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 1kit_1_A DATA FIRST_RESID 25 DATA SEQUENCE ALFDYNATGD TEFDSPAKQG WMQDNTNNGS GVLTNADGMP AWLVQGIGGR DATA SEQUENCE AQWTYSLSTN QHAQASSFGW RMTTEMKVLS GGMITNYYAN GTQRVLPIIS DATA SEQUENCE LDSSGNLVVE FEGQTGRTVL ATGTAATEYH KFELVFLPGS NPSASFYFDG DATA SEQUENCE KLIRDNIQPT ASKQNMIVWG NGSSNTDGVA AYRDIKFEIQ GDVIFRGPDR DATA SEQUENCE IPSIVASSVT PGVVTAFAEK RVGGGDPGAL SNTNDIITRT SRDGGITWDT DATA SEQUENCE ELNLTEQINV SDEFDFSDPR PIYDPSSNTV LVSYARWPTD AAQNGDRIKP DATA SEQUENCE WMPNGIFYSV YDVASGNWQA PIDVTDQVKE RSFQIAGWGG SELYRRNTSL DATA SEQUENCE NSQQDWQSNA KIRIVDGAAN QIQVADGSRK YVVTLSIDES GGLVANLNGV DATA SEQUENCE SAPIILQSEH AKVHSFHDYE LQYSALNHTT TLFVDGQQIT TWAGEVSQEN DATA SEQUENCE NIQFGNADAQ IDGRLHVQKI VLTQQGHNLV EFDAFYLAQQ TPEVEKDLEK DATA SEQUENCE LGWTKIKTGN TMSLYGNASV NPGPGHGITL TRQQNISGSQ NGRLIYPAIV DATA SEQUENCE LDRFFLNVMS IYSDDGGSNW QTGSTLPIPF RWKSSSILET LEPSEADMVE DATA SEQUENCE LQNGDLLLTA RLDFNQIVNG VNYSPRQQFL SKDGGITWSL LEANNANVFS DATA SEQUENCE NISTGTVDAS ITRFEQSDGS HFLLFTNPQG NPAGTNGRQN LGLWFSFDEG DATA SEQUENCE VTWKGPIQLV NGASAYSDIY QLDSENAIVI VETDNSNMRI LRMPITLLKQ DATA SEQUENCE KLTLSQN 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.360 177.584 -0.374 0.000 1.274 25 A CA 0.000 51.912 52.037 -0.208 0.000 0.836 25 A CB 0.000 18.883 19.000 -0.195 0.000 0.831 26 L N 1.127 122.032 121.223 -0.529 0.000 2.360 26 L HA 0.971 5.311 4.340 0.000 0.000 0.271 26 L C -1.346 174.995 176.870 -0.881 0.000 1.057 26 L CA -0.343 54.219 54.840 -0.463 0.000 0.803 26 L CB 1.074 42.992 42.059 -0.235 0.000 1.207 26 L HN 0.574 nan 8.230 nan 0.000 0.445 27 F N 2.905 122.830 119.950 -0.041 0.000 2.787 27 F HA 0.416 4.943 4.527 0.000 0.000 0.340 27 F C -0.796 175.038 175.800 0.056 0.000 1.232 27 F CA -1.043 56.844 58.000 -0.188 0.000 1.051 27 F CB 1.380 40.129 39.000 -0.418 0.000 1.330 27 F HN 0.532 nan 8.300 nan 0.000 0.522 28 D N 1.017 121.583 120.400 0.276 0.000 2.664 28 D HA 0.501 5.142 4.640 0.000 0.000 0.292 28 D C -1.900 174.757 176.300 0.594 0.000 1.214 28 D CA -0.685 53.560 54.000 0.409 0.000 0.932 28 D CB 2.180 43.081 40.800 0.168 0.000 1.420 28 D HN 0.276 nan 8.370 nan 0.000 0.471 29 Y N 0.054 120.479 120.300 0.209 0.000 2.571 29 Y HA 0.595 5.145 4.550 0.000 0.000 0.341 29 Y C -1.936 173.937 175.900 -0.045 0.000 1.076 29 Y CA -0.648 57.499 58.100 0.079 0.000 1.029 29 Y CB 1.836 40.142 38.460 -0.256 0.000 1.308 29 Y HN 0.780 nan 8.280 nan 0.000 0.461 30 N N 1.963 119.958 118.700 -1.175 0.000 2.504 30 N HA 0.566 5.306 4.740 0.000 0.000 0.268 30 N C -1.957 173.087 175.510 -0.776 0.000 1.184 30 N CA -0.593 51.954 53.050 -0.839 0.000 0.875 30 N CB 1.532 39.825 38.487 -0.324 0.000 1.630 30 N HN 0.825 nan 8.380 nan 0.000 0.486 31 A N 0.659 123.263 122.820 -0.360 0.000 2.655 31 A HA 0.292 4.612 4.320 0.000 0.000 0.297 31 A C 0.950 178.508 177.584 -0.043 0.000 1.461 31 A CA 0.032 52.025 52.037 -0.074 0.000 1.146 31 A CB -1.175 17.875 19.000 0.084 0.000 1.108 31 A HN 0.751 nan 8.150 nan 0.000 0.550 32 T N -0.350 114.189 114.554 -0.024 0.000 3.085 32 T HA 0.306 4.656 4.350 0.000 0.000 0.263 32 T C 1.697 176.424 174.700 0.045 0.000 1.127 32 T CA 0.992 63.094 62.100 0.004 0.000 1.103 32 T CB 0.002 68.880 68.868 0.017 0.000 0.921 32 T HN 1.822 nan 8.240 nan 0.000 0.510 33 G N 2.463 111.312 108.800 0.082 0.000 2.420 33 G HA2 -0.290 3.670 3.960 0.000 0.000 0.221 33 G HA3 -0.290 3.670 3.960 0.000 0.000 0.221 33 G C 0.056 175.019 174.900 0.106 0.000 1.117 33 G CA 0.065 45.217 45.100 0.086 0.000 0.657 33 G HN 0.842 nan 8.290 nan 0.000 0.512 34 D N 1.223 121.692 120.400 0.115 0.000 2.361 34 D HA 0.335 4.975 4.640 0.000 0.000 0.239 34 D C 1.192 177.583 176.300 0.150 0.000 1.200 34 D CA 1.010 55.089 54.000 0.131 0.000 0.915 34 D CB 0.596 41.491 40.800 0.157 0.000 1.170 34 D HN 0.221 nan 8.370 nan 0.000 0.444 35 T N 0.550 115.180 114.554 0.126 0.000 2.688 35 T HA -0.159 4.191 4.350 0.000 0.000 0.237 35 T C 1.619 176.375 174.700 0.092 0.000 1.120 35 T CA 1.137 63.304 62.100 0.112 0.000 1.469 35 T CB -0.548 68.363 68.868 0.071 0.000 1.032 35 T HN 0.680 nan 8.240 nan 0.000 0.405 36 E N 0.096 120.293 120.200 -0.005 0.000 2.172 36 E HA -0.235 4.115 4.350 0.000 0.000 0.213 36 E C 1.349 177.791 176.600 -0.264 0.000 1.051 36 E CA 1.736 58.013 56.400 -0.204 0.000 0.860 36 E CB -0.225 29.216 29.700 -0.432 0.000 0.755 36 E HN 0.506 nan 8.360 nan 0.000 0.462 37 F N -0.325 119.675 119.950 0.084 0.000 2.727 37 F HA 0.146 4.673 4.527 0.000 0.000 0.302 37 F C 1.193 177.055 175.800 0.104 0.000 1.097 37 F CA 0.093 58.140 58.000 0.079 0.000 1.330 37 F CB 0.464 39.498 39.000 0.056 0.000 1.084 37 F HN -0.067 nan 8.300 nan 0.000 0.578 38 D N -0.837 119.733 120.400 0.283 0.000 2.349 38 D HA -0.033 4.607 4.640 0.000 0.000 0.215 38 D C 0.960 177.478 176.300 0.364 0.000 1.016 38 D CA 0.376 54.560 54.000 0.306 0.000 0.870 38 D CB 0.132 41.116 40.800 0.307 0.000 0.917 38 D HN -0.070 nan 8.370 nan 0.000 0.524 39 S N 0.628 116.438 115.700 0.183 0.000 2.516 39 S HA 0.073 4.543 4.470 0.000 0.000 0.282 39 S C -1.617 172.816 174.600 -0.280 0.000 1.286 39 S CA -1.395 56.728 58.200 -0.127 0.000 1.066 39 S CB 1.014 64.191 63.200 -0.039 0.000 0.884 39 S HN -0.126 nan 8.310 nan 0.000 0.491 40 P HA -0.065 nan 4.420 nan 0.000 0.220 40 P C 0.812 177.759 177.300 -0.588 0.000 1.144 40 P CA 1.037 63.473 63.100 -1.108 0.000 0.800 40 P CB 0.024 30.015 31.700 -2.849 0.000 0.772 41 A N -1.429 121.103 122.820 -0.480 0.000 2.235 41 A HA -0.057 4.263 4.320 0.000 0.000 0.208 41 A C 1.928 179.525 177.584 0.021 0.000 1.172 41 A CA 1.111 53.112 52.037 -0.061 0.000 0.786 41 A CB -0.525 18.536 19.000 0.101 0.000 0.804 41 A HN 0.016 nan 8.150 nan 0.000 0.479 42 K N -0.442 119.986 120.400 0.047 0.000 2.306 42 K HA 0.100 4.420 4.320 0.000 0.000 0.200 42 K C 0.972 177.694 176.600 0.203 0.000 1.083 42 K CA 0.569 56.953 56.287 0.162 0.000 0.959 42 K CB -0.127 32.526 32.500 0.255 0.000 0.994 42 K HN 0.574 nan 8.250 nan 0.000 0.492 43 Q N 0.681 120.621 119.800 0.234 0.000 2.259 43 Q HA 0.128 4.468 4.340 0.000 0.000 0.228 43 Q C 0.354 176.528 176.000 0.290 0.000 0.909 43 Q CA 0.401 56.383 55.803 0.297 0.000 0.948 43 Q CB -0.015 28.995 28.738 0.453 0.000 1.041 43 Q HN 0.494 nan 8.270 nan 0.000 0.445 44 G N 0.093 108.990 108.800 0.160 0.000 2.245 44 G HA2 -0.271 3.690 3.960 0.000 0.000 0.264 44 G HA3 -0.271 3.690 3.960 0.000 0.000 0.264 44 G C -0.166 174.634 174.900 -0.167 0.000 0.985 44 G CA 0.017 45.129 45.100 0.021 0.000 0.625 44 G HN 0.421 nan 8.290 nan 0.000 0.536 45 W N -0.023 121.289 121.300 0.019 0.000 2.049 45 W HA 0.769 5.429 4.660 0.000 0.000 0.356 45 W C 0.657 177.215 176.519 0.066 0.000 1.323 45 W CA -0.613 56.748 57.345 0.027 0.000 1.336 45 W CB 0.318 29.803 29.460 0.041 0.000 1.176 45 W HN 0.107 nan 8.180 nan 0.000 0.623 46 M N 0.790 120.667 119.600 0.462 0.000 2.508 46 M HA 0.238 4.718 4.480 0.000 0.000 0.327 46 M C -0.347 176.121 176.300 0.280 0.000 1.160 46 M CA -0.501 54.973 55.300 0.290 0.000 0.980 46 M CB 1.876 34.516 32.600 0.067 0.000 1.693 46 M HN 0.334 nan 8.290 nan 0.000 0.452 47 Q N 1.092 120.860 119.800 -0.054 0.000 2.261 47 Q HA 0.286 4.626 4.340 0.000 0.000 0.252 47 Q C -1.048 174.720 176.000 -0.386 0.000 0.915 47 Q CA 0.106 55.566 55.803 -0.572 0.000 0.915 47 Q CB 0.820 29.298 28.738 -0.433 0.000 1.204 47 Q HN 0.541 nan 8.270 nan 0.000 0.421 48 D N 2.393 122.502 120.400 -0.485 0.000 2.846 48 D HA 0.162 4.802 4.640 0.000 0.000 0.279 48 D C -1.177 174.948 176.300 -0.291 0.000 1.222 48 D CA -0.314 53.506 54.000 -0.299 0.000 0.769 48 D CB 0.166 40.833 40.800 -0.223 0.000 1.299 48 D HN 0.344 nan 8.370 nan 0.000 0.537 49 N N 0.079 118.614 118.700 -0.275 0.000 2.483 49 N HA 0.595 5.335 4.740 0.000 0.000 0.285 49 N C -0.573 174.850 175.510 -0.145 0.000 1.210 49 N CA -0.494 52.425 53.050 -0.219 0.000 0.931 49 N CB 1.609 39.958 38.487 -0.230 0.000 1.220 49 N HN 0.270 nan 8.380 nan 0.000 0.542 50 T N -2.222 112.262 114.554 -0.116 0.000 2.881 50 T HA 0.316 4.666 4.350 0.000 0.000 0.290 50 T C -0.214 174.442 174.700 -0.073 0.000 1.000 50 T CA -1.110 60.939 62.100 -0.085 0.000 0.978 50 T CB 0.857 69.682 68.868 -0.071 0.000 0.997 50 T HN 0.573 nan 8.240 nan 0.000 0.443 51 N N 3.271 121.934 118.700 -0.061 0.000 1.456 51 N HA -0.316 4.424 4.740 0.000 0.000 0.403 51 N C 0.281 175.762 175.510 -0.049 0.000 1.161 51 N CA 1.180 54.200 53.050 -0.050 0.000 0.753 51 N CB -0.583 37.880 38.487 -0.040 0.000 0.949 51 N HN 0.962 nan 8.380 nan 0.000 0.554 52 N N -1.390 117.283 118.700 -0.045 0.000 2.885 52 N HA -0.139 4.601 4.740 0.000 0.000 0.215 52 N C 0.516 175.996 175.510 -0.050 0.000 0.893 52 N CA 2.186 55.211 53.050 -0.041 0.000 1.147 52 N CB -1.696 36.770 38.487 -0.036 0.000 0.967 52 N HN 1.039 nan 8.380 nan 0.000 0.601 53 G N 0.524 109.287 108.800 -0.063 0.000 2.307 53 G HA2 0.393 4.353 3.960 0.000 0.000 0.271 53 G HA3 0.393 4.353 3.960 0.000 0.000 0.271 53 G C -0.010 174.838 174.900 -0.086 0.000 1.191 53 G CA 0.954 46.006 45.100 -0.081 0.000 1.024 53 G HN 0.289 nan 8.290 nan 0.000 0.441 54 S N 0.496 116.154 115.700 -0.070 0.000 2.704 54 S HA 0.932 5.403 4.470 0.000 0.000 0.296 54 S C 0.100 174.682 174.600 -0.030 0.000 1.138 54 S CA -0.010 58.160 58.200 -0.050 0.000 0.875 54 S CB 1.983 65.157 63.200 -0.042 0.000 1.151 54 S HN 1.218 nan 8.310 nan 0.000 0.500 55 G N -0.186 108.627 108.800 0.021 0.000 2.704 55 G HA2 0.700 4.660 3.960 0.000 0.000 0.293 55 G HA3 0.700 4.660 3.960 0.000 0.000 0.293 55 G C -1.916 172.756 174.900 -0.381 0.000 1.421 55 G CA -0.451 44.636 45.100 -0.020 0.000 0.870 55 G HN 0.942 nan 8.290 nan 0.000 0.492 56 V N 0.567 119.713 119.914 -1.280 0.000 3.106 56 V HA 0.423 4.544 4.120 0.000 0.000 0.280 56 V C -1.106 174.335 176.094 -1.087 0.000 1.525 56 V CA -0.937 60.727 62.300 -1.060 0.000 0.999 56 V CB 1.973 33.574 31.823 -0.370 0.000 1.186 56 V HN 1.034 nan 8.190 nan 0.000 0.448 57 L N 3.319 124.260 121.223 -0.470 0.000 2.433 57 L HA 0.614 4.954 4.340 0.000 0.000 0.275 57 L C 0.228 177.072 176.870 -0.043 0.000 1.128 57 L CA 0.427 55.239 54.840 -0.046 0.000 0.875 57 L CB 0.028 42.234 42.059 0.246 0.000 1.171 57 L HN 0.566 nan 8.230 nan 0.000 0.463 58 T N 1.960 116.510 114.554 -0.007 0.000 2.940 58 T HA 0.315 4.665 4.350 0.000 0.000 0.288 58 T C 0.255 175.004 174.700 0.081 0.000 1.033 58 T CA -0.645 61.467 62.100 0.021 0.000 1.033 58 T CB 1.674 70.546 68.868 0.007 0.000 1.079 58 T HN 0.761 nan 8.240 nan 0.000 0.496 59 N N 0.680 119.421 118.700 0.069 0.000 2.628 59 N HA 0.236 4.976 4.740 0.000 0.000 0.299 59 N C -0.294 175.255 175.510 0.065 0.000 1.834 59 N CA -0.356 52.740 53.050 0.078 0.000 0.871 59 N CB 0.476 39.004 38.487 0.069 0.000 1.377 59 N HN 0.795 nan 8.380 nan 0.000 0.493 60 A N 1.268 124.131 122.820 0.072 0.000 2.573 60 A HA 0.005 4.325 4.320 0.000 0.000 0.250 60 A C 0.378 177.997 177.584 0.059 0.000 1.049 60 A CA 0.712 52.785 52.037 0.060 0.000 0.767 60 A CB -0.251 18.789 19.000 0.066 0.000 0.965 60 A HN 0.593 nan 8.150 nan 0.000 0.514 61 D N 1.251 121.677 120.400 0.043 0.000 2.702 61 D HA -0.165 4.476 4.640 0.000 0.000 0.233 61 D C 1.128 177.450 176.300 0.037 0.000 1.164 61 D CA 2.835 56.857 54.000 0.037 0.000 0.638 61 D CB -1.356 39.465 40.800 0.037 0.000 1.041 61 D HN 1.905 nan 8.370 nan 0.000 0.422 62 G N -1.390 107.433 108.800 0.039 0.000 2.148 62 G HA2 -0.368 3.592 3.960 0.000 0.000 0.254 62 G HA3 -0.368 3.592 3.960 0.000 0.000 0.254 62 G C 0.363 175.285 174.900 0.037 0.000 0.981 62 G CA 0.315 45.436 45.100 0.035 0.000 0.670 62 G HN 0.437 nan 8.290 nan 0.000 0.528 63 M N 2.639 122.274 119.600 0.057 0.000 2.664 63 M HA 0.282 4.762 4.480 0.000 0.000 0.332 63 M C -1.971 174.385 176.300 0.095 0.000 1.354 63 M CA -1.614 53.727 55.300 0.069 0.000 1.399 63 M CB 0.816 33.496 32.600 0.135 0.000 1.224 63 M HN 0.001 nan 8.290 nan 0.000 0.479 64 P HA 0.381 nan 4.420 nan 0.000 0.271 64 P C -0.902 176.493 177.300 0.158 0.000 1.220 64 P CA 0.142 63.306 63.100 0.106 0.000 0.768 64 P CB 1.121 32.864 31.700 0.072 0.000 0.848 65 A N 3.655 126.623 122.820 0.247 0.000 2.522 65 A HA 0.412 4.732 4.320 0.000 0.000 0.291 65 A C -2.108 175.761 177.584 0.474 0.000 1.039 65 A CA -0.810 51.456 52.037 0.383 0.000 0.643 65 A CB 0.708 19.968 19.000 0.434 0.000 1.310 65 A HN 0.591 nan 8.150 nan 0.000 0.436 66 W N 2.085 123.646 121.300 0.436 0.000 2.335 66 W HA 0.561 5.221 4.660 0.000 0.000 0.307 66 W C -1.707 175.039 176.519 0.378 0.000 1.117 66 W CA -0.540 57.033 57.345 0.379 0.000 1.228 66 W CB 1.391 31.057 29.460 0.343 0.000 1.240 66 W HN 0.662 nan 8.180 nan 0.000 0.468 67 L N 7.408 128.382 121.223 -0.415 0.000 2.276 67 L HA 0.351 4.691 4.340 0.000 0.000 0.286 67 L C -0.610 176.079 176.870 -0.302 0.000 1.061 67 L CA -0.318 54.398 54.840 -0.207 0.000 0.807 67 L CB 1.295 43.224 42.059 -0.216 0.000 1.177 67 L HN 0.140 nan 8.230 nan 0.000 0.429 68 V N 5.543 125.510 119.914 0.088 0.000 2.439 68 V HA 0.409 4.529 4.120 0.000 0.000 0.282 68 V C -0.228 175.887 176.094 0.035 0.000 1.039 68 V CA -0.507 61.867 62.300 0.125 0.000 0.913 68 V CB 1.482 33.442 31.823 0.228 0.000 0.983 68 V HN 0.770 nan 8.190 nan 0.000 0.460 69 Q N 3.106 122.896 119.800 -0.016 0.000 2.523 69 Q HA 0.419 4.759 4.340 0.000 0.000 0.251 69 Q C 0.540 176.519 176.000 -0.036 0.000 1.033 69 Q CA -0.266 55.519 55.803 -0.030 0.000 0.746 69 Q CB 1.584 30.290 28.738 -0.054 0.000 1.189 69 Q HN 0.920 nan 8.270 nan 0.000 0.508 70 G N 3.342 112.129 108.800 -0.022 0.000 3.882 70 G HA2 0.212 4.172 3.960 0.000 0.000 0.283 70 G HA3 0.212 4.172 3.960 0.000 0.000 0.283 70 G C 0.321 175.204 174.900 -0.027 0.000 1.283 70 G CA -0.223 44.858 45.100 -0.032 0.000 1.402 70 G HN 0.549 nan 8.290 nan 0.000 0.618 71 I N -1.451 119.101 120.570 -0.030 0.000 2.325 71 I HA 0.585 4.755 4.170 0.000 0.000 0.291 71 I C 0.798 176.896 176.117 -0.031 0.000 1.019 71 I CA -0.695 60.589 61.300 -0.026 0.000 1.302 71 I CB 0.488 38.473 38.000 -0.025 0.000 1.401 71 I HN 0.358 nan 8.210 nan 0.000 0.485 72 G N 4.129 112.912 108.800 -0.028 0.000 2.393 72 G HA2 0.163 4.123 3.960 0.000 0.000 0.299 72 G HA3 0.163 4.123 3.960 0.000 0.000 0.299 72 G C 0.440 175.318 174.900 -0.036 0.000 0.990 72 G CA 0.378 45.461 45.100 -0.029 0.000 1.118 72 G HN 2.248 nan 8.290 nan 0.000 0.513 73 G N -0.991 107.785 108.800 -0.041 0.000 2.352 73 G HA2 0.586 4.546 3.960 0.000 0.000 0.305 73 G HA3 0.586 4.546 3.960 0.000 0.000 0.305 73 G C -0.378 174.485 174.900 -0.062 0.000 1.537 73 G CA -0.081 44.987 45.100 -0.052 0.000 0.959 73 G HN 1.294 nan 8.290 nan 0.000 0.668 74 R N 0.075 120.530 120.500 -0.075 0.000 2.410 74 R HA 0.789 5.129 4.340 0.000 0.000 0.288 74 R C -0.330 175.888 176.300 -0.137 0.000 1.051 74 R CA 0.004 56.051 56.100 -0.090 0.000 1.021 74 R CB 1.748 31.997 30.300 -0.084 0.000 1.032 74 R HN 1.540 nan 8.270 nan 0.000 0.481 75 A N 4.015 126.740 122.820 -0.158 0.000 2.357 75 A HA 0.358 4.679 4.320 0.000 0.000 0.295 75 A C -1.093 176.301 177.584 -0.318 0.000 1.121 75 A CA -0.726 51.163 52.037 -0.247 0.000 0.742 75 A CB 1.285 20.188 19.000 -0.162 0.000 1.181 75 A HN 0.915 nan 8.150 nan 0.000 0.454 76 Q N 1.766 121.267 119.800 -0.499 0.000 2.386 76 Q HA 0.527 4.867 4.340 0.000 0.000 0.274 76 Q C -2.190 173.368 176.000 -0.737 0.000 1.011 76 Q CA -0.612 54.874 55.803 -0.528 0.000 0.867 76 Q CB 1.123 29.702 28.738 -0.265 0.000 1.409 76 Q HN 0.646 nan 8.270 nan 0.000 0.395 77 W N 2.387 123.187 121.300 -0.834 0.000 2.433 77 W HA 0.572 5.232 4.660 0.000 0.000 0.315 77 W C 0.140 176.446 176.519 -0.354 0.000 1.087 77 W CA -0.294 56.566 57.345 -0.808 0.000 1.205 77 W CB 2.224 30.729 29.460 -1.593 0.000 1.288 77 W HN 0.727 nan 8.180 nan 0.000 0.504 78 T N -0.275 114.433 114.554 0.256 0.000 2.940 78 T HA 0.694 5.044 4.350 0.000 0.000 0.288 78 T C -1.758 173.252 174.700 0.516 0.000 1.045 78 T CA -0.715 61.576 62.100 0.317 0.000 1.018 78 T CB 2.157 71.070 68.868 0.074 0.000 1.151 78 T HN 0.328 nan 8.240 nan 0.000 0.529 79 Y N -0.380 119.996 120.300 0.127 0.000 2.436 79 Y HA 0.557 5.107 4.550 0.000 0.000 0.327 79 Y C -0.947 174.823 175.900 -0.217 0.000 1.138 79 Y CA -0.712 57.281 58.100 -0.178 0.000 1.042 79 Y CB 2.426 40.472 38.460 -0.690 0.000 1.302 79 Y HN 0.866 nan 8.280 nan 0.000 0.439 80 S N 5.963 121.634 115.700 -0.048 0.000 2.433 80 S HA 0.698 5.168 4.470 0.000 0.000 0.310 80 S C -0.688 173.890 174.600 -0.036 0.000 1.097 80 S CA -0.574 57.602 58.200 -0.040 0.000 1.103 80 S CB 0.239 63.398 63.200 -0.068 0.000 0.992 80 S HN 0.558 nan 8.310 nan 0.000 0.469 81 L N 2.309 123.479 121.223 -0.088 0.000 2.416 81 L HA 0.619 4.959 4.340 0.000 0.000 0.263 81 L C 0.832 177.668 176.870 -0.056 0.000 1.065 81 L CA -0.812 53.909 54.840 -0.199 0.000 0.798 81 L CB 0.964 42.690 42.059 -0.555 0.000 1.267 81 L HN 0.624 nan 8.230 nan 0.000 0.467 82 S N -1.783 113.881 115.700 -0.061 0.000 2.693 82 S HA 0.222 4.692 4.470 0.000 0.000 0.276 82 S C 0.849 175.530 174.600 0.135 0.000 1.192 82 S CA -0.229 57.999 58.200 0.046 0.000 0.994 82 S CB 1.489 64.716 63.200 0.045 0.000 1.012 82 S HN 0.626 nan 8.310 nan 0.000 0.550 83 T N 2.256 116.905 114.554 0.159 0.000 2.746 83 T HA -0.127 4.223 4.350 0.000 0.000 0.267 83 T C 1.472 176.278 174.700 0.175 0.000 1.039 83 T CA 2.105 64.324 62.100 0.198 0.000 1.142 83 T CB -0.905 68.030 68.868 0.112 0.000 0.866 83 T HN 0.746 nan 8.240 nan 0.000 0.444 84 N N 1.287 120.059 118.700 0.120 0.000 2.223 84 N HA -0.071 4.669 4.740 0.000 0.000 0.185 84 N C 2.059 177.646 175.510 0.128 0.000 1.016 84 N CA 0.843 53.963 53.050 0.116 0.000 0.863 84 N CB -0.263 38.280 38.487 0.094 0.000 0.983 84 N HN 0.507 nan 8.380 nan 0.000 0.429 85 Q N -0.403 119.447 119.800 0.083 0.000 2.119 85 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 85 Q C 1.337 177.369 176.000 0.053 0.000 0.972 85 Q CA 1.266 57.098 55.803 0.048 0.000 0.847 85 Q CB -0.203 28.497 28.738 -0.064 0.000 0.903 85 Q HN 0.668 nan 8.270 nan 0.000 0.433 86 H N 0.089 119.248 119.070 0.150 0.000 2.395 86 H HA 0.012 4.568 4.556 0.000 0.000 0.299 86 H C 2.066 177.501 175.328 0.178 0.000 1.070 86 H CA 1.034 57.194 56.048 0.188 0.000 1.356 86 H CB 0.044 29.881 29.762 0.126 0.000 1.401 86 H HN 0.301 nan 8.280 nan 0.000 0.524 87 A N 0.758 123.727 122.820 0.247 0.000 1.877 87 A HA -0.279 4.041 4.320 0.000 0.000 0.216 87 A C 2.201 179.879 177.584 0.155 0.000 1.186 87 A CA 1.875 54.013 52.037 0.168 0.000 0.620 87 A CB -0.685 18.395 19.000 0.133 0.000 0.822 87 A HN 0.509 nan 8.150 nan 0.000 0.443 88 Q N -0.596 119.335 119.800 0.218 0.000 2.096 88 Q HA -0.163 4.178 4.340 0.000 0.000 0.204 88 Q C 2.157 178.348 176.000 0.318 0.000 0.982 88 Q CA 1.701 57.704 55.803 0.333 0.000 0.850 88 Q CB -0.361 28.595 28.738 0.363 0.000 0.901 88 Q HN 0.617 nan 8.270 nan 0.000 0.422 89 A N -0.106 122.894 122.820 0.300 0.000 1.972 89 A HA -0.163 4.157 4.320 0.000 0.000 0.219 89 A C 2.171 179.984 177.584 0.383 0.000 1.169 89 A CA 1.821 54.083 52.037 0.376 0.000 0.635 89 A CB -0.425 18.786 19.000 0.350 0.000 0.810 89 A HN 0.445 nan 8.150 nan 0.000 0.446 90 S N -0.504 115.358 115.700 0.270 0.000 2.414 90 S HA -0.039 4.431 4.470 0.000 0.000 0.227 90 S C 2.190 176.828 174.600 0.063 0.000 1.022 90 S CA 1.080 59.417 58.200 0.228 0.000 0.958 90 S CB -0.125 63.186 63.200 0.184 0.000 0.797 90 S HN 0.566 nan 8.310 nan 0.000 0.493 91 S N 0.936 116.535 115.700 -0.168 0.000 2.357 91 S HA 0.104 4.574 4.470 0.000 0.000 0.221 91 S C 1.102 175.263 174.600 -0.731 0.000 1.031 91 S CA 1.086 58.902 58.200 -0.640 0.000 0.982 91 S CB -0.178 62.253 63.200 -1.281 0.000 0.853 91 S HN 0.594 nan 8.310 nan 0.000 0.458 92 F N 0.420 120.447 119.950 0.128 0.000 2.724 92 F HA 0.479 5.007 4.527 0.000 0.000 0.306 92 F C 1.316 177.176 175.800 0.101 0.000 1.100 92 F CA 0.184 58.240 58.000 0.093 0.000 1.255 92 F CB -0.230 38.813 39.000 0.072 0.000 1.072 92 F HN 0.318 nan 8.300 nan 0.000 0.589 93 G N 0.164 109.129 108.800 0.275 0.000 2.631 93 G HA2 -0.023 3.937 3.960 0.000 0.000 0.504 93 G HA3 -0.023 3.937 3.960 0.000 0.000 0.504 93 G C -1.126 173.921 174.900 0.245 0.000 1.306 93 G CA -0.699 44.539 45.100 0.231 0.000 0.897 93 G HN 0.452 nan 8.290 nan 0.000 0.520 94 W N -1.335 120.012 121.300 0.080 0.000 2.959 94 W HA 0.838 5.498 4.660 0.000 0.000 0.358 94 W C -0.709 175.750 176.519 -0.099 0.000 1.228 94 W CA -0.797 56.444 57.345 -0.172 0.000 1.183 94 W CB 1.503 30.674 29.460 -0.482 0.000 1.467 94 W HN 1.203 nan 8.180 nan 0.000 0.578 95 R N 1.816 122.378 120.500 0.103 0.000 2.584 95 R HA 0.659 4.999 4.340 0.000 0.000 0.276 95 R C -1.993 174.444 176.300 0.227 0.000 1.046 95 R CA -0.779 55.408 56.100 0.146 0.000 0.906 95 R CB 2.726 33.056 30.300 0.049 0.000 1.215 95 R HN 0.734 nan 8.270 nan 0.000 0.449 96 M N 2.988 122.858 119.600 0.451 0.000 2.311 96 M HA 0.392 4.873 4.480 0.000 0.000 0.325 96 M C -1.415 175.121 176.300 0.393 0.000 1.061 96 M CA -0.393 55.201 55.300 0.490 0.000 0.957 96 M CB 2.521 35.551 32.600 0.717 0.000 1.646 96 M HN 0.679 nan 8.290 nan 0.000 0.434 97 T N 2.883 117.626 114.554 0.315 0.000 2.840 97 T HA 0.502 4.852 4.350 0.000 0.000 0.287 97 T C -1.056 173.795 174.700 0.251 0.000 0.991 97 T CA -0.415 61.842 62.100 0.261 0.000 0.964 97 T CB 1.531 70.502 68.868 0.171 0.000 0.954 97 T HN 0.626 nan 8.240 nan 0.000 0.438 98 T N 3.028 117.768 114.554 0.309 0.000 2.879 98 T HA 0.381 4.731 4.350 0.000 0.000 0.290 98 T C -0.750 174.159 174.700 0.348 0.000 0.993 98 T CA -0.655 61.622 62.100 0.295 0.000 0.975 98 T CB 1.771 70.839 68.868 0.334 0.000 0.981 98 T HN 0.575 nan 8.240 nan 0.000 0.439 99 E N 5.046 125.404 120.200 0.263 0.000 2.101 99 E HA 0.525 4.875 4.350 0.000 0.000 0.260 99 E C -0.461 176.357 176.600 0.363 0.000 0.897 99 E CA -0.468 56.111 56.400 0.298 0.000 0.744 99 E CB 0.476 30.265 29.700 0.147 0.000 1.140 99 E HN 0.691 nan 8.360 nan 0.000 0.419 100 M N 2.106 121.941 119.600 0.393 0.000 2.744 100 M HA 0.560 5.040 4.480 0.000 0.000 0.283 100 M C -1.686 174.526 176.300 -0.147 0.000 1.275 100 M CA -1.065 54.302 55.300 0.112 0.000 0.796 100 M CB 2.276 34.532 32.600 -0.572 0.000 1.739 100 M HN 0.076 nan 8.290 nan 0.000 0.454 101 K N 1.354 121.405 120.400 -0.581 0.000 2.579 101 K HA 0.549 4.869 4.320 0.000 0.000 0.250 101 K C -2.008 174.423 176.600 -0.281 0.000 0.952 101 K CA -0.608 55.325 56.287 -0.591 0.000 0.857 101 K CB 2.165 33.984 32.500 -1.135 0.000 1.123 101 K HN 0.662 nan 8.250 nan 0.000 0.433 102 V N 7.184 127.021 119.914 -0.128 0.000 2.356 102 V HA 0.076 4.196 4.120 0.000 0.000 0.258 102 V C 1.155 177.224 176.094 -0.042 0.000 1.065 102 V CA 0.044 62.307 62.300 -0.061 0.000 0.935 102 V CB 0.600 32.413 31.823 -0.016 0.000 1.061 102 V HN 0.893 nan 8.190 nan 0.000 0.484 103 L N 3.558 124.756 121.223 -0.041 0.000 2.179 103 L HA 0.136 4.476 4.340 0.000 0.000 0.208 103 L C 1.023 177.886 176.870 -0.013 0.000 1.096 103 L CA 1.087 55.908 54.840 -0.031 0.000 0.779 103 L CB 0.310 42.351 42.059 -0.030 0.000 0.922 103 L HN 0.729 nan 8.230 nan 0.000 0.443 104 S N -2.378 113.319 115.700 -0.005 0.000 2.683 104 S HA 0.498 4.968 4.470 0.000 0.000 0.278 104 S C -0.312 174.288 174.600 0.001 0.000 1.059 104 S CA -0.124 58.075 58.200 -0.002 0.000 0.847 104 S CB 0.714 63.912 63.200 -0.004 0.000 1.078 104 S HN 0.510 nan 8.310 nan 0.000 0.456 105 G N 1.546 110.345 108.800 -0.002 0.000 2.545 105 G HA2 0.393 4.353 3.960 0.000 0.000 0.240 105 G HA3 0.393 4.353 3.960 0.000 0.000 0.240 105 G C 0.677 175.574 174.900 -0.006 0.000 1.172 105 G CA 0.373 45.471 45.100 -0.004 0.000 0.949 105 G HN 2.280 nan 8.290 nan 0.000 0.574 106 G N -3.568 105.229 108.800 -0.004 0.000 2.494 106 G HA2 0.551 4.511 3.960 0.000 0.000 0.308 106 G HA3 0.551 4.511 3.960 0.000 0.000 0.308 106 G C 0.340 175.238 174.900 -0.005 0.000 1.263 106 G CA 0.504 45.597 45.100 -0.011 0.000 0.840 106 G HN 1.783 nan 8.290 nan 0.000 0.479 107 M N -0.333 119.257 119.600 -0.017 0.000 2.253 107 M HA -0.137 4.344 4.480 0.000 0.000 0.199 107 M C -0.016 176.299 176.300 0.026 0.000 0.342 107 M CA 0.505 55.800 55.300 -0.009 0.000 0.417 107 M CB -1.779 30.814 32.600 -0.012 0.000 1.338 107 M HN 0.384 nan 8.290 nan 0.000 0.920 108 I N 0.978 121.567 120.570 0.032 0.000 2.379 108 I HA 0.183 4.353 4.170 0.000 0.000 0.290 108 I C 1.155 177.340 176.117 0.114 0.000 1.063 108 I CA 0.328 61.684 61.300 0.094 0.000 1.351 108 I CB 0.756 38.806 38.000 0.083 0.000 1.410 108 I HN 0.347 nan 8.210 nan 0.000 0.505 109 T N 3.192 117.862 114.554 0.193 0.000 2.893 109 T HA 0.445 4.795 4.350 0.000 0.000 0.324 109 T C -0.250 174.715 174.700 0.441 0.000 1.082 109 T CA -0.889 61.386 62.100 0.293 0.000 0.983 109 T CB 0.563 69.617 68.868 0.309 0.000 1.005 109 T HN 0.392 nan 8.240 nan 0.000 0.475 110 N N 3.825 122.802 118.700 0.462 0.000 2.443 110 N HA 0.553 5.293 4.740 0.000 0.000 0.269 110 N C -1.093 174.744 175.510 0.545 0.000 0.985 110 N CA -0.366 52.961 53.050 0.460 0.000 0.921 110 N CB 1.727 40.481 38.487 0.445 0.000 1.195 110 N HN 0.905 nan 8.380 nan 0.000 0.492 111 Y N 0.011 120.485 120.300 0.291 0.000 2.779 111 Y HA 0.524 5.074 4.550 0.000 0.000 0.340 111 Y C -2.142 173.876 175.900 0.195 0.000 1.252 111 Y CA -1.417 56.847 58.100 0.274 0.000 1.072 111 Y CB 0.805 39.389 38.460 0.206 0.000 1.343 111 Y HN 0.315 nan 8.280 nan 0.000 0.450 112 Y N 1.617 121.985 120.300 0.114 0.000 2.524 112 Y HA 0.929 5.480 4.550 0.000 0.000 0.344 112 Y C -1.273 174.613 175.900 -0.024 0.000 1.012 112 Y CA -0.958 56.991 58.100 -0.252 0.000 1.068 112 Y CB 2.000 40.054 38.460 -0.675 0.000 1.249 112 Y HN 1.139 nan 8.280 nan 0.000 0.468 113 A N 4.216 126.496 122.820 -0.900 0.000 2.574 113 A HA 0.599 4.919 4.320 0.000 0.000 0.297 113 A C -1.870 175.145 177.584 -0.949 0.000 1.062 113 A CA -0.730 50.862 52.037 -0.741 0.000 0.686 113 A CB 1.261 20.160 19.000 -0.167 0.000 1.285 113 A HN 0.974 nan 8.150 nan 0.000 0.403 114 N N -0.263 118.008 118.700 -0.716 0.000 2.265 114 N HA 0.496 5.236 4.740 0.000 0.000 0.300 114 N C 0.954 176.210 175.510 -0.422 0.000 1.148 114 N CA -0.018 52.614 53.050 -0.697 0.000 0.772 114 N CB 1.692 39.896 38.487 -0.472 0.000 1.434 114 N HN 0.780 nan 8.380 nan 0.000 0.481 115 G N -0.445 108.109 108.800 -0.409 0.000 2.833 115 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 115 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 115 G C 0.857 175.673 174.900 -0.140 0.000 1.110 115 G CA 1.643 46.608 45.100 -0.225 0.000 0.715 115 G HN 0.950 nan 8.290 nan 0.000 0.598 116 T N -4.362 110.114 114.554 -0.130 0.000 3.028 116 T HA 0.334 4.684 4.350 0.000 0.000 0.262 116 T C 0.412 175.085 174.700 -0.045 0.000 0.916 116 T CA 0.478 62.537 62.100 -0.068 0.000 0.873 116 T CB 0.453 69.296 68.868 -0.041 0.000 1.232 116 T HN 0.560 nan 8.240 nan 0.000 0.529 117 Q N 0.562 120.325 119.800 -0.062 0.000 2.575 117 Q HA 0.700 5.040 4.340 0.000 0.000 0.290 117 Q C -1.393 174.577 176.000 -0.050 0.000 0.963 117 Q CA -1.466 54.325 55.803 -0.019 0.000 0.783 117 Q CB 1.788 30.552 28.738 0.043 0.000 1.467 117 Q HN 0.463 nan 8.270 nan 0.000 0.402 118 R N -0.897 119.609 120.500 0.010 0.000 2.752 118 R HA 0.791 5.131 4.340 0.000 0.000 0.271 118 R C -1.748 174.639 176.300 0.145 0.000 1.026 118 R CA -0.902 55.221 56.100 0.038 0.000 0.901 118 R CB 1.531 31.839 30.300 0.013 0.000 1.243 118 R HN 0.393 nan 8.270 nan 0.000 0.463 119 V N 2.087 122.153 119.914 0.254 0.000 2.376 119 V HA 0.404 4.524 4.120 0.000 0.000 0.287 119 V C -0.981 175.268 176.094 0.259 0.000 1.015 119 V CA -0.740 61.756 62.300 0.326 0.000 0.834 119 V CB 1.186 33.343 31.823 0.557 0.000 1.001 119 V HN 0.635 nan 8.190 nan 0.000 0.428 120 L N 8.570 129.870 121.223 0.127 0.000 2.408 120 L HA 0.653 4.994 4.340 0.000 0.000 0.257 120 L C -2.483 174.399 176.870 0.020 0.000 1.053 120 L CA -1.514 53.314 54.840 -0.021 0.000 0.922 120 L CB 1.677 43.562 42.059 -0.290 0.000 1.261 120 L HN 0.400 nan 8.230 nan 0.000 0.458 121 P HA 0.305 nan 4.420 nan 0.000 0.286 121 P C -0.792 176.355 177.300 -0.254 0.000 1.269 121 P CA 0.011 62.959 63.100 -0.253 0.000 0.787 121 P CB 1.328 32.845 31.700 -0.306 0.000 0.920 122 I N 4.464 124.809 120.570 -0.376 0.000 2.355 122 I HA 0.292 4.462 4.170 0.000 0.000 0.288 122 I C 0.243 176.219 176.117 -0.236 0.000 0.999 122 I CA -0.736 60.428 61.300 -0.226 0.000 1.163 122 I CB 1.118 39.015 38.000 -0.172 0.000 1.316 122 I HN 0.098 nan 8.210 nan 0.000 0.454 123 I N 5.936 126.417 120.570 -0.148 0.000 2.304 123 I HA 0.433 4.603 4.170 0.000 0.000 0.291 123 I C 0.405 176.475 176.117 -0.078 0.000 1.018 123 I CA 0.199 61.423 61.300 -0.126 0.000 1.260 123 I CB 0.848 38.751 38.000 -0.162 0.000 1.390 123 I HN 0.706 nan 8.210 nan 0.000 0.475 124 S N 7.232 122.891 115.700 -0.068 0.000 2.643 124 S HA 0.740 5.210 4.470 0.000 0.000 0.270 124 S C -1.278 173.306 174.600 -0.026 0.000 1.166 124 S CA -0.883 57.293 58.200 -0.040 0.000 0.815 124 S CB 1.636 64.809 63.200 -0.044 0.000 1.139 124 S HN 0.317 nan 8.310 nan 0.000 0.472 125 L N 2.590 123.804 121.223 -0.014 0.000 2.307 125 L HA 0.501 4.841 4.340 0.000 0.000 0.284 125 L C -0.128 176.736 176.870 -0.009 0.000 1.023 125 L CA -0.802 54.035 54.840 -0.005 0.000 0.810 125 L CB 1.339 43.401 42.059 0.005 0.000 1.231 125 L HN 0.850 nan 8.230 nan 0.000 0.423 126 D N 0.757 121.152 120.400 -0.008 0.000 2.398 126 D HA 0.013 4.653 4.640 0.000 0.000 0.247 126 D C 1.176 177.474 176.300 -0.004 0.000 1.227 126 D CA -0.136 53.859 54.000 -0.009 0.000 0.980 126 D CB 0.888 41.684 40.800 -0.008 0.000 1.106 126 D HN 0.515 nan 8.370 nan 0.000 0.493 127 S N -0.182 115.515 115.700 -0.004 0.000 2.420 127 S HA -0.190 4.280 4.470 0.000 0.000 0.237 127 S C 1.392 175.993 174.600 0.002 0.000 1.023 127 S CA 1.097 59.296 58.200 -0.002 0.000 0.991 127 S CB -0.751 62.447 63.200 -0.003 0.000 0.792 127 S HN 0.445 nan 8.310 nan 0.000 0.488 128 S N 0.631 116.333 115.700 0.003 0.000 2.671 128 S HA 0.519 4.989 4.470 0.000 0.000 0.220 128 S C 1.587 176.193 174.600 0.012 0.000 0.951 128 S CA 0.129 58.334 58.200 0.007 0.000 0.932 128 S CB -0.226 62.979 63.200 0.008 0.000 0.777 128 S HN 1.091 nan 8.310 nan 0.000 0.508 129 G N 2.320 111.127 108.800 0.011 0.000 2.284 129 G HA2 -0.294 3.666 3.960 0.000 0.000 0.261 129 G HA3 -0.294 3.666 3.960 0.000 0.000 0.261 129 G C 0.005 174.920 174.900 0.024 0.000 0.997 129 G CA -0.108 45.002 45.100 0.016 0.000 0.621 129 G HN 0.533 nan 8.290 nan 0.000 0.534 130 N N 0.537 119.250 118.700 0.023 0.000 2.492 130 N HA 0.321 5.061 4.740 0.000 0.000 0.260 130 N C 0.219 175.742 175.510 0.022 0.000 1.215 130 N CA -0.101 52.967 53.050 0.030 0.000 0.923 130 N CB 1.475 39.977 38.487 0.024 0.000 1.092 130 N HN 0.411 nan 8.380 nan 0.000 0.448 131 L N 2.612 123.856 121.223 0.035 0.000 2.367 131 L HA 0.274 4.614 4.340 0.000 0.000 0.275 131 L C -0.092 176.760 176.870 -0.030 0.000 1.129 131 L CA -0.187 54.666 54.840 0.022 0.000 0.839 131 L CB 0.653 42.757 42.059 0.075 0.000 1.133 131 L HN 0.388 nan 8.230 nan 0.000 0.453 132 V N 3.532 123.419 119.914 -0.045 0.000 3.160 132 V HA 0.866 4.986 4.120 0.000 0.000 0.310 132 V C -1.072 174.959 176.094 -0.104 0.000 1.181 132 V CA -0.656 61.603 62.300 -0.068 0.000 1.047 132 V CB 2.133 33.926 31.823 -0.051 0.000 1.068 132 V HN 0.565 nan 8.190 nan 0.000 0.441 133 V N 1.426 121.259 119.914 -0.134 0.000 2.876 133 V HA 0.852 4.972 4.120 0.000 0.000 0.312 133 V C -0.729 175.146 176.094 -0.365 0.000 1.085 133 V CA -0.331 61.791 62.300 -0.297 0.000 0.945 133 V CB 1.559 33.206 31.823 -0.294 0.000 1.017 133 V HN 1.273 nan 8.190 nan 0.000 0.428 134 E N 2.178 122.004 120.200 -0.624 0.000 2.335 134 E HA 0.632 4.983 4.350 0.000 0.000 0.280 134 E C -2.139 174.047 176.600 -0.690 0.000 0.918 134 E CA -0.733 55.389 56.400 -0.463 0.000 0.765 134 E CB 2.090 31.664 29.700 -0.210 0.000 1.218 134 E HN 0.373 nan 8.360 nan 0.000 0.425 135 F N 0.890 120.788 119.950 -0.088 0.000 2.450 135 F HA 0.329 4.856 4.527 0.000 0.000 0.332 135 F C 0.874 176.639 175.800 -0.058 0.000 1.093 135 F CA -1.079 56.868 58.000 -0.088 0.000 1.003 135 F CB 1.528 40.477 39.000 -0.084 0.000 1.151 135 F HN 0.544 nan 8.300 nan 0.000 0.474 136 E N 1.037 121.296 120.200 0.099 0.000 2.467 136 E HA 0.197 4.547 4.350 0.000 0.000 0.264 136 E C 1.271 177.910 176.600 0.064 0.000 1.020 136 E CA 0.961 57.384 56.400 0.039 0.000 0.945 136 E CB 0.398 30.097 29.700 -0.002 0.000 0.942 136 E HN 0.943 nan 8.360 nan 0.000 0.449 137 G N 3.135 111.956 108.800 0.035 0.000 2.200 137 G HA2 -0.282 3.678 3.960 0.000 0.000 0.268 137 G HA3 -0.282 3.678 3.960 0.000 0.000 0.268 137 G C -0.125 174.802 174.900 0.045 0.000 0.986 137 G CA 0.691 45.811 45.100 0.034 0.000 0.677 137 G HN 0.456 nan 8.290 nan 0.000 0.532 138 Q N 0.516 120.357 119.800 0.069 0.000 2.333 138 Q HA 0.490 4.830 4.340 0.000 0.000 0.268 138 Q C 0.515 176.559 176.000 0.074 0.000 1.007 138 Q CA 0.163 56.011 55.803 0.076 0.000 0.810 138 Q CB 1.609 30.416 28.738 0.115 0.000 1.264 138 Q HN 0.468 nan 8.270 nan 0.000 0.452 139 T N -0.295 114.288 114.554 0.048 0.000 2.856 139 T HA 0.503 4.853 4.350 0.000 0.000 0.306 139 T C 0.514 175.249 174.700 0.058 0.000 1.062 139 T CA 0.872 62.996 62.100 0.041 0.000 1.083 139 T CB 0.507 69.390 68.868 0.025 0.000 0.984 139 T HN 0.894 nan 8.240 nan 0.000 0.542 140 G N 1.809 110.637 108.800 0.048 0.000 2.784 140 G HA2 0.042 4.002 3.960 0.000 0.000 0.686 140 G HA3 0.042 4.002 3.960 0.000 0.000 0.686 140 G C -0.840 174.096 174.900 0.060 0.000 1.156 140 G CA -0.712 44.422 45.100 0.056 0.000 0.757 140 G HN 0.905 nan 8.290 nan 0.000 0.642 141 R N 0.353 120.877 120.500 0.040 0.000 2.532 141 R HA 0.715 5.055 4.340 0.000 0.000 0.297 141 R C -0.716 175.601 176.300 0.028 0.000 0.984 141 R CA -0.597 55.511 56.100 0.015 0.000 0.884 141 R CB 1.907 32.203 30.300 -0.007 0.000 1.182 141 R HN 0.575 nan 8.270 nan 0.000 0.442 142 T N 2.930 117.501 114.554 0.028 0.000 2.812 142 T HA 0.256 4.606 4.350 0.000 0.000 0.282 142 T C -0.548 174.157 174.700 0.009 0.000 0.990 142 T CA -0.530 61.597 62.100 0.045 0.000 0.960 142 T CB 1.621 70.554 68.868 0.109 0.000 0.948 142 T HN 0.194 nan 8.240 nan 0.000 0.438 143 V N 5.688 125.608 119.914 0.009 0.000 2.470 143 V HA 0.153 4.273 4.120 0.000 0.000 0.276 143 V C 1.448 177.525 176.094 -0.028 0.000 1.040 143 V CA -0.006 62.288 62.300 -0.010 0.000 1.008 143 V CB 0.386 32.216 31.823 0.011 0.000 0.990 143 V HN 0.855 nan 8.190 nan 0.000 0.477 144 L N 3.572 124.720 121.223 -0.124 0.000 2.068 144 L HA 0.289 4.629 4.340 0.000 0.000 0.204 144 L C 1.061 177.918 176.870 -0.022 0.000 1.076 144 L CA 1.514 56.168 54.840 -0.310 0.000 0.753 144 L CB -0.073 41.423 42.059 -0.938 0.000 0.910 144 L HN 0.814 nan 8.230 nan 0.000 0.439 145 A N -1.048 121.781 122.820 0.017 0.000 2.588 145 A HA 0.647 4.967 4.320 0.000 0.000 0.290 145 A C -0.616 177.025 177.584 0.095 0.000 1.136 145 A CA 0.033 52.148 52.037 0.131 0.000 0.681 145 A CB 1.512 20.663 19.000 0.250 0.000 1.282 145 A HN 0.108 nan 8.150 nan 0.000 0.421 146 T N -2.788 111.827 114.554 0.102 0.000 2.838 146 T HA 0.832 5.182 4.350 0.000 0.000 0.292 146 T C 0.789 175.538 174.700 0.082 0.000 1.113 146 T CA 0.548 62.693 62.100 0.075 0.000 1.008 146 T CB 0.921 69.823 68.868 0.057 0.000 1.259 146 T HN 2.768 nan 8.240 nan 0.000 0.520 147 G N 1.021 109.858 108.800 0.062 0.000 2.547 147 G HA2 -0.258 3.702 3.960 0.000 0.000 0.271 147 G HA3 -0.258 3.702 3.960 0.000 0.000 0.271 147 G C 0.846 175.785 174.900 0.066 0.000 1.209 147 G CA 1.210 46.344 45.100 0.058 0.000 0.959 147 G HN 2.127 nan 8.290 nan 0.000 0.563 148 T N -1.640 112.952 114.554 0.063 0.000 3.169 148 T HA 0.581 4.931 4.350 0.000 0.000 0.250 148 T C 1.994 176.742 174.700 0.081 0.000 1.111 148 T CA 1.269 63.405 62.100 0.060 0.000 1.010 148 T CB 0.369 69.263 68.868 0.045 0.000 0.984 148 T HN 1.784 nan 8.240 nan 0.000 0.537 149 A N 1.099 123.994 122.820 0.126 0.000 2.030 149 A HA 0.679 4.999 4.320 0.000 0.000 0.215 149 A C 2.595 180.353 177.584 0.289 0.000 1.164 149 A CA 0.686 52.845 52.037 0.204 0.000 0.697 149 A CB -0.917 18.241 19.000 0.263 0.000 0.827 149 A HN 0.640 nan 8.150 nan 0.000 0.457 150 A N 0.062 123.013 122.820 0.218 0.000 2.131 150 A HA -0.052 4.268 4.320 0.000 0.000 0.220 150 A C 1.856 179.528 177.584 0.147 0.000 1.158 150 A CA 2.084 54.242 52.037 0.202 0.000 0.665 150 A CB -0.793 18.278 19.000 0.119 0.000 0.795 150 A HN 0.643 nan 8.150 nan 0.000 0.460 151 T N -2.477 112.127 114.554 0.083 0.000 3.132 151 T HA 0.284 4.634 4.350 0.000 0.000 0.274 151 T C 0.286 174.955 174.700 -0.051 0.000 1.011 151 T CA -0.415 61.692 62.100 0.012 0.000 0.899 151 T CB 0.286 69.155 68.868 0.001 0.000 1.089 151 T HN 0.474 nan 8.240 nan 0.000 0.543 152 E N 0.758 120.919 120.200 -0.064 0.000 2.351 152 E HA 0.338 4.688 4.350 0.000 0.000 0.255 152 E C -1.005 175.418 176.600 -0.295 0.000 1.188 152 E CA -0.704 55.596 56.400 -0.165 0.000 0.940 152 E CB 0.738 30.321 29.700 -0.195 0.000 1.094 152 E HN 0.277 nan 8.360 nan 0.000 0.474 153 Y N 0.000 120.151 120.300 -0.248 0.000 2.304 153 Y HA 0.167 4.717 4.550 0.000 0.000 0.327 153 Y C 0.133 175.862 175.900 -0.284 0.000 1.209 153 Y CA 0.702 58.718 58.100 -0.139 0.000 1.299 153 Y CB 0.810 39.240 38.460 -0.050 0.000 1.249 153 Y HN 0.448 nan 8.280 nan 0.000 0.519 154 H N 0.361 119.662 119.070 0.384 0.000 3.008 154 H HA 0.357 4.914 4.556 0.000 0.000 0.354 154 H C -1.061 174.370 175.328 0.170 0.000 1.252 154 H CA -1.332 54.819 56.048 0.171 0.000 1.117 154 H CB 1.435 31.315 29.762 0.196 0.000 1.857 154 H HN 0.249 nan 8.280 nan 0.000 0.547 155 K N 1.797 122.231 120.400 0.056 0.000 2.211 155 K HA 0.307 4.627 4.320 0.000 0.000 0.275 155 K C -1.433 175.116 176.600 -0.085 0.000 1.024 155 K CA -0.255 56.064 56.287 0.053 0.000 0.887 155 K CB 0.630 33.110 32.500 -0.033 0.000 1.084 155 K HN 0.355 nan 8.250 nan 0.000 0.463 156 F N 2.255 122.321 119.950 0.194 0.000 2.507 156 F HA 0.266 4.793 4.527 0.000 0.000 0.328 156 F C 0.237 176.126 175.800 0.148 0.000 1.136 156 F CA -0.678 57.425 58.000 0.172 0.000 0.930 156 F CB 1.695 40.884 39.000 0.316 0.000 1.166 156 F HN 0.311 nan 8.300 nan 0.000 0.436 157 E N 4.158 124.457 120.200 0.165 0.000 2.224 157 E HA 0.519 4.869 4.350 0.000 0.000 0.265 157 E C -1.599 175.233 176.600 0.387 0.000 0.878 157 E CA -1.140 55.421 56.400 0.268 0.000 0.759 157 E CB 3.108 32.924 29.700 0.193 0.000 1.164 157 E HN 0.295 nan 8.360 nan 0.000 0.414 158 L N 3.096 124.629 121.223 0.518 0.000 2.313 158 L HA 0.403 4.743 4.340 0.000 0.000 0.283 158 L C -1.285 175.815 176.870 0.384 0.000 1.013 158 L CA -0.863 54.336 54.840 0.598 0.000 0.816 158 L CB 1.781 44.316 42.059 0.792 0.000 1.236 158 L HN 0.396 nan 8.230 nan 0.000 0.419 159 V N 5.719 125.794 119.914 0.268 0.000 2.444 159 V HA 0.414 4.534 4.120 0.000 0.000 0.294 159 V C -0.858 175.165 176.094 -0.119 0.000 1.022 159 V CA -0.574 61.770 62.300 0.074 0.000 0.850 159 V CB 1.533 33.472 31.823 0.195 0.000 0.992 159 V HN 0.570 nan 8.190 nan 0.000 0.426 160 F N 5.747 125.312 119.950 -0.642 0.000 2.426 160 F HA 0.668 5.195 4.527 0.000 0.000 0.348 160 F C -0.391 175.171 175.800 -0.397 0.000 1.124 160 F CA -0.568 57.015 58.000 -0.695 0.000 1.008 160 F CB 1.226 39.327 39.000 -1.498 0.000 1.139 160 F HN 0.301 nan 8.300 nan 0.000 0.452 161 L N 8.409 129.288 121.223 -0.573 0.000 2.287 161 L HA 0.452 4.792 4.340 0.000 0.000 0.287 161 L C -2.193 174.430 176.870 -0.413 0.000 1.022 161 L CA -2.113 52.515 54.840 -0.354 0.000 0.814 161 L CB 1.265 43.171 42.059 -0.255 0.000 1.217 161 L HN 0.431 nan 8.230 nan 0.000 0.420 162 P HA 0.289 nan 4.420 nan 0.000 0.271 162 P C -0.255 176.998 177.300 -0.078 0.000 1.216 162 P CA 0.100 63.186 63.100 -0.022 0.000 0.776 162 P CB 1.572 33.297 31.700 0.041 0.000 0.881 163 G N 0.423 109.194 108.800 -0.048 0.000 2.523 163 G HA2 0.329 4.289 3.960 0.000 0.000 0.291 163 G HA3 0.329 4.289 3.960 0.000 0.000 0.291 163 G C 0.589 175.483 174.900 -0.009 0.000 1.450 163 G CA -0.222 44.848 45.100 -0.050 0.000 0.790 163 G HN 0.312 nan 8.290 nan 0.000 0.496 164 S N -0.234 115.461 115.700 -0.008 0.000 2.368 164 S HA -0.061 4.410 4.470 0.000 0.000 0.224 164 S C 0.759 175.366 174.600 0.013 0.000 1.029 164 S CA 1.077 59.282 58.200 0.010 0.000 0.988 164 S CB -0.138 63.065 63.200 0.005 0.000 0.838 164 S HN 0.467 nan 8.310 nan 0.000 0.462 165 N N 2.925 121.620 118.700 -0.010 0.000 3.091 165 N HA 0.408 5.148 4.740 0.000 0.000 0.255 165 N C -2.417 173.061 175.510 -0.055 0.000 1.204 165 N CA -1.615 51.426 53.050 -0.015 0.000 0.990 165 N CB 0.549 39.023 38.487 -0.021 0.000 1.260 165 N HN 0.400 nan 8.380 nan 0.000 0.502 166 P HA 0.287 nan 4.420 nan 0.000 0.288 166 P C -0.078 177.071 177.300 -0.252 0.000 1.291 166 P CA -0.160 62.827 63.100 -0.189 0.000 0.766 166 P CB 0.705 32.373 31.700 -0.054 0.000 1.242 167 S N -3.246 112.115 115.700 -0.565 0.000 2.701 167 S HA 0.627 5.097 4.470 0.000 0.000 0.267 167 S C -1.759 172.467 174.600 -0.624 0.000 1.034 167 S CA -0.398 57.569 58.200 -0.387 0.000 0.867 167 S CB 0.067 63.135 63.200 -0.220 0.000 1.123 167 S HN 0.832 nan 8.310 nan 0.000 0.470 168 A N 0.560 123.256 122.820 -0.207 0.000 2.594 168 A HA 0.981 5.301 4.320 0.000 0.000 0.291 168 A C -0.453 177.112 177.584 -0.032 0.000 1.105 168 A CA -0.201 51.795 52.037 -0.070 0.000 0.694 168 A CB 1.347 20.503 19.000 0.262 0.000 1.291 168 A HN 2.261 nan 8.150 nan 0.000 0.410 169 S N -0.375 115.337 115.700 0.020 0.000 2.570 169 S HA 0.820 5.290 4.470 0.000 0.000 0.286 169 S C -1.151 173.468 174.600 0.032 0.000 1.099 169 S CA -0.513 57.643 58.200 -0.073 0.000 0.913 169 S CB 1.536 64.658 63.200 -0.130 0.000 1.085 169 S HN 1.329 nan 8.310 nan 0.000 0.480 170 F N 2.002 121.761 119.950 -0.319 0.000 2.482 170 F HA 0.719 5.246 4.527 0.000 0.000 0.331 170 F C -1.849 173.774 175.800 -0.295 0.000 1.115 170 F CA -1.053 56.907 58.000 -0.066 0.000 0.955 170 F CB 1.157 40.242 39.000 0.142 0.000 1.136 170 F HN 0.668 nan 8.300 nan 0.000 0.452 171 Y N 5.938 126.040 120.300 -0.330 0.000 2.409 171 Y HA 0.469 5.019 4.550 0.000 0.000 0.343 171 Y C -1.150 174.515 175.900 -0.392 0.000 0.973 171 Y CA -1.262 56.695 58.100 -0.239 0.000 1.064 171 Y CB 1.649 40.043 38.460 -0.110 0.000 1.207 171 Y HN 0.494 nan 8.280 nan 0.000 0.452 172 F N 4.301 124.077 119.950 -0.290 0.000 2.403 172 F HA 0.459 4.987 4.527 0.000 0.000 0.355 172 F C -0.253 175.390 175.800 -0.262 0.000 1.119 172 F CA -1.404 56.343 58.000 -0.422 0.000 1.007 172 F CB 0.668 39.451 39.000 -0.362 0.000 1.194 172 F HN 0.677 nan 8.300 nan 0.000 0.443 173 D N 4.504 124.544 120.400 -0.601 0.000 2.746 173 D HA -0.157 4.484 4.640 0.000 0.000 0.236 173 D C 1.280 177.438 176.300 -0.236 0.000 1.129 173 D CA 1.642 55.339 54.000 -0.504 0.000 0.691 173 D CB -1.229 39.083 40.800 -0.815 0.000 1.077 173 D HN 1.241 nan 8.370 nan 0.000 0.432 174 G N -0.715 108.011 108.800 -0.123 0.000 2.196 174 G HA2 -0.415 3.545 3.960 0.000 0.000 0.268 174 G HA3 -0.415 3.545 3.960 0.000 0.000 0.268 174 G C 0.485 175.402 174.900 0.027 0.000 0.975 174 G CA 1.104 46.172 45.100 -0.053 0.000 0.648 174 G HN 0.648 nan 8.290 nan 0.000 0.538 175 K N -0.397 120.022 120.400 0.032 0.000 2.090 175 K HA 0.714 5.034 4.320 0.000 0.000 0.249 175 K C -0.281 176.444 176.600 0.208 0.000 0.995 175 K CA -1.039 55.300 56.287 0.087 0.000 0.914 175 K CB 0.814 33.336 32.500 0.038 0.000 1.057 175 K HN 0.233 nan 8.250 nan 0.000 0.462 176 L N 3.610 124.927 121.223 0.156 0.000 2.282 176 L HA 0.301 4.641 4.340 0.000 0.000 0.288 176 L C -0.191 176.657 176.870 -0.036 0.000 1.033 176 L CA 0.191 55.011 54.840 -0.033 0.000 0.807 176 L CB 1.156 43.194 42.059 -0.035 0.000 1.209 176 L HN 0.770 nan 8.230 nan 0.000 0.423 177 I N 2.954 123.503 120.570 -0.036 0.000 2.726 177 I HA 0.355 4.525 4.170 0.000 0.000 0.243 177 I C 0.825 176.971 176.117 0.049 0.000 1.082 177 I CA 0.180 61.543 61.300 0.105 0.000 1.447 177 I CB -0.344 37.850 38.000 0.323 0.000 1.250 177 I HN 0.478 nan 8.210 nan 0.000 0.453 178 R N 1.096 121.601 120.500 0.008 0.000 2.740 178 R HA 0.490 4.830 4.340 0.000 0.000 0.282 178 R C -1.793 174.379 176.300 -0.214 0.000 0.969 178 R CA -0.461 55.556 56.100 -0.140 0.000 0.918 178 R CB 1.943 32.024 30.300 -0.365 0.000 1.175 178 R HN 0.109 nan 8.270 nan 0.000 0.464 179 D N 0.406 120.691 120.400 -0.192 0.000 2.645 179 D HA 0.365 5.005 4.640 0.000 0.000 0.228 179 D C -0.693 175.519 176.300 -0.145 0.000 1.148 179 D CA -0.063 53.835 54.000 -0.171 0.000 0.860 179 D CB 0.906 41.626 40.800 -0.134 0.000 1.548 179 D HN 0.574 nan 8.370 nan 0.000 0.460 180 N N 1.319 119.942 118.700 -0.129 0.000 2.937 180 N HA -0.149 4.591 4.740 0.000 0.000 0.248 180 N C -0.491 174.961 175.510 -0.096 0.000 1.069 180 N CA 0.302 53.289 53.050 -0.105 0.000 0.822 180 N CB -1.728 36.709 38.487 -0.083 0.000 1.122 180 N HN 0.533 nan 8.380 nan 0.000 0.554 181 I N 1.593 122.093 120.570 -0.117 0.000 2.671 181 I HA -0.105 4.065 4.170 0.000 0.000 0.285 181 I C 1.083 177.208 176.117 0.014 0.000 1.148 181 I CA 0.736 61.978 61.300 -0.096 0.000 1.386 181 I CB 0.113 38.037 38.000 -0.126 0.000 1.406 181 I HN -0.076 nan 8.210 nan 0.000 0.540 182 Q N 8.174 127.988 119.800 0.022 0.000 2.296 182 Q HA 0.253 4.593 4.340 0.000 0.000 0.262 182 Q C -2.117 173.954 176.000 0.117 0.000 0.981 182 Q CA -1.758 54.083 55.803 0.064 0.000 0.905 182 Q CB 0.823 29.584 28.738 0.038 0.000 1.186 182 Q HN 0.365 nan 8.270 nan 0.000 0.399 183 P HA 0.016 nan 4.420 nan 0.000 0.267 183 P C -0.688 176.688 177.300 0.126 0.000 1.205 183 P CA 0.160 63.386 63.100 0.209 0.000 0.765 183 P CB 0.623 32.495 31.700 0.287 0.000 0.828 184 T N 0.658 115.271 114.554 0.097 0.000 2.910 184 T HA 0.681 5.031 4.350 0.000 0.000 0.279 184 T C 0.170 174.889 174.700 0.032 0.000 0.989 184 T CA -0.754 61.378 62.100 0.054 0.000 0.968 184 T CB 1.043 69.932 68.868 0.035 0.000 1.135 184 T HN 0.417 nan 8.240 nan 0.000 0.562 185 A N 0.604 123.432 122.820 0.012 0.000 2.302 185 A HA 0.776 5.096 4.320 0.000 0.000 0.285 185 A C 0.371 177.943 177.584 -0.021 0.000 1.105 185 A CA -0.327 51.708 52.037 -0.003 0.000 0.816 185 A CB 0.366 19.365 19.000 -0.002 0.000 1.067 185 A HN 1.111 nan 8.150 nan 0.000 0.489 186 S N -0.064 115.618 115.700 -0.030 0.000 2.663 186 S HA 0.454 4.925 4.470 0.000 0.000 0.264 186 S C -0.838 173.733 174.600 -0.049 0.000 1.112 186 S CA -0.416 57.761 58.200 -0.038 0.000 0.823 186 S CB 0.630 63.806 63.200 -0.040 0.000 1.111 186 S HN 0.579 nan 8.310 nan 0.000 0.476 187 K N 0.415 120.784 120.400 -0.051 0.000 2.517 187 K HA 0.241 4.561 4.320 0.000 0.000 0.210 187 K C -0.231 176.325 176.600 -0.074 0.000 1.166 187 K CA -0.094 56.155 56.287 -0.063 0.000 1.030 187 K CB 0.633 33.105 32.500 -0.047 0.000 0.974 187 K HN 0.607 nan 8.250 nan 0.000 0.585 188 Q N 2.359 122.123 119.800 -0.059 0.000 2.330 188 Q HA 0.040 4.380 4.340 0.000 0.000 0.279 188 Q C 0.126 176.060 176.000 -0.110 0.000 1.024 188 Q CA 0.418 56.190 55.803 -0.051 0.000 0.900 188 Q CB 0.395 29.140 28.738 0.011 0.000 1.221 188 Q HN 0.159 nan 8.270 nan 0.000 0.396 189 N N 4.751 123.379 118.700 -0.119 0.000 2.576 189 N HA 0.463 5.203 4.740 0.000 0.000 0.269 189 N C -0.991 174.459 175.510 -0.101 0.000 1.058 189 N CA -0.258 52.682 53.050 -0.182 0.000 0.860 189 N CB 0.902 39.251 38.487 -0.230 0.000 1.249 189 N HN 0.723 nan 8.380 nan 0.000 0.525 190 M N -0.274 119.243 119.600 -0.138 0.000 3.166 190 M HA 0.348 4.828 4.480 0.000 0.000 0.261 190 M C -2.225 173.949 176.300 -0.209 0.000 0.905 190 M CA -0.787 54.446 55.300 -0.112 0.000 0.795 190 M CB 0.806 33.363 32.600 -0.073 0.000 1.589 190 M HN 0.072 nan 8.290 nan 0.000 0.570 191 I N 1.616 122.086 120.570 -0.167 0.000 2.392 191 I HA 0.791 4.961 4.170 0.000 0.000 0.295 191 I C -0.687 175.449 176.117 0.031 0.000 0.985 191 I CA -0.913 60.278 61.300 -0.181 0.000 1.221 191 I CB 1.901 39.726 38.000 -0.291 0.000 1.366 191 I HN 0.447 nan 8.210 nan 0.000 0.467 192 V N 4.994 124.832 119.914 -0.127 0.000 2.971 192 V HA 0.580 4.701 4.120 0.000 0.000 0.309 192 V C -1.428 174.721 176.094 0.093 0.000 1.130 192 V CA -0.532 61.709 62.300 -0.099 0.000 0.964 192 V CB 2.364 33.871 31.823 -0.526 0.000 1.029 192 V HN 0.854 nan 8.190 nan 0.000 0.427 193 W N 2.162 123.384 121.300 -0.129 0.000 3.372 193 W HA 0.841 5.501 4.660 0.000 0.000 0.315 193 W C -0.099 176.316 176.519 -0.173 0.000 1.223 193 W CA -0.424 56.844 57.345 -0.129 0.000 1.202 193 W CB 0.971 30.289 29.460 -0.237 0.000 1.367 193 W HN 1.216 nan 8.180 nan 0.000 0.531 194 G N 2.128 110.954 108.800 0.043 0.000 2.225 194 G HA2 -0.048 3.912 3.960 0.000 0.000 0.203 194 G HA3 -0.048 3.912 3.960 0.000 0.000 0.203 194 G C -1.815 173.140 174.900 0.093 0.000 1.335 194 G CA -0.547 44.519 45.100 -0.055 0.000 1.183 194 G HN 0.877 nan 8.290 nan 0.000 0.488 195 N N 0.685 119.390 118.700 0.009 0.000 2.469 195 N HA 0.554 5.294 4.740 0.000 0.000 0.253 195 N C 0.961 176.466 175.510 -0.009 0.000 0.970 195 N CA 0.674 53.739 53.050 0.024 0.000 0.940 195 N CB 1.411 39.904 38.487 0.010 0.000 1.128 195 N HN 1.024 nan 8.380 nan 0.000 0.503 196 G N 1.410 110.228 108.800 0.029 0.000 3.141 196 G HA2 0.028 3.988 3.960 0.000 0.000 0.218 196 G HA3 0.028 3.988 3.960 0.000 0.000 0.218 196 G C 0.017 174.918 174.900 0.001 0.000 1.170 196 G CA -0.179 44.938 45.100 0.028 0.000 0.769 196 G HN 0.513 nan 8.290 nan 0.000 0.546 197 S N -0.679 115.015 115.700 -0.011 0.000 2.454 197 S HA 0.499 4.970 4.470 0.000 0.000 0.306 197 S C 1.222 175.804 174.600 -0.030 0.000 1.100 197 S CA -0.526 57.661 58.200 -0.021 0.000 1.087 197 S CB 1.704 64.892 63.200 -0.019 0.000 1.019 197 S HN 0.066 nan 8.310 nan 0.000 0.480 198 S N 3.386 119.066 115.700 -0.033 0.000 2.425 198 S HA -0.063 4.407 4.470 0.000 0.000 0.225 198 S C 1.479 176.060 174.600 -0.032 0.000 1.024 198 S CA 1.155 59.332 58.200 -0.038 0.000 0.951 198 S CB -0.255 62.921 63.200 -0.039 0.000 0.796 198 S HN 0.927 nan 8.310 nan 0.000 0.498 199 N N 0.260 118.944 118.700 -0.028 0.000 2.336 199 N HA 0.053 4.793 4.740 0.000 0.000 0.189 199 N C -0.134 175.363 175.510 -0.022 0.000 1.113 199 N CA 0.270 53.306 53.050 -0.024 0.000 0.858 199 N CB 0.119 38.592 38.487 -0.023 0.000 0.970 199 N HN -0.056 nan 8.380 nan 0.000 0.471 200 T N 1.005 115.545 114.554 -0.022 0.000 2.791 200 T HA 0.193 4.543 4.350 0.000 0.000 0.288 200 T C -1.291 173.398 174.700 -0.017 0.000 0.999 200 T CA -0.611 61.477 62.100 -0.019 0.000 0.952 200 T CB 0.954 69.811 68.868 -0.019 0.000 0.938 200 T HN 0.045 nan 8.240 nan 0.000 0.444 201 D N 2.302 122.693 120.400 -0.015 0.000 2.424 201 D HA 0.481 5.122 4.640 0.000 0.000 0.244 201 D C 0.402 176.698 176.300 -0.006 0.000 1.134 201 D CA 0.582 54.574 54.000 -0.013 0.000 0.881 201 D CB 0.989 41.782 40.800 -0.013 0.000 1.191 201 D HN 0.697 nan 8.370 nan 0.000 0.445 202 G N 0.094 108.894 108.800 0.001 0.000 2.739 202 G HA2 0.513 4.473 3.960 0.000 0.000 0.292 202 G HA3 0.513 4.473 3.960 0.000 0.000 0.292 202 G C -1.404 173.513 174.900 0.029 0.000 1.444 202 G CA -0.536 44.574 45.100 0.016 0.000 1.144 202 G HN 0.314 nan 8.290 nan 0.000 0.550 203 V N 0.669 120.601 119.914 0.030 0.000 2.531 203 V HA 0.909 5.029 4.120 0.000 0.000 0.301 203 V C 0.170 176.296 176.094 0.054 0.000 1.034 203 V CA -0.515 61.808 62.300 0.039 0.000 0.865 203 V CB 1.138 32.967 31.823 0.009 0.000 0.995 203 V HN 1.479 nan 8.190 nan 0.000 0.424 204 A N 3.479 126.370 122.820 0.119 0.000 2.566 204 A HA 0.919 5.239 4.320 0.000 0.000 0.297 204 A C -0.540 177.174 177.584 0.215 0.000 1.059 204 A CA -0.171 51.928 52.037 0.104 0.000 0.691 204 A CB 1.669 20.702 19.000 0.054 0.000 1.282 204 A HN 1.541 nan 8.150 nan 0.000 0.401 205 A N 1.248 124.102 122.820 0.056 0.000 2.274 205 A HA 0.676 4.996 4.320 0.000 0.000 0.309 205 A C -1.338 176.394 177.584 0.246 0.000 1.226 205 A CA -0.166 51.997 52.037 0.211 0.000 0.853 205 A CB -0.005 19.077 19.000 0.137 0.000 1.146 205 A HN 0.771 nan 8.150 nan 0.000 0.518 206 Y N 1.572 122.147 120.300 0.458 0.000 2.369 206 Y HA 0.391 4.941 4.550 0.000 0.000 0.337 206 Y C 1.343 177.516 175.900 0.454 0.000 0.961 206 Y CA -0.453 57.925 58.100 0.464 0.000 1.186 206 Y CB 1.673 40.407 38.460 0.458 0.000 1.139 206 Y HN 0.898 nan 8.280 nan 0.000 0.494 207 R N 0.782 121.550 120.500 0.447 0.000 2.161 207 R HA 0.070 4.410 4.340 0.000 0.000 0.213 207 R C -0.608 175.736 176.300 0.073 0.000 1.055 207 R CA 1.071 57.262 56.100 0.151 0.000 0.996 207 R CB 0.480 30.632 30.300 -0.246 0.000 0.901 207 R HN 0.610 nan 8.270 nan 0.000 0.456 208 D N -0.868 119.595 120.400 0.105 0.000 2.706 208 D HA 0.281 4.921 4.640 0.000 0.000 0.225 208 D C -1.562 174.744 176.300 0.011 0.000 1.241 208 D CA -0.436 53.567 54.000 0.005 0.000 0.784 208 D CB 1.755 42.544 40.800 -0.019 0.000 1.521 208 D HN -0.050 nan 8.370 nan 0.000 0.461 209 I N 2.113 122.634 120.570 -0.082 0.000 2.512 209 I HA 0.331 4.501 4.170 0.000 0.000 0.287 209 I C -0.444 175.702 176.117 0.048 0.000 1.069 209 I CA -0.497 60.720 61.300 -0.140 0.000 1.056 209 I CB 2.001 39.563 38.000 -0.730 0.000 1.229 209 I HN 0.165 nan 8.210 nan 0.000 0.429 210 K N 5.311 125.801 120.400 0.150 0.000 2.443 210 K HA 0.548 4.868 4.320 0.000 0.000 0.252 210 K C -1.635 175.150 176.600 0.308 0.000 0.933 210 K CA -0.548 55.864 56.287 0.209 0.000 0.792 210 K CB 2.968 35.540 32.500 0.120 0.000 1.185 210 K HN 0.344 nan 8.250 nan 0.000 0.425 211 F N 2.298 122.373 119.950 0.208 0.000 2.493 211 F HA 0.340 4.867 4.527 0.000 0.000 0.329 211 F C -0.823 175.109 175.800 0.220 0.000 1.126 211 F CA -0.556 57.578 58.000 0.223 0.000 0.937 211 F CB 1.554 40.671 39.000 0.195 0.000 1.146 211 F HN 0.463 nan 8.300 nan 0.000 0.442 212 E N 6.774 126.701 120.200 -0.454 0.000 2.216 212 E HA 0.431 4.781 4.350 0.000 0.000 0.260 212 E C -1.345 175.102 176.600 -0.254 0.000 0.880 212 E CA -0.574 55.696 56.400 -0.217 0.000 0.765 212 E CB 1.221 30.862 29.700 -0.099 0.000 1.174 212 E HN 0.648 nan 8.360 nan 0.000 0.417 213 I N 5.249 125.800 120.570 -0.032 0.000 2.312 213 I HA 0.041 4.211 4.170 0.000 0.000 0.291 213 I C 1.441 177.619 176.117 0.102 0.000 1.031 213 I CA -0.648 60.709 61.300 0.096 0.000 1.293 213 I CB 1.152 39.294 38.000 0.238 0.000 1.403 213 I HN 0.610 nan 8.210 nan 0.000 0.484 214 Q N 4.728 124.612 119.800 0.140 0.000 1.094 214 Q HA -0.169 4.171 4.340 0.000 0.000 0.742 214 Q C 1.285 177.302 176.000 0.029 0.000 0.940 214 Q CA 1.469 57.341 55.803 0.115 0.000 0.858 214 Q CB -0.800 28.043 28.738 0.174 0.000 0.917 214 Q HN 0.856 nan 8.270 nan 0.000 0.281 215 G N 2.897 111.658 108.800 -0.065 0.000 2.661 215 G HA2 0.086 4.046 3.960 0.000 0.000 0.292 215 G HA3 0.086 4.046 3.960 0.000 0.000 0.292 215 G C -0.823 173.845 174.900 -0.386 0.000 0.781 215 G CA -0.195 44.655 45.100 -0.418 0.000 1.860 215 G HN 0.116 nan 8.290 nan 0.000 0.512 216 D N 1.074 121.348 120.400 -0.209 0.000 2.351 216 D HA 0.165 4.805 4.640 0.000 0.000 0.251 216 D C 0.534 176.679 176.300 -0.258 0.000 1.137 216 D CA -0.140 53.755 54.000 -0.175 0.000 0.879 216 D CB 1.942 42.685 40.800 -0.095 0.000 1.181 216 D HN 0.063 nan 8.370 nan 0.000 0.448 217 V N 4.144 123.917 119.914 -0.236 0.000 2.521 217 V HA 0.034 4.154 4.120 0.000 0.000 0.286 217 V C 1.484 177.381 176.094 -0.328 0.000 1.034 217 V CA 0.224 62.376 62.300 -0.246 0.000 1.045 217 V CB 1.062 32.790 31.823 -0.157 0.000 0.974 217 V HN 0.545 nan 8.190 nan 0.000 0.480 218 I N 4.063 124.356 120.570 -0.462 0.000 3.445 218 I HA 0.329 4.499 4.170 0.000 0.000 0.288 218 I C -0.098 175.554 176.117 -0.774 0.000 1.198 218 I CA 0.552 61.377 61.300 -0.791 0.000 1.417 218 I CB 0.597 37.845 38.000 -1.254 0.000 1.205 218 I HN 0.423 nan 8.210 nan 0.000 0.448 219 F N 1.376 121.166 119.950 -0.266 0.000 2.551 219 F HA 0.581 5.108 4.527 0.000 0.000 0.316 219 F C 0.069 175.782 175.800 -0.145 0.000 1.089 219 F CA -0.648 57.238 58.000 -0.190 0.000 0.915 219 F CB 1.435 40.331 39.000 -0.174 0.000 1.186 219 F HN -0.232 nan 8.300 nan 0.000 0.456 220 R N 0.249 120.805 120.500 0.092 0.000 2.604 220 R HA 0.655 4.995 4.340 0.000 0.000 0.287 220 R C 0.239 176.545 176.300 0.009 0.000 0.970 220 R CA -0.683 55.430 56.100 0.022 0.000 0.946 220 R CB 1.497 31.797 30.300 0.001 0.000 1.127 220 R HN 0.887 nan 8.270 nan 0.000 0.473 221 G N 2.140 110.935 108.800 -0.008 0.000 2.559 221 G HA2 0.071 4.031 3.960 0.000 0.000 0.235 221 G HA3 0.071 4.031 3.960 0.000 0.000 0.235 221 G C -1.690 173.196 174.900 -0.023 0.000 1.266 221 G CA -0.902 44.183 45.100 -0.025 0.000 0.847 221 G HN 0.528 nan 8.290 nan 0.000 0.583 222 P HA 0.109 nan 4.420 nan 0.000 0.257 222 P C -0.486 176.772 177.300 -0.069 0.000 1.325 222 P CA -0.262 62.808 63.100 -0.049 0.000 0.850 222 P CB 0.317 31.990 31.700 -0.046 0.000 1.324 223 D N 1.563 121.922 120.400 -0.067 0.000 2.458 223 D HA 0.144 4.785 4.640 0.000 0.000 0.243 223 D C 0.841 177.062 176.300 -0.132 0.000 1.146 223 D CA 0.723 54.659 54.000 -0.107 0.000 0.877 223 D CB 1.037 41.769 40.800 -0.112 0.000 1.176 223 D HN 0.108 nan 8.370 nan 0.000 0.461 224 R N 1.247 121.645 120.500 -0.170 0.000 2.846 224 R HA 0.458 4.798 4.340 0.000 0.000 0.263 224 R C -0.369 175.810 176.300 -0.202 0.000 1.080 224 R CA -0.960 55.024 56.100 -0.193 0.000 0.961 224 R CB 1.640 31.802 30.300 -0.230 0.000 1.231 224 R HN 0.244 nan 8.270 nan 0.000 0.465 225 I N -0.938 119.512 120.570 -0.200 0.000 6.027 225 I HA -0.135 4.035 4.170 0.000 0.000 0.126 225 I C -2.360 173.746 176.117 -0.018 0.000 1.820 225 I CA -0.235 61.016 61.300 -0.081 0.000 2.038 225 I CB -2.676 35.287 38.000 -0.062 0.000 3.426 225 I HN 0.480 nan 8.210 nan 0.000 0.169 226 P HA 0.462 nan 4.420 nan 0.000 0.274 226 P C 0.090 177.471 177.300 0.134 0.000 1.246 226 P CA 0.275 63.393 63.100 0.031 0.000 0.795 226 P CB 1.604 33.349 31.700 0.075 0.000 1.006 227 S N 0.243 116.062 115.700 0.199 0.000 2.638 227 S HA 0.833 5.303 4.470 0.000 0.000 0.274 227 S C -0.849 173.937 174.600 0.310 0.000 1.157 227 S CA -0.780 57.570 58.200 0.250 0.000 0.826 227 S CB 1.593 64.925 63.200 0.220 0.000 1.139 227 S HN 0.571 nan 8.310 nan 0.000 0.474 228 I N 0.311 121.047 120.570 0.275 0.000 2.882 228 I HA 0.716 4.886 4.170 0.000 0.000 0.298 228 I C -1.879 174.207 176.117 -0.051 0.000 1.462 228 I CA -0.667 60.747 61.300 0.190 0.000 1.000 228 I CB 2.006 40.110 38.000 0.174 0.000 1.340 228 I HN 0.715 nan 8.210 nan 0.000 0.462 229 V N 3.843 123.604 119.914 -0.254 0.000 3.242 229 V HA 0.908 5.028 4.120 0.000 0.000 0.298 229 V C -1.022 174.687 176.094 -0.642 0.000 1.352 229 V CA -0.392 61.309 62.300 -0.998 0.000 1.052 229 V CB 2.017 33.448 31.823 -0.652 0.000 1.101 229 V HN 0.873 nan 8.190 nan 0.000 0.446 230 A N 0.992 123.324 122.820 -0.814 0.000 2.498 230 A HA 0.867 5.187 4.320 0.000 0.000 0.298 230 A C -0.535 176.662 177.584 -0.645 0.000 1.075 230 A CA -0.399 51.390 52.037 -0.413 0.000 0.714 230 A CB 1.991 20.905 19.000 -0.144 0.000 1.299 230 A HN 0.887 nan 8.150 nan 0.000 0.407 231 S N -0.214 115.131 115.700 -0.590 0.000 2.565 231 S HA 0.405 4.875 4.470 0.000 0.000 0.274 231 S C 1.256 175.603 174.600 -0.423 0.000 1.309 231 S CA 0.164 57.872 58.200 -0.821 0.000 1.043 231 S CB 0.553 63.560 63.200 -0.322 0.000 0.939 231 S HN 1.358 nan 8.310 nan 0.000 0.504 232 S N 3.397 118.930 115.700 -0.278 0.000 2.497 232 S HA 0.051 4.521 4.470 0.000 0.000 0.221 232 S C 1.592 176.204 174.600 0.020 0.000 1.037 232 S CA 0.190 58.367 58.200 -0.039 0.000 0.920 232 S CB -0.272 62.976 63.200 0.079 0.000 0.800 232 S HN 0.487 nan 8.310 nan 0.000 0.505 233 V N 2.136 122.108 119.914 0.097 0.000 2.453 233 V HA 0.026 4.146 4.120 0.000 0.000 0.247 233 V C 0.870 176.978 176.094 0.023 0.000 1.048 233 V CA 1.553 63.901 62.300 0.081 0.000 1.049 233 V CB -0.560 31.345 31.823 0.137 0.000 0.672 233 V HN 0.544 nan 8.190 nan 0.000 0.457 234 T N 1.702 116.255 114.554 -0.001 0.000 3.253 234 T HA 0.311 4.662 4.350 0.000 0.000 0.391 234 T C -2.636 172.028 174.700 -0.060 0.000 1.527 234 T CA -1.092 60.990 62.100 -0.030 0.000 1.268 234 T CB 1.050 69.901 68.868 -0.029 0.000 1.126 234 T HN 0.160 nan 8.240 nan 0.000 0.620 235 P HA 0.179 nan 4.420 nan 0.000 0.258 235 P C 1.141 178.392 177.300 -0.082 0.000 1.172 235 P CA 1.189 64.249 63.100 -0.068 0.000 0.762 235 P CB 0.265 31.934 31.700 -0.052 0.000 0.764 236 G N 1.559 110.299 108.800 -0.099 0.000 2.307 236 G HA2 -0.199 3.761 3.960 0.000 0.000 0.210 236 G HA3 -0.199 3.761 3.960 0.000 0.000 0.210 236 G C -0.080 174.727 174.900 -0.155 0.000 1.005 236 G CA -0.225 44.801 45.100 -0.122 0.000 0.634 236 G HN 0.512 nan 8.290 nan 0.000 0.496 237 V N 2.455 122.289 119.914 -0.134 0.000 2.439 237 V HA 0.520 4.640 4.120 0.000 0.000 0.271 237 V C 0.675 176.677 176.094 -0.154 0.000 1.040 237 V CA -0.247 61.974 62.300 -0.131 0.000 1.002 237 V CB 1.163 32.949 31.823 -0.063 0.000 1.000 237 V HN 0.427 nan 8.190 nan 0.000 0.477 238 V N 3.894 123.696 119.914 -0.186 0.000 2.715 238 V HA 0.623 4.743 4.120 0.000 0.000 0.310 238 V C 0.137 176.197 176.094 -0.058 0.000 1.054 238 V CA -0.480 61.739 62.300 -0.135 0.000 0.928 238 V CB 2.228 33.970 31.823 -0.135 0.000 1.007 238 V HN 0.861 nan 8.190 nan 0.000 0.437 239 T N 3.029 117.585 114.554 0.004 0.000 2.930 239 T HA 0.694 5.044 4.350 0.000 0.000 0.313 239 T C -0.194 174.530 174.700 0.039 0.000 1.019 239 T CA -0.231 61.869 62.100 0.000 0.000 1.004 239 T CB 1.348 70.199 68.868 -0.029 0.000 0.987 239 T HN 1.012 nan 8.240 nan 0.000 0.456 240 A N 3.360 126.180 122.820 -0.000 0.000 2.312 240 A HA 0.954 5.274 4.320 0.000 0.000 0.328 240 A C -1.061 176.417 177.584 -0.177 0.000 1.158 240 A CA -0.551 51.523 52.037 0.061 0.000 0.821 240 A CB 0.616 19.659 19.000 0.072 0.000 1.170 240 A HN 0.686 nan 8.150 nan 0.000 0.490 241 F N 0.007 120.071 119.950 0.191 0.000 2.620 241 F HA 0.818 5.346 4.527 0.000 0.000 0.320 241 F C 0.499 176.060 175.800 -0.398 0.000 1.069 241 F CA 0.243 58.212 58.000 -0.051 0.000 0.953 241 F CB 2.472 41.446 39.000 -0.043 0.000 1.322 241 F HN 0.915 nan 8.300 nan 0.000 0.479 242 A N 0.256 122.821 122.820 -0.425 0.000 2.506 242 A HA 0.675 4.995 4.320 0.000 0.000 0.305 242 A C -1.914 175.455 177.584 -0.358 0.000 1.166 242 A CA -0.954 50.763 52.037 -0.533 0.000 0.638 242 A CB 1.238 19.572 19.000 -1.109 0.000 1.336 242 A HN 0.663 nan 8.150 nan 0.000 0.493 243 E N 0.712 120.740 120.200 -0.286 0.000 2.113 243 E HA 0.398 4.748 4.350 0.000 0.000 0.273 243 E C -1.074 175.420 176.600 -0.176 0.000 0.924 243 E CA -0.829 55.463 56.400 -0.180 0.000 0.764 243 E CB 1.679 31.319 29.700 -0.102 0.000 1.104 243 E HN 0.407 nan 8.360 nan 0.000 0.406 244 K N 3.236 123.549 120.400 -0.145 0.000 2.378 244 K HA 0.070 4.390 4.320 0.000 0.000 0.288 244 K C -0.544 176.017 176.600 -0.065 0.000 1.057 244 K CA 0.073 56.297 56.287 -0.104 0.000 0.971 244 K CB 0.355 32.804 32.500 -0.085 0.000 0.975 244 K HN 0.352 nan 8.250 nan 0.000 0.475 245 R N 3.831 124.293 120.500 -0.064 0.000 2.332 245 R HA 0.246 4.586 4.340 0.000 0.000 0.306 245 R C -0.894 175.384 176.300 -0.037 0.000 1.117 245 R CA -0.749 55.323 56.100 -0.047 0.000 1.108 245 R CB 1.012 31.275 30.300 -0.062 0.000 1.126 245 R HN 0.266 nan 8.270 nan 0.000 0.548 246 V N 2.684 122.583 119.914 -0.025 0.000 2.352 246 V HA 0.295 4.416 4.120 0.000 0.000 0.253 246 V C 1.244 177.325 176.094 -0.022 0.000 1.083 246 V CA 0.662 62.949 62.300 -0.022 0.000 0.993 246 V CB 0.578 32.391 31.823 -0.016 0.000 1.111 246 V HN 1.135 nan 8.190 nan 0.000 0.490 247 G N 3.156 111.941 108.800 -0.026 0.000 2.421 247 G HA2 0.223 4.183 3.960 0.000 0.000 0.188 247 G HA3 0.223 4.183 3.960 0.000 0.000 0.188 247 G C 0.641 175.522 174.900 -0.031 0.000 1.001 247 G CA -0.130 44.954 45.100 -0.026 0.000 0.693 247 G HN 1.938 nan 8.290 nan 0.000 0.479 248 G N -0.588 108.190 108.800 -0.037 0.000 2.846 248 G HA2 0.497 4.457 3.960 0.000 0.000 0.660 248 G HA3 0.497 4.457 3.960 0.000 0.000 0.660 248 G C 1.286 176.155 174.900 -0.051 0.000 1.464 248 G CA 1.134 46.206 45.100 -0.046 0.000 0.891 248 G HN 2.685 nan 8.290 nan 0.000 0.552 249 G N 0.031 108.793 108.800 -0.063 0.000 2.692 249 G HA2 0.367 4.327 3.960 0.000 0.000 0.686 249 G HA3 0.367 4.327 3.960 0.000 0.000 0.686 249 G C -0.372 174.478 174.900 -0.083 0.000 1.243 249 G CA 0.369 45.427 45.100 -0.069 0.000 0.782 249 G HN 1.389 nan 8.290 nan 0.000 0.625 250 D N 2.200 122.543 120.400 -0.096 0.000 2.400 250 D HA 0.353 4.993 4.640 0.000 0.000 0.238 250 D C -1.437 174.779 176.300 -0.140 0.000 1.157 250 D CA -0.030 53.897 54.000 -0.122 0.000 0.889 250 D CB 0.491 41.212 40.800 -0.131 0.000 1.199 250 D HN 0.356 nan 8.370 nan 0.000 0.436 251 P HA 0.051 nan 4.420 nan 0.000 0.266 251 P C 0.834 177.982 177.300 -0.254 0.000 1.193 251 P CA 0.307 63.281 63.100 -0.210 0.000 0.770 251 P CB 0.607 32.103 31.700 -0.339 0.000 0.836 252 G N 0.417 109.119 108.800 -0.165 0.000 2.218 252 G HA2 -0.107 3.853 3.960 0.000 0.000 0.216 252 G HA3 -0.107 3.853 3.960 0.000 0.000 0.216 252 G C 0.301 175.149 174.900 -0.088 0.000 0.994 252 G CA 0.038 45.057 45.100 -0.135 0.000 0.637 252 G HN 0.859 nan 8.290 nan 0.000 0.505 253 A N 0.215 122.987 122.820 -0.079 0.000 2.409 253 A HA 0.700 5.020 4.320 0.000 0.000 0.267 253 A C 1.401 178.958 177.584 -0.045 0.000 1.127 253 A CA 0.495 52.497 52.037 -0.058 0.000 0.795 253 A CB 0.639 19.607 19.000 -0.054 0.000 1.061 253 A HN 1.182 nan 8.150 nan 0.000 0.502 254 L N 3.117 124.317 121.223 -0.040 0.000 2.353 254 L HA -0.091 4.249 4.340 0.000 0.000 0.220 254 L C 1.932 178.783 176.870 -0.032 0.000 1.133 254 L CA 2.185 57.004 54.840 -0.035 0.000 0.798 254 L CB -0.050 41.991 42.059 -0.030 0.000 0.922 254 L HN 0.744 nan 8.230 nan 0.000 0.445 255 S N -0.125 115.555 115.700 -0.032 0.000 2.577 255 S HA 0.422 4.892 4.470 0.000 0.000 0.239 255 S C -0.163 174.420 174.600 -0.029 0.000 1.236 255 S CA -0.373 57.810 58.200 -0.029 0.000 1.233 255 S CB -0.905 62.279 63.200 -0.027 0.000 0.908 255 S HN 0.656 nan 8.310 nan 0.000 0.493 256 N N -1.214 117.469 118.700 -0.028 0.000 3.348 256 N HA 0.353 5.093 4.740 0.000 0.000 0.233 256 N C -1.880 173.621 175.510 -0.015 0.000 1.440 256 N CA -0.578 52.458 53.050 -0.024 0.000 0.887 256 N CB 0.613 39.082 38.487 -0.030 0.000 1.410 256 N HN -0.038 nan 8.380 nan 0.000 0.502 257 T N 0.762 115.314 114.554 -0.002 0.000 3.170 257 T HA 0.493 4.843 4.350 0.000 0.000 0.315 257 T C -1.614 173.109 174.700 0.040 0.000 0.967 257 T CA -0.631 61.483 62.100 0.023 0.000 1.024 257 T CB 0.359 69.240 68.868 0.021 0.000 1.018 257 T HN 0.530 nan 8.240 nan 0.000 0.449 258 N N 2.728 121.472 118.700 0.074 0.000 2.399 258 N HA 0.602 5.342 4.740 0.000 0.000 0.295 258 N C -0.785 174.831 175.510 0.176 0.000 1.048 258 N CA -0.580 52.518 53.050 0.081 0.000 0.886 258 N CB 1.485 40.006 38.487 0.056 0.000 1.185 258 N HN 0.527 nan 8.380 nan 0.000 0.487 259 D N 0.273 120.722 120.400 0.081 0.000 2.585 259 D HA 0.478 5.118 4.640 0.000 0.000 0.254 259 D C -0.136 176.106 176.300 -0.097 0.000 1.067 259 D CA -0.336 53.680 54.000 0.027 0.000 1.090 259 D CB 1.857 42.617 40.800 -0.066 0.000 1.408 259 D HN 0.140 nan 8.370 nan 0.000 0.554 260 I N 1.630 122.039 120.570 -0.268 0.000 2.460 260 I HA 0.424 4.595 4.170 0.000 0.000 0.298 260 I C 0.408 176.352 176.117 -0.288 0.000 0.989 260 I CA -0.783 60.321 61.300 -0.327 0.000 1.173 260 I CB 0.942 38.581 38.000 -0.603 0.000 1.338 260 I HN 0.295 nan 8.210 nan 0.000 0.456 261 I N 1.547 121.982 120.570 -0.224 0.000 2.934 261 I HA 0.845 5.015 4.170 0.000 0.000 0.306 261 I C -0.769 175.260 176.117 -0.146 0.000 1.110 261 I CA -0.499 60.688 61.300 -0.188 0.000 1.019 261 I CB 2.500 40.419 38.000 -0.134 0.000 1.227 261 I HN 0.559 nan 8.210 nan 0.000 0.434 262 T N 1.634 116.099 114.554 -0.149 0.000 2.864 262 T HA 0.689 5.039 4.350 0.000 0.000 0.299 262 T C -0.587 174.067 174.700 -0.076 0.000 1.166 262 T CA -1.037 60.901 62.100 -0.270 0.000 1.007 262 T CB 2.539 71.098 68.868 -0.514 0.000 1.219 262 T HN 0.761 nan 8.240 nan 0.000 0.506 263 R N 0.366 120.807 120.500 -0.098 0.000 2.566 263 R HA 0.655 4.995 4.340 0.000 0.000 0.271 263 R C -1.204 175.170 176.300 0.124 0.000 1.071 263 R CA -0.763 55.336 56.100 -0.002 0.000 0.915 263 R CB 2.424 32.638 30.300 -0.142 0.000 1.228 263 R HN 0.859 nan 8.270 nan 0.000 0.449 264 T N -0.486 114.133 114.554 0.107 0.000 2.912 264 T HA 0.514 4.864 4.350 0.000 0.000 0.288 264 T C -0.460 174.171 174.700 -0.115 0.000 1.030 264 T CA -0.925 61.178 62.100 0.005 0.000 1.020 264 T CB 1.895 70.713 68.868 -0.083 0.000 1.056 264 T HN 0.415 nan 8.240 nan 0.000 0.480 265 S N 0.654 116.093 115.700 -0.435 0.000 2.775 265 S HA 0.293 4.763 4.470 0.000 0.000 0.277 265 S C 0.402 174.718 174.600 -0.473 0.000 1.156 265 S CA -0.946 56.803 58.200 -0.753 0.000 1.081 265 S CB 0.748 62.795 63.200 -1.921 0.000 1.054 265 S HN 0.666 nan 8.310 nan 0.000 0.482 266 R N 2.223 122.540 120.500 -0.304 0.000 2.319 266 R HA 0.098 4.438 4.340 0.000 0.000 0.204 266 R C -0.186 175.991 176.300 -0.204 0.000 0.954 266 R CA 0.705 56.685 56.100 -0.201 0.000 1.066 266 R CB -0.233 29.991 30.300 -0.126 0.000 0.991 266 R HN 0.728 nan 8.270 nan 0.000 0.486 267 D N -1.382 118.855 120.400 -0.273 0.000 2.623 267 D HA 0.142 4.782 4.640 0.000 0.000 0.252 267 D C 0.909 177.073 176.300 -0.226 0.000 1.294 267 D CA -0.040 53.826 54.000 -0.224 0.000 0.824 267 D CB 0.624 41.303 40.800 -0.201 0.000 1.070 267 D HN 0.097 nan 8.370 nan 0.000 0.487 268 G N -0.604 108.049 108.800 -0.245 0.000 2.175 268 G HA2 -0.006 3.954 3.960 0.000 0.000 0.244 268 G HA3 -0.006 3.954 3.960 0.000 0.000 0.244 268 G C 1.062 175.838 174.900 -0.207 0.000 0.982 268 G CA 0.089 45.080 45.100 -0.180 0.000 0.641 268 G HN 1.455 nan 8.290 nan 0.000 0.527 269 G N -0.946 107.608 108.800 -0.411 0.000 2.151 269 G HA2 -0.077 3.883 3.960 0.000 0.000 0.156 269 G HA3 -0.077 3.883 3.960 0.000 0.000 0.156 269 G C 0.886 175.633 174.900 -0.255 0.000 1.017 269 G CA 0.487 45.316 45.100 -0.452 0.000 0.686 269 G HN 0.899 nan 8.290 nan 0.000 0.503 270 I N 0.752 121.114 120.570 -0.347 0.000 2.368 270 I HA 0.120 4.290 4.170 0.000 0.000 0.238 270 I C 1.733 177.739 176.117 -0.186 0.000 1.076 270 I CA 1.926 63.119 61.300 -0.179 0.000 1.397 270 I CB -1.310 36.594 38.000 -0.160 0.000 1.141 270 I HN 0.437 nan 8.210 nan 0.000 0.430 271 T N -1.865 112.491 114.554 -0.330 0.000 2.945 271 T HA 0.495 4.845 4.350 0.000 0.000 0.286 271 T C -1.344 173.102 174.700 -0.423 0.000 1.025 271 T CA -0.462 61.518 62.100 -0.200 0.000 1.039 271 T CB 1.821 70.609 68.868 -0.133 0.000 1.068 271 T HN 0.144 nan 8.240 nan 0.000 0.497 272 W N 0.875 122.100 121.300 -0.125 0.000 2.915 272 W HA 0.450 5.110 4.660 0.000 0.000 0.337 272 W C -0.159 176.288 176.519 -0.119 0.000 1.102 272 W CA -0.860 56.401 57.345 -0.140 0.000 1.224 272 W CB 1.151 30.492 29.460 -0.199 0.000 1.416 272 W HN 1.029 nan 8.180 nan 0.000 0.503 273 D N -0.196 120.264 120.400 0.100 0.000 2.346 273 D HA 0.294 4.934 4.640 0.000 0.000 0.249 273 D C 0.425 176.751 176.300 0.043 0.000 1.308 273 D CA -0.249 53.780 54.000 0.049 0.000 0.987 273 D CB 0.334 41.153 40.800 0.032 0.000 1.114 273 D HN 0.240 nan 8.370 nan 0.000 0.529 274 T N -2.073 112.493 114.554 0.021 0.000 2.926 274 T HA 0.069 4.419 4.350 0.000 0.000 0.307 274 T C 0.388 175.084 174.700 -0.006 0.000 1.059 274 T CA -0.714 61.387 62.100 0.002 0.000 1.122 274 T CB 0.579 69.448 68.868 0.002 0.000 0.972 274 T HN 0.478 nan 8.240 nan 0.000 0.545 275 E N 0.568 120.756 120.200 -0.020 0.000 2.415 275 E HA 0.142 4.492 4.350 0.000 0.000 0.260 275 E C -0.973 175.612 176.600 -0.025 0.000 1.016 275 E CA -0.332 56.063 56.400 -0.007 0.000 0.924 275 E CB 0.290 29.996 29.700 0.010 0.000 0.961 275 E HN 0.453 nan 8.360 nan 0.000 0.459 276 L N 5.918 127.108 121.223 -0.055 0.000 2.305 276 L HA 0.260 4.600 4.340 0.000 0.000 0.284 276 L C -0.569 176.190 176.870 -0.186 0.000 1.013 276 L CA -0.513 54.258 54.840 -0.116 0.000 0.819 276 L CB 1.380 43.355 42.059 -0.139 0.000 1.227 276 L HN 0.356 nan 8.230 nan 0.000 0.417 277 N N 5.237 123.836 118.700 -0.169 0.000 2.448 277 N HA 0.127 4.867 4.740 0.000 0.000 0.250 277 N C 0.817 176.160 175.510 -0.278 0.000 1.136 277 N CA 0.038 52.964 53.050 -0.206 0.000 0.953 277 N CB 0.506 38.906 38.487 -0.146 0.000 1.251 277 N HN 0.776 nan 8.380 nan 0.000 0.502 278 L N 1.671 122.661 121.223 -0.389 0.000 2.275 278 L HA -0.107 4.233 4.340 0.000 0.000 0.215 278 L C 1.531 178.160 176.870 -0.401 0.000 1.119 278 L CA 1.040 55.614 54.840 -0.445 0.000 0.790 278 L CB -0.468 41.248 42.059 -0.573 0.000 0.919 278 L HN 0.480 nan 8.230 nan 0.000 0.443 279 T N -2.637 111.642 114.554 -0.459 0.000 3.031 279 T HA -0.108 4.242 4.350 0.000 0.000 0.254 279 T C 1.644 176.124 174.700 -0.368 0.000 1.060 279 T CA 0.337 62.079 62.100 -0.596 0.000 1.135 279 T CB -0.009 68.300 68.868 -0.932 0.000 0.896 279 T HN 0.308 nan 8.240 nan 0.000 0.472 280 E N 1.514 121.585 120.200 -0.215 0.000 2.219 280 E HA -0.302 4.048 4.350 0.000 0.000 0.198 280 E C 2.211 178.765 176.600 -0.077 0.000 0.998 280 E CA 1.086 57.425 56.400 -0.101 0.000 0.818 280 E CB -0.126 29.525 29.700 -0.082 0.000 0.741 280 E HN 0.607 nan 8.360 nan 0.000 0.477 281 Q N 0.066 119.800 119.800 -0.110 0.000 2.079 281 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 281 Q C 2.295 178.263 176.000 -0.053 0.000 0.974 281 Q CA 1.292 57.053 55.803 -0.070 0.000 0.840 281 Q CB 0.052 28.742 28.738 -0.080 0.000 0.898 281 Q HN 0.427 nan 8.270 nan 0.000 0.430 282 I N 0.686 121.188 120.570 -0.114 0.000 2.439 282 I HA -0.148 4.022 4.170 0.000 0.000 0.251 282 I C 0.931 177.109 176.117 0.100 0.000 1.139 282 I CA 0.631 61.874 61.300 -0.095 0.000 1.438 282 I CB -0.240 37.555 38.000 -0.341 0.000 1.085 282 I HN 0.141 nan 8.210 nan 0.000 0.427 283 N N 1.122 119.909 118.700 0.145 0.000 3.112 283 N HA 0.116 4.857 4.740 0.000 0.000 0.270 283 N C 1.025 176.618 175.510 0.138 0.000 1.385 283 N CA -0.183 53.055 53.050 0.313 0.000 0.986 283 N CB 0.432 39.229 38.487 0.517 0.000 1.261 283 N HN 0.073 nan 8.380 nan 0.000 0.495 284 V N 0.264 120.239 119.914 0.102 0.000 2.250 284 V HA -0.223 3.897 4.120 0.000 0.000 0.250 284 V C 1.368 177.471 176.094 0.015 0.000 1.060 284 V CA 2.405 64.731 62.300 0.044 0.000 1.030 284 V CB -1.075 30.773 31.823 0.040 0.000 0.643 284 V HN 0.553 nan 8.190 nan 0.000 0.445 285 S N -1.346 114.349 115.700 -0.009 0.000 2.540 285 S HA 0.198 4.668 4.470 0.000 0.000 0.218 285 S C 0.321 174.884 174.600 -0.061 0.000 0.977 285 S CA 0.303 58.477 58.200 -0.043 0.000 0.918 285 S CB -0.127 63.032 63.200 -0.068 0.000 0.806 285 S HN 0.671 nan 8.310 nan 0.000 0.496 286 D N 1.495 121.874 120.400 -0.035 0.000 2.835 286 D HA -0.170 4.470 4.640 0.000 0.000 0.230 286 D C 0.413 176.643 176.300 -0.117 0.000 1.130 286 D CA 0.980 54.968 54.000 -0.020 0.000 0.738 286 D CB -1.618 39.175 40.800 -0.012 0.000 1.090 286 D HN 0.709 nan 8.370 nan 0.000 0.433 287 E N -1.174 118.852 120.200 -0.290 0.000 2.435 287 E HA -0.017 4.333 4.350 0.000 0.000 0.195 287 E C 0.309 176.496 176.600 -0.688 0.000 1.029 287 E CA 0.523 56.586 56.400 -0.560 0.000 0.865 287 E CB 0.358 29.541 29.700 -0.861 0.000 0.833 287 E HN 0.226 nan 8.360 nan 0.000 0.510 288 F N -0.089 119.823 119.950 -0.063 0.000 2.631 288 F HA 0.453 4.980 4.527 0.000 0.000 0.350 288 F C -0.077 175.611 175.800 -0.187 0.000 1.080 288 F CA -1.170 56.708 58.000 -0.204 0.000 1.026 288 F CB 1.056 39.773 39.000 -0.472 0.000 1.347 288 F HN -0.305 nan 8.300 nan 0.000 0.501 289 D N -0.041 120.325 120.400 -0.056 0.000 2.780 289 D HA 0.469 5.109 4.640 0.000 0.000 0.242 289 D C -1.335 174.879 176.300 -0.143 0.000 1.135 289 D CA -0.207 53.804 54.000 0.017 0.000 0.859 289 D CB 1.834 42.686 40.800 0.086 0.000 1.530 289 D HN 0.084 nan 8.370 nan 0.000 0.493 290 F N 0.648 120.707 119.950 0.181 0.000 2.507 290 F HA 0.623 5.150 4.527 0.000 0.000 0.327 290 F C 0.903 176.827 175.800 0.206 0.000 1.068 290 F CA -0.568 57.547 58.000 0.192 0.000 0.965 290 F CB 1.891 40.933 39.000 0.070 0.000 1.192 290 F HN 0.194 nan 8.300 nan 0.000 0.476 291 S N -0.937 115.036 115.700 0.454 0.000 2.638 291 S HA 0.527 4.997 4.470 0.000 0.000 0.274 291 S C -1.534 173.241 174.600 0.290 0.000 1.157 291 S CA -1.089 57.308 58.200 0.328 0.000 0.826 291 S CB 1.534 64.959 63.200 0.376 0.000 1.139 291 S HN 0.691 nan 8.310 nan 0.000 0.474 292 D N 0.920 121.429 120.400 0.183 0.000 3.038 292 D HA -0.055 4.585 4.640 0.000 0.000 0.229 292 D C -2.821 173.547 176.300 0.113 0.000 1.182 292 D CA 0.640 54.727 54.000 0.146 0.000 0.852 292 D CB -0.872 40.037 40.800 0.181 0.000 0.932 292 D HN 0.442 nan 8.370 nan 0.000 0.406 293 P HA 0.083 nan 4.420 nan 0.000 0.274 293 P C -0.543 176.685 177.300 -0.120 0.000 1.291 293 P CA -0.030 63.030 63.100 -0.066 0.000 0.815 293 P CB 0.633 32.245 31.700 -0.146 0.000 0.897 294 R N 6.107 126.523 120.500 -0.140 0.000 2.272 294 R HA 0.413 4.753 4.340 0.000 0.000 0.323 294 R C -2.610 173.554 176.300 -0.226 0.000 1.002 294 R CA -2.038 53.961 56.100 -0.167 0.000 0.900 294 R CB 1.090 31.254 30.300 -0.227 0.000 1.151 294 R HN 0.277 nan 8.270 nan 0.000 0.507 295 P HA 0.369 nan 4.420 nan 0.000 0.290 295 P C -0.826 176.526 177.300 0.087 0.000 1.283 295 P CA -0.562 62.480 63.100 -0.097 0.000 0.869 295 P CB 1.982 33.571 31.700 -0.184 0.000 1.100 296 I N 1.360 122.010 120.570 0.134 0.000 2.545 296 I HA 0.300 4.470 4.170 0.000 0.000 0.292 296 I C -0.544 175.704 176.117 0.217 0.000 1.040 296 I CA -1.088 60.339 61.300 0.212 0.000 1.068 296 I CB 2.029 40.160 38.000 0.218 0.000 1.251 296 I HN 0.276 nan 8.210 nan 0.000 0.424 297 Y N 4.721 125.097 120.300 0.126 0.000 2.327 297 Y HA 0.393 4.943 4.550 0.000 0.000 0.336 297 Y C -0.578 175.381 175.900 0.099 0.000 1.035 297 Y CA -0.833 57.321 58.100 0.089 0.000 1.165 297 Y CB 0.970 39.456 38.460 0.045 0.000 1.181 297 Y HN 0.538 nan 8.280 nan 0.000 0.494 298 D N 8.435 128.415 120.400 -0.701 0.000 2.460 298 D HA 0.381 5.021 4.640 0.000 0.000 0.232 298 D C -2.253 173.610 176.300 -0.729 0.000 1.079 298 D CA -2.498 51.174 54.000 -0.547 0.000 0.864 298 D CB 1.792 42.447 40.800 -0.242 0.000 1.048 298 D HN 0.299 nan 8.370 nan 0.000 0.523 299 P HA -0.130 nan 4.420 nan 0.000 0.220 299 P C 0.847 178.052 177.300 -0.159 0.000 1.144 299 P CA 0.905 63.810 63.100 -0.325 0.000 0.800 299 P CB 0.357 31.992 31.700 -0.107 0.000 0.772 300 S N -1.116 114.492 115.700 -0.153 0.000 2.377 300 S HA -0.060 4.410 4.470 0.000 0.000 0.223 300 S C 1.836 176.383 174.600 -0.089 0.000 1.030 300 S CA 1.500 59.643 58.200 -0.094 0.000 0.970 300 S CB -0.522 62.627 63.200 -0.084 0.000 0.830 300 S HN 0.295 nan 8.310 nan 0.000 0.473 301 S N 0.915 116.546 115.700 -0.115 0.000 2.511 301 S HA 0.201 4.671 4.470 0.000 0.000 0.214 301 S C 0.498 175.041 174.600 -0.094 0.000 0.997 301 S CA 0.101 58.246 58.200 -0.092 0.000 0.908 301 S CB -0.352 62.796 63.200 -0.087 0.000 0.803 301 S HN 0.386 nan 8.310 nan 0.000 0.504 302 N N 1.370 119.989 118.700 -0.134 0.000 2.699 302 N HA -0.143 4.598 4.740 0.000 0.000 0.257 302 N C -1.139 174.357 175.510 -0.024 0.000 1.077 302 N CA 1.059 54.074 53.050 -0.058 0.000 0.702 302 N CB -1.692 36.816 38.487 0.034 0.000 0.886 302 N HN 0.528 nan 8.380 nan 0.000 0.549 303 T N -0.512 113.981 114.554 -0.102 0.000 2.906 303 T HA 0.659 5.009 4.350 0.000 0.000 0.295 303 T C -0.214 174.538 174.700 0.087 0.000 1.075 303 T CA -0.211 61.873 62.100 -0.027 0.000 1.005 303 T CB 1.994 70.825 68.868 -0.063 0.000 1.136 303 T HN 0.546 nan 8.240 nan 0.000 0.498 304 V N 1.358 121.383 119.914 0.185 0.000 2.394 304 V HA 0.732 4.852 4.120 0.000 0.000 0.282 304 V C -0.673 175.565 176.094 0.241 0.000 1.031 304 V CA -0.814 61.652 62.300 0.277 0.000 0.881 304 V CB 1.229 33.291 31.823 0.399 0.000 0.982 304 V HN 0.692 nan 8.190 nan 0.000 0.451 305 L N 7.706 129.050 121.223 0.203 0.000 2.295 305 L HA 0.608 4.948 4.340 0.000 0.000 0.281 305 L C -0.393 176.582 176.870 0.175 0.000 1.018 305 L CA -0.139 54.817 54.840 0.194 0.000 0.841 305 L CB 1.239 43.352 42.059 0.090 0.000 1.218 305 L HN 0.740 nan 8.230 nan 0.000 0.424 306 V N 2.962 123.033 119.914 0.262 0.000 2.539 306 V HA 0.601 4.721 4.120 0.000 0.000 0.292 306 V C 0.533 176.711 176.094 0.139 0.000 1.045 306 V CA -0.558 61.780 62.300 0.063 0.000 0.945 306 V CB 1.405 33.173 31.823 -0.092 0.000 0.993 306 V HN 0.845 nan 8.190 nan 0.000 0.464 307 S N 3.052 118.719 115.700 -0.055 0.000 2.500 307 S HA 0.873 5.344 4.470 0.000 0.000 0.301 307 S C -1.169 173.389 174.600 -0.069 0.000 1.092 307 S CA -0.546 57.535 58.200 -0.199 0.000 1.030 307 S CB 1.275 64.170 63.200 -0.509 0.000 1.031 307 S HN 0.808 nan 8.310 nan 0.000 0.483 308 Y N -0.501 119.769 120.300 -0.050 0.000 2.609 308 Y HA 0.854 5.404 4.550 0.000 0.000 0.336 308 Y C -0.561 175.390 175.900 0.085 0.000 1.129 308 Y CA -1.661 56.447 58.100 0.013 0.000 1.040 308 Y CB 0.463 38.942 38.460 0.031 0.000 1.310 308 Y HN 0.623 nan 8.280 nan 0.000 0.460 309 A N 2.340 125.287 122.820 0.210 0.000 2.295 309 A HA 0.811 5.131 4.320 0.000 0.000 0.318 309 A C -0.498 177.051 177.584 -0.059 0.000 1.134 309 A CA -0.911 51.105 52.037 -0.036 0.000 0.827 309 A CB 1.101 20.009 19.000 -0.154 0.000 1.136 309 A HN 0.886 nan 8.150 nan 0.000 0.493 310 R N 0.593 120.839 120.500 -0.423 0.000 2.778 310 R HA 0.670 5.010 4.340 0.000 0.000 0.277 310 R C -1.848 173.909 176.300 -0.904 0.000 0.977 310 R CA -0.479 55.242 56.100 -0.632 0.000 0.950 310 R CB 1.153 31.089 30.300 -0.607 0.000 1.165 310 R HN 0.763 nan 8.270 nan 0.000 0.474 311 W N 1.837 122.994 121.300 -0.238 0.000 3.075 311 W HA 0.428 5.088 4.660 0.000 0.000 0.334 311 W C -2.380 174.144 176.519 0.009 0.000 1.243 311 W CA -1.843 55.442 57.345 -0.099 0.000 1.170 311 W CB 0.868 30.275 29.460 -0.088 0.000 1.452 311 W HN 0.424 nan 8.180 nan 0.000 0.572 312 P HA 0.035 nan 4.420 nan 0.000 0.276 312 P C 0.626 177.986 177.300 0.101 0.000 1.244 312 P CA 0.174 63.390 63.100 0.193 0.000 0.801 312 P CB 1.375 33.132 31.700 0.095 0.000 1.006 313 T N -0.000 114.555 114.554 0.002 0.000 2.977 313 T HA -0.133 4.217 4.350 0.000 0.000 0.271 313 T C 0.911 175.599 174.700 -0.021 0.000 1.105 313 T CA 1.916 64.007 62.100 -0.014 0.000 1.116 313 T CB -0.764 68.071 68.868 -0.055 0.000 0.878 313 T HN 0.544 nan 8.240 nan 0.000 0.509 314 D N -0.294 120.094 120.400 -0.020 0.000 2.398 314 D HA 0.396 5.037 4.640 0.000 0.000 0.210 314 D C 0.250 176.529 176.300 -0.034 0.000 1.094 314 D CA -0.044 53.938 54.000 -0.030 0.000 0.839 314 D CB 0.093 40.875 40.800 -0.030 0.000 0.963 314 D HN 0.406 nan 8.370 nan 0.000 0.506 315 A N -0.612 122.197 122.820 -0.019 0.000 2.547 315 A HA 0.800 5.120 4.320 0.000 0.000 0.297 315 A C -1.013 176.562 177.584 -0.016 0.000 1.056 315 A CA -0.174 51.839 52.037 -0.039 0.000 0.688 315 A CB 1.644 20.617 19.000 -0.045 0.000 1.282 315 A HN 0.448 nan 8.150 nan 0.000 0.400 316 A N 0.500 123.243 122.820 -0.128 0.000 3.865 316 A HA 0.653 4.973 4.320 0.000 0.000 0.284 316 A C 0.782 178.168 177.584 -0.331 0.000 1.105 316 A CA 0.510 52.359 52.037 -0.312 0.000 0.605 316 A CB -0.452 17.969 19.000 -0.964 0.000 1.594 316 A HN 0.873 nan 8.150 nan 0.000 0.741 317 Q N 0.422 119.842 119.800 -0.633 0.000 2.030 317 Q HA -0.128 4.212 4.340 0.000 0.000 0.204 317 Q C 0.014 175.912 176.000 -0.171 0.000 0.986 317 Q CA 1.558 57.170 55.803 -0.318 0.000 0.843 317 Q CB -0.306 28.206 28.738 -0.377 0.000 0.904 317 Q HN 0.710 nan 8.270 nan 0.000 0.420 318 N N 0.106 118.692 118.700 -0.189 0.000 2.293 318 N HA -0.075 4.665 4.740 0.000 0.000 0.253 318 N C 0.682 176.147 175.510 -0.076 0.000 1.248 318 N CA 1.251 54.252 53.050 -0.081 0.000 0.845 318 N CB 0.229 38.660 38.487 -0.092 0.000 1.073 318 N HN 0.589 nan 8.380 nan 0.000 0.464 319 G N 1.864 110.631 108.800 -0.054 0.000 2.180 319 G HA2 -0.341 3.619 3.960 0.000 0.000 0.263 319 G HA3 -0.341 3.619 3.960 0.000 0.000 0.263 319 G C -0.040 174.809 174.900 -0.086 0.000 0.989 319 G CA 0.507 45.559 45.100 -0.080 0.000 0.692 319 G HN 0.802 nan 8.290 nan 0.000 0.526 320 D N -1.582 118.762 120.400 -0.094 0.000 2.701 320 D HA -0.198 4.442 4.640 0.000 0.000 0.235 320 D C 1.450 177.689 176.300 -0.101 0.000 1.155 320 D CA 1.348 55.291 54.000 -0.095 0.000 0.649 320 D CB -0.904 39.849 40.800 -0.079 0.000 1.050 320 D HN 0.765 nan 8.370 nan 0.000 0.425 321 R N -0.463 119.978 120.500 -0.098 0.000 2.310 321 R HA 0.097 4.437 4.340 0.000 0.000 0.202 321 R C 1.030 177.246 176.300 -0.141 0.000 0.933 321 R CA -0.393 55.646 56.100 -0.102 0.000 1.054 321 R CB 0.397 30.649 30.300 -0.080 0.000 0.985 321 R HN 0.148 nan 8.270 nan 0.000 0.489 322 I N 2.049 122.544 120.570 -0.125 0.000 2.529 322 I HA 0.052 4.222 4.170 0.000 0.000 0.284 322 I C -0.323 175.635 176.117 -0.265 0.000 1.082 322 I CA -0.589 60.639 61.300 -0.120 0.000 1.406 322 I CB 0.595 38.646 38.000 0.085 0.000 1.405 322 I HN -0.161 nan 8.210 nan 0.000 0.548 323 K N 8.492 128.616 120.400 -0.460 0.000 2.259 323 K HA 0.447 4.767 4.320 0.000 0.000 0.252 323 K C -2.104 174.131 176.600 -0.607 0.000 0.936 323 K CA -1.982 53.848 56.287 -0.762 0.000 0.810 323 K CB 1.000 32.492 32.500 -1.680 0.000 1.143 323 K HN 0.195 nan 8.250 nan 0.000 0.427 324 P HA -0.137 nan 4.420 nan 0.000 0.223 324 P C 0.284 177.547 177.300 -0.063 0.000 1.140 324 P CA 1.104 64.120 63.100 -0.141 0.000 0.783 324 P CB -0.080 31.617 31.700 -0.004 0.000 0.759 325 W N -2.744 118.499 121.300 -0.094 0.000 3.102 325 W HA 0.484 5.144 4.660 0.000 0.000 0.401 325 W C 0.103 176.582 176.519 -0.067 0.000 1.070 325 W CA -0.596 56.685 57.345 -0.107 0.000 1.921 325 W CB -0.999 28.386 29.460 -0.125 0.000 1.118 325 W HN -0.255 nan 8.180 nan 0.000 0.647 326 M N 1.617 121.095 119.600 -0.203 0.000 2.649 326 M HA 0.354 4.834 4.480 0.000 0.000 0.294 326 M C -1.549 174.724 176.300 -0.045 0.000 1.206 326 M CA -1.988 53.248 55.300 -0.107 0.000 0.928 326 M CB 1.009 33.496 32.600 -0.188 0.000 1.571 326 M HN -0.403 nan 8.290 nan 0.000 0.501 327 P HA 0.079 nan 4.420 nan 0.000 0.258 327 P C -0.892 176.329 177.300 -0.132 0.000 1.559 327 P CA 0.029 63.131 63.100 0.004 0.000 0.855 327 P CB -0.793 31.035 31.700 0.212 0.000 1.594 328 N N 0.879 119.470 118.700 -0.182 0.000 2.454 328 N HA 0.338 5.078 4.740 0.000 0.000 0.254 328 N C 0.391 175.677 175.510 -0.373 0.000 1.228 328 N CA 0.655 53.469 53.050 -0.393 0.000 0.900 328 N CB 0.286 38.517 38.487 -0.425 0.000 1.089 328 N HN 0.144 nan 8.380 nan 0.000 0.449 329 G N 1.333 109.861 108.800 -0.454 0.000 2.488 329 G HA2 0.476 4.436 3.960 0.000 0.000 0.301 329 G HA3 0.476 4.436 3.960 0.000 0.000 0.301 329 G C -1.604 173.106 174.900 -0.318 0.000 1.339 329 G CA -0.700 44.190 45.100 -0.349 0.000 0.803 329 G HN 0.532 nan 8.290 nan 0.000 0.482 330 I N -0.034 120.295 120.570 -0.403 0.000 2.545 330 I HA 0.616 4.786 4.170 0.000 0.000 0.292 330 I C -1.277 174.494 176.117 -0.576 0.000 1.040 330 I CA -0.550 60.542 61.300 -0.348 0.000 1.068 330 I CB 2.162 39.972 38.000 -0.316 0.000 1.251 330 I HN 0.323 nan 8.210 nan 0.000 0.424 331 F N 4.955 124.584 119.950 -0.536 0.000 2.613 331 F HA 0.544 5.071 4.527 0.000 0.000 0.314 331 F C -0.540 174.835 175.800 -0.708 0.000 1.075 331 F CA -0.699 56.952 58.000 -0.582 0.000 0.945 331 F CB 1.963 40.632 39.000 -0.551 0.000 1.310 331 F HN 0.328 nan 8.300 nan 0.000 0.467 332 Y N -1.213 118.966 120.300 -0.203 0.000 2.581 332 Y HA 0.863 5.413 4.550 0.000 0.000 0.345 332 Y C -1.195 174.811 175.900 0.177 0.000 1.036 332 Y CA -1.561 56.499 58.100 -0.066 0.000 1.042 332 Y CB 1.803 40.259 38.460 -0.007 0.000 1.289 332 Y HN 0.403 nan 8.280 nan 0.000 0.471 333 S N 1.381 117.442 115.700 0.603 0.000 2.547 333 S HA 0.689 5.159 4.470 0.000 0.000 0.281 333 S C -1.573 173.490 174.600 0.772 0.000 1.118 333 S CA -0.734 57.833 58.200 0.612 0.000 0.947 333 S CB 1.833 65.341 63.200 0.514 0.000 1.053 333 S HN 0.611 nan 8.310 nan 0.000 0.482 334 V N 3.992 124.305 119.914 0.666 0.000 2.435 334 V HA 0.432 4.552 4.120 0.000 0.000 0.290 334 V C -1.111 175.124 176.094 0.235 0.000 1.030 334 V CA -0.620 61.941 62.300 0.435 0.000 0.881 334 V CB 1.267 33.278 31.823 0.313 0.000 0.983 334 V HN 0.844 nan 8.190 nan 0.000 0.445 335 Y N 3.680 123.776 120.300 -0.341 0.000 2.328 335 Y HA 0.513 5.063 4.550 0.000 0.000 0.337 335 Y C -0.120 175.509 175.900 -0.452 0.000 0.966 335 Y CA -1.418 56.094 58.100 -0.980 0.000 1.136 335 Y CB 1.428 38.719 38.460 -1.948 0.000 1.170 335 Y HN 0.781 nan 8.280 nan 0.000 0.470 336 D N 5.136 125.008 120.400 -0.881 0.000 2.393 336 D HA 0.160 4.800 4.640 0.000 0.000 0.232 336 D C 0.574 176.293 176.300 -0.969 0.000 1.192 336 D CA 0.009 53.620 54.000 -0.648 0.000 0.882 336 D CB 0.928 41.515 40.800 -0.354 0.000 1.038 336 D HN 0.487 nan 8.370 nan 0.000 0.499 337 V N 4.217 123.686 119.914 -0.742 0.000 2.392 337 V HA -0.266 3.854 4.120 0.000 0.000 0.249 337 V C 2.396 178.319 176.094 -0.284 0.000 1.059 337 V CA 2.063 64.073 62.300 -0.484 0.000 1.051 337 V CB -0.850 30.914 31.823 -0.099 0.000 0.658 337 V HN 0.740 nan 8.190 nan 0.000 0.455 338 A N 0.527 123.214 122.820 -0.221 0.000 1.902 338 A HA -0.179 4.141 4.320 0.000 0.000 0.217 338 A C 2.289 179.794 177.584 -0.132 0.000 1.181 338 A CA 2.346 54.300 52.037 -0.137 0.000 0.623 338 A CB -0.445 18.493 19.000 -0.103 0.000 0.818 338 A HN 0.731 nan 8.150 nan 0.000 0.443 339 S N -2.749 112.847 115.700 -0.173 0.000 2.629 339 S HA 0.429 4.899 4.470 0.000 0.000 0.236 339 S C 1.183 175.709 174.600 -0.123 0.000 1.010 339 S CA 0.994 59.123 58.200 -0.119 0.000 0.981 339 S CB -0.109 63.033 63.200 -0.096 0.000 0.919 339 S HN 1.915 nan 8.310 nan 0.000 0.514 340 G N 2.106 110.773 108.800 -0.223 0.000 2.233 340 G HA2 -0.268 3.692 3.960 0.000 0.000 0.270 340 G HA3 -0.268 3.692 3.960 0.000 0.000 0.270 340 G C -0.128 174.752 174.900 -0.033 0.000 1.011 340 G CA 0.289 45.312 45.100 -0.129 0.000 0.762 340 G HN 0.591 nan 8.290 nan 0.000 0.511 341 N N -1.064 117.529 118.700 -0.178 0.000 2.489 341 N HA 0.609 5.349 4.740 0.000 0.000 0.284 341 N C -0.518 174.968 175.510 -0.041 0.000 1.158 341 N CA -0.115 52.934 53.050 -0.002 0.000 0.965 341 N CB 0.969 39.462 38.487 0.009 0.000 1.195 341 N HN 0.264 nan 8.380 nan 0.000 0.506 342 W N 0.380 121.779 121.300 0.165 0.000 2.689 342 W HA 0.373 5.033 4.660 0.000 0.000 0.340 342 W C 0.172 176.766 176.519 0.125 0.000 1.060 342 W CA -0.533 56.932 57.345 0.200 0.000 1.218 342 W CB 1.203 30.790 29.460 0.212 0.000 1.410 342 W HN 0.183 nan 8.180 nan 0.000 0.528 343 Q N 1.585 121.627 119.800 0.404 0.000 2.282 343 Q HA 0.618 4.958 4.340 0.000 0.000 0.260 343 Q C 0.064 176.213 176.000 0.249 0.000 0.964 343 Q CA -0.737 55.219 55.803 0.254 0.000 0.880 343 Q CB 1.800 30.668 28.738 0.216 0.000 1.286 343 Q HN 0.583 nan 8.270 nan 0.000 0.445 344 A N 4.123 127.036 122.820 0.155 0.000 2.586 344 A HA 0.169 4.489 4.320 0.000 0.000 0.231 344 A C -2.181 175.457 177.584 0.090 0.000 1.055 344 A CA -0.716 51.383 52.037 0.102 0.000 0.756 344 A CB -0.533 18.504 19.000 0.062 0.000 0.988 344 A HN 0.438 nan 8.150 nan 0.000 0.509 345 P HA 0.319 nan 4.420 nan 0.000 0.269 345 P C -0.751 176.544 177.300 -0.007 0.000 1.209 345 P CA 0.279 63.414 63.100 0.058 0.000 0.776 345 P CB 0.385 32.125 31.700 0.068 0.000 0.876 346 I N 1.675 122.125 120.570 -0.201 0.000 2.474 346 I HA 0.291 4.462 4.170 0.000 0.000 0.294 346 I C 0.088 176.015 176.117 -0.317 0.000 1.005 346 I CA -0.645 60.466 61.300 -0.316 0.000 1.113 346 I CB 1.739 39.326 38.000 -0.689 0.000 1.289 346 I HN 0.227 nan 8.210 nan 0.000 0.436 347 D N 4.891 125.110 120.400 -0.302 0.000 2.225 347 D HA 0.344 4.985 4.640 0.000 0.000 0.248 347 D C 0.098 176.093 176.300 -0.508 0.000 1.096 347 D CA -0.198 53.331 54.000 -0.785 0.000 0.863 347 D CB 1.860 42.184 40.800 -0.794 0.000 1.156 347 D HN 0.295 nan 8.370 nan 0.000 0.450 348 V N 1.566 121.145 119.914 -0.558 0.000 3.111 348 V HA 0.162 4.282 4.120 0.000 0.000 0.343 348 V C 1.458 177.374 176.094 -0.297 0.000 1.417 348 V CA 0.498 62.624 62.300 -0.290 0.000 1.142 348 V CB -0.393 31.350 31.823 -0.133 0.000 1.114 348 V HN 0.639 nan 8.190 nan 0.000 0.520 349 T N -2.195 112.117 114.554 -0.404 0.000 2.699 349 T HA -0.264 4.087 4.350 0.000 0.000 0.268 349 T C 1.395 175.993 174.700 -0.170 0.000 1.036 349 T CA 2.132 64.049 62.100 -0.305 0.000 1.147 349 T CB -0.601 68.068 68.868 -0.332 0.000 0.862 349 T HN 0.464 nan 8.240 nan 0.000 0.446 350 D N 1.751 122.072 120.400 -0.132 0.000 2.116 350 D HA -0.119 4.521 4.640 0.000 0.000 0.193 350 D C 2.421 178.718 176.300 -0.006 0.000 0.998 350 D CA 1.441 55.415 54.000 -0.043 0.000 0.836 350 D CB -0.440 40.350 40.800 -0.017 0.000 0.951 350 D HN 0.637 nan 8.370 nan 0.000 0.449 351 Q N -0.253 119.539 119.800 -0.013 0.000 2.364 351 Q HA -0.044 4.296 4.340 0.000 0.000 0.207 351 Q C 1.910 177.921 176.000 0.018 0.000 0.970 351 Q CA 0.846 56.665 55.803 0.027 0.000 0.888 351 Q CB 0.439 29.228 28.738 0.086 0.000 0.951 351 Q HN 0.364 nan 8.270 nan 0.000 0.469 352 V N -4.009 115.887 119.914 -0.029 0.000 3.485 352 V HA 0.261 4.381 4.120 0.000 0.000 0.280 352 V C 0.246 176.320 176.094 -0.033 0.000 1.495 352 V CA -0.355 61.922 62.300 -0.037 0.000 1.018 352 V CB 0.383 32.145 31.823 -0.101 0.000 0.818 352 V HN -0.045 nan 8.190 nan 0.000 0.436 353 K N 2.383 122.756 120.400 -0.045 0.000 2.299 353 K HA 0.332 4.652 4.320 0.000 0.000 0.268 353 K C -0.011 176.599 176.600 0.017 0.000 1.075 353 K CA -0.302 55.961 56.287 -0.041 0.000 0.936 353 K CB 0.842 33.281 32.500 -0.100 0.000 1.228 353 K HN 0.553 nan 8.250 nan 0.000 0.454 354 E N 3.193 123.437 120.200 0.073 0.000 2.415 354 E HA 0.009 4.359 4.350 0.000 0.000 0.262 354 E C -0.776 175.880 176.600 0.093 0.000 1.038 354 E CA 0.220 56.709 56.400 0.147 0.000 0.921 354 E CB 0.648 30.489 29.700 0.235 0.000 0.950 354 E HN 0.434 nan 8.360 nan 0.000 0.438 355 R N 1.897 122.467 120.500 0.115 0.000 2.407 355 R HA 0.258 4.598 4.340 0.000 0.000 0.298 355 R C -1.175 175.201 176.300 0.126 0.000 1.166 355 R CA -0.355 55.756 56.100 0.019 0.000 1.006 355 R CB 1.437 31.572 30.300 -0.275 0.000 1.145 355 R HN 0.479 nan 8.270 nan 0.000 0.538 356 S N 1.325 117.113 115.700 0.146 0.000 2.570 356 S HA 0.477 4.948 4.470 0.000 0.000 0.270 356 S C -1.142 173.545 174.600 0.145 0.000 1.149 356 S CA -0.946 57.367 58.200 0.188 0.000 0.837 356 S CB 1.255 64.633 63.200 0.297 0.000 1.124 356 S HN 0.337 nan 8.310 nan 0.000 0.465 357 F N 2.454 122.394 119.950 -0.016 0.000 2.438 357 F HA 0.482 5.009 4.527 0.000 0.000 0.356 357 F C 0.070 175.754 175.800 -0.194 0.000 1.099 357 F CA -0.296 57.581 58.000 -0.205 0.000 1.185 357 F CB 0.795 39.688 39.000 -0.179 0.000 1.115 357 F HN 0.666 nan 8.300 nan 0.000 0.526 358 Q N 7.124 126.303 119.800 -1.036 0.000 2.337 358 Q HA 0.596 4.936 4.340 0.000 0.000 0.266 358 Q C -1.262 174.240 176.000 -0.831 0.000 1.023 358 Q CA -0.842 54.426 55.803 -0.891 0.000 0.829 358 Q CB 2.917 31.051 28.738 -1.006 0.000 1.306 358 Q HN 0.645 nan 8.270 nan 0.000 0.449 359 I N 1.536 121.852 120.570 -0.424 0.000 2.439 359 I HA 0.422 4.592 4.170 0.000 0.000 0.285 359 I C -0.726 175.234 176.117 -0.263 0.000 1.021 359 I CA -0.662 60.469 61.300 -0.282 0.000 1.091 359 I CB 1.846 39.816 38.000 -0.050 0.000 1.242 359 I HN 0.681 nan 8.210 nan 0.000 0.439 360 A N 4.626 127.215 122.820 -0.385 0.000 2.540 360 A HA 0.572 4.892 4.320 0.000 0.000 0.340 360 A C 0.880 178.177 177.584 -0.478 0.000 1.424 360 A CA -0.424 51.167 52.037 -0.743 0.000 0.940 360 A CB 0.016 18.400 19.000 -1.028 0.000 1.149 360 A HN 0.898 nan 8.150 nan 0.000 0.505 361 G N 1.824 110.454 108.800 -0.282 0.000 3.414 361 G HA2 0.246 4.206 3.960 0.000 0.000 0.258 361 G HA3 0.246 4.206 3.960 0.000 0.000 0.258 361 G C -0.250 174.768 174.900 0.197 0.000 1.348 361 G CA -0.344 44.749 45.100 -0.012 0.000 1.319 361 G HN 0.656 nan 8.290 nan 0.000 0.555 362 W N 0.315 121.636 121.300 0.034 0.000 2.481 362 W HA 0.478 5.138 4.660 0.000 0.000 0.320 362 W C 1.094 177.834 176.519 0.368 0.000 1.209 362 W CA -0.633 56.729 57.345 0.029 0.000 1.400 362 W CB 0.190 29.284 29.460 -0.610 0.000 1.361 362 W HN 0.396 nan 8.180 nan 0.000 0.456 363 G N 1.828 110.991 108.800 0.606 0.000 2.160 363 G HA2 -0.015 3.945 3.960 0.000 0.000 0.251 363 G HA3 -0.015 3.945 3.960 0.000 0.000 0.251 363 G C 0.297 175.281 174.900 0.140 0.000 1.008 363 G CA 0.127 45.486 45.100 0.432 0.000 0.724 363 G HN 0.996 nan 8.290 nan 0.000 0.514 364 G N -1.697 107.177 108.800 0.123 0.000 2.663 364 G HA2 0.902 4.862 3.960 0.000 0.000 0.299 364 G HA3 0.902 4.862 3.960 0.000 0.000 0.299 364 G C -0.609 174.310 174.900 0.032 0.000 1.372 364 G CA 0.449 45.553 45.100 0.007 0.000 0.781 364 G HN 1.815 nan 8.290 nan 0.000 0.491 365 S N -0.850 114.842 115.700 -0.013 0.000 2.575 365 S HA 0.729 5.199 4.470 0.000 0.000 0.278 365 S C -1.329 173.238 174.600 -0.055 0.000 1.139 365 S CA -0.568 57.625 58.200 -0.011 0.000 0.954 365 S CB 2.377 65.570 63.200 -0.011 0.000 1.054 365 S HN 0.613 nan 8.310 nan 0.000 0.483 366 E N 2.660 122.825 120.200 -0.058 0.000 2.263 366 E HA 0.602 4.952 4.350 0.000 0.000 0.268 366 E C -1.680 174.826 176.600 -0.157 0.000 0.884 366 E CA -0.601 55.724 56.400 -0.126 0.000 0.766 366 E CB 1.732 31.375 29.700 -0.096 0.000 1.196 366 E HN 0.727 nan 8.360 nan 0.000 0.416 367 L N 3.139 124.173 121.223 -0.315 0.000 2.409 367 L HA 0.507 4.847 4.340 0.000 0.000 0.262 367 L C -1.555 174.950 176.870 -0.608 0.000 0.992 367 L CA -0.882 53.763 54.840 -0.325 0.000 0.817 367 L CB 1.786 43.742 42.059 -0.171 0.000 1.350 367 L HN 0.534 nan 8.230 nan 0.000 0.411 368 Y N 1.761 121.827 120.300 -0.390 0.000 2.331 368 Y HA 0.593 5.143 4.550 0.000 0.000 0.334 368 Y C -0.235 175.613 175.900 -0.087 0.000 0.960 368 Y CA -0.554 57.312 58.100 -0.389 0.000 1.130 368 Y CB 1.983 39.875 38.460 -0.946 0.000 1.164 368 Y HN 0.392 nan 8.280 nan 0.000 0.458 369 R N 2.369 123.015 120.500 0.242 0.000 2.670 369 R HA 0.729 5.069 4.340 0.000 0.000 0.289 369 R C -1.328 174.968 176.300 -0.007 0.000 0.965 369 R CA -1.118 55.071 56.100 0.149 0.000 0.899 369 R CB 1.447 31.750 30.300 0.005 0.000 1.173 369 R HN 0.730 nan 8.270 nan 0.000 0.456 370 R N 2.573 122.856 120.500 -0.361 0.000 2.439 370 R HA 0.336 4.676 4.340 0.000 0.000 0.310 370 R C -1.225 174.850 176.300 -0.375 0.000 0.955 370 R CA -0.578 55.119 56.100 -0.671 0.000 0.853 370 R CB 0.968 30.395 30.300 -1.455 0.000 1.171 370 R HN 0.530 nan 8.270 nan 0.000 0.449 371 N N 2.391 120.930 118.700 -0.268 0.000 2.470 371 N HA 0.150 4.890 4.740 0.000 0.000 0.268 371 N C -0.796 174.600 175.510 -0.190 0.000 1.136 371 N CA 0.281 53.220 53.050 -0.185 0.000 0.961 371 N CB 1.499 39.907 38.487 -0.132 0.000 1.067 371 N HN 0.756 nan 8.380 nan 0.000 0.468 372 T N -1.657 112.796 114.554 -0.168 0.000 2.940 372 T HA 0.570 4.920 4.350 0.000 0.000 0.288 372 T C -0.081 174.553 174.700 -0.110 0.000 1.045 372 T CA -0.850 61.159 62.100 -0.151 0.000 1.018 372 T CB 1.106 69.870 68.868 -0.174 0.000 1.151 372 T HN 0.163 nan 8.240 nan 0.000 0.529 373 S N 1.133 116.783 115.700 -0.084 0.000 2.060 373 S HA 0.367 4.837 4.470 0.000 0.000 0.156 373 S C -0.321 174.261 174.600 -0.029 0.000 1.690 373 S CA -0.699 57.469 58.200 -0.053 0.000 1.238 373 S CB -0.476 62.699 63.200 -0.042 0.000 1.150 373 S HN 0.562 nan 8.310 nan 0.000 0.437 374 L N 2.918 124.111 121.223 -0.050 0.000 2.290 374 L HA 0.361 4.702 4.340 0.000 0.000 0.284 374 L C 0.467 177.363 176.870 0.044 0.000 1.078 374 L CA -0.637 54.193 54.840 -0.017 0.000 0.815 374 L CB 0.685 42.662 42.059 -0.136 0.000 1.162 374 L HN 0.390 nan 8.230 nan 0.000 0.435 375 N N 1.485 120.246 118.700 0.102 0.000 2.466 375 N HA -0.053 4.687 4.740 0.000 0.000 0.263 375 N C 1.152 176.770 175.510 0.179 0.000 1.178 375 N CA 0.005 53.126 53.050 0.118 0.000 0.983 375 N CB 0.760 39.315 38.487 0.113 0.000 1.331 375 N HN 0.560 nan 8.380 nan 0.000 0.500 376 S N 2.330 118.125 115.700 0.158 0.000 2.559 376 S HA -0.201 4.269 4.470 0.000 0.000 0.250 376 S C 0.986 175.798 174.600 0.354 0.000 0.977 376 S CA 0.934 59.254 58.200 0.200 0.000 0.958 376 S CB -0.269 63.010 63.200 0.132 0.000 0.751 376 S HN 0.741 nan 8.310 nan 0.000 0.534 377 Q N 0.264 120.242 119.800 0.297 0.000 2.247 377 Q HA 0.234 4.574 4.340 0.000 0.000 0.211 377 Q C 0.441 176.553 176.000 0.188 0.000 0.861 377 Q CA -0.087 55.905 55.803 0.315 0.000 0.949 377 Q CB 0.489 29.366 28.738 0.231 0.000 1.115 377 Q HN 0.881 nan 8.270 nan 0.000 0.507 378 Q N 0.501 120.434 119.800 0.221 0.000 2.413 378 Q HA 0.237 4.577 4.340 0.000 0.000 0.276 378 Q C -1.157 174.981 176.000 0.229 0.000 1.099 378 Q CA -0.758 55.136 55.803 0.151 0.000 0.814 378 Q CB 1.678 30.492 28.738 0.126 0.000 1.379 378 Q HN -0.131 nan 8.270 nan 0.000 0.436 379 D N 2.276 122.729 120.400 0.087 0.000 2.390 379 D HA 0.173 4.813 4.640 0.000 0.000 0.236 379 D C -0.616 175.820 176.300 0.227 0.000 1.189 379 D CA 0.642 54.668 54.000 0.045 0.000 0.887 379 D CB 0.377 41.119 40.800 -0.096 0.000 1.198 379 D HN 0.532 nan 8.370 nan 0.000 0.444 380 W N -0.908 120.516 121.300 0.206 0.000 3.137 380 W HA 0.465 5.125 4.660 0.000 0.000 0.324 380 W C -1.602 174.975 176.519 0.097 0.000 1.253 380 W CA -0.904 56.510 57.345 0.114 0.000 1.183 380 W CB 0.662 30.172 29.460 0.084 0.000 1.424 380 W HN 0.115 nan 8.180 nan 0.000 0.566 381 Q N 1.656 121.777 119.800 0.535 0.000 2.310 381 Q HA 0.485 4.825 4.340 0.000 0.000 0.270 381 Q C -0.842 175.384 176.000 0.377 0.000 1.025 381 Q CA -0.619 55.416 55.803 0.385 0.000 0.772 381 Q CB 2.635 31.478 28.738 0.176 0.000 1.253 381 Q HN 0.328 nan 8.270 nan 0.000 0.450 382 S N 2.074 118.022 115.700 0.414 0.000 2.449 382 S HA 0.609 5.079 4.470 0.000 0.000 0.310 382 S C -1.155 173.604 174.600 0.266 0.000 1.096 382 S CA -0.620 57.767 58.200 0.311 0.000 1.095 382 S CB 0.454 63.876 63.200 0.370 0.000 1.007 382 S HN 0.636 nan 8.310 nan 0.000 0.474 383 N N 1.918 120.751 118.700 0.222 0.000 2.397 383 N HA 0.664 5.404 4.740 0.000 0.000 0.291 383 N C -1.423 174.211 175.510 0.207 0.000 1.065 383 N CA -0.423 52.752 53.050 0.209 0.000 0.884 383 N CB 1.558 40.138 38.487 0.155 0.000 1.551 383 N HN 0.611 nan 8.380 nan 0.000 0.487 384 A N 2.800 125.761 122.820 0.236 0.000 2.408 384 A HA 0.525 4.845 4.320 0.000 0.000 0.295 384 A C -1.083 176.654 177.584 0.255 0.000 1.040 384 A CA -0.719 51.448 52.037 0.216 0.000 0.707 384 A CB 1.053 20.178 19.000 0.208 0.000 1.235 384 A HN 0.629 nan 8.150 nan 0.000 0.418 385 K N 2.918 123.434 120.400 0.192 0.000 2.268 385 K HA 0.681 5.001 4.320 0.000 0.000 0.276 385 K C -1.195 175.627 176.600 0.370 0.000 1.080 385 K CA 0.032 56.468 56.287 0.249 0.000 0.910 385 K CB 0.185 32.735 32.500 0.083 0.000 1.163 385 K HN 0.643 nan 8.250 nan 0.000 0.465 386 I N 3.102 123.957 120.570 0.475 0.000 2.785 386 I HA 0.494 4.664 4.170 0.000 0.000 0.302 386 I C -0.636 175.626 176.117 0.242 0.000 1.069 386 I CA -1.099 60.423 61.300 0.370 0.000 1.045 386 I CB 2.144 40.268 38.000 0.207 0.000 1.236 386 I HN 0.519 nan 8.210 nan 0.000 0.429 387 R N 5.309 125.749 120.500 -0.101 0.000 2.538 387 R HA 0.468 4.809 4.340 0.000 0.000 0.292 387 R C -1.950 174.228 176.300 -0.202 0.000 1.008 387 R CA -0.650 55.220 56.100 -0.384 0.000 0.896 387 R CB 1.430 30.959 30.300 -1.283 0.000 1.187 387 R HN 0.423 nan 8.270 nan 0.000 0.440 388 I N 5.924 126.439 120.570 -0.093 0.000 2.291 388 I HA 0.095 4.265 4.170 0.000 0.000 0.292 388 I C 1.391 177.514 176.117 0.011 0.000 1.064 388 I CA -0.431 60.845 61.300 -0.041 0.000 1.269 388 I CB 0.979 38.968 38.000 -0.017 0.000 1.418 388 I HN 0.524 nan 8.210 nan 0.000 0.485 389 V N 5.604 125.496 119.914 -0.035 0.000 2.283 389 V HA -0.079 4.041 4.120 0.000 0.000 0.243 389 V C 0.826 177.055 176.094 0.226 0.000 1.039 389 V CA 1.650 63.979 62.300 0.049 0.000 1.016 389 V CB -0.351 31.401 31.823 -0.119 0.000 0.650 389 V HN 0.893 nan 8.190 nan 0.000 0.449 390 D N -3.175 117.346 120.400 0.201 0.000 2.677 390 D HA 0.437 5.077 4.640 0.000 0.000 0.298 390 D C 0.322 176.729 176.300 0.178 0.000 1.250 390 D CA 0.255 54.378 54.000 0.204 0.000 0.888 390 D CB 1.658 42.553 40.800 0.159 0.000 1.397 390 D HN 0.468 nan 8.370 nan 0.000 0.461 391 G N -0.347 108.532 108.800 0.132 0.000 2.569 391 G HA2 0.334 4.294 3.960 0.000 0.000 0.259 391 G HA3 0.334 4.294 3.960 0.000 0.000 0.259 391 G C -0.204 174.750 174.900 0.090 0.000 1.263 391 G CA 1.245 46.414 45.100 0.115 0.000 0.928 391 G HN 1.453 nan 8.290 nan 0.000 0.572 392 A N -2.535 120.341 122.820 0.094 0.000 2.583 392 A HA 1.011 5.331 4.320 0.000 0.000 0.299 392 A C 1.467 179.095 177.584 0.074 0.000 1.258 392 A CA 1.301 53.379 52.037 0.067 0.000 0.682 392 A CB 0.204 19.234 19.000 0.051 0.000 1.332 392 A HN 2.943 nan 8.150 nan 0.000 0.485 393 A N -0.367 122.487 122.820 0.056 0.000 2.771 393 A HA -0.203 4.117 4.320 0.000 0.000 0.294 393 A C -0.043 177.581 177.584 0.067 0.000 1.500 393 A CA 1.524 53.595 52.037 0.058 0.000 0.829 393 A CB -2.608 16.429 19.000 0.062 0.000 0.998 393 A HN 1.020 nan 8.150 nan 0.000 0.526 394 N N 0.767 119.504 118.700 0.062 0.000 2.438 394 N HA 0.558 5.298 4.740 0.000 0.000 0.282 394 N C -0.246 175.300 175.510 0.061 0.000 1.037 394 N CA -0.098 52.997 53.050 0.074 0.000 0.942 394 N CB 0.831 39.359 38.487 0.067 0.000 1.136 394 N HN 0.698 nan 8.380 nan 0.000 0.481 395 Q N 0.824 120.682 119.800 0.097 0.000 2.462 395 Q HA 0.549 4.889 4.340 0.000 0.000 0.285 395 Q C -1.687 174.403 176.000 0.150 0.000 1.035 395 Q CA -1.013 54.844 55.803 0.090 0.000 0.799 395 Q CB 1.939 30.727 28.738 0.082 0.000 1.452 395 Q HN 0.557 nan 8.270 nan 0.000 0.404 396 I N 0.869 121.515 120.570 0.126 0.000 2.433 396 I HA 0.327 4.497 4.170 0.000 0.000 0.292 396 I C -1.285 174.956 176.117 0.208 0.000 1.001 396 I CA -0.243 61.172 61.300 0.192 0.000 1.119 396 I CB 1.828 39.923 38.000 0.157 0.000 1.289 396 I HN 0.690 nan 8.210 nan 0.000 0.438 397 Q N 7.044 126.973 119.800 0.215 0.000 2.290 397 Q HA 0.532 4.872 4.340 0.000 0.000 0.269 397 Q C -2.054 174.025 176.000 0.132 0.000 1.016 397 Q CA -0.725 55.187 55.803 0.182 0.000 0.754 397 Q CB 2.046 30.863 28.738 0.133 0.000 1.247 397 Q HN 0.592 nan 8.270 nan 0.000 0.451 398 V N 1.641 121.630 119.914 0.126 0.000 2.417 398 V HA 0.864 4.984 4.120 0.000 0.000 0.291 398 V C -0.345 175.722 176.094 -0.044 0.000 1.024 398 V CA -0.737 61.534 62.300 -0.049 0.000 0.861 398 V CB 1.196 32.865 31.823 -0.257 0.000 0.985 398 V HN 0.777 nan 8.190 nan 0.000 0.436 399 A N 3.115 125.855 122.820 -0.133 0.000 2.359 399 A HA 0.774 5.094 4.320 0.000 0.000 0.303 399 A C -0.369 177.113 177.584 -0.170 0.000 1.066 399 A CA -0.587 51.382 52.037 -0.113 0.000 0.730 399 A CB 1.278 20.231 19.000 -0.078 0.000 1.211 399 A HN 0.920 nan 8.150 nan 0.000 0.439 400 D N 1.391 121.710 120.400 -0.134 0.000 2.772 400 D HA 0.415 5.055 4.640 0.000 0.000 0.272 400 D C 1.038 177.303 176.300 -0.058 0.000 1.314 400 D CA 0.432 54.357 54.000 -0.126 0.000 0.835 400 D CB 0.083 40.832 40.800 -0.085 0.000 1.080 400 D HN 1.305 nan 8.370 nan 0.000 0.482 401 G N 1.046 109.808 108.800 -0.063 0.000 3.909 401 G HA2 -0.431 3.530 3.960 0.000 0.000 0.218 401 G HA3 -0.431 3.530 3.960 0.000 0.000 0.218 401 G C 1.472 176.351 174.900 -0.035 0.000 1.404 401 G CA 0.701 45.776 45.100 -0.042 0.000 0.905 401 G HN 0.658 nan 8.290 nan 0.000 0.589 402 S N 0.535 116.222 115.700 -0.022 0.000 2.362 402 S HA 0.411 4.881 4.470 0.000 0.000 0.221 402 S C 1.228 175.796 174.600 -0.054 0.000 1.032 402 S CA 1.475 59.660 58.200 -0.025 0.000 0.973 402 S CB 0.184 63.383 63.200 -0.003 0.000 0.849 402 S HN 0.758 nan 8.310 nan 0.000 0.465 403 R N 0.439 120.894 120.500 -0.076 0.000 2.888 403 R HA 0.577 4.917 4.340 0.000 0.000 0.264 403 R C -1.149 175.003 176.300 -0.245 0.000 1.045 403 R CA -0.782 55.216 56.100 -0.169 0.000 0.962 403 R CB 1.471 31.642 30.300 -0.215 0.000 1.210 403 R HN 0.243 nan 8.270 nan 0.000 0.479 404 K N 1.645 121.836 120.400 -0.348 0.000 2.345 404 K HA 0.328 4.648 4.320 0.000 0.000 0.255 404 K C -1.592 174.760 176.600 -0.412 0.000 0.934 404 K CA -0.486 55.641 56.287 -0.267 0.000 0.801 404 K CB 1.180 33.620 32.500 -0.100 0.000 1.137 404 K HN 0.491 nan 8.250 nan 0.000 0.424 405 Y N 2.190 122.560 120.300 0.117 0.000 2.328 405 Y HA 0.386 4.936 4.550 0.000 0.000 0.336 405 Y C -0.599 175.514 175.900 0.354 0.000 0.960 405 Y CA -0.761 57.487 58.100 0.247 0.000 1.134 405 Y CB 2.190 40.744 38.460 0.157 0.000 1.166 405 Y HN 0.203 nan 8.280 nan 0.000 0.464 406 V N 4.542 124.808 119.914 0.588 0.000 2.525 406 V HA 0.436 4.556 4.120 0.000 0.000 0.299 406 V C -0.835 175.442 176.094 0.304 0.000 1.034 406 V CA -0.978 61.542 62.300 0.366 0.000 0.863 406 V CB 1.915 33.874 31.823 0.228 0.000 0.999 406 V HN 0.458 nan 8.190 nan 0.000 0.423 407 V N 3.419 123.460 119.914 0.212 0.000 2.311 407 V HA 0.358 4.478 4.120 0.000 0.000 0.275 407 V C 0.444 176.548 176.094 0.016 0.000 1.022 407 V CA -0.235 62.105 62.300 0.067 0.000 0.830 407 V CB 1.426 33.267 31.823 0.029 0.000 1.012 407 V HN 0.891 nan 8.190 nan 0.000 0.452 408 T N 7.292 121.847 114.554 0.003 0.000 2.728 408 T HA 0.570 4.920 4.350 0.000 0.000 0.296 408 T C -0.132 174.551 174.700 -0.029 0.000 0.940 408 T CA -0.020 62.081 62.100 0.001 0.000 1.013 408 T CB 0.159 69.038 68.868 0.019 0.000 0.912 408 T HN 0.353 nan 8.240 nan 0.000 0.484 409 L N 3.669 124.867 121.223 -0.042 0.000 2.322 409 L HA 0.749 5.089 4.340 0.000 0.000 0.279 409 L C 0.343 177.208 176.870 -0.009 0.000 1.036 409 L CA -0.534 54.280 54.840 -0.044 0.000 0.807 409 L CB 1.553 43.556 42.059 -0.093 0.000 1.226 409 L HN 0.718 nan 8.230 nan 0.000 0.433 410 S N 2.392 118.087 115.700 -0.009 0.000 2.552 410 S HA 0.584 5.054 4.470 0.000 0.000 0.272 410 S C -1.050 173.540 174.600 -0.017 0.000 1.150 410 S CA -0.947 57.255 58.200 0.003 0.000 0.849 410 S CB 1.901 65.108 63.200 0.010 0.000 1.113 410 S HN 0.523 nan 8.310 nan 0.000 0.458 411 I N 0.421 120.987 120.570 -0.006 0.000 2.336 411 I HA 0.564 4.735 4.170 0.000 0.000 0.292 411 I C -0.117 175.992 176.117 -0.014 0.000 0.991 411 I CA -0.160 61.121 61.300 -0.032 0.000 1.227 411 I CB 0.814 38.795 38.000 -0.032 0.000 1.366 411 I HN 0.840 nan 8.210 nan 0.000 0.466 412 D N 4.477 124.853 120.400 -0.039 0.000 2.390 412 D HA -0.077 4.563 4.640 0.000 0.000 0.236 412 D C 0.833 177.130 176.300 -0.006 0.000 1.189 412 D CA 0.306 54.289 54.000 -0.029 0.000 0.887 412 D CB 1.028 41.794 40.800 -0.058 0.000 1.198 412 D HN 0.770 nan 8.370 nan 0.000 0.444 413 E N 0.145 120.347 120.200 0.003 0.000 2.418 413 E HA -0.078 4.272 4.350 0.000 0.000 0.197 413 E C 0.694 177.307 176.600 0.020 0.000 1.026 413 E CA 0.338 56.748 56.400 0.017 0.000 0.862 413 E CB 0.254 29.963 29.700 0.015 0.000 0.799 413 E HN 0.254 nan 8.360 nan 0.000 0.518 414 S N -0.765 114.934 115.700 -0.001 0.000 2.556 414 S HA 0.206 4.676 4.470 0.000 0.000 0.216 414 S C 1.002 175.575 174.600 -0.045 0.000 0.970 414 S CA 0.353 58.552 58.200 -0.002 0.000 0.912 414 S CB 1.065 64.252 63.200 -0.021 0.000 0.790 414 S HN 0.419 nan 8.310 nan 0.000 0.504 415 G N 1.310 110.071 108.800 -0.066 0.000 2.248 415 G HA2 -0.057 3.903 3.960 0.000 0.000 0.263 415 G HA3 -0.057 3.903 3.960 0.000 0.000 0.263 415 G C 0.087 174.777 174.900 -0.351 0.000 1.082 415 G CA -0.232 44.770 45.100 -0.164 0.000 0.863 415 G HN 0.834 nan 8.290 nan 0.000 0.495 416 G N -1.114 107.556 108.800 -0.218 0.000 2.481 416 G HA2 0.755 4.715 3.960 0.000 0.000 0.315 416 G HA3 0.755 4.715 3.960 0.000 0.000 0.315 416 G C -0.450 174.350 174.900 -0.166 0.000 1.231 416 G CA -0.831 44.144 45.100 -0.210 0.000 0.968 416 G HN 1.050 nan 8.290 nan 0.000 0.482 417 L N 2.190 123.313 121.223 -0.165 0.000 2.290 417 L HA 0.631 4.971 4.340 0.000 0.000 0.284 417 L C -0.220 176.601 176.870 -0.081 0.000 1.078 417 L CA -0.182 54.583 54.840 -0.125 0.000 0.815 417 L CB 1.146 43.130 42.059 -0.124 0.000 1.162 417 L HN 0.278 nan 8.230 nan 0.000 0.435 418 V N 3.531 123.412 119.914 -0.056 0.000 2.864 418 V HA 0.922 5.042 4.120 0.000 0.000 0.314 418 V C -0.089 175.988 176.094 -0.029 0.000 1.073 418 V CA -0.565 61.709 62.300 -0.044 0.000 0.956 418 V CB 1.396 33.194 31.823 -0.043 0.000 1.023 418 V HN 0.952 nan 8.190 nan 0.000 0.435 419 A N 2.239 125.037 122.820 -0.037 0.000 2.335 419 A HA 0.771 5.091 4.320 0.000 0.000 0.304 419 A C -0.706 176.835 177.584 -0.071 0.000 1.118 419 A CA -0.608 51.403 52.037 -0.044 0.000 0.757 419 A CB 0.740 19.723 19.000 -0.029 0.000 1.188 419 A HN 0.724 nan 8.150 nan 0.000 0.460 420 N N 2.066 120.729 118.700 -0.061 0.000 2.424 420 N HA 0.531 5.271 4.740 0.000 0.000 0.271 420 N C -0.886 174.575 175.510 -0.082 0.000 0.985 420 N CA -0.130 52.883 53.050 -0.062 0.000 0.921 420 N CB 1.516 39.989 38.487 -0.024 0.000 1.149 420 N HN 0.616 nan 8.380 nan 0.000 0.492 421 L N 1.725 122.857 121.223 -0.152 0.000 2.360 421 L HA 0.385 4.726 4.340 0.000 0.000 0.271 421 L C 0.930 177.795 176.870 -0.008 0.000 1.057 421 L CA -1.143 53.572 54.840 -0.208 0.000 0.803 421 L CB 0.811 42.452 42.059 -0.697 0.000 1.207 421 L HN 0.527 nan 8.230 nan 0.000 0.445 422 N N 1.301 120.121 118.700 0.200 0.000 2.513 422 N HA 0.142 4.882 4.740 0.000 0.000 0.268 422 N C 0.707 176.370 175.510 0.255 0.000 1.180 422 N CA 0.489 53.675 53.050 0.227 0.000 0.948 422 N CB 1.482 40.116 38.487 0.244 0.000 1.083 422 N HN 0.822 nan 8.380 nan 0.000 0.455 423 G N 0.604 109.495 108.800 0.153 0.000 2.417 423 G HA2 -0.309 3.651 3.960 0.000 0.000 0.233 423 G HA3 -0.309 3.651 3.960 0.000 0.000 0.233 423 G C -0.005 174.961 174.900 0.110 0.000 1.103 423 G CA 0.496 45.676 45.100 0.134 0.000 0.647 423 G HN 0.764 nan 8.290 nan 0.000 0.512 424 V N 1.692 121.668 119.914 0.104 0.000 2.963 424 V HA 0.484 4.604 4.120 0.000 0.000 0.306 424 V C 1.702 177.809 176.094 0.021 0.000 1.077 424 V CA 1.046 63.373 62.300 0.046 0.000 1.124 424 V CB 1.396 33.203 31.823 -0.027 0.000 0.987 424 V HN 1.055 nan 8.190 nan 0.000 0.487 425 S N 1.046 116.754 115.700 0.013 0.000 2.499 425 S HA 0.343 4.813 4.470 0.000 0.000 0.225 425 S C 0.889 175.484 174.600 -0.007 0.000 1.050 425 S CA 0.378 58.582 58.200 0.007 0.000 0.928 425 S CB 0.171 63.378 63.200 0.012 0.000 0.803 425 S HN 1.234 nan 8.310 nan 0.000 0.506 426 A N 3.317 126.127 122.820 -0.017 0.000 2.252 426 A HA 0.739 5.059 4.320 0.000 0.000 0.309 426 A C -2.628 174.930 177.584 -0.043 0.000 1.285 426 A CA -1.474 50.548 52.037 -0.026 0.000 0.900 426 A CB -0.141 18.845 19.000 -0.024 0.000 1.157 426 A HN 0.341 nan 8.150 nan 0.000 0.536 427 P HA 0.373 nan 4.420 nan 0.000 0.274 427 P C -0.701 176.565 177.300 -0.057 0.000 1.237 427 P CA -0.119 62.951 63.100 -0.050 0.000 0.793 427 P CB 0.639 32.317 31.700 -0.036 0.000 0.977 428 I N 2.581 123.110 120.570 -0.068 0.000 2.382 428 I HA 0.279 4.450 4.170 0.000 0.000 0.286 428 I C 0.362 176.441 176.117 -0.064 0.000 1.002 428 I CA -0.831 60.427 61.300 -0.071 0.000 1.135 428 I CB 0.991 38.937 38.000 -0.090 0.000 1.288 428 I HN 0.228 nan 8.210 nan 0.000 0.448 429 I N 6.168 126.702 120.570 -0.061 0.000 2.741 429 I HA -0.153 4.017 4.170 0.000 0.000 0.288 429 I C 0.888 176.959 176.117 -0.076 0.000 1.192 429 I CA 0.367 61.628 61.300 -0.066 0.000 1.426 429 I CB 0.621 38.584 38.000 -0.062 0.000 1.367 429 I HN 0.571 nan 8.210 nan 0.000 0.563 430 L N 5.523 126.696 121.223 -0.084 0.000 2.467 430 L HA 0.251 4.591 4.340 0.000 0.000 0.213 430 L C 0.202 176.987 176.870 -0.141 0.000 1.053 430 L CA 1.396 56.175 54.840 -0.103 0.000 0.847 430 L CB 0.002 42.017 42.059 -0.073 0.000 1.075 430 L HN 0.548 nan 8.230 nan 0.000 0.479 431 Q N -1.861 117.857 119.800 -0.135 0.000 2.320 431 Q HA 0.292 4.632 4.340 0.000 0.000 0.272 431 Q C -0.033 175.894 176.000 -0.122 0.000 1.023 431 Q CA -0.063 55.657 55.803 -0.138 0.000 0.855 431 Q CB 2.065 30.700 28.738 -0.172 0.000 1.367 431 Q HN -0.148 nan 8.270 nan 0.000 0.406 432 S N 1.034 116.678 115.700 -0.095 0.000 2.510 432 S HA 0.055 4.525 4.470 0.000 0.000 0.230 432 S C -0.085 174.462 174.600 -0.088 0.000 1.066 432 S CA 0.251 58.393 58.200 -0.096 0.000 0.941 432 S CB 0.360 63.525 63.200 -0.059 0.000 0.829 432 S HN 0.485 nan 8.310 nan 0.000 0.530 433 E N 1.665 121.849 120.200 -0.027 0.000 2.463 433 E HA -0.038 4.312 4.350 0.000 0.000 0.248 433 E C 0.473 177.109 176.600 0.060 0.000 1.106 433 E CA -0.058 56.365 56.400 0.038 0.000 0.946 433 E CB 0.284 30.011 29.700 0.045 0.000 0.971 433 E HN 0.425 nan 8.360 nan 0.000 0.478 434 H N 2.541 121.618 119.070 0.012 0.000 2.407 434 H HA -0.297 4.259 4.556 0.000 0.000 0.293 434 H C 1.979 177.374 175.328 0.112 0.000 1.122 434 H CA 1.977 58.059 56.048 0.056 0.000 1.232 434 H CB -0.014 29.770 29.762 0.036 0.000 1.361 434 H HN 0.620 nan 8.280 nan 0.000 0.498 435 A N 0.796 123.736 122.820 0.199 0.000 1.902 435 A HA -0.181 4.139 4.320 0.000 0.000 0.217 435 A C 2.100 179.786 177.584 0.171 0.000 1.181 435 A CA 1.758 53.901 52.037 0.176 0.000 0.623 435 A CB -0.176 18.911 19.000 0.145 0.000 0.818 435 A HN 0.405 nan 8.150 nan 0.000 0.443 436 K N -0.350 120.135 120.400 0.143 0.000 2.228 436 K HA 0.046 4.366 4.320 0.000 0.000 0.202 436 K C 1.654 178.362 176.600 0.181 0.000 1.051 436 K CA 0.980 57.384 56.287 0.195 0.000 0.960 436 K CB -0.225 32.370 32.500 0.157 0.000 0.743 436 K HN 0.285 nan 8.250 nan 0.000 0.458 437 V N 1.120 121.044 119.914 0.017 0.000 2.688 437 V HA -0.223 3.897 4.120 0.000 0.000 0.256 437 V C 0.837 176.730 176.094 -0.335 0.000 1.084 437 V CA 1.785 63.974 62.300 -0.183 0.000 1.103 437 V CB -0.738 30.892 31.823 -0.322 0.000 0.688 437 V HN 0.356 nan 8.190 nan 0.000 0.480 438 H N -1.347 117.760 119.070 0.062 0.000 2.662 438 H HA 0.319 4.875 4.556 0.000 0.000 0.268 438 H C 0.930 176.218 175.328 -0.067 0.000 1.152 438 H CA 0.386 56.433 56.048 -0.002 0.000 1.072 438 H CB 0.430 30.193 29.762 0.001 0.000 1.660 438 H HN 0.503 nan 8.280 nan 0.000 0.584 439 S N -0.622 115.097 115.700 0.031 0.000 2.745 439 S HA 0.396 4.866 4.470 0.000 0.000 0.292 439 S C -0.136 174.232 174.600 -0.386 0.000 1.133 439 S CA -0.830 57.291 58.200 -0.131 0.000 0.998 439 S CB 1.132 64.293 63.200 -0.065 0.000 1.087 439 S HN 0.044 nan 8.310 nan 0.000 0.551 440 F N 0.931 120.703 119.950 -0.296 0.000 2.496 440 F HA 0.392 4.919 4.527 0.000 0.000 0.344 440 F C 0.806 176.204 175.800 -0.671 0.000 1.155 440 F CA 0.702 58.540 58.000 -0.270 0.000 1.302 440 F CB 0.485 39.415 39.000 -0.117 0.000 1.159 440 F HN 0.665 nan 8.300 nan 0.000 0.595 441 H N -0.331 118.896 119.070 0.262 0.000 3.087 441 H HA 0.194 4.750 4.556 0.000 0.000 0.348 441 H C -1.423 173.939 175.328 0.056 0.000 1.092 441 H CA -0.993 55.084 56.048 0.048 0.000 1.285 441 H CB 1.142 30.820 29.762 -0.139 0.000 1.875 441 H HN 0.440 nan 8.280 nan 0.000 0.512 442 D N 3.265 123.731 120.400 0.111 0.000 2.352 442 D HA 0.036 4.676 4.640 0.000 0.000 0.245 442 D C -0.513 175.829 176.300 0.070 0.000 1.224 442 D CA 0.225 54.298 54.000 0.121 0.000 0.879 442 D CB 0.730 41.579 40.800 0.081 0.000 1.057 442 D HN 0.385 nan 8.370 nan 0.000 0.491 443 Y N 1.494 121.902 120.300 0.180 0.000 2.350 443 Y HA 0.184 4.734 4.550 0.000 0.000 0.340 443 Y C 0.930 176.954 175.900 0.207 0.000 1.006 443 Y CA -0.330 57.881 58.100 0.185 0.000 1.166 443 Y CB 1.152 39.716 38.460 0.174 0.000 1.168 443 Y HN 0.265 nan 8.280 nan 0.000 0.502 444 E N 3.684 124.103 120.200 0.366 0.000 2.221 444 E HA 0.678 5.028 4.350 0.000 0.000 0.268 444 E C -1.636 175.222 176.600 0.430 0.000 0.933 444 E CA -0.758 55.850 56.400 0.348 0.000 0.809 444 E CB 1.262 31.131 29.700 0.282 0.000 1.190 444 E HN 0.607 nan 8.360 nan 0.000 0.406 445 L N 3.118 124.590 121.223 0.414 0.000 2.439 445 L HA 0.330 4.670 4.340 0.000 0.000 0.270 445 L C -1.050 176.028 176.870 0.346 0.000 0.972 445 L CA -0.829 54.278 54.840 0.444 0.000 0.836 445 L CB 2.056 44.430 42.059 0.526 0.000 1.255 445 L HN 0.441 nan 8.230 nan 0.000 0.404 446 Q N 2.238 122.161 119.800 0.205 0.000 2.348 446 Q HA 0.317 4.657 4.340 0.000 0.000 0.265 446 Q C -1.346 174.454 176.000 -0.333 0.000 0.998 446 Q CA -0.425 55.376 55.803 -0.002 0.000 0.831 446 Q CB 1.402 30.169 28.738 0.049 0.000 1.251 446 Q HN 0.351 nan 8.270 nan 0.000 0.456 447 Y N 1.733 121.498 120.300 -0.891 0.000 2.350 447 Y HA 0.491 5.042 4.550 0.000 0.000 0.340 447 Y C -0.525 174.931 175.900 -0.740 0.000 1.006 447 Y CA -0.302 57.016 58.100 -1.304 0.000 1.166 447 Y CB 1.166 37.895 38.460 -2.884 0.000 1.168 447 Y HN 0.495 nan 8.280 nan 0.000 0.502 448 S N 5.647 120.537 115.700 -1.350 0.000 2.520 448 S HA 0.553 5.024 4.470 0.000 0.000 0.324 448 S C 0.767 174.566 174.600 -1.334 0.000 1.069 448 S CA -0.104 57.474 58.200 -1.036 0.000 1.121 448 S CB 0.494 63.367 63.200 -0.544 0.000 0.971 448 S HN 0.987 nan 8.310 nan 0.000 0.463 449 A N 4.836 126.982 122.820 -1.124 0.000 1.865 449 A HA -0.085 4.235 4.320 0.000 0.000 0.217 449 A C 1.956 179.038 177.584 -0.836 0.000 1.191 449 A CA 1.661 53.175 52.037 -0.871 0.000 0.623 449 A CB -0.981 17.837 19.000 -0.303 0.000 0.826 449 A HN 0.809 nan 8.150 nan 0.000 0.444 450 L N 0.348 121.290 121.223 -0.469 0.000 2.059 450 L HA -0.363 3.977 4.340 0.000 0.000 0.242 450 L C 2.019 178.741 176.870 -0.246 0.000 1.107 450 L CA 2.890 57.560 54.840 -0.282 0.000 0.836 450 L CB -0.462 41.469 42.059 -0.213 0.000 0.933 450 L HN 0.807 nan 8.230 nan 0.000 0.446 451 N N -2.891 115.658 118.700 -0.251 0.000 2.268 451 N HA -0.064 4.676 4.740 0.000 0.000 0.204 451 N C -0.219 175.260 175.510 -0.053 0.000 1.124 451 N CA -0.055 52.929 53.050 -0.110 0.000 0.838 451 N CB -0.076 38.360 38.487 -0.085 0.000 0.994 451 N HN 0.435 nan 8.380 nan 0.000 0.489 452 H N -0.392 118.579 119.070 -0.164 0.000 2.672 452 H HA -0.141 4.415 4.556 0.000 0.000 0.325 452 H C -0.692 174.631 175.328 -0.008 0.000 1.158 452 H CA 1.411 57.420 56.048 -0.065 0.000 1.134 452 H CB -1.916 27.886 29.762 0.067 0.000 1.553 452 H HN 0.713 nan 8.280 nan 0.000 0.419 453 T N -2.475 111.991 114.554 -0.148 0.000 2.792 453 T HA 0.637 4.987 4.350 0.000 0.000 0.303 453 T C 0.027 174.514 174.700 -0.355 0.000 1.310 453 T CA -0.763 61.283 62.100 -0.089 0.000 1.007 453 T CB 3.060 71.898 68.868 -0.049 0.000 1.335 453 T HN 0.103 nan 8.240 nan 0.000 0.504 454 T N 1.002 115.269 114.554 -0.479 0.000 2.916 454 T HA 0.784 5.134 4.350 0.000 0.000 0.292 454 T C -0.838 173.753 174.700 -0.181 0.000 1.064 454 T CA -0.658 61.091 62.100 -0.585 0.000 1.011 454 T CB 1.970 70.121 68.868 -1.195 0.000 1.152 454 T HN 0.837 nan 8.240 nan 0.000 0.510 455 T N 2.045 116.614 114.554 0.025 0.000 2.876 455 T HA 0.561 4.911 4.350 0.000 0.000 0.289 455 T C -1.231 173.639 174.700 0.284 0.000 1.014 455 T CA -0.591 61.628 62.100 0.198 0.000 0.986 455 T CB 1.498 70.429 68.868 0.104 0.000 1.021 455 T HN 0.326 nan 8.240 nan 0.000 0.458 456 L N 3.405 124.694 121.223 0.110 0.000 2.276 456 L HA 0.625 4.965 4.340 0.000 0.000 0.286 456 L C -1.596 175.121 176.870 -0.255 0.000 1.061 456 L CA -0.450 54.440 54.840 0.083 0.000 0.807 456 L CB -0.232 41.840 42.059 0.020 0.000 1.177 456 L HN 0.569 nan 8.230 nan 0.000 0.429 457 F N 5.257 125.275 119.950 0.115 0.000 2.532 457 F HA 0.338 4.865 4.527 0.000 0.000 0.365 457 F C -0.077 175.721 175.800 -0.004 0.000 1.112 457 F CA -0.777 57.252 58.000 0.047 0.000 1.082 457 F CB 1.382 40.410 39.000 0.047 0.000 1.319 457 F HN 0.047 nan 8.300 nan 0.000 0.457 458 V N 3.992 123.918 119.914 0.020 0.000 2.352 458 V HA 0.101 4.221 4.120 0.000 0.000 0.253 458 V C -0.288 175.768 176.094 -0.063 0.000 1.083 458 V CA -0.590 61.611 62.300 -0.165 0.000 0.993 458 V CB -0.375 31.261 31.823 -0.311 0.000 1.111 458 V HN 0.743 nan 8.190 nan 0.000 0.490 459 D N 4.743 125.142 120.400 -0.002 0.000 3.082 459 D HA -0.191 4.449 4.640 0.000 0.000 0.234 459 D C 1.300 177.637 176.300 0.062 0.000 1.159 459 D CA 1.145 55.168 54.000 0.038 0.000 0.875 459 D CB -0.981 39.847 40.800 0.047 0.000 0.946 459 D HN 1.117 nan 8.370 nan 0.000 0.411 460 G N 1.092 109.954 108.800 0.103 0.000 2.382 460 G HA2 -0.416 3.544 3.960 0.000 0.000 0.259 460 G HA3 -0.416 3.544 3.960 0.000 0.000 0.259 460 G C 0.377 175.403 174.900 0.210 0.000 1.009 460 G CA 0.870 46.044 45.100 0.124 0.000 0.625 460 G HN 0.534 nan 8.290 nan 0.000 0.541 461 Q N 0.993 120.875 119.800 0.137 0.000 2.348 461 Q HA 0.457 4.797 4.340 0.000 0.000 0.251 461 Q C 0.388 176.399 176.000 0.017 0.000 1.113 461 Q CA -0.040 55.805 55.803 0.069 0.000 0.902 461 Q CB 0.762 29.489 28.738 -0.018 0.000 1.333 461 Q HN 0.579 nan 8.270 nan 0.000 0.457 462 Q N 3.121 122.912 119.800 -0.014 0.000 2.262 462 Q HA -0.021 4.319 4.340 0.000 0.000 0.272 462 Q C 0.059 175.845 176.000 -0.356 0.000 1.076 462 Q CA -0.001 55.480 55.803 -0.537 0.000 0.905 462 Q CB 0.506 29.111 28.738 -0.222 0.000 1.182 462 Q HN 0.628 nan 8.270 nan 0.000 0.390 463 I N 2.091 122.417 120.570 -0.407 0.000 3.025 463 I HA 0.159 4.329 4.170 0.000 0.000 0.236 463 I C 0.865 176.866 176.117 -0.193 0.000 1.063 463 I CA 0.726 61.888 61.300 -0.230 0.000 1.476 463 I CB -0.827 37.066 38.000 -0.178 0.000 1.331 463 I HN 0.520 nan 8.210 nan 0.000 0.457 464 T N 0.697 115.139 114.554 -0.186 0.000 2.804 464 T HA 0.626 4.976 4.350 0.000 0.000 0.290 464 T C -0.557 174.152 174.700 0.015 0.000 1.099 464 T CA -0.446 61.597 62.100 -0.095 0.000 1.011 464 T CB 2.374 71.176 68.868 -0.110 0.000 1.291 464 T HN 0.062 nan 8.240 nan 0.000 0.523 465 T N 1.312 115.949 114.554 0.139 0.000 2.900 465 T HA 0.752 5.102 4.350 0.000 0.000 0.295 465 T C -1.572 173.417 174.700 0.481 0.000 1.044 465 T CA -0.900 61.370 62.100 0.283 0.000 0.995 465 T CB 1.358 70.297 68.868 0.118 0.000 1.072 465 T HN 0.862 nan 8.240 nan 0.000 0.473 466 W N 0.102 121.435 121.300 0.055 0.000 3.064 466 W HA 0.681 5.341 4.660 0.000 0.000 0.328 466 W C -2.304 174.412 176.519 0.328 0.000 1.210 466 W CA -1.265 56.170 57.345 0.150 0.000 1.178 466 W CB 0.569 30.120 29.460 0.151 0.000 1.416 466 W HN 0.828 nan 8.180 nan 0.000 0.568 467 A N 2.902 125.815 122.820 0.155 0.000 2.360 467 A HA 0.683 5.003 4.320 0.000 0.000 0.309 467 A C 0.273 177.838 177.584 -0.031 0.000 1.311 467 A CA -0.055 52.056 52.037 0.124 0.000 0.805 467 A CB 0.093 19.178 19.000 0.141 0.000 1.144 467 A HN 1.466 nan 8.150 nan 0.000 0.486 468 G N 1.164 109.723 108.800 -0.402 0.000 2.593 468 G HA2 0.340 4.300 3.960 0.000 0.000 0.279 468 G HA3 0.340 4.300 3.960 0.000 0.000 0.279 468 G C 0.114 174.903 174.900 -0.185 0.000 1.329 468 G CA -0.390 44.566 45.100 -0.240 0.000 1.036 468 G HN 0.787 nan 8.290 nan 0.000 0.555 469 E N -1.779 118.365 120.200 -0.093 0.000 2.425 469 E HA 0.265 4.615 4.350 0.000 0.000 0.258 469 E C -0.136 176.400 176.600 -0.108 0.000 1.151 469 E CA -0.304 56.058 56.400 -0.062 0.000 0.958 469 E CB 0.920 30.610 29.700 -0.017 0.000 0.968 469 E HN 0.139 nan 8.360 nan 0.000 0.451 470 V N 1.885 121.760 119.914 -0.066 0.000 2.509 470 V HA 0.356 4.476 4.120 0.000 0.000 0.284 470 V C 0.219 176.281 176.094 -0.053 0.000 1.047 470 V CA -0.206 62.055 62.300 -0.065 0.000 0.952 470 V CB 0.846 32.642 31.823 -0.044 0.000 0.988 470 V HN 0.821 nan 8.190 nan 0.000 0.469 471 S N 3.312 118.978 115.700 -0.058 0.000 2.752 471 S HA 0.534 5.004 4.470 0.000 0.000 0.284 471 S C -0.665 173.909 174.600 -0.042 0.000 1.189 471 S CA -0.844 57.328 58.200 -0.046 0.000 0.835 471 S CB 2.224 65.392 63.200 -0.053 0.000 1.192 471 S HN 0.422 nan 8.310 nan 0.000 0.506 472 Q N 0.276 120.053 119.800 -0.038 0.000 2.135 472 Q HA 0.361 4.701 4.340 0.000 0.000 0.231 472 Q C -0.977 174.999 176.000 -0.041 0.000 0.817 472 Q CA 0.073 55.855 55.803 -0.035 0.000 1.073 472 Q CB 0.518 29.239 28.738 -0.029 0.000 1.176 472 Q HN 0.742 nan 8.270 nan 0.000 0.478 473 E N 0.979 121.150 120.200 -0.048 0.000 2.200 473 E HA 0.255 4.605 4.350 0.000 0.000 0.283 473 E C -0.544 176.013 176.600 -0.071 0.000 1.015 473 E CA -0.218 56.148 56.400 -0.056 0.000 0.819 473 E CB 0.764 30.433 29.700 -0.052 0.000 1.081 473 E HN 0.022 nan 8.360 nan 0.000 0.397 474 N N 3.504 122.156 118.700 -0.078 0.000 2.816 474 N HA 0.159 4.899 4.740 0.000 0.000 0.236 474 N C -1.364 174.074 175.510 -0.121 0.000 1.076 474 N CA -0.315 52.675 53.050 -0.100 0.000 0.902 474 N CB 0.234 38.672 38.487 -0.083 0.000 1.149 474 N HN 0.332 nan 8.380 nan 0.000 0.506 475 N N 1.669 120.288 118.700 -0.134 0.000 2.357 475 N HA 0.454 5.195 4.740 0.000 0.000 0.284 475 N C -1.732 173.695 175.510 -0.139 0.000 1.236 475 N CA -0.525 52.446 53.050 -0.131 0.000 0.774 475 N CB 1.925 40.364 38.487 -0.081 0.000 1.534 475 N HN 0.264 nan 8.380 nan 0.000 0.478 476 I N 0.863 121.358 120.570 -0.126 0.000 2.447 476 I HA 0.399 4.569 4.170 0.000 0.000 0.287 476 I C -1.059 175.117 176.117 0.097 0.000 1.023 476 I CA -0.506 60.776 61.300 -0.029 0.000 1.083 476 I CB 1.054 39.021 38.000 -0.054 0.000 1.245 476 I HN 0.471 nan 8.210 nan 0.000 0.434 477 Q N 6.676 126.607 119.800 0.218 0.000 2.340 477 Q HA 0.645 4.985 4.340 0.000 0.000 0.276 477 Q C -2.044 174.145 176.000 0.314 0.000 1.048 477 Q CA -0.679 55.266 55.803 0.236 0.000 0.832 477 Q CB 2.700 31.498 28.738 0.100 0.000 1.373 477 Q HN 0.594 nan 8.270 nan 0.000 0.409 478 F N 0.172 120.273 119.950 0.252 0.000 2.645 478 F HA 0.948 5.476 4.527 0.000 0.000 0.310 478 F C -0.223 175.677 175.800 0.166 0.000 1.102 478 F CA 0.026 58.134 58.000 0.181 0.000 0.952 478 F CB 1.312 40.416 39.000 0.173 0.000 1.326 478 F HN 0.728 nan 8.300 nan 0.000 0.456 479 G N 1.775 110.839 108.800 0.440 0.000 2.291 479 G HA2 0.192 4.152 3.960 0.000 0.000 0.249 479 G HA3 0.192 4.152 3.960 0.000 0.000 0.249 479 G C -2.295 172.710 174.900 0.175 0.000 1.340 479 G CA -0.679 44.608 45.100 0.311 0.000 1.017 479 G HN 1.103 nan 8.290 nan 0.000 0.470 480 N N 0.285 119.045 118.700 0.101 0.000 2.443 480 N HA 0.678 5.419 4.740 0.000 0.000 0.269 480 N C 0.919 176.455 175.510 0.043 0.000 0.985 480 N CA 0.736 53.831 53.050 0.074 0.000 0.921 480 N CB 1.811 40.335 38.487 0.061 0.000 1.195 480 N HN 0.968 nan 8.380 nan 0.000 0.492 481 A N 2.924 125.773 122.820 0.048 0.000 1.826 481 A HA -0.036 4.284 4.320 0.000 0.000 0.214 481 A C 0.743 178.343 177.584 0.026 0.000 1.212 481 A CA 0.974 53.029 52.037 0.032 0.000 0.605 481 A CB -0.611 18.412 19.000 0.038 0.000 0.861 481 A HN 0.716 nan 8.150 nan 0.000 0.447 482 D N -0.658 119.766 120.400 0.041 0.000 2.382 482 D HA 0.427 5.067 4.640 0.000 0.000 0.245 482 D C 0.912 177.241 176.300 0.049 0.000 1.120 482 D CA 0.682 54.707 54.000 0.042 0.000 0.890 482 D CB 1.494 42.324 40.800 0.050 0.000 1.201 482 D HN 0.210 nan 8.370 nan 0.000 0.433 483 A N 3.276 126.118 122.820 0.037 0.000 2.123 483 A HA -0.060 4.260 4.320 0.000 0.000 0.214 483 A C 1.601 179.228 177.584 0.070 0.000 1.152 483 A CA 0.776 52.837 52.037 0.040 0.000 0.728 483 A CB 0.114 19.121 19.000 0.010 0.000 0.814 483 A HN 0.596 nan 8.150 nan 0.000 0.464 484 Q N -0.796 119.045 119.800 0.067 0.000 2.247 484 Q HA 0.408 4.748 4.340 0.000 0.000 0.204 484 Q C -0.715 175.342 176.000 0.095 0.000 0.872 484 Q CA 0.091 55.941 55.803 0.077 0.000 0.951 484 Q CB 0.646 29.416 28.738 0.053 0.000 1.099 484 Q HN 0.550 nan 8.270 nan 0.000 0.501 485 I N 1.825 122.459 120.570 0.105 0.000 2.410 485 I HA 0.220 4.390 4.170 0.000 0.000 0.286 485 I C -0.882 175.331 176.117 0.161 0.000 1.009 485 I CA -0.723 60.645 61.300 0.114 0.000 1.111 485 I CB 1.577 39.630 38.000 0.089 0.000 1.262 485 I HN -0.008 nan 8.210 nan 0.000 0.443 486 D N 6.107 126.625 120.400 0.197 0.000 2.256 486 D HA 0.531 5.171 4.640 0.000 0.000 0.250 486 D C 0.134 176.603 176.300 0.282 0.000 1.093 486 D CA 0.026 54.203 54.000 0.294 0.000 0.882 486 D CB 2.542 43.528 40.800 0.310 0.000 1.185 486 D HN 0.708 nan 8.370 nan 0.000 0.437 487 G N 0.760 109.781 108.800 0.369 0.000 2.646 487 G HA2 0.549 4.509 3.960 0.000 0.000 0.291 487 G HA3 0.549 4.509 3.960 0.000 0.000 0.291 487 G C -1.444 173.617 174.900 0.268 0.000 1.445 487 G CA -0.931 44.344 45.100 0.291 0.000 0.814 487 G HN 0.448 nan 8.290 nan 0.000 0.495 488 R N -0.114 120.506 120.500 0.200 0.000 2.604 488 R HA 0.748 5.088 4.340 0.000 0.000 0.281 488 R C -1.956 174.368 176.300 0.039 0.000 1.020 488 R CA -0.755 55.354 56.100 0.015 0.000 0.899 488 R CB 2.019 32.264 30.300 -0.092 0.000 1.205 488 R HN 0.690 nan 8.270 nan 0.000 0.450 489 L N 2.387 123.648 121.223 0.063 0.000 2.371 489 L HA 0.637 4.977 4.340 0.000 0.000 0.262 489 L C -1.708 175.332 176.870 0.283 0.000 1.006 489 L CA -0.794 54.106 54.840 0.100 0.000 0.818 489 L CB 2.286 44.407 42.059 0.103 0.000 1.354 489 L HN 0.806 nan 8.230 nan 0.000 0.415 490 H N 2.252 121.304 119.070 -0.030 0.000 2.689 490 H HA 0.604 5.160 4.556 0.000 0.000 0.346 490 H C -0.985 174.425 175.328 0.137 0.000 1.037 490 H CA -0.556 55.501 56.048 0.014 0.000 1.234 490 H CB 2.074 31.857 29.762 0.035 0.000 1.572 490 H HN 0.357 nan 8.280 nan 0.000 0.524 491 V N 2.815 122.864 119.914 0.225 0.000 2.732 491 V HA 0.282 4.402 4.120 0.000 0.000 0.310 491 V C 0.790 177.007 176.094 0.205 0.000 1.053 491 V CA -0.471 61.930 62.300 0.169 0.000 0.957 491 V CB 2.302 34.082 31.823 -0.072 0.000 1.018 491 V HN 0.794 nan 8.190 nan 0.000 0.452 492 Q N 1.285 121.154 119.800 0.116 0.000 2.527 492 Q HA 0.356 4.696 4.340 0.000 0.000 0.252 492 Q C 0.183 176.135 176.000 -0.079 0.000 0.827 492 Q CA 0.179 55.981 55.803 -0.002 0.000 0.979 492 Q CB 0.968 29.576 28.738 -0.218 0.000 1.248 492 Q HN 0.677 nan 8.270 nan 0.000 0.578 493 K N 0.053 120.425 120.400 -0.046 0.000 2.557 493 K HA 0.526 4.846 4.320 0.000 0.000 0.261 493 K C -2.035 174.605 176.600 0.066 0.000 0.932 493 K CA -0.291 55.975 56.287 -0.035 0.000 0.829 493 K CB 1.629 34.107 32.500 -0.036 0.000 1.358 493 K HN 0.067 nan 8.250 nan 0.000 0.430 494 I N 3.438 124.103 120.570 0.157 0.000 2.619 494 I HA 0.558 4.728 4.170 0.000 0.000 0.292 494 I C -1.178 175.099 176.117 0.266 0.000 1.100 494 I CA -0.911 60.540 61.300 0.251 0.000 1.043 494 I CB 2.315 40.540 38.000 0.375 0.000 1.239 494 I HN 0.303 nan 8.210 nan 0.000 0.420 495 V N 5.851 125.898 119.914 0.222 0.000 3.049 495 V HA 0.606 4.726 4.120 0.000 0.000 0.309 495 V C -1.314 174.880 176.094 0.166 0.000 1.148 495 V CA -0.770 61.640 62.300 0.183 0.000 0.990 495 V CB 2.558 34.460 31.823 0.132 0.000 1.039 495 V HN 0.476 nan 8.190 nan 0.000 0.430 496 L N 2.344 123.645 121.223 0.131 0.000 2.528 496 L HA 0.814 5.154 4.340 0.000 0.000 0.267 496 L C -0.585 176.339 176.870 0.090 0.000 0.961 496 L CA 0.311 55.206 54.840 0.091 0.000 0.866 496 L CB 1.970 44.041 42.059 0.019 0.000 1.248 496 L HN 0.902 nan 8.230 nan 0.000 0.404 497 T N 3.708 118.331 114.554 0.114 0.000 2.876 497 T HA 0.627 4.977 4.350 0.000 0.000 0.289 497 T C -1.294 173.475 174.700 0.115 0.000 1.014 497 T CA -0.270 61.891 62.100 0.102 0.000 0.986 497 T CB 1.440 70.351 68.868 0.073 0.000 1.021 497 T HN 0.758 nan 8.240 nan 0.000 0.458 498 Q N 2.157 121.985 119.800 0.047 0.000 2.397 498 Q HA 0.358 4.698 4.340 0.000 0.000 0.275 498 Q C -1.082 174.708 176.000 -0.349 0.000 1.090 498 Q CA -0.656 55.160 55.803 0.021 0.000 0.809 498 Q CB 1.623 30.448 28.738 0.146 0.000 1.362 498 Q HN 0.881 nan 8.270 nan 0.000 0.431 499 Q N 1.632 121.292 119.800 -0.233 0.000 2.391 499 Q HA -0.258 4.082 4.340 0.000 0.000 0.366 499 Q C 0.196 175.824 176.000 -0.621 0.000 1.305 499 Q CA 0.878 56.479 55.803 -0.337 0.000 1.123 499 Q CB -1.516 27.107 28.738 -0.191 0.000 1.259 499 Q HN 1.051 nan 8.270 nan 0.000 0.307 500 G N 2.604 111.214 108.800 -0.315 0.000 2.379 500 G HA2 -0.298 3.662 3.960 0.000 0.000 0.297 500 G HA3 -0.298 3.662 3.960 0.000 0.000 0.297 500 G C -0.273 174.542 174.900 -0.142 0.000 1.004 500 G CA 0.955 45.943 45.100 -0.187 0.000 0.921 500 G HN 1.092 nan 8.290 nan 0.000 0.511 501 H N -2.924 116.167 119.070 0.036 0.000 3.087 501 H HA 0.322 4.878 4.556 0.000 0.000 0.348 501 H C -0.658 174.692 175.328 0.036 0.000 1.092 501 H CA -0.955 55.111 56.048 0.030 0.000 1.285 501 H CB 0.468 30.244 29.762 0.023 0.000 1.875 501 H HN 0.132 nan 8.280 nan 0.000 0.512 502 N N 3.083 121.883 118.700 0.166 0.000 2.399 502 N HA 0.058 4.799 4.740 0.000 0.000 0.259 502 N C 1.442 177.020 175.510 0.114 0.000 1.160 502 N CA -0.349 52.772 53.050 0.119 0.000 0.946 502 N CB 1.402 39.941 38.487 0.086 0.000 1.156 502 N HN 0.418 nan 8.380 nan 0.000 0.489 503 L N 2.045 123.334 121.223 0.109 0.000 2.023 503 L HA 0.018 4.358 4.340 0.000 0.000 0.205 503 L C 0.933 177.821 176.870 0.029 0.000 1.073 503 L CA 0.898 55.775 54.840 0.060 0.000 0.745 503 L CB -0.464 41.616 42.059 0.035 0.000 0.900 503 L HN 0.388 nan 8.230 nan 0.000 0.435 504 V N -2.748 117.194 119.914 0.048 0.000 2.876 504 V HA 0.618 4.738 4.120 0.000 0.000 0.312 504 V C -0.886 175.305 176.094 0.161 0.000 1.085 504 V CA -0.553 61.790 62.300 0.072 0.000 0.945 504 V CB 2.607 34.433 31.823 0.005 0.000 1.017 504 V HN 0.227 nan 8.190 nan 0.000 0.428 505 E N 3.581 123.918 120.200 0.229 0.000 2.367 505 E HA 0.357 4.708 4.350 0.000 0.000 0.292 505 E C -2.565 174.248 176.600 0.355 0.000 0.900 505 E CA -0.334 56.214 56.400 0.247 0.000 0.807 505 E CB 2.108 31.892 29.700 0.141 0.000 1.337 505 E HN 0.824 nan 8.360 nan 0.000 0.394 506 F N 4.223 124.298 119.950 0.209 0.000 2.460 506 F HA 0.384 4.911 4.527 0.000 0.000 0.341 506 F C -1.018 174.838 175.800 0.094 0.000 1.130 506 F CA -0.960 57.138 58.000 0.162 0.000 0.962 506 F CB 1.259 40.363 39.000 0.174 0.000 1.171 506 F HN 0.214 nan 8.300 nan 0.000 0.436 507 D N 5.066 125.209 120.400 -0.429 0.000 2.477 507 D HA 0.427 5.067 4.640 0.000 0.000 0.239 507 D C 0.713 176.716 176.300 -0.495 0.000 1.102 507 D CA 0.097 53.890 54.000 -0.345 0.000 0.901 507 D CB 1.505 42.259 40.800 -0.076 0.000 1.026 507 D HN 0.652 nan 8.370 nan 0.000 0.515 508 A N 3.638 126.073 122.820 -0.643 0.000 1.902 508 A HA -0.147 4.173 4.320 0.000 0.000 0.217 508 A C 1.908 179.500 177.584 0.012 0.000 1.181 508 A CA 0.877 52.752 52.037 -0.270 0.000 0.623 508 A CB -0.849 18.130 19.000 -0.036 0.000 0.818 508 A HN 0.646 nan 8.150 nan 0.000 0.443 509 F N -0.532 119.351 119.950 -0.111 0.000 2.087 509 F HA -0.308 4.219 4.527 0.000 0.000 0.299 509 F C 2.150 177.922 175.800 -0.047 0.000 1.100 509 F CA 2.380 60.335 58.000 -0.075 0.000 1.226 509 F CB -0.570 38.361 39.000 -0.114 0.000 0.983 509 F HN 0.401 nan 8.300 nan 0.000 0.479 510 Y N 0.597 120.874 120.300 -0.039 0.000 2.163 510 Y HA -0.179 4.371 4.550 0.000 0.000 0.288 510 Y C 1.950 177.717 175.900 -0.221 0.000 1.136 510 Y CA 2.140 60.153 58.100 -0.146 0.000 1.147 510 Y CB -0.514 37.926 38.460 -0.034 0.000 0.987 510 Y HN 0.129 nan 8.280 nan 0.000 0.509 511 L N -0.147 120.917 121.223 -0.265 0.000 2.072 511 L HA -0.101 4.239 4.340 0.000 0.000 0.205 511 L C 2.867 179.431 176.870 -0.511 0.000 1.079 511 L CA 0.953 55.531 54.840 -0.438 0.000 0.752 511 L CB -1.201 40.633 42.059 -0.376 0.000 0.906 511 L HN 0.284 nan 8.230 nan 0.000 0.436 512 A N -0.207 122.408 122.820 -0.343 0.000 1.929 512 A HA -0.290 4.030 4.320 0.000 0.000 0.221 512 A C 2.185 179.678 177.584 -0.151 0.000 1.211 512 A CA 1.931 53.886 52.037 -0.138 0.000 0.657 512 A CB -0.540 18.479 19.000 0.031 0.000 0.827 512 A HN 0.507 nan 8.150 nan 0.000 0.462 513 Q N -0.338 119.295 119.800 -0.279 0.000 2.444 513 Q HA 0.038 4.379 4.340 0.000 0.000 0.206 513 Q C -0.029 175.840 176.000 -0.218 0.000 0.948 513 Q CA 0.268 55.935 55.803 -0.227 0.000 0.946 513 Q CB 0.114 28.644 28.738 -0.346 0.000 1.027 513 Q HN 0.678 nan 8.270 nan 0.000 0.513 514 Q N 1.333 120.919 119.800 -0.356 0.000 2.299 514 Q HA 0.156 4.496 4.340 0.000 0.000 0.246 514 Q C 0.291 175.981 176.000 -0.516 0.000 0.935 514 Q CA 0.033 55.585 55.803 -0.418 0.000 0.887 514 Q CB 0.816 29.244 28.738 -0.518 0.000 1.223 514 Q HN 0.159 nan 8.270 nan 0.000 0.439 515 T N -0.843 113.357 114.554 -0.590 0.000 2.856 515 T HA 0.107 4.457 4.350 0.000 0.000 0.306 515 T C -1.697 172.432 174.700 -0.953 0.000 1.062 515 T CA -1.361 60.108 62.100 -1.052 0.000 1.083 515 T CB 0.031 68.567 68.868 -0.554 0.000 0.984 515 T HN 0.293 nan 8.240 nan 0.000 0.542 516 P HA -0.141 nan 4.420 nan 0.000 0.218 516 P C 1.244 178.323 177.300 -0.369 0.000 1.146 516 P CA 1.113 63.808 63.100 -0.675 0.000 0.820 516 P CB 0.005 31.420 31.700 -0.476 0.000 0.778 517 E N -0.643 119.368 120.200 -0.314 0.000 2.070 517 E HA -0.115 4.235 4.350 0.000 0.000 0.197 517 E C 0.346 176.843 176.600 -0.172 0.000 1.004 517 E CA 0.712 56.996 56.400 -0.192 0.000 0.805 517 E CB -0.593 29.013 29.700 -0.156 0.000 0.744 517 E HN 0.045 nan 8.360 nan 0.000 0.451 518 V N 2.745 122.529 119.914 -0.216 0.000 2.425 518 V HA -0.018 4.102 4.120 0.000 0.000 0.276 518 V C 0.254 176.255 176.094 -0.154 0.000 1.017 518 V CA -0.202 62.003 62.300 -0.160 0.000 1.062 518 V CB 0.456 32.177 31.823 -0.171 0.000 0.997 518 V HN 0.139 nan 8.190 nan 0.000 0.476 519 E N 5.381 125.532 120.200 -0.083 0.000 2.498 519 E HA 0.022 4.372 4.350 0.000 0.000 0.252 519 E C 0.563 177.138 176.600 -0.043 0.000 1.025 519 E CA 0.455 56.824 56.400 -0.052 0.000 0.938 519 E CB 0.399 30.092 29.700 -0.012 0.000 0.947 519 E HN 0.738 nan 8.360 nan 0.000 0.478 520 K N 2.268 122.635 120.400 -0.055 0.000 2.517 520 K HA 0.176 4.496 4.320 0.000 0.000 0.210 520 K C -0.423 176.256 176.600 0.132 0.000 1.166 520 K CA -0.376 55.891 56.287 -0.034 0.000 1.030 520 K CB 0.416 32.671 32.500 -0.408 0.000 0.974 520 K HN 0.302 nan 8.250 nan 0.000 0.585 521 D N 2.107 122.558 120.400 0.085 0.000 2.363 521 D HA 0.035 4.675 4.640 0.000 0.000 0.263 521 D C 1.127 177.428 176.300 0.001 0.000 1.258 521 D CA 0.029 54.075 54.000 0.076 0.000 0.907 521 D CB 0.557 41.399 40.800 0.070 0.000 1.107 521 D HN 0.040 nan 8.370 nan 0.000 0.495 522 L N 3.417 124.545 121.223 -0.159 0.000 1.991 522 L HA -0.267 4.073 4.340 0.000 0.000 0.221 522 L C 2.228 179.088 176.870 -0.015 0.000 1.079 522 L CA 1.564 56.203 54.840 -0.336 0.000 0.778 522 L CB -0.518 40.996 42.059 -0.908 0.000 0.893 522 L HN 0.622 nan 8.230 nan 0.000 0.437 523 E N 0.252 120.491 120.200 0.066 0.000 2.055 523 E HA -0.306 4.044 4.350 0.000 0.000 0.209 523 E C 2.109 178.763 176.600 0.091 0.000 1.036 523 E CA 1.751 58.220 56.400 0.114 0.000 0.849 523 E CB -0.271 29.489 29.700 0.101 0.000 0.767 523 E HN 0.490 nan 8.360 nan 0.000 0.461 524 K N 0.340 120.781 120.400 0.068 0.000 2.360 524 K HA -0.071 4.249 4.320 0.000 0.000 0.201 524 K C 2.075 178.716 176.600 0.068 0.000 1.046 524 K CA 0.550 56.871 56.287 0.057 0.000 0.945 524 K CB -0.031 32.496 32.500 0.045 0.000 0.750 524 K HN 0.153 nan 8.250 nan 0.000 0.464 525 L N -1.183 120.097 121.223 0.096 0.000 2.509 525 L HA 0.055 4.395 4.340 0.000 0.000 0.222 525 L C 1.416 178.391 176.870 0.174 0.000 1.123 525 L CA 0.608 55.529 54.840 0.135 0.000 0.856 525 L CB 0.344 42.494 42.059 0.152 0.000 0.985 525 L HN 0.444 nan 8.230 nan 0.000 0.456 526 G N -2.048 106.851 108.800 0.165 0.000 2.813 526 G HA2 -0.172 3.788 3.960 0.000 0.000 0.194 526 G HA3 -0.172 3.788 3.960 0.000 0.000 0.194 526 G C -0.359 174.550 174.900 0.015 0.000 1.010 526 G CA -0.716 44.414 45.100 0.050 0.000 0.771 526 G HN 0.087 nan 8.290 nan 0.000 0.485 527 W N 1.626 122.882 121.300 -0.074 0.000 2.183 527 W HA 0.695 5.355 4.660 0.000 0.000 0.348 527 W C 0.322 176.834 176.519 -0.011 0.000 1.257 527 W CA -0.096 57.215 57.345 -0.057 0.000 1.324 527 W CB 0.341 29.743 29.460 -0.096 0.000 1.144 527 W HN -0.036 nan 8.180 nan 0.000 0.622 528 T N 2.276 116.971 114.554 0.234 0.000 2.788 528 T HA 0.165 4.515 4.350 0.000 0.000 0.296 528 T C -0.276 174.443 174.700 0.031 0.000 1.009 528 T CA -0.878 61.279 62.100 0.095 0.000 0.949 528 T CB 0.448 69.326 68.868 0.017 0.000 0.946 528 T HN 0.229 nan 8.240 nan 0.000 0.453 529 K N 5.148 125.536 120.400 -0.021 0.000 2.339 529 K HA 0.330 4.650 4.320 0.000 0.000 0.286 529 K C -0.804 175.660 176.600 -0.226 0.000 1.050 529 K CA -0.216 55.902 56.287 -0.281 0.000 0.956 529 K CB 0.330 32.713 32.500 -0.194 0.000 0.990 529 K HN 0.586 nan 8.250 nan 0.000 0.475 530 I N 5.804 126.197 120.570 -0.296 0.000 2.420 530 I HA 0.230 4.400 4.170 0.000 0.000 0.282 530 I C -0.531 175.469 176.117 -0.194 0.000 1.019 530 I CA -0.706 60.482 61.300 -0.187 0.000 1.130 530 I CB 1.425 39.340 38.000 -0.142 0.000 1.262 530 I HN 0.605 nan 8.210 nan 0.000 0.454 531 K N 5.479 125.790 120.400 -0.149 0.000 2.482 531 K HA 0.656 4.976 4.320 0.000 0.000 0.251 531 K C -1.096 175.448 176.600 -0.093 0.000 0.936 531 K CA -0.313 55.897 56.287 -0.128 0.000 0.791 531 K CB 2.483 34.899 32.500 -0.140 0.000 1.213 531 K HN 0.587 nan 8.250 nan 0.000 0.428 532 T N 0.011 114.517 114.554 -0.079 0.000 2.912 532 T HA 0.749 5.099 4.350 0.000 0.000 0.288 532 T C 0.552 175.203 174.700 -0.081 0.000 1.030 532 T CA 0.019 62.077 62.100 -0.069 0.000 1.020 532 T CB 1.490 70.329 68.868 -0.048 0.000 1.056 532 T HN 1.085 nan 8.240 nan 0.000 0.480 533 G N 2.278 111.021 108.800 -0.095 0.000 2.752 533 G HA2 -0.189 3.771 3.960 0.000 0.000 0.234 533 G HA3 -0.189 3.771 3.960 0.000 0.000 0.234 533 G C -0.699 174.063 174.900 -0.229 0.000 1.367 533 G CA -0.622 44.396 45.100 -0.136 0.000 0.879 533 G HN 1.106 nan 8.290 nan 0.000 0.563 534 N N 0.872 119.334 118.700 -0.396 0.000 2.498 534 N HA 0.597 5.337 4.740 0.000 0.000 0.287 534 N C 0.483 175.751 175.510 -0.403 0.000 1.097 534 N CA 0.575 53.221 53.050 -0.672 0.000 0.973 534 N CB 1.665 39.155 38.487 -1.661 0.000 1.153 534 N HN 1.139 nan 8.380 nan 0.000 0.472 535 T N -1.831 112.570 114.554 -0.255 0.000 2.647 535 T HA 0.678 5.028 4.350 0.000 0.000 0.295 535 T C -0.715 174.026 174.700 0.069 0.000 1.126 535 T CA -0.884 61.197 62.100 -0.030 0.000 1.040 535 T CB 2.105 70.942 68.868 -0.052 0.000 1.472 535 T HN 0.446 nan 8.240 nan 0.000 0.500 536 M N 1.781 121.408 119.600 0.046 0.000 2.365 536 M HA 0.522 5.002 4.480 0.000 0.000 0.288 536 M C -1.889 174.380 176.300 -0.052 0.000 1.152 536 M CA -0.366 54.984 55.300 0.084 0.000 0.948 536 M CB 2.108 34.807 32.600 0.166 0.000 1.729 536 M HN 1.193 nan 8.290 nan 0.000 0.487 537 S N 4.782 120.465 115.700 -0.029 0.000 2.536 537 S HA 0.910 5.380 4.470 0.000 0.000 0.271 537 S C -1.313 173.195 174.600 -0.154 0.000 1.134 537 S CA -0.803 57.271 58.200 -0.210 0.000 0.897 537 S CB 1.990 65.114 63.200 -0.127 0.000 1.094 537 S HN 0.837 nan 8.310 nan 0.000 0.473 538 L N -0.889 120.115 121.223 -0.366 0.000 2.491 538 L HA 0.782 5.122 4.340 0.000 0.000 0.254 538 L C -1.755 175.011 176.870 -0.174 0.000 1.048 538 L CA -1.348 53.402 54.840 -0.150 0.000 0.855 538 L CB 0.654 42.650 42.059 -0.105 0.000 1.466 538 L HN 0.652 nan 8.230 nan 0.000 0.409 539 Y N 0.877 121.240 120.300 0.104 0.000 2.323 539 Y HA 0.637 5.187 4.550 0.000 0.000 0.331 539 Y C 1.286 177.197 175.900 0.018 0.000 1.092 539 Y CA 0.959 59.144 58.100 0.142 0.000 1.150 539 Y CB 1.524 40.084 38.460 0.167 0.000 1.200 539 Y HN 1.068 nan 8.280 nan 0.000 0.472 540 G N 3.146 112.060 108.800 0.190 0.000 2.627 540 G HA2 -0.357 3.603 3.960 0.000 0.000 0.312 540 G HA3 -0.357 3.603 3.960 0.000 0.000 0.312 540 G C -0.478 174.426 174.900 0.006 0.000 1.299 540 G CA 0.420 45.564 45.100 0.073 0.000 0.989 540 G HN 0.620 nan 8.290 nan 0.000 0.547 541 N N -0.200 118.499 118.700 -0.001 0.000 2.310 541 N HA 0.656 5.396 4.740 0.000 0.000 0.292 541 N C 0.926 176.408 175.510 -0.047 0.000 1.049 541 N CA 0.371 53.412 53.050 -0.016 0.000 0.849 541 N CB 1.729 40.223 38.487 0.011 0.000 1.532 541 N HN 0.925 nan 8.380 nan 0.000 0.479 542 A N 1.410 124.193 122.820 -0.062 0.000 1.897 542 A HA 0.144 4.464 4.320 0.000 0.000 0.215 542 A C 0.612 178.156 177.584 -0.066 0.000 1.181 542 A CA 1.608 53.586 52.037 -0.097 0.000 0.620 542 A CB -0.205 18.718 19.000 -0.129 0.000 0.821 542 A HN 0.768 nan 8.150 nan 0.000 0.443 543 S N -2.553 113.136 115.700 -0.019 0.000 2.595 543 S HA 0.530 5.000 4.470 0.000 0.000 0.270 543 S C -1.108 173.482 174.600 -0.017 0.000 1.145 543 S CA -0.187 57.996 58.200 -0.029 0.000 0.825 543 S CB 1.121 64.429 63.200 0.181 0.000 1.107 543 S HN 1.301 nan 8.310 nan 0.000 0.461 544 V N 0.029 119.872 119.914 -0.118 0.000 2.789 544 V HA 0.895 5.015 4.120 0.000 0.000 0.311 544 V C -0.991 175.060 176.094 -0.072 0.000 1.073 544 V CA -0.683 61.579 62.300 -0.063 0.000 0.921 544 V CB 1.531 33.288 31.823 -0.110 0.000 1.009 544 V HN 1.039 nan 8.190 nan 0.000 0.426 545 N N 3.645 122.398 118.700 0.087 0.000 2.480 545 N HA 0.575 5.315 4.740 0.000 0.000 0.289 545 N C -2.334 173.276 175.510 0.167 0.000 1.073 545 N CA -2.039 51.126 53.050 0.192 0.000 0.885 545 N CB 3.005 41.741 38.487 0.414 0.000 1.421 545 N HN 0.271 nan 8.380 nan 0.000 0.503 546 P HA 0.099 nan 4.420 nan 0.000 0.218 546 P C -0.107 177.318 177.300 0.207 0.000 1.148 546 P CA 1.200 64.444 63.100 0.239 0.000 0.822 546 P CB -0.021 31.689 31.700 0.018 0.000 0.784 547 G N -2.546 106.342 108.800 0.147 0.000 2.539 547 G HA2 -0.076 3.884 3.960 0.000 0.000 0.686 547 G HA3 -0.076 3.884 3.960 0.000 0.000 0.686 547 G C -2.652 172.302 174.900 0.091 0.000 1.258 547 G CA -0.507 44.663 45.100 0.116 0.000 0.846 547 G HN -0.200 nan 8.290 nan 0.000 0.647 548 P HA 0.044 nan 4.420 nan 0.000 0.212 548 P C 1.866 179.220 177.300 0.090 0.000 1.180 548 P CA 2.232 65.397 63.100 0.108 0.000 0.906 548 P CB -0.065 31.708 31.700 0.122 0.000 0.782 549 G N -1.190 107.647 108.800 0.061 0.000 2.580 549 G HA2 0.192 4.152 3.960 0.000 0.000 0.225 549 G HA3 0.192 4.152 3.960 0.000 0.000 0.225 549 G C -0.420 174.547 174.900 0.113 0.000 1.521 549 G CA -0.005 45.147 45.100 0.087 0.000 1.068 549 G HN 0.360 nan 8.290 nan 0.000 0.564 550 H N -2.611 116.540 119.070 0.135 0.000 2.559 550 H HA 0.710 5.266 4.556 0.000 0.000 0.343 550 H C 0.380 175.813 175.328 0.174 0.000 1.209 550 H CA -0.488 55.649 56.048 0.148 0.000 1.287 550 H CB 1.226 31.129 29.762 0.235 0.000 1.650 550 H HN 0.672 nan 8.280 nan 0.000 0.567 551 G N -0.358 108.627 108.800 0.309 0.000 2.667 551 G HA2 0.528 4.488 3.960 0.000 0.000 0.310 551 G HA3 0.528 4.488 3.960 0.000 0.000 0.310 551 G C -0.482 174.670 174.900 0.420 0.000 1.259 551 G CA -0.844 44.434 45.100 0.296 0.000 1.019 551 G HN 0.935 nan 8.290 nan 0.000 0.496 552 I N -3.341 117.433 120.570 0.340 0.000 3.436 552 I HA 0.858 5.028 4.170 0.000 0.000 0.300 552 I C -0.773 175.487 176.117 0.238 0.000 1.131 552 I CA -0.970 60.517 61.300 0.313 0.000 1.001 552 I CB 2.259 40.413 38.000 0.257 0.000 1.305 552 I HN 0.342 nan 8.210 nan 0.000 0.494 553 T N 2.898 117.561 114.554 0.182 0.000 2.928 553 T HA 0.541 4.891 4.350 0.000 0.000 0.296 553 T C -0.425 174.327 174.700 0.087 0.000 1.000 553 T CA -0.484 61.684 62.100 0.114 0.000 0.989 553 T CB 1.516 70.427 68.868 0.072 0.000 1.005 553 T HN 0.385 nan 8.240 nan 0.000 0.442 554 L N 2.787 124.046 121.223 0.060 0.000 2.350 554 L HA 0.536 4.876 4.340 0.000 0.000 0.275 554 L C 1.272 178.151 176.870 0.014 0.000 1.099 554 L CA -0.608 54.252 54.840 0.034 0.000 0.808 554 L CB 0.746 42.814 42.059 0.016 0.000 1.149 554 L HN 0.872 nan 8.230 nan 0.000 0.442 555 T N -2.443 112.114 114.554 0.006 0.000 3.041 555 T HA 0.184 4.535 4.350 0.000 0.000 0.276 555 T C 0.986 175.680 174.700 -0.010 0.000 0.948 555 T CA -0.389 61.710 62.100 -0.001 0.000 0.885 555 T CB 0.192 69.062 68.868 0.003 0.000 1.175 555 T HN 0.498 nan 8.240 nan 0.000 0.529 556 R N 1.344 121.835 120.500 -0.015 0.000 2.791 556 R HA 0.340 4.680 4.340 0.000 0.000 0.357 556 R C 0.877 177.161 176.300 -0.028 0.000 1.173 556 R CA -0.197 55.891 56.100 -0.020 0.000 1.060 556 R CB 0.283 30.568 30.300 -0.025 0.000 1.406 556 R HN 0.162 nan 8.270 nan 0.000 0.580 557 Q N 0.565 120.347 119.800 -0.030 0.000 2.360 557 Q HA -0.069 4.271 4.340 0.000 0.000 0.202 557 Q C 1.556 177.535 176.000 -0.036 0.000 0.915 557 Q CA 0.311 56.090 55.803 -0.041 0.000 0.943 557 Q CB 0.631 29.342 28.738 -0.046 0.000 1.064 557 Q HN 0.555 nan 8.270 nan 0.000 0.511 558 Q N 0.260 120.044 119.800 -0.027 0.000 2.226 558 Q HA -0.122 4.219 4.340 0.000 0.000 0.204 558 Q C 0.168 176.155 176.000 -0.023 0.000 0.975 558 Q CA 1.326 57.116 55.803 -0.022 0.000 0.866 558 Q CB -0.022 28.706 28.738 -0.016 0.000 0.915 558 Q HN 0.085 nan 8.270 nan 0.000 0.440 559 N N 0.168 118.853 118.700 -0.025 0.000 2.389 559 N HA 0.385 5.125 4.740 0.000 0.000 0.260 559 N C -1.268 174.221 175.510 -0.034 0.000 1.191 559 N CA -0.019 53.016 53.050 -0.025 0.000 0.885 559 N CB 0.819 39.295 38.487 -0.019 0.000 1.162 559 N HN 0.228 nan 8.380 nan 0.000 0.512 560 I N 0.273 120.817 120.570 -0.044 0.000 2.474 560 I HA 0.269 4.439 4.170 0.000 0.000 0.294 560 I C -0.193 175.890 176.117 -0.056 0.000 1.005 560 I CA -0.765 60.498 61.300 -0.062 0.000 1.113 560 I CB 1.767 39.717 38.000 -0.083 0.000 1.289 560 I HN -0.060 nan 8.210 nan 0.000 0.436 561 S N 4.082 119.748 115.700 -0.057 0.000 2.488 561 S HA 0.310 4.780 4.470 0.000 0.000 0.278 561 S C 1.065 175.643 174.600 -0.037 0.000 1.259 561 S CA 0.172 58.351 58.200 -0.034 0.000 1.061 561 S CB 0.895 64.089 63.200 -0.010 0.000 0.910 561 S HN 1.122 nan 8.310 nan 0.000 0.491 562 G N 2.275 111.062 108.800 -0.022 0.000 2.189 562 G HA2 -0.287 3.673 3.960 0.000 0.000 0.267 562 G HA3 -0.287 3.673 3.960 0.000 0.000 0.267 562 G C 0.277 175.154 174.900 -0.038 0.000 0.975 562 G CA 0.511 45.602 45.100 -0.015 0.000 0.644 562 G HN 0.786 nan 8.290 nan 0.000 0.537 563 S N -0.492 115.169 115.700 -0.064 0.000 2.745 563 S HA 0.778 5.248 4.470 0.000 0.000 0.292 563 S C 0.097 174.668 174.600 -0.049 0.000 1.133 563 S CA 0.430 58.581 58.200 -0.081 0.000 0.998 563 S CB 1.173 64.301 63.200 -0.119 0.000 1.087 563 S HN 0.917 nan 8.310 nan 0.000 0.551 564 Q N 1.103 120.878 119.800 -0.041 0.000 2.501 564 Q HA 0.549 4.889 4.340 0.000 0.000 0.288 564 Q C -1.462 174.524 176.000 -0.024 0.000 1.051 564 Q CA -1.171 54.616 55.803 -0.026 0.000 0.788 564 Q CB 0.618 29.347 28.738 -0.016 0.000 1.469 564 Q HN 0.417 nan 8.270 nan 0.000 0.416 565 N N -0.117 118.570 118.700 -0.021 0.000 2.520 565 N HA 0.372 5.112 4.740 0.000 0.000 0.273 565 N C 0.526 176.025 175.510 -0.019 0.000 1.155 565 N CA 1.422 54.461 53.050 -0.018 0.000 0.967 565 N CB 1.270 39.746 38.487 -0.017 0.000 1.092 565 N HN 0.991 nan 8.380 nan 0.000 0.457 566 G N 1.041 109.831 108.800 -0.016 0.000 2.176 566 G HA2 -0.265 3.695 3.960 0.000 0.000 0.232 566 G HA3 -0.265 3.695 3.960 0.000 0.000 0.232 566 G C 0.276 175.164 174.900 -0.020 0.000 0.986 566 G CA -0.087 44.998 45.100 -0.024 0.000 0.643 566 G HN 0.682 nan 8.290 nan 0.000 0.522 567 R N 0.488 120.989 120.500 0.001 0.000 2.449 567 R HA 0.495 4.835 4.340 0.000 0.000 0.296 567 R C 0.172 176.507 176.300 0.058 0.000 1.047 567 R CA -0.329 55.787 56.100 0.026 0.000 1.018 567 R CB 0.082 30.406 30.300 0.040 0.000 0.962 567 R HN 0.233 nan 8.270 nan 0.000 0.428 568 L N 6.766 128.019 121.223 0.050 0.000 2.265 568 L HA 0.442 4.782 4.340 0.000 0.000 0.288 568 L C 0.020 177.067 176.870 0.295 0.000 1.058 568 L CA -0.257 54.664 54.840 0.134 0.000 0.809 568 L CB 1.025 43.112 42.059 0.047 0.000 1.179 568 L HN 0.665 nan 8.230 nan 0.000 0.429 569 I N 3.989 124.762 120.570 0.339 0.000 2.894 569 I HA 0.530 4.700 4.170 0.000 0.000 0.302 569 I C -1.702 174.674 176.117 0.433 0.000 1.188 569 I CA -0.679 60.844 61.300 0.372 0.000 1.014 569 I CB 2.441 40.589 38.000 0.248 0.000 1.242 569 I HN 0.573 nan 8.210 nan 0.000 0.430 570 Y N 4.642 125.084 120.300 0.236 0.000 2.474 570 Y HA 0.600 5.150 4.550 0.000 0.000 0.326 570 Y C -3.070 172.903 175.900 0.122 0.000 1.160 570 Y CA -2.335 55.858 58.100 0.155 0.000 1.056 570 Y CB 1.128 39.660 38.460 0.119 0.000 1.330 570 Y HN 0.227 nan 8.280 nan 0.000 0.447 571 P HA 0.385 nan 4.420 nan 0.000 0.284 571 P C -0.513 176.829 177.300 0.070 0.000 1.343 571 P CA 0.417 63.531 63.100 0.023 0.000 0.826 571 P CB 1.033 32.703 31.700 -0.050 0.000 0.956 572 A N 5.006 127.832 122.820 0.011 0.000 2.269 572 A HA 0.636 4.956 4.320 0.000 0.000 0.319 572 A C 0.132 177.733 177.584 0.028 0.000 1.110 572 A CA -0.959 51.126 52.037 0.080 0.000 0.847 572 A CB 0.455 19.491 19.000 0.061 0.000 1.161 572 A HN 0.501 nan 8.150 nan 0.000 0.497 573 I N 1.408 122.019 120.570 0.068 0.000 2.315 573 I HA 0.334 4.504 4.170 0.000 0.000 0.291 573 I C -0.645 175.519 176.117 0.078 0.000 1.006 573 I CA -0.574 60.763 61.300 0.062 0.000 1.265 573 I CB 1.385 39.443 38.000 0.097 0.000 1.387 573 I HN 0.308 nan 8.210 nan 0.000 0.475 574 V N 6.428 126.375 119.914 0.056 0.000 2.427 574 V HA 0.404 4.525 4.120 0.000 0.000 0.286 574 V C -0.306 175.838 176.094 0.085 0.000 1.034 574 V CA -0.797 61.541 62.300 0.063 0.000 0.893 574 V CB 1.693 33.545 31.823 0.050 0.000 0.982 574 V HN 0.497 nan 8.190 nan 0.000 0.452 575 L N 4.534 125.810 121.223 0.087 0.000 2.295 575 L HA 0.529 4.869 4.340 0.000 0.000 0.281 575 L C 0.911 177.800 176.870 0.032 0.000 1.018 575 L CA -0.038 54.847 54.840 0.076 0.000 0.841 575 L CB 0.936 43.048 42.059 0.088 0.000 1.218 575 L HN 0.776 nan 8.230 nan 0.000 0.424 576 D N 3.109 123.534 120.400 0.041 0.000 2.084 576 D HA -0.142 4.498 4.640 0.000 0.000 0.196 576 D C 1.560 177.811 176.300 -0.082 0.000 0.985 576 D CA 1.532 55.534 54.000 0.004 0.000 0.826 576 D CB 0.181 41.004 40.800 0.039 0.000 0.978 576 D HN 0.615 nan 8.370 nan 0.000 0.456 577 R N -3.143 117.273 120.500 -0.139 0.000 4.061 577 R HA 0.166 4.506 4.340 0.000 0.000 0.064 577 R C 0.747 176.738 176.300 -0.515 0.000 0.748 577 R CA -0.067 55.793 56.100 -0.399 0.000 2.017 577 R CB -0.229 29.760 30.300 -0.518 0.000 1.493 577 R HN 0.117 nan 8.270 nan 0.000 0.437 578 F N -0.510 119.358 119.950 -0.136 0.000 2.667 578 F HA 0.459 4.986 4.527 0.000 0.000 0.288 578 F C 0.044 175.513 175.800 -0.553 0.000 1.086 578 F CA -0.092 57.678 58.000 -0.383 0.000 1.297 578 F CB 0.543 39.241 39.000 -0.503 0.000 1.059 578 F HN -0.169 nan 8.300 nan 0.000 0.624 579 F N 0.961 121.004 119.950 0.155 0.000 2.450 579 F HA 0.556 5.083 4.527 0.000 0.000 0.332 579 F C -0.174 175.677 175.800 0.085 0.000 1.093 579 F CA -1.132 56.929 58.000 0.103 0.000 1.003 579 F CB 1.071 40.130 39.000 0.097 0.000 1.151 579 F HN -0.396 nan 8.300 nan 0.000 0.474 580 L N 3.142 124.544 121.223 0.298 0.000 2.325 580 L HA 0.512 4.852 4.340 0.000 0.000 0.279 580 L C -0.047 176.917 176.870 0.156 0.000 1.054 580 L CA -0.397 54.563 54.840 0.200 0.000 0.804 580 L CB 1.281 43.467 42.059 0.212 0.000 1.200 580 L HN 0.652 nan 8.230 nan 0.000 0.436 581 N N 0.719 119.469 118.700 0.082 0.000 3.277 581 N HA 0.575 5.315 4.740 0.000 0.000 0.278 581 N C -1.867 173.614 175.510 -0.050 0.000 1.544 581 N CA -0.339 52.711 53.050 -0.000 0.000 0.869 581 N CB 2.124 40.615 38.487 0.006 0.000 1.584 581 N HN 0.191 nan 8.380 nan 0.000 0.564 582 V N 1.373 121.197 119.914 -0.150 0.000 2.823 582 V HA 0.701 4.821 4.120 0.000 0.000 0.312 582 V C -0.118 175.863 176.094 -0.190 0.000 1.072 582 V CA -0.641 61.552 62.300 -0.178 0.000 0.937 582 V CB 1.735 33.390 31.823 -0.279 0.000 1.013 582 V HN 0.790 nan 8.190 nan 0.000 0.430 583 M N 1.273 120.804 119.600 -0.115 0.000 2.622 583 M HA 0.731 5.211 4.480 0.000 0.000 0.276 583 M C -0.943 175.350 176.300 -0.011 0.000 1.265 583 M CA -0.507 54.766 55.300 -0.044 0.000 0.850 583 M CB 2.345 34.949 32.600 0.006 0.000 1.720 583 M HN 0.350 nan 8.290 nan 0.000 0.465 584 S N 1.477 117.240 115.700 0.106 0.000 2.586 584 S HA 0.674 5.144 4.470 0.000 0.000 0.274 584 S C -0.434 174.208 174.600 0.069 0.000 1.281 584 S CA -0.648 57.617 58.200 0.109 0.000 1.035 584 S CB 0.684 64.028 63.200 0.241 0.000 0.962 584 S HN 0.535 nan 8.310 nan 0.000 0.512 585 I N 3.589 124.076 120.570 -0.138 0.000 2.439 585 I HA 0.372 4.542 4.170 0.000 0.000 0.283 585 I C -1.207 174.950 176.117 0.068 0.000 1.023 585 I CA -0.685 60.508 61.300 -0.178 0.000 1.100 585 I CB 1.077 38.699 38.000 -0.630 0.000 1.238 585 I HN 0.730 nan 8.210 nan 0.000 0.445 586 Y N 3.305 123.721 120.300 0.193 0.000 2.634 586 Y HA 0.768 5.318 4.550 0.000 0.000 0.340 586 Y C -0.771 175.194 175.900 0.109 0.000 1.058 586 Y CA -1.747 56.496 58.100 0.238 0.000 1.081 586 Y CB 1.452 39.965 38.460 0.088 0.000 1.295 586 Y HN 0.255 nan 8.280 nan 0.000 0.487 587 S N 0.994 116.611 115.700 -0.138 0.000 2.733 587 S HA 0.255 4.725 4.470 0.000 0.000 0.294 587 S C -1.049 173.434 174.600 -0.195 0.000 1.149 587 S CA -0.701 57.192 58.200 -0.512 0.000 1.034 587 S CB 0.833 63.316 63.200 -1.196 0.000 1.015 587 S HN 0.701 nan 8.310 nan 0.000 0.486 588 D N 1.231 121.563 120.400 -0.114 0.000 2.369 588 D HA 0.081 4.721 4.640 0.000 0.000 0.211 588 D C 0.570 176.804 176.300 -0.111 0.000 1.077 588 D CA 0.204 54.176 54.000 -0.045 0.000 0.842 588 D CB 0.401 41.218 40.800 0.028 0.000 0.947 588 D HN 0.418 nan 8.370 nan 0.000 0.509 589 D N -0.578 119.700 120.400 -0.202 0.000 2.349 589 D HA 0.136 4.776 4.640 0.000 0.000 0.214 589 D C 1.584 177.760 176.300 -0.206 0.000 1.063 589 D CA 0.519 54.403 54.000 -0.193 0.000 0.847 589 D CB 0.334 40.991 40.800 -0.238 0.000 0.933 589 D HN 0.182 nan 8.370 nan 0.000 0.513 590 G N -0.624 108.034 108.800 -0.236 0.000 2.176 590 G HA2 -0.207 3.753 3.960 0.000 0.000 0.253 590 G HA3 -0.207 3.753 3.960 0.000 0.000 0.253 590 G C 1.130 175.850 174.900 -0.300 0.000 0.979 590 G CA 0.330 45.303 45.100 -0.210 0.000 0.641 590 G HN 1.022 nan 8.290 nan 0.000 0.530 591 G N -1.551 106.947 108.800 -0.504 0.000 2.336 591 G HA2 0.005 3.965 3.960 0.000 0.000 0.194 591 G HA3 0.005 3.965 3.960 0.000 0.000 0.194 591 G C 1.465 176.063 174.900 -0.504 0.000 0.999 591 G CA 1.189 45.883 45.100 -0.676 0.000 0.669 591 G HN 1.729 nan 8.290 nan 0.000 0.482 592 S N 0.400 115.939 115.700 -0.268 0.000 2.406 592 S HA 0.122 4.592 4.470 0.000 0.000 0.228 592 S C 0.743 175.302 174.600 -0.067 0.000 1.020 592 S CA 0.802 58.974 58.200 -0.046 0.000 0.965 592 S CB 0.120 63.312 63.200 -0.014 0.000 0.798 592 S HN 0.527 nan 8.310 nan 0.000 0.488 593 N N 0.133 118.656 118.700 -0.296 0.000 2.296 593 N HA 0.398 5.138 4.740 0.000 0.000 0.294 593 N C -1.840 173.436 175.510 -0.390 0.000 1.033 593 N CA -0.346 52.590 53.050 -0.189 0.000 0.839 593 N CB 1.521 39.936 38.487 -0.121 0.000 1.395 593 N HN 0.265 nan 8.380 nan 0.000 0.479 594 W N 0.884 122.126 121.300 -0.098 0.000 2.689 594 W HA 0.434 5.094 4.660 0.000 0.000 0.340 594 W C 0.394 176.750 176.519 -0.272 0.000 1.060 594 W CA -0.566 56.672 57.345 -0.177 0.000 1.218 594 W CB 1.214 30.610 29.460 -0.106 0.000 1.410 594 W HN 0.151 nan 8.180 nan 0.000 0.528 595 Q N 0.715 120.362 119.800 -0.254 0.000 2.486 595 Q HA 0.730 5.070 4.340 0.000 0.000 0.274 595 Q C -1.041 174.797 176.000 -0.271 0.000 1.076 595 Q CA -0.980 54.550 55.803 -0.455 0.000 0.872 595 Q CB 1.875 29.963 28.738 -1.084 0.000 1.383 595 Q HN 0.318 nan 8.270 nan 0.000 0.478 596 T N -0.109 114.426 114.554 -0.031 0.000 2.952 596 T HA 0.611 4.961 4.350 0.000 0.000 0.305 596 T C -0.563 174.309 174.700 0.287 0.000 1.064 596 T CA -0.464 61.718 62.100 0.136 0.000 1.008 596 T CB 1.716 70.633 68.868 0.081 0.000 1.078 596 T HN 0.697 nan 8.240 nan 0.000 0.459 597 G N 1.338 110.308 108.800 0.283 0.000 2.613 597 G HA2 0.608 4.568 3.960 0.000 0.000 0.303 597 G HA3 0.608 4.568 3.960 0.000 0.000 0.303 597 G C -0.080 174.878 174.900 0.096 0.000 1.312 597 G CA -0.549 44.670 45.100 0.197 0.000 1.036 597 G HN 0.706 nan 8.290 nan 0.000 0.513 598 S N -1.044 114.666 115.700 0.017 0.000 2.617 598 S HA 0.456 4.926 4.470 0.000 0.000 0.259 598 S C 0.900 175.505 174.600 0.009 0.000 1.301 598 S CA -0.058 58.093 58.200 -0.081 0.000 0.984 598 S CB 0.852 63.839 63.200 -0.355 0.000 0.954 598 S HN 0.953 nan 8.310 nan 0.000 0.572 599 T N -0.496 114.044 114.554 -0.023 0.000 2.927 599 T HA 0.544 4.895 4.350 0.000 0.000 0.281 599 T C 0.117 174.781 174.700 -0.059 0.000 0.998 599 T CA -0.998 61.083 62.100 -0.032 0.000 1.019 599 T CB 0.096 68.961 68.868 -0.004 0.000 1.061 599 T HN 0.369 nan 8.240 nan 0.000 0.518 600 L N 2.309 123.418 121.223 -0.189 0.000 2.490 600 L HA 0.269 4.609 4.340 0.000 0.000 0.274 600 L C -1.843 174.959 176.870 -0.113 0.000 1.201 600 L CA -1.702 52.970 54.840 -0.280 0.000 0.869 600 L CB -0.100 41.561 42.059 -0.664 0.000 1.123 600 L HN 0.515 nan 8.230 nan 0.000 0.484 601 P HA 0.246 nan 4.420 nan 0.000 0.281 601 P C -0.776 176.531 177.300 0.013 0.000 1.286 601 P CA -0.069 63.030 63.100 -0.003 0.000 0.772 601 P CB 0.494 32.229 31.700 0.059 0.000 0.862 602 I N 3.260 123.781 120.570 -0.082 0.000 2.441 602 I HA 0.500 4.670 4.170 0.000 0.000 0.295 602 I C -2.224 173.826 176.117 -0.111 0.000 0.994 602 I CA -3.229 58.016 61.300 -0.092 0.000 1.144 602 I CB 1.757 39.690 38.000 -0.112 0.000 1.314 602 I HN 0.079 nan 8.210 nan 0.000 0.445 603 P HA 0.221 nan 4.420 nan 0.000 0.276 603 P C -0.958 176.309 177.300 -0.054 0.000 1.253 603 P CA 0.125 63.182 63.100 -0.072 0.000 0.766 603 P CB 0.324 31.973 31.700 -0.086 0.000 0.845 604 F N 2.125 121.937 119.950 -0.230 0.000 2.541 604 F HA 0.869 5.396 4.527 0.000 0.000 0.331 604 F C -0.341 175.353 175.800 -0.178 0.000 1.057 604 F CA -1.349 56.501 58.000 -0.250 0.000 0.975 604 F CB 1.761 40.593 39.000 -0.281 0.000 1.246 604 F HN 0.202 nan 8.300 nan 0.000 0.484 605 R N 2.138 122.417 120.500 -0.367 0.000 2.579 605 R HA 0.176 4.516 4.340 0.000 0.000 0.260 605 R C -2.694 173.483 176.300 -0.205 0.000 1.103 605 R CA -0.591 55.317 56.100 -0.319 0.000 0.942 605 R CB 1.030 31.216 30.300 -0.190 0.000 1.251 605 R HN 0.953 nan 8.270 nan 0.000 0.450 606 W N 5.380 126.681 121.300 0.003 0.000 2.311 606 W HA 0.427 5.087 4.660 0.000 0.000 0.317 606 W C 1.301 177.836 176.519 0.028 0.000 1.065 606 W CA -0.466 56.914 57.345 0.059 0.000 1.364 606 W CB 1.275 30.789 29.460 0.090 0.000 1.233 606 W HN 0.499 nan 8.180 nan 0.000 0.409 607 K N 1.612 122.126 120.400 0.190 0.000 2.283 607 K HA -0.058 4.263 4.320 0.000 0.000 0.202 607 K C 0.686 177.372 176.600 0.144 0.000 1.048 607 K CA 1.043 57.405 56.287 0.124 0.000 0.948 607 K CB 0.252 32.799 32.500 0.080 0.000 0.742 607 K HN 0.507 nan 8.250 nan 0.000 0.458 608 S N -1.913 113.913 115.700 0.211 0.000 2.656 608 S HA 0.151 4.621 4.470 0.000 0.000 0.265 608 S C -1.120 173.605 174.600 0.210 0.000 1.132 608 S CA -1.106 57.191 58.200 0.162 0.000 0.819 608 S CB 1.103 64.369 63.200 0.110 0.000 1.119 608 S HN -0.055 nan 8.310 nan 0.000 0.476 609 S N 1.812 117.576 115.700 0.107 0.000 2.515 609 S HA 0.464 4.934 4.470 0.000 0.000 0.285 609 S C 0.510 175.180 174.600 0.117 0.000 1.265 609 S CA 0.353 58.583 58.200 0.049 0.000 1.079 609 S CB 0.077 63.274 63.200 -0.006 0.000 0.877 609 S HN 1.552 nan 8.310 nan 0.000 0.493 610 S N 0.914 116.719 115.700 0.175 0.000 3.482 610 S HA -0.119 4.352 4.470 0.000 0.000 0.294 610 S C -0.259 174.531 174.600 0.316 0.000 1.244 610 S CA 0.285 58.639 58.200 0.257 0.000 0.911 610 S CB -1.050 62.219 63.200 0.114 0.000 1.070 610 S HN 0.658 nan 8.310 nan 0.000 0.614 611 I N 1.563 122.393 120.570 0.434 0.000 2.641 611 I HA 0.421 4.591 4.170 0.000 0.000 0.275 611 I C -0.312 175.937 176.117 0.220 0.000 1.129 611 I CA -0.510 60.950 61.300 0.266 0.000 1.094 611 I CB 1.199 39.299 38.000 0.167 0.000 1.232 611 I HN 0.267 nan 8.210 nan 0.000 0.503 612 L N 5.653 126.874 121.223 -0.004 0.000 2.312 612 L HA 0.436 4.776 4.340 0.000 0.000 0.281 612 L C 0.303 177.034 176.870 -0.231 0.000 1.070 612 L CA 0.279 54.854 54.840 -0.442 0.000 0.805 612 L CB 1.014 42.506 42.059 -0.945 0.000 1.174 612 L HN 0.506 nan 8.230 nan 0.000 0.434 613 E N 3.573 123.613 120.200 -0.266 0.000 2.145 613 E HA 0.513 4.863 4.350 0.000 0.000 0.262 613 E C -1.426 175.063 176.600 -0.186 0.000 0.883 613 E CA -0.330 55.983 56.400 -0.146 0.000 0.748 613 E CB 0.883 30.539 29.700 -0.073 0.000 1.140 613 E HN 0.801 nan 8.360 nan 0.000 0.417 614 T N 0.857 115.302 114.554 -0.182 0.000 2.731 614 T HA 0.476 4.827 4.350 0.000 0.000 0.300 614 T C -0.094 174.538 174.700 -0.114 0.000 1.283 614 T CA -0.853 61.132 62.100 -0.192 0.000 1.005 614 T CB 0.762 69.445 68.868 -0.308 0.000 1.420 614 T HN 0.285 nan 8.240 nan 0.000 0.503 615 L N 0.260 121.405 121.223 -0.130 0.000 2.448 615 L HA 0.637 4.977 4.340 0.000 0.000 0.258 615 L C 0.327 177.216 176.870 0.031 0.000 1.104 615 L CA -0.805 54.000 54.840 -0.059 0.000 0.800 615 L CB 0.645 42.617 42.059 -0.144 0.000 1.241 615 L HN 0.752 nan 8.230 nan 0.000 0.472 616 E N 0.999 121.256 120.200 0.095 0.000 2.761 616 E HA 0.249 4.599 4.350 0.000 0.000 0.266 616 E C -2.525 174.127 176.600 0.086 0.000 1.097 616 E CA -1.684 54.810 56.400 0.157 0.000 0.773 616 E CB 1.487 31.387 29.700 0.334 0.000 1.453 616 E HN 0.221 nan 8.360 nan 0.000 0.388 617 P HA -0.028 nan 4.420 nan 0.000 0.271 617 P C 0.105 177.386 177.300 -0.032 0.000 1.226 617 P CA 0.407 63.491 63.100 -0.025 0.000 0.765 617 P CB 1.252 32.862 31.700 -0.150 0.000 0.835 618 S N 2.195 117.877 115.700 -0.030 0.000 3.375 618 S HA 0.214 4.685 4.470 0.000 0.000 0.178 618 S C -0.012 174.568 174.600 -0.034 0.000 0.868 618 S CA -0.477 57.711 58.200 -0.020 0.000 1.129 618 S CB -0.574 62.618 63.200 -0.012 0.000 1.035 618 S HN 0.316 nan 8.310 nan 0.000 0.840 619 E N 1.902 122.078 120.200 -0.039 0.000 2.480 619 E HA 0.474 4.824 4.350 0.000 0.000 0.258 619 E C -0.395 176.169 176.600 -0.061 0.000 0.984 619 E CA 0.161 56.532 56.400 -0.048 0.000 0.930 619 E CB 0.436 30.081 29.700 -0.091 0.000 0.936 619 E HN 0.657 nan 8.360 nan 0.000 0.466 620 A N 3.978 126.767 122.820 -0.051 0.000 2.515 620 A HA 0.615 4.935 4.320 0.000 0.000 0.296 620 A C -1.342 176.220 177.584 -0.038 0.000 1.094 620 A CA -0.868 51.132 52.037 -0.061 0.000 0.718 620 A CB 1.739 20.665 19.000 -0.123 0.000 1.307 620 A HN 0.601 nan 8.150 nan 0.000 0.408 621 D N 0.482 120.867 120.400 -0.024 0.000 2.859 621 D HA 0.568 5.208 4.640 0.000 0.000 0.223 621 D C -0.511 175.813 176.300 0.040 0.000 1.218 621 D CA -0.281 53.714 54.000 -0.009 0.000 0.850 621 D CB 1.820 42.610 40.800 -0.016 0.000 1.656 621 D HN 0.768 nan 8.370 nan 0.000 0.484 622 M N 0.374 120.014 119.600 0.066 0.000 2.572 622 M HA 0.800 5.280 4.480 0.000 0.000 0.299 622 M C -1.950 174.441 176.300 0.152 0.000 1.205 622 M CA -0.841 54.546 55.300 0.145 0.000 0.876 622 M CB 2.201 34.935 32.600 0.223 0.000 1.728 622 M HN 0.213 nan 8.290 nan 0.000 0.458 623 V N 0.849 120.869 119.914 0.177 0.000 2.588 623 V HA 0.476 4.596 4.120 0.000 0.000 0.304 623 V C -0.503 175.665 176.094 0.123 0.000 1.042 623 V CA -0.697 61.696 62.300 0.154 0.000 0.877 623 V CB 1.485 33.407 31.823 0.166 0.000 0.996 623 V HN 1.025 nan 8.190 nan 0.000 0.425 624 E N 4.222 124.474 120.200 0.086 0.000 2.257 624 E HA 0.388 4.738 4.350 0.000 0.000 0.278 624 E C -0.652 175.947 176.600 -0.001 0.000 1.049 624 E CA -0.409 56.016 56.400 0.042 0.000 0.876 624 E CB 0.615 30.331 29.700 0.027 0.000 1.035 624 E HN 0.650 nan 8.360 nan 0.000 0.419 625 L N 3.495 124.714 121.223 -0.006 0.000 2.468 625 L HA 0.126 4.466 4.340 0.000 0.000 0.254 625 L C 1.563 178.389 176.870 -0.073 0.000 1.171 625 L CA -0.855 53.961 54.840 -0.040 0.000 0.809 625 L CB 0.305 42.359 42.059 -0.008 0.000 1.155 625 L HN 0.609 nan 8.230 nan 0.000 0.473 626 Q N 1.994 121.732 119.800 -0.104 0.000 2.096 626 Q HA -0.245 4.095 4.340 0.000 0.000 0.208 626 Q C 1.675 177.664 176.000 -0.018 0.000 0.993 626 Q CA 2.528 58.289 55.803 -0.070 0.000 0.862 626 Q CB -0.265 28.501 28.738 0.047 0.000 0.915 626 Q HN 0.802 nan 8.270 nan 0.000 0.416 627 N N -1.644 117.051 118.700 -0.010 0.000 2.467 627 N HA 0.044 4.784 4.740 0.000 0.000 0.184 627 N C 1.026 176.520 175.510 -0.027 0.000 1.106 627 N CA 1.280 54.323 53.050 -0.010 0.000 0.892 627 N CB 0.321 38.804 38.487 -0.008 0.000 0.969 627 N HN 0.360 nan 8.380 nan 0.000 0.454 628 G N -0.512 108.267 108.800 -0.035 0.000 2.307 628 G HA2 -0.221 3.739 3.960 0.000 0.000 0.210 628 G HA3 -0.221 3.739 3.960 0.000 0.000 0.210 628 G C -0.439 174.425 174.900 -0.061 0.000 1.005 628 G CA 0.010 45.082 45.100 -0.046 0.000 0.634 628 G HN 0.414 nan 8.290 nan 0.000 0.496 629 D N 0.856 121.222 120.400 -0.057 0.000 2.419 629 D HA 0.382 5.022 4.640 0.000 0.000 0.236 629 D C 0.889 177.160 176.300 -0.048 0.000 1.165 629 D CA 0.427 54.384 54.000 -0.073 0.000 0.882 629 D CB 0.602 41.374 40.800 -0.047 0.000 1.201 629 D HN 0.322 nan 8.370 nan 0.000 0.443 630 L N 1.814 122.990 121.223 -0.077 0.000 2.296 630 L HA 0.370 4.710 4.340 0.000 0.000 0.286 630 L C -0.248 176.744 176.870 0.203 0.000 1.023 630 L CA -0.982 53.873 54.840 0.024 0.000 0.812 630 L CB 1.301 43.305 42.059 -0.091 0.000 1.223 630 L HN 0.129 nan 8.230 nan 0.000 0.421 631 L N 5.435 126.813 121.223 0.257 0.000 2.305 631 L HA 0.566 4.906 4.340 0.000 0.000 0.284 631 L C -0.895 176.164 176.870 0.315 0.000 1.013 631 L CA -0.397 54.617 54.840 0.289 0.000 0.819 631 L CB 1.585 43.763 42.059 0.198 0.000 1.227 631 L HN 0.500 nan 8.230 nan 0.000 0.417 632 L N 4.466 125.883 121.223 0.323 0.000 2.341 632 L HA 0.789 5.129 4.340 0.000 0.000 0.278 632 L C -0.736 176.221 176.870 0.145 0.000 1.005 632 L CA 0.115 55.040 54.840 0.143 0.000 0.818 632 L CB 2.098 44.022 42.059 -0.225 0.000 1.259 632 L HN 0.680 nan 8.230 nan 0.000 0.418 633 T N 3.244 117.856 114.554 0.096 0.000 2.779 633 T HA 0.895 5.245 4.350 0.000 0.000 0.280 633 T C -0.190 174.548 174.700 0.064 0.000 0.987 633 T CA -0.237 61.916 62.100 0.089 0.000 0.966 633 T CB 1.338 70.251 68.868 0.076 0.000 0.933 633 T HN 0.957 nan 8.240 nan 0.000 0.442 634 A N 3.045 125.928 122.820 0.104 0.000 2.386 634 A HA 0.773 5.093 4.320 0.000 0.000 0.311 634 A C -0.078 177.535 177.584 0.049 0.000 1.068 634 A CA -1.121 50.950 52.037 0.056 0.000 0.743 634 A CB 1.324 20.362 19.000 0.064 0.000 1.258 634 A HN 0.881 nan 8.150 nan 0.000 0.429 635 R N 2.670 123.164 120.500 -0.010 0.000 2.308 635 R HA 0.496 4.837 4.340 0.000 0.000 0.305 635 R C -1.333 174.959 176.300 -0.015 0.000 1.053 635 R CA -0.425 55.658 56.100 -0.028 0.000 0.957 635 R CB 0.338 30.588 30.300 -0.084 0.000 1.022 635 R HN 0.675 nan 8.270 nan 0.000 0.461 636 L N 5.172 126.394 121.223 -0.003 0.000 2.282 636 L HA 0.125 4.465 4.340 0.000 0.000 0.287 636 L C 0.463 177.301 176.870 -0.053 0.000 1.075 636 L CA -0.434 54.409 54.840 0.006 0.000 0.839 636 L CB 1.214 43.300 42.059 0.045 0.000 1.219 636 L HN 0.754 nan 8.230 nan 0.000 0.434 637 D N 2.030 122.372 120.400 -0.096 0.000 2.162 637 D HA -0.078 4.562 4.640 0.000 0.000 0.203 637 D C 1.511 177.483 176.300 -0.548 0.000 0.967 637 D CA 1.710 55.513 54.000 -0.328 0.000 0.840 637 D CB 0.314 40.856 40.800 -0.429 0.000 0.972 637 D HN 0.424 nan 8.370 nan 0.000 0.482 638 F N -0.977 119.003 119.950 0.050 0.000 2.619 638 F HA 0.222 4.749 4.527 0.000 0.000 0.281 638 F C 0.431 176.260 175.800 0.049 0.000 1.065 638 F CA -0.443 57.586 58.000 0.048 0.000 1.304 638 F CB 0.475 39.506 39.000 0.053 0.000 1.059 638 F HN -0.225 nan 8.300 nan 0.000 0.648 639 N N -0.371 118.451 118.700 0.204 0.000 2.455 639 N HA 0.212 4.952 4.740 0.000 0.000 0.285 639 N C -0.795 174.773 175.510 0.096 0.000 1.080 639 N CA -0.208 52.923 53.050 0.136 0.000 0.932 639 N CB 1.432 40.002 38.487 0.139 0.000 1.610 639 N HN 0.001 nan 8.380 nan 0.000 0.493 640 Q N 2.265 122.119 119.800 0.090 0.000 2.247 640 Q HA 0.389 4.729 4.340 0.000 0.000 0.211 640 Q C -0.009 176.105 176.000 0.189 0.000 0.861 640 Q CA 0.109 55.981 55.803 0.115 0.000 0.949 640 Q CB 0.978 29.780 28.738 0.107 0.000 1.115 640 Q HN 0.651 nan 8.270 nan 0.000 0.507 641 I N 0.202 120.860 120.570 0.146 0.000 2.406 641 I HA 0.456 4.626 4.170 0.000 0.000 0.290 641 I C -1.450 174.747 176.117 0.132 0.000 0.999 641 I CA -1.068 60.341 61.300 0.181 0.000 1.124 641 I CB 1.327 39.389 38.000 0.104 0.000 1.289 641 I HN -0.267 nan 8.210 nan 0.000 0.441 642 V N 7.255 127.279 119.914 0.185 0.000 2.525 642 V HA 0.405 4.525 4.120 0.000 0.000 0.299 642 V C 0.295 176.441 176.094 0.087 0.000 1.034 642 V CA -0.532 61.813 62.300 0.076 0.000 0.863 642 V CB 1.360 33.166 31.823 -0.028 0.000 0.999 642 V HN 0.947 nan 8.190 nan 0.000 0.423 643 N N 3.546 122.262 118.700 0.026 0.000 2.776 643 N HA -0.193 4.547 4.740 0.000 0.000 0.249 643 N C 1.117 176.640 175.510 0.021 0.000 1.111 643 N CA 1.894 54.950 53.050 0.011 0.000 0.711 643 N CB -1.060 37.423 38.487 -0.006 0.000 1.065 643 N HN 1.692 nan 8.380 nan 0.000 0.556 644 G N -2.446 106.372 108.800 0.030 0.000 2.212 644 G HA2 -0.330 3.630 3.960 0.000 0.000 0.266 644 G HA3 -0.330 3.630 3.960 0.000 0.000 0.266 644 G C 0.087 174.994 174.900 0.012 0.000 0.978 644 G CA 0.483 45.594 45.100 0.019 0.000 0.632 644 G HN 0.801 nan 8.290 nan 0.000 0.537 645 V N 2.027 121.961 119.914 0.033 0.000 2.339 645 V HA 0.350 4.470 4.120 0.000 0.000 0.261 645 V C 0.676 176.737 176.094 -0.055 0.000 1.058 645 V CA -0.849 61.429 62.300 -0.037 0.000 0.897 645 V CB 1.038 32.828 31.823 -0.055 0.000 1.052 645 V HN 0.420 nan 8.190 nan 0.000 0.480 646 N N 4.183 122.818 118.700 -0.109 0.000 2.483 646 N HA 0.114 4.854 4.740 0.000 0.000 0.264 646 N C -1.148 174.218 175.510 -0.240 0.000 1.197 646 N CA 0.241 53.254 53.050 -0.062 0.000 0.927 646 N CB 0.302 38.764 38.487 -0.042 0.000 1.065 646 N HN 0.462 nan 8.380 nan 0.000 0.461 647 Y N 1.155 121.443 120.300 -0.020 0.000 2.335 647 Y HA 0.224 4.774 4.550 0.000 0.000 0.338 647 Y C 1.344 177.232 175.900 -0.020 0.000 0.977 647 Y CA -0.691 57.392 58.100 -0.028 0.000 1.114 647 Y CB 1.059 39.508 38.460 -0.019 0.000 1.182 647 Y HN 0.541 nan 8.280 nan 0.000 0.463 648 S N 3.226 118.959 115.700 0.055 0.000 2.870 648 S HA 0.016 4.486 4.470 0.000 0.000 0.251 648 S C -1.936 172.697 174.600 0.055 0.000 1.430 648 S CA -0.332 57.888 58.200 0.033 0.000 1.033 648 S CB -0.295 62.908 63.200 0.004 0.000 0.858 648 S HN 0.474 nan 8.310 nan 0.000 0.505 649 P HA 0.385 nan 4.420 nan 0.000 0.262 649 P C -0.032 177.282 177.300 0.023 0.000 1.304 649 P CA 0.273 63.386 63.100 0.022 0.000 0.859 649 P CB 0.174 31.876 31.700 0.004 0.000 1.310 650 R N -0.331 120.193 120.500 0.040 0.000 2.604 650 R HA 0.395 4.735 4.340 0.000 0.000 0.270 650 R C -1.367 174.957 176.300 0.040 0.000 1.052 650 R CA -0.480 55.648 56.100 0.047 0.000 0.902 650 R CB 1.341 31.672 30.300 0.052 0.000 1.233 650 R HN -0.201 nan 8.270 nan 0.000 0.455 651 Q N 1.999 121.830 119.800 0.052 0.000 2.421 651 Q HA 0.346 4.686 4.340 0.000 0.000 0.280 651 Q C -1.424 174.517 176.000 -0.098 0.000 1.085 651 Q CA -0.966 54.797 55.803 -0.066 0.000 0.807 651 Q CB 2.668 31.329 28.738 -0.128 0.000 1.405 651 Q HN 0.546 nan 8.270 nan 0.000 0.419 652 Q N 0.822 120.453 119.800 -0.282 0.000 2.266 652 Q HA 0.666 5.007 4.340 0.000 0.000 0.261 652 Q C -1.291 174.469 176.000 -0.401 0.000 0.985 652 Q CA -0.022 55.691 55.803 -0.150 0.000 0.873 652 Q CB 1.423 30.117 28.738 -0.074 0.000 1.306 652 Q HN 0.343 nan 8.270 nan 0.000 0.447 653 F N 0.670 120.653 119.950 0.054 0.000 2.588 653 F HA 0.659 5.186 4.527 0.000 0.000 0.314 653 F C -0.955 175.046 175.800 0.336 0.000 1.069 653 F CA -1.021 57.068 58.000 0.149 0.000 0.931 653 F CB 1.408 40.440 39.000 0.054 0.000 1.260 653 F HN 0.342 nan 8.300 nan 0.000 0.465 654 L N 1.353 122.904 121.223 0.546 0.000 2.381 654 L HA 0.781 5.121 4.340 0.000 0.000 0.268 654 L C -0.751 176.226 176.870 0.179 0.000 0.997 654 L CA -0.158 54.907 54.840 0.375 0.000 0.818 654 L CB 2.087 44.242 42.059 0.159 0.000 1.310 654 L HN 0.553 nan 8.230 nan 0.000 0.416 655 S N 2.852 118.420 115.700 -0.220 0.000 2.561 655 S HA 0.508 4.978 4.470 0.000 0.000 0.303 655 S C -0.008 174.353 174.600 -0.399 0.000 1.110 655 S CA -0.610 57.196 58.200 -0.656 0.000 1.034 655 S CB 1.048 63.240 63.200 -1.681 0.000 1.010 655 S HN 0.766 nan 8.310 nan 0.000 0.482 656 K N 2.136 122.340 120.400 -0.327 0.000 2.372 656 K HA 0.160 4.480 4.320 0.000 0.000 0.200 656 K C -0.258 176.172 176.600 -0.284 0.000 1.022 656 K CA 0.081 56.226 56.287 -0.237 0.000 1.125 656 K CB 0.260 32.660 32.500 -0.166 0.000 0.855 656 K HN 0.665 nan 8.250 nan 0.000 0.524 657 D N -0.642 119.524 120.400 -0.390 0.000 2.650 657 D HA 0.108 4.748 4.640 0.000 0.000 0.265 657 D C 0.721 176.814 176.300 -0.345 0.000 1.339 657 D CA -0.287 53.486 54.000 -0.377 0.000 0.816 657 D CB 0.400 40.879 40.800 -0.535 0.000 1.091 657 D HN 0.111 nan 8.370 nan 0.000 0.483 658 G N -0.192 108.408 108.800 -0.333 0.000 2.137 658 G HA2 0.022 3.982 3.960 0.000 0.000 0.237 658 G HA3 0.022 3.982 3.960 0.000 0.000 0.237 658 G C 1.091 175.768 174.900 -0.372 0.000 1.002 658 G CA 0.254 45.177 45.100 -0.295 0.000 0.702 658 G HN 1.420 nan 8.290 nan 0.000 0.515 659 G N -1.438 107.046 108.800 -0.527 0.000 2.132 659 G HA2 -0.191 3.769 3.960 0.000 0.000 0.228 659 G HA3 -0.191 3.769 3.960 0.000 0.000 0.228 659 G C 1.011 175.675 174.900 -0.393 0.000 1.000 659 G CA 0.606 45.377 45.100 -0.548 0.000 0.693 659 G HN 0.860 nan 8.290 nan 0.000 0.515 660 I N 1.016 121.328 120.570 -0.429 0.000 2.270 660 I HA 0.132 4.302 4.170 0.000 0.000 0.239 660 I C 1.821 177.828 176.117 -0.183 0.000 1.080 660 I CA 2.407 63.566 61.300 -0.234 0.000 1.383 660 I CB -1.380 36.528 38.000 -0.154 0.000 1.097 660 I HN 0.593 nan 8.210 nan 0.000 0.420 661 T N -2.550 111.816 114.554 -0.315 0.000 2.916 661 T HA 0.503 4.853 4.350 0.000 0.000 0.292 661 T C -1.278 173.175 174.700 -0.411 0.000 1.055 661 T CA -0.620 61.367 62.100 -0.188 0.000 1.009 661 T CB 2.235 71.078 68.868 -0.041 0.000 1.118 661 T HN 0.072 nan 8.240 nan 0.000 0.497 662 W N 0.497 121.771 121.300 -0.044 0.000 2.804 662 W HA 0.732 5.392 4.660 0.000 0.000 0.352 662 W C -0.435 176.122 176.519 0.063 0.000 1.153 662 W CA -0.682 56.671 57.345 0.013 0.000 1.119 662 W CB 1.777 31.245 29.460 0.014 0.000 1.448 662 W HN 0.874 nan 8.180 nan 0.000 0.600 663 S N 1.083 117.008 115.700 0.375 0.000 2.575 663 S HA 0.485 4.955 4.470 0.000 0.000 0.278 663 S C -1.225 173.553 174.600 0.297 0.000 1.139 663 S CA -0.853 57.503 58.200 0.259 0.000 0.954 663 S CB 1.400 64.678 63.200 0.130 0.000 1.054 663 S HN 0.521 nan 8.310 nan 0.000 0.483 664 L N 2.944 124.305 121.223 0.230 0.000 2.456 664 L HA 0.373 4.714 4.340 0.000 0.000 0.272 664 L C -0.842 175.986 176.870 -0.069 0.000 1.189 664 L CA -0.270 54.584 54.840 0.023 0.000 0.846 664 L CB 0.250 42.309 42.059 0.001 0.000 1.111 664 L HN 0.669 nan 8.230 nan 0.000 0.475 665 L N 5.555 126.652 121.223 -0.210 0.000 2.315 665 L HA 0.289 4.629 4.340 0.000 0.000 0.278 665 L C 0.319 177.105 176.870 -0.140 0.000 1.088 665 L CA -0.225 54.538 54.840 -0.128 0.000 0.899 665 L CB 0.524 42.517 42.059 -0.110 0.000 1.277 665 L HN 0.672 nan 8.230 nan 0.000 0.431 666 E N 3.536 123.684 120.200 -0.088 0.000 2.493 666 E HA 0.064 4.414 4.350 0.000 0.000 0.255 666 E C 0.890 177.426 176.600 -0.106 0.000 0.999 666 E CA 0.722 57.072 56.400 -0.084 0.000 0.934 666 E CB 0.473 30.141 29.700 -0.053 0.000 0.940 666 E HN 0.758 nan 8.360 nan 0.000 0.473 667 A N 4.102 126.840 122.820 -0.137 0.000 2.945 667 A HA -0.278 4.042 4.320 0.000 0.000 0.251 667 A C 0.132 177.629 177.584 -0.146 0.000 1.355 667 A CA 1.280 53.231 52.037 -0.143 0.000 0.905 667 A CB -2.205 16.725 19.000 -0.116 0.000 1.104 667 A HN 0.763 nan 8.150 nan 0.000 0.733 668 N N -0.021 118.581 118.700 -0.162 0.000 2.904 668 N HA 0.482 5.222 4.740 0.000 0.000 0.257 668 N C -0.118 175.264 175.510 -0.214 0.000 1.363 668 N CA 0.083 53.023 53.050 -0.185 0.000 0.856 668 N CB 0.200 38.599 38.487 -0.148 0.000 1.166 668 N HN 0.737 nan 8.380 nan 0.000 0.499 669 N N 0.537 119.104 118.700 -0.221 0.000 3.513 669 N HA 0.418 5.159 4.740 0.000 0.000 0.351 669 N C 1.025 176.420 175.510 -0.191 0.000 1.624 669 N CA -0.343 52.610 53.050 -0.162 0.000 0.712 669 N CB -0.263 38.160 38.487 -0.106 0.000 2.106 669 N HN 0.046 nan 8.380 nan 0.000 0.649 670 A N 0.312 123.097 122.820 -0.059 0.000 1.909 670 A HA -0.309 4.012 4.320 0.000 0.000 0.221 670 A C 1.539 179.085 177.584 -0.064 0.000 1.223 670 A CA 2.228 54.279 52.037 0.024 0.000 0.658 670 A CB -1.493 17.530 19.000 0.038 0.000 0.831 670 A HN 0.700 nan 8.150 nan 0.000 0.462 671 N N -0.206 118.434 118.700 -0.100 0.000 2.503 671 N HA -0.120 4.620 4.740 0.000 0.000 0.189 671 N C 1.420 176.828 175.510 -0.170 0.000 1.048 671 N CA 1.249 54.243 53.050 -0.093 0.000 0.905 671 N CB -0.416 38.019 38.487 -0.087 0.000 0.951 671 N HN 0.334 nan 8.380 nan 0.000 0.446 672 V N 0.284 119.965 119.914 -0.388 0.000 2.809 672 V HA -0.077 4.043 4.120 0.000 0.000 0.256 672 V C -0.112 175.635 176.094 -0.579 0.000 1.080 672 V CA 0.880 62.867 62.300 -0.522 0.000 1.102 672 V CB -0.323 31.049 31.823 -0.751 0.000 0.705 672 V HN 0.025 nan 8.190 nan 0.000 0.475 673 F N 0.699 120.493 119.950 -0.260 0.000 2.313 673 F HA 0.450 4.977 4.527 0.000 0.000 0.369 673 F C 0.894 176.734 175.800 0.065 0.000 1.109 673 F CA -0.716 57.066 58.000 -0.363 0.000 1.132 673 F CB 0.379 38.797 39.000 -0.970 0.000 1.291 673 F HN -0.194 nan 8.300 nan 0.000 0.496 674 S N 3.760 119.728 115.700 0.447 0.000 2.558 674 S HA -0.045 4.426 4.470 0.000 0.000 0.293 674 S C 0.902 175.811 174.600 0.516 0.000 1.292 674 S CA -0.103 58.332 58.200 0.392 0.000 1.063 674 S CB -0.051 63.343 63.200 0.323 0.000 0.831 674 S HN 0.805 nan 8.310 nan 0.000 0.499 675 N N -0.333 118.561 118.700 0.323 0.000 2.828 675 N HA -0.187 4.553 4.740 0.000 0.000 0.248 675 N C -0.066 175.672 175.510 0.379 0.000 1.044 675 N CA 0.579 53.802 53.050 0.288 0.000 0.851 675 N CB -1.046 37.563 38.487 0.204 0.000 1.136 675 N HN 0.678 nan 8.380 nan 0.000 0.572 676 I N 0.928 121.744 120.570 0.410 0.000 3.004 676 I HA 0.020 4.190 4.170 0.000 0.000 0.287 676 I C 0.949 177.164 176.117 0.163 0.000 1.144 676 I CA 0.137 61.617 61.300 0.300 0.000 1.353 676 I CB 0.984 39.006 38.000 0.036 0.000 1.417 676 I HN 0.112 nan 8.210 nan 0.000 0.602 677 S N 2.445 118.210 115.700 0.108 0.000 2.548 677 S HA 0.069 4.539 4.470 0.000 0.000 0.277 677 S C 1.085 175.709 174.600 0.040 0.000 1.315 677 S CA -0.037 58.203 58.200 0.066 0.000 1.050 677 S CB 0.746 63.973 63.200 0.045 0.000 0.918 677 S HN 0.750 nan 8.310 nan 0.000 0.497 678 T N 2.331 116.908 114.554 0.039 0.000 3.148 678 T HA 0.253 4.603 4.350 0.000 0.000 0.253 678 T C 0.960 175.670 174.700 0.016 0.000 1.134 678 T CA 0.069 62.186 62.100 0.028 0.000 1.051 678 T CB -0.439 68.447 68.868 0.030 0.000 0.959 678 T HN 0.643 nan 8.240 nan 0.000 0.525 679 G N 1.695 110.503 108.800 0.013 0.000 2.599 679 G HA2 0.461 4.421 3.960 0.000 0.000 0.264 679 G HA3 0.461 4.421 3.960 0.000 0.000 0.264 679 G C -0.142 174.750 174.900 -0.013 0.000 1.200 679 G CA -0.468 44.634 45.100 0.003 0.000 0.896 679 G HN 0.472 nan 8.290 nan 0.000 0.536 680 T N -1.839 112.700 114.554 -0.024 0.000 2.744 680 T HA 0.630 4.980 4.350 0.000 0.000 0.291 680 T C -0.122 174.544 174.700 -0.057 0.000 0.957 680 T CA -0.601 61.469 62.100 -0.049 0.000 1.002 680 T CB 1.270 70.094 68.868 -0.073 0.000 0.919 680 T HN 0.627 nan 8.240 nan 0.000 0.468 681 V N 1.047 120.902 119.914 -0.098 0.000 3.202 681 V HA 0.578 4.698 4.120 0.000 0.000 0.306 681 V C -0.938 174.961 176.094 -0.325 0.000 1.283 681 V CA -1.362 60.841 62.300 -0.161 0.000 1.065 681 V CB 2.067 33.815 31.823 -0.125 0.000 1.079 681 V HN 0.931 nan 8.190 nan 0.000 0.448 682 D N 0.318 120.312 120.400 -0.677 0.000 2.210 682 D HA 0.714 5.354 4.640 0.000 0.000 0.249 682 D C -0.004 176.019 176.300 -0.462 0.000 1.078 682 D CA 0.416 53.997 54.000 -0.698 0.000 0.875 682 D CB 1.740 41.794 40.800 -1.243 0.000 1.175 682 D HN 1.035 nan 8.370 nan 0.000 0.440 683 A N 2.442 125.073 122.820 -0.315 0.000 2.616 683 A HA 0.826 5.146 4.320 0.000 0.000 0.253 683 A C -0.683 176.760 177.584 -0.236 0.000 1.239 683 A CA -0.604 51.228 52.037 -0.342 0.000 0.914 683 A CB 1.481 20.225 19.000 -0.427 0.000 1.454 683 A HN 0.480 nan 8.150 nan 0.000 0.460 684 S N -1.508 114.026 115.700 -0.277 0.000 2.556 684 S HA 0.704 5.174 4.470 0.000 0.000 0.271 684 S C -1.687 172.929 174.600 0.025 0.000 1.135 684 S CA -0.324 57.826 58.200 -0.083 0.000 0.858 684 S CB 1.118 64.307 63.200 -0.019 0.000 1.114 684 S HN 1.071 nan 8.310 nan 0.000 0.468 685 I N 2.566 123.225 120.570 0.149 0.000 2.722 685 I HA 0.746 4.916 4.170 0.000 0.000 0.295 685 I C -0.994 175.274 176.117 0.251 0.000 1.161 685 I CA 0.059 61.519 61.300 0.266 0.000 1.032 685 I CB 2.302 40.491 38.000 0.314 0.000 1.244 685 I HN 0.850 nan 8.210 nan 0.000 0.421 686 T N 3.498 118.210 114.554 0.263 0.000 2.762 686 T HA 0.464 4.814 4.350 0.000 0.000 0.301 686 T C -0.993 173.812 174.700 0.175 0.000 1.299 686 T CA -0.958 61.265 62.100 0.205 0.000 1.005 686 T CB 1.473 70.409 68.868 0.114 0.000 1.377 686 T HN 0.728 nan 8.240 nan 0.000 0.504 687 R N 0.071 120.619 120.500 0.079 0.000 2.407 687 R HA 0.686 5.026 4.340 0.000 0.000 0.303 687 R C -1.716 174.611 176.300 0.046 0.000 0.981 687 R CA -0.788 55.344 56.100 0.054 0.000 0.905 687 R CB 0.803 31.086 30.300 -0.028 0.000 1.099 687 R HN 0.643 nan 8.270 nan 0.000 0.459 688 F N 2.939 122.787 119.950 -0.171 0.000 2.449 688 F HA 0.342 4.869 4.527 0.000 0.000 0.342 688 F C -0.581 174.995 175.800 -0.374 0.000 1.127 688 F CA -0.593 57.235 58.000 -0.286 0.000 0.975 688 F CB 1.668 40.480 39.000 -0.313 0.000 1.146 688 F HN 0.495 nan 8.300 nan 0.000 0.444 689 E N 6.020 125.820 120.200 -0.666 0.000 2.073 689 E HA 0.147 4.497 4.350 0.000 0.000 0.269 689 E C -0.918 175.381 176.600 -0.502 0.000 0.917 689 E CA -0.414 55.724 56.400 -0.437 0.000 0.757 689 E CB 1.346 30.885 29.700 -0.268 0.000 1.111 689 E HN 0.734 nan 8.360 nan 0.000 0.410 690 Q N 1.071 120.708 119.800 -0.272 0.000 2.288 690 Q HA 0.063 4.404 4.340 0.000 0.000 0.254 690 Q C 1.446 177.398 176.000 -0.079 0.000 0.932 690 Q CA -0.071 55.659 55.803 -0.121 0.000 0.902 690 Q CB 1.181 29.957 28.738 0.064 0.000 1.203 690 Q HN 0.607 nan 8.270 nan 0.000 0.415 691 S N 1.601 117.264 115.700 -0.063 0.000 2.402 691 S HA -0.265 4.205 4.470 0.000 0.000 0.233 691 S C 1.189 175.776 174.600 -0.022 0.000 1.030 691 S CA 2.004 60.177 58.200 -0.044 0.000 1.003 691 S CB -0.339 62.843 63.200 -0.030 0.000 0.813 691 S HN 0.883 nan 8.310 nan 0.000 0.477 692 D N 0.208 120.605 120.400 -0.006 0.000 2.350 692 D HA 0.268 4.908 4.640 0.000 0.000 0.216 692 D C 1.496 177.793 176.300 -0.004 0.000 0.968 692 D CA 1.001 55.001 54.000 0.001 0.000 0.894 692 D CB -0.368 40.441 40.800 0.015 0.000 0.909 692 D HN 0.611 nan 8.370 nan 0.000 0.520 693 G N -0.134 108.659 108.800 -0.011 0.000 2.541 693 G HA2 -0.242 3.718 3.960 0.000 0.000 0.201 693 G HA3 -0.242 3.718 3.960 0.000 0.000 0.201 693 G C 0.490 175.374 174.900 -0.026 0.000 1.026 693 G CA 0.031 45.124 45.100 -0.013 0.000 0.687 693 G HN 0.802 nan 8.290 nan 0.000 0.492 694 S N 1.279 116.963 115.700 -0.027 0.000 2.576 694 S HA 0.580 5.050 4.470 0.000 0.000 0.272 694 S C 0.033 174.597 174.600 -0.060 0.000 1.352 694 S CA 0.962 59.122 58.200 -0.067 0.000 1.021 694 S CB 0.926 64.148 63.200 0.035 0.000 0.887 694 S HN 1.944 nan 8.310 nan 0.000 0.542 695 H N -1.176 117.931 119.070 0.063 0.000 2.990 695 H HA 0.834 5.390 4.556 0.000 0.000 0.343 695 H C -0.795 174.589 175.328 0.093 0.000 1.270 695 H CA -1.274 54.712 56.048 -0.103 0.000 1.118 695 H CB 0.461 30.180 29.762 -0.071 0.000 1.861 695 H HN 0.787 nan 8.280 nan 0.000 0.544 696 F N -1.897 118.357 119.950 0.507 0.000 2.926 696 F HA 0.610 5.137 4.527 0.000 0.000 0.321 696 F C -2.235 173.715 175.800 0.248 0.000 1.168 696 F CA -1.582 56.628 58.000 0.349 0.000 0.890 696 F CB 0.699 39.878 39.000 0.298 0.000 1.357 696 F HN 0.531 nan 8.300 nan 0.000 0.468 697 L N 1.964 123.442 121.223 0.425 0.000 2.334 697 L HA 0.767 5.107 4.340 0.000 0.000 0.276 697 L C -0.936 176.234 176.870 0.499 0.000 1.014 697 L CA -0.818 54.258 54.840 0.393 0.000 0.815 697 L CB 1.715 43.993 42.059 0.365 0.000 1.268 697 L HN 0.538 nan 8.230 nan 0.000 0.428 698 L N 2.548 124.005 121.223 0.390 0.000 2.329 698 L HA 0.580 4.920 4.340 0.000 0.000 0.279 698 L C -1.126 175.922 176.870 0.296 0.000 1.014 698 L CA -0.348 54.616 54.840 0.206 0.000 0.814 698 L CB 1.921 44.011 42.059 0.051 0.000 1.257 698 L HN 0.467 nan 8.230 nan 0.000 0.424 699 F N 2.200 122.172 119.950 0.036 0.000 2.562 699 F HA 0.565 5.093 4.527 0.000 0.000 0.319 699 F C -0.268 175.511 175.800 -0.035 0.000 1.154 699 F CA -0.387 57.541 58.000 -0.118 0.000 0.931 699 F CB 1.811 40.481 39.000 -0.550 0.000 1.198 699 F HN 0.459 nan 8.300 nan 0.000 0.444 700 T N 2.639 116.703 114.554 -0.816 0.000 2.885 700 T HA 0.738 5.089 4.350 0.000 0.000 0.285 700 T C -1.033 173.164 174.700 -0.838 0.000 1.019 700 T CA -0.794 60.965 62.100 -0.569 0.000 1.010 700 T CB 1.857 70.573 68.868 -0.254 0.000 1.022 700 T HN 0.833 nan 8.240 nan 0.000 0.466 701 N N 1.197 119.668 118.700 -0.381 0.000 4.107 701 N HA 0.393 5.133 4.740 0.000 0.000 0.213 701 N C -3.225 172.279 175.510 -0.010 0.000 1.216 701 N CA -0.976 51.889 53.050 -0.308 0.000 0.925 701 N CB 1.712 39.846 38.487 -0.589 0.000 1.541 701 N HN 0.371 nan 8.380 nan 0.000 0.524 702 P HA 0.195 nan 4.420 nan 0.000 0.273 702 P C -0.526 176.844 177.300 0.117 0.000 1.250 702 P CA 0.160 63.288 63.100 0.047 0.000 0.793 702 P CB 0.651 32.367 31.700 0.027 0.000 1.011 703 Q N -0.183 119.680 119.800 0.106 0.000 2.391 703 Q HA 0.339 4.679 4.340 0.000 0.000 0.243 703 Q C 0.495 176.546 176.000 0.086 0.000 0.874 703 Q CA 0.321 56.205 55.803 0.134 0.000 0.950 703 Q CB 0.429 29.226 28.738 0.098 0.000 1.103 703 Q HN 0.765 nan 8.270 nan 0.000 0.544 704 G N 2.246 111.081 108.800 0.058 0.000 2.690 704 G HA2 -0.230 3.730 3.960 0.000 0.000 0.686 704 G HA3 -0.230 3.730 3.960 0.000 0.000 0.686 704 G C 0.013 174.934 174.900 0.035 0.000 1.277 704 G CA -0.115 45.012 45.100 0.044 0.000 0.799 704 G HN 0.293 nan 8.290 nan 0.000 0.613 705 N N 0.255 118.972 118.700 0.028 0.000 2.309 705 N HA 0.025 4.765 4.740 0.000 0.000 0.182 705 N C -1.371 174.151 175.510 0.021 0.000 1.018 705 N CA 1.843 54.906 53.050 0.022 0.000 0.876 705 N CB -0.630 37.868 38.487 0.019 0.000 0.972 705 N HN 0.569 nan 8.380 nan 0.000 0.434 706 P HA 0.419 nan 4.420 nan 0.000 0.292 706 P C -1.379 175.942 177.300 0.035 0.000 1.311 706 P CA -0.758 62.358 63.100 0.026 0.000 0.995 706 P CB 1.302 33.016 31.700 0.024 0.000 1.387 707 A N 0.770 123.612 122.820 0.036 0.000 2.589 707 A HA 0.317 4.638 4.320 0.000 0.000 0.259 707 A C 1.203 178.822 177.584 0.058 0.000 1.000 707 A CA 0.860 52.926 52.037 0.047 0.000 0.847 707 A CB -1.844 17.181 19.000 0.041 0.000 0.885 707 A HN 0.945 nan 8.150 nan 0.000 0.508 708 G N 3.928 112.776 108.800 0.081 0.000 2.121 708 G HA2 -0.004 3.956 3.960 0.000 0.000 0.237 708 G HA3 -0.004 3.956 3.960 0.000 0.000 0.237 708 G C 0.310 175.248 174.900 0.065 0.000 0.628 708 G CA 0.756 45.911 45.100 0.092 0.000 1.062 708 G HN 1.282 nan 8.290 nan 0.000 0.350 709 T N 1.153 115.742 114.554 0.058 0.000 2.927 709 T HA 0.384 4.734 4.350 0.000 0.000 0.286 709 T C 0.597 175.320 174.700 0.039 0.000 1.040 709 T CA -0.855 61.270 62.100 0.043 0.000 1.010 709 T CB 1.378 70.268 68.868 0.036 0.000 1.177 709 T HN 0.370 nan 8.240 nan 0.000 0.546 710 N N 1.265 119.984 118.700 0.031 0.000 3.124 710 N HA 0.296 5.036 4.740 0.000 0.000 0.284 710 N C -0.612 174.913 175.510 0.025 0.000 1.209 710 N CA -0.137 52.928 53.050 0.026 0.000 1.149 710 N CB -0.399 38.101 38.487 0.022 0.000 1.434 710 N HN 0.866 nan 8.380 nan 0.000 0.529 711 G N 1.330 110.147 108.800 0.029 0.000 2.760 711 G HA2 0.219 4.179 3.960 0.000 0.000 0.296 711 G HA3 0.219 4.179 3.960 0.000 0.000 0.296 711 G C -0.587 174.332 174.900 0.032 0.000 1.427 711 G CA -0.736 44.381 45.100 0.029 0.000 1.109 711 G HN 0.365 nan 8.290 nan 0.000 0.553 712 R N 1.805 122.325 120.500 0.033 0.000 4.154 712 R HA 0.224 4.564 4.340 0.000 0.000 0.186 712 R C -0.090 176.235 176.300 0.041 0.000 1.750 712 R CA 0.069 56.193 56.100 0.040 0.000 1.431 712 R CB 0.025 30.355 30.300 0.049 0.000 1.383 712 R HN 0.395 nan 8.270 nan 0.000 0.788 713 Q N 0.703 120.525 119.800 0.038 0.000 2.423 713 Q HA 0.253 4.594 4.340 0.000 0.000 0.278 713 Q C -0.522 175.498 176.000 0.032 0.000 1.097 713 Q CA -1.172 54.652 55.803 0.035 0.000 0.809 713 Q CB 1.738 30.493 28.738 0.028 0.000 1.391 713 Q HN 0.291 nan 8.270 nan 0.000 0.428 714 N N 0.332 119.047 118.700 0.026 0.000 2.641 714 N HA -0.208 4.532 4.740 0.000 0.000 0.267 714 N C -0.470 175.044 175.510 0.007 0.000 1.087 714 N CA 0.243 53.299 53.050 0.011 0.000 0.731 714 N CB -1.485 37.000 38.487 -0.003 0.000 0.886 714 N HN 0.636 nan 8.380 nan 0.000 0.547 715 L N 0.095 121.328 121.223 0.017 0.000 2.559 715 L HA 0.338 4.678 4.340 0.000 0.000 0.282 715 L C 1.167 178.009 176.870 -0.047 0.000 1.232 715 L CA 0.975 55.817 54.840 0.004 0.000 0.885 715 L CB 0.151 42.217 42.059 0.012 0.000 1.131 715 L HN 0.471 nan 8.230 nan 0.000 0.498 716 G N 4.358 113.115 108.800 -0.072 0.000 2.735 716 G HA2 0.638 4.598 3.960 0.000 0.000 0.301 716 G HA3 0.638 4.598 3.960 0.000 0.000 0.301 716 G C -1.836 172.894 174.900 -0.283 0.000 1.279 716 G CA -0.639 44.277 45.100 -0.306 0.000 1.019 716 G HN 0.832 nan 8.290 nan 0.000 0.497 717 L N -0.394 120.539 121.223 -0.483 0.000 2.528 717 L HA 0.600 4.940 4.340 0.000 0.000 0.267 717 L C -1.298 175.472 176.870 -0.167 0.000 0.961 717 L CA -0.884 53.837 54.840 -0.197 0.000 0.866 717 L CB 1.244 43.179 42.059 -0.207 0.000 1.248 717 L HN 0.628 nan 8.230 nan 0.000 0.404 718 W N 3.745 125.060 121.300 0.025 0.000 2.576 718 W HA 0.566 5.226 4.660 0.000 0.000 0.360 718 W C -0.888 175.805 176.519 0.291 0.000 1.109 718 W CA -0.518 57.001 57.345 0.291 0.000 1.237 718 W CB 1.776 31.481 29.460 0.408 0.000 1.369 718 W HN 0.328 nan 8.180 nan 0.000 0.609 719 F N 0.362 120.683 119.950 0.618 0.000 2.640 719 F HA 0.430 4.957 4.527 0.000 0.000 0.324 719 F C 0.082 175.916 175.800 0.057 0.000 1.077 719 F CA -0.987 57.150 58.000 0.228 0.000 0.965 719 F CB 1.943 40.689 39.000 -0.425 0.000 1.351 719 F HN 0.008 nan 8.300 nan 0.000 0.487 720 S N 0.508 115.959 115.700 -0.416 0.000 2.720 720 S HA 0.462 4.932 4.470 0.000 0.000 0.278 720 S C -0.697 173.505 174.600 -0.663 0.000 1.172 720 S CA -0.497 57.182 58.200 -0.868 0.000 1.019 720 S CB 0.191 62.204 63.200 -1.978 0.000 1.049 720 S HN 0.435 nan 8.310 nan 0.000 0.483 721 F N 2.340 122.244 119.950 -0.076 0.000 2.754 721 F HA 0.229 4.756 4.527 0.000 0.000 0.297 721 F C 1.529 177.323 175.800 -0.010 0.000 1.122 721 F CA -0.170 57.835 58.000 0.008 0.000 1.400 721 F CB 0.223 39.203 39.000 -0.033 0.000 1.117 721 F HN 0.636 nan 8.300 nan 0.000 0.587 722 D N -0.565 119.839 120.400 0.008 0.000 2.559 722 D HA 0.101 4.741 4.640 0.000 0.000 0.234 722 D C -0.056 176.206 176.300 -0.064 0.000 1.226 722 D CA -0.194 53.801 54.000 -0.008 0.000 0.830 722 D CB -0.373 40.414 40.800 -0.022 0.000 1.028 722 D HN 0.117 nan 8.370 nan 0.000 0.492 723 E N -0.169 119.986 120.200 -0.075 0.000 2.298 723 E HA -0.086 4.264 4.350 0.000 0.000 0.235 723 E C 1.020 177.531 176.600 -0.149 0.000 1.167 723 E CA 0.758 57.114 56.400 -0.074 0.000 0.708 723 E CB -1.645 28.056 29.700 0.003 0.000 1.236 723 E HN 0.648 nan 8.360 nan 0.000 0.386 724 G N -1.194 107.389 108.800 -0.362 0.000 2.203 724 G HA2 -0.367 3.593 3.960 0.000 0.000 0.263 724 G HA3 -0.367 3.593 3.960 0.000 0.000 0.263 724 G C 0.927 175.684 174.900 -0.238 0.000 1.012 724 G CA 0.364 45.232 45.100 -0.387 0.000 0.749 724 G HN 0.537 nan 8.290 nan 0.000 0.512 725 V N 0.125 119.894 119.914 -0.242 0.000 2.379 725 V HA 0.184 4.304 4.120 0.000 0.000 0.243 725 V C 1.935 177.938 176.094 -0.153 0.000 1.035 725 V CA 2.699 64.918 62.300 -0.135 0.000 1.035 725 V CB 0.129 31.897 31.823 -0.092 0.000 0.673 725 V HN 0.968 nan 8.190 nan 0.000 0.457 726 T N -4.090 110.318 114.554 -0.243 0.000 2.773 726 T HA 0.565 4.916 4.350 0.000 0.000 0.278 726 T C -1.402 173.048 174.700 -0.416 0.000 1.011 726 T CA -0.720 61.283 62.100 -0.161 0.000 1.014 726 T CB 2.066 70.911 68.868 -0.038 0.000 1.293 726 T HN 0.202 nan 8.240 nan 0.000 0.554 727 W N -0.625 120.684 121.300 0.016 0.000 3.118 727 W HA 0.679 5.339 4.660 0.000 0.000 0.328 727 W C -0.962 175.694 176.519 0.228 0.000 1.239 727 W CA -0.835 56.586 57.345 0.126 0.000 1.176 727 W CB 1.929 31.479 29.460 0.150 0.000 1.433 727 W HN 0.379 nan 8.180 nan 0.000 0.562 728 K N 1.315 122.053 120.400 0.563 0.000 2.307 728 K HA 0.516 4.836 4.320 0.000 0.000 0.263 728 K C 0.192 177.056 176.600 0.440 0.000 0.973 728 K CA -0.702 55.842 56.287 0.429 0.000 0.846 728 K CB 1.022 33.726 32.500 0.339 0.000 1.100 728 K HN 0.643 nan 8.250 nan 0.000 0.438 729 G N 5.103 114.096 108.800 0.321 0.000 2.956 729 G HA2 -0.191 3.769 3.960 0.000 0.000 0.258 729 G HA3 -0.191 3.769 3.960 0.000 0.000 0.258 729 G C -2.176 172.599 174.900 -0.209 0.000 0.437 729 G CA -0.588 44.596 45.100 0.140 0.000 1.163 729 G HN 0.372 nan 8.290 nan 0.000 0.231 730 P HA 0.303 nan 4.420 nan 0.000 0.282 730 P C 0.049 177.032 177.300 -0.528 0.000 1.274 730 P CA -0.225 62.150 63.100 -1.208 0.000 0.770 730 P CB 0.769 31.595 31.700 -1.456 0.000 0.867 731 I N 3.024 123.365 120.570 -0.382 0.000 2.352 731 I HA 0.165 4.335 4.170 0.000 0.000 0.290 731 I C 1.208 177.189 176.117 -0.227 0.000 1.036 731 I CA -0.478 60.711 61.300 -0.185 0.000 1.336 731 I CB 0.628 38.615 38.000 -0.021 0.000 1.407 731 I HN 0.324 nan 8.210 nan 0.000 0.497 732 Q N 5.859 125.551 119.800 -0.180 0.000 2.313 732 Q HA 0.188 4.529 4.340 0.000 0.000 0.266 732 Q C 0.206 176.145 176.000 -0.102 0.000 0.989 732 Q CA 0.039 55.754 55.803 -0.147 0.000 0.890 732 Q CB 0.940 29.610 28.738 -0.113 0.000 1.200 732 Q HN 0.723 nan 8.270 nan 0.000 0.396 733 L N 3.065 124.245 121.223 -0.071 0.000 2.672 733 L HA 0.311 4.651 4.340 0.000 0.000 0.236 733 L C -0.272 176.618 176.870 0.034 0.000 1.092 733 L CA 0.049 54.877 54.840 -0.020 0.000 0.887 733 L CB 0.988 43.041 42.059 -0.010 0.000 1.168 733 L HN 0.361 nan 8.230 nan 0.000 0.502 734 V N -0.106 119.820 119.914 0.020 0.000 3.087 734 V HA 0.344 4.464 4.120 0.000 0.000 0.306 734 V C -1.067 175.016 176.094 -0.019 0.000 1.187 734 V CA -0.793 61.533 62.300 0.043 0.000 0.999 734 V CB 2.881 34.777 31.823 0.122 0.000 1.049 734 V HN 0.067 nan 8.190 nan 0.000 0.431 735 N N 1.938 120.590 118.700 -0.080 0.000 2.564 735 N HA 0.695 5.435 4.740 0.000 0.000 0.248 735 N C -0.068 175.392 175.510 -0.083 0.000 0.986 735 N CA 0.979 53.990 53.050 -0.065 0.000 0.921 735 N CB 1.663 40.115 38.487 -0.058 0.000 1.136 735 N HN 1.176 nan 8.380 nan 0.000 0.509 736 G N 1.384 110.168 108.800 -0.026 0.000 2.250 736 G HA2 0.207 4.167 3.960 0.000 0.000 0.252 736 G HA3 0.207 4.167 3.960 0.000 0.000 0.252 736 G C -1.239 173.684 174.900 0.039 0.000 1.325 736 G CA -0.320 44.778 45.100 -0.002 0.000 1.091 736 G HN 0.620 nan 8.290 nan 0.000 0.476 737 A N -0.270 122.586 122.820 0.060 0.000 2.545 737 A HA 0.570 4.890 4.320 0.000 0.000 0.253 737 A C 0.548 178.187 177.584 0.091 0.000 1.074 737 A CA 1.531 53.611 52.037 0.071 0.000 0.760 737 A CB -0.208 18.836 19.000 0.074 0.000 1.005 737 A HN 1.765 nan 8.150 nan 0.000 0.506 738 S N 1.066 116.810 115.700 0.072 0.000 2.672 738 S HA 0.674 5.144 4.470 0.000 0.000 0.291 738 S C 0.385 175.028 174.600 0.070 0.000 1.145 738 S CA 0.103 58.348 58.200 0.074 0.000 1.013 738 S CB 1.669 64.904 63.200 0.059 0.000 1.017 738 S HN 1.287 nan 8.310 nan 0.000 0.487 739 A N 2.587 125.461 122.820 0.089 0.000 3.044 739 A HA 0.763 5.083 4.320 0.000 0.000 0.200 739 A C -1.093 176.619 177.584 0.213 0.000 1.557 739 A CA -0.196 51.930 52.037 0.148 0.000 1.647 739 A CB -0.229 18.858 19.000 0.144 0.000 1.580 739 A HN 0.606 nan 8.150 nan 0.000 0.503 740 Y N 1.431 121.715 120.300 -0.027 0.000 2.411 740 Y HA 0.440 4.990 4.550 0.000 0.000 0.333 740 Y C 1.077 176.960 175.900 -0.027 0.000 1.186 740 Y CA -0.027 58.053 58.100 -0.034 0.000 1.381 740 Y CB 0.633 39.078 38.460 -0.025 0.000 1.273 740 Y HN 0.621 nan 8.280 nan 0.000 0.546 741 S N 1.120 116.857 115.700 0.062 0.000 2.607 741 S HA 0.713 5.183 4.470 0.000 0.000 0.273 741 S C -1.782 172.841 174.600 0.038 0.000 1.148 741 S CA -0.902 57.321 58.200 0.038 0.000 0.833 741 S CB 2.966 66.153 63.200 -0.021 0.000 1.130 741 S HN 0.485 nan 8.310 nan 0.000 0.470 742 D N 0.192 120.641 120.400 0.082 0.000 2.947 742 D HA 0.550 5.190 4.640 0.000 0.000 0.224 742 D C -1.560 174.840 176.300 0.167 0.000 1.230 742 D CA -0.355 53.736 54.000 0.151 0.000 0.871 742 D CB 1.778 42.712 40.800 0.223 0.000 1.671 742 D HN 0.763 nan 8.370 nan 0.000 0.507 743 I N 3.054 123.748 120.570 0.208 0.000 2.608 743 I HA 0.631 4.801 4.170 0.000 0.000 0.295 743 I C -1.919 174.349 176.117 0.251 0.000 1.049 743 I CA -0.862 60.551 61.300 0.189 0.000 1.063 743 I CB 1.629 39.690 38.000 0.100 0.000 1.248 743 I HN 0.455 nan 8.210 nan 0.000 0.424 744 Y N 5.252 125.595 120.300 0.072 0.000 2.480 744 Y HA 0.209 4.759 4.550 0.000 0.000 0.329 744 Y C -0.607 175.343 175.900 0.083 0.000 1.127 744 Y CA -0.594 57.517 58.100 0.018 0.000 1.037 744 Y CB 1.577 39.966 38.460 -0.117 0.000 1.320 744 Y HN 0.563 nan 8.280 nan 0.000 0.446 745 Q N 4.496 124.330 119.800 0.057 0.000 2.255 745 Q HA 0.094 4.434 4.340 0.000 0.000 0.280 745 Q C 0.107 176.235 176.000 0.214 0.000 1.068 745 Q CA 0.179 56.096 55.803 0.190 0.000 0.911 745 Q CB 0.861 29.596 28.738 -0.005 0.000 1.157 745 Q HN 0.900 nan 8.270 nan 0.000 0.380 746 L N 4.587 125.924 121.223 0.190 0.000 2.127 746 L HA 0.101 4.441 4.340 0.000 0.000 0.203 746 L C -0.302 176.594 176.870 0.043 0.000 1.080 746 L CA 1.889 56.794 54.840 0.108 0.000 0.768 746 L CB 0.207 42.320 42.059 0.090 0.000 0.924 746 L HN 0.939 nan 8.230 nan 0.000 0.444 747 D N -4.692 115.737 120.400 0.047 0.000 2.738 747 D HA 0.107 4.748 4.640 0.000 0.000 0.308 747 D C 0.676 176.956 176.300 -0.033 0.000 1.311 747 D CA 0.107 54.099 54.000 -0.012 0.000 0.799 747 D CB 0.215 41.011 40.800 -0.007 0.000 1.332 747 D HN -0.102 nan 8.370 nan 0.000 0.441 748 S N -0.776 114.881 115.700 -0.071 0.000 2.434 748 S HA -0.309 4.161 4.470 0.000 0.000 0.243 748 S C 0.788 175.420 174.600 0.052 0.000 1.045 748 S CA 1.704 59.850 58.200 -0.090 0.000 1.019 748 S CB -0.557 62.616 63.200 -0.045 0.000 0.811 748 S HN 0.583 nan 8.310 nan 0.000 0.485 749 E N 0.213 120.515 120.200 0.171 0.000 2.571 749 E HA 0.291 4.641 4.350 0.000 0.000 0.222 749 E C -0.590 176.230 176.600 0.365 0.000 0.904 749 E CA -0.111 56.466 56.400 0.295 0.000 1.157 749 E CB 0.096 29.875 29.700 0.131 0.000 1.158 749 E HN 0.589 nan 8.360 nan 0.000 0.540 750 N N 0.599 119.499 118.700 0.333 0.000 2.335 750 N HA 0.562 5.302 4.740 0.000 0.000 0.304 750 N C -1.237 174.493 175.510 0.366 0.000 1.135 750 N CA -0.418 52.793 53.050 0.268 0.000 0.817 750 N CB 2.101 40.667 38.487 0.130 0.000 1.294 750 N HN -0.001 nan 8.380 nan 0.000 0.497 751 A N 1.253 124.205 122.820 0.219 0.000 2.335 751 A HA 0.542 4.862 4.320 0.000 0.000 0.304 751 A C -0.741 176.920 177.584 0.129 0.000 1.118 751 A CA -0.557 51.599 52.037 0.199 0.000 0.757 751 A CB 0.289 19.351 19.000 0.103 0.000 1.188 751 A HN 0.754 nan 8.150 nan 0.000 0.460 752 I N 2.738 123.397 120.570 0.149 0.000 2.612 752 I HA 0.580 4.750 4.170 0.000 0.000 0.295 752 I C -0.874 175.318 176.117 0.125 0.000 1.011 752 I CA -0.330 61.047 61.300 0.128 0.000 1.326 752 I CB 1.336 39.423 38.000 0.144 0.000 1.427 752 I HN 0.370 nan 8.210 nan 0.000 0.537 753 V N 7.996 127.968 119.914 0.096 0.000 2.760 753 V HA 0.461 4.582 4.120 0.000 0.000 0.309 753 V C -0.601 175.527 176.094 0.058 0.000 1.077 753 V CA -0.627 61.719 62.300 0.076 0.000 0.910 753 V CB 1.903 33.751 31.823 0.043 0.000 1.008 753 V HN 0.565 nan 8.190 nan 0.000 0.424 754 I N 5.498 126.106 120.570 0.064 0.000 2.478 754 I HA 0.786 4.956 4.170 0.000 0.000 0.287 754 I C -1.128 175.018 176.117 0.048 0.000 1.042 754 I CA -0.402 60.923 61.300 0.041 0.000 1.067 754 I CB 1.555 39.594 38.000 0.065 0.000 1.233 754 I HN 0.515 nan 8.210 nan 0.000 0.431 755 V N 4.076 124.003 119.914 0.022 0.000 3.167 755 V HA 0.585 4.705 4.120 0.000 0.000 0.310 755 V C -0.839 175.273 176.094 0.030 0.000 1.207 755 V CA -0.959 61.364 62.300 0.039 0.000 1.059 755 V CB 1.959 33.806 31.823 0.040 0.000 1.079 755 V HN 0.688 nan 8.190 nan 0.000 0.446 756 E N 0.712 120.942 120.200 0.050 0.000 2.179 756 E HA 0.672 5.022 4.350 0.000 0.000 0.275 756 E C -0.228 176.404 176.600 0.055 0.000 0.945 756 E CA -0.330 56.089 56.400 0.033 0.000 0.792 756 E CB 2.257 31.964 29.700 0.012 0.000 1.125 756 E HN 0.947 nan 8.360 nan 0.000 0.397 757 T N -1.740 112.848 114.554 0.057 0.000 1.910 757 T HA 0.056 4.406 4.350 0.000 0.000 0.167 757 T C -0.252 174.502 174.700 0.090 0.000 0.725 757 T CA -0.524 61.641 62.100 0.108 0.000 0.928 757 T CB -0.543 68.448 68.868 0.205 0.000 3.095 757 T HN 0.512 nan 8.240 nan 0.000 0.393 758 D N 1.957 122.428 120.400 0.118 0.000 2.417 758 D HA 0.065 4.705 4.640 0.000 0.000 0.250 758 D C 0.212 176.541 176.300 0.047 0.000 1.166 758 D CA 0.012 54.063 54.000 0.085 0.000 0.881 758 D CB -0.106 40.758 40.800 0.106 0.000 1.164 758 D HN 0.694 nan 8.370 nan 0.000 0.467 759 N N 1.688 120.407 118.700 0.031 0.000 2.708 759 N HA -0.292 4.448 4.740 0.000 0.000 0.249 759 N C -0.442 175.067 175.510 -0.001 0.000 1.097 759 N CA 0.842 53.899 53.050 0.012 0.000 0.710 759 N CB -0.758 37.737 38.487 0.012 0.000 1.032 759 N HN 0.598 nan 8.380 nan 0.000 0.551 760 S N -2.383 113.317 115.700 -0.000 0.000 2.929 760 S HA -0.208 4.262 4.470 0.000 0.000 0.271 760 S C 0.170 174.761 174.600 -0.014 0.000 1.295 760 S CA 1.033 59.221 58.200 -0.020 0.000 1.277 760 S CB -0.766 62.401 63.200 -0.055 0.000 1.557 760 S HN 0.602 nan 8.310 nan 0.000 0.666 761 N N 1.228 119.927 118.700 -0.001 0.000 2.225 761 N HA 0.104 4.844 4.740 0.000 0.000 0.257 761 N C -0.109 175.392 175.510 -0.016 0.000 1.252 761 N CA 1.048 54.094 53.050 -0.007 0.000 0.833 761 N CB 0.042 38.524 38.487 -0.008 0.000 1.068 761 N HN 0.504 nan 8.380 nan 0.000 0.468 762 M N 2.834 122.429 119.600 -0.008 0.000 2.080 762 M HA 0.272 4.752 4.480 0.000 0.000 0.350 762 M C 0.417 176.647 176.300 -0.116 0.000 1.173 762 M CA -0.163 55.131 55.300 -0.011 0.000 1.052 762 M CB 1.153 33.815 32.600 0.103 0.000 1.577 762 M HN 0.161 nan 8.290 nan 0.000 0.455 763 R N 2.225 122.627 120.500 -0.162 0.000 2.720 763 R HA 0.681 5.021 4.340 0.000 0.000 0.272 763 R C -0.784 175.388 176.300 -0.213 0.000 0.991 763 R CA -0.852 55.083 56.100 -0.275 0.000 1.010 763 R CB 1.696 31.697 30.300 -0.498 0.000 1.141 763 R HN 0.529 nan 8.270 nan 0.000 0.494 764 I N 3.198 123.638 120.570 -0.217 0.000 2.412 764 I HA 0.362 4.532 4.170 0.000 0.000 0.296 764 I C -0.402 175.683 176.117 -0.053 0.000 0.987 764 I CA -0.467 60.771 61.300 -0.102 0.000 1.180 764 I CB 1.411 39.384 38.000 -0.044 0.000 1.340 764 I HN 0.396 nan 8.210 nan 0.000 0.455 765 L N 6.241 127.466 121.223 0.003 0.000 2.385 765 L HA 0.556 4.896 4.340 0.000 0.000 0.273 765 L C 0.020 176.918 176.870 0.047 0.000 0.990 765 L CA -0.824 54.031 54.840 0.025 0.000 0.821 765 L CB 1.869 43.947 42.059 0.033 0.000 1.279 765 L HN 0.445 nan 8.230 nan 0.000 0.412 766 R N 3.759 124.284 120.500 0.043 0.000 2.666 766 R HA 0.440 4.780 4.340 0.000 0.000 0.275 766 R C -0.886 175.433 176.300 0.032 0.000 1.266 766 R CA -0.689 55.438 56.100 0.044 0.000 1.401 766 R CB 0.599 30.919 30.300 0.034 0.000 1.145 766 R HN 0.491 nan 8.270 nan 0.000 0.581 767 M N 3.690 123.309 119.600 0.032 0.000 2.211 767 M HA 0.240 4.720 4.480 0.000 0.000 0.356 767 M C -2.100 174.206 176.300 0.011 0.000 1.216 767 M CA -2.865 52.443 55.300 0.012 0.000 1.134 767 M CB 0.625 33.222 32.600 -0.005 0.000 1.564 767 M HN 0.068 nan 8.290 nan 0.000 0.463 768 P HA 0.227 nan 4.420 nan 0.000 0.245 768 P C 0.586 177.865 177.300 -0.035 0.000 1.740 768 P CA -0.356 62.730 63.100 -0.022 0.000 1.125 768 P CB 0.266 31.921 31.700 -0.075 0.000 1.747 769 I N 1.394 121.932 120.570 -0.054 0.000 2.361 769 I HA -0.150 4.020 4.170 0.000 0.000 0.251 769 I C 2.203 178.349 176.117 0.049 0.000 1.133 769 I CA 1.509 62.761 61.300 -0.080 0.000 1.413 769 I CB -1.773 35.868 38.000 -0.600 0.000 1.073 769 I HN 0.178 nan 8.210 nan 0.000 0.424 770 T N 1.456 116.061 114.554 0.085 0.000 2.708 770 T HA -0.088 4.262 4.350 0.000 0.000 0.266 770 T C 2.069 176.764 174.700 -0.009 0.000 1.037 770 T CA 1.236 63.417 62.100 0.135 0.000 1.146 770 T CB -0.054 68.907 68.868 0.154 0.000 0.865 770 T HN 0.216 nan 8.240 nan 0.000 0.435 771 L N 0.259 121.389 121.223 -0.155 0.000 2.023 771 L HA 0.041 4.381 4.340 0.000 0.000 0.205 771 L C 2.507 179.314 176.870 -0.105 0.000 1.073 771 L CA 1.067 55.675 54.840 -0.386 0.000 0.745 771 L CB -0.717 40.734 42.059 -1.014 0.000 0.900 771 L HN 0.234 nan 8.230 nan 0.000 0.435 772 L N 0.447 121.643 121.223 -0.045 0.000 2.127 772 L HA -0.224 4.116 4.340 0.000 0.000 0.211 772 L C 2.687 179.545 176.870 -0.019 0.000 1.089 772 L CA 1.355 56.229 54.840 0.056 0.000 0.757 772 L CB -0.645 41.486 42.059 0.121 0.000 0.899 772 L HN 0.283 nan 8.230 nan 0.000 0.434 773 K N 0.699 121.048 120.400 -0.086 0.000 2.044 773 K HA -0.280 4.040 4.320 0.000 0.000 0.210 773 K C 2.068 178.510 176.600 -0.262 0.000 1.049 773 K CA 1.851 57.925 56.287 -0.355 0.000 0.927 773 K CB -0.252 32.097 32.500 -0.252 0.000 0.713 773 K HN 0.281 nan 8.250 nan 0.000 0.443 774 Q N 0.311 120.050 119.800 -0.103 0.000 2.308 774 Q HA -0.166 4.174 4.340 0.000 0.000 0.209 774 Q C 1.579 177.547 176.000 -0.054 0.000 0.985 774 Q CA 1.798 57.568 55.803 -0.054 0.000 0.881 774 Q CB -0.058 28.720 28.738 0.068 0.000 0.917 774 Q HN 0.376 nan 8.270 nan 0.000 0.443 775 K N -0.152 120.224 120.400 -0.040 0.000 2.515 775 K HA -0.088 4.232 4.320 0.000 0.000 0.196 775 K C 1.183 177.734 176.600 -0.082 0.000 1.038 775 K CA 0.664 56.925 56.287 -0.044 0.000 0.967 775 K CB 0.233 32.720 32.500 -0.022 0.000 0.780 775 K HN 0.192 nan 8.250 nan 0.000 0.483 776 L N -1.453 119.687 121.223 -0.138 0.000 2.717 776 L HA 0.062 4.402 4.340 0.000 0.000 0.239 776 L C 1.631 178.396 176.870 -0.175 0.000 1.086 776 L CA 0.358 55.114 54.840 -0.139 0.000 0.897 776 L CB 0.493 42.456 42.059 -0.160 0.000 1.214 776 L HN -0.107 nan 8.230 nan 0.000 0.508 777 T N 1.028 115.443 114.554 -0.232 0.000 3.081 777 T HA 0.230 4.580 4.350 0.000 0.000 0.255 777 T C 0.774 175.379 174.700 -0.159 0.000 1.113 777 T CA 0.323 62.267 62.100 -0.259 0.000 1.082 777 T CB -0.061 68.606 68.868 -0.335 0.000 0.939 777 T HN -0.022 nan 8.240 nan 0.000 0.506 778 L N 1.337 122.494 121.223 -0.111 0.000 2.350 778 L HA 0.495 4.835 4.340 0.000 0.000 0.275 778 L C 0.334 177.167 176.870 -0.062 0.000 1.099 778 L CA -0.479 54.315 54.840 -0.075 0.000 0.808 778 L CB 0.998 43.024 42.059 -0.056 0.000 1.149 778 L HN -0.026 nan 8.230 nan 0.000 0.442 779 S N 2.725 118.395 115.700 -0.051 0.000 2.530 779 S HA 0.431 4.902 4.470 0.000 0.000 0.322 779 S C -0.756 173.826 174.600 -0.029 0.000 1.085 779 S CA -0.735 57.441 58.200 -0.039 0.000 1.096 779 S CB 0.773 63.950 63.200 -0.039 0.000 0.988 779 S HN 0.632 nan 8.310 nan 0.000 0.466 780 Q N 3.798 123.583 119.800 -0.025 0.000 2.394 780 Q HA 0.605 4.945 4.340 0.000 0.000 0.273 780 Q C -1.008 174.983 176.000 -0.015 0.000 1.089 780 Q CA -1.145 54.647 55.803 -0.019 0.000 0.812 780 Q CB 1.856 30.583 28.738 -0.019 0.000 1.353 780 Q HN 0.749 nan 8.270 nan 0.000 0.438 781 N N 0.000 118.693 118.700 -0.011 0.000 1.763 781 N HA 0.000 4.740 4.740 0.000 0.000 0.220 781 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 781 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 781 N HN 0.000 nan 8.380 nan 0.000 0.667