61.522 62.300 0.139 0.000 0.887 418 V CB 2.592 34.569 31.823 0.256 0.000 0.991 418 V HN -0.069 nan 8.190 nan 0.000 0.434 419 L N 6.144 127.481 121.223 0.190 0.000 2.438 419 L HA 0.677 5.017 4.340 -0.000 0.000 0.270 419 L C -1.027 176.055 176.870 0.353 0.000 0.972 419 L CA 0.049 55.037 54.840 0.247 0.000 0.831 419 L CB 1.661 43.834 42.059 0.191 0.000 1.273 419 L HN 0.569 nan 8.230 nan 0.000 0.405 420 I N 6.292 127.088 120.570 0.378 0.000 2.382 420 I HA 0.385 4.555 4.170 -0.000 0.000 0.285 420 I C -1.149 175.179 176.117 0.352 0.000 1.007 420 I CA -0.727 60.768 61.300 0.325 0.000 1.142 420 I CB 1.016 39.213 38.000 0.328 0.000 1.289 420 I HN 0.617 nan 8.210 nan 0.000 0.453 421 Y N 3.206 123.627 120.300 0.202 0.000 2.570 421 Y HA 0.760 5.310 4.550 -0.000 0.000 0.345 421 Y C -0.655 175.327 175.900 0.137 0.000 1.014 421 Y CA -1.391 56.808 58.100 0.166 0.000 1.063 421 Y CB 1.184 39.743 38.460 0.164 0.000 1.272 421 Y HN 0.532 nan 8.280 nan 0.000 0.477 422 E N 2.379 122.725 120.200 0.243 0.000 2.222 422 E HA 0.497 4.847 4.350 -0.000 0.000 0.267 422 E C -1.173 175.536 176.600 0.181 0.000 0.884 422 E CA -1.131 55.349 56.400 0.135 0.000 0.764 422 E CB 1.112 30.881 29.700 0.114 0.000 1.169 422 E HN 0.620 nan 8.360 nan 0.000 0.413 423 R N 3.287 123.870 120.500 0.139 0.000 2.407 423 R HA 0.464 4.804 4.340 -0.000 0.000 0.303 423 R C -0.768 175.609 176.300 0.129 0.000 0.981 423 R CA -0.638 55.547 56.100 0.141 0.000 0.905 423 R CB 1.323 31.686 30.300 0.105 0.000 1.099 423 R HN 0.532 nan 8.270 nan 0.000 0.459 424 K N 2.055 122.548 120.400 0.156 0.000 2.513 424 K HA 0.471 4.791 4.320 -0.000 0.000 0.251 424 K C -1.832 174.920 176.600 0.253 0.000 0.939 424 K CA -0.582 55.804 56.287 0.166 0.000 0.793 424 K CB 1.472 34.046 32.500 0.123 0.000 1.241 424 K HN 0.434 nan 8.250 nan 0.000 0.431 425 F N 3.961 123.956 119.950 0.074 0.000 2.787 425 F HA 0.442 4.969 4.527 -0.000 0.000 0.340 425 F C 0.177 176.014 175.800 0.061 0.000 1.232 425 F CA 0.685 58.733 58.000 0.081 0.000 1.051 425 F CB 1.204 40.277 39.000 0.121 0.000 1.330 425 F HN 0.807 nan 8.300 nan 0.000 0.522 426 G N 3.438 112.024 108.800 -0.355 0.000 2.550 426 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.277 426 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.277 426 G C 0.123 175.009 174.900 -0.024 0.000 1.190 426 G CA -0.015 44.936 45.100 -0.247 0.000 0.971 426 G HN 1.131 nan 8.290 nan 0.000 0.559 427 S N 2.276 117.994 115.700 0.032 0.000 2.699 427 S HA 0.374 4.844 4.470 -0.000 0.000 0.251 427 S C 0.140 174.833 174.600 0.155 0.000 1.179 427 S CA -0.252 58.019 58.200 0.120 0.000 1.200 427 S CB -0.313 62.958 63.200 0.118 0.000 0.848 427 S HN 0.566 nan 8.310 nan 0.000 0.472 428 N N 1.191 119.983 118.700 0.153 0.000 2.296 428 N HA 0.533 5.273 4.740 -0.000 0.000 0.294 428 N C -1.229 174.385 175.510 0.173 0.000 1.033 428 N CA -0.317 52.820 53.050 0.146 0.000 0.839 428 N CB 2.446 41.017 38.487 0.140 0.000 1.395 428 N HN 0.005 nan 8.380 nan 0.000 0.479 429 V N 0.237 120.257 119.914 0.177 0.000 2.925 429 V HA 0.878 4.998 4.120 -0.000 0.000 0.311 429 V C -0.634 175.511 176.094 0.085 0.000 1.104 429 V CA -0.894 61.486 62.300 0.133 0.000 0.954 429 V CB 1.917 33.817 31.823 0.128 0.000 1.022 429 V HN 0.814 nan 8.190 nan 0.000 0.427 430 A N 2.673 125.521 122.820 0.046 0.000 2.398 430 A HA 0.894 5.214 4.320 -0.000 0.000 0.301 430 A C -1.368 176.203 177.584 -0.023 0.000 1.041 430 A CA -0.542 51.496 52.037 0.001 0.000 0.711 430 A CB 1.940 20.924 19.000 -0.027 0.000 1.240 430 A HN 0.752 nan 8.150 nan 0.000 0.420 431 V N 2.507 122.407 119.914 -0.024 0.000 2.487 431 V HA 0.594 4.714 4.120 -0.000 0.000 0.298 431 V C -0.517 175.488 176.094 -0.148 0.000 1.028 431 V CA -0.539 61.755 62.300 -0.010 0.000 0.860 431 V CB 1.639 33.555 31.823 0.155 0.000 0.991 431 V HN 0.709 nan 8.190 nan 0.000 0.427 432 V N 3.451 123.117 119.914 -0.413 0.000 2.540 432 V HA 0.852 4.972 4.120 -0.000 0.000 0.302 432 V C 0.145 176.028 176.094 -0.353 0.000 1.035 432 V CA -0.555 61.417 62.300 -0.547 0.000 0.873 432 V CB 1.934 33.255 31.823 -0.837 0.000 0.992 432 V HN 0.997 nan 8.190 nan 0.000 0.428 433 A N 4.439 127.101 122.820 -0.265 0.000 2.303 433 A HA 0.889 5.209 4.320 -0.000 0.000 0.320 433 A C -0.960 176.650 177.584 0.043 0.000 1.192 433 A CA -0.525 51.517 52.037 0.008 0.000 0.821 433 A CB 1.467 20.578 19.000 0.185 0.000 1.188 433 A HN 0.701 nan 8.150 nan 0.000 0.492 434 V N 2.880 122.895 119.914 0.168 0.000 2.531 434 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 434 V C -0.662 175.536 176.094 0.173 0.000 1.034 434 V CA -0.791 61.630 62.300 0.203 0.000 0.865 434 V CB 1.977 34.011 31.823 0.350 0.000 0.995 434 V HN 0.888 nan 8.190 nan 0.000 0.424 435 N N 3.281 122.066 118.700 0.143 0.000 2.626 435 N HA 0.285 5.025 4.740 -0.000 0.000 0.242 435 N C 0.979 176.554 175.510 0.109 0.000 1.005 435 N CA -0.827 52.285 53.050 0.103 0.000 0.905 435 N CB 1.331 39.864 38.487 0.078 0.000 1.128 435 N HN 0.632 nan 8.380 nan 0.000 0.512 436 R N 1.795 122.339 120.500 0.073 0.000 2.237 436 R HA 0.054 4.394 4.340 -0.000 0.000 0.219 436 R C 0.415 176.750 176.300 0.059 0.000 1.080 436 R CA 0.529 56.672 56.100 0.071 0.000 0.995 436 R CB -0.467 29.772 30.300 -0.102 0.000 0.875 436 R HN 0.264 nan 8.270 nan 0.000 0.462 437 N N 1.362 120.087 118.700 0.042 0.000 2.406 437 N HA -0.026 4.713 4.740 -0.000 0.000 0.265 437 N C -0.059 175.482 175.510 0.052 0.000 1.203 437 N CA -0.042 53.031 53.050 0.038 0.000 0.945 437 N CB 0.739 39.245 38.487 0.032 0.000 1.165 437 N HN 0.114 nan 8.380 nan 0.000 0.485 438 L N 3.735 124.991 121.223 0.054 0.000 2.552 438 L HA 0.094 4.434 4.340 -0.000 0.000 0.227 438 L C 1.034 177.931 176.870 0.045 0.000 1.146 438 L CA 0.968 55.843 54.840 0.058 0.000 0.858 438 L CB -0.481 41.617 42.059 0.064 0.000 0.969 438 L HN 0.564 nan 8.230 nan 0.000 0.451 439 N N -1.294 117.428 118.700 0.037 0.000 2.273 439 N HA 0.326 5.066 4.740 -0.000 0.000 0.192 439 N C 0.175 175.702 175.510 0.029 0.000 1.132 439 N CA 0.338 53.406 53.050 0.030 0.000 0.887 439 N CB 0.824 39.326 38.487 0.025 0.000 1.048 439 N HN 0.154 nan 8.380 nan 0.000 0.490 440 A N 1.116 123.954 122.820 0.031 0.000 2.398 440 A HA 0.607 4.927 4.320 -0.000 0.000 0.301 440 A C -2.682 174.919 177.584 0.029 0.000 1.041 440 A CA -1.448 50.606 52.037 0.028 0.000 0.711 440 A CB 1.265 20.282 19.000 0.028 0.000 1.240 440 A HN -0.161 nan 8.150 nan 0.000 0.420 441 P HA 0.504 nan 4.420 nan 0.000 0.273 441 P C -0.397 176.904 177.300 0.002 0.000 1.250 441 P CA -0.103 63.007 63.100 0.016 0.000 0.793 441 P CB 0.982 32.691 31.700 0.013 0.000 1.011 442 A N 0.268 123.068 122.820 -0.033 0.000 2.414 442 A HA 0.568 4.888 4.320 -0.000 0.000 0.306 442 A C -0.540 176.946 177.584 -0.164 0.000 1.054 442 A CA -0.473 51.524 52.037 -0.067 0.000 0.724 442 A CB 1.002 19.952 19.000 -0.082 0.000 1.267 442 A HN 0.312 nan 8.150 nan 0.000 0.418 443 S N 1.424 117.040 115.700 -0.141 0.000 2.404 443 S HA 0.435 4.905 4.470 -0.000 0.000 0.309 443 S C -0.333 174.063 174.600 -0.341 0.000 1.076 443 S CA -0.134 57.948 58.200 -0.197 0.000 1.095 443 S CB -0.320 62.837 63.200 -0.071 0.000 0.972 443 S HN 0.469 nan 8.310 nan 0.000 0.484 444 I N 4.297 124.454 120.570 -0.687 0.000 2.291 444 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 444 I C 0.175 175.939 176.117 -0.589 0.000 1.050 444 I CA -0.084 60.597 61.300 -1.033 0.000 1.245 444 I CB 0.718 37.685 38.000 -1.721 0.000 1.405 444 I HN 0.507 nan 8.210 nan 0.000 0.478 445 S N 3.233 118.829 115.700 -0.173 0.000 2.548 445 S HA 0.794 5.264 4.470 -0.000 0.000 0.286 445 S C 0.464 175.200 174.600 0.227 0.000 1.098 445 S CA -0.207 58.006 58.200 0.022 0.000 0.930 445 S CB 1.984 65.212 63.200 0.047 0.000 1.070 445 S HN 1.033 nan 8.310 nan 0.000 0.480 446 G N 0.086 108.987 108.800 0.168 0.000 2.141 446 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.242 446 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.242 446 G C -0.272 174.788 174.900 0.266 0.000 0.982 446 G CA 0.026 45.251 45.100 0.209 0.000 0.662 446 G HN 1.103 nan 8.290 nan 0.000 0.527 447 L N 1.426 122.785 121.223 0.227 0.000 2.418 447 L HA 0.640 4.980 4.340 -0.000 0.000 0.274 447 L C 0.226 177.181 176.870 0.141 0.000 1.135 447 L CA -0.327 54.650 54.840 0.229 0.000 0.870 447 L CB 1.316 43.467 42.059 0.153 0.000 1.154 447 L HN 0.094 nan 8.230 nan 0.000 0.462 448 V N 4.914 124.911 119.914 0.138 0.000 2.495 448 V HA 0.756 4.876 4.120 -0.000 0.000 0.298 448 V C 0.265 176.400 176.094 0.068 0.000 1.031 448 V CA 0.035 62.384 62.300 0.080 0.000 0.871 448 V CB 1.738 33.605 31.823 0.073 0.000 0.988 448 V HN 0.996 nan 8.190 nan 0.000 0.432 449 T N 0.399 114.968 114.554 0.026 0.000 2.716 449 T HA 0.389 4.739 4.350 -0.000 0.000 0.286 449 T C 0.328 175.023 174.700 -0.009 0.000 1.052 449 T CA -0.391 61.716 62.100 0.010 0.000 1.024 449 T CB 1.908 70.754 68.868 -0.037 0.000 1.349 449 T HN 0.284 nan 8.240 nan 0.000 0.525 450 S N -0.106 115.584 115.700 -0.017 0.000 2.572 450 S HA 0.357 4.827 4.470 -0.000 0.000 0.228 450 S C 0.480 175.033 174.600 -0.079 0.000 0.963 450 S CA -0.505 57.678 58.200 -0.027 0.000 0.939 450 S CB -0.630 62.574 63.200 0.006 0.000 0.804 450 S HN 0.447 nan 8.310 nan 0.000 0.480 451 L N 2.727 123.875 121.223 -0.124 0.000 2.417 451 L HA 0.303 4.643 4.340 -0.000 0.000 0.268 451 L C -2.296 174.483 176.870 -0.152 0.000 1.158 451 L CA -2.004 52.712 54.840 -0.205 0.000 0.819 451 L CB 0.122 41.925 42.059 -0.425 0.000 1.112 451 L HN -0.055 nan 8.230 nan 0.000 0.458 452 P HA 0.030 nan 4.420 nan 0.000 0.274 452 P C -0.982 176.317 177.300 -0.002 0.000 1.231 452 P CA -0.547 62.446 63.100 -0.179 0.000 0.790 452 P CB 0.443 31.916 31.700 -0.378 0.000 0.951 453 Q N 0.778 120.559 119.800 -0.030 0.000 2.368 453 Q HA 0.301 4.641 4.340 -0.000 0.000 0.331 453 Q C 0.276 176.247 176.000 -0.047 0.000 1.086 453 Q CA 1.294 57.086 55.803 -0.018 0.000 1.031 453 Q CB -0.431 28.285 28.738 -0.036 0.000 1.125 453 Q HN 0.752 nan 8.270 nan 0.000 0.389 454 G N 1.748 110.505 108.800 -0.072 0.000 2.356 454 G HA2 0.135 4.095 3.960 -0.000 0.000 0.288 454 G HA3 0.135 4.095 3.960 -0.000 0.000 0.288 454 G C -1.543 173.182 174.900 -0.290 0.000 1.302 454 G CA -0.518 44.446 45.100 -0.227 0.000 0.887 454 G HN 0.542 nan 8.290 nan 0.000 0.521 455 S N -0.864 114.593 115.700 -0.405 0.000 2.537 455 S HA 0.813 5.283 4.470 -0.000 0.000 0.301 455 S C -1.525 172.794 174.600 -0.469 0.000 1.092 455 S CA -0.312 57.706 58.200 -0.303 0.000 1.048 455 S CB 0.988 64.080 63.200 -0.180 0.000 1.053 455 S HN 0.457 nan 8.310 nan 0.000 0.501 456 Y N 1.858 122.086 120.300 -0.120 0.000 2.373 456 Y HA 0.403 4.953 4.550 -0.000 0.000 0.336 456 Y C 0.207 176.158 175.900 0.085 0.000 0.979 456 Y CA -1.107 56.982 58.100 -0.020 0.000 1.080 456 Y CB 1.211 39.647 38.460 -0.039 0.000 1.190 456 Y HN 0.518 nan 8.280 nan 0.000 0.446 457 N N 1.692 120.540 118.700 0.246 0.000 2.530 457 N HA 0.035 4.775 4.740 -0.000 0.000 0.277 457 N C -0.749 174.944 175.510 0.305 0.000 1.168 457 N CA -0.412 52.770 53.050 0.220 0.000 0.979 457 N CB 0.658 39.211 38.487 0.111 0.000 1.141 457 N HN 0.643 nan 8.380 nan 0.000 0.459 458 D N 0.878 121.413 120.400 0.225 0.000 2.434 458 D HA -0.025 4.615 4.640 -0.000 0.000 0.252 458 D C 1.068 177.353 176.300 -0.025 0.000 1.185 458 D CA -0.056 53.958 54.000 0.024 0.000 0.886 458 D CB 0.719 41.507 40.800 -0.021 0.000 1.148 458 D HN 0.145 nan 8.370 nan 0.000 0.483 459 V N 4.580 124.442 119.914 -0.086 0.000 2.380 459 V HA -0.240 3.879 4.120 -0.000 0.000 0.251 459 V C 2.266 178.319 176.094 -0.069 0.000 1.063 459 V CA 1.386 63.650 62.300 -0.060 0.000 1.055 459 V CB -0.445 31.331 31.823 -0.079 0.000 0.657 459 V HN 0.648 nan 8.190 nan 0.000 0.455 460 L N 0.374 121.536 121.223 -0.102 0.000 2.610 460 L HA 0.157 4.497 4.340 -0.000 0.000 0.232 460 L C 1.727 178.574 176.870 -0.039 0.000 1.149 460 L CA 0.752 55.548 54.840 -0.073 0.000 0.872 460 L CB -0.835 41.169 42.059 -0.093 0.000 0.992 460 L HN 0.559 nan 8.230 nan 0.000 0.447 461 G N 0.160 108.944 108.800 -0.026 0.000 2.283 461 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.280 461 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.280 461 G C 1.008 175.910 174.900 0.003 0.000 1.029 461 G CA 0.416 45.516 45.100 -0.002 0.000 0.840 461 G HN 0.686 nan 8.290 nan 0.000 0.505 462 G N -1.823 106.974 108.800 -0.004 0.000 2.176 462 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.253 462 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.253 462 G C 1.239 176.144 174.900 0.008 0.000 0.979 462 G CA 1.040 46.146 45.100 0.009 0.000 0.641 462 G HN 1.533 nan 8.290 nan 0.000 0.530 463 L N 0.257 121.480 121.223 -0.000 0.000 2.021 463 L HA 0.090 4.430 4.340 -0.000 0.000 0.215 463 L C 2.066 178.943 176.870 0.012 0.000 1.074 463 L CA 2.543 57.387 54.840 0.008 0.000 0.760 463 L CB -0.164 41.898 42.059 0.004 0.000 0.889 463 L HN 0.428 nan 8.230 nan 0.000 0.433 464 L N -0.301 120.922 121.223 -0.001 0.000 3.034 464 L HA 0.261 4.600 4.340 -0.000 0.000 0.245 464 L C 0.197 177.077 176.870 0.015 0.000 1.295 464 L CA -0.134 54.712 54.840 0.010 0.000 1.068 464 L CB -0.706 41.354 42.059 0.002 0.000 1.426 464 L HN 0.340 nan 8.230 nan 0.000 0.531 465 N N -0.519 118.193 118.700 0.020 0.000 2.747 465 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 465 N C 0.650 176.185 175.510 0.041 0.000 1.107 465 N CA 0.728 53.799 53.050 0.034 0.000 0.707 465 N CB -1.044 37.470 38.487 0.045 0.000 1.054 465 N HN 0.620 nan 8.380 nan 0.000 0.555 466 G N -0.070 108.737 108.800 0.012 0.000 2.616 466 G HA2 0.465 4.425 3.960 -0.000 0.000 0.268 466 G HA3 0.465 4.425 3.960 -0.000 0.000 0.268 466 G C 0.221 175.170 174.900 0.083 0.000 1.213 466 G CA -0.142 44.963 45.100 0.009 0.000 0.926 466 G HN 0.406 nan 8.290 nan 0.000 0.523 467 N N -1.604 117.202 118.700 0.177 0.000 2.761 467 N HA 0.355 5.095 4.740 -0.000 0.000 0.283 467 N C -0.784 174.915 175.510 0.315 0.000 1.377 467 N CA -0.595 52.570 53.050 0.191 0.000 0.791 467 N CB 1.014 39.601 38.487 0.167 0.000 1.540 467 N HN 0.329 nan 8.380 nan 0.000 0.539 468 T N 0.606 115.248 114.554 0.147 0.000 2.904 468 T HA 0.402 4.752 4.350 -0.000 0.000 0.290 468 T C -0.194 174.362 174.700 -0.240 0.000 1.018 468 T CA -0.232 61.911 62.100 0.072 0.000 1.075 468 T CB 0.469 69.342 68.868 0.009 0.000 0.986 468 T HN 0.375 nan 8.240 nan 0.000 0.523 469 L N 1.562 122.498 121.223 -0.478 0.000 2.362 469 L HA 0.613 4.953 4.340 -0.000 0.000 0.271 469 L C -0.614 176.041 176.870 -0.358 0.000 1.002 469 L CA -0.132 54.223 54.840 -0.808 0.000 0.818 469 L CB 2.295 43.349 42.059 -1.675 0.000 1.298 469 L HN 0.552 nan 8.230 nan 0.000 0.420 470 S N 2.884 118.408 115.700 -0.292 0.000 2.530 470 S HA 0.715 5.185 4.470 -0.000 0.000 0.322 470 S C -0.963 173.572 174.600 -0.108 0.000 1.085 470 S CA -0.495 57.620 58.200 -0.141 0.000 1.096 470 S CB 1.467 64.603 63.200 -0.107 0.000 0.988 470 S HN 0.365 nan 8.310 nan 0.000 0.466 471 V N 3.163 123.056 119.914 -0.035 0.000 2.495 471 V HA 0.741 4.861 4.120 -0.000 0.000 0.298 471 V C 0.887 176.973 176.094 -0.014 0.000 1.031 471 V CA -0.453 61.835 62.300 -0.020 0.000 0.871 471 V CB 1.700 33.546 31.823 0.039 0.000 0.988 471 V HN 0.903 nan 8.190 nan 0.000 0.432 472 G N 2.611 111.400 108.800 -0.018 0.000 2.736 472 G HA2 0.532 4.492 3.960 -0.000 0.000 0.229 472 G HA3 0.532 4.492 3.960 -0.000 0.000 0.229 472 G C 0.161 175.051 174.900 -0.015 0.000 1.380 472 G CA -0.033 45.057 45.100 -0.017 0.000 1.040 472 G HN 0.861 nan 8.290 nan 0.000 0.568 473 S N -1.806 113.885 115.700 -0.014 0.000 2.603 473 S HA 0.459 4.929 4.470 -0.000 0.000 0.268 473 S C 1.309 175.903 174.600 -0.010 0.000 1.317 473 S CA 0.664 58.856 58.200 -0.014 0.000 1.012 473 S CB 1.024 64.217 63.200 -0.013 0.000 0.926 473 S HN 2.397 nan 8.310 nan 0.000 0.539 474 G N 0.904 109.697 108.800 -0.011 0.000 2.234 474 G HA2 0.041 4.001 3.960 -0.000 0.000 0.260 474 G HA3 0.041 4.001 3.960 -0.000 0.000 0.260 474 G C 1.263 176.159 174.900 -0.007 0.000 0.987 474 G CA 0.597 45.694 45.100 -0.005 0.000 0.625 474 G HN 2.420 nan 8.290 nan 0.000 0.532 475 G N -0.802 107.989 108.800 -0.015 0.000 2.176 475 G HA2 0.187 4.147 3.960 -0.000 0.000 0.253 475 G HA3 0.187 4.147 3.960 -0.000 0.000 0.253 475 G C 0.834 175.726 174.900 -0.013 0.000 0.979 475 G CA 1.208 46.296 45.100 -0.021 0.000 0.641 475 G HN 2.347 nan 8.290 nan 0.000 0.530 476 A N 0.348 123.167 122.820 -0.000 0.000 2.451 476 A HA 0.769 5.089 4.320 -0.000 0.000 0.266 476 A C 0.914 178.497 177.584 -0.002 0.000 1.119 476 A CA 1.115 53.159 52.037 0.012 0.000 0.786 476 A CB 0.322 19.335 19.000 0.021 0.000 1.061 476 A HN 2.058 nan 8.150 nan 0.000 0.503 477 A N 3.128 125.947 122.820 -0.001 0.000 2.340 477 A HA 0.607 4.927 4.320 -0.000 0.000 0.268 477 A C 0.891 178.489 177.584 0.023 0.000 1.100 477 A CA 0.157 52.178 52.037 -0.028 0.000 0.803 477 A CB 0.080 19.049 19.000 -0.050 0.000 1.043 477 A HN 1.679 nan 8.150 nan 0.000 0.488 478 S N 1.920 117.625 115.700 0.010 0.000 2.632 478 S HA 0.256 4.726 4.470 -0.000 0.000 0.267 478 S C 0.052 174.726 174.600 0.124 0.000 1.276 478 S CA -0.741 57.485 58.200 0.043 0.000 0.998 478 S CB 0.080 63.289 63.200 0.015 0.000 0.953 478 S HN 0.731 nan 8.310 nan 0.000 0.547 479 N N 0.791 119.543 118.700 0.085 0.000 2.353 479 N HA 0.377 5.117 4.740 -0.000 0.000 0.248 479 N C -0.638 174.969 175.510 0.162 0.000 1.240 479 N CA 0.437 53.523 53.050 0.060 0.000 0.862 479 N CB -0.004 38.489 38.487 0.011 0.000 1.086 479 N HN 0.646 nan 8.380 nan 0.000 0.453 480 F N -2.172 117.723 119.950 -0.093 0.000 2.713 480 F HA 0.467 4.994 4.527 -0.000 0.000 0.311 480 F C -1.090 174.664 175.800 -0.077 0.000 1.141 480 F CA -1.122 56.831 58.000 -0.078 0.000 0.939 480 F CB 0.960 39.907 39.000 -0.088 0.000 1.325 480 F HN 0.066 nan 8.300 nan 0.000 0.453 481 T N 3.111 117.703 114.554 0.064 0.000 2.767 481 T HA 0.530 4.880 4.350 -0.000 0.000 0.284 481 T C -1.095 173.660 174.700 0.090 0.000 0.973 481 T CA -0.326 61.752 62.100 -0.036 0.000 0.996 481 T CB 1.252 70.132 68.868 0.021 0.000 0.927 481 T HN 0.724 nan 8.240 nan 0.000 0.456 482 L N 4.572 125.776 121.223 -0.032 0.000 2.259 482 L HA 0.683 5.023 4.340 -0.000 0.000 0.288 482 L C 0.558 177.466 176.870 0.064 0.000 1.051 482 L CA -0.416 54.482 54.840 0.096 0.000 0.824 482 L CB -0.321 41.752 42.059 0.024 0.000 1.206 482 L HN 0.784 nan 8.230 nan 0.000 0.429 483 A N 4.361 127.237 122.820 0.093 0.000 2.577 483 A HA 0.435 4.755 4.320 -0.000 0.000 0.233 483 A C 0.695 178.314 177.584 0.057 0.000 1.076 483 A CA 0.350 52.427 52.037 0.067 0.000 0.767 483 A CB -0.225 18.817 19.000 0.070 0.000 1.017 483 A HN 1.195 nan 8.150 nan 0.000 0.511 484 A N 0.374 123.224 122.820 0.049 0.000 2.511 484 A HA 0.491 4.811 4.320 -0.000 0.000 0.242 484 A C 1.701 179.321 177.584 0.060 0.000 1.069 484 A CA 0.692 52.758 52.037 0.050 0.000 0.763 484 A CB -0.875 18.150 19.000 0.042 0.000 1.001 484 A HN 2.786 nan 8.150 nan 0.000 0.498 485 G N 1.765 110.608 108.800 0.071 0.000 2.200 485 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.267 485 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.267 485 G C 0.851 175.800 174.900 0.081 0.000 0.993 485 G CA 0.894 46.045 45.100 0.086 0.000 0.701 485 G HN 1.923 nan 8.290 nan 0.000 0.524 486 G N -0.843 108.003 108.800 0.076 0.000 2.441 486 G HA2 0.545 4.505 3.960 -0.000 0.000 0.243 486 G HA3 0.545 4.505 3.960 -0.000 0.000 0.243 486 G C -0.114 174.820 174.900 0.057 0.000 1.281 486 G CA 0.831 45.971 45.100 0.067 0.000 0.854 486 G HN 0.686 nan 8.290 nan 0.000 0.560 487 T N 0.347 114.908 114.554 0.011 0.000 2.991 487 T HA 0.651 5.001 4.350 -0.000 0.000 0.303 487 T C -0.322 174.282 174.700 -0.161 0.000 1.015 487 T CA -0.064 62.012 62.100 -0.040 0.000 1.007 487 T CB 1.719 70.576 68.868 -0.018 0.000 1.034 487 T HN 1.052 nan 8.240 nan 0.000 0.446 488 A N 2.514 125.126 122.820 -0.347 0.000 2.449 488 A HA 0.872 5.192 4.320 -0.000 0.000 0.302 488 A C -1.127 175.861 177.584 -0.994 0.000 1.048 488 A CA -0.685 50.934 52.037 -0.697 0.000 0.708 488 A CB 1.569 20.021 19.000 -0.914 0.000 1.274 488 A HN 0.652 nan 8.150 nan 0.000 0.410 489 V N 2.873 122.241 119.914 -0.909 0.000 2.487 489 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 489 V C -0.919 174.775 176.094 -0.666 0.000 1.028 489 V CA -0.457 61.437 62.300 -0.677 0.000 0.860 489 V CB 1.245 32.861 31.823 -0.345 0.000 0.991 489 V HN 0.840 nan 8.190 nan 0.000 0.427 490 W N 3.843 125.069 121.300 -0.124 0.000 2.781 490 W HA 0.759 5.419 4.660 -0.000 0.000 0.345 490 W C -0.253 176.184 176.519 -0.137 0.000 1.085 490 W CA -0.630 56.640 57.345 -0.124 0.000 1.198 490 W CB 2.095 31.427 29.460 -0.213 0.000 1.423 490 W HN 0.680 nan 8.180 nan 0.000 0.532 491 Q N 0.965 120.851 119.800 0.142 0.000 2.575 491 Q HA 0.588 4.928 4.340 -0.000 0.000 0.290 491 Q C -2.387 173.756 176.000 0.237 0.000 0.963 491 Q CA -1.033 54.831 55.803 0.101 0.000 0.783 491 Q CB 3.302 32.080 28.738 0.066 0.000 1.467 491 Q HN 0.442 nan 8.270 nan 0.000 0.402 492 Y N 0.772 121.106 120.300 0.057 0.000 2.396 492 Y HA 0.577 5.127 4.550 -0.000 0.000 0.332 492 Y C -1.720 174.223 175.900 0.072 0.000 1.034 492 Y CA -0.168 58.003 58.100 0.117 0.000 1.057 492 Y CB 2.341 40.889 38.460 0.148 0.000 1.220 492 Y HN 0.889 nan 8.280 nan 0.000 0.440 493 T N 2.736 116.954 114.554 -0.559 0.000 2.863 493 T HA 0.995 5.345 4.350 -0.000 0.000 0.285 493 T C -0.654 173.653 174.700 -0.654 0.000 1.009 493 T CA -0.402 61.426 62.100 -0.453 0.000 0.989 493 T CB 1.787 70.529 68.868 -0.210 0.000 1.004 493 T HN 1.146 nan 8.240 nan 0.000 0.455 494 A N 1.342 123.934 122.820 -0.380 0.000 2.599 494 A HA 0.914 5.234 4.320 -0.000 0.000 0.290 494 A C -0.304 177.229 177.584 -0.086 0.000 1.101 494 A CA -0.796 51.097 52.037 -0.239 0.000 0.674 494 A CB 0.696 19.579 19.000 -0.195 0.000 1.277 494 A HN 1.598 nan 8.150 nan 0.000 0.419 495 A N 0.413 123.205 122.820 -0.046 0.000 2.511 495 A HA 0.551 4.871 4.320 -0.000 0.000 0.242 495 A C 0.392 177.973 177.584 -0.006 0.000 1.069 495 A CA 0.619 52.643 52.037 -0.021 0.000 0.763 495 A CB -0.439 18.554 19.000 -0.011 0.000 1.001 495 A HN 0.920 nan 8.150 nan 0.000 0.498 496 T N 2.290 116.835 114.554 -0.014 0.000 2.767 496 T HA 0.469 4.819 4.350 -0.000 0.000 0.288 496 T C 1.230 175.917 174.700 -0.021 0.000 0.963 496 T CA 0.295 62.380 62.100 -0.026 0.000 1.019 496 T CB 1.579 70.411 68.868 -0.060 0.000 0.923 496 T HN 0.852 nan 8.240 nan 0.000 0.468 497 A N 3.080 125.895 122.820 -0.009 0.000 2.030 497 A HA 0.216 4.536 4.320 -0.000 0.000 0.215 497 A C 1.381 178.976 177.584 0.018 0.000 1.164 497 A CA 0.256 52.298 52.037 0.009 0.000 0.697 497 A CB -0.122 18.887 19.000 0.015 0.000 0.827 497 A HN 0.750 nan 8.150 nan 0.000 0.457 498 T N -1.246 113.308 114.554 0.001 0.000 2.895 498 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 498 T C -3.203 171.508 174.700 0.019 0.000 1.014 498 T CA -2.557 59.556 62.100 0.020 0.000 1.037 498 T CB 1.516 70.389 68.868 0.008 0.000 1.006 498 T HN -0.047 nan 8.240 nan 0.000 0.468 499 P HA 0.265 nan 4.420 nan 0.000 0.267 499 P C -0.625 176.734 177.300 0.099 0.000 1.209 499 P CA -0.057 63.157 63.100 0.191 0.000 0.763 499 P CB 0.126 32.047 31.700 0.367 0.000 0.816 500 T N 4.470 119.025 114.554 0.002 0.000 2.906 500 T HA 0.439 4.789 4.350 -0.000 0.000 0.302 500 T C 0.246 175.006 174.700 0.100 0.000 1.002 500 T CA -0.385 61.673 62.100 -0.070 0.000 0.988 500 T CB 0.378 68.997 68.868 -0.416 0.000 0.972 500 T HN 0.193 nan 8.240 nan 0.000 0.447 501 I N 2.556 123.253 120.570 0.212 0.000 2.416 501 I HA 0.339 4.509 4.170 -0.000 0.000 0.288 501 I C 1.413 177.670 176.117 0.233 0.000 1.051 501 I CA 0.053 61.502 61.300 0.247 0.000 1.375 501 I CB 1.208 39.306 38.000 0.162 0.000 1.407 501 I HN 0.879 nan 8.210 nan 0.000 0.516 502 G N 5.126 113.905 108.800 -0.036 0.000 2.762 502 G HA2 0.031 3.991 3.960 -0.000 0.000 0.209 502 G HA3 0.031 3.991 3.960 -0.000 0.000 0.209 502 G C 0.350 175.039 174.900 -0.351 0.000 1.134 502 G CA 0.310 45.158 45.100 -0.420 0.000 0.781 502 G HN 0.642 nan 8.290 nan 0.000 0.528 503 H N -1.300 117.480 119.070 -0.483 0.000 3.060 503 H HA 0.438 4.994 4.556 -0.000 0.000 0.330 503 H C -2.148 172.851 175.328 -0.549 0.000 1.305 503 H CA -0.288 55.538 56.048 -0.369 0.000 1.209 503 H CB 2.096 31.765 29.762 -0.155 0.000 1.913 503 H HN -0.111 nan 8.280 nan 0.000 0.534 504 V N 2.025 121.370 119.914 -0.948 0.000 2.709 504 V HA 0.704 4.824 4.120 -0.000 0.000 0.308 504 V C 0.053 176.000 176.094 -0.246 0.000 1.062 504 V CA -0.114 61.852 62.300 -0.556 0.000 0.901 504 V CB 1.847 33.265 31.823 -0.675 0.000 1.003 504 V HN 0.891 nan 8.190 nan 0.000 0.425 505 G N 4.371 113.184 108.800 0.023 0.000 2.759 505 G HA2 0.712 4.672 3.960 -0.000 0.000 0.297 505 G HA3 0.712 4.672 3.960 -0.000 0.000 0.297 505 G C -3.338 171.674 174.900 0.186 0.000 1.434 505 G CA -1.151 44.053 45.100 0.173 0.000 0.980 505 G HN 0.473 nan 8.290 nan 0.000 0.531 506 P HA 0.189 nan 4.420 nan 0.000 0.274 506 P C 0.449 177.909 177.300 0.266 0.000 1.260 506 P CA -0.315 62.908 63.100 0.206 0.000 0.793 506 P CB 1.002 32.790 31.700 0.147 0.000 1.048 507 M N -0.859 118.814 119.600 0.122 0.000 2.371 507 M HA 0.267 4.747 4.480 -0.000 0.000 0.246 507 M C 0.581 176.599 176.300 -0.469 0.000 1.103 507 M CA 0.471 55.781 55.300 0.016 0.000 1.010 507 M CB -0.455 32.167 32.600 0.037 0.000 1.457 507 M HN 0.438 nan 8.290 nan 0.000 0.486 508 M N 0.730 120.129 119.600 -0.335 0.000 2.284 508 M HA 0.617 5.097 4.480 -0.000 0.000 0.281 508 M C -2.202 174.005 176.300 -0.155 0.000 1.083 508 M CA -0.214 54.863 55.300 -0.371 0.000 0.965 508 M CB 2.350 34.819 32.600 -0.219 0.000 1.717 508 M HN 0.014 nan 8.290 nan 0.000 0.479 509 A N 3.593 126.348 122.820 -0.109 0.000 2.567 509 A HA 0.583 4.903 4.320 -0.000 0.000 0.291 509 A C -1.869 175.735 177.584 0.032 0.000 1.048 509 A CA -0.974 51.071 52.037 0.014 0.000 0.661 509 A CB 1.504 20.564 19.000 0.100 0.000 1.288 509 A HN 0.919 nan 8.150 nan 0.000 0.424 510 K N 0.152 120.565 120.400 0.021 0.000 2.098 510 K HA 0.691 5.011 4.320 -0.000 0.000 0.244 510 K C -2.673 173.925 176.600 -0.003 0.000 1.014 510 K CA -1.592 54.700 56.287 0.009 0.000 0.917 510 K CB 0.220 32.721 32.500 0.001 0.000 1.072 510 K HN 0.291 nan 8.250 nan 0.000 0.477 511 P HA 0.009 nan 4.420 nan 0.000 0.267 511 P C 0.466 177.729 177.300 -0.063 0.000 1.200 511 P CA 0.899 63.952 63.100 -0.079 0.000 0.772 511 P CB 0.593 32.234 31.700 -0.098 0.000 0.855 512 G N 0.215 108.963 108.800 -0.086 0.000 2.234 512 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.235 512 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.235 512 G C 0.072 174.951 174.900 -0.035 0.000 0.997 512 G CA -0.089 44.976 45.100 -0.057 0.000 0.623 512 G HN 0.545 nan 8.290 nan 0.000 0.514 513 V N 1.753 121.656 119.914 -0.018 0.000 2.834 513 V HA 0.559 4.679 4.120 -0.000 0.000 0.301 513 V C 0.969 177.067 176.094 0.007 0.000 1.066 513 V CA 0.318 62.621 62.300 0.005 0.000 1.052 513 V CB 1.605 33.449 31.823 0.036 0.000 1.021 513 V HN 0.274 nan 8.190 nan 0.000 0.480 514 T N 5.812 120.371 114.554 0.008 0.000 2.780 514 T HA 0.522 4.872 4.350 -0.000 0.000 0.294 514 T C -0.072 174.648 174.700 0.034 0.000 0.949 514 T CA 0.038 62.144 62.100 0.009 0.000 1.074 514 T CB 0.204 69.069 68.868 -0.005 0.000 0.910 514 T HN 0.580 nan 8.240 nan 0.000 0.501 515 I N 0.147 120.739 120.570 0.036 0.000 2.863 515 I HA 0.723 4.893 4.170 -0.000 0.000 0.311 515 I C -0.377 175.735 176.117 -0.008 0.000 1.026 515 I CA -0.843 60.484 61.300 0.045 0.000 1.077 515 I CB 2.064 40.087 38.000 0.039 0.000 1.262 515 I HN 0.310 nan 8.210 nan 0.000 0.461 516 T N 5.182 119.735 114.554 -0.003 0.000 2.770 516 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 516 T C -0.195 174.459 174.700 -0.078 0.000 0.988 516 T CA -0.170 61.911 62.100 -0.032 0.000 0.957 516 T CB 0.919 69.795 68.868 0.013 0.000 0.930 516 T HN 0.375 nan 8.240 nan 0.000 0.443 517 I N 3.787 124.268 120.570 -0.148 0.000 2.354 517 I HA 0.319 4.489 4.170 -0.000 0.000 0.286 517 I C -0.272 175.806 176.117 -0.066 0.000 1.007 517 I CA -0.674 60.501 61.300 -0.209 0.000 1.167 517 I CB 1.010 38.785 38.000 -0.374 0.000 1.320 517 I HN 0.485 nan 8.210 nan 0.000 0.458 518 D N 4.991 125.373 120.400 -0.029 0.000 2.198 518 D HA 0.757 5.397 4.640 -0.000 0.000 0.247 518 D C 0.269 176.490 176.300 -0.132 0.000 1.010 518 D CA -0.046 53.949 54.000 -0.008 0.000 0.880 518 D CB 2.652 43.420 40.800 -0.053 0.000 1.209 518 D HN 0.740 nan 8.370 nan 0.000 0.451 519 G N 0.589 109.236 108.800 -0.256 0.000 2.498 519 G HA2 0.273 4.233 3.960 -0.000 0.000 0.181 519 G HA3 0.273 4.233 3.960 -0.000 0.000 0.181 519 G C -1.253 173.362 174.900 -0.475 0.000 1.169 519 G CA -0.569 44.318 45.100 -0.354 0.000 0.992 519 G HN 0.315 nan 8.290 nan 0.000 0.490 520 R N -1.088 119.085 120.500 -0.546 0.000 2.764 520 R HA 0.614 4.954 4.340 -0.000 0.000 0.270 520 R C 0.496 176.468 176.300 -0.546 0.000 1.014 520 R CA -0.013 55.814 56.100 -0.454 0.000 0.904 520 R CB 1.226 31.505 30.300 -0.036 0.000 1.236 520 R HN 2.237 nan 8.270 nan 0.000 0.466 521 G N 0.801 109.414 108.800 -0.311 0.000 2.147 521 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 521 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 521 G C 0.197 175.129 174.900 0.052 0.000 1.005 521 G CA 0.311 45.346 45.100 -0.108 0.000 0.713 521 G HN 0.411 nan 8.290 nan 0.000 0.515 522 F N 1.057 121.019 119.950 0.019 0.000 2.558 522 F HA 0.407 4.934 4.527 -0.000 0.000 0.298 522 F C 2.014 178.031 175.800 0.361 0.000 1.119 522 F CA 0.861 58.900 58.000 0.065 0.000 1.451 522 F CB -0.577 38.230 39.000 -0.322 0.000 1.091 522 F HN 1.094 nan 8.300 nan 0.000 0.563 523 G N 0.023 109.064 108.800 0.403 0.000 2.814 523 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.677 523 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.677 523 G C 0.553 175.719 174.900 0.444 0.000 1.429 523 G CA -0.154 45.158 45.100 0.355 0.000 0.868 523 G HN 0.414 nan 8.290 nan 0.000 0.553 524 S N -1.475 114.382 115.700 0.261 0.000 2.557 524 S HA 0.590 5.060 4.470 -0.000 0.000 0.223 524 S C 0.782 175.464 174.600 0.137 0.000 0.969 524 S CA 0.936 59.288 58.200 0.254 0.000 0.927 524 S CB 0.794 64.078 63.200 0.139 0.000 0.806 524 S HN 1.501 nan 8.310 nan 0.000 0.489 525 S N 1.533 117.221 115.700 -0.021 0.000 2.472 525 S HA 0.420 4.890 4.470 -0.000 0.000 0.303 525 S C -0.307 173.819 174.600 -0.789 0.000 1.099 525 S CA -0.749 57.304 58.200 -0.245 0.000 1.077 525 S CB 0.637 63.739 63.200 -0.162 0.000 1.031 525 S HN 0.341 nan 8.310 nan 0.000 0.487 526 K N 2.292 122.194 120.400 -0.831 0.000 2.561 526 K HA 0.184 4.504 4.320 -0.000 0.000 0.280 526 K C 0.798 176.632 176.600 -1.276 0.000 0.975 526 K CA 0.480 56.013 56.287 -1.257 0.000 1.024 526 K CB 0.276 32.456 32.500 -0.533 0.000 0.883 526 K HN 0.723 nan 8.250 nan 0.000 0.496 527 G N 1.295 108.996 108.800 -1.833 0.000 3.356 527 G HA2 0.376 4.336 3.960 -0.000 0.000 0.178 527 G HA3 0.376 4.336 3.960 -0.000 0.000 0.178 527 G C -0.864 173.793 174.900 -0.404 0.000 1.175 527 G CA -0.223 44.365 45.100 -0.853 0.000 0.840 527 G HN 0.509 nan 8.290 nan 0.000 0.658 528 T N -0.519 113.981 114.554 -0.089 0.000 2.906 528 T HA 0.584 4.934 4.350 -0.000 0.000 0.295 528 T C -1.204 173.474 174.700 -0.037 0.000 1.061 528 T CA -0.261 61.765 62.100 -0.124 0.000 1.000 528 T CB 2.229 70.928 68.868 -0.282 0.000 1.103 528 T HN 0.317 nan 8.240 nan 0.000 0.486 529 V N 2.621 122.434 119.914 -0.168 0.000 2.448 529 V HA 0.488 4.608 4.120 -0.000 0.000 0.295 529 V C -1.401 174.537 176.094 -0.260 0.000 1.025 529 V CA -0.847 61.366 62.300 -0.145 0.000 0.859 529 V CB 1.083 32.843 31.823 -0.106 0.000 0.988 529 V HN 0.802 nan 8.190 nan 0.000 0.431 530 Y N 3.834 124.057 120.300 -0.129 0.000 2.341 530 Y HA 0.597 5.147 4.550 -0.000 0.000 0.337 530 Y C -0.336 175.444 175.900 -0.200 0.000 1.014 530 Y CA -0.924 57.143 58.100 -0.056 0.000 1.111 530 Y CB 1.473 39.924 38.460 -0.014 0.000 1.194 530 Y HN 0.517 nan 8.280 nan 0.000 0.462 531 F N 2.626 122.628 119.950 0.085 0.000 2.293 531 F HA 0.520 5.047 4.527 -0.000 0.000 0.370 531 F C 0.970 176.886 175.800 0.193 0.000 1.090 531 F CA -0.144 57.868 58.000 0.020 0.000 1.133 531 F CB 0.665 39.535 39.000 -0.216 0.000 1.360 531 F HN 0.813 nan 8.300 nan 0.000 0.489 532 G N 2.340 111.384 108.800 0.408 0.000 2.543 532 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.286 532 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.286 532 G C 1.058 176.126 174.900 0.281 0.000 1.153 532 G CA 0.419 45.760 45.100 0.403 0.000 0.968 532 G HN 0.721 nan 8.290 nan 0.000 0.544 533 T N -1.865 112.850 114.554 0.268 0.000 3.040 533 T HA 0.424 4.774 4.350 -0.000 0.000 0.250 533 T C 1.028 175.899 174.700 0.285 0.000 1.058 533 T CA 1.405 63.644 62.100 0.231 0.000 0.988 533 T CB 0.186 69.147 68.868 0.156 0.000 0.993 533 T HN 0.772 nan 8.240 nan 0.000 0.519 534 T N 3.320 118.033 114.554 0.264 0.000 2.814 534 T HA 0.609 4.959 4.350 -0.000 0.000 0.297 534 T C 0.193 174.983 174.700 0.151 0.000 0.956 534 T CA -0.395 61.813 62.100 0.180 0.000 1.123 534 T CB 0.765 69.703 68.868 0.116 0.000 0.902 534 T HN 0.527 nan 8.240 nan 0.000 0.528 535 A N 3.534 126.371 122.820 0.028 0.000 2.301 535 A HA 0.705 5.025 4.320 -0.000 0.000 0.312 535 A C -0.400 177.094 177.584 -0.151 0.000 1.182 535 A CA -0.600 51.300 52.037 -0.228 0.000 0.826 535 A CB 0.735 19.554 19.000 -0.301 0.000 1.134 535 A HN 0.673 nan 8.150 nan 0.000 0.501 536 V N 2.253 122.055 119.914 -0.187 0.000 2.588 536 V HA 0.740 4.860 4.120 -0.000 0.000 0.304 536 V C 0.040 176.063 176.094 -0.119 0.000 1.042 536 V CA 0.109 62.355 62.300 -0.089 0.000 0.877 536 V CB 1.573 33.409 31.823 0.022 0.000 0.996 536 V HN 1.324 nan 8.190 nan 0.000 0.425 537 S N 2.431 118.074 115.700 -0.095 0.000 2.688 537 S HA 0.970 5.440 4.470 -0.000 0.000 0.275 537 S C 0.116 174.671 174.600 -0.076 0.000 1.175 537 S CA 0.070 58.209 58.200 -0.101 0.000 0.818 537 S CB 1.473 64.592 63.200 -0.135 0.000 1.157 537 S HN 2.207 nan 8.310 nan 0.000 0.482 538 G N 1.181 109.929 108.800 -0.086 0.000 2.528 538 G HA2 0.100 4.060 3.960 -0.000 0.000 0.262 538 G HA3 0.100 4.060 3.960 -0.000 0.000 0.262 538 G C 1.049 175.923 174.900 -0.044 0.000 1.200 538 G CA 0.829 45.889 45.100 -0.067 0.000 0.951 538 G HN 1.975 nan 8.290 nan 0.000 0.566 539 A N -1.099 121.698 122.820 -0.037 0.000 2.024 539 A HA 0.059 4.379 4.320 -0.000 0.000 0.220 539 A C 1.929 179.502 177.584 -0.019 0.000 1.164 539 A CA 2.593 54.614 52.037 -0.026 0.000 0.643 539 A CB -0.468 18.517 19.000 -0.027 0.000 0.806 539 A HN 0.640 nan 8.150 nan 0.000 0.451 540 D N -0.406 119.979 120.400 -0.024 0.000 2.312 540 D HA 0.032 4.672 4.640 -0.000 0.000 0.211 540 D C 0.463 176.762 176.300 -0.002 0.000 0.964 540 D CA 0.476 54.463 54.000 -0.022 0.000 0.877 540 D CB -0.131 40.647 40.800 -0.038 0.000 0.924 540 D HN 0.442 nan 8.370 nan 0.000 0.515 541 I N 1.906 122.484 120.570 0.013 0.000 2.260 541 I HA -0.024 4.146 4.170 -0.000 0.000 0.297 541 I C 1.655 177.801 176.117 0.048 0.000 1.143 541 I CA -0.011 61.320 61.300 0.052 0.000 1.271 541 I CB 0.846 38.906 38.000 0.099 0.000 1.461 541 I HN -0.089 nan 8.210 nan 0.000 0.530 542 T N 0.879 115.452 114.554 0.032 0.000 3.035 542 T HA -0.019 4.331 4.350 -0.000 0.000 0.268 542 T C 0.630 175.355 174.700 0.041 0.000 1.109 542 T CA 0.549 62.664 62.100 0.024 0.000 1.119 542 T CB -0.071 68.802 68.868 0.007 0.000 0.900 542 T HN 0.600 nan 8.240 nan 0.000 0.503 543 S N -1.054 114.688 115.700 0.070 0.000 2.558 543 S HA 0.505 4.975 4.470 -0.000 0.000 0.277 543 S C -2.083 172.619 174.600 0.169 0.000 1.143 543 S CA -1.099 57.159 58.200 0.096 0.000 0.865 543 S CB 1.289 64.522 63.200 0.054 0.000 1.102 543 S HN 0.454 nan 8.310 nan 0.000 0.454 544 W N 2.596 123.885 121.300 -0.019 0.000 3.132 544 W HA 0.537 5.197 4.660 -0.000 0.000 0.337 544 W C -1.537 174.999 176.519 0.028 0.000 1.082 544 W CA -0.364 56.975 57.345 -0.008 0.000 1.242 544 W CB 1.660 31.102 29.460 -0.031 0.000 1.354 544 W HN 1.044 nan 8.180 nan 0.000 0.461 545 E N 2.017 122.290 120.200 0.121 0.000 2.445 545 E HA 0.093 4.443 4.350 -0.000 0.000 0.273 545 E C -0.101 176.555 176.600 0.094 0.000 0.961 545 E CA -0.688 55.804 56.400 0.153 0.000 0.807 545 E CB 2.017 31.760 29.700 0.072 0.000 1.362 545 E HN 0.247 nan 8.360 nan 0.000 0.453 546 D N 0.119 120.590 120.400 0.118 0.000 2.123 546 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 546 D C 1.640 177.872 176.300 -0.113 0.000 0.992 546 D CA 2.241 56.279 54.000 0.064 0.000 0.833 546 D CB 0.169 40.986 40.800 0.029 0.000 0.954 546 D HN 0.507 nan 8.370 nan 0.000 0.455 547 T N -3.490 111.014 114.554 -0.083 0.000 3.054 547 T HA 0.144 4.494 4.350 -0.000 0.000 0.255 547 T C 0.484 175.179 174.700 -0.008 0.000 1.035 547 T CA -0.462 61.535 62.100 -0.172 0.000 0.941 547 T CB 0.391 69.197 68.868 -0.103 0.000 1.026 547 T HN 0.161 nan 8.240 nan 0.000 0.533 548 Q N 0.129 119.989 119.800 0.100 0.000 2.352 548 Q HA 0.622 4.961 4.340 -0.000 0.000 0.270 548 Q C -2.247 173.693 176.000 -0.100 0.000 1.006 548 Q CA -0.874 54.960 55.803 0.051 0.000 0.880 548 Q CB 1.887 30.618 28.738 -0.012 0.000 1.392 548 Q HN 0.449 nan 8.270 nan 0.000 0.401 549 I N 2.797 123.223 120.570 -0.239 0.000 2.533 549 I HA 0.475 4.645 4.170 -0.000 0.000 0.290 549 I C -0.879 175.129 176.117 -0.181 0.000 1.056 549 I CA -0.777 60.314 61.300 -0.348 0.000 1.057 549 I CB 2.211 39.764 38.000 -0.745 0.000 1.240 549 I HN 0.410 nan 8.210 nan 0.000 0.423 550 K N 5.316 125.666 120.400 -0.083 0.000 2.323 550 K HA 0.749 5.069 4.320 -0.000 0.000 0.259 550 K C -1.402 175.187 176.600 -0.018 0.000 0.947 550 K CA -0.697 55.562 56.287 -0.047 0.000 0.819 550 K CB 2.989 35.476 32.500 -0.022 0.000 1.109 550 K HN 0.352 nan 8.250 nan 0.000 0.429 551 V N 2.629 122.535 119.914 -0.014 0.000 3.012 551 V HA 0.352 4.472 4.120 -0.000 0.000 0.307 551 V C -1.512 174.593 176.094 0.017 0.000 1.166 551 V CA -0.937 61.373 62.300 0.017 0.000 0.974 551 V CB 2.096 33.943 31.823 0.040 0.000 1.040 551 V HN 0.658 nan 8.190 nan 0.000 0.428 552 K N 5.659 126.053 120.400 -0.010 0.000 2.249 552 K HA 0.511 4.831 4.320 -0.000 0.000 0.280 552 K C -0.420 176.096 176.600 -0.140 0.000 1.033 552 K CA -0.391 55.865 56.287 -0.052 0.000 0.946 552 K CB 1.469 33.932 32.500 -0.062 0.000 1.005 552 K HN 0.612 nan 8.250 nan 0.000 0.469 553 I N 5.406 125.858 120.570 -0.198 0.000 2.598 553 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 553 I C -1.671 174.158 176.117 -0.480 0.000 1.140 553 I CA -1.729 59.267 61.300 -0.506 0.000 1.420 553 I CB 0.193 38.025 38.000 -0.280 0.000 1.387 553 I HN 0.361 nan 8.210 nan 0.000 0.553 554 P HA 0.024 nan 4.420 nan 0.000 0.271 554 P C -0.643 176.485 177.300 -0.288 0.000 1.233 554 P CA -0.509 62.370 63.100 -0.368 0.000 0.789 554 P CB 0.579 32.074 31.700 -0.342 0.000 0.951 555 A N 1.668 124.384 122.820 -0.172 0.000 2.981 555 A HA 0.401 4.721 4.320 -0.000 0.000 0.280 555 A C 0.613 178.136 177.584 -0.100 0.000 1.743 555 A CA -0.336 51.630 52.037 -0.118 0.000 1.430 555 A CB -1.506 17.450 19.000 -0.073 0.000 1.085 555 A HN 0.389 nan 8.150 nan 0.000 0.597 556 V N -1.232 118.601 119.914 -0.135 0.000 3.096 556 V HA 0.887 5.007 4.120 -0.000 0.000 0.319 556 V C 0.668 176.774 176.094 0.020 0.000 1.082 556 V CA -0.818 61.440 62.300 -0.070 0.000 1.022 556 V CB 0.934 32.653 31.823 -0.173 0.000 1.103 556 V HN 0.932 nan 8.190 nan 0.000 0.455 557 A N 1.020 123.913 122.820 0.121 0.000 2.445 557 A HA 0.612 4.932 4.320 -0.000 0.000 0.242 557 A C 0.928 178.648 177.584 0.227 0.000 1.075 557 A CA 0.301 52.425 52.037 0.145 0.000 0.777 557 A CB -0.413 18.677 19.000 0.151 0.000 1.013 557 A HN 1.965 nan 8.150 nan 0.000 0.493 558 G N 0.026 108.918 108.800 0.154 0.000 2.474 558 G HA2 0.561 4.521 3.960 -0.000 0.000 0.233 558 G HA3 0.561 4.521 3.960 -0.000 0.000 0.233 558 G C 0.485 175.500 174.900 0.193 0.000 1.278 558 G CA 0.630 45.831 45.100 0.168 0.000 0.861 558 G HN 2.006 nan 8.290 nan 0.000 0.567 559 G N 0.442 109.369 108.800 0.211 0.000 2.356 559 G HA2 0.244 4.204 3.960 -0.000 0.000 0.288 559 G HA3 0.244 4.204 3.960 -0.000 0.000 0.288 559 G C -1.284 173.631 174.900 0.026 0.000 1.302 559 G CA -0.774 44.352 45.100 0.043 0.000 0.887 559 G HN 0.846 nan 8.290 nan 0.000 0.521 560 N N -0.695 117.908 118.700 -0.161 0.000 2.421 560 N HA 0.728 5.467 4.740 -0.000 0.000 0.285 560 N C -1.344 174.027 175.510 -0.232 0.000 1.027 560 N CA -0.319 52.697 53.050 -0.058 0.000 0.918 560 N CB 0.865 39.322 38.487 -0.051 0.000 1.152 560 N HN 0.458 nan 8.380 nan 0.000 0.485 561 Y N 0.892 121.327 120.300 0.224 0.000 2.524 561 Y HA 0.452 5.002 4.550 0.000 0.000 0.344 561 Y C -0.061 175.969 175.900 0.217 0.000 1.012 561 Y CA -1.040 57.205 58.100 0.241 0.000 1.068 561 Y CB 1.422 40.105 38.460 0.371 0.000 1.249 561 Y HN 0.451 nan 8.280 nan 0.000 0.468 562 N N 1.715 120.585 118.700 0.283 0.000 2.498 562 N HA 0.475 5.215 4.740 -0.000 0.000 0.287 562 N C -1.052 174.535 175.510 0.129 0.000 1.097 562 N CA -0.313 52.845 53.050 0.181 0.000 0.973 562 N CB 1.168 39.716 38.487 0.102 0.000 1.153 562 N HN 0.500 nan 8.380 nan 0.000 0.472 563 I N 0.840 121.441 120.570 0.051 0.000 2.441 563 I HA 0.387 4.557 4.170 -0.000 0.000 0.295 563 I C 0.215 176.297 176.117 -0.058 0.000 0.994 563 I CA -0.577 60.634 61.300 -0.148 0.000 1.144 563 I CB 1.541 39.336 38.000 -0.341 0.000 1.314 563 I HN 0.245 nan 8.210 nan 0.000 0.445 564 K N 5.321 125.677 120.400 -0.073 0.000 2.527 564 K HA 0.715 5.035 4.320 -0.000 0.000 0.260 564 K C -1.609 175.025 176.600 0.057 0.000 0.937 564 K CA -0.656 55.631 56.287 -0.001 0.000 0.826 564 K CB 2.701 35.193 32.500 -0.013 0.000 1.359 564 K HN 0.442 nan 8.250 nan 0.000 0.434 565 V N -0.492 119.450 119.914 0.047 0.000 2.960 565 V HA 0.997 5.117 4.120 -0.000 0.000 0.315 565 V C -1.293 174.920 176.094 0.199 0.000 1.087 565 V CA -0.587 61.760 62.300 0.078 0.000 0.982 565 V CB 1.622 33.321 31.823 -0.206 0.000 1.039 565 V HN 0.882 nan 8.190 nan 0.000 0.437 566 A N 2.959 125.957 122.820 0.297 0.000 2.374 566 A HA 0.794 5.114 4.320 -0.000 0.000 0.305 566 A C -0.196 177.558 177.584 0.282 0.000 1.053 566 A CA -0.676 51.521 52.037 0.266 0.000 0.726 566 A CB 1.073 20.248 19.000 0.292 0.000 1.229 566 A HN 1.366 nan 8.150 nan 0.000 0.431 567 N N 1.701 120.555 118.700 0.257 0.000 2.255 567 N HA 0.295 5.035 4.740 -0.000 0.000 0.253 567 N C 1.192 176.726 175.510 0.040 0.000 1.313 567 N CA 0.222 53.422 53.050 0.251 0.000 0.912 567 N CB 0.179 38.820 38.487 0.257 0.000 1.145 567 N HN 0.678 nan 8.380 nan 0.000 0.511 568 A N -1.037 121.747 122.820 -0.061 0.000 2.024 568 A HA 0.027 4.347 4.320 -0.000 0.000 0.220 568 A C 1.959 179.515 177.584 -0.047 0.000 1.164 568 A CA 1.880 53.842 52.037 -0.126 0.000 0.643 568 A CB -1.290 17.612 19.000 -0.163 0.000 0.806 568 A HN 0.878 nan 8.150 nan 0.000 0.451 569 A N -2.114 120.707 122.820 0.002 0.000 2.251 569 A HA 0.431 4.750 4.320 -0.000 0.000 0.209 569 A C 1.728 179.328 177.584 0.026 0.000 1.187 569 A CA 1.130 53.173 52.037 0.011 0.000 0.823 569 A CB -0.755 18.259 19.000 0.023 0.000 0.846 569 A HN 1.816 nan 8.150 nan 0.000 0.486 570 G N -1.570 107.256 108.800 0.042 0.000 2.176 570 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 570 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 570 G C 0.357 175.299 174.900 0.069 0.000 0.986 570 G CA 0.279 45.415 45.100 0.060 0.000 0.643 570 G HN 0.574 nan 8.290 nan 0.000 0.522 571 T N 1.872 116.471 114.554 0.075 0.000 2.779 571 T HA 0.597 4.947 4.350 -0.000 0.000 0.296 571 T C 0.723 175.480 174.700 0.094 0.000 0.938 571 T CA 0.646 62.788 62.100 0.071 0.000 1.119 571 T CB 1.463 70.374 68.868 0.071 0.000 0.891 571 T HN 1.239 nan 8.240 nan 0.000 0.526 572 A N 3.603 126.462 122.820 0.064 0.000 2.302 572 A HA 0.690 5.010 4.320 -0.000 0.000 0.285 572 A C 0.830 178.449 177.584 0.058 0.000 1.105 572 A CA -0.742 51.331 52.037 0.061 0.000 0.816 572 A CB 0.436 19.429 19.000 -0.010 0.000 1.067 572 A HN 0.869 nan 8.150 nan 0.000 0.489 573 S N 1.385 117.128 115.700 0.072 0.000 2.666 573 S HA 0.406 4.876 4.470 -0.000 0.000 0.279 573 S C 0.221 174.845 174.600 0.040 0.000 1.149 573 S CA -0.586 57.657 58.200 0.072 0.000 1.020 573 S CB 0.165 63.438 63.200 0.122 0.000 1.127 573 S HN 0.904 nan 8.310 nan 0.000 0.537 574 N N -0.202 118.523 118.700 0.043 0.000 2.424 574 N HA 0.211 4.951 4.740 -0.000 0.000 0.257 574 N C -0.594 174.949 175.510 0.056 0.000 1.250 574 N CA -0.544 52.527 53.050 0.036 0.000 0.946 574 N CB 0.053 38.562 38.487 0.037 0.000 1.175 574 N HN 0.429 nan 8.380 nan 0.000 0.477 575 V N 0.849 120.790 119.914 0.044 0.000 2.546 575 V HA 0.100 4.220 4.120 -0.000 0.000 0.284 575 V C -0.716 175.436 176.094 0.097 0.000 1.050 575 V CA -0.552 61.781 62.300 0.055 0.000 0.981 575 V CB 0.040 31.877 31.823 0.024 0.000 0.990 575 V HN 0.634 nan 8.190 nan 0.000 0.474 576 Y N 5.431 125.729 120.300 -0.004 0.000 2.342 576 Y HA 0.423 4.973 4.550 0.000 0.000 0.338 576 Y C 0.293 176.214 175.900 0.035 0.000 0.965 576 Y CA -1.004 57.102 58.100 0.010 0.000 1.159 576 Y CB 0.773 39.224 38.460 -0.016 0.000 1.157 576 Y HN 0.848 nan 8.280 nan 0.000 0.486 577 D N 2.469 122.799 120.400 -0.117 0.000 2.549 577 D HA 0.191 4.831 4.640 -0.000 0.000 0.270 577 D C -0.098 176.241 176.300 0.065 0.000 1.181 577 D CA -0.669 53.339 54.000 0.013 0.000 1.070 577 D CB 0.874 41.646 40.800 -0.047 0.000 1.154 577 D HN 0.575 nan 8.370 nan 0.000 0.602 578 N N -2.417 116.342 118.700 0.099 0.000 2.829 578 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 578 N C -1.306 174.297 175.510 0.155 0.000 1.090 578 N CA 0.183 53.285 53.050 0.087 0.000 0.781 578 N CB -1.979 36.520 38.487 0.021 0.000 1.124 578 N HN 0.432 nan 8.380 nan 0.000 0.559 579 F N 1.745 121.791 119.950 0.160 0.000 2.424 579 F HA 0.371 4.898 4.527 -0.000 0.000 0.356 579 F C 0.664 176.603 175.800 0.231 0.000 1.110 579 F CA -0.442 57.681 58.000 0.205 0.000 1.161 579 F CB 0.690 39.838 39.000 0.246 0.000 1.115 579 F HN 0.114 nan 8.300 nan 0.000 0.507 580 E N 5.606 125.420 120.200 -0.643 0.000 2.109 580 E HA 0.379 4.729 4.350 -0.000 0.000 0.278 580 E C -1.453 174.983 176.600 -0.273 0.000 0.954 580 E CA -0.722 55.516 56.400 -0.269 0.000 0.779 580 E CB 1.256 30.830 29.700 -0.210 0.000 1.093 580 E HN 0.496 nan 8.360 nan 0.000 0.401 581 V N 6.577 126.570 119.914 0.131 0.000 2.406 581 V HA 0.177 4.296 4.120 -0.000 0.000 0.272 581 V C 0.488 176.628 176.094 0.078 0.000 1.043 581 V CA -0.416 61.976 62.300 0.152 0.000 0.915 581 V CB 0.758 32.706 31.823 0.207 0.000 0.988 581 V HN 0.702 nan 8.190 nan 0.000 0.466 582 L N 3.596 124.832 121.223 0.022 0.000 2.453 582 L HA 0.228 4.568 4.340 -0.000 0.000 0.261 582 L C 1.515 178.401 176.870 0.027 0.000 1.179 582 L CA 0.005 54.853 54.840 0.012 0.000 0.813 582 L CB 0.816 42.870 42.059 -0.008 0.000 1.110 582 L HN 0.612 nan 8.230 nan 0.000 0.466 583 S N 0.107 115.821 115.700 0.025 0.000 2.561 583 S HA 0.210 4.680 4.470 -0.000 0.000 0.225 583 S C 0.477 175.086 174.600 0.015 0.000 0.977 583 S CA 0.597 58.812 58.200 0.026 0.000 0.926 583 S CB 0.095 63.310 63.200 0.025 0.000 0.769 583 S HN 0.933 nan 8.310 nan 0.000 0.533 584 G N 0.353 109.158 108.800 0.010 0.000 2.344 584 G HA2 0.140 4.100 3.960 -0.000 0.000 0.282 584 G HA3 0.140 4.100 3.960 -0.000 0.000 0.282 584 G C -2.210 172.691 174.900 0.002 0.000 1.281 584 G CA -0.927 44.175 45.100 0.005 0.000 0.877 584 G HN 0.103 nan 8.290 nan 0.000 0.494 585 D N 0.720 121.120 120.400 0.001 0.000 2.361 585 D HA 0.369 5.009 4.640 -0.000 0.000 0.239 585 D C -0.019 176.284 176.300 0.004 0.000 1.200 585 D CA 0.415 54.413 54.000 -0.002 0.000 0.915 585 D CB 0.748 41.546 40.800 -0.004 0.000 1.170 585 D HN 0.304 nan 8.370 nan 0.000 0.444 586 Q N 0.012 119.811 119.800 -0.002 0.000 2.399 586 Q HA 0.586 4.926 4.340 -0.000 0.000 0.276 586 Q C -0.417 175.601 176.000 0.030 0.000 1.098 586 Q CA -1.030 54.782 55.803 0.015 0.000 0.827 586 Q CB 2.477 31.214 28.738 -0.002 0.000 1.386 586 Q HN 0.359 nan 8.270 nan 0.000 0.443 587 V N -2.359 117.596 119.914 0.068 0.000 2.962 587 V HA 0.684 4.804 4.120 -0.000 0.000 0.313 587 V C -0.376 175.804 176.094 0.144 0.000 1.099 587 V CA -0.929 61.432 62.300 0.103 0.000 0.971 587 V CB 1.951 33.841 31.823 0.112 0.000 1.028 587 V HN 0.700 nan 8.190 nan 0.000 0.430 588 S N 1.921 117.735 115.700 0.190 0.000 2.430 588 S HA 0.721 5.191 4.470 -0.000 0.000 0.289 588 S C -0.569 174.169 174.600 0.230 0.000 1.143 588 S CA -0.322 58.025 58.200 0.245 0.000 1.067 588 S CB 0.596 64.025 63.200 0.381 0.000 0.964 588 S HN 0.853 nan 8.310 nan 0.000 0.485 589 V N 5.971 126.014 119.914 0.216 0.000 2.680 589 V HA 0.556 4.676 4.120 -0.000 0.000 0.309 589 V C 0.127 176.278 176.094 0.095 0.000 1.052 589 V CA -1.028 61.327 62.300 0.091 0.000 0.908 589 V CB 1.915 33.736 31.823 -0.003 0.000 1.001 589 V HN 0.861 nan 8.190 nan 0.000 0.431 590 R N 3.102 123.601 120.500 -0.002 0.000 2.229 590 R HA 0.508 4.848 4.340 -0.000 0.000 0.328 590 R C -1.667 174.585 176.300 -0.080 0.000 1.009 590 R CA -0.317 55.838 56.100 0.091 0.000 0.864 590 R CB 0.604 30.981 30.300 0.128 0.000 1.085 590 R HN 0.483 nan 8.270 nan 0.000 0.453 591 F N 3.836 123.776 119.950 -0.016 0.000 2.420 591 F HA 0.381 4.907 4.527 -0.000 0.000 0.342 591 F C -0.164 175.640 175.800 0.007 0.000 1.113 591 F CA -0.623 57.345 58.000 -0.053 0.000 1.059 591 F CB 1.997 40.986 39.000 -0.019 0.000 1.128 591 F HN 0.118 nan 8.300 nan 0.000 0.475 592 V N 4.410 124.345 119.914 0.036 0.000 2.487 592 V HA 0.490 4.610 4.120 -0.000 0.000 0.298 592 V C -0.893 175.105 176.094 -0.160 0.000 1.028 592 V CA -0.917 61.283 62.300 -0.165 0.000 0.860 592 V CB 1.973 33.488 31.823 -0.513 0.000 0.991 592 V HN 0.523 nan 8.190 nan 0.000 0.427 593 V N 5.979 125.738 119.914 -0.258 0.000 2.409 593 V HA 0.547 4.667 4.120 -0.000 0.000 0.291 593 V C -0.261 175.765 176.094 -0.114 0.000 1.020 593 V CA -0.484 61.591 62.300 -0.374 0.000 0.848 593 V CB 1.703 32.905 31.823 -1.034 0.000 0.990 593 V HN 0.940 nan 8.190 nan 0.000 0.430 594 N N 5.801 124.477 118.700 -0.039 0.000 2.498 594 N HA 0.320 5.060 4.740 -0.000 0.000 0.287 594 N C -0.339 175.202 175.510 0.052 0.000 1.097 594 N CA -0.259 52.801 53.050 0.017 0.000 0.973 594 N CB 0.813 39.316 38.487 0.028 0.000 1.153 594 N HN 0.807 nan 8.380 nan 0.000 0.472 595 N N -0.506 118.196 118.700 0.003 0.000 2.696 595 N HA -0.195 4.545 4.740 -0.000 0.000 0.256 595 N C -0.961 174.491 175.510 -0.096 0.000 1.031 595 N CA 0.378 53.402 53.050 -0.043 0.000 0.730 595 N CB -1.305 37.185 38.487 0.005 0.000 0.894 595 N HN 0.628 nan 8.380 nan 0.000 0.544 596 A N 0.503 123.224 122.820 -0.165 0.000 2.654 596 A HA 0.470 4.790 4.320 -0.000 0.000 0.345 596 A C 0.851 178.244 177.584 -0.319 0.000 1.368 596 A CA -0.287 51.465 52.037 -0.475 0.000 0.895 596 A CB 0.259 18.951 19.000 -0.514 0.000 1.143 596 A HN 0.368 nan 8.150 nan 0.000 0.490 597 T N 0.386 114.757 114.554 -0.304 0.000 2.907 597 T HA 0.590 4.940 4.350 -0.000 0.000 0.298 597 T C 0.391 175.111 174.700 0.033 0.000 1.017 597 T CA 0.278 62.338 62.100 -0.067 0.000 1.118 597 T CB 0.947 69.809 68.868 -0.009 0.000 0.948 597 T HN 0.859 nan 8.240 nan 0.000 0.531 598 T N -0.872 113.878 114.554 0.327 0.000 2.887 598 T HA 0.796 5.146 4.350 -0.000 0.000 0.292 598 T C -0.135 174.656 174.700 0.150 0.000 1.087 598 T CA -0.901 61.296 62.100 0.162 0.000 1.009 598 T CB 1.385 70.390 68.868 0.229 0.000 1.203 598 T HN 1.051 nan 8.240 nan 0.000 0.518 599 A N 0.790 123.655 122.820 0.076 0.000 2.252 599 A HA 0.741 5.061 4.320 -0.000 0.000 0.305 599 A C 0.198 177.812 177.584 0.049 0.000 1.097 599 A CA -0.987 51.081 52.037 0.052 0.000 0.849 599 A CB 0.001 19.022 19.000 0.035 0.000 1.142 599 A HN 0.909 nan 8.150 nan 0.000 0.499 600 L N 0.641 121.879 121.223 0.026 0.000 2.514 600 L HA 0.322 4.662 4.340 -0.000 0.000 0.280 600 L C 1.573 178.466 176.870 0.039 0.000 1.223 600 L CA 1.438 56.291 54.840 0.021 0.000 0.864 600 L CB 0.111 42.174 42.059 0.007 0.000 1.118 600 L HN 1.250 nan 8.230 nan 0.000 0.494 601 G N 1.850 110.682 108.800 0.052 0.000 2.162 601 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 601 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 601 G C 0.084 175.028 174.900 0.073 0.000 0.976 601 G CA 0.359 45.495 45.100 0.060 0.000 0.655 601 G HN 0.649 nan 8.290 nan 0.000 0.533 602 Q N 0.282 120.131 119.800 0.081 0.000 2.322 602 Q HA 0.566 4.906 4.340 -0.000 0.000 0.265 602 Q C -0.678 175.373 176.000 0.086 0.000 0.985 602 Q CA -0.856 54.990 55.803 0.071 0.000 0.849 602 Q CB 0.719 29.480 28.738 0.039 0.000 1.274 602 Q HN 0.308 nan 8.270 nan 0.000 0.449 603 N N 1.847 120.580 118.700 0.055 0.000 2.328 603 N HA 0.432 5.172 4.740 -0.000 0.000 0.299 603 N C -1.203 174.095 175.510 -0.353 0.000 1.179 603 N CA -0.446 52.524 53.050 -0.133 0.000 0.793 603 N CB 2.177 40.621 38.487 -0.072 0.000 1.366 603 N HN 0.311 nan 8.380 nan 0.000 0.493 604 V N 1.872 121.223 119.914 -0.939 0.000 2.567 604 V HA 0.400 4.520 4.120 -0.000 0.000 0.289 604 V C -0.851 174.931 176.094 -0.520 0.000 1.049 604 V CA -0.144 61.735 62.300 -0.702 0.000 0.969 604 V CB 0.233 31.345 31.823 -1.186 0.000 0.995 604 V HN 0.514 nan 8.190 nan 0.000 0.471 605 Y N 3.441 123.642 120.300 -0.164 0.000 2.634 605 Y HA 0.752 5.302 4.550 -0.000 0.000 0.340 605 Y C -0.347 175.526 175.900 -0.045 0.000 1.058 605 Y CA -1.089 56.924 58.100 -0.145 0.000 1.081 605 Y CB 1.906 40.257 38.460 -0.182 0.000 1.295 605 Y HN 0.526 nan 8.280 nan 0.000 0.487 606 L N 0.646 121.864 121.223 -0.008 0.000 2.362 606 L HA 0.877 5.217 4.340 -0.000 0.000 0.271 606 L C -0.583 176.131 176.870 -0.261 0.000 1.002 606 L CA 0.059 54.751 54.840 -0.246 0.000 0.818 606 L CB 2.183 43.995 42.059 -0.413 0.000 1.298 606 L HN 0.699 nan 8.230 nan 0.000 0.420 607 T N 2.279 116.666 114.554 -0.279 0.000 2.841 607 T HA 0.945 5.294 4.350 -0.000 0.000 0.296 607 T C -0.723 173.712 174.700 -0.441 0.000 1.166 607 T CA -0.031 61.910 62.100 -0.263 0.000 1.007 607 T CB 1.549 70.356 68.868 -0.102 0.000 1.253 607 T HN 1.152 nan 8.240 nan 0.000 0.511 608 G N 0.208 108.527 108.800 -0.801 0.000 2.428 608 G HA2 0.391 4.351 3.960 -0.000 0.000 0.304 608 G HA3 0.391 4.351 3.960 -0.000 0.000 0.304 608 G C 0.393 174.451 174.900 -1.405 0.000 1.303 608 G CA 0.321 44.651 45.100 -1.283 0.000 0.825 608 G HN 1.128 nan 8.290 nan 0.000 0.484 609 S N -1.359 113.828 115.700 -0.855 0.000 2.720 609 S HA 0.319 4.789 4.470 -0.000 0.000 0.222 609 S C 0.760 175.291 174.600 -0.116 0.000 0.958 609 S CA 0.839 58.865 58.200 -0.290 0.000 0.943 609 S CB -1.028 62.308 63.200 0.228 0.000 0.779 609 S HN 1.838 nan 8.310 nan 0.000 0.526 610 V N -1.776 118.044 119.914 -0.157 0.000 3.040 610 V HA 0.660 4.780 4.120 -0.000 0.000 0.312 610 V C 1.211 177.261 176.094 -0.075 0.000 1.115 610 V CA -0.439 61.827 62.300 -0.058 0.000 0.998 610 V CB 1.063 32.877 31.823 -0.015 0.000 1.042 610 V HN 0.213 nan 8.190 nan 0.000 0.433 611 S N 0.202 115.887 115.700 -0.025 0.000 2.400 611 S HA -0.206 4.264 4.470 -0.000 0.000 0.232 611 S C 1.261 175.839 174.600 -0.037 0.000 1.025 611 S CA 1.745 59.931 58.200 -0.023 0.000 0.993 611 S CB -0.628 62.580 63.200 0.014 0.000 0.808 611 S HN 0.903 nan 8.310 nan 0.000 0.478 612 E N 0.528 120.711 120.200 -0.028 0.000 2.401 612 E HA 0.107 4.457 4.350 -0.000 0.000 0.199 612 E C 0.921 177.485 176.600 -0.060 0.000 1.023 612 E CA 0.480 56.865 56.400 -0.024 0.000 0.859 612 E CB -0.144 29.561 29.700 0.007 0.000 0.780 612 E HN 0.385 nan 8.360 nan 0.000 0.523 613 L N -1.519 119.638 121.223 -0.110 0.000 3.069 613 L HA 0.362 4.702 4.340 -0.000 0.000 0.271 613 L C 1.110 177.867 176.870 -0.188 0.000 1.201 613 L CA 0.585 55.316 54.840 -0.183 0.000 1.015 613 L CB 0.687 42.591 42.059 -0.258 0.000 1.371 613 L HN 0.157 nan 8.230 nan 0.000 0.574 614 G N -0.119 108.604 108.800 -0.129 0.000 2.157 614 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.248 614 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.248 614 G C 0.523 175.373 174.900 -0.084 0.000 0.979 614 G CA 0.069 45.114 45.100 -0.091 0.000 0.650 614 G HN 0.254 nan 8.290 nan 0.000 0.529 615 N N -1.026 117.580 118.700 -0.156 0.000 2.688 615 N HA -0.237 4.503 4.740 -0.000 0.000 0.258 615 N C 0.996 176.522 175.510 0.027 0.000 1.016 615 N CA 1.916 54.888 53.050 -0.129 0.000 0.747 615 N CB -1.587 36.906 38.487 0.010 0.000 0.895 615 N HN 1.263 nan 8.380 nan 0.000 0.543 616 W N -3.135 118.228 121.300 0.105 0.000 2.323 616 W HA -0.269 4.391 4.660 -0.000 0.000 0.261 616 W C 0.397 177.049 176.519 0.222 0.000 1.029 616 W CA 0.457 57.916 57.345 0.190 0.000 0.499 616 W CB -1.317 28.217 29.460 0.125 0.000 2.045 616 W HN 0.289 nan 8.180 nan 0.000 1.374 617 D N 0.734 121.284 120.400 0.250 0.000 2.365 617 D HA 0.170 4.810 4.640 -0.000 0.000 0.237 617 D C -0.828 175.515 176.300 0.072 0.000 1.190 617 D CA -2.031 52.067 54.000 0.163 0.000 0.867 617 D CB 1.131 41.980 40.800 0.081 0.000 1.050 617 D HN -0.172 nan 8.370 nan 0.000 0.491 618 P HA -0.106 nan 4.420 nan 0.000 0.218 618 P C 0.960 178.174 177.300 -0.143 0.000 1.148 618 P CA 0.882 63.915 63.100 -0.112 0.000 0.822 618 P CB 0.145 31.761 31.700 -0.140 0.000 0.784 619 A N -0.326 122.452 122.820 -0.070 0.000 2.121 619 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 619 A C 1.827 179.365 177.584 -0.077 0.000 1.154 619 A CA 1.328 53.316 52.037 -0.082 0.000 0.679 619 A CB -0.830 18.146 19.000 -0.039 0.000 0.795 619 A HN 0.196 nan 8.150 nan 0.000 0.458 620 K N -0.439 119.925 120.400 -0.060 0.000 2.478 620 K HA 0.413 4.733 4.320 -0.000 0.000 0.205 620 K C 0.280 176.844 176.600 -0.059 0.000 1.033 620 K CA 0.111 56.369 56.287 -0.048 0.000 1.091 620 K CB 0.674 33.154 32.500 -0.033 0.000 0.844 620 K HN 0.386 nan 8.250 nan 0.000 0.507 621 A N 1.312 124.076 122.820 -0.093 0.000 2.466 621 A HA 0.197 4.517 4.320 -0.000 0.000 0.238 621 A C 0.149 177.742 177.584 0.014 0.000 1.074 621 A CA -0.114 51.875 52.037 -0.079 0.000 0.774 621 A CB 0.155 19.070 19.000 -0.143 0.000 1.015 621 A HN 0.122 nan 8.150 nan 0.000 0.498 622 I N 1.365 121.920 120.570 -0.026 0.000 2.395 622 I HA 0.616 4.786 4.170 -0.000 0.000 0.289 622 I C 0.981 176.996 176.117 -0.170 0.000 1.023 622 I CA 0.995 62.256 61.300 -0.065 0.000 1.350 622 I CB -0.138 37.774 38.000 -0.146 0.000 1.409 622 I HN 1.030 nan 8.210 nan 0.000 0.507 623 G N 7.750 116.368 108.800 -0.304 0.000 2.350 623 G HA2 0.167 4.127 3.960 -0.000 0.000 0.282 623 G HA3 0.167 4.127 3.960 -0.000 0.000 0.282 623 G C -3.226 171.422 174.900 -0.421 0.000 1.314 623 G CA -0.830 43.829 45.100 -0.734 0.000 0.915 623 G HN 0.373 nan 8.290 nan 0.000 0.499 624 P HA 0.416 nan 4.420 nan 0.000 0.272 624 P C 0.277 177.202 177.300 -0.625 0.000 1.223 624 P CA -0.057 62.531 63.100 -0.853 0.000 0.784 624 P CB 0.382 31.852 31.700 -0.383 0.000 0.923 625 M N 1.258 120.556 119.600 -0.502 0.000 2.157 625 M HA 0.175 4.655 4.480 -0.000 0.000 0.304 625 M C 0.128 176.542 176.300 0.190 0.000 1.171 625 M CA 0.211 55.355 55.300 -0.259 0.000 1.157 625 M CB 0.001 32.581 32.600 -0.034 0.000 1.403 625 M HN 0.245 nan 8.290 nan 0.000 0.473 626 Y N 1.390 121.682 120.300 -0.013 0.000 2.335 626 Y HA 0.263 4.813 4.550 -0.000 0.000 0.323 626 Y C 0.555 176.283 175.900 -0.288 0.000 1.224 626 Y CA -1.405 56.522 58.100 -0.289 0.000 1.241 626 Y CB 0.537 38.502 38.460 -0.826 0.000 1.235 626 Y HN 0.699 nan 8.280 nan 0.000 0.492 627 N N -1.058 117.606 118.700 -0.059 0.000 2.330 627 N HA 0.110 4.850 4.740 -0.000 0.000 0.249 627 N C -0.305 175.172 175.510 -0.054 0.000 1.413 627 N CA -0.103 52.855 53.050 -0.155 0.000 0.817 627 N CB -0.023 37.949 38.487 -0.858 0.000 1.362 627 N HN 0.602 nan 8.380 nan 0.000 0.499 628 Q N -0.387 119.439 119.800 0.043 0.000 2.652 628 Q HA 0.329 4.669 4.340 -0.000 0.000 0.211 628 Q C 1.283 177.274 176.000 -0.014 0.000 0.858 628 Q CA 0.539 56.328 55.803 -0.023 0.000 0.895 628 Q CB 0.579 29.273 28.738 -0.072 0.000 1.194 628 Q HN 0.089 nan 8.270 nan 0.000 0.645 629 V N 0.247 120.167 119.914 0.010 0.000 2.251 629 V HA -0.155 3.965 4.120 -0.000 0.000 0.237 629 V C 2.082 178.028 176.094 -0.246 0.000 1.040 629 V CA 1.494 63.740 62.300 -0.088 0.000 1.005 629 V CB -0.568 31.215 31.823 -0.067 0.000 0.645 629 V HN 0.145 nan 8.190 nan 0.000 0.458 630 V N -1.846 117.771 119.914 -0.493 0.000 2.379 630 V HA -0.072 4.048 4.120 -0.000 0.000 0.245 630 V C 0.668 176.204 176.094 -0.930 0.000 1.044 630 V CA 1.340 63.135 62.300 -0.841 0.000 1.036 630 V CB -0.568 30.609 31.823 -1.077 0.000 0.664 630 V HN 0.486 nan 8.190 nan 0.000 0.453 631 Y N -1.008 118.941 120.300 -0.585 0.000 2.499 631 Y HA 0.693 5.243 4.550 -0.000 0.000 0.347 631 Y C -0.126 175.733 175.900 -0.068 0.000 0.987 631 Y CA -1.378 56.584 58.100 -0.230 0.000 1.044 631 Y CB 1.472 39.857 38.460 -0.125 0.000 1.245 631 Y HN 0.026 nan 8.280 nan 0.000 0.461 632 Q N 0.799 120.632 119.800 0.054 0.000 2.266 632 Q HA 0.299 4.639 4.340 -0.000 0.000 0.261 632 Q C -1.215 174.777 176.000 -0.013 0.000 0.985 632 Q CA -0.995 54.814 55.803 0.009 0.000 0.873 632 Q CB 1.193 29.920 28.738 -0.018 0.000 1.306 632 Q HN 0.606 nan 8.270 nan 0.000 0.447 633 Y N 3.650 123.810 120.300 -0.232 0.000 2.788 633 Y HA 0.052 4.602 4.550 -0.000 0.000 0.341 633 Y C -1.395 174.433 175.900 -0.120 0.000 1.258 633 Y CA -0.900 57.009 58.100 -0.319 0.000 1.503 633 Y CB 0.690 38.936 38.460 -0.356 0.000 1.325 633 Y HN 0.548 nan 8.280 nan 0.000 0.614 634 P HA 0.102 nan 4.420 nan 0.000 0.249 634 P C -1.262 175.837 177.300 -0.336 0.000 1.544 634 P CA 0.188 62.626 63.100 -1.105 0.000 0.932 634 P CB -0.078 31.123 31.700 -0.831 0.000 1.524 635 N N 0.478 119.059 118.700 -0.198 0.000 2.430 635 N HA 0.273 5.013 4.740 -0.000 0.000 0.292 635 N C -0.841 174.671 175.510 0.002 0.000 1.051 635 N CA -0.029 53.026 53.050 0.008 0.000 0.917 635 N CB 0.788 39.323 38.487 0.079 0.000 1.164 635 N HN 0.039 nan 8.380 nan 0.000 0.484 636 W N 1.726 123.014 121.300 -0.019 0.000 2.844 636 W HA 0.449 5.109 4.660 -0.000 0.000 0.340 636 W C -0.325 176.251 176.519 0.096 0.000 1.093 636 W CA -0.668 56.707 57.345 0.050 0.000 1.212 636 W CB 0.719 30.140 29.460 -0.066 0.000 1.422 636 W HN 0.434 nan 8.180 nan 0.000 0.515 637 Y N -0.150 120.288 120.300 0.231 0.000 2.644 637 Y HA 0.836 5.386 4.550 -0.000 0.000 0.338 637 Y C -1.932 174.161 175.900 0.323 0.000 1.119 637 Y CA -2.717 55.472 58.100 0.150 0.000 1.060 637 Y CB 1.672 40.144 38.460 0.020 0.000 1.294 637 Y HN 0.445 nan 8.280 nan 0.000 0.472 638 Y N 0.422 120.793 120.300 0.119 0.000 2.457 638 Y HA 0.285 4.835 4.550 -0.000 0.000 0.322 638 Y C -1.946 174.073 175.900 0.199 0.000 1.218 638 Y CA -1.502 56.591 58.100 -0.011 0.000 1.116 638 Y CB 1.561 39.949 38.460 -0.120 0.000 1.335 638 Y HN 0.794 nan 8.280 nan 0.000 0.452 639 D N 4.404 124.681 120.400 -0.205 0.000 2.280 639 D HA 0.520 5.160 4.640 -0.000 0.000 0.243 639 D C -0.838 175.509 176.300 0.078 0.000 1.129 639 D CA 0.119 54.162 54.000 0.071 0.000 0.848 639 D CB 1.869 42.759 40.800 0.150 0.000 1.107 639 D HN 0.192 nan 8.370 nan 0.000 0.471 640 V N 1.367 121.433 119.914 0.253 0.000 2.604 640 V HA 0.269 4.389 4.120 -0.000 0.000 0.305 640 V C 0.349 176.583 176.094 0.233 0.000 1.043 640 V CA -0.896 61.550 62.300 0.244 0.000 0.888 640 V CB 2.067 34.007 31.823 0.195 0.000 0.995 640 V HN 0.455 nan 8.190 nan 0.000 0.429 641 S N 3.556 119.353 115.700 0.162 0.000 2.474 641 S HA 0.607 5.077 4.470 -0.000 0.000 0.276 641 S C -0.423 174.252 174.600 0.124 0.000 1.227 641 S CA -0.393 57.880 58.200 0.123 0.000 1.050 641 S CB 0.421 63.658 63.200 0.062 0.000 0.939 641 S HN 1.028 nan 8.310 nan 0.000 0.490 642 V N 3.150 123.154 119.914 0.150 0.000 3.040 642 V HA 0.806 4.926 4.120 -0.000 0.000 0.312 642 V C -2.908 173.246 176.094 0.100 0.000 1.115 642 V CA -2.931 59.459 62.300 0.151 0.000 0.998 642 V CB 1.665 33.657 31.823 0.282 0.000 1.042 642 V HN 0.638 nan 8.190 nan 0.000 0.433 643 P HA 0.302 nan 4.420 nan 0.000 0.271 643 P C -0.042 177.274 177.300 0.026 0.000 1.226 643 P CA 0.428 63.549 63.100 0.035 0.000 0.765 643 P CB 0.713 32.426 31.700 0.021 0.000 0.835 644 A N 3.509 126.343 122.820 0.023 0.000 2.511 644 A HA 0.432 4.752 4.320 -0.000 0.000 0.242 644 A C 1.575 179.155 177.584 -0.007 0.000 1.069 644 A CA 0.571 52.618 52.037 0.017 0.000 0.763 644 A CB -1.243 17.769 19.000 0.020 0.000 1.001 644 A HN 0.860 nan 8.150 nan 0.000 0.498 645 G N 1.467 110.254 108.800 -0.021 0.000 2.166 645 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 645 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 645 G C 0.245 175.107 174.900 -0.064 0.000 0.986 645 G CA 0.956 46.034 45.100 -0.037 0.000 0.683 645 G HN 0.837 nan 8.290 nan 0.000 0.527 646 K N 0.286 120.632 120.400 -0.091 0.000 2.110 646 K HA 0.498 4.818 4.320 -0.000 0.000 0.263 646 K C -0.186 176.300 176.600 -0.190 0.000 0.975 646 K CA -0.407 55.821 56.287 -0.098 0.000 0.895 646 K CB 1.243 33.711 32.500 -0.054 0.000 1.060 646 K HN 0.065 nan 8.250 nan 0.000 0.448 647 T N 3.019 117.499 114.554 -0.122 0.000 2.728 647 T HA 0.419 4.769 4.350 -0.000 0.000 0.296 647 T C 0.087 174.757 174.700 -0.051 0.000 0.940 647 T CA -0.352 61.673 62.100 -0.124 0.000 1.013 647 T CB 0.024 68.866 68.868 -0.044 0.000 0.912 647 T HN 0.319 nan 8.240 nan 0.000 0.484 648 I N 2.628 123.170 120.570 -0.047 0.000 2.545 648 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 648 I C 0.119 176.472 176.117 0.393 0.000 1.040 648 I CA -0.841 60.556 61.300 0.161 0.000 1.068 648 I CB 2.451 40.571 38.000 0.200 0.000 1.251 648 I HN 0.457 nan 8.210 nan 0.000 0.424 649 E N 5.484 125.901 120.200 0.361 0.000 2.166 649 E HA 0.600 4.950 4.350 -0.000 0.000 0.275 649 E C -1.451 175.413 176.600 0.441 0.000 0.941 649 E CA -0.543 56.092 56.400 0.392 0.000 0.784 649 E CB 2.043 31.989 29.700 0.411 0.000 1.115 649 E HN 0.407 nan 8.360 nan 0.000 0.399 650 F N 0.276 120.414 119.950 0.313 0.000 2.664 650 F HA 0.741 5.268 4.527 -0.000 0.000 0.317 650 F C -1.031 174.945 175.800 0.293 0.000 1.108 650 F CA -1.150 56.924 58.000 0.123 0.000 0.957 650 F CB 1.536 40.519 39.000 -0.028 0.000 1.365 650 F HN 0.151 nan 8.300 nan 0.000 0.475 651 K N 0.689 121.286 120.400 0.328 0.000 2.551 651 K HA 0.618 4.938 4.320 -0.000 0.000 0.269 651 K C -2.087 174.472 176.600 -0.068 0.000 0.949 651 K CA -0.592 55.853 56.287 0.264 0.000 0.849 651 K CB 2.191 34.994 32.500 0.505 0.000 1.411 651 K HN 0.583 nan 8.250 nan 0.000 0.432 652 F N 2.704 122.801 119.950 0.245 0.000 2.440 652 F HA 0.594 5.121 4.527 -0.000 0.000 0.328 652 F C -0.018 175.859 175.800 0.127 0.000 1.070 652 F CA -0.605 57.509 58.000 0.189 0.000 1.011 652 F CB 1.074 40.255 39.000 0.302 0.000 1.226 652 F HN 0.260 nan 8.300 nan 0.000 0.491 653 L N -0.676 120.746 121.223 0.332 0.000 2.415 653 L HA 0.714 5.054 4.340 -0.000 0.000 0.256 653 L C -1.589 175.402 176.870 0.203 0.000 1.010 653 L CA -1.283 53.651 54.840 0.157 0.000 0.826 653 L CB 2.295 44.103 42.059 -0.418 0.000 1.405 653 L HN 0.405 nan 8.230 nan 0.000 0.410 654 K N 1.522 121.997 120.400 0.125 0.000 2.307 654 K HA 0.587 4.907 4.320 -0.000 0.000 0.263 654 K C -1.222 175.365 176.600 -0.021 0.000 0.973 654 K CA -0.666 55.624 56.287 0.004 0.000 0.846 654 K CB 2.135 34.587 32.500 -0.080 0.000 1.100 654 K HN 0.501 nan 8.250 nan 0.000 0.438 655 K N 2.024 122.434 120.400 0.018 0.000 2.259 655 K HA 0.298 4.618 4.320 -0.000 0.000 0.249 655 K C -0.959 175.649 176.600 0.014 0.000 0.942 655 K CA -0.873 55.365 56.287 -0.083 0.000 0.816 655 K CB 2.206 34.475 32.500 -0.386 0.000 1.155 655 K HN 0.414 nan 8.250 nan 0.000 0.428 656 Q N 1.320 121.108 119.800 -0.020 0.000 2.350 656 Q HA 0.327 4.667 4.340 -0.000 0.000 0.255 656 Q C -0.003 175.992 176.000 -0.009 0.000 0.951 656 Q CA 0.010 55.819 55.803 0.011 0.000 0.751 656 Q CB 1.307 30.054 28.738 0.016 0.000 1.296 656 Q HN 0.850 nan 8.270 nan 0.000 0.453 657 G N 2.295 111.094 108.800 -0.001 0.000 2.591 657 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.298 657 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.298 657 G C 0.457 175.326 174.900 -0.052 0.000 1.195 657 G CA 0.516 45.608 45.100 -0.013 0.000 0.989 657 G HN 1.225 nan 8.290 nan 0.000 0.551 658 S N -0.789 114.884 115.700 -0.046 0.000 2.568 658 S HA 0.490 4.960 4.470 -0.000 0.000 0.232 658 S C 0.601 175.168 174.600 -0.055 0.000 0.975 658 S CA 1.070 59.231 58.200 -0.066 0.000 0.949 658 S CB 0.461 63.634 63.200 -0.045 0.000 0.829 658 S HN 0.915 nan 8.310 nan 0.000 0.479 659 T N 2.285 116.814 114.554 -0.041 0.000 2.780 659 T HA 0.506 4.856 4.350 -0.000 0.000 0.294 659 T C -0.651 174.020 174.700 -0.048 0.000 0.949 659 T CA -0.181 61.905 62.100 -0.022 0.000 1.074 659 T CB 1.420 70.287 68.868 -0.001 0.000 0.910 659 T HN 0.231 nan 8.240 nan 0.000 0.501 660 V N 4.086 123.977 119.914 -0.038 0.000 2.604 660 V HA 0.642 4.762 4.120 -0.000 0.000 0.305 660 V C -0.489 175.590 176.094 -0.024 0.000 1.043 660 V CA -0.381 61.858 62.300 -0.101 0.000 0.888 660 V CB 2.361 34.070 31.823 -0.190 0.000 0.995 660 V HN 0.962 nan 8.190 nan 0.000 0.429 661 T N 6.225 120.760 114.554 -0.032 0.000 2.815 661 T HA 0.423 4.773 4.350 -0.000 0.000 0.289 661 T C -0.903 173.889 174.700 0.153 0.000 1.000 661 T CA -0.086 62.088 62.100 0.123 0.000 0.958 661 T CB 0.592 69.553 68.868 0.156 0.000 0.944 661 T HN 0.650 nan 8.240 nan 0.000 0.442 662 W N 1.847 123.236 121.300 0.148 0.000 2.237 662 W HA 0.376 5.036 4.660 -0.000 0.000 0.335 662 W C 1.016 177.549 176.519 0.024 0.000 1.230 662 W CA -0.715 56.690 57.345 0.099 0.000 1.253 662 W CB 0.443 29.914 29.460 0.019 0.000 1.129 662 W HN 0.572 nan 8.180 nan 0.000 0.590 663 E N 0.653 120.857 120.200 0.007 0.000 2.398 663 E HA 0.251 4.601 4.350 -0.000 0.000 0.263 663 E C 0.616 177.096 176.600 -0.199 0.000 1.046 663 E CA -0.042 56.016 56.400 -0.571 0.000 0.908 663 E CB 0.630 29.957 29.700 -0.623 0.000 0.963 663 E HN 0.616 nan 8.360 nan 0.000 0.431 664 G N 0.972 109.630 108.800 -0.237 0.000 2.543 664 G HA2 0.527 4.487 3.960 -0.000 0.000 0.290 664 G HA3 0.527 4.487 3.960 -0.000 0.000 0.290 664 G C 0.263 175.059 174.900 -0.173 0.000 1.310 664 G CA 0.066 45.094 45.100 -0.120 0.000 1.025 664 G HN 0.848 nan 8.290 nan 0.000 0.502 665 G N -0.947 107.770 108.800 -0.139 0.000 2.593 665 G HA2 0.182 4.141 3.960 -0.000 0.000 0.237 665 G HA3 0.182 4.141 3.960 -0.000 0.000 0.237 665 G C 0.361 175.145 174.900 -0.193 0.000 1.312 665 G CA 0.620 45.626 45.100 -0.156 0.000 0.896 665 G HN 2.044 nan 8.290 nan 0.000 0.574 666 S N 0.079 115.652 115.700 -0.212 0.000 2.690 666 S HA 0.651 5.121 4.470 -0.000 0.000 0.291 666 S C 0.159 174.575 174.600 -0.306 0.000 1.138 666 S CA -0.501 57.567 58.200 -0.219 0.000 1.013 666 S CB 1.454 64.557 63.200 -0.161 0.000 1.053 666 S HN 0.903 nan 8.310 nan 0.000 0.539 667 N N 2.217 120.772 118.700 -0.241 0.000 2.412 667 N HA 0.073 4.813 4.740 -0.000 0.000 0.254 667 N C 0.152 175.469 175.510 -0.323 0.000 1.232 667 N CA 0.339 53.260 53.050 -0.215 0.000 0.880 667 N CB -0.149 38.333 38.487 -0.009 0.000 1.076 667 N HN 0.611 nan 8.380 nan 0.000 0.458 668 H N 0.655 119.516 119.070 -0.348 0.000 2.660 668 H HA 0.297 4.853 4.556 -0.000 0.000 0.374 668 H C 0.197 175.243 175.328 -0.470 0.000 1.291 668 H CA 0.378 56.112 56.048 -0.524 0.000 1.437 668 H CB 0.790 29.913 29.762 -1.065 0.000 1.509 668 H HN 0.365 nan 8.280 nan 0.000 0.614 669 T N 1.292 115.820 114.554 -0.044 0.000 2.868 669 T HA 0.473 4.823 4.350 -0.000 0.000 0.306 669 T C -1.116 173.888 174.700 0.507 0.000 1.224 669 T CA -0.740 61.496 62.100 0.226 0.000 1.012 669 T CB 1.687 70.642 68.868 0.144 0.000 1.221 669 T HN 0.563 nan 8.240 nan 0.000 0.499 670 F N -1.002 119.116 119.950 0.280 0.000 2.829 670 F HA 0.624 5.151 4.527 -0.000 0.000 0.319 670 F C -1.952 173.953 175.800 0.175 0.000 1.153 670 F CA -0.801 57.339 58.000 0.234 0.000 0.912 670 F CB 0.667 39.842 39.000 0.292 0.000 1.292 670 F HN 0.456 nan 8.300 nan 0.000 0.447 671 T N 2.989 117.294 114.554 -0.415 0.000 2.791 671 T HA 0.774 5.124 4.350 -0.000 0.000 0.288 671 T C -0.028 174.364 174.700 -0.514 0.000 0.999 671 T CA -0.051 61.772 62.100 -0.463 0.000 0.952 671 T CB 1.066 69.848 68.868 -0.143 0.000 0.938 671 T HN 0.959 nan 8.240 nan 0.000 0.444 672 A N 5.963 128.411 122.820 -0.619 0.000 2.483 672 A HA 0.535 4.855 4.320 -0.000 0.000 0.238 672 A C -2.007 175.559 177.584 -0.030 0.000 1.070 672 A CA -1.068 50.850 52.037 -0.197 0.000 0.770 672 A CB -0.316 18.625 19.000 -0.098 0.000 1.008 672 A HN 0.484 nan 8.150 nan 0.000 0.497 673 P HA 0.115 nan 4.420 nan 0.000 0.271 673 P C 0.539 177.862 177.300 0.038 0.000 1.244 673 P CA -0.065 63.069 63.100 0.056 0.000 0.793 673 P CB 0.632 32.381 31.700 0.082 0.000 0.984 674 S N -1.304 114.415 115.700 0.032 0.000 2.503 674 S HA 0.098 4.568 4.470 -0.000 0.000 0.217 674 S C 0.784 175.403 174.600 0.032 0.000 0.999 674 S CA 0.503 58.718 58.200 0.024 0.000 0.914 674 S CB -0.204 63.007 63.200 0.019 0.000 0.782 674 S HN 0.774 nan 8.310 nan 0.000 0.520 675 S N -1.146 114.581 115.700 0.045 0.000 2.595 675 S HA 0.645 5.115 4.470 -0.000 0.000 0.270 675 S C -0.155 174.490 174.600 0.074 0.000 1.145 675 S CA -0.188 58.045 58.200 0.054 0.000 0.825 675 S CB 0.850 64.075 63.200 0.041 0.000 1.107 675 S HN 1.010 nan 8.310 nan 0.000 0.461 676 G N 0.822 109.680 108.800 0.096 0.000 2.681 676 G HA2 0.275 4.235 3.960 -0.000 0.000 0.220 676 G HA3 0.275 4.235 3.960 -0.000 0.000 0.220 676 G C -0.015 174.964 174.900 0.133 0.000 1.353 676 G CA 0.484 45.651 45.100 0.112 0.000 0.872 676 G HN 2.393 nan 8.290 nan 0.000 0.557 677 T N -2.649 111.981 114.554 0.126 0.000 2.807 677 T HA 1.062 5.411 4.350 -0.000 0.000 0.277 677 T C 0.133 174.892 174.700 0.097 0.000 1.006 677 T CA 0.469 62.650 62.100 0.135 0.000 1.006 677 T CB 1.772 70.734 68.868 0.156 0.000 1.274 677 T HN 2.720 nan 8.240 nan 0.000 0.569 678 A N -0.109 122.758 122.820 0.079 0.000 2.586 678 A HA 0.701 5.021 4.320 -0.000 0.000 0.291 678 A C -0.893 176.677 177.584 -0.023 0.000 1.062 678 A CA -0.941 51.119 52.037 0.039 0.000 0.666 678 A CB 1.122 20.160 19.000 0.063 0.000 1.281 678 A HN 0.946 nan 8.150 nan 0.000 0.421 679 T N 1.477 115.997 114.554 -0.055 0.000 2.890 679 T HA 0.574 4.924 4.350 -0.000 0.000 0.295 679 T C -0.699 173.893 174.700 -0.179 0.000 0.993 679 T CA 0.010 62.046 62.100 -0.107 0.000 0.979 679 T CB 0.429 69.289 68.868 -0.014 0.000 0.967 679 T HN 0.476 nan 8.240 nan 0.000 0.441 680 I N 3.635 123.993 120.570 -0.354 0.000 2.330 680 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 680 I C 0.069 176.079 176.117 -0.178 0.000 1.001 680 I CA -0.797 60.305 61.300 -0.330 0.000 1.193 680 I CB 0.976 38.536 38.000 -0.734 0.000 1.345 680 I HN 0.408 nan 8.210 nan 0.000 0.461 681 N N 6.713 125.370 118.700 -0.072 0.000 2.424 681 N HA 0.584 5.324 4.740 -0.000 0.000 0.271 681 N C -0.900 174.615 175.510 0.008 0.000 0.985 681 N CA -0.182 52.839 53.050 -0.049 0.000 0.921 681 N CB 2.120 40.586 38.487 -0.034 0.000 1.149 681 N HN 0.493 nan 8.380 nan 0.000 0.492 682 V N 0.952 120.870 119.914 0.006 0.000 3.156 682 V HA 0.689 4.809 4.120 -0.000 0.000 0.310 682 V C -0.595 175.509 176.094 0.016 0.000 1.234 682 V CA -1.083 61.227 62.300 0.015 0.000 1.065 682 V CB 2.094 33.862 31.823 -0.092 0.000 1.088 682 V HN 0.468 nan 8.190 nan 0.000 0.451 683 N N 0.962 119.715 118.700 0.088 0.000 2.370 683 N HA 0.290 5.030 4.740 -0.000 0.000 0.303 683 N C -0.998 174.648 175.510 0.227 0.000 1.103 683 N CA -0.315 52.814 53.050 0.133 0.000 0.848 683 N CB 2.163 40.733 38.487 0.138 0.000 1.235 683 N HN 1.022 nan 8.380 nan 0.000 0.496 684 W N 2.329 123.657 121.300 0.048 0.000 2.251 684 W HA 0.058 4.718 4.660 -0.000 0.000 0.327 684 W C -0.782 175.827 176.519 0.150 0.000 1.361 684 W CA 0.159 57.569 57.345 0.109 0.000 1.234 684 W CB 0.372 29.843 29.460 0.019 0.000 1.212 684 W HN 0.422 nan 8.180 nan 0.000 0.557 685 Q N 7.669 127.256 119.800 -0.355 0.000 2.303 685 Q HA 0.272 4.612 4.340 -0.000 0.000 0.257 685 Q C -1.932 173.873 176.000 -0.326 0.000 0.941 685 Q CA -1.780 53.888 55.803 -0.225 0.000 0.931 685 Q CB 1.513 30.137 28.738 -0.191 0.000 1.215 685 Q HN 0.203 nan 8.270 nan 0.000 0.437 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.202 63.100 0.170 0.000 0.800 686 P CB 0.000 31.827 31.700 0.211 0.000 0.726