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 1w0p_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 KLT 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 0.000 177.323 177.584 -0.435 0.000 1.274 25 A CA 0.000 51.878 52.037 -0.264 0.000 0.836 25 A CB 0.000 18.854 19.000 -0.244 0.000 0.831 26 L N 1.471 122.325 121.223 -0.615 0.000 2.341 26 L HA 0.939 5.279 4.340 0.000 0.000 0.278 26 L C -1.742 174.635 176.870 -0.821 0.000 1.005 26 L CA -0.411 54.121 54.840 -0.515 0.000 0.818 26 L CB 1.036 42.935 42.059 -0.267 0.000 1.259 26 L HN 0.519 nan 8.230 nan 0.000 0.418 27 F N 4.349 124.244 119.950 -0.091 0.000 2.445 27 F HA 0.571 5.098 4.527 0.000 0.000 0.348 27 F C -0.298 175.549 175.800 0.079 0.000 1.125 27 F CA -0.724 57.125 58.000 -0.252 0.000 0.983 27 F CB 1.377 40.018 39.000 -0.598 0.000 1.198 27 F HN 0.575 nan 8.300 nan 0.000 0.436 28 D N 1.369 121.952 120.400 0.304 0.000 2.626 28 D HA 0.360 5.001 4.640 0.000 0.000 0.278 28 D C -2.032 174.638 176.300 0.617 0.000 1.211 28 D CA -0.677 53.587 54.000 0.441 0.000 0.903 28 D CB 2.044 42.931 40.800 0.145 0.000 1.408 28 D HN 0.312 nan 8.370 nan 0.000 0.454 29 Y N 0.177 120.565 120.300 0.147 0.000 2.386 29 Y HA 0.548 5.098 4.550 0.000 0.000 0.334 29 Y C -1.822 173.996 175.900 -0.136 0.000 1.002 29 Y CA -0.753 57.320 58.100 -0.045 0.000 1.068 29 Y CB 1.648 39.813 38.460 -0.492 0.000 1.203 29 Y HN 0.350 nan 8.280 nan 0.000 0.443 30 N N 4.347 122.534 118.700 -0.856 0.000 2.442 30 N HA 0.641 5.381 4.740 0.000 0.000 0.274 30 N C -1.126 173.833 175.510 -0.919 0.000 1.002 30 N CA -0.645 51.991 53.050 -0.690 0.000 0.910 30 N CB 1.994 40.267 38.487 -0.356 0.000 1.244 30 N HN 0.753 nan 8.380 nan 0.000 0.492 31 A N 1.724 124.085 122.820 -0.766 0.000 2.492 31 A HA 0.486 4.806 4.320 0.000 0.000 0.254 31 A C 0.417 177.935 177.584 -0.110 0.000 1.091 31 A CA 0.396 52.236 52.037 -0.329 0.000 0.768 31 A CB 0.071 19.101 19.000 0.050 0.000 1.028 31 A HN 0.526 nan 8.150 nan 0.000 0.498 32 T N 0.785 115.351 114.554 0.020 0.000 2.853 32 T HA 0.539 4.889 4.350 0.000 0.000 0.311 32 T C 0.896 175.675 174.700 0.133 0.000 1.307 32 T CA 0.254 62.390 62.100 0.060 0.000 1.019 32 T CB 1.302 70.199 68.868 0.048 0.000 1.264 32 T HN 0.997 nan 8.240 nan 0.000 0.497 33 G N 0.988 109.852 108.800 0.106 0.000 2.939 33 G HA2 0.153 4.113 3.960 0.000 0.000 0.210 33 G HA3 0.153 4.113 3.960 0.000 0.000 0.210 33 G C 0.096 175.059 174.900 0.104 0.000 1.160 33 G CA -0.157 45.010 45.100 0.112 0.000 0.770 33 G HN 0.745 nan 8.290 nan 0.000 0.543 34 D N 1.375 121.841 120.400 0.110 0.000 2.472 34 D HA 0.045 4.685 4.640 0.000 0.000 0.248 34 D C 1.470 177.820 176.300 0.082 0.000 1.174 34 D CA 0.347 54.408 54.000 0.101 0.000 0.883 34 D CB 1.348 42.239 40.800 0.153 0.000 1.149 34 D HN -0.038 nan 8.370 nan 0.000 0.488 35 T N 2.441 117.015 114.554 0.034 0.000 2.653 35 T HA -0.280 4.070 4.350 0.000 0.000 0.268 35 T C 1.667 176.323 174.700 -0.073 0.000 1.035 35 T CA 1.560 63.663 62.100 0.004 0.000 1.154 35 T CB -0.055 68.807 68.868 -0.010 0.000 0.862 35 T HN 0.563 nan 8.240 nan 0.000 0.441 36 E N -0.137 119.939 120.200 -0.207 0.000 2.267 36 E HA -0.109 4.241 4.350 0.000 0.000 0.197 36 E C 0.210 176.364 176.600 -0.744 0.000 0.998 36 E CA 0.861 56.939 56.400 -0.537 0.000 0.830 36 E CB 0.010 29.234 29.700 -0.792 0.000 0.751 36 E HN 0.580 nan 8.360 nan 0.000 0.491 37 F N 0.200 120.184 119.950 0.057 0.000 2.815 37 F HA 0.149 4.676 4.527 0.000 0.000 0.335 37 F C 0.066 175.928 175.800 0.103 0.000 1.179 37 F CA -0.668 57.374 58.000 0.070 0.000 1.204 37 F CB 0.666 39.694 39.000 0.047 0.000 1.050 37 F HN -0.053 nan 8.300 nan 0.000 0.510 38 D N -0.579 119.948 120.400 0.212 0.000 2.332 38 D HA 0.091 4.731 4.640 0.000 0.000 0.244 38 D C 0.421 176.901 176.300 0.301 0.000 1.136 38 D CA 0.474 54.620 54.000 0.244 0.000 0.884 38 D CB 0.280 41.194 40.800 0.190 0.000 0.906 38 D HN 0.101 nan 8.370 nan 0.000 0.520 39 S N -1.292 114.531 115.700 0.205 0.000 2.552 39 S HA 0.413 4.883 4.470 0.000 0.000 0.272 39 S C -2.491 171.918 174.600 -0.319 0.000 1.150 39 S CA -1.169 56.964 58.200 -0.111 0.000 0.849 39 S CB 1.688 64.836 63.200 -0.087 0.000 1.113 39 S HN -0.283 nan 8.310 nan 0.000 0.458 40 P HA 0.049 nan 4.420 nan 0.000 0.220 40 P C 1.250 178.256 177.300 -0.490 0.000 1.148 40 P CA 1.527 63.937 63.100 -1.149 0.000 0.803 40 P CB 0.028 30.134 31.700 -2.658 0.000 0.782 41 A N 0.020 122.537 122.820 -0.505 0.000 1.972 41 A HA -0.187 4.133 4.320 0.000 0.000 0.219 41 A C 1.908 179.523 177.584 0.052 0.000 1.169 41 A CA 1.496 53.513 52.037 -0.033 0.000 0.635 41 A CB -0.899 18.166 19.000 0.108 0.000 0.810 41 A HN 0.189 nan 8.150 nan 0.000 0.446 42 K N -0.665 119.773 120.400 0.064 0.000 2.444 42 K HA 0.073 4.393 4.320 0.000 0.000 0.193 42 K C 0.689 177.464 176.600 0.293 0.000 1.024 42 K CA 0.386 56.762 56.287 0.149 0.000 1.077 42 K CB 0.192 32.767 32.500 0.124 0.000 0.833 42 K HN 0.540 nan 8.250 nan 0.000 0.517 43 Q N -0.488 119.486 119.800 0.289 0.000 2.157 43 Q HA 0.143 4.483 4.340 0.000 0.000 0.229 43 Q C 0.328 176.515 176.000 0.312 0.000 0.827 43 Q CA 0.002 56.020 55.803 0.359 0.000 1.055 43 Q CB 1.440 30.454 28.738 0.460 0.000 1.157 43 Q HN 0.437 nan 8.270 nan 0.000 0.482 44 G N 0.290 109.191 108.800 0.168 0.000 2.175 44 G HA2 -0.230 3.730 3.960 0.000 0.000 0.244 44 G HA3 -0.230 3.730 3.960 0.000 0.000 0.244 44 G C -0.393 174.351 174.900 -0.259 0.000 0.982 44 G CA -0.337 44.741 45.100 -0.036 0.000 0.641 44 G HN 0.289 nan 8.290 nan 0.000 0.527 45 W N 0.592 121.901 121.300 0.014 0.000 2.303 45 W HA 0.785 5.445 4.660 0.000 0.000 0.334 45 W C 0.789 177.370 176.519 0.103 0.000 1.197 45 W CA -0.782 56.589 57.345 0.042 0.000 1.262 45 W CB 0.592 30.069 29.460 0.028 0.000 1.153 45 W HN -0.006 nan 8.180 nan 0.000 0.596 46 M N 1.932 121.736 119.600 0.340 0.000 2.205 46 M HA 0.197 4.677 4.480 0.000 0.000 0.344 46 M C -0.045 176.334 176.300 0.131 0.000 1.085 46 M CA -0.814 54.604 55.300 0.196 0.000 1.001 46 M CB 1.561 34.163 32.600 0.004 0.000 1.626 46 M HN 0.444 nan 8.290 nan 0.000 0.442 47 Q N 2.133 121.878 119.800 -0.091 0.000 2.311 47 Q HA 0.021 4.361 4.340 0.000 0.000 0.272 47 Q C -1.084 174.654 176.000 -0.438 0.000 1.012 47 Q CA 0.606 55.988 55.803 -0.702 0.000 0.891 47 Q CB 0.633 29.000 28.738 -0.618 0.000 1.201 47 Q HN 0.607 nan 8.270 nan 0.000 0.391 48 D N 3.629 123.716 120.400 -0.522 0.000 2.552 48 D HA 0.244 4.884 4.640 0.000 0.000 0.285 48 D C -1.268 174.850 176.300 -0.304 0.000 1.206 48 D CA -0.431 53.380 54.000 -0.316 0.000 0.826 48 D CB 0.169 40.828 40.800 -0.235 0.000 1.179 48 D HN 0.457 nan 8.370 nan 0.000 0.508 49 N N 0.184 118.717 118.700 -0.278 0.000 2.518 49 N HA 0.611 5.351 4.740 0.000 0.000 0.284 49 N C -0.251 175.177 175.510 -0.137 0.000 1.230 49 N CA -0.437 52.486 53.050 -0.213 0.000 0.941 49 N CB 1.574 39.933 38.487 -0.213 0.000 1.219 49 N HN 0.353 nan 8.380 nan 0.000 0.560 50 T N -2.651 111.841 114.554 -0.104 0.000 2.900 50 T HA 0.432 4.782 4.350 0.000 0.000 0.303 50 T C 0.378 175.043 174.700 -0.058 0.000 1.142 50 T CA -0.672 61.384 62.100 -0.074 0.000 1.007 50 T CB 1.900 70.731 68.868 -0.062 0.000 1.156 50 T HN 0.483 nan 8.240 nan 0.000 0.490 51 N N 1.878 120.550 118.700 -0.046 0.000 1.276 51 N HA -0.244 4.497 4.740 0.000 0.000 0.137 51 N C 0.582 176.071 175.510 -0.035 0.000 0.642 51 N CA 1.779 54.807 53.050 -0.036 0.000 0.986 51 N CB -1.246 37.223 38.487 -0.030 0.000 1.277 51 N HN 0.852 nan 8.380 nan 0.000 0.495 52 N N 2.087 120.769 118.700 -0.030 0.000 2.383 52 N HA 0.098 4.838 4.740 0.000 0.000 0.192 52 N C 0.646 176.139 175.510 -0.029 0.000 1.141 52 N CA 0.530 53.565 53.050 -0.025 0.000 0.851 52 N CB -0.175 38.301 38.487 -0.018 0.000 0.976 52 N HN 0.471 nan 8.380 nan 0.000 0.465 53 G N 0.163 108.938 108.800 -0.042 0.000 2.380 53 G HA2 0.287 4.247 3.960 0.000 0.000 0.242 53 G HA3 0.287 4.247 3.960 0.000 0.000 0.242 53 G C 0.048 174.916 174.900 -0.052 0.000 1.298 53 G CA 0.183 45.252 45.100 -0.052 0.000 0.878 53 G HN 0.143 nan 8.290 nan 0.000 0.542 54 S N -0.017 115.666 115.700 -0.029 0.000 2.873 54 S HA 0.896 5.366 4.470 0.000 0.000 0.303 54 S C -0.248 174.394 174.600 0.071 0.000 1.222 54 S CA 0.181 58.384 58.200 0.006 0.000 0.923 54 S CB 1.258 64.465 63.200 0.013 0.000 1.286 54 S HN 1.778 nan 8.310 nan 0.000 0.571 55 G N -0.419 108.456 108.800 0.126 0.000 2.601 55 G HA2 0.612 4.572 3.960 0.000 0.000 0.291 55 G HA3 0.612 4.572 3.960 0.000 0.000 0.291 55 G C -1.932 172.804 174.900 -0.274 0.000 1.456 55 G CA 0.136 45.279 45.100 0.071 0.000 0.804 55 G HN 1.319 nan 8.290 nan 0.000 0.499 56 V N 0.327 119.651 119.914 -0.984 0.000 3.167 56 V HA 0.662 4.782 4.120 0.000 0.000 0.293 56 V C -1.432 174.027 176.094 -1.059 0.000 1.379 56 V CA -0.842 60.932 62.300 -0.876 0.000 1.019 56 V CB 2.005 33.635 31.823 -0.321 0.000 1.115 56 V HN 1.111 nan 8.190 nan 0.000 0.442 57 L N 4.287 125.177 121.223 -0.555 0.000 2.360 57 L HA 0.677 5.017 4.340 0.000 0.000 0.276 57 L C 0.266 177.093 176.870 -0.071 0.000 1.121 57 L CA 1.237 56.003 54.840 -0.125 0.000 0.845 57 L CB 1.250 43.418 42.059 0.182 0.000 1.143 57 L HN 0.915 nan 8.230 nan 0.000 0.452 58 T N 3.660 118.209 114.554 -0.008 0.000 2.912 58 T HA 0.586 4.936 4.350 0.000 0.000 0.288 58 T C -0.650 174.089 174.700 0.065 0.000 1.030 58 T CA -0.690 61.420 62.100 0.018 0.000 1.020 58 T CB 0.671 69.549 68.868 0.016 0.000 1.056 58 T HN 0.754 nan 8.240 nan 0.000 0.480 59 N N 1.855 120.587 118.700 0.053 0.000 2.342 59 N HA 0.707 5.447 4.740 0.000 0.000 0.293 59 N C 0.016 175.559 175.510 0.055 0.000 1.026 59 N CA -0.674 52.409 53.050 0.055 0.000 0.857 59 N CB 2.036 40.549 38.487 0.043 0.000 1.256 59 N HN 0.703 nan 8.380 nan 0.000 0.484 60 A N 1.117 123.973 122.820 0.061 0.000 2.385 60 A HA 0.288 4.608 4.320 0.000 0.000 0.209 60 A C -0.232 177.377 177.584 0.043 0.000 2.123 60 A CA -0.169 51.907 52.037 0.064 0.000 1.674 60 A CB 0.075 19.141 19.000 0.110 0.000 1.212 60 A HN 0.565 nan 8.150 nan 0.000 0.422 61 D N 0.861 121.284 120.400 0.038 0.000 3.038 61 D HA 0.368 5.008 4.640 0.000 0.000 0.243 61 D C 0.885 177.186 176.300 0.001 0.000 1.245 61 D CA 1.012 55.023 54.000 0.018 0.000 0.871 61 D CB -0.224 40.585 40.800 0.015 0.000 1.089 61 D HN 0.923 nan 8.370 nan 0.000 0.464 62 G N 1.008 109.812 108.800 0.007 0.000 2.162 62 G HA2 -0.318 3.643 3.960 0.000 0.000 0.260 62 G HA3 -0.318 3.643 3.960 0.000 0.000 0.260 62 G C 0.378 175.273 174.900 -0.009 0.000 0.976 62 G CA -0.062 45.038 45.100 0.001 0.000 0.655 62 G HN 0.382 nan 8.290 nan 0.000 0.533 63 M N 1.952 121.542 119.600 -0.017 0.000 2.085 63 M HA 0.331 4.811 4.480 0.000 0.000 0.309 63 M C -2.234 174.060 176.300 -0.011 0.000 0.947 63 M CA -1.812 53.463 55.300 -0.041 0.000 0.918 63 M CB 2.239 34.775 32.600 -0.106 0.000 1.504 63 M HN -0.019 nan 8.290 nan 0.000 0.420 64 P HA 0.422 nan 4.420 nan 0.000 0.270 64 P C -1.172 176.188 177.300 0.101 0.000 1.223 64 P CA -0.183 62.960 63.100 0.071 0.000 0.785 64 P CB 1.091 32.842 31.700 0.085 0.000 0.923 65 A N 1.844 124.777 122.820 0.188 0.000 2.606 65 A HA 0.453 4.773 4.320 0.000 0.000 0.293 65 A C -1.833 175.989 177.584 0.397 0.000 1.082 65 A CA -0.723 51.494 52.037 0.299 0.000 0.685 65 A CB 1.244 20.441 19.000 0.328 0.000 1.284 65 A HN 0.658 nan 8.150 nan 0.000 0.408 66 W N 3.231 124.768 121.300 0.395 0.000 2.335 66 W HA 0.532 5.192 4.660 0.000 0.000 0.307 66 W C -1.687 175.078 176.519 0.410 0.000 1.117 66 W CA -0.521 57.050 57.345 0.377 0.000 1.228 66 W CB 1.358 31.024 29.460 0.345 0.000 1.240 66 W HN 0.626 nan 8.180 nan 0.000 0.468 67 L N 8.041 129.095 121.223 -0.282 0.000 2.261 67 L HA 0.272 4.612 4.340 0.000 0.000 0.289 67 L C -0.616 176.200 176.870 -0.089 0.000 1.059 67 L CA -0.168 54.621 54.840 -0.084 0.000 0.816 67 L CB 0.989 42.970 42.059 -0.131 0.000 1.191 67 L HN 0.138 nan 8.230 nan 0.000 0.431 68 V N 5.883 125.961 119.914 0.272 0.000 2.432 68 V HA 0.249 4.370 4.120 0.000 0.000 0.271 68 V C 0.095 176.278 176.094 0.148 0.000 1.046 68 V CA -0.340 62.140 62.300 0.300 0.000 0.945 68 V CB 0.918 33.003 31.823 0.438 0.000 0.992 68 V HN 0.742 nan 8.190 nan 0.000 0.471 69 Q N 3.687 123.532 119.800 0.076 0.000 2.563 69 Q HA 0.402 4.742 4.340 0.000 0.000 0.232 69 Q C 0.764 176.777 176.000 0.021 0.000 1.106 69 Q CA -0.222 55.601 55.803 0.034 0.000 0.913 69 Q CB 1.315 30.054 28.738 0.003 0.000 1.175 69 Q HN 0.888 nan 8.270 nan 0.000 0.540 70 G N 3.517 112.334 108.800 0.029 0.000 3.943 70 G HA2 0.241 4.201 3.960 0.000 0.000 0.275 70 G HA3 0.241 4.201 3.960 0.000 0.000 0.275 70 G C 0.242 175.144 174.900 0.003 0.000 1.234 70 G CA -0.253 44.852 45.100 0.009 0.000 1.522 70 G HN 0.534 nan 8.290 nan 0.000 0.636 71 I N -1.631 118.938 120.570 -0.000 0.000 2.312 71 I HA 0.641 4.811 4.170 0.000 0.000 0.290 71 I C 0.809 176.920 176.117 -0.009 0.000 1.008 71 I CA -0.796 60.502 61.300 -0.003 0.000 1.226 71 I CB 0.516 38.516 38.000 -0.001 0.000 1.371 71 I HN 0.384 nan 8.210 nan 0.000 0.468 72 G N 3.639 112.433 108.800 -0.011 0.000 2.198 72 G HA2 0.155 4.115 3.960 0.000 0.000 0.257 72 G HA3 0.155 4.115 3.960 0.000 0.000 0.257 72 G C 0.347 175.235 174.900 -0.020 0.000 1.042 72 G CA 0.128 45.219 45.100 -0.014 0.000 0.791 72 G HN 2.052 nan 8.290 nan 0.000 0.502 73 G N -1.749 107.037 108.800 -0.022 0.000 2.339 73 G HA2 0.559 4.519 3.960 0.000 0.000 0.302 73 G HA3 0.559 4.519 3.960 0.000 0.000 0.302 73 G C -0.628 174.250 174.900 -0.038 0.000 1.425 73 G CA 0.016 45.097 45.100 -0.032 0.000 0.899 73 G HN 0.803 nan 8.290 nan 0.000 0.619 74 R N -0.168 120.301 120.500 -0.052 0.000 2.490 74 R HA 0.684 5.024 4.340 0.000 0.000 0.278 74 R C -0.151 176.089 176.300 -0.100 0.000 1.069 74 R CA 0.225 56.287 56.100 -0.064 0.000 1.080 74 R CB 1.034 31.293 30.300 -0.069 0.000 1.030 74 R HN 1.355 nan 8.270 nan 0.000 0.491 75 A N 5.048 127.802 122.820 -0.110 0.000 2.569 75 A HA 0.291 4.611 4.320 0.000 0.000 0.282 75 A C -1.303 176.132 177.584 -0.248 0.000 1.165 75 A CA -0.710 51.222 52.037 -0.176 0.000 0.747 75 A CB 1.013 19.966 19.000 -0.079 0.000 1.215 75 A HN 0.838 nan 8.150 nan 0.000 0.431 76 Q N 0.859 120.391 119.800 -0.448 0.000 2.590 76 Q HA 0.733 5.073 4.340 0.000 0.000 0.295 76 Q C -1.849 173.617 176.000 -0.891 0.000 0.973 76 Q CA -0.895 54.586 55.803 -0.536 0.000 0.768 76 Q CB 1.421 29.996 28.738 -0.271 0.000 1.479 76 Q HN 0.577 nan 8.270 nan 0.000 0.419 77 W N 0.991 121.809 121.300 -0.803 0.000 2.736 77 W HA 0.627 5.287 4.660 0.000 0.000 0.335 77 W C -0.619 175.711 176.519 -0.316 0.000 1.059 77 W CA -0.350 56.551 57.345 -0.741 0.000 1.226 77 W CB 2.550 31.125 29.460 -1.475 0.000 1.416 77 W HN 0.784 nan 8.180 nan 0.000 0.505 78 T N -0.611 114.099 114.554 0.260 0.000 2.906 78 T HA 0.637 4.988 4.350 0.000 0.000 0.295 78 T C -1.907 172.966 174.700 0.288 0.000 1.075 78 T CA -0.740 61.520 62.100 0.267 0.000 1.005 78 T CB 2.175 71.063 68.868 0.032 0.000 1.136 78 T HN 0.313 nan 8.240 nan 0.000 0.498 79 Y N 0.720 121.001 120.300 -0.032 0.000 2.354 79 Y HA 0.591 5.141 4.550 0.000 0.000 0.330 79 Y C -0.530 175.193 175.900 -0.295 0.000 1.011 79 Y CA -0.692 57.199 58.100 -0.349 0.000 1.099 79 Y CB 2.254 40.206 38.460 -0.847 0.000 1.179 79 Y HN 0.922 nan 8.280 nan 0.000 0.442 80 S N 5.799 121.416 115.700 -0.139 0.000 2.554 80 S HA 0.676 5.146 4.470 0.000 0.000 0.278 80 S C -0.699 173.874 174.600 -0.045 0.000 1.242 80 S CA -0.616 57.547 58.200 -0.062 0.000 1.051 80 S CB 0.679 63.830 63.200 -0.083 0.000 0.986 80 S HN 0.555 nan 8.310 nan 0.000 0.502 81 L N 1.974 123.152 121.223 -0.074 0.000 2.333 81 L HA 0.532 4.872 4.340 0.000 0.000 0.269 81 L C 0.638 177.496 176.870 -0.019 0.000 1.010 81 L CA -0.814 53.891 54.840 -0.225 0.000 0.818 81 L CB 1.945 43.571 42.059 -0.722 0.000 1.306 81 L HN 0.735 nan 8.230 nan 0.000 0.430 82 S N -0.701 114.996 115.700 -0.005 0.000 2.600 82 S HA 0.101 4.571 4.470 0.000 0.000 0.265 82 S C 0.965 175.668 174.600 0.172 0.000 1.325 82 S CA -0.314 57.934 58.200 0.080 0.000 1.002 82 S CB 1.145 64.384 63.200 0.065 0.000 0.921 82 S HN 0.658 nan 8.310 nan 0.000 0.554 83 T N 2.034 116.683 114.554 0.158 0.000 2.803 83 T HA -0.110 4.240 4.350 0.000 0.000 0.269 83 T C 1.487 176.288 174.700 0.168 0.000 1.052 83 T CA 1.999 64.202 62.100 0.173 0.000 1.136 83 T CB -0.713 68.212 68.868 0.096 0.000 0.864 83 T HN 0.689 nan 8.240 nan 0.000 0.467 84 N N 1.116 119.892 118.700 0.126 0.000 2.188 84 N HA -0.037 4.703 4.740 0.000 0.000 0.184 84 N C 2.048 177.639 175.510 0.134 0.000 1.018 84 N CA 0.885 54.007 53.050 0.121 0.000 0.858 84 N CB -0.205 38.340 38.487 0.096 0.000 0.989 84 N HN 0.502 nan 8.380 nan 0.000 0.426 85 Q N -0.635 119.223 119.800 0.098 0.000 2.083 85 Q HA -0.072 4.268 4.340 0.000 0.000 0.198 85 Q C 1.493 177.536 176.000 0.072 0.000 0.969 85 Q CA 1.146 56.987 55.803 0.064 0.000 0.838 85 Q CB -0.176 28.543 28.738 -0.033 0.000 0.900 85 Q HN 0.600 nan 8.270 nan 0.000 0.436 86 H N 0.162 119.315 119.070 0.138 0.000 2.353 86 H HA -0.081 4.476 4.556 0.000 0.000 0.300 86 H C 2.041 177.489 175.328 0.201 0.000 1.090 86 H CA 1.338 57.501 56.048 0.191 0.000 1.327 86 H CB -0.002 29.837 29.762 0.129 0.000 1.383 86 H HN 0.325 nan 8.280 nan 0.000 0.508 87 A N 0.465 123.452 122.820 0.278 0.000 1.933 87 A HA -0.243 4.077 4.320 0.000 0.000 0.218 87 A C 2.202 179.928 177.584 0.237 0.000 1.175 87 A CA 1.744 53.912 52.037 0.219 0.000 0.628 87 A CB -0.479 18.622 19.000 0.167 0.000 0.814 87 A HN 0.520 nan 8.150 nan 0.000 0.444 88 Q N -0.692 119.265 119.800 0.262 0.000 2.123 88 Q HA -0.064 4.276 4.340 0.000 0.000 0.199 88 Q C 2.207 178.446 176.000 0.398 0.000 0.966 88 Q CA 1.246 57.258 55.803 0.348 0.000 0.845 88 Q CB -0.288 28.626 28.738 0.294 0.000 0.907 88 Q HN 0.607 nan 8.270 nan 0.000 0.439 89 A N 0.060 123.095 122.820 0.357 0.000 1.902 89 A HA -0.149 4.171 4.320 0.000 0.000 0.217 89 A C 2.239 180.172 177.584 0.581 0.000 1.181 89 A CA 1.777 54.088 52.037 0.457 0.000 0.623 89 A CB -0.608 18.600 19.000 0.346 0.000 0.818 89 A HN 0.393 nan 8.150 nan 0.000 0.443 90 S N -0.006 115.974 115.700 0.466 0.000 2.383 90 S HA -0.088 4.382 4.470 0.000 0.000 0.227 90 S C 2.253 177.049 174.600 0.326 0.000 1.026 90 S CA 1.434 59.901 58.200 0.445 0.000 0.981 90 S CB -0.208 63.172 63.200 0.301 0.000 0.818 90 S HN 0.628 nan 8.310 nan 0.000 0.472 91 S N 0.408 116.204 115.700 0.160 0.000 2.395 91 S HA 0.143 4.613 4.470 0.000 0.000 0.225 91 S C 1.031 175.387 174.600 -0.407 0.000 1.027 91 S CA 0.861 58.959 58.200 -0.170 0.000 0.965 91 S CB -0.152 62.850 63.200 -0.331 0.000 0.812 91 S HN 0.526 nan 8.310 nan 0.000 0.482 92 F N 0.780 120.849 119.950 0.198 0.000 2.706 92 F HA 0.447 4.974 4.527 0.000 0.000 0.308 92 F C 1.268 177.160 175.800 0.153 0.000 1.095 92 F CA 0.297 58.383 58.000 0.143 0.000 1.244 92 F CB 0.371 39.438 39.000 0.112 0.000 1.063 92 F HN 0.279 nan 8.300 nan 0.000 0.582 93 G N 0.134 109.180 108.800 0.410 0.000 2.663 93 G HA2 -0.018 3.942 3.960 0.000 0.000 0.686 93 G HA3 -0.018 3.942 3.960 0.000 0.000 0.686 93 G C -1.097 174.053 174.900 0.416 0.000 1.288 93 G CA -0.679 44.642 45.100 0.370 0.000 0.836 93 G HN 0.344 nan 8.290 nan 0.000 0.584 94 W N -0.873 120.589 121.300 0.270 0.000 2.988 94 W HA 0.848 5.508 4.660 0.000 0.000 0.355 94 W C -0.823 175.702 176.519 0.009 0.000 1.233 94 W CA -1.110 56.228 57.345 -0.013 0.000 1.176 94 W CB 1.574 30.906 29.460 -0.213 0.000 1.477 94 W HN 1.084 nan 8.180 nan 0.000 0.582 95 R N 1.778 122.404 120.500 0.210 0.000 2.584 95 R HA 0.635 4.975 4.340 0.000 0.000 0.276 95 R C -1.903 174.561 176.300 0.274 0.000 1.046 95 R CA -0.751 55.474 56.100 0.208 0.000 0.906 95 R CB 2.696 33.036 30.300 0.066 0.000 1.215 95 R HN 0.715 nan 8.270 nan 0.000 0.449 96 M N 3.242 123.126 119.600 0.472 0.000 2.197 96 M HA 0.414 4.894 4.480 0.000 0.000 0.301 96 M C -1.582 174.945 176.300 0.377 0.000 0.987 96 M CA -0.252 55.349 55.300 0.501 0.000 0.921 96 M CB 2.422 35.469 32.600 0.745 0.000 1.569 96 M HN 0.615 nan 8.290 nan 0.000 0.431 97 T N 2.857 117.581 114.554 0.284 0.000 2.841 97 T HA 0.655 5.005 4.350 0.000 0.000 0.283 97 T C -0.933 173.904 174.700 0.228 0.000 1.000 97 T CA -0.530 61.707 62.100 0.228 0.000 0.977 97 T CB 1.801 70.751 68.868 0.137 0.000 0.979 97 T HN 0.644 nan 8.240 nan 0.000 0.446 98 T N 2.909 117.633 114.554 0.284 0.000 2.916 98 T HA 0.408 4.758 4.350 0.000 0.000 0.298 98 T C -0.844 174.062 174.700 0.345 0.000 1.031 98 T CA -0.825 61.450 62.100 0.292 0.000 0.993 98 T CB 1.672 70.745 68.868 0.341 0.000 1.045 98 T HN 0.527 nan 8.240 nan 0.000 0.454 99 E N 3.650 124.003 120.200 0.255 0.000 2.141 99 E HA 0.574 4.924 4.350 0.000 0.000 0.259 99 E C -0.346 176.439 176.600 0.309 0.000 0.883 99 E CA -0.496 56.060 56.400 0.259 0.000 0.744 99 E CB 1.320 31.091 29.700 0.119 0.000 1.150 99 E HN 0.640 nan 8.360 nan 0.000 0.420 100 M N 0.623 120.449 119.600 0.377 0.000 2.683 100 M HA 0.551 5.031 4.480 0.000 0.000 0.274 100 M C -1.604 174.739 176.300 0.071 0.000 1.272 100 M CA -1.115 54.274 55.300 0.148 0.000 0.833 100 M CB 2.513 34.852 32.600 -0.435 0.000 1.708 100 M HN 0.065 nan 8.290 nan 0.000 0.463 101 K N 1.346 121.546 120.400 -0.333 0.000 2.397 101 K HA 0.681 5.001 4.320 0.000 0.000 0.253 101 K C -2.051 174.421 176.600 -0.213 0.000 0.932 101 K CA -0.710 55.321 56.287 -0.427 0.000 0.795 101 K CB 2.465 34.314 32.500 -1.084 0.000 1.159 101 K HN 0.709 nan 8.250 nan 0.000 0.424 102 V N 6.606 126.484 119.914 -0.061 0.000 2.383 102 V HA 0.168 4.288 4.120 0.000 0.000 0.275 102 V C 1.117 177.195 176.094 -0.027 0.000 1.036 102 V CA -0.412 61.870 62.300 -0.030 0.000 0.889 102 V CB 1.188 33.024 31.823 0.022 0.000 0.985 102 V HN 0.870 nan 8.190 nan 0.000 0.459 103 L N 3.349 124.557 121.223 -0.025 0.000 2.202 103 L HA 0.190 4.530 4.340 0.000 0.000 0.205 103 L C 0.887 177.758 176.870 0.001 0.000 1.083 103 L CA 0.889 55.719 54.840 -0.016 0.000 0.790 103 L CB 0.420 42.472 42.059 -0.012 0.000 0.942 103 L HN 0.879 nan 8.230 nan 0.000 0.452 104 S N -2.262 113.442 115.700 0.007 0.000 2.611 104 S HA 0.604 5.074 4.470 0.000 0.000 0.270 104 S C -0.235 174.371 174.600 0.011 0.000 1.131 104 S CA -0.296 57.909 58.200 0.009 0.000 0.826 104 S CB 1.416 64.620 63.200 0.007 0.000 1.095 104 S HN 0.475 nan 8.310 nan 0.000 0.461 105 G N 0.263 109.067 108.800 0.006 0.000 2.593 105 G HA2 0.385 4.345 3.960 0.000 0.000 0.237 105 G HA3 0.385 4.345 3.960 0.000 0.000 0.237 105 G C 0.220 175.121 174.900 0.001 0.000 1.312 105 G CA 0.076 45.178 45.100 0.004 0.000 0.896 105 G HN 2.213 nan 8.290 nan 0.000 0.574 106 G N -3.896 104.904 108.800 -0.000 0.000 2.911 106 G HA2 0.627 4.587 3.960 0.000 0.000 0.299 106 G HA3 0.627 4.587 3.960 0.000 0.000 0.299 106 G C 0.416 175.315 174.900 -0.001 0.000 1.283 106 G CA 0.470 45.565 45.100 -0.009 0.000 0.805 106 G HN 1.704 nan 8.290 nan 0.000 0.548 107 M N -0.543 119.047 119.600 -0.016 0.000 2.302 107 M HA -0.124 4.356 4.480 0.000 0.000 0.200 107 M C -0.286 176.033 176.300 0.032 0.000 0.366 107 M CA 0.294 55.589 55.300 -0.008 0.000 0.440 107 M CB -1.818 30.778 32.600 -0.006 0.000 1.475 107 M HN 0.306 nan 8.290 nan 0.000 0.905 108 I N 1.303 121.893 120.570 0.034 0.000 2.294 108 I HA 0.190 4.360 4.170 0.000 0.000 0.295 108 I C 1.030 177.212 176.117 0.109 0.000 1.098 108 I CA 0.267 61.626 61.300 0.097 0.000 1.277 108 I CB 0.372 38.409 38.000 0.061 0.000 1.434 108 I HN 0.333 nan 8.210 nan 0.000 0.498 109 T N 2.959 117.626 114.554 0.188 0.000 2.821 109 T HA 0.457 4.807 4.350 0.000 0.000 0.307 109 T C -0.110 174.869 174.700 0.464 0.000 1.034 109 T CA -0.908 61.350 62.100 0.263 0.000 0.953 109 T CB 0.657 69.659 68.868 0.222 0.000 0.968 109 T HN 0.343 nan 8.240 nan 0.000 0.462 110 N N 4.015 122.992 118.700 0.462 0.000 2.479 110 N HA 0.481 5.221 4.740 0.000 0.000 0.261 110 N C -1.004 174.840 175.510 0.555 0.000 0.979 110 N CA -0.452 52.887 53.050 0.481 0.000 0.930 110 N CB 1.460 40.213 38.487 0.443 0.000 1.172 110 N HN 0.873 nan 8.380 nan 0.000 0.499 111 Y N -0.268 120.194 120.300 0.271 0.000 2.853 111 Y HA 0.624 5.174 4.550 0.000 0.000 0.326 111 Y C -2.010 173.990 175.900 0.167 0.000 1.384 111 Y CA -1.536 56.718 58.100 0.255 0.000 1.077 111 Y CB 0.952 39.527 38.460 0.193 0.000 1.395 111 Y HN 0.283 nan 8.280 nan 0.000 0.451 112 Y N 1.480 121.764 120.300 -0.026 0.000 2.406 112 Y HA 0.883 5.433 4.550 0.000 0.000 0.340 112 Y C -1.522 174.298 175.900 -0.132 0.000 0.975 112 Y CA -1.431 56.445 58.100 -0.373 0.000 1.056 112 Y CB 1.651 39.642 38.460 -0.782 0.000 1.210 112 Y HN 1.068 nan 8.280 nan 0.000 0.448 113 A N 5.467 127.886 122.820 -0.670 0.000 2.371 113 A HA 0.699 5.019 4.320 0.000 0.000 0.311 113 A C -1.218 175.927 177.584 -0.732 0.000 1.068 113 A CA -0.790 50.917 52.037 -0.550 0.000 0.744 113 A CB 0.865 19.796 19.000 -0.115 0.000 1.239 113 A HN 0.897 nan 8.150 nan 0.000 0.435 114 N N 0.418 118.742 118.700 -0.628 0.000 2.592 114 N HA 0.513 5.253 4.740 0.000 0.000 0.292 114 N C 0.673 175.948 175.510 -0.393 0.000 1.260 114 N CA -0.148 52.585 53.050 -0.529 0.000 0.910 114 N CB 0.416 38.737 38.487 -0.276 0.000 1.257 114 N HN 0.524 nan 8.380 nan 0.000 0.569 115 G N -1.965 106.595 108.800 -0.400 0.000 3.337 115 G HA2 0.232 4.192 3.960 0.000 0.000 0.226 115 G HA3 0.232 4.192 3.960 0.000 0.000 0.226 115 G C -0.268 174.548 174.900 -0.140 0.000 1.295 115 G CA 0.361 45.318 45.100 -0.237 0.000 1.427 115 G HN 0.679 nan 8.290 nan 0.000 0.535 116 T N -1.823 112.653 114.554 -0.129 0.000 3.607 116 T HA 0.080 4.430 4.350 0.000 0.000 0.295 116 T C 0.496 175.161 174.700 -0.058 0.000 0.884 116 T CA 0.183 62.240 62.100 -0.072 0.000 1.041 116 T CB 0.391 69.234 68.868 -0.041 0.000 1.172 116 T HN 0.557 nan 8.240 nan 0.000 0.536 117 Q N 1.197 120.950 119.800 -0.078 0.000 2.648 117 Q HA 0.764 5.104 4.340 0.000 0.000 0.300 117 Q C -1.613 174.337 176.000 -0.083 0.000 0.954 117 Q CA -1.264 54.510 55.803 -0.048 0.000 0.757 117 Q CB 2.426 31.165 28.738 0.001 0.000 1.482 117 Q HN 0.404 nan 8.270 nan 0.000 0.437 118 R N -1.170 119.320 120.500 -0.017 0.000 2.692 118 R HA 0.695 5.035 4.340 0.000 0.000 0.269 118 R C -1.793 174.582 176.300 0.124 0.000 1.030 118 R CA -0.895 55.217 56.100 0.020 0.000 0.882 118 R CB 1.528 31.853 30.300 0.041 0.000 1.250 118 R HN 0.332 nan 8.270 nan 0.000 0.465 119 V N 2.480 122.544 119.914 0.250 0.000 2.350 119 V HA 0.373 4.493 4.120 0.000 0.000 0.285 119 V C -1.081 175.201 176.094 0.312 0.000 1.014 119 V CA -0.715 61.781 62.300 0.326 0.000 0.831 119 V CB 1.201 33.332 31.823 0.512 0.000 1.000 119 V HN 0.597 nan 8.190 nan 0.000 0.433 120 L N 9.405 130.731 121.223 0.171 0.000 2.324 120 L HA 0.718 5.058 4.340 0.000 0.000 0.274 120 L C -2.725 174.158 176.870 0.021 0.000 1.012 120 L CA -1.727 53.126 54.840 0.021 0.000 0.859 120 L CB 1.719 43.625 42.059 -0.255 0.000 1.224 120 L HN 0.351 nan 8.230 nan 0.000 0.429 121 P HA 0.455 nan 4.420 nan 0.000 0.288 121 P C -1.001 176.134 177.300 -0.275 0.000 1.267 121 P CA -0.098 62.806 63.100 -0.327 0.000 0.815 121 P CB 1.204 32.738 31.700 -0.276 0.000 0.989 122 I N 3.871 124.204 120.570 -0.394 0.000 2.411 122 I HA 0.383 4.553 4.170 0.000 0.000 0.284 122 I C -0.007 175.962 176.117 -0.247 0.000 1.012 122 I CA -0.554 60.604 61.300 -0.237 0.000 1.119 122 I CB 1.025 38.908 38.000 -0.195 0.000 1.261 122 I HN 0.110 nan 8.210 nan 0.000 0.448 123 I N 5.786 126.261 120.570 -0.159 0.000 2.428 123 I HA 0.515 4.685 4.170 0.000 0.000 0.296 123 I C 0.263 176.333 176.117 -0.079 0.000 0.985 123 I CA 0.005 61.225 61.300 -0.133 0.000 1.260 123 I CB 1.777 39.692 38.000 -0.142 0.000 1.389 123 I HN 0.694 nan 8.210 nan 0.000 0.484 124 S N 5.706 121.367 115.700 -0.064 0.000 2.636 124 S HA 0.625 5.095 4.470 0.000 0.000 0.268 124 S C -1.291 173.295 174.600 -0.024 0.000 1.159 124 S CA -1.060 57.117 58.200 -0.038 0.000 0.815 124 S CB 1.341 64.513 63.200 -0.046 0.000 1.130 124 S HN 0.432 nan 8.310 nan 0.000 0.471 125 L N 2.183 123.398 121.223 -0.013 0.000 2.307 125 L HA 0.516 4.856 4.340 0.000 0.000 0.284 125 L C -0.337 176.525 176.870 -0.013 0.000 1.023 125 L CA -0.812 54.025 54.840 -0.006 0.000 0.810 125 L CB 1.431 43.493 42.059 0.005 0.000 1.231 125 L HN 0.905 nan 8.230 nan 0.000 0.423 126 D N 0.532 120.922 120.400 -0.015 0.000 2.447 126 D HA 0.026 4.666 4.640 0.000 0.000 0.265 126 D C 1.183 177.477 176.300 -0.010 0.000 1.250 126 D CA -0.243 53.747 54.000 -0.016 0.000 1.046 126 D CB 0.486 41.274 40.800 -0.020 0.000 1.095 126 D HN 0.467 nan 8.370 nan 0.000 0.555 127 S N -1.236 114.458 115.700 -0.010 0.000 2.440 127 S HA -0.156 4.314 4.470 0.000 0.000 0.238 127 S C 1.520 176.119 174.600 -0.003 0.000 1.010 127 S CA 0.943 59.139 58.200 -0.006 0.000 0.972 127 S CB -0.589 62.607 63.200 -0.007 0.000 0.774 127 S HN 0.377 nan 8.310 nan 0.000 0.501 128 S N 0.190 115.889 115.700 -0.003 0.000 2.556 128 S HA 0.490 4.960 4.470 0.000 0.000 0.216 128 S C 1.392 175.995 174.600 0.004 0.000 0.970 128 S CA 0.271 58.471 58.200 0.001 0.000 0.912 128 S CB 0.302 63.502 63.200 0.000 0.000 0.790 128 S HN 1.039 nan 8.310 nan 0.000 0.504 129 G N 2.162 110.965 108.800 0.004 0.000 2.176 129 G HA2 -0.204 3.756 3.960 0.000 0.000 0.232 129 G HA3 -0.204 3.756 3.960 0.000 0.000 0.232 129 G C -0.259 174.648 174.900 0.013 0.000 0.986 129 G CA -0.550 44.556 45.100 0.010 0.000 0.643 129 G HN 0.435 nan 8.290 nan 0.000 0.522 130 N N 0.188 118.891 118.700 0.004 0.000 2.530 130 N HA 0.417 5.157 4.740 0.000 0.000 0.273 130 N C 0.004 175.509 175.510 -0.007 0.000 1.173 130 N CA -0.298 52.752 53.050 0.000 0.000 0.967 130 N CB 1.697 40.177 38.487 -0.011 0.000 1.109 130 N HN 0.305 nan 8.380 nan 0.000 0.453 131 L N 2.904 124.121 121.223 -0.009 0.000 2.281 131 L HA 0.325 4.665 4.340 0.000 0.000 0.285 131 L C -0.274 176.550 176.870 -0.076 0.000 1.074 131 L CA -0.333 54.497 54.840 -0.017 0.000 0.817 131 L CB 0.464 42.532 42.059 0.014 0.000 1.168 131 L HN 0.369 nan 8.230 nan 0.000 0.434 132 V N 3.673 123.545 119.914 -0.071 0.000 3.102 132 V HA 0.841 4.961 4.120 0.000 0.000 0.312 132 V C -1.240 174.776 176.094 -0.130 0.000 1.135 132 V CA -0.809 61.430 62.300 -0.101 0.000 1.022 132 V CB 1.858 33.632 31.823 -0.082 0.000 1.056 132 V HN 0.612 nan 8.190 nan 0.000 0.436 133 V N 1.347 121.152 119.914 -0.182 0.000 2.789 133 V HA 0.745 4.865 4.120 0.000 0.000 0.311 133 V C -0.671 175.170 176.094 -0.422 0.000 1.073 133 V CA -0.076 62.015 62.300 -0.349 0.000 0.921 133 V CB 2.041 33.586 31.823 -0.464 0.000 1.009 133 V HN 1.181 nan 8.190 nan 0.000 0.426 134 E N 4.427 124.294 120.200 -0.554 0.000 2.359 134 E HA 0.616 4.966 4.350 0.000 0.000 0.266 134 E C -1.954 174.223 176.600 -0.706 0.000 0.920 134 E CA -0.529 55.621 56.400 -0.416 0.000 0.788 134 E CB 2.841 32.415 29.700 -0.209 0.000 1.279 134 E HN 0.559 nan 8.360 nan 0.000 0.438 135 F N 0.778 120.660 119.950 -0.113 0.000 2.529 135 F HA 0.214 4.741 4.527 0.000 0.000 0.320 135 F C 0.290 176.050 175.800 -0.068 0.000 1.118 135 F CA -0.881 57.059 58.000 -0.100 0.000 0.915 135 F CB 1.740 40.686 39.000 -0.090 0.000 1.161 135 F HN 0.353 nan 8.300 nan 0.000 0.445 136 E N 1.614 121.862 120.200 0.080 0.000 2.480 136 E HA 0.348 4.698 4.350 0.000 0.000 0.258 136 E C 1.048 177.688 176.600 0.066 0.000 0.984 136 E CA 1.197 57.616 56.400 0.031 0.000 0.930 136 E CB 0.376 30.066 29.700 -0.018 0.000 0.936 136 E HN 0.944 nan 8.360 nan 0.000 0.466 137 G N 3.603 112.428 108.800 0.042 0.000 2.213 137 G HA2 -0.254 3.706 3.960 0.000 0.000 0.226 137 G HA3 -0.254 3.706 3.960 0.000 0.000 0.226 137 G C -0.027 174.897 174.900 0.041 0.000 0.992 137 G CA 0.138 45.262 45.100 0.039 0.000 0.632 137 G HN 0.554 nan 8.290 nan 0.000 0.511 138 Q N 0.240 120.077 119.800 0.062 0.000 2.375 138 Q HA 0.625 4.965 4.340 0.000 0.000 0.271 138 Q C -0.426 175.604 176.000 0.049 0.000 1.074 138 Q CA -0.306 55.531 55.803 0.057 0.000 0.808 138 Q CB 2.300 31.087 28.738 0.082 0.000 1.327 138 Q HN 0.170 nan 8.270 nan 0.000 0.441 139 T N 0.241 114.813 114.554 0.031 0.000 2.918 139 T HA 0.677 5.027 4.350 0.000 0.000 0.283 139 T C 0.402 175.117 174.700 0.024 0.000 1.001 139 T CA 0.920 63.032 62.100 0.020 0.000 1.041 139 T CB 0.641 69.515 68.868 0.009 0.000 1.028 139 T HN 0.884 nan 8.240 nan 0.000 0.511 140 G N 2.563 111.370 108.800 0.012 0.000 2.615 140 G HA2 0.053 4.014 3.960 0.000 0.000 0.218 140 G HA3 0.053 4.014 3.960 0.000 0.000 0.218 140 G C -0.597 174.308 174.900 0.007 0.000 1.339 140 G CA 0.077 45.182 45.100 0.009 0.000 0.884 140 G HN 1.189 nan 8.290 nan 0.000 0.559 141 R N -2.613 117.890 120.500 0.005 0.000 2.747 141 R HA 0.786 5.126 4.340 0.000 0.000 0.272 141 R C -1.383 174.918 176.300 0.001 0.000 1.032 141 R CA -0.528 55.565 56.100 -0.012 0.000 0.896 141 R CB 1.045 31.319 30.300 -0.042 0.000 1.253 141 R HN 0.838 nan 8.270 nan 0.000 0.461 142 T N 1.112 115.657 114.554 -0.014 0.000 2.879 142 T HA 0.337 4.687 4.350 0.000 0.000 0.290 142 T C -0.788 173.880 174.700 -0.052 0.000 0.993 142 T CA -0.652 61.444 62.100 -0.006 0.000 0.975 142 T CB 1.771 70.668 68.868 0.050 0.000 0.981 142 T HN 0.351 nan 8.240 nan 0.000 0.439 143 V N 5.351 125.234 119.914 -0.052 0.000 2.455 143 V HA 0.205 4.325 4.120 0.000 0.000 0.273 143 V C 1.113 177.127 176.094 -0.134 0.000 1.045 143 V CA -0.000 62.252 62.300 -0.079 0.000 0.976 143 V CB 0.632 32.426 31.823 -0.048 0.000 0.993 143 V HN 0.837 nan 8.190 nan 0.000 0.475 144 L N 3.910 124.985 121.223 -0.247 0.000 2.253 144 L HA 0.492 4.832 4.340 0.000 0.000 0.205 144 L C 0.924 177.578 176.870 -0.361 0.000 1.078 144 L CA 0.943 55.467 54.840 -0.527 0.000 0.805 144 L CB 0.039 41.459 42.059 -1.066 0.000 0.963 144 L HN 0.756 nan 8.230 nan 0.000 0.459 145 A N -0.606 122.100 122.820 -0.190 0.000 2.604 145 A HA 0.644 4.964 4.320 0.000 0.000 0.295 145 A C -0.590 176.999 177.584 0.009 0.000 1.067 145 A CA -0.203 51.819 52.037 -0.026 0.000 0.683 145 A CB 1.327 20.355 19.000 0.048 0.000 1.281 145 A HN 0.059 nan 8.150 nan 0.000 0.407 146 T N -1.586 112.994 114.554 0.043 0.000 2.864 146 T HA 0.884 5.234 4.350 0.000 0.000 0.289 146 T C 0.793 175.526 174.700 0.056 0.000 1.082 146 T CA 0.401 62.524 62.100 0.038 0.000 1.009 146 T CB 1.014 69.897 68.868 0.025 0.000 1.234 146 T HN 2.740 nan 8.240 nan 0.000 0.526 147 G N 0.807 109.634 108.800 0.045 0.000 2.575 147 G HA2 -0.292 3.668 3.960 0.000 0.000 0.267 147 G HA3 -0.292 3.668 3.960 0.000 0.000 0.267 147 G C 0.859 175.794 174.900 0.058 0.000 1.264 147 G CA 0.549 45.677 45.100 0.046 0.000 0.935 147 G HN 1.329 nan 8.290 nan 0.000 0.568 148 T N 1.290 115.877 114.554 0.056 0.000 2.803 148 T HA 0.065 4.415 4.350 0.000 0.000 0.269 148 T C 2.800 177.552 174.700 0.087 0.000 1.052 148 T CA 2.745 64.880 62.100 0.059 0.000 1.136 148 T CB -0.579 68.318 68.868 0.048 0.000 0.864 148 T HN 1.586 nan 8.240 nan 0.000 0.467 149 A N 1.449 124.340 122.820 0.119 0.000 2.024 149 A HA 0.139 4.459 4.320 0.000 0.000 0.220 149 A C 2.648 180.412 177.584 0.301 0.000 1.164 149 A CA 1.651 53.813 52.037 0.207 0.000 0.643 149 A CB -0.994 18.144 19.000 0.230 0.000 0.806 149 A HN 0.526 nan 8.150 nan 0.000 0.451 150 A N -0.328 122.605 122.820 0.188 0.000 1.978 150 A HA -0.070 4.250 4.320 0.000 0.000 0.220 150 A C 1.985 179.675 177.584 0.177 0.000 1.170 150 A CA 2.105 54.244 52.037 0.169 0.000 0.636 150 A CB -0.921 18.131 19.000 0.086 0.000 0.810 150 A HN 0.848 nan 8.150 nan 0.000 0.448 151 T N -2.157 112.469 114.554 0.120 0.000 3.248 151 T HA 0.421 4.771 4.350 0.000 0.000 0.271 151 T C 0.002 174.696 174.700 -0.009 0.000 1.005 151 T CA -0.418 61.714 62.100 0.053 0.000 0.902 151 T CB 0.024 68.904 68.868 0.019 0.000 1.102 151 T HN 0.494 nan 8.240 nan 0.000 0.548 152 E N 0.370 120.578 120.200 0.013 0.000 2.259 152 E HA 0.440 4.790 4.350 0.000 0.000 0.257 152 E C -1.088 175.338 176.600 -0.289 0.000 0.998 152 E CA -1.173 55.151 56.400 -0.125 0.000 0.866 152 E CB 1.085 30.723 29.700 -0.105 0.000 1.220 152 E HN 0.296 nan 8.360 nan 0.000 0.415 153 Y N 0.456 120.617 120.300 -0.231 0.000 2.411 153 Y HA 0.140 4.690 4.550 0.000 0.000 0.333 153 Y C 0.134 175.736 175.900 -0.497 0.000 1.186 153 Y CA 0.895 58.875 58.100 -0.199 0.000 1.381 153 Y CB 0.481 38.877 38.460 -0.108 0.000 1.273 153 Y HN 0.425 nan 8.280 nan 0.000 0.546 154 H N -0.011 119.168 119.070 0.181 0.000 2.980 154 H HA 0.364 4.920 4.556 0.000 0.000 0.367 154 H C -1.178 174.052 175.328 -0.163 0.000 1.206 154 H CA -1.330 54.630 56.048 -0.148 0.000 1.126 154 H CB 1.657 31.200 29.762 -0.365 0.000 1.838 154 H HN 0.403 nan 8.280 nan 0.000 0.552 155 K N 2.150 122.396 120.400 -0.257 0.000 2.265 155 K HA 0.381 4.701 4.320 0.000 0.000 0.267 155 K C -1.564 174.860 176.600 -0.293 0.000 0.994 155 K CA -0.471 55.742 56.287 -0.123 0.000 0.860 155 K CB 0.568 33.010 32.500 -0.096 0.000 1.099 155 K HN 0.299 nan 8.250 nan 0.000 0.448 156 F N 2.328 122.335 119.950 0.095 0.000 2.469 156 F HA 0.400 4.927 4.527 0.000 0.000 0.332 156 F C 0.113 175.930 175.800 0.028 0.000 1.103 156 F CA -0.641 57.391 58.000 0.053 0.000 0.979 156 F CB 1.779 40.898 39.000 0.197 0.000 1.137 156 F HN 0.377 nan 8.300 nan 0.000 0.463 157 E N 2.959 123.205 120.200 0.077 0.000 2.275 157 E HA 0.487 4.837 4.350 0.000 0.000 0.270 157 E C -1.758 174.992 176.600 0.251 0.000 0.882 157 E CA -1.030 55.468 56.400 0.164 0.000 0.758 157 E CB 3.260 33.007 29.700 0.079 0.000 1.195 157 E HN 0.357 nan 8.360 nan 0.000 0.419 158 L N 3.088 124.543 121.223 0.388 0.000 2.349 158 L HA 0.412 4.752 4.340 0.000 0.000 0.278 158 L C -1.478 175.587 176.870 0.325 0.000 0.996 158 L CA -0.784 54.355 54.840 0.498 0.000 0.825 158 L CB 1.749 44.235 42.059 0.712 0.000 1.243 158 L HN 0.313 nan 8.230 nan 0.000 0.412 159 V N 5.524 125.577 119.914 0.231 0.000 2.448 159 V HA 0.436 4.556 4.120 0.000 0.000 0.295 159 V C -0.828 175.193 176.094 -0.122 0.000 1.025 159 V CA -0.560 61.758 62.300 0.030 0.000 0.859 159 V CB 1.495 33.367 31.823 0.082 0.000 0.988 159 V HN 0.601 nan 8.190 nan 0.000 0.431 160 F N 6.160 125.727 119.950 -0.638 0.000 2.426 160 F HA 0.701 5.228 4.527 0.000 0.000 0.348 160 F C -0.672 174.902 175.800 -0.376 0.000 1.124 160 F CA -0.682 56.906 58.000 -0.688 0.000 1.008 160 F CB 1.039 39.111 39.000 -1.545 0.000 1.139 160 F HN 0.315 nan 8.300 nan 0.000 0.452 161 L N 8.543 129.280 121.223 -0.810 0.000 2.307 161 L HA 0.526 4.866 4.340 0.000 0.000 0.284 161 L C -2.096 174.273 176.870 -0.834 0.000 1.023 161 L CA -2.026 52.460 54.840 -0.589 0.000 0.810 161 L CB 1.670 43.538 42.059 -0.318 0.000 1.231 161 L HN 0.477 nan 8.230 nan 0.000 0.423 162 P HA 0.449 nan 4.420 nan 0.000 0.274 162 P C -0.285 176.889 177.300 -0.210 0.000 1.246 162 P CA 0.002 62.918 63.100 -0.307 0.000 0.795 162 P CB 1.776 33.411 31.700 -0.108 0.000 1.006 163 G N -0.614 108.114 108.800 -0.120 0.000 2.341 163 G HA2 0.163 4.123 3.960 0.000 0.000 0.293 163 G HA3 0.163 4.123 3.960 0.000 0.000 0.293 163 G C 0.648 175.529 174.900 -0.032 0.000 1.298 163 G CA 0.163 45.215 45.100 -0.079 0.000 0.868 163 G HN 0.424 nan 8.290 nan 0.000 0.540 164 S N -0.699 114.988 115.700 -0.021 0.000 2.382 164 S HA -0.017 4.453 4.470 0.000 0.000 0.228 164 S C 0.790 175.396 174.600 0.011 0.000 1.027 164 S CA 1.481 59.681 58.200 0.001 0.000 0.991 164 S CB -0.051 63.149 63.200 -0.001 0.000 0.823 164 S HN 0.510 nan 8.310 nan 0.000 0.469 165 N N 2.911 121.608 118.700 -0.005 0.000 2.918 165 N HA 0.340 5.080 4.740 0.000 0.000 0.270 165 N C -2.986 172.517 175.510 -0.011 0.000 1.536 165 N CA -1.090 51.964 53.050 0.006 0.000 0.877 165 N CB 1.179 39.665 38.487 -0.002 0.000 1.190 165 N HN 0.443 nan 8.380 nan 0.000 0.492 166 P HA 0.046 nan 4.420 nan 0.000 0.267 166 P C -0.207 177.130 177.300 0.062 0.000 1.205 166 P CA 0.261 63.326 63.100 -0.059 0.000 0.765 166 P CB 0.882 32.668 31.700 0.143 0.000 0.828 167 S N 1.580 117.228 115.700 -0.086 0.000 2.651 167 S HA 0.851 5.321 4.470 0.000 0.000 0.279 167 S C -1.016 173.619 174.600 0.059 0.000 1.148 167 S CA -0.900 57.343 58.200 0.072 0.000 0.837 167 S CB 1.777 64.982 63.200 0.009 0.000 1.138 167 S HN 0.652 nan 8.310 nan 0.000 0.478 168 A N 0.930 123.847 122.820 0.162 0.000 2.354 168 A HA 0.939 5.259 4.320 0.000 0.000 0.321 168 A C -0.179 177.456 177.584 0.085 0.000 1.125 168 A CA -0.614 51.516 52.037 0.154 0.000 0.799 168 A CB 1.444 20.612 19.000 0.279 0.000 1.293 168 A HN 1.775 nan 8.150 nan 0.000 0.452 169 S N -0.119 115.658 115.700 0.129 0.000 2.526 169 S HA 0.747 5.217 4.470 0.000 0.000 0.293 169 S C -1.021 173.688 174.600 0.181 0.000 1.092 169 S CA -0.442 57.797 58.200 0.065 0.000 0.980 169 S CB 1.212 64.453 63.200 0.068 0.000 1.048 169 S HN 0.868 nan 8.310 nan 0.000 0.483 170 F N 2.678 122.530 119.950 -0.163 0.000 2.458 170 F HA 0.717 5.245 4.527 0.000 0.000 0.336 170 F C -1.657 174.026 175.800 -0.196 0.000 1.114 170 F CA -0.840 57.204 58.000 0.073 0.000 0.987 170 F CB 1.044 40.229 39.000 0.309 0.000 1.130 170 F HN 0.664 nan 8.300 nan 0.000 0.458 171 Y N 5.558 125.678 120.300 -0.301 0.000 2.462 171 Y HA 0.488 5.038 4.550 0.000 0.000 0.346 171 Y C -1.242 174.504 175.900 -0.257 0.000 0.976 171 Y CA -1.405 56.603 58.100 -0.154 0.000 1.044 171 Y CB 1.701 40.116 38.460 -0.074 0.000 1.230 171 Y HN 0.495 nan 8.280 nan 0.000 0.455 172 F N 3.886 123.778 119.950 -0.096 0.000 2.445 172 F HA 0.435 4.962 4.527 0.000 0.000 0.348 172 F C -0.169 175.551 175.800 -0.133 0.000 1.125 172 F CA -1.241 56.637 58.000 -0.203 0.000 0.983 172 F CB 0.783 39.725 39.000 -0.097 0.000 1.198 172 F HN 0.680 nan 8.300 nan 0.000 0.436 173 D N 4.662 124.677 120.400 -0.641 0.000 2.708 173 D HA -0.186 4.454 4.640 0.000 0.000 0.236 173 D C 1.260 177.453 176.300 -0.178 0.000 1.146 173 D CA 1.794 55.517 54.000 -0.462 0.000 0.662 173 D CB -1.092 39.344 40.800 -0.607 0.000 1.059 173 D HN 1.262 nan 8.370 nan 0.000 0.428 174 G N -0.400 108.354 108.800 -0.077 0.000 2.199 174 G HA2 -0.366 3.594 3.960 0.000 0.000 0.254 174 G HA3 -0.366 3.594 3.960 0.000 0.000 0.254 174 G C 0.327 175.300 174.900 0.120 0.000 0.982 174 G CA 0.680 45.785 45.100 0.009 0.000 0.632 174 G HN 0.612 nan 8.290 nan 0.000 0.529 175 K N 0.443 120.930 120.400 0.144 0.000 2.185 175 K HA 0.645 4.965 4.320 0.000 0.000 0.269 175 K C 0.194 176.917 176.600 0.205 0.000 0.987 175 K CA -1.129 55.265 56.287 0.179 0.000 0.865 175 K CB 0.954 33.531 32.500 0.128 0.000 1.090 175 K HN 0.171 nan 8.250 nan 0.000 0.450 176 L N 6.281 127.590 121.223 0.144 0.000 2.513 176 L HA 0.020 4.360 4.340 0.000 0.000 0.272 176 L C 0.420 177.250 176.870 -0.068 0.000 1.187 176 L CA 0.553 55.290 54.840 -0.171 0.000 0.895 176 L CB 0.330 42.309 42.059 -0.132 0.000 1.147 176 L HN 0.781 nan 8.230 nan 0.000 0.483 177 I N 3.123 123.663 120.570 -0.050 0.000 3.194 177 I HA 0.261 4.431 4.170 0.000 0.000 0.271 177 I C 0.607 176.757 176.117 0.056 0.000 1.150 177 I CA 0.320 61.690 61.300 0.116 0.000 1.440 177 I CB -0.423 37.803 38.000 0.378 0.000 1.276 177 I HN 0.631 nan 8.210 nan 0.000 0.457 178 R N 1.070 121.566 120.500 -0.006 0.000 2.564 178 R HA 0.435 4.775 4.340 0.000 0.000 0.284 178 R C -1.626 174.550 176.300 -0.206 0.000 1.031 178 R CA -0.363 55.643 56.100 -0.157 0.000 0.904 178 R CB 1.638 31.682 30.300 -0.426 0.000 1.199 178 R HN -0.013 nan 8.270 nan 0.000 0.443 179 D N 1.082 121.374 120.400 -0.179 0.000 2.414 179 D HA 0.409 5.049 4.640 0.000 0.000 0.241 179 D C -0.523 175.703 176.300 -0.122 0.000 1.008 179 D CA -0.023 53.892 54.000 -0.141 0.000 1.001 179 D CB 1.002 41.737 40.800 -0.108 0.000 1.277 179 D HN 0.582 nan 8.370 nan 0.000 0.538 180 N N 0.646 119.298 118.700 -0.080 0.000 2.721 180 N HA -0.191 4.549 4.740 0.000 0.000 0.249 180 N C -0.517 174.957 175.510 -0.060 0.000 1.072 180 N CA 0.493 53.509 53.050 -0.057 0.000 0.710 180 N CB -1.284 37.171 38.487 -0.053 0.000 0.993 180 N HN 0.484 nan 8.380 nan 0.000 0.547 181 I N 1.203 121.729 120.570 -0.073 0.000 2.517 181 I HA -0.056 4.114 4.170 0.000 0.000 0.285 181 I C 0.962 177.104 176.117 0.042 0.000 1.106 181 I CA 0.243 61.496 61.300 -0.078 0.000 1.402 181 I CB 0.454 38.381 38.000 -0.122 0.000 1.399 181 I HN -0.133 nan 8.210 nan 0.000 0.535 182 Q N 7.649 127.473 119.800 0.040 0.000 2.261 182 Q HA 0.376 4.716 4.340 0.000 0.000 0.252 182 Q C -2.175 173.895 176.000 0.116 0.000 0.915 182 Q CA -1.889 53.966 55.803 0.086 0.000 0.915 182 Q CB 0.793 29.564 28.738 0.054 0.000 1.204 182 Q HN 0.336 nan 8.270 nan 0.000 0.421 183 P HA 0.053 nan 4.420 nan 0.000 0.269 183 P C -0.525 176.829 177.300 0.090 0.000 1.209 183 P CA 0.108 63.294 63.100 0.144 0.000 0.776 183 P CB 0.578 32.374 31.700 0.161 0.000 0.876 184 T N -1.385 113.210 114.554 0.069 0.000 2.912 184 T HA 0.721 5.071 4.350 0.000 0.000 0.288 184 T C -0.158 174.553 174.700 0.017 0.000 1.030 184 T CA -1.077 61.046 62.100 0.038 0.000 1.020 184 T CB 1.344 70.228 68.868 0.028 0.000 1.056 184 T HN 0.377 nan 8.240 nan 0.000 0.480 185 A N 1.572 124.397 122.820 0.008 0.000 2.511 185 A HA 0.552 4.872 4.320 0.000 0.000 0.242 185 A C 0.536 178.109 177.584 -0.018 0.000 1.069 185 A CA -0.205 51.829 52.037 -0.005 0.000 0.763 185 A CB -0.476 18.521 19.000 -0.004 0.000 1.001 185 A HN 1.311 nan 8.150 nan 0.000 0.498 186 S N 1.031 116.714 115.700 -0.029 0.000 2.556 186 S HA 0.435 4.905 4.470 0.000 0.000 0.280 186 S C 0.014 174.584 174.600 -0.050 0.000 1.141 186 S CA -0.684 57.495 58.200 -0.036 0.000 0.883 186 S CB 1.046 64.227 63.200 -0.032 0.000 1.103 186 S HN 0.567 nan 8.310 nan 0.000 0.453 187 K N 1.912 122.284 120.400 -0.046 0.000 2.393 187 K HA 0.210 4.530 4.320 0.000 0.000 0.193 187 K C 0.441 176.999 176.600 -0.070 0.000 1.026 187 K CA 0.259 56.512 56.287 -0.058 0.000 1.064 187 K CB 0.028 32.502 32.500 -0.044 0.000 0.833 187 K HN 0.667 nan 8.250 nan 0.000 0.521 188 Q N 1.102 120.872 119.800 -0.051 0.000 2.432 188 Q HA 0.025 4.365 4.340 0.000 0.000 0.264 188 Q C 0.164 176.096 176.000 -0.113 0.000 1.035 188 Q CA 0.444 56.219 55.803 -0.046 0.000 0.908 188 Q CB 0.416 29.172 28.738 0.030 0.000 1.280 188 Q HN -0.019 nan 8.270 nan 0.000 0.455 189 N N 2.981 121.609 118.700 -0.121 0.000 2.685 189 N HA 0.301 5.041 4.740 0.000 0.000 0.252 189 N C -1.540 173.933 175.510 -0.062 0.000 1.261 189 N CA -0.017 52.922 53.050 -0.184 0.000 0.768 189 N CB 0.587 38.926 38.487 -0.246 0.000 1.304 189 N HN 0.763 nan 8.380 nan 0.000 0.536 190 M N 0.184 119.754 119.600 -0.050 0.000 3.019 190 M HA 0.383 4.863 4.480 0.000 0.000 0.256 190 M C -1.908 174.316 176.300 -0.127 0.000 0.911 190 M CA -0.750 54.531 55.300 -0.032 0.000 0.794 190 M CB 1.129 33.697 32.600 -0.055 0.000 1.643 190 M HN -0.083 nan 8.290 nan 0.000 0.572 191 I N 2.224 122.710 120.570 -0.139 0.000 2.395 191 I HA 0.629 4.799 4.170 0.000 0.000 0.289 191 I C -0.648 175.471 176.117 0.004 0.000 1.023 191 I CA -0.821 60.362 61.300 -0.196 0.000 1.350 191 I CB 1.525 39.341 38.000 -0.306 0.000 1.409 191 I HN 0.417 nan 8.210 nan 0.000 0.507 192 V N 6.193 126.018 119.914 -0.148 0.000 2.841 192 V HA 0.550 4.670 4.120 0.000 0.000 0.310 192 V C -1.092 175.061 176.094 0.099 0.000 1.090 192 V CA -0.561 61.672 62.300 -0.112 0.000 0.930 192 V CB 2.152 33.696 31.823 -0.466 0.000 1.014 192 V HN 0.835 nan 8.190 nan 0.000 0.425 193 W N 2.578 123.846 121.300 -0.054 0.000 3.256 193 W HA 0.845 5.505 4.660 0.000 0.000 0.324 193 W C -0.079 176.395 176.519 -0.075 0.000 1.196 193 W CA -0.404 56.903 57.345 -0.062 0.000 1.206 193 W CB 1.188 30.511 29.460 -0.229 0.000 1.385 193 W HN 1.175 nan 8.180 nan 0.000 0.522 194 G N 2.037 110.991 108.800 0.258 0.000 2.265 194 G HA2 -0.091 3.869 3.960 0.000 0.000 0.246 194 G HA3 -0.091 3.869 3.960 0.000 0.000 0.246 194 G C -1.772 173.256 174.900 0.214 0.000 1.299 194 G CA -0.669 44.539 45.100 0.180 0.000 1.117 194 G HN 0.851 nan 8.290 nan 0.000 0.485 195 N N 0.890 119.660 118.700 0.117 0.000 2.558 195 N HA 0.522 5.262 4.740 0.000 0.000 0.233 195 N C 0.697 176.231 175.510 0.040 0.000 1.038 195 N CA 0.632 53.736 53.050 0.089 0.000 0.934 195 N CB 0.861 39.391 38.487 0.071 0.000 1.175 195 N HN 1.131 nan 8.380 nan 0.000 0.512 196 G N 1.799 110.640 108.800 0.068 0.000 3.541 196 G HA2 0.269 4.229 3.960 0.000 0.000 0.253 196 G HA3 0.269 4.229 3.960 0.000 0.000 0.253 196 G C -0.466 174.446 174.900 0.021 0.000 1.017 196 G CA -0.296 44.838 45.100 0.056 0.000 1.832 196 G HN 0.500 nan 8.290 nan 0.000 0.649 197 S N -0.802 114.898 115.700 0.001 0.000 2.563 197 S HA 0.414 4.884 4.470 0.000 0.000 0.279 197 S C 0.915 175.505 174.600 -0.018 0.000 1.155 197 S CA -0.406 57.788 58.200 -0.010 0.000 0.928 197 S CB 1.343 64.537 63.200 -0.010 0.000 1.107 197 S HN 0.078 nan 8.310 nan 0.000 0.462 198 S N 3.462 119.148 115.700 -0.022 0.000 2.425 198 S HA -0.062 4.408 4.470 0.000 0.000 0.225 198 S C 1.650 176.238 174.600 -0.020 0.000 1.024 198 S CA 1.523 59.708 58.200 -0.025 0.000 0.951 198 S CB -0.343 62.840 63.200 -0.028 0.000 0.796 198 S HN 0.903 nan 8.310 nan 0.000 0.498 199 N N 0.846 119.535 118.700 -0.018 0.000 2.368 199 N HA -0.008 4.732 4.740 0.000 0.000 0.176 199 N C 0.089 175.590 175.510 -0.014 0.000 1.021 199 N CA 0.635 53.676 53.050 -0.016 0.000 0.888 199 N CB -0.494 37.983 38.487 -0.017 0.000 0.995 199 N HN -0.015 nan 8.380 nan 0.000 0.437 200 T N 1.734 116.280 114.554 -0.013 0.000 2.728 200 T HA 0.165 4.515 4.350 0.000 0.000 0.296 200 T C -1.008 173.689 174.700 -0.005 0.000 0.940 200 T CA -0.489 61.605 62.100 -0.011 0.000 1.013 200 T CB 0.666 69.526 68.868 -0.013 0.000 0.912 200 T HN 0.115 nan 8.240 nan 0.000 0.484 201 D N 2.512 122.909 120.400 -0.004 0.000 2.389 201 D HA 0.478 5.118 4.640 0.000 0.000 0.247 201 D C 0.444 176.750 176.300 0.009 0.000 1.128 201 D CA 0.263 54.264 54.000 0.002 0.000 0.884 201 D CB 1.318 42.118 40.800 0.000 0.000 1.194 201 D HN 0.720 nan 8.370 nan 0.000 0.441 202 G N -0.177 108.635 108.800 0.020 0.000 2.766 202 G HA2 0.513 4.473 3.960 0.000 0.000 0.297 202 G HA3 0.513 4.473 3.960 0.000 0.000 0.297 202 G C -1.443 173.488 174.900 0.053 0.000 1.431 202 G CA -0.474 44.647 45.100 0.034 0.000 1.042 202 G HN 0.312 nan 8.290 nan 0.000 0.542 203 V N 0.531 120.478 119.914 0.054 0.000 2.577 203 V HA 0.902 5.022 4.120 0.000 0.000 0.303 203 V C 0.057 176.194 176.094 0.073 0.000 1.042 203 V CA -0.356 61.985 62.300 0.068 0.000 0.872 203 V CB 1.331 33.176 31.823 0.037 0.000 0.998 203 V HN 1.529 nan 8.190 nan 0.000 0.423 204 A N 3.437 126.336 122.820 0.131 0.000 2.574 204 A HA 0.977 5.297 4.320 0.000 0.000 0.297 204 A C -0.703 176.978 177.584 0.161 0.000 1.062 204 A CA -0.198 51.883 52.037 0.073 0.000 0.686 204 A CB 1.898 20.911 19.000 0.022 0.000 1.285 204 A HN 1.555 nan 8.150 nan 0.000 0.403 205 A N 0.941 123.780 122.820 0.032 0.000 2.304 205 A HA 0.740 5.060 4.320 0.000 0.000 0.323 205 A C -1.499 176.219 177.584 0.224 0.000 1.195 205 A CA -0.286 51.874 52.037 0.205 0.000 0.826 205 A CB 0.307 19.397 19.000 0.150 0.000 1.184 205 A HN 0.782 nan 8.150 nan 0.000 0.496 206 Y N 1.392 121.930 120.300 0.396 0.000 2.335 206 Y HA 0.439 4.989 4.550 0.000 0.000 0.338 206 Y C 1.325 177.404 175.900 0.299 0.000 0.977 206 Y CA -0.573 57.728 58.100 0.335 0.000 1.114 206 Y CB 2.035 40.608 38.460 0.189 0.000 1.182 206 Y HN 0.823 nan 8.280 nan 0.000 0.463 207 R N 0.560 121.249 120.500 0.314 0.000 2.156 207 R HA 0.081 4.421 4.340 0.000 0.000 0.207 207 R C -0.317 175.977 176.300 -0.009 0.000 1.040 207 R CA 0.765 56.921 56.100 0.092 0.000 1.013 207 R CB 0.578 30.817 30.300 -0.103 0.000 0.931 207 R HN 0.630 nan 8.270 nan 0.000 0.465 208 D N -0.666 119.747 120.400 0.021 0.000 2.706 208 D HA 0.207 4.847 4.640 0.000 0.000 0.225 208 D C -1.521 174.738 176.300 -0.069 0.000 1.241 208 D CA -0.419 53.530 54.000 -0.084 0.000 0.784 208 D CB 1.985 42.735 40.800 -0.082 0.000 1.521 208 D HN -0.207 nan 8.370 nan 0.000 0.461 209 I N 2.376 122.845 120.570 -0.167 0.000 2.534 209 I HA 0.343 4.513 4.170 0.000 0.000 0.288 209 I C -0.424 175.699 176.117 0.010 0.000 1.077 209 I CA -0.512 60.675 61.300 -0.188 0.000 1.051 209 I CB 1.899 39.452 38.000 -0.745 0.000 1.234 209 I HN 0.271 nan 8.210 nan 0.000 0.425 210 K N 5.935 126.407 120.400 0.121 0.000 2.541 210 K HA 0.449 4.769 4.320 0.000 0.000 0.250 210 K C -1.517 175.255 176.600 0.288 0.000 0.950 210 K CA -0.576 55.819 56.287 0.179 0.000 0.805 210 K CB 2.915 35.468 32.500 0.089 0.000 1.166 210 K HN 0.364 nan 8.250 nan 0.000 0.430 211 F N 2.869 122.938 119.950 0.199 0.000 2.449 211 F HA 0.300 4.827 4.527 0.000 0.000 0.342 211 F C -0.485 175.432 175.800 0.194 0.000 1.127 211 F CA -0.530 57.592 58.000 0.204 0.000 0.975 211 F CB 1.284 40.384 39.000 0.166 0.000 1.146 211 F HN 0.484 nan 8.300 nan 0.000 0.444 212 E N 7.033 126.979 120.200 -0.423 0.000 2.210 212 E HA 0.467 4.817 4.350 0.000 0.000 0.266 212 E C -1.352 175.036 176.600 -0.353 0.000 0.883 212 E CA -0.702 55.536 56.400 -0.269 0.000 0.761 212 E CB 1.368 30.995 29.700 -0.121 0.000 1.156 212 E HN 0.699 nan 8.360 nan 0.000 0.412 213 I N 4.393 124.891 120.570 -0.120 0.000 2.331 213 I HA 0.157 4.327 4.170 0.000 0.000 0.292 213 I C 0.454 176.607 176.117 0.060 0.000 0.998 213 I CA -0.819 60.494 61.300 0.021 0.000 1.267 213 I CB 1.287 39.389 38.000 0.169 0.000 1.386 213 I HN 0.441 nan 8.210 nan 0.000 0.476 214 Q N 3.637 123.508 119.800 0.119 0.000 2.318 214 Q HA 0.316 4.656 4.340 0.000 0.000 0.222 214 Q C 1.009 177.041 176.000 0.054 0.000 1.003 214 Q CA 0.169 56.027 55.803 0.091 0.000 0.936 214 Q CB 1.091 29.909 28.738 0.134 0.000 1.204 214 Q HN 0.984 nan 8.270 nan 0.000 0.524 215 G N 1.223 109.965 108.800 -0.096 0.000 2.132 215 G HA2 -0.186 3.774 3.960 0.000 0.000 0.234 215 G HA3 -0.186 3.774 3.960 0.000 0.000 0.234 215 G C -0.490 174.185 174.900 -0.375 0.000 0.989 215 G CA -0.017 44.828 45.100 -0.424 0.000 0.676 215 G HN 0.544 nan 8.290 nan 0.000 0.522 216 D N 0.126 120.419 120.400 -0.179 0.000 2.488 216 D HA 0.331 4.971 4.640 0.000 0.000 0.238 216 D C 0.973 177.145 176.300 -0.213 0.000 1.138 216 D CA 0.121 54.035 54.000 -0.144 0.000 0.873 216 D CB 1.436 42.198 40.800 -0.064 0.000 1.183 216 D HN 0.147 nan 8.370 nan 0.000 0.458 217 V N 3.929 123.724 119.914 -0.197 0.000 2.508 217 V HA 0.063 4.183 4.120 0.000 0.000 0.281 217 V C 1.470 177.380 176.094 -0.307 0.000 1.041 217 V CA 0.019 62.188 62.300 -0.219 0.000 1.016 217 V CB 1.307 33.044 31.823 -0.142 0.000 0.984 217 V HN 0.538 nan 8.190 nan 0.000 0.478 218 I N 3.675 123.973 120.570 -0.453 0.000 3.616 218 I HA 0.316 4.486 4.170 0.000 0.000 0.296 218 I C -0.297 175.302 176.117 -0.862 0.000 1.226 218 I CA 0.570 61.373 61.300 -0.828 0.000 1.394 218 I CB 0.564 37.814 38.000 -1.250 0.000 1.171 218 I HN 0.447 nan 8.210 nan 0.000 0.442 219 F N 1.144 120.945 119.950 -0.248 0.000 2.569 219 F HA 0.526 5.053 4.527 0.000 0.000 0.312 219 F C -0.217 175.502 175.800 -0.134 0.000 1.109 219 F CA -0.744 57.147 58.000 -0.182 0.000 0.919 219 F CB 1.364 40.260 39.000 -0.175 0.000 1.211 219 F HN -0.289 nan 8.300 nan 0.000 0.446 220 R N 0.709 121.262 120.500 0.087 0.000 2.474 220 R HA 0.629 4.969 4.340 0.000 0.000 0.295 220 R C 0.345 176.651 176.300 0.010 0.000 0.980 220 R CA -0.923 55.191 56.100 0.024 0.000 0.934 220 R CB 1.445 31.748 30.300 0.004 0.000 1.101 220 R HN 0.862 nan 8.270 nan 0.000 0.469 221 G N 1.889 110.686 108.800 -0.005 0.000 2.614 221 G HA2 0.064 4.024 3.960 0.000 0.000 0.239 221 G HA3 0.064 4.024 3.960 0.000 0.000 0.239 221 G C -1.191 173.696 174.900 -0.023 0.000 1.240 221 G CA -0.933 44.154 45.100 -0.022 0.000 0.842 221 G HN 0.492 nan 8.290 nan 0.000 0.584 222 P HA 0.036 nan 4.420 nan 0.000 0.244 222 P C -0.358 176.901 177.300 -0.068 0.000 1.211 222 P CA 0.035 63.105 63.100 -0.049 0.000 0.760 222 P CB 0.207 31.879 31.700 -0.047 0.000 0.961 223 D N 1.240 121.600 120.400 -0.068 0.000 2.382 223 D HA 0.223 4.863 4.640 0.000 0.000 0.240 223 D C 0.942 177.173 176.300 -0.114 0.000 1.146 223 D CA 0.508 54.446 54.000 -0.104 0.000 0.897 223 D CB 1.033 41.760 40.800 -0.120 0.000 1.197 223 D HN 0.119 nan 8.370 nan 0.000 0.432 224 R N 0.247 120.658 120.500 -0.148 0.000 2.829 224 R HA 0.365 4.705 4.340 0.000 0.000 0.267 224 R C -0.800 175.411 176.300 -0.149 0.000 1.051 224 R CA -0.942 55.065 56.100 -0.155 0.000 0.927 224 R CB 1.211 31.391 30.300 -0.199 0.000 1.292 224 R HN 0.271 nan 8.270 nan 0.000 0.445 225 I N 0.196 120.687 120.570 -0.133 0.000 7.141 225 I HA -0.130 4.040 4.170 0.000 0.000 0.126 225 I C -2.402 173.732 176.117 0.028 0.000 1.833 225 I CA -0.197 61.095 61.300 -0.013 0.000 2.047 225 I CB -2.193 35.804 38.000 -0.006 0.000 3.597 225 I HN 0.500 nan 8.210 nan 0.000 0.172 226 P HA 0.485 nan 4.420 nan 0.000 0.281 226 P C -0.144 177.248 177.300 0.154 0.000 1.249 226 P CA 0.050 63.212 63.100 0.104 0.000 0.810 226 P CB 2.130 33.903 31.700 0.122 0.000 1.008 227 S N 1.903 117.731 115.700 0.214 0.000 2.570 227 S HA 0.810 5.280 4.470 0.000 0.000 0.270 227 S C -0.994 173.808 174.600 0.337 0.000 1.149 227 S CA -0.761 57.594 58.200 0.258 0.000 0.837 227 S CB 1.582 64.910 63.200 0.212 0.000 1.124 227 S HN 0.557 nan 8.310 nan 0.000 0.465 228 I N 0.767 121.517 120.570 0.300 0.000 2.842 228 I HA 0.785 4.955 4.170 0.000 0.000 0.297 228 I C -1.791 174.299 176.117 -0.045 0.000 1.380 228 I CA -0.728 60.699 61.300 0.212 0.000 1.018 228 I CB 1.960 40.063 38.000 0.171 0.000 1.311 228 I HN 0.809 nan 8.210 nan 0.000 0.439 229 V N 5.710 125.501 119.914 -0.205 0.000 3.147 229 V HA 0.989 5.109 4.120 0.000 0.000 0.306 229 V C -1.414 174.363 176.094 -0.527 0.000 1.209 229 V CA 0.063 61.848 62.300 -0.859 0.000 1.023 229 V CB 2.122 33.610 31.823 -0.559 0.000 1.059 229 V HN 0.982 nan 8.190 nan 0.000 0.435 230 A N 2.370 124.799 122.820 -0.653 0.000 2.498 230 A HA 0.853 5.173 4.320 0.000 0.000 0.298 230 A C -0.586 176.678 177.584 -0.533 0.000 1.075 230 A CA -0.128 51.721 52.037 -0.315 0.000 0.714 230 A CB 1.968 20.920 19.000 -0.079 0.000 1.299 230 A HN 1.337 nan 8.150 nan 0.000 0.407 231 S N 0.138 115.502 115.700 -0.560 0.000 2.537 231 S HA 0.403 4.873 4.470 0.000 0.000 0.275 231 S C 1.235 175.575 174.600 -0.434 0.000 1.272 231 S CA 0.161 57.835 58.200 -0.877 0.000 1.050 231 S CB 0.658 63.623 63.200 -0.391 0.000 0.961 231 S HN 1.507 nan 8.310 nan 0.000 0.496 232 S N 3.825 119.330 115.700 -0.325 0.000 2.483 232 S HA 0.027 4.497 4.470 0.000 0.000 0.221 232 S C 1.530 176.138 174.600 0.014 0.000 1.030 232 S CA 0.369 58.535 58.200 -0.058 0.000 0.925 232 S CB -0.274 62.958 63.200 0.052 0.000 0.795 232 S HN 0.522 nan 8.310 nan 0.000 0.511 233 V N 1.933 121.904 119.914 0.095 0.000 2.488 233 V HA 0.048 4.168 4.120 0.000 0.000 0.246 233 V C 0.854 176.963 176.094 0.024 0.000 1.046 233 V CA 1.477 63.827 62.300 0.083 0.000 1.053 233 V CB -0.645 31.262 31.823 0.140 0.000 0.679 233 V HN 0.562 nan 8.190 nan 0.000 0.458 234 T N 1.543 116.096 114.554 -0.000 0.000 3.250 234 T HA 0.332 4.682 4.350 0.000 0.000 0.391 234 T C -2.619 172.042 174.700 -0.064 0.000 1.502 234 T CA -1.078 61.004 62.100 -0.029 0.000 1.320 234 T CB 1.159 70.013 68.868 -0.023 0.000 1.102 234 T HN 0.137 nan 8.240 nan 0.000 0.610 235 P HA 0.186 nan 4.420 nan 0.000 0.261 235 P C 1.170 178.417 177.300 -0.088 0.000 1.173 235 P CA 1.275 64.329 63.100 -0.076 0.000 0.760 235 P CB 0.313 31.976 31.700 -0.061 0.000 0.783 236 G N 1.270 110.008 108.800 -0.104 0.000 2.232 236 G HA2 -0.207 3.753 3.960 0.000 0.000 0.226 236 G HA3 -0.207 3.753 3.960 0.000 0.000 0.226 236 G C 0.020 174.826 174.900 -0.156 0.000 0.996 236 G CA -0.213 44.811 45.100 -0.127 0.000 0.626 236 G HN 0.531 nan 8.290 nan 0.000 0.509 237 V N 1.769 121.604 119.914 -0.133 0.000 2.455 237 V HA 0.578 4.698 4.120 0.000 0.000 0.273 237 V C 0.421 176.429 176.094 -0.143 0.000 1.045 237 V CA -0.320 61.905 62.300 -0.124 0.000 0.976 237 V CB 1.458 33.248 31.823 -0.054 0.000 0.993 237 V HN 0.373 nan 8.190 nan 0.000 0.475 238 V N 4.047 123.861 119.914 -0.167 0.000 2.656 238 V HA 0.557 4.677 4.120 0.000 0.000 0.307 238 V C -0.056 176.022 176.094 -0.027 0.000 1.051 238 V CA -0.439 61.795 62.300 -0.111 0.000 0.893 238 V CB 2.445 34.200 31.823 -0.114 0.000 0.999 238 V HN 0.878 nan 8.190 nan 0.000 0.426 239 T N 3.698 118.261 114.554 0.014 0.000 2.809 239 T HA 0.772 5.122 4.350 0.000 0.000 0.284 239 T C -0.153 174.504 174.700 -0.070 0.000 0.992 239 T CA -0.284 61.789 62.100 -0.044 0.000 0.957 239 T CB 1.642 70.454 68.868 -0.093 0.000 0.942 239 T HN 0.982 nan 8.240 nan 0.000 0.439 240 A N 3.037 125.741 122.820 -0.194 0.000 2.337 240 A HA 0.984 5.304 4.320 0.000 0.000 0.331 240 A C -1.307 176.008 177.584 -0.448 0.000 1.137 240 A CA -0.657 51.294 52.037 -0.144 0.000 0.807 240 A CB 0.839 19.758 19.000 -0.135 0.000 1.250 240 A HN 0.687 nan 8.150 nan 0.000 0.468 241 F N -0.508 119.556 119.950 0.190 0.000 2.613 241 F HA 0.834 5.361 4.527 0.000 0.000 0.314 241 F C 0.405 176.043 175.800 -0.270 0.000 1.075 241 F CA 0.054 58.040 58.000 -0.024 0.000 0.945 241 F CB 2.364 41.349 39.000 -0.024 0.000 1.310 241 F HN 0.943 nan 8.300 nan 0.000 0.467 242 A N 0.260 122.855 122.820 -0.374 0.000 2.536 242 A HA 0.678 4.998 4.320 0.000 0.000 0.293 242 A C -1.850 175.515 177.584 -0.365 0.000 1.119 242 A CA -0.923 50.824 52.037 -0.483 0.000 0.654 242 A CB 1.313 19.700 19.000 -1.021 0.000 1.291 242 A HN 0.697 nan 8.150 nan 0.000 0.439 243 E N 0.656 120.693 120.200 -0.271 0.000 2.134 243 E HA 0.385 4.735 4.350 0.000 0.000 0.278 243 E C -0.896 175.583 176.600 -0.202 0.000 0.959 243 E CA -0.706 55.583 56.400 -0.185 0.000 0.783 243 E CB 1.509 31.148 29.700 -0.102 0.000 1.095 243 E HN 0.412 nan 8.360 nan 0.000 0.399 244 K N 3.506 123.798 120.400 -0.180 0.000 2.310 244 K HA 0.109 4.429 4.320 0.000 0.000 0.290 244 K C -0.609 175.938 176.600 -0.088 0.000 1.077 244 K CA -0.050 56.152 56.287 -0.141 0.000 0.922 244 K CB 0.396 32.817 32.500 -0.132 0.000 1.057 244 K HN 0.323 nan 8.250 nan 0.000 0.479 245 R N 3.920 124.372 120.500 -0.080 0.000 2.423 245 R HA 0.247 4.587 4.340 0.000 0.000 0.293 245 R C -0.836 175.436 176.300 -0.048 0.000 1.196 245 R CA -0.763 55.301 56.100 -0.060 0.000 1.262 245 R CB 0.978 31.236 30.300 -0.070 0.000 1.116 245 R HN 0.298 nan 8.270 nan 0.000 0.566 246 V N 2.515 122.407 119.914 -0.037 0.000 2.415 246 V HA 0.230 4.350 4.120 0.000 0.000 0.267 246 V C 1.343 177.419 176.094 -0.029 0.000 1.042 246 V CA 0.946 63.228 62.300 -0.031 0.000 1.000 246 V CB 0.698 32.505 31.823 -0.025 0.000 1.015 246 V HN 1.118 nan 8.190 nan 0.000 0.478 247 G N 3.518 112.300 108.800 -0.030 0.000 2.218 247 G HA2 0.122 4.082 3.960 0.000 0.000 0.216 247 G HA3 0.122 4.082 3.960 0.000 0.000 0.216 247 G C 0.771 175.649 174.900 -0.036 0.000 0.994 247 G CA -0.130 44.952 45.100 -0.030 0.000 0.637 247 G HN 2.148 nan 8.290 nan 0.000 0.505 248 G N -0.738 108.037 108.800 -0.042 0.000 2.846 248 G HA2 0.482 4.442 3.960 0.000 0.000 0.660 248 G HA3 0.482 4.442 3.960 0.000 0.000 0.660 248 G C 1.283 176.148 174.900 -0.058 0.000 1.464 248 G CA 1.075 46.145 45.100 -0.051 0.000 0.891 248 G HN 2.732 nan 8.290 nan 0.000 0.552 249 G N -0.136 108.622 108.800 -0.070 0.000 2.699 249 G HA2 0.353 4.313 3.960 0.000 0.000 0.686 249 G HA3 0.353 4.313 3.960 0.000 0.000 0.686 249 G C -0.356 174.488 174.900 -0.093 0.000 1.301 249 G CA 0.414 45.467 45.100 -0.078 0.000 0.816 249 G HN 1.416 nan 8.290 nan 0.000 0.595 250 D N 1.847 122.184 120.400 -0.107 0.000 2.368 250 D HA 0.407 5.047 4.640 0.000 0.000 0.240 250 D C -1.313 174.893 176.300 -0.157 0.000 1.169 250 D CA -0.130 53.790 54.000 -0.133 0.000 0.906 250 D CB 0.481 41.195 40.800 -0.143 0.000 1.187 250 D HN 0.393 nan 8.370 nan 0.000 0.435 251 P HA 0.080 nan 4.420 nan 0.000 0.269 251 P C 0.696 177.809 177.300 -0.311 0.000 1.215 251 P CA 0.130 63.077 63.100 -0.256 0.000 0.780 251 P CB 0.738 32.199 31.700 -0.398 0.000 0.898 252 G N 0.094 108.768 108.800 -0.210 0.000 2.195 252 G HA2 -0.079 3.881 3.960 0.000 0.000 0.224 252 G HA3 -0.079 3.881 3.960 0.000 0.000 0.224 252 G C 0.245 175.084 174.900 -0.103 0.000 0.990 252 G CA 0.057 45.055 45.100 -0.170 0.000 0.639 252 G HN 0.868 nan 8.290 nan 0.000 0.514 253 A N -0.044 122.723 122.820 -0.089 0.000 2.331 253 A HA 0.770 5.090 4.320 0.000 0.000 0.283 253 A C 1.288 178.844 177.584 -0.045 0.000 1.142 253 A CA 0.228 52.227 52.037 -0.063 0.000 0.812 253 A CB 0.882 19.845 19.000 -0.063 0.000 1.074 253 A HN 0.987 nan 8.150 nan 0.000 0.497 254 L N 2.824 124.024 121.223 -0.037 0.000 2.201 254 L HA -0.102 4.238 4.340 0.000 0.000 0.212 254 L C 2.438 179.291 176.870 -0.030 0.000 1.105 254 L CA 2.670 57.492 54.840 -0.031 0.000 0.775 254 L CB -0.342 41.701 42.059 -0.026 0.000 0.913 254 L HN 0.803 nan 8.230 nan 0.000 0.440 255 S N -0.784 114.898 115.700 -0.031 0.000 2.603 255 S HA 0.083 4.553 4.470 0.000 0.000 0.220 255 S C 0.418 175.000 174.600 -0.030 0.000 0.967 255 S CA -0.015 58.168 58.200 -0.029 0.000 0.920 255 S CB -0.976 62.207 63.200 -0.028 0.000 0.773 255 S HN 0.655 nan 8.310 nan 0.000 0.529 256 N N -0.331 118.350 118.700 -0.031 0.000 2.357 256 N HA 0.482 5.222 4.740 0.000 0.000 0.284 256 N C -1.746 173.753 175.510 -0.019 0.000 1.236 256 N CA -0.654 52.379 53.050 -0.029 0.000 0.774 256 N CB 1.189 39.654 38.487 -0.037 0.000 1.534 256 N HN -0.102 nan 8.380 nan 0.000 0.478 257 T N 0.933 115.481 114.554 -0.010 0.000 2.930 257 T HA 0.463 4.813 4.350 0.000 0.000 0.313 257 T C -1.238 173.475 174.700 0.021 0.000 1.019 257 T CA -0.673 61.434 62.100 0.012 0.000 1.004 257 T CB 0.068 68.941 68.868 0.009 0.000 0.987 257 T HN 0.474 nan 8.240 nan 0.000 0.456 258 N N 2.833 121.562 118.700 0.049 0.000 2.399 258 N HA 0.584 5.324 4.740 0.000 0.000 0.295 258 N C -0.755 174.827 175.510 0.121 0.000 1.048 258 N CA -0.603 52.477 53.050 0.049 0.000 0.886 258 N CB 1.476 39.984 38.487 0.035 0.000 1.185 258 N HN 0.520 nan 8.380 nan 0.000 0.487 259 D N 0.186 120.608 120.400 0.036 0.000 2.566 259 D HA 0.443 5.083 4.640 0.000 0.000 0.254 259 D C -0.170 176.045 176.300 -0.142 0.000 1.090 259 D CA -0.371 53.617 54.000 -0.021 0.000 1.034 259 D CB 2.072 42.807 40.800 -0.108 0.000 1.434 259 D HN 0.152 nan 8.370 nan 0.000 0.509 260 I N 2.008 122.389 120.570 -0.315 0.000 2.353 260 I HA 0.363 4.533 4.170 0.000 0.000 0.293 260 I C 0.468 176.382 176.117 -0.337 0.000 0.992 260 I CA -0.464 60.622 61.300 -0.357 0.000 1.268 260 I CB 0.691 38.323 38.000 -0.613 0.000 1.387 260 I HN 0.297 nan 8.210 nan 0.000 0.478 261 I N 2.388 122.784 120.570 -0.289 0.000 2.846 261 I HA 0.813 4.983 4.170 0.000 0.000 0.307 261 I C -0.199 175.783 176.117 -0.224 0.000 1.053 261 I CA -0.556 60.583 61.300 -0.267 0.000 1.050 261 I CB 2.436 40.283 38.000 -0.255 0.000 1.239 261 I HN 0.486 nan 8.210 nan 0.000 0.439 262 T N 2.266 116.727 114.554 -0.155 0.000 2.868 262 T HA 0.602 4.952 4.350 0.000 0.000 0.306 262 T C -1.220 173.472 174.700 -0.013 0.000 1.224 262 T CA -0.705 61.288 62.100 -0.179 0.000 1.012 262 T CB 1.837 70.455 68.868 -0.417 0.000 1.221 262 T HN 0.823 nan 8.240 nan 0.000 0.499 263 R N 1.435 121.918 120.500 -0.028 0.000 2.651 263 R HA 0.652 4.992 4.340 0.000 0.000 0.278 263 R C -1.241 175.149 176.300 0.150 0.000 1.010 263 R CA -0.860 55.260 56.100 0.033 0.000 0.896 263 R CB 2.472 32.694 30.300 -0.131 0.000 1.211 263 R HN 0.612 nan 8.270 nan 0.000 0.456 264 T N 0.409 115.074 114.554 0.185 0.000 2.863 264 T HA 0.399 4.749 4.350 0.000 0.000 0.285 264 T C -0.812 173.864 174.700 -0.039 0.000 1.009 264 T CA -0.541 61.610 62.100 0.085 0.000 0.989 264 T CB 1.872 70.704 68.868 -0.059 0.000 1.004 264 T HN 0.420 nan 8.240 nan 0.000 0.455 265 S N 0.886 116.359 115.700 -0.379 0.000 2.513 265 S HA 0.510 4.980 4.470 0.000 0.000 0.299 265 S C 0.281 174.645 174.600 -0.393 0.000 1.087 265 S CA -0.830 56.958 58.200 -0.687 0.000 1.012 265 S CB 0.996 63.270 63.200 -1.544 0.000 1.044 265 S HN 0.679 nan 8.310 nan 0.000 0.485 266 R N 1.226 121.542 120.500 -0.307 0.000 2.508 266 R HA 0.182 4.522 4.340 0.000 0.000 0.300 266 R C -0.600 175.577 176.300 -0.205 0.000 0.970 266 R CA 0.157 56.138 56.100 -0.198 0.000 1.102 266 R CB 0.288 30.515 30.300 -0.122 0.000 1.246 266 R HN 0.687 nan 8.270 nan 0.000 0.539 267 D N -0.707 119.528 120.400 -0.274 0.000 2.696 267 D HA 0.147 4.787 4.640 0.000 0.000 0.269 267 D C 0.879 177.035 176.300 -0.239 0.000 1.319 267 D CA -0.165 53.697 54.000 -0.230 0.000 0.826 267 D CB 0.626 41.295 40.800 -0.218 0.000 1.086 267 D HN 0.124 nan 8.370 nan 0.000 0.481 268 G N -0.449 108.199 108.800 -0.253 0.000 2.136 268 G HA2 0.002 3.962 3.960 0.000 0.000 0.242 268 G HA3 0.002 3.962 3.960 0.000 0.000 0.242 268 G C 1.090 175.848 174.900 -0.235 0.000 0.989 268 G CA 0.172 45.150 45.100 -0.203 0.000 0.682 268 G HN 1.439 nan 8.290 nan 0.000 0.522 269 G N -1.421 107.102 108.800 -0.461 0.000 2.131 269 G HA2 -0.173 3.787 3.960 0.000 0.000 0.223 269 G HA3 -0.173 3.787 3.960 0.000 0.000 0.223 269 G C 0.982 175.690 174.900 -0.321 0.000 0.990 269 G CA 0.609 45.412 45.100 -0.494 0.000 0.671 269 G HN 0.843 nan 8.290 nan 0.000 0.521 270 I N 1.274 121.613 120.570 -0.385 0.000 2.385 270 I HA 0.129 4.299 4.170 0.000 0.000 0.244 270 I C 1.779 177.744 176.117 -0.254 0.000 1.089 270 I CA 2.267 63.431 61.300 -0.228 0.000 1.410 270 I CB -1.292 36.581 38.000 -0.210 0.000 1.117 270 I HN 0.494 nan 8.210 nan 0.000 0.429 271 T N -2.085 112.218 114.554 -0.419 0.000 2.885 271 T HA 0.517 4.867 4.350 0.000 0.000 0.285 271 T C -1.285 173.081 174.700 -0.557 0.000 1.019 271 T CA -0.509 61.413 62.100 -0.298 0.000 1.010 271 T CB 1.883 70.635 68.868 -0.192 0.000 1.022 271 T HN 0.086 nan 8.240 nan 0.000 0.466 272 W N 1.284 122.510 121.300 -0.123 0.000 2.864 272 W HA 0.498 5.158 4.660 0.000 0.000 0.343 272 W C -0.131 176.326 176.519 -0.103 0.000 1.109 272 W CA -0.680 56.586 57.345 -0.133 0.000 1.192 272 W CB 1.322 30.666 29.460 -0.192 0.000 1.426 272 W HN 0.909 nan 8.180 nan 0.000 0.529 273 D N -0.490 119.994 120.400 0.139 0.000 2.440 273 D HA 0.261 4.901 4.640 0.000 0.000 0.269 273 D C -0.011 176.334 176.300 0.075 0.000 1.249 273 D CA -0.406 53.641 54.000 0.079 0.000 1.055 273 D CB -0.388 40.451 40.800 0.065 0.000 1.104 273 D HN 0.119 nan 8.370 nan 0.000 0.561 274 T N 0.007 114.592 114.554 0.052 0.000 2.928 274 T HA 0.032 4.382 4.350 0.000 0.000 0.305 274 T C 0.421 175.141 174.700 0.032 0.000 1.035 274 T CA -0.069 62.052 62.100 0.035 0.000 1.145 274 T CB 0.119 69.005 68.868 0.030 0.000 0.963 274 T HN 0.388 nan 8.240 nan 0.000 0.545 275 E N 1.821 122.034 120.200 0.021 0.000 2.480 275 E HA 0.118 4.468 4.350 0.000 0.000 0.258 275 E C -0.790 175.811 176.600 0.002 0.000 0.984 275 E CA -0.421 56.002 56.400 0.038 0.000 0.930 275 E CB 0.264 30.000 29.700 0.059 0.000 0.936 275 E HN 0.346 nan 8.360 nan 0.000 0.466 276 L N 5.755 126.959 121.223 -0.031 0.000 2.333 276 L HA 0.343 4.683 4.340 0.000 0.000 0.280 276 L C -0.877 175.889 176.870 -0.174 0.000 1.004 276 L CA -0.591 54.192 54.840 -0.096 0.000 0.820 276 L CB 1.611 43.601 42.059 -0.115 0.000 1.247 276 L HN 0.453 nan 8.230 nan 0.000 0.416 277 N N 5.039 123.638 118.700 -0.169 0.000 2.415 277 N HA 0.188 4.928 4.740 0.000 0.000 0.246 277 N C 0.559 175.896 175.510 -0.289 0.000 1.078 277 N CA 0.001 52.921 53.050 -0.216 0.000 0.942 277 N CB 0.815 39.206 38.487 -0.159 0.000 1.140 277 N HN 0.829 nan 8.380 nan 0.000 0.501 278 L N 2.043 123.023 121.223 -0.404 0.000 2.341 278 L HA -0.021 4.319 4.340 0.000 0.000 0.214 278 L C 1.785 178.358 176.870 -0.494 0.000 1.115 278 L CA 0.991 55.544 54.840 -0.479 0.000 0.820 278 L CB -0.100 41.586 42.059 -0.622 0.000 0.944 278 L HN 0.590 nan 8.230 nan 0.000 0.452 279 T N -5.208 108.993 114.554 -0.588 0.000 3.023 279 T HA 0.001 4.351 4.350 0.000 0.000 0.253 279 T C 1.429 175.841 174.700 -0.479 0.000 1.038 279 T CA -0.039 61.595 62.100 -0.778 0.000 0.962 279 T CB 0.325 68.296 68.868 -1.495 0.000 1.018 279 T HN 0.215 nan 8.240 nan 0.000 0.521 280 E N 1.712 121.742 120.200 -0.284 0.000 2.130 280 E HA -0.318 4.032 4.350 0.000 0.000 0.196 280 E C 2.211 178.752 176.600 -0.098 0.000 0.998 280 E CA 1.392 57.709 56.400 -0.139 0.000 0.806 280 E CB -0.216 29.416 29.700 -0.114 0.000 0.738 280 E HN 0.732 nan 8.360 nan 0.000 0.459 281 Q N 0.599 120.324 119.800 -0.125 0.000 2.291 281 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 281 Q C 1.714 177.686 176.000 -0.046 0.000 0.976 281 Q CA 1.605 57.364 55.803 -0.074 0.000 0.875 281 Q CB -0.157 28.536 28.738 -0.075 0.000 0.927 281 Q HN 0.609 nan 8.270 nan 0.000 0.450 282 I N -2.952 117.566 120.570 -0.086 0.000 3.762 282 I HA 0.425 4.595 4.170 0.000 0.000 0.333 282 I C -0.072 176.157 176.117 0.186 0.000 1.566 282 I CA -0.434 60.864 61.300 -0.003 0.000 1.129 282 I CB 0.454 38.376 38.000 -0.130 0.000 1.218 282 I HN -0.075 nan 8.210 nan 0.000 0.456 283 N N 1.130 119.932 118.700 0.170 0.000 2.628 283 N HA 0.098 4.838 4.740 0.000 0.000 0.299 283 N C 1.110 176.685 175.510 0.108 0.000 1.834 283 N CA 0.078 53.302 53.050 0.291 0.000 0.871 283 N CB 0.815 39.519 38.487 0.361 0.000 1.377 283 N HN 0.241 nan 8.380 nan 0.000 0.493 284 V N -1.410 118.548 119.914 0.074 0.000 2.568 284 V HA -0.084 4.036 4.120 0.000 0.000 0.253 284 V C 1.152 177.245 176.094 -0.003 0.000 1.072 284 V CA 2.207 64.522 62.300 0.025 0.000 1.084 284 V CB -0.740 31.099 31.823 0.026 0.000 0.676 284 V HN 0.459 nan 8.190 nan 0.000 0.469 285 S N -1.633 114.049 115.700 -0.029 0.000 2.754 285 S HA 0.265 4.735 4.470 0.000 0.000 0.247 285 S C 0.134 174.686 174.600 -0.081 0.000 1.031 285 S CA 0.154 58.320 58.200 -0.057 0.000 1.014 285 S CB -0.174 62.983 63.200 -0.072 0.000 0.918 285 S HN 0.550 nan 8.310 nan 0.000 0.519 286 D N 1.832 122.198 120.400 -0.056 0.000 2.751 286 D HA -0.155 4.485 4.640 0.000 0.000 0.233 286 D C 0.433 176.653 176.300 -0.133 0.000 1.149 286 D CA 0.940 54.910 54.000 -0.050 0.000 0.682 286 D CB -1.414 39.365 40.800 -0.034 0.000 1.068 286 D HN 0.721 nan 8.370 nan 0.000 0.429 287 E N -1.231 118.785 120.200 -0.306 0.000 2.478 287 E HA 0.060 4.410 4.350 0.000 0.000 0.194 287 E C 0.391 176.628 176.600 -0.606 0.000 1.045 287 E CA 0.453 56.535 56.400 -0.529 0.000 0.868 287 E CB 0.352 29.572 29.700 -0.799 0.000 0.885 287 E HN 0.248 nan 8.360 nan 0.000 0.505 288 F N 0.145 120.074 119.950 -0.036 0.000 2.631 288 F HA 0.409 4.936 4.527 0.000 0.000 0.328 288 F C -0.052 175.687 175.800 -0.103 0.000 1.067 288 F CA -1.348 56.572 58.000 -0.132 0.000 0.969 288 F CB 1.282 40.076 39.000 -0.344 0.000 1.332 288 F HN -0.326 nan 8.300 nan 0.000 0.490 289 D N 0.541 120.985 120.400 0.074 0.000 2.498 289 D HA 0.471 5.112 4.640 0.000 0.000 0.247 289 D C -1.279 174.993 176.300 -0.047 0.000 1.070 289 D CA -0.106 53.946 54.000 0.087 0.000 0.842 289 D CB 2.065 42.925 40.800 0.101 0.000 1.361 289 D HN 0.129 nan 8.370 nan 0.000 0.484 290 F N 0.674 120.707 119.950 0.139 0.000 2.522 290 F HA 0.519 5.046 4.527 0.000 0.000 0.324 290 F C 0.850 176.733 175.800 0.138 0.000 1.077 290 F CA -0.426 57.635 58.000 0.102 0.000 0.944 290 F CB 1.966 40.916 39.000 -0.084 0.000 1.175 290 F HN 0.232 nan 8.300 nan 0.000 0.468 291 S N -0.675 115.247 115.700 0.370 0.000 2.656 291 S HA 0.516 4.986 4.470 0.000 0.000 0.273 291 S C -1.604 173.135 174.600 0.232 0.000 1.168 291 S CA -1.142 57.223 58.200 0.275 0.000 0.817 291 S CB 1.469 64.879 63.200 0.350 0.000 1.146 291 S HN 0.663 nan 8.310 nan 0.000 0.475 292 D N 0.832 121.323 120.400 0.153 0.000 3.038 292 D HA -0.051 4.589 4.640 0.000 0.000 0.229 292 D C -2.806 173.530 176.300 0.060 0.000 1.182 292 D CA 0.666 54.731 54.000 0.108 0.000 0.852 292 D CB -1.093 39.787 40.800 0.134 0.000 0.932 292 D HN 0.438 nan 8.370 nan 0.000 0.406 293 P HA 0.141 nan 4.420 nan 0.000 0.276 293 P C -0.429 176.788 177.300 -0.138 0.000 1.253 293 P CA -0.166 62.896 63.100 -0.062 0.000 0.766 293 P CB 0.766 32.416 31.700 -0.083 0.000 0.845 294 R N 5.729 126.097 120.500 -0.220 0.000 2.396 294 R HA 0.356 4.696 4.340 0.000 0.000 0.292 294 R C -2.491 173.653 176.300 -0.260 0.000 1.240 294 R CA -2.160 53.791 56.100 -0.248 0.000 1.270 294 R CB 0.775 30.814 30.300 -0.435 0.000 1.108 294 R HN 0.324 nan 8.270 nan 0.000 0.573 295 P HA 0.221 nan 4.420 nan 0.000 0.282 295 P C -0.697 176.655 177.300 0.086 0.000 1.249 295 P CA -0.195 62.823 63.100 -0.137 0.000 0.806 295 P CB 1.682 33.260 31.700 -0.204 0.000 0.984 296 I N 2.544 123.196 120.570 0.138 0.000 2.533 296 I HA 0.259 4.429 4.170 0.000 0.000 0.290 296 I C -0.643 175.604 176.117 0.217 0.000 1.056 296 I CA -1.086 60.343 61.300 0.216 0.000 1.057 296 I CB 2.112 40.255 38.000 0.238 0.000 1.240 296 I HN 0.318 nan 8.210 nan 0.000 0.423 297 Y N 5.824 126.198 120.300 0.124 0.000 2.326 297 Y HA 0.373 4.923 4.550 0.000 0.000 0.337 297 Y C -0.557 175.407 175.900 0.106 0.000 1.023 297 Y CA -0.519 57.639 58.100 0.098 0.000 1.143 297 Y CB 0.967 39.470 38.460 0.071 0.000 1.183 297 Y HN 0.432 nan 8.280 nan 0.000 0.485 298 D N 8.437 128.403 120.400 -0.725 0.000 2.441 298 D HA 0.318 4.958 4.640 0.000 0.000 0.231 298 D C -2.250 173.556 176.300 -0.824 0.000 1.073 298 D CA -2.499 51.172 54.000 -0.548 0.000 0.850 298 D CB 2.142 42.783 40.800 -0.264 0.000 1.062 298 D HN 0.344 nan 8.370 nan 0.000 0.524 299 P HA -0.101 nan 4.420 nan 0.000 0.223 299 P C 1.371 178.583 177.300 -0.146 0.000 1.151 299 P CA 0.768 63.699 63.100 -0.281 0.000 0.787 299 P CB 0.229 31.927 31.700 -0.002 0.000 0.788 300 S N -0.773 114.840 115.700 -0.146 0.000 2.423 300 S HA -0.101 4.369 4.470 0.000 0.000 0.231 300 S C 1.770 176.317 174.600 -0.088 0.000 1.014 300 S CA 1.595 59.739 58.200 -0.092 0.000 0.965 300 S CB -1.203 61.946 63.200 -0.084 0.000 0.785 300 S HN 0.262 nan 8.310 nan 0.000 0.495 301 S N 0.114 115.741 115.700 -0.122 0.000 2.632 301 S HA 0.274 4.744 4.470 0.000 0.000 0.237 301 S C 0.429 174.976 174.600 -0.089 0.000 1.037 301 S CA 0.128 58.273 58.200 -0.093 0.000 1.009 301 S CB -0.499 62.648 63.200 -0.088 0.000 0.974 301 S HN 0.469 nan 8.310 nan 0.000 0.544 302 N N 2.191 120.818 118.700 -0.122 0.000 2.727 302 N HA -0.146 4.594 4.740 0.000 0.000 0.251 302 N C -0.443 175.072 175.510 0.009 0.000 1.040 302 N CA 1.230 54.276 53.050 -0.008 0.000 0.712 302 N CB -1.614 36.908 38.487 0.058 0.000 0.912 302 N HN 0.887 nan 8.380 nan 0.000 0.545 303 T N -3.642 110.863 114.554 -0.081 0.000 2.901 303 T HA 0.745 5.095 4.350 0.000 0.000 0.293 303 T C -0.324 174.424 174.700 0.080 0.000 1.084 303 T CA -0.785 61.311 62.100 -0.008 0.000 1.008 303 T CB 2.186 71.029 68.868 -0.041 0.000 1.170 303 T HN -0.026 nan 8.240 nan 0.000 0.509 304 V N 2.431 122.449 119.914 0.173 0.000 2.448 304 V HA 0.532 4.652 4.120 0.000 0.000 0.295 304 V C -0.702 175.530 176.094 0.230 0.000 1.025 304 V CA -0.935 61.515 62.300 0.250 0.000 0.859 304 V CB 1.507 33.535 31.823 0.342 0.000 0.988 304 V HN 0.853 nan 8.190 nan 0.000 0.431 305 L N 6.835 128.182 121.223 0.206 0.000 2.294 305 L HA 0.646 4.986 4.340 0.000 0.000 0.283 305 L C -0.827 176.154 176.870 0.184 0.000 1.015 305 L CA -0.213 54.762 54.840 0.225 0.000 0.831 305 L CB 1.614 43.759 42.059 0.143 0.000 1.217 305 L HN 0.514 nan 8.230 nan 0.000 0.420 306 V N 5.503 125.557 119.914 0.234 0.000 2.398 306 V HA 0.558 4.678 4.120 0.000 0.000 0.286 306 V C 0.061 176.175 176.094 0.033 0.000 1.026 306 V CA -0.081 62.230 62.300 0.018 0.000 0.868 306 V CB 2.044 33.748 31.823 -0.199 0.000 0.982 306 V HN 0.978 nan 8.190 nan 0.000 0.443 307 S N 6.471 122.058 115.700 -0.189 0.000 2.549 307 S HA 0.874 5.344 4.470 0.000 0.000 0.297 307 S C -1.257 173.190 174.600 -0.256 0.000 1.115 307 S CA -0.354 57.623 58.200 -0.372 0.000 1.059 307 S CB 1.450 64.286 63.200 -0.607 0.000 1.046 307 S HN 0.848 nan 8.310 nan 0.000 0.506 308 Y N -1.414 118.819 120.300 -0.111 0.000 2.656 308 Y HA 0.803 5.353 4.550 0.000 0.000 0.334 308 Y C -0.613 175.291 175.900 0.007 0.000 1.179 308 Y CA -1.691 56.376 58.100 -0.055 0.000 1.050 308 Y CB 0.470 38.917 38.460 -0.021 0.000 1.308 308 Y HN 0.665 nan 8.280 nan 0.000 0.456 309 A N 2.138 125.052 122.820 0.157 0.000 2.304 309 A HA 0.795 5.115 4.320 0.000 0.000 0.301 309 A C -0.562 176.900 177.584 -0.203 0.000 1.132 309 A CA -0.892 51.070 52.037 -0.125 0.000 0.819 309 A CB 1.092 19.914 19.000 -0.297 0.000 1.094 309 A HN 0.838 nan 8.150 nan 0.000 0.492 310 R N 0.656 120.821 120.500 -0.557 0.000 2.664 310 R HA 0.612 4.952 4.340 0.000 0.000 0.286 310 R C -1.961 173.768 176.300 -0.951 0.000 0.967 310 R CA -0.451 55.127 56.100 -0.871 0.000 0.933 310 R CB 1.124 30.950 30.300 -0.789 0.000 1.146 310 R HN 0.764 nan 8.270 nan 0.000 0.468 311 W N 3.453 124.513 121.300 -0.399 0.000 3.107 311 W HA 0.394 5.054 4.660 0.000 0.000 0.331 311 W C -2.290 174.209 176.519 -0.034 0.000 1.204 311 W CA -2.009 55.232 57.345 -0.174 0.000 1.184 311 W CB 1.261 30.645 29.460 -0.127 0.000 1.421 311 W HN 0.432 nan 8.180 nan 0.000 0.544 312 P HA -0.020 nan 4.420 nan 0.000 0.271 312 P C 0.706 178.096 177.300 0.150 0.000 1.218 312 P CA 0.348 63.592 63.100 0.240 0.000 0.780 312 P CB 1.426 33.208 31.700 0.138 0.000 0.901 313 T N 0.402 114.996 114.554 0.067 0.000 2.977 313 T HA -0.130 4.220 4.350 0.000 0.000 0.271 313 T C 0.895 175.593 174.700 -0.003 0.000 1.105 313 T CA 1.773 63.888 62.100 0.024 0.000 1.116 313 T CB -0.730 68.126 68.868 -0.021 0.000 0.878 313 T HN 0.549 nan 8.240 nan 0.000 0.509 314 D N -0.181 120.218 120.400 -0.001 0.000 2.402 314 D HA 0.425 5.065 4.640 0.000 0.000 0.216 314 D C 0.025 176.310 176.300 -0.024 0.000 1.128 314 D CA -0.170 53.819 54.000 -0.017 0.000 0.833 314 D CB 0.062 40.854 40.800 -0.013 0.000 0.971 314 D HN 0.380 nan 8.370 nan 0.000 0.503 315 A N -0.531 122.276 122.820 -0.021 0.000 2.532 315 A HA 0.710 5.030 4.320 0.000 0.000 0.296 315 A C -1.116 176.431 177.584 -0.061 0.000 1.058 315 A CA -0.181 51.829 52.037 -0.046 0.000 0.729 315 A CB 1.337 20.320 19.000 -0.029 0.000 1.285 315 A HN 0.405 nan 8.150 nan 0.000 0.396 316 A N 0.865 123.561 122.820 -0.207 0.000 3.613 316 A HA 0.719 5.039 4.320 0.000 0.000 0.276 316 A C 0.851 178.158 177.584 -0.462 0.000 1.115 316 A CA 0.443 52.169 52.037 -0.518 0.000 0.652 316 A CB -0.194 18.164 19.000 -1.070 0.000 1.498 316 A HN 0.831 nan 8.150 nan 0.000 0.710 317 Q N -0.032 119.309 119.800 -0.764 0.000 2.084 317 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 317 Q C -0.224 175.679 176.000 -0.161 0.000 0.978 317 Q CA 1.135 56.750 55.803 -0.313 0.000 0.844 317 Q CB -0.225 28.352 28.738 -0.267 0.000 0.898 317 Q HN 0.659 nan 8.270 nan 0.000 0.426 318 N N 0.036 118.622 118.700 -0.189 0.000 2.412 318 N HA 0.006 4.746 4.740 0.000 0.000 0.258 318 N C 0.483 175.961 175.510 -0.054 0.000 1.236 318 N CA 1.347 54.351 53.050 -0.076 0.000 0.882 318 N CB 0.493 38.926 38.487 -0.091 0.000 1.066 318 N HN 0.476 nan 8.380 nan 0.000 0.465 319 G N 1.969 110.766 108.800 -0.005 0.000 2.166 319 G HA2 -0.331 3.630 3.960 0.000 0.000 0.260 319 G HA3 -0.331 3.630 3.960 0.000 0.000 0.260 319 G C -0.101 174.783 174.900 -0.028 0.000 0.986 319 G CA 0.376 45.465 45.100 -0.019 0.000 0.683 319 G HN 0.764 nan 8.290 nan 0.000 0.527 320 D N -1.826 118.552 120.400 -0.038 0.000 2.811 320 D HA -0.201 4.439 4.640 0.000 0.000 0.231 320 D C 1.589 177.848 176.300 -0.068 0.000 1.157 320 D CA 1.377 55.347 54.000 -0.050 0.000 0.716 320 D CB -0.973 39.816 40.800 -0.017 0.000 1.077 320 D HN 0.735 nan 8.370 nan 0.000 0.428 321 R N -0.358 120.098 120.500 -0.072 0.000 2.148 321 R HA 0.018 4.359 4.340 0.000 0.000 0.223 321 R C 1.372 177.605 176.300 -0.112 0.000 1.088 321 R CA 0.052 56.107 56.100 -0.075 0.000 0.985 321 R CB 0.105 30.366 30.300 -0.065 0.000 0.880 321 R HN 0.250 nan 8.270 nan 0.000 0.451 322 I N 1.793 122.301 120.570 -0.103 0.000 2.692 322 I HA -0.045 4.125 4.170 0.000 0.000 0.284 322 I C -0.226 175.731 176.117 -0.266 0.000 1.159 322 I CA 0.549 61.783 61.300 -0.110 0.000 1.423 322 I CB 0.455 38.506 38.000 0.085 0.000 1.380 322 I HN -0.135 nan 8.210 nan 0.000 0.580 323 K N 7.464 127.570 120.400 -0.491 0.000 2.395 323 K HA 0.436 4.756 4.320 0.000 0.000 0.247 323 K C -2.165 173.980 176.600 -0.757 0.000 0.973 323 K CA -1.714 54.062 56.287 -0.851 0.000 0.828 323 K CB 1.044 32.470 32.500 -1.788 0.000 1.272 323 K HN 0.180 nan 8.250 nan 0.000 0.439 324 P HA -0.128 nan 4.420 nan 0.000 0.220 324 P C 0.616 177.815 177.300 -0.168 0.000 1.144 324 P CA 1.249 64.195 63.100 -0.258 0.000 0.800 324 P CB -0.031 31.615 31.700 -0.091 0.000 0.772 325 W N -2.594 118.641 121.300 -0.108 0.000 3.256 325 W HA 0.364 5.024 4.660 0.000 0.000 0.269 325 W C 0.364 176.839 176.519 -0.073 0.000 1.310 325 W CA -0.335 56.938 57.345 -0.120 0.000 1.673 325 W CB -1.259 28.121 29.460 -0.133 0.000 1.115 325 W HN -0.221 nan 8.180 nan 0.000 0.686 326 M N 1.778 121.224 119.600 -0.256 0.000 2.359 326 M HA 0.255 4.735 4.480 0.000 0.000 0.322 326 M C -1.518 174.745 176.300 -0.062 0.000 1.166 326 M CA -1.919 53.306 55.300 -0.125 0.000 1.067 326 M CB 1.034 33.507 32.600 -0.212 0.000 1.523 326 M HN -0.401 nan 8.290 nan 0.000 0.467 327 P HA -0.038 nan 4.420 nan 0.000 0.288 327 P C -0.809 176.416 177.300 -0.125 0.000 1.448 327 P CA 0.348 63.451 63.100 0.005 0.000 0.764 327 P CB -0.716 31.102 31.700 0.196 0.000 1.472 328 N N 0.629 119.229 118.700 -0.166 0.000 2.508 328 N HA 0.394 5.134 4.740 0.000 0.000 0.264 328 N C 0.396 175.708 175.510 -0.329 0.000 1.216 328 N CA 0.395 53.234 53.050 -0.351 0.000 0.943 328 N CB 0.423 38.687 38.487 -0.372 0.000 1.113 328 N HN 0.089 nan 8.380 nan 0.000 0.447 329 G N 1.097 109.656 108.800 -0.401 0.000 2.489 329 G HA2 0.453 4.413 3.960 0.000 0.000 0.305 329 G HA3 0.453 4.413 3.960 0.000 0.000 0.305 329 G C -1.634 173.120 174.900 -0.243 0.000 1.311 329 G CA -0.711 44.224 45.100 -0.275 0.000 0.813 329 G HN 0.545 nan 8.290 nan 0.000 0.480 330 I N 0.010 120.434 120.570 -0.243 0.000 2.582 330 I HA 0.602 4.772 4.170 0.000 0.000 0.292 330 I C -1.214 174.701 176.117 -0.336 0.000 1.066 330 I CA -0.555 60.622 61.300 -0.206 0.000 1.053 330 I CB 2.147 40.005 38.000 -0.235 0.000 1.241 330 I HN 0.298 nan 8.210 nan 0.000 0.421 331 F N 4.819 124.488 119.950 -0.468 0.000 2.611 331 F HA 0.621 5.148 4.527 0.000 0.000 0.324 331 F C -0.493 174.811 175.800 -0.827 0.000 1.061 331 F CA -0.775 56.887 58.000 -0.562 0.000 0.954 331 F CB 1.784 40.513 39.000 -0.452 0.000 1.301 331 F HN 0.320 nan 8.300 nan 0.000 0.482 332 Y N -1.690 118.387 120.300 -0.372 0.000 2.562 332 Y HA 0.842 5.392 4.550 0.000 0.000 0.345 332 Y C -1.287 174.650 175.900 0.062 0.000 1.045 332 Y CA -1.534 56.395 58.100 -0.286 0.000 1.028 332 Y CB 1.561 39.937 38.460 -0.140 0.000 1.297 332 Y HN 0.388 nan 8.280 nan 0.000 0.463 333 S N 1.379 117.374 115.700 0.491 0.000 2.542 333 S HA 0.750 5.220 4.470 0.000 0.000 0.293 333 S C -1.360 173.683 174.600 0.739 0.000 1.089 333 S CA -0.799 57.734 58.200 0.554 0.000 0.961 333 S CB 1.949 65.442 63.200 0.488 0.000 1.062 333 S HN 0.601 nan 8.310 nan 0.000 0.483 334 V N 3.121 123.427 119.914 0.654 0.000 2.513 334 V HA 0.447 4.567 4.120 0.000 0.000 0.299 334 V C -1.265 174.990 176.094 0.267 0.000 1.035 334 V CA -0.676 61.895 62.300 0.452 0.000 0.889 334 V CB 1.320 33.336 31.823 0.321 0.000 0.988 334 V HN 0.856 nan 8.190 nan 0.000 0.440 335 Y N 3.324 123.456 120.300 -0.280 0.000 2.335 335 Y HA 0.538 5.088 4.550 0.000 0.000 0.338 335 Y C -0.242 175.455 175.900 -0.339 0.000 0.977 335 Y CA -1.373 56.268 58.100 -0.765 0.000 1.114 335 Y CB 1.486 39.064 38.460 -1.470 0.000 1.182 335 Y HN 0.749 nan 8.280 nan 0.000 0.463 336 D N 5.153 125.102 120.400 -0.753 0.000 2.380 336 D HA 0.150 4.790 4.640 0.000 0.000 0.230 336 D C 0.572 176.359 176.300 -0.853 0.000 1.154 336 D CA 0.058 53.727 54.000 -0.552 0.000 0.859 336 D CB 1.168 41.769 40.800 -0.331 0.000 1.045 336 D HN 0.456 nan 8.370 nan 0.000 0.495 337 V N 4.402 123.991 119.914 -0.543 0.000 2.287 337 V HA -0.249 3.871 4.120 0.000 0.000 0.248 337 V C 2.456 178.404 176.094 -0.242 0.000 1.053 337 V CA 2.162 64.251 62.300 -0.352 0.000 1.027 337 V CB -0.917 30.897 31.823 -0.014 0.000 0.646 337 V HN 0.711 nan 8.190 nan 0.000 0.447 338 A N -0.542 122.172 122.820 -0.177 0.000 1.865 338 A HA -0.226 4.094 4.320 0.000 0.000 0.217 338 A C 2.393 179.900 177.584 -0.128 0.000 1.191 338 A CA 2.550 54.516 52.037 -0.117 0.000 0.623 338 A CB -0.669 18.279 19.000 -0.087 0.000 0.826 338 A HN 0.506 nan 8.150 nan 0.000 0.444 339 S N -1.968 113.631 115.700 -0.168 0.000 2.548 339 S HA 0.364 4.834 4.470 0.000 0.000 0.215 339 S C 1.244 175.752 174.600 -0.152 0.000 0.976 339 S CA 0.756 58.877 58.200 -0.131 0.000 0.908 339 S CB 0.140 63.277 63.200 -0.105 0.000 0.781 339 S HN 1.700 nan 8.310 nan 0.000 0.519 340 G N 2.766 111.389 108.800 -0.294 0.000 2.221 340 G HA2 -0.212 3.748 3.960 0.000 0.000 0.265 340 G HA3 -0.212 3.748 3.960 0.000 0.000 0.265 340 G C -0.458 174.355 174.900 -0.145 0.000 1.041 340 G CA -0.262 44.684 45.100 -0.256 0.000 0.807 340 G HN 0.440 nan 8.290 nan 0.000 0.502 341 N N -0.714 117.800 118.700 -0.310 0.000 2.321 341 N HA 0.572 5.312 4.740 0.000 0.000 0.299 341 N C -0.337 175.150 175.510 -0.039 0.000 1.048 341 N CA -0.431 52.585 53.050 -0.056 0.000 0.836 341 N CB 1.149 39.622 38.487 -0.023 0.000 1.269 341 N HN 0.308 nan 8.380 nan 0.000 0.486 342 W N 0.752 122.184 121.300 0.221 0.000 2.359 342 W HA 0.351 5.011 4.660 0.000 0.000 0.344 342 W C 0.534 177.144 176.519 0.151 0.000 1.170 342 W CA -0.404 57.099 57.345 0.263 0.000 1.296 342 W CB 0.957 30.566 29.460 0.248 0.000 1.197 342 W HN 0.182 nan 8.180 nan 0.000 0.618 343 Q N 1.321 121.411 119.800 0.484 0.000 2.351 343 Q HA 0.665 5.005 4.340 0.000 0.000 0.273 343 Q C -0.311 175.853 176.000 0.273 0.000 1.077 343 Q CA -1.109 54.871 55.803 0.295 0.000 0.843 343 Q CB 1.892 30.771 28.738 0.235 0.000 1.367 343 Q HN 0.541 nan 8.270 nan 0.000 0.449 344 A N 1.966 124.885 122.820 0.164 0.000 2.466 344 A HA 0.344 4.664 4.320 0.000 0.000 0.238 344 A C -2.179 175.457 177.584 0.086 0.000 1.074 344 A CA -0.850 51.250 52.037 0.105 0.000 0.774 344 A CB -0.574 18.467 19.000 0.067 0.000 1.015 344 A HN 0.401 nan 8.150 nan 0.000 0.498 345 P HA 0.252 nan 4.420 nan 0.000 0.266 345 P C -0.838 176.463 177.300 0.002 0.000 1.195 345 P CA 0.507 63.649 63.100 0.071 0.000 0.768 345 P CB 0.337 32.089 31.700 0.087 0.000 0.838 346 I N 1.936 122.373 120.570 -0.222 0.000 2.465 346 I HA 0.250 4.420 4.170 0.000 0.000 0.291 346 I C -0.006 175.839 176.117 -0.454 0.000 1.014 346 I CA -0.835 60.229 61.300 -0.393 0.000 1.093 346 I CB 1.948 39.456 38.000 -0.820 0.000 1.267 346 I HN 0.209 nan 8.210 nan 0.000 0.431 347 D N 5.399 125.517 120.400 -0.470 0.000 2.277 347 D HA 0.251 4.892 4.640 0.000 0.000 0.249 347 D C 0.414 176.402 176.300 -0.520 0.000 1.134 347 D CA -0.113 53.312 54.000 -0.958 0.000 0.863 347 D CB 1.725 42.024 40.800 -0.835 0.000 1.143 347 D HN 0.346 nan 8.370 nan 0.000 0.458 348 V N 0.918 120.535 119.914 -0.495 0.000 3.159 348 V HA 0.152 4.272 4.120 0.000 0.000 0.333 348 V C 1.566 177.524 176.094 -0.226 0.000 1.424 348 V CA -0.156 62.014 62.300 -0.215 0.000 1.125 348 V CB -0.066 31.698 31.823 -0.098 0.000 1.075 348 V HN 0.424 nan 8.190 nan 0.000 0.482 349 T N 1.267 115.620 114.554 -0.334 0.000 2.653 349 T HA -0.218 4.132 4.350 0.000 0.000 0.268 349 T C 1.443 176.068 174.700 -0.125 0.000 1.035 349 T CA 2.598 64.552 62.100 -0.244 0.000 1.154 349 T CB -0.398 68.306 68.868 -0.274 0.000 0.862 349 T HN 0.578 nan 8.240 nan 0.000 0.441 350 D N 1.065 121.410 120.400 -0.093 0.000 2.265 350 D HA -0.070 4.570 4.640 0.000 0.000 0.208 350 D C 2.230 178.538 176.300 0.012 0.000 0.977 350 D CA 0.915 54.906 54.000 -0.014 0.000 0.871 350 D CB -0.209 40.594 40.800 0.004 0.000 0.925 350 D HN 0.565 nan 8.370 nan 0.000 0.485 351 Q N -0.343 119.455 119.800 -0.003 0.000 2.302 351 Q HA 0.012 4.352 4.340 0.000 0.000 0.202 351 Q C 2.053 178.070 176.000 0.028 0.000 0.936 351 Q CA 0.648 56.468 55.803 0.028 0.000 0.886 351 Q CB 0.649 29.430 28.738 0.071 0.000 0.986 351 Q HN 0.317 nan 8.270 nan 0.000 0.487 352 V N -2.944 116.966 119.914 -0.006 0.000 3.556 352 V HA 0.269 4.389 4.120 0.000 0.000 0.287 352 V C 0.385 176.475 176.094 -0.007 0.000 1.422 352 V CA -0.195 62.099 62.300 -0.011 0.000 1.038 352 V CB 0.279 32.068 31.823 -0.057 0.000 0.850 352 V HN -0.034 nan 8.190 nan 0.000 0.437 353 K N 2.417 122.808 120.400 -0.015 0.000 2.347 353 K HA 0.323 4.643 4.320 0.000 0.000 0.262 353 K C -0.007 176.619 176.600 0.043 0.000 1.052 353 K CA -0.317 55.962 56.287 -0.013 0.000 0.946 353 K CB 0.835 33.293 32.500 -0.070 0.000 1.220 353 K HN 0.584 nan 8.250 nan 0.000 0.450 354 E N 3.236 123.490 120.200 0.091 0.000 2.392 354 E HA 0.034 4.384 4.350 0.000 0.000 0.264 354 E C -0.886 175.785 176.600 0.119 0.000 1.024 354 E CA -0.201 56.300 56.400 0.168 0.000 0.903 354 E CB 0.641 30.495 29.700 0.257 0.000 0.963 354 E HN 0.299 nan 8.360 nan 0.000 0.432 355 R N 2.055 122.643 120.500 0.147 0.000 2.435 355 R HA 0.358 4.698 4.340 0.000 0.000 0.308 355 R C -1.261 175.125 176.300 0.143 0.000 0.975 355 R CA -0.325 55.805 56.100 0.050 0.000 0.867 355 R CB 1.729 31.906 30.300 -0.204 0.000 1.171 355 R HN 0.588 nan 8.270 nan 0.000 0.470 356 S N 0.988 116.775 115.700 0.145 0.000 2.636 356 S HA 0.520 4.990 4.470 0.000 0.000 0.266 356 S C -1.538 173.163 174.600 0.169 0.000 1.147 356 S CA -0.953 57.359 58.200 0.186 0.000 0.815 356 S CB 0.922 64.313 63.200 0.318 0.000 1.119 356 S HN 0.284 nan 8.310 nan 0.000 0.470 357 F N 1.961 121.899 119.950 -0.021 0.000 2.410 357 F HA 0.585 5.112 4.527 0.000 0.000 0.349 357 F C -0.151 175.547 175.800 -0.170 0.000 1.117 357 F CA -0.393 57.470 58.000 -0.228 0.000 1.104 357 F CB 1.247 40.131 39.000 -0.194 0.000 1.122 357 F HN 0.676 nan 8.300 nan 0.000 0.483 358 Q N 6.954 126.212 119.800 -0.904 0.000 2.333 358 Q HA 0.588 4.929 4.340 0.000 0.000 0.267 358 Q C -1.184 174.363 176.000 -0.756 0.000 1.012 358 Q CA -0.715 54.620 55.803 -0.780 0.000 0.824 358 Q CB 2.871 31.064 28.738 -0.907 0.000 1.290 358 Q HN 0.629 nan 8.270 nan 0.000 0.449 359 I N 1.673 122.012 120.570 -0.386 0.000 2.410 359 I HA 0.463 4.633 4.170 0.000 0.000 0.286 359 I C -0.610 175.341 176.117 -0.276 0.000 1.009 359 I CA -0.775 60.350 61.300 -0.293 0.000 1.111 359 I CB 1.730 39.671 38.000 -0.098 0.000 1.262 359 I HN 0.617 nan 8.210 nan 0.000 0.443 360 A N 4.730 127.314 122.820 -0.393 0.000 2.412 360 A HA 0.602 4.922 4.320 0.000 0.000 0.334 360 A C 0.672 177.980 177.584 -0.461 0.000 1.419 360 A CA -0.455 51.148 52.037 -0.725 0.000 0.930 360 A CB 0.145 18.509 19.000 -1.060 0.000 1.149 360 A HN 0.884 nan 8.150 nan 0.000 0.515 361 G N 2.298 110.917 108.800 -0.302 0.000 3.636 361 G HA2 0.374 4.334 3.960 0.000 0.000 0.260 361 G HA3 0.374 4.334 3.960 0.000 0.000 0.260 361 G C -0.523 174.470 174.900 0.155 0.000 1.014 361 G CA -0.275 44.795 45.100 -0.050 0.000 1.797 361 G HN 0.632 nan 8.290 nan 0.000 0.637 362 W N 0.448 121.760 121.300 0.020 0.000 2.295 362 W HA 0.523 5.183 4.660 0.000 0.000 0.333 362 W C 0.911 177.604 176.519 0.290 0.000 0.990 362 W CA -0.864 56.474 57.345 -0.012 0.000 1.453 362 W CB 0.613 29.774 29.460 -0.498 0.000 1.263 362 W HN 0.598 nan 8.180 nan 0.000 0.380 363 G N 1.328 110.443 108.800 0.525 0.000 2.144 363 G HA2 0.114 4.074 3.960 0.000 0.000 0.218 363 G HA3 0.114 4.074 3.960 0.000 0.000 0.218 363 G C 0.209 175.169 174.900 0.101 0.000 0.988 363 G CA -0.191 45.159 45.100 0.416 0.000 0.659 363 G HN 1.019 nan 8.290 nan 0.000 0.522 364 G N -1.403 107.454 108.800 0.094 0.000 2.428 364 G HA2 0.830 4.790 3.960 0.000 0.000 0.304 364 G HA3 0.830 4.790 3.960 0.000 0.000 0.304 364 G C -0.577 174.327 174.900 0.007 0.000 1.303 364 G CA 0.658 45.755 45.100 -0.005 0.000 0.825 364 G HN 1.842 nan 8.290 nan 0.000 0.484 365 S N -1.309 114.371 115.700 -0.034 0.000 2.542 365 S HA 0.811 5.281 4.470 0.000 0.000 0.293 365 S C -0.942 173.605 174.600 -0.088 0.000 1.089 365 S CA -0.548 57.628 58.200 -0.041 0.000 0.961 365 S CB 2.537 65.716 63.200 -0.034 0.000 1.062 365 S HN 0.943 nan 8.310 nan 0.000 0.483 366 E N 2.172 122.308 120.200 -0.106 0.000 2.317 366 E HA 0.531 4.881 4.350 0.000 0.000 0.270 366 E C -1.804 174.650 176.600 -0.245 0.000 0.899 366 E CA -0.524 55.764 56.400 -0.186 0.000 0.814 366 E CB 0.934 30.552 29.700 -0.137 0.000 1.296 366 E HN 0.758 nan 8.360 nan 0.000 0.404 367 L N 3.639 124.641 121.223 -0.369 0.000 2.341 367 L HA 0.592 4.932 4.340 0.000 0.000 0.267 367 L C -1.225 175.235 176.870 -0.684 0.000 1.009 367 L CA -1.086 53.523 54.840 -0.384 0.000 0.819 367 L CB 1.635 43.576 42.059 -0.196 0.000 1.323 367 L HN 0.550 nan 8.230 nan 0.000 0.425 368 Y N 1.199 121.252 120.300 -0.412 0.000 2.361 368 Y HA 0.561 5.111 4.550 0.000 0.000 0.337 368 Y C -0.284 175.683 175.900 0.111 0.000 0.965 368 Y CA -0.577 57.360 58.100 -0.272 0.000 1.091 368 Y CB 1.932 39.936 38.460 -0.759 0.000 1.182 368 Y HN 0.400 nan 8.280 nan 0.000 0.450 369 R N 3.309 124.015 120.500 0.343 0.000 2.561 369 R HA 0.637 4.977 4.340 0.000 0.000 0.297 369 R C -1.380 174.959 176.300 0.066 0.000 0.969 369 R CA -0.956 55.286 56.100 0.236 0.000 0.879 369 R CB 1.435 31.775 30.300 0.067 0.000 1.178 369 R HN 0.826 nan 8.270 nan 0.000 0.445 370 R N 3.594 123.949 120.500 -0.241 0.000 2.388 370 R HA 0.300 4.640 4.340 0.000 0.000 0.314 370 R C -0.948 175.163 176.300 -0.316 0.000 0.959 370 R CA -0.712 55.072 56.100 -0.527 0.000 0.851 370 R CB 0.859 30.396 30.300 -1.272 0.000 1.168 370 R HN 0.649 nan 8.270 nan 0.000 0.472 371 N N 2.181 120.752 118.700 -0.214 0.000 2.492 371 N HA 0.057 4.797 4.740 0.000 0.000 0.260 371 N C -0.154 175.252 175.510 -0.173 0.000 1.215 371 N CA 0.508 53.465 53.050 -0.156 0.000 0.923 371 N CB 1.426 39.847 38.487 -0.109 0.000 1.092 371 N HN 0.668 nan 8.380 nan 0.000 0.448 372 T N -2.672 111.790 114.554 -0.153 0.000 2.773 372 T HA 0.527 4.877 4.350 0.000 0.000 0.278 372 T C 0.072 174.704 174.700 -0.112 0.000 1.011 372 T CA -0.807 61.205 62.100 -0.147 0.000 1.014 372 T CB 1.083 69.841 68.868 -0.182 0.000 1.293 372 T HN 0.154 nan 8.240 nan 0.000 0.554 373 S N 0.459 116.103 115.700 -0.095 0.000 2.558 373 S HA 0.364 4.834 4.470 0.000 0.000 0.238 373 S C 0.088 174.651 174.600 -0.061 0.000 1.183 373 S CA -0.595 57.566 58.200 -0.065 0.000 1.185 373 S CB -0.638 62.539 63.200 -0.038 0.000 1.003 373 S HN 0.506 nan 8.310 nan 0.000 0.478 374 L N 2.279 123.435 121.223 -0.111 0.000 2.483 374 L HA 0.214 4.554 4.340 0.000 0.000 0.276 374 L C 0.712 177.564 176.870 -0.031 0.000 1.213 374 L CA -0.132 54.638 54.840 -0.116 0.000 0.843 374 L CB 0.306 42.174 42.059 -0.319 0.000 1.107 374 L HN 0.270 nan 8.230 nan 0.000 0.487 375 N N 0.663 119.394 118.700 0.052 0.000 2.469 375 N HA 0.059 4.799 4.740 0.000 0.000 0.253 375 N C 0.680 176.299 175.510 0.182 0.000 0.970 375 N CA -0.170 52.937 53.050 0.096 0.000 0.940 375 N CB 1.537 40.084 38.487 0.101 0.000 1.128 375 N HN 0.613 nan 8.380 nan 0.000 0.503 376 S N 2.779 118.573 115.700 0.156 0.000 2.507 376 S HA -0.107 4.363 4.470 0.000 0.000 0.235 376 S C 1.005 175.807 174.600 0.336 0.000 0.988 376 S CA 0.758 59.093 58.200 0.225 0.000 0.944 376 S CB -0.109 63.179 63.200 0.147 0.000 0.762 376 S HN 0.684 nan 8.310 nan 0.000 0.526 377 Q N 1.101 121.044 119.800 0.238 0.000 2.403 377 Q HA 0.133 4.473 4.340 0.000 0.000 0.203 377 Q C 0.469 176.575 176.000 0.177 0.000 0.932 377 Q CA 0.179 56.102 55.803 0.199 0.000 0.945 377 Q CB 0.025 28.841 28.738 0.131 0.000 1.045 377 Q HN 0.876 nan 8.270 nan 0.000 0.511 378 Q N -0.513 119.435 119.800 0.246 0.000 2.456 378 Q HA 0.377 4.718 4.340 0.000 0.000 0.284 378 Q C -1.448 174.720 176.000 0.280 0.000 1.061 378 Q CA -1.018 54.898 55.803 0.189 0.000 0.799 378 Q CB 1.165 29.990 28.738 0.145 0.000 1.445 378 Q HN -0.192 nan 8.270 nan 0.000 0.411 379 D N 1.837 122.306 120.400 0.115 0.000 2.400 379 D HA 0.205 4.845 4.640 0.000 0.000 0.238 379 D C -0.620 175.827 176.300 0.244 0.000 1.157 379 D CA 0.592 54.623 54.000 0.052 0.000 0.889 379 D CB 0.467 41.228 40.800 -0.065 0.000 1.199 379 D HN 0.514 nan 8.370 nan 0.000 0.436 380 W N -0.376 121.043 121.300 0.199 0.000 3.074 380 W HA 0.555 5.215 4.660 0.000 0.000 0.332 380 W C -1.543 175.034 176.519 0.095 0.000 1.253 380 W CA -0.937 56.481 57.345 0.120 0.000 1.180 380 W CB 0.797 30.312 29.460 0.092 0.000 1.445 380 W HN 0.099 nan 8.180 nan 0.000 0.573 381 Q N 1.788 121.903 119.800 0.525 0.000 2.379 381 Q HA 0.532 4.872 4.340 0.000 0.000 0.278 381 Q C -0.778 175.465 176.000 0.405 0.000 1.068 381 Q CA -0.702 55.324 55.803 0.372 0.000 0.816 381 Q CB 2.547 31.374 28.738 0.148 0.000 1.387 381 Q HN 0.518 nan 8.270 nan 0.000 0.413 382 S N 0.777 116.710 115.700 0.387 0.000 2.548 382 S HA 0.856 5.326 4.470 0.000 0.000 0.286 382 S C -0.999 173.748 174.600 0.244 0.000 1.098 382 S CA -0.809 57.569 58.200 0.296 0.000 0.930 382 S CB 1.303 64.701 63.200 0.330 0.000 1.070 382 S HN 0.518 nan 8.310 nan 0.000 0.480 383 N N 0.151 118.967 118.700 0.193 0.000 2.249 383 N HA 0.778 5.518 4.740 0.000 0.000 0.296 383 N C -1.539 174.079 175.510 0.179 0.000 1.051 383 N CA -0.524 52.632 53.050 0.176 0.000 0.815 383 N CB 2.188 40.740 38.487 0.109 0.000 1.487 383 N HN 1.017 nan 8.380 nan 0.000 0.475 384 A N 1.443 124.397 122.820 0.224 0.000 2.414 384 A HA 0.440 4.760 4.320 0.000 0.000 0.286 384 A C -0.914 176.843 177.584 0.288 0.000 1.073 384 A CA -0.678 51.487 52.037 0.213 0.000 0.727 384 A CB 0.693 19.823 19.000 0.218 0.000 1.215 384 A HN 0.554 nan 8.150 nan 0.000 0.430 385 K N 3.423 123.942 120.400 0.198 0.000 2.263 385 K HA 0.649 4.969 4.320 0.000 0.000 0.282 385 K C -1.107 175.730 176.600 0.396 0.000 1.089 385 K CA -0.006 56.427 56.287 0.243 0.000 0.907 385 K CB 0.184 32.709 32.500 0.040 0.000 1.148 385 K HN 0.675 nan 8.250 nan 0.000 0.470 386 I N 3.251 124.161 120.570 0.566 0.000 2.730 386 I HA 0.445 4.615 4.170 0.000 0.000 0.298 386 I C -0.572 175.774 176.117 0.382 0.000 1.089 386 I CA -1.163 60.436 61.300 0.499 0.000 1.041 386 I CB 2.327 40.499 38.000 0.288 0.000 1.235 386 I HN 0.508 nan 8.210 nan 0.000 0.423 387 R N 5.179 125.679 120.500 -0.001 0.000 2.561 387 R HA 0.578 4.918 4.340 0.000 0.000 0.297 387 R C -1.568 174.632 176.300 -0.166 0.000 0.969 387 R CA -0.661 55.222 56.100 -0.362 0.000 0.879 387 R CB 1.440 30.951 30.300 -1.315 0.000 1.178 387 R HN 0.450 nan 8.270 nan 0.000 0.445 388 I N 5.985 126.519 120.570 -0.061 0.000 2.312 388 I HA 0.112 4.282 4.170 0.000 0.000 0.290 388 I C 1.179 177.320 176.117 0.040 0.000 1.008 388 I CA -0.227 61.068 61.300 -0.009 0.000 1.226 388 I CB 1.468 39.488 38.000 0.032 0.000 1.371 388 I HN 0.595 nan 8.210 nan 0.000 0.468 389 V N 5.349 125.230 119.914 -0.055 0.000 2.407 389 V HA -0.088 4.032 4.120 0.000 0.000 0.245 389 V C 0.397 176.564 176.094 0.121 0.000 1.041 389 V CA 1.544 63.819 62.300 -0.041 0.000 1.040 389 V CB -0.530 31.176 31.823 -0.196 0.000 0.671 389 V HN 0.961 nan 8.190 nan 0.000 0.455 390 D N -3.938 116.559 120.400 0.162 0.000 2.764 390 D HA 0.460 5.100 4.640 0.000 0.000 0.293 390 D C 0.068 176.481 176.300 0.187 0.000 1.287 390 D CA 0.264 54.378 54.000 0.190 0.000 0.768 390 D CB 0.764 41.666 40.800 0.170 0.000 1.288 390 D HN 0.561 nan 8.370 nan 0.000 0.426 391 G N -0.627 108.264 108.800 0.152 0.000 2.562 391 G HA2 0.415 4.375 3.960 0.000 0.000 0.250 391 G HA3 0.415 4.375 3.960 0.000 0.000 0.250 391 G C 0.040 175.003 174.900 0.105 0.000 1.269 391 G CA 1.198 46.380 45.100 0.138 0.000 0.919 391 G HN 1.729 nan 8.290 nan 0.000 0.574 392 A N -2.672 120.210 122.820 0.103 0.000 2.583 392 A HA 1.051 5.371 4.320 0.000 0.000 0.299 392 A C 1.418 179.047 177.584 0.075 0.000 1.258 392 A CA 1.337 53.419 52.037 0.074 0.000 0.682 392 A CB 0.230 19.265 19.000 0.059 0.000 1.332 392 A HN 3.015 nan 8.150 nan 0.000 0.485 393 A N -0.754 122.101 122.820 0.058 0.000 2.847 393 A HA -0.190 4.130 4.320 0.000 0.000 0.263 393 A C -0.061 177.557 177.584 0.058 0.000 1.391 393 A CA 1.445 53.516 52.037 0.055 0.000 0.866 393 A CB -2.683 16.353 19.000 0.060 0.000 1.057 393 A HN 0.973 nan 8.150 nan 0.000 0.673 394 N N 0.785 119.518 118.700 0.056 0.000 2.419 394 N HA 0.511 5.251 4.740 0.000 0.000 0.264 394 N C -0.169 175.375 175.510 0.057 0.000 1.031 394 N CA 0.205 53.293 53.050 0.063 0.000 0.951 394 N CB 0.670 39.191 38.487 0.057 0.000 1.101 394 N HN 0.764 nan 8.380 nan 0.000 0.488 395 Q N 1.130 120.985 119.800 0.091 0.000 2.553 395 Q HA 0.662 5.002 4.340 0.000 0.000 0.293 395 Q C -1.650 174.451 176.000 0.170 0.000 1.038 395 Q CA -1.053 54.809 55.803 0.099 0.000 0.777 395 Q CB 1.964 30.760 28.738 0.097 0.000 1.487 395 Q HN 0.465 nan 8.270 nan 0.000 0.426 396 I N 1.098 121.768 120.570 0.166 0.000 2.533 396 I HA 0.361 4.531 4.170 0.000 0.000 0.290 396 I C -1.629 174.638 176.117 0.250 0.000 1.056 396 I CA -0.237 61.204 61.300 0.236 0.000 1.057 396 I CB 2.182 40.293 38.000 0.185 0.000 1.240 396 I HN 0.822 nan 8.210 nan 0.000 0.423 397 Q N 6.395 126.355 119.800 0.266 0.000 2.416 397 Q HA 0.854 5.194 4.340 0.000 0.000 0.281 397 Q C -2.253 173.874 176.000 0.212 0.000 1.067 397 Q CA -0.852 55.103 55.803 0.253 0.000 0.809 397 Q CB 2.628 31.485 28.738 0.197 0.000 1.418 397 Q HN 0.461 nan 8.270 nan 0.000 0.411 398 V N 0.884 120.920 119.914 0.204 0.000 2.668 398 V HA 0.845 4.965 4.120 0.000 0.000 0.304 398 V C -1.112 175.012 176.094 0.049 0.000 1.071 398 V CA -0.356 61.965 62.300 0.034 0.000 0.894 398 V CB 1.633 33.382 31.823 -0.122 0.000 1.008 398 V HN 0.927 nan 8.190 nan 0.000 0.425 399 A N 2.649 125.419 122.820 -0.083 0.000 2.343 399 A HA 0.795 5.115 4.320 0.000 0.000 0.316 399 A C -0.152 177.327 177.584 -0.175 0.000 1.104 399 A CA -0.470 51.525 52.037 -0.069 0.000 0.768 399 A CB 1.214 20.180 19.000 -0.057 0.000 1.213 399 A HN 0.936 nan 8.150 nan 0.000 0.456 400 D N 0.900 121.224 120.400 -0.128 0.000 2.501 400 D HA 0.360 5.000 4.640 0.000 0.000 0.226 400 D C 0.995 177.245 176.300 -0.083 0.000 1.198 400 D CA 0.565 54.458 54.000 -0.178 0.000 0.830 400 D CB 0.122 40.834 40.800 -0.146 0.000 1.014 400 D HN 1.387 nan 8.370 nan 0.000 0.496 401 G N -0.690 108.070 108.800 -0.066 0.000 2.195 401 G HA2 -0.324 3.636 3.960 0.000 0.000 0.246 401 G HA3 -0.324 3.636 3.960 0.000 0.000 0.246 401 G C 1.146 176.033 174.900 -0.021 0.000 0.984 401 G CA 0.444 45.520 45.100 -0.040 0.000 0.633 401 G HN 0.392 nan 8.290 nan 0.000 0.525 402 S N -1.359 114.332 115.700 -0.015 0.000 2.818 402 S HA 0.458 4.928 4.470 0.000 0.000 0.251 402 S C 0.678 175.255 174.600 -0.038 0.000 1.083 402 S CA 0.801 58.999 58.200 -0.004 0.000 0.871 402 S CB 0.946 64.172 63.200 0.044 0.000 0.831 402 S HN 0.584 nan 8.310 nan 0.000 0.470 403 R N 1.452 121.911 120.500 -0.068 0.000 2.740 403 R HA 0.513 4.853 4.340 0.000 0.000 0.273 403 R C -1.761 174.355 176.300 -0.307 0.000 0.998 403 R CA -0.565 55.401 56.100 -0.223 0.000 0.900 403 R CB 1.396 31.508 30.300 -0.314 0.000 1.223 403 R HN -0.003 nan 8.270 nan 0.000 0.466 404 K N 2.510 122.661 120.400 -0.415 0.000 2.292 404 K HA 0.385 4.705 4.320 0.000 0.000 0.257 404 K C -1.531 174.807 176.600 -0.437 0.000 0.940 404 K CA -0.545 55.584 56.287 -0.264 0.000 0.811 404 K CB 0.993 33.434 32.500 -0.098 0.000 1.120 404 K HN 0.554 nan 8.250 nan 0.000 0.428 405 Y N 2.314 122.675 120.300 0.103 0.000 2.326 405 Y HA 0.369 4.919 4.550 0.000 0.000 0.331 405 Y C -0.600 175.522 175.900 0.371 0.000 0.962 405 Y CA -0.911 57.301 58.100 0.187 0.000 1.167 405 Y CB 2.017 40.468 38.460 -0.014 0.000 1.148 405 Y HN 0.101 nan 8.280 nan 0.000 0.463 406 V N 4.520 124.785 119.914 0.586 0.000 2.531 406 V HA 0.499 4.619 4.120 0.000 0.000 0.301 406 V C -0.663 175.641 176.094 0.349 0.000 1.034 406 V CA -0.954 61.584 62.300 0.396 0.000 0.865 406 V CB 1.885 33.850 31.823 0.237 0.000 0.995 406 V HN 0.483 nan 8.190 nan 0.000 0.424 407 V N 3.640 123.704 119.914 0.251 0.000 2.384 407 V HA 0.473 4.593 4.120 0.000 0.000 0.287 407 V C 0.207 176.324 176.094 0.039 0.000 1.020 407 V CA -0.211 62.146 62.300 0.094 0.000 0.850 407 V CB 1.919 33.794 31.823 0.085 0.000 0.987 407 V HN 0.954 nan 8.190 nan 0.000 0.436 408 T N 6.951 121.507 114.554 0.004 0.000 2.758 408 T HA 0.643 4.993 4.350 0.000 0.000 0.285 408 T C -0.336 174.349 174.700 -0.025 0.000 0.981 408 T CA -0.278 61.824 62.100 0.004 0.000 0.965 408 T CB 0.810 69.689 68.868 0.020 0.000 0.927 408 T HN 0.334 nan 8.240 nan 0.000 0.448 409 L N 3.383 124.586 121.223 -0.032 0.000 2.317 409 L HA 0.757 5.097 4.340 0.000 0.000 0.281 409 L C 0.404 177.274 176.870 0.001 0.000 1.024 409 L CA -0.593 54.226 54.840 -0.035 0.000 0.810 409 L CB 1.599 43.611 42.059 -0.080 0.000 1.240 409 L HN 0.776 nan 8.230 nan 0.000 0.427 410 S N 2.358 118.061 115.700 0.004 0.000 2.638 410 S HA 0.667 5.137 4.470 0.000 0.000 0.274 410 S C -1.062 173.544 174.600 0.010 0.000 1.157 410 S CA -0.940 57.272 58.200 0.019 0.000 0.826 410 S CB 1.983 65.197 63.200 0.023 0.000 1.139 410 S HN 0.273 nan 8.310 nan 0.000 0.474 411 I N 2.978 123.562 120.570 0.024 0.000 2.321 411 I HA 0.361 4.531 4.170 0.000 0.000 0.291 411 I C 0.081 176.208 176.117 0.018 0.000 0.998 411 I CA -0.384 60.923 61.300 0.011 0.000 1.227 411 I CB 0.659 38.690 38.000 0.051 0.000 1.368 411 I HN 0.943 nan 8.210 nan 0.000 0.466 412 D N 4.568 124.973 120.400 0.009 0.000 2.447 412 D HA 0.125 4.765 4.640 0.000 0.000 0.265 412 D C 0.724 177.037 176.300 0.021 0.000 1.250 412 D CA -0.248 53.761 54.000 0.015 0.000 1.046 412 D CB 0.833 41.639 40.800 0.011 0.000 1.095 412 D HN 0.376 nan 8.370 nan 0.000 0.555 413 E N -0.937 119.276 120.200 0.022 0.000 2.204 413 E HA -0.083 4.268 4.350 0.000 0.000 0.195 413 E C 1.716 178.336 176.600 0.034 0.000 0.990 413 E CA 1.220 57.635 56.400 0.025 0.000 0.821 413 E CB -0.110 29.602 29.700 0.021 0.000 0.750 413 E HN 0.357 nan 8.360 nan 0.000 0.477 414 S N -0.975 114.750 115.700 0.041 0.000 2.562 414 S HA 0.148 4.618 4.470 0.000 0.000 0.221 414 S C 1.442 176.116 174.600 0.123 0.000 0.975 414 S CA 0.545 58.787 58.200 0.070 0.000 0.918 414 S CB 0.412 63.646 63.200 0.057 0.000 0.772 414 S HN 0.486 nan 8.310 nan 0.000 0.531 415 G N 1.085 109.922 108.800 0.062 0.000 2.141 415 G HA2 -0.145 3.815 3.960 0.000 0.000 0.242 415 G HA3 -0.145 3.815 3.960 0.000 0.000 0.242 415 G C 0.253 175.170 174.900 0.027 0.000 0.982 415 G CA -0.286 44.812 45.100 -0.003 0.000 0.662 415 G HN 0.810 nan 8.290 nan 0.000 0.527 416 G N -0.924 107.905 108.800 0.048 0.000 2.528 416 G HA2 0.676 4.636 3.960 0.000 0.000 0.289 416 G HA3 0.676 4.636 3.960 0.000 0.000 0.289 416 G C -0.274 174.605 174.900 -0.035 0.000 1.192 416 G CA -0.438 44.676 45.100 0.023 0.000 0.921 416 G HN 0.988 nan 8.290 nan 0.000 0.512 417 L N 1.067 122.260 121.223 -0.049 0.000 2.264 417 L HA 0.618 4.958 4.340 0.000 0.000 0.289 417 L C -0.392 176.461 176.870 -0.029 0.000 1.044 417 L CA -0.335 54.472 54.840 -0.055 0.000 0.807 417 L CB 1.432 43.453 42.059 -0.063 0.000 1.192 417 L HN 0.199 nan 8.230 nan 0.000 0.425 418 V N 4.508 124.411 119.914 -0.018 0.000 2.680 418 V HA 0.879 4.999 4.120 0.000 0.000 0.309 418 V C -0.039 176.046 176.094 -0.016 0.000 1.052 418 V CA -0.490 61.800 62.300 -0.017 0.000 0.908 418 V CB 1.544 33.358 31.823 -0.015 0.000 1.001 418 V HN 0.944 nan 8.190 nan 0.000 0.431 419 A N 3.643 126.448 122.820 -0.025 0.000 2.342 419 A HA 0.796 5.116 4.320 0.000 0.000 0.323 419 A C -0.546 176.994 177.584 -0.074 0.000 1.125 419 A CA -0.694 51.318 52.037 -0.041 0.000 0.785 419 A CB 0.869 19.854 19.000 -0.026 0.000 1.221 419 A HN 0.767 nan 8.150 nan 0.000 0.463 420 N N 1.887 120.538 118.700 -0.081 0.000 2.346 420 N HA 0.484 5.224 4.740 0.000 0.000 0.289 420 N C -1.391 174.034 175.510 -0.140 0.000 1.027 420 N CA -0.280 52.713 53.050 -0.095 0.000 0.864 420 N CB 1.856 40.315 38.487 -0.046 0.000 1.370 420 N HN 0.583 nan 8.380 nan 0.000 0.481 421 L N 2.153 123.229 121.223 -0.244 0.000 2.309 421 L HA 0.365 4.705 4.340 0.000 0.000 0.282 421 L C 0.593 177.387 176.870 -0.125 0.000 1.036 421 L CA -1.210 53.398 54.840 -0.386 0.000 0.806 421 L CB 1.101 42.518 42.059 -1.070 0.000 1.220 421 L HN 0.511 nan 8.230 nan 0.000 0.429 422 N N 2.144 120.914 118.700 0.118 0.000 2.440 422 N HA 0.050 4.790 4.740 0.000 0.000 0.265 422 N C 0.767 176.421 175.510 0.240 0.000 1.239 422 N CA 0.662 53.825 53.050 0.189 0.000 0.909 422 N CB 1.182 39.806 38.487 0.227 0.000 1.066 422 N HN 0.875 nan 8.380 nan 0.000 0.474 423 G N 0.497 109.379 108.800 0.138 0.000 2.175 423 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 423 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 423 G C -0.525 174.442 174.900 0.112 0.000 0.982 423 G CA 0.221 45.405 45.100 0.140 0.000 0.641 423 G HN 0.663 nan 8.290 nan 0.000 0.527 424 V N 2.136 122.082 119.914 0.053 0.000 2.378 424 V HA 0.543 4.663 4.120 0.000 0.000 0.288 424 V C 1.542 177.628 176.094 -0.014 0.000 1.016 424 V CA 0.338 62.642 62.300 0.007 0.000 0.840 424 V CB 1.334 33.111 31.823 -0.076 0.000 0.994 424 V HN 0.712 nan 8.190 nan 0.000 0.431 425 S N 4.755 120.456 115.700 0.001 0.000 2.343 425 S HA -0.015 4.455 4.470 0.000 0.000 0.219 425 S C 1.221 175.812 174.600 -0.016 0.000 1.033 425 S CA 0.801 58.999 58.200 -0.003 0.000 1.014 425 S CB -0.191 63.012 63.200 0.005 0.000 0.915 425 S HN 1.176 nan 8.310 nan 0.000 0.435 426 A N 4.155 126.963 122.820 -0.020 0.000 2.492 426 A HA 0.557 4.877 4.320 0.000 0.000 0.254 426 A C -2.189 175.369 177.584 -0.043 0.000 1.091 426 A CA -1.141 50.880 52.037 -0.026 0.000 0.768 426 A CB -0.542 18.445 19.000 -0.022 0.000 1.028 426 A HN 0.420 nan 8.150 nan 0.000 0.498 427 P HA 0.411 nan 4.420 nan 0.000 0.274 427 P C -0.700 176.570 177.300 -0.050 0.000 1.237 427 P CA -0.181 62.891 63.100 -0.047 0.000 0.793 427 P CB 0.626 32.307 31.700 -0.031 0.000 0.977 428 I N 1.934 122.468 120.570 -0.059 0.000 2.389 428 I HA 0.324 4.494 4.170 0.000 0.000 0.288 428 I C 0.049 176.140 176.117 -0.042 0.000 0.999 428 I CA -0.651 60.616 61.300 -0.055 0.000 1.129 428 I CB 1.049 39.005 38.000 -0.073 0.000 1.288 428 I HN 0.122 nan 8.210 nan 0.000 0.444 429 I N 6.890 127.438 120.570 -0.036 0.000 2.363 429 I HA 0.029 4.199 4.170 0.000 0.000 0.292 429 I C 0.723 176.815 176.117 -0.042 0.000 1.075 429 I CA -0.215 61.065 61.300 -0.033 0.000 1.333 429 I CB 0.919 38.903 38.000 -0.026 0.000 1.415 429 I HN 0.578 nan 8.210 nan 0.000 0.502 430 L N 5.440 126.634 121.223 -0.048 0.000 2.162 430 L HA 0.087 4.427 4.340 0.000 0.000 0.205 430 L C 0.678 177.490 176.870 -0.096 0.000 1.086 430 L CA 1.391 56.184 54.840 -0.079 0.000 0.778 430 L CB -0.416 41.590 42.059 -0.088 0.000 0.928 430 L HN 0.569 nan 8.230 nan 0.000 0.446 431 Q N -1.953 117.804 119.800 -0.073 0.000 2.377 431 Q HA 0.393 4.733 4.340 0.000 0.000 0.279 431 Q C 0.283 176.272 176.000 -0.017 0.000 1.049 431 Q CA 0.376 56.150 55.803 -0.049 0.000 0.825 431 Q CB 2.055 30.762 28.738 -0.051 0.000 1.401 431 Q HN 0.113 nan 8.270 nan 0.000 0.404 432 S N -0.704 114.993 115.700 -0.004 0.000 2.575 432 S HA 0.169 4.639 4.470 0.000 0.000 0.230 432 S C 0.097 174.705 174.600 0.012 0.000 1.062 432 S CA -0.192 58.013 58.200 0.008 0.000 0.913 432 S CB 0.349 63.539 63.200 -0.016 0.000 0.837 432 S HN 0.488 nan 8.310 nan 0.000 0.487 433 E N 1.992 122.191 120.200 -0.000 0.000 2.265 433 E HA 0.131 4.481 4.350 0.000 0.000 0.272 433 E C 0.337 176.994 176.600 0.095 0.000 1.067 433 E CA -0.266 56.123 56.400 -0.018 0.000 0.900 433 E CB 0.372 30.070 29.700 -0.004 0.000 1.017 433 E HN 0.358 nan 8.360 nan 0.000 0.431 434 H N 2.682 121.758 119.070 0.011 0.000 2.394 434 H HA -0.227 4.329 4.556 0.000 0.000 0.297 434 H C 1.960 177.353 175.328 0.109 0.000 1.113 434 H CA 1.644 57.723 56.048 0.052 0.000 1.277 434 H CB -0.371 29.420 29.762 0.049 0.000 1.370 434 H HN 0.654 nan 8.280 nan 0.000 0.506 435 A N 1.094 124.041 122.820 0.211 0.000 1.902 435 A HA -0.179 4.141 4.320 0.000 0.000 0.217 435 A C 2.315 180.001 177.584 0.170 0.000 1.181 435 A CA 1.741 53.897 52.037 0.199 0.000 0.623 435 A CB -0.263 18.849 19.000 0.186 0.000 0.818 435 A HN 0.380 nan 8.150 nan 0.000 0.443 436 K N -0.458 120.028 120.400 0.144 0.000 2.155 436 K HA 0.012 4.332 4.320 0.000 0.000 0.203 436 K C 1.791 178.508 176.600 0.196 0.000 1.052 436 K CA 1.030 57.420 56.287 0.171 0.000 0.948 436 K CB -0.258 32.333 32.500 0.152 0.000 0.728 436 K HN 0.287 nan 8.250 nan 0.000 0.448 437 V N 0.979 120.935 119.914 0.071 0.000 2.392 437 V HA -0.244 3.876 4.120 0.000 0.000 0.249 437 V C 1.053 177.001 176.094 -0.243 0.000 1.059 437 V CA 1.844 64.075 62.300 -0.114 0.000 1.051 437 V CB -0.572 31.091 31.823 -0.266 0.000 0.658 437 V HN 0.360 nan 8.190 nan 0.000 0.455 438 H N -0.851 118.265 119.070 0.077 0.000 2.505 438 H HA 0.304 4.860 4.556 0.000 0.000 0.286 438 H C 0.967 176.253 175.328 -0.071 0.000 1.072 438 H CA 0.273 56.319 56.048 -0.003 0.000 1.141 438 H CB 0.136 29.883 29.762 -0.024 0.000 1.550 438 H HN 0.523 nan 8.280 nan 0.000 0.547 439 S N -0.584 115.130 115.700 0.023 0.000 2.713 439 S HA 0.344 4.814 4.470 0.000 0.000 0.283 439 S C -0.178 174.251 174.600 -0.286 0.000 1.161 439 S CA -0.893 57.236 58.200 -0.119 0.000 0.999 439 S CB 1.085 64.221 63.200 -0.107 0.000 1.039 439 S HN 0.045 nan 8.310 nan 0.000 0.548 440 F N 1.115 120.947 119.950 -0.197 0.000 2.471 440 F HA 0.392 4.919 4.527 0.000 0.000 0.353 440 F C 0.854 176.392 175.800 -0.438 0.000 1.113 440 F CA 0.534 58.441 58.000 -0.155 0.000 1.262 440 F CB 0.513 39.471 39.000 -0.068 0.000 1.146 440 F HN 0.642 nan 8.300 nan 0.000 0.578 441 H N 0.154 119.378 119.070 0.256 0.000 2.851 441 H HA 0.280 4.836 4.556 0.000 0.000 0.372 441 H C -1.242 174.060 175.328 -0.044 0.000 1.158 441 H CA -1.000 55.047 56.048 -0.002 0.000 1.159 441 H CB 1.427 31.055 29.762 -0.224 0.000 1.757 441 H HN 0.386 nan 8.280 nan 0.000 0.546 442 D N 2.269 122.661 120.400 -0.013 0.000 2.347 442 D HA 0.083 4.723 4.640 0.000 0.000 0.235 442 D C -0.694 175.559 176.300 -0.079 0.000 1.149 442 D CA -0.068 53.943 54.000 0.020 0.000 0.850 442 D CB 0.680 41.492 40.800 0.021 0.000 1.061 442 D HN 0.408 nan 8.370 nan 0.000 0.487 443 Y N 1.467 121.874 120.300 0.178 0.000 2.404 443 Y HA 0.190 4.740 4.550 0.000 0.000 0.344 443 Y C 0.864 176.886 175.900 0.202 0.000 0.970 443 Y CA -0.522 57.692 58.100 0.190 0.000 1.180 443 Y CB 0.955 39.528 38.460 0.189 0.000 1.138 443 Y HN 0.249 nan 8.280 nan 0.000 0.510 444 E N 4.554 124.948 120.200 0.324 0.000 2.158 444 E HA 0.529 4.879 4.350 0.000 0.000 0.271 444 E C -1.657 175.174 176.600 0.386 0.000 0.911 444 E CA -0.623 55.954 56.400 0.294 0.000 0.767 444 E CB 0.923 30.723 29.700 0.167 0.000 1.120 444 E HN 0.650 nan 8.360 nan 0.000 0.405 445 L N 4.315 125.745 121.223 0.345 0.000 2.305 445 L HA 0.383 4.723 4.340 0.000 0.000 0.284 445 L C -0.331 176.637 176.870 0.163 0.000 1.013 445 L CA -0.581 54.448 54.840 0.315 0.000 0.819 445 L CB 1.660 43.944 42.059 0.376 0.000 1.227 445 L HN 0.536 nan 8.230 nan 0.000 0.417 446 Q N 3.046 122.898 119.800 0.087 0.000 2.381 446 Q HA 0.274 4.614 4.340 0.000 0.000 0.263 446 Q C -1.428 174.373 176.000 -0.330 0.000 1.030 446 Q CA -0.650 55.111 55.803 -0.069 0.000 0.772 446 Q CB 2.397 31.190 28.738 0.092 0.000 1.232 446 Q HN 0.430 nan 8.270 nan 0.000 0.476 447 Y N 1.756 121.526 120.300 -0.885 0.000 2.313 447 Y HA 0.300 4.850 4.550 0.000 0.000 0.332 447 Y C -0.451 175.075 175.900 -0.623 0.000 1.071 447 Y CA -0.336 57.112 58.100 -1.087 0.000 1.169 447 Y CB 1.389 38.513 38.460 -2.226 0.000 1.192 447 Y HN 0.425 nan 8.280 nan 0.000 0.487 448 S N 5.290 120.295 115.700 -1.160 0.000 2.438 448 S HA 0.587 5.057 4.470 0.000 0.000 0.316 448 S C 0.689 174.572 174.600 -1.195 0.000 1.084 448 S CA -0.139 57.535 58.200 -0.876 0.000 1.107 448 S CB 0.639 63.544 63.200 -0.491 0.000 0.981 448 S HN 1.003 nan 8.310 nan 0.000 0.466 449 A N 5.399 127.700 122.820 -0.865 0.000 1.930 449 A HA 0.072 4.392 4.320 0.000 0.000 0.217 449 A C 1.881 179.122 177.584 -0.572 0.000 1.175 449 A CA 1.044 52.759 52.037 -0.537 0.000 0.627 449 A CB -0.582 18.343 19.000 -0.126 0.000 0.815 449 A HN 0.836 nan 8.150 nan 0.000 0.443 450 L N -0.361 120.589 121.223 -0.455 0.000 2.109 450 L HA -0.119 4.221 4.340 0.000 0.000 0.207 450 L C 1.674 178.264 176.870 -0.466 0.000 1.086 450 L CA 0.988 55.587 54.840 -0.402 0.000 0.760 450 L CB -0.385 41.537 42.059 -0.227 0.000 0.910 450 L HN 0.388 nan 8.230 nan 0.000 0.437 451 N N -1.653 116.803 118.700 -0.407 0.000 2.353 451 N HA -0.048 4.692 4.740 0.000 0.000 0.185 451 N C -0.154 175.262 175.510 -0.158 0.000 1.098 451 N CA 0.197 53.101 53.050 -0.244 0.000 0.872 451 N CB 0.102 38.481 38.487 -0.180 0.000 0.970 451 N HN 0.264 nan 8.380 nan 0.000 0.467 452 H N -0.202 118.771 119.070 -0.162 0.000 2.692 452 H HA -0.148 4.408 4.556 0.000 0.000 0.316 452 H C -0.088 175.251 175.328 0.019 0.000 1.176 452 H CA 1.112 57.144 56.048 -0.026 0.000 1.142 452 H CB -1.788 28.005 29.762 0.051 0.000 1.475 452 H HN 0.157 nan 8.280 nan 0.000 0.423 453 T N -0.478 114.033 114.554 -0.072 0.000 2.853 453 T HA 0.488 4.838 4.350 0.000 0.000 0.311 453 T C -0.502 174.066 174.700 -0.219 0.000 1.307 453 T CA -0.173 61.908 62.100 -0.033 0.000 1.019 453 T CB 2.197 71.056 68.868 -0.015 0.000 1.264 453 T HN 0.175 nan 8.240 nan 0.000 0.497 454 T N 2.775 117.160 114.554 -0.283 0.000 2.807 454 T HA 0.616 4.966 4.350 0.000 0.000 0.279 454 T C -0.660 173.961 174.700 -0.131 0.000 0.993 454 T CA -0.430 61.395 62.100 -0.458 0.000 0.970 454 T CB 1.509 69.710 68.868 -1.110 0.000 0.950 454 T HN 0.630 nan 8.240 nan 0.000 0.441 455 T N 3.404 117.933 114.554 -0.041 0.000 2.824 455 T HA 0.530 4.880 4.350 0.000 0.000 0.280 455 T C -0.587 174.187 174.700 0.123 0.000 0.995 455 T CA -0.592 61.526 62.100 0.031 0.000 1.009 455 T CB 1.009 69.824 68.868 -0.088 0.000 0.955 455 T HN 0.341 nan 8.240 nan 0.000 0.452 456 L N 4.181 125.465 121.223 0.102 0.000 2.275 456 L HA 0.685 5.026 4.340 0.000 0.000 0.288 456 L C -1.600 175.218 176.870 -0.086 0.000 1.046 456 L CA -0.284 54.661 54.840 0.175 0.000 0.805 456 L CB -0.030 42.151 42.059 0.203 0.000 1.193 456 L HN 0.481 nan 8.230 nan 0.000 0.426 457 F N 4.254 124.269 119.950 0.110 0.000 2.508 457 F HA 0.671 5.198 4.527 0.000 0.000 0.325 457 F C -0.273 175.534 175.800 0.012 0.000 1.090 457 F CA -0.786 57.242 58.000 0.047 0.000 0.945 457 F CB 2.164 41.184 39.000 0.033 0.000 1.156 457 F HN 0.090 nan 8.300 nan 0.000 0.463 458 V N 2.441 122.421 119.914 0.109 0.000 2.443 458 V HA 0.283 4.403 4.120 0.000 0.000 0.293 458 V C -0.801 175.278 176.094 -0.025 0.000 1.021 458 V CA -1.091 61.160 62.300 -0.081 0.000 0.848 458 V CB 1.320 33.018 31.823 -0.209 0.000 0.998 458 V HN 0.826 nan 8.190 nan 0.000 0.424 459 D N 4.225 124.614 120.400 -0.020 0.000 2.772 459 D HA -0.194 4.446 4.640 0.000 0.000 0.233 459 D C 1.330 177.655 176.300 0.041 0.000 1.143 459 D CA 1.820 55.832 54.000 0.019 0.000 0.700 459 D CB -1.117 39.711 40.800 0.047 0.000 1.076 459 D HN 1.444 nan 8.370 nan 0.000 0.430 460 G N -1.160 107.685 108.800 0.074 0.000 2.176 460 G HA2 -0.326 3.634 3.960 0.000 0.000 0.253 460 G HA3 -0.326 3.634 3.960 0.000 0.000 0.253 460 G C 0.095 175.109 174.900 0.191 0.000 0.979 460 G CA 0.283 45.437 45.100 0.090 0.000 0.641 460 G HN 0.372 nan 8.290 nan 0.000 0.530 461 Q N 0.409 120.312 119.800 0.172 0.000 2.257 461 Q HA 0.417 4.757 4.340 0.000 0.000 0.255 461 Q C 0.204 176.267 176.000 0.104 0.000 0.920 461 Q CA -0.416 55.465 55.803 0.131 0.000 0.927 461 Q CB 1.548 30.311 28.738 0.042 0.000 1.229 461 Q HN 0.622 nan 8.270 nan 0.000 0.433 462 Q N 2.955 122.761 119.800 0.011 0.000 2.271 462 Q HA 0.054 4.394 4.340 0.000 0.000 0.273 462 Q C 0.252 176.115 176.000 -0.228 0.000 1.051 462 Q CA 0.095 55.687 55.803 -0.352 0.000 0.901 462 Q CB 0.531 29.094 28.738 -0.292 0.000 1.174 462 Q HN 0.562 nan 8.270 nan 0.000 0.385 463 I N 1.903 122.319 120.570 -0.258 0.000 3.136 463 I HA 0.169 4.339 4.170 0.000 0.000 0.262 463 I C 1.025 177.069 176.117 -0.121 0.000 1.132 463 I CA 0.716 61.932 61.300 -0.140 0.000 1.450 463 I CB -0.035 37.910 38.000 -0.092 0.000 1.315 463 I HN 0.653 nan 8.210 nan 0.000 0.460 464 T N -0.158 114.322 114.554 -0.122 0.000 2.749 464 T HA 0.464 4.814 4.350 0.000 0.000 0.310 464 T C -1.340 173.380 174.700 0.032 0.000 1.496 464 T CA -0.227 61.842 62.100 -0.053 0.000 1.006 464 T CB 1.773 70.605 68.868 -0.059 0.000 1.457 464 T HN 0.029 nan 8.240 nan 0.000 0.497 465 T N 2.477 117.100 114.554 0.116 0.000 2.886 465 T HA 0.750 5.100 4.350 0.000 0.000 0.292 465 T C -1.393 173.547 174.700 0.399 0.000 1.012 465 T CA -0.604 61.628 62.100 0.220 0.000 0.982 465 T CB 0.838 69.755 68.868 0.082 0.000 1.018 465 T HN 0.743 nan 8.240 nan 0.000 0.451 466 W N 0.647 121.991 121.300 0.075 0.000 3.025 466 W HA 0.710 5.370 4.660 0.000 0.000 0.343 466 W C -0.181 176.484 176.519 0.243 0.000 1.246 466 W CA -1.074 56.351 57.345 0.134 0.000 1.178 466 W CB 0.869 30.409 29.460 0.134 0.000 1.463 466 W HN 0.601 nan 8.180 nan 0.000 0.578 467 A N 1.687 124.632 122.820 0.209 0.000 2.238 467 A HA 0.556 4.876 4.320 0.000 0.000 0.210 467 A C 1.347 178.879 177.584 -0.087 0.000 1.179 467 A CA 1.175 53.274 52.037 0.104 0.000 0.827 467 A CB -1.126 17.947 19.000 0.121 0.000 0.856 467 A HN 2.203 nan 8.150 nan 0.000 0.488 468 G N -0.345 108.284 108.800 -0.285 0.000 2.569 468 G HA2 -0.195 3.765 3.960 0.000 0.000 0.259 468 G HA3 -0.195 3.765 3.960 0.000 0.000 0.259 468 G C -0.417 174.386 174.900 -0.162 0.000 1.263 468 G CA 0.178 45.027 45.100 -0.418 0.000 0.928 468 G HN 0.623 nan 8.290 nan 0.000 0.572 469 E N -1.550 118.509 120.200 -0.235 0.000 2.367 469 E HA 0.507 4.857 4.350 0.000 0.000 0.273 469 E C -0.239 176.279 176.600 -0.137 0.000 0.903 469 E CA -1.041 55.295 56.400 -0.107 0.000 0.764 469 E CB 2.574 32.255 29.700 -0.033 0.000 1.252 469 E HN 0.518 nan 8.360 nan 0.000 0.446 470 V N 1.881 121.748 119.914 -0.078 0.000 2.694 470 V HA 0.160 4.280 4.120 0.000 0.000 0.306 470 V C 0.182 176.237 176.094 -0.064 0.000 1.054 470 V CA 0.722 62.982 62.300 -0.067 0.000 1.161 470 V CB 0.779 32.580 31.823 -0.038 0.000 0.916 470 V HN 0.637 nan 8.190 nan 0.000 0.490 471 S N 2.784 118.445 115.700 -0.064 0.000 2.558 471 S HA 0.344 4.814 4.470 0.000 0.000 0.277 471 S C -0.249 174.324 174.600 -0.045 0.000 1.143 471 S CA -0.679 57.489 58.200 -0.053 0.000 0.865 471 S CB 2.017 65.177 63.200 -0.066 0.000 1.102 471 S HN 0.648 nan 8.310 nan 0.000 0.454 472 Q N 1.538 121.317 119.800 -0.035 0.000 2.282 472 Q HA 0.258 4.598 4.340 0.000 0.000 0.206 472 Q C -0.271 175.707 176.000 -0.037 0.000 0.878 472 Q CA 0.249 56.033 55.803 -0.031 0.000 0.944 472 Q CB 0.377 29.101 28.738 -0.024 0.000 1.100 472 Q HN 0.704 nan 8.270 nan 0.000 0.509 473 E N 1.083 121.258 120.200 -0.042 0.000 2.373 473 E HA 0.189 4.539 4.350 0.000 0.000 0.263 473 E C -0.425 176.137 176.600 -0.063 0.000 1.073 473 E CA -0.052 56.320 56.400 -0.046 0.000 0.894 473 E CB 0.515 30.191 29.700 -0.039 0.000 1.008 473 E HN -0.007 nan 8.360 nan 0.000 0.420 474 N N 2.279 120.935 118.700 -0.074 0.000 2.609 474 N HA 0.146 4.886 4.740 0.000 0.000 0.268 474 N C -1.671 173.768 175.510 -0.118 0.000 1.106 474 N CA -0.302 52.684 53.050 -0.106 0.000 0.823 474 N CB 0.350 38.780 38.487 -0.095 0.000 1.263 474 N HN 0.641 nan 8.380 nan 0.000 0.533 475 N N 2.366 120.986 118.700 -0.134 0.000 3.356 475 N HA 0.295 5.036 4.740 0.000 0.000 0.246 475 N C -1.821 173.623 175.510 -0.111 0.000 1.480 475 N CA -0.728 52.245 53.050 -0.128 0.000 0.877 475 N CB 1.409 39.845 38.487 -0.084 0.000 1.431 475 N HN 0.223 nan 8.380 nan 0.000 0.500 476 I N -0.134 120.393 120.570 -0.071 0.000 2.545 476 I HA 0.387 4.557 4.170 0.000 0.000 0.292 476 I C -1.409 174.837 176.117 0.214 0.000 1.040 476 I CA -0.306 61.026 61.300 0.053 0.000 1.068 476 I CB 2.123 40.156 38.000 0.055 0.000 1.251 476 I HN 0.699 nan 8.210 nan 0.000 0.424 477 Q N 6.774 126.764 119.800 0.317 0.000 2.377 477 Q HA 0.562 4.902 4.340 0.000 0.000 0.279 477 Q C -2.089 174.185 176.000 0.457 0.000 1.049 477 Q CA -0.688 55.341 55.803 0.377 0.000 0.825 477 Q CB 2.658 31.506 28.738 0.184 0.000 1.401 477 Q HN 0.635 nan 8.270 nan 0.000 0.404 478 F N -0.067 120.036 119.950 0.256 0.000 2.686 478 F HA 0.937 5.464 4.527 0.000 0.000 0.311 478 F C -0.298 175.613 175.800 0.185 0.000 1.128 478 F CA 0.067 58.184 58.000 0.196 0.000 0.946 478 F CB 1.380 40.496 39.000 0.193 0.000 1.336 478 F HN 0.816 nan 8.300 nan 0.000 0.457 479 G N 1.703 110.631 108.800 0.214 0.000 2.302 479 G HA2 0.151 4.112 3.960 0.000 0.000 0.276 479 G HA3 0.151 4.112 3.960 0.000 0.000 0.276 479 G C -2.371 172.576 174.900 0.078 0.000 1.316 479 G CA -0.890 44.260 45.100 0.083 0.000 0.988 479 G HN 1.062 nan 8.290 nan 0.000 0.479 480 N N 0.213 118.928 118.700 0.025 0.000 2.425 480 N HA 0.640 5.380 4.740 0.000 0.000 0.268 480 N C 0.760 176.273 175.510 0.005 0.000 0.991 480 N CA 0.560 53.626 53.050 0.027 0.000 0.931 480 N CB 1.670 40.167 38.487 0.017 0.000 1.130 480 N HN 1.112 nan 8.380 nan 0.000 0.493 481 A N 2.619 125.452 122.820 0.022 0.000 2.308 481 A HA 0.148 4.468 4.320 0.000 0.000 0.217 481 A C 0.062 177.654 177.584 0.013 0.000 1.216 481 A CA 0.102 52.145 52.037 0.011 0.000 0.864 481 A CB 0.042 19.057 19.000 0.024 0.000 0.902 481 A HN 0.664 nan 8.150 nan 0.000 0.499 482 D N -0.868 119.548 120.400 0.027 0.000 2.788 482 D HA 0.532 5.172 4.640 0.000 0.000 0.247 482 D C 0.685 177.010 176.300 0.042 0.000 1.236 482 D CA 0.286 54.304 54.000 0.031 0.000 0.898 482 D CB 1.980 42.805 40.800 0.042 0.000 1.401 482 D HN -0.011 nan 8.370 nan 0.000 0.549 483 A N 3.358 126.195 122.820 0.028 0.000 2.121 483 A HA -0.114 4.206 4.320 0.000 0.000 0.218 483 A C 1.538 179.161 177.584 0.065 0.000 1.154 483 A CA 1.180 53.239 52.037 0.036 0.000 0.679 483 A CB -0.023 18.981 19.000 0.007 0.000 0.795 483 A HN 0.637 nan 8.150 nan 0.000 0.458 484 Q N -1.008 118.827 119.800 0.059 0.000 2.319 484 Q HA 0.336 4.676 4.340 0.000 0.000 0.202 484 Q C -0.644 175.406 176.000 0.083 0.000 0.896 484 Q CA 0.183 56.026 55.803 0.067 0.000 0.942 484 Q CB 0.489 29.255 28.738 0.046 0.000 1.083 484 Q HN 0.617 nan 8.270 nan 0.000 0.510 485 I N 1.669 122.295 120.570 0.093 0.000 2.439 485 I HA 0.206 4.376 4.170 0.000 0.000 0.283 485 I C -0.935 175.271 176.117 0.148 0.000 1.023 485 I CA -0.892 60.471 61.300 0.105 0.000 1.100 485 I CB 1.587 39.635 38.000 0.080 0.000 1.238 485 I HN -0.129 nan 8.210 nan 0.000 0.445 486 D N 5.080 125.596 120.400 0.192 0.000 2.414 486 D HA 0.509 5.149 4.640 0.000 0.000 0.242 486 D C 0.317 176.786 176.300 0.282 0.000 1.129 486 D CA 0.538 54.712 54.000 0.291 0.000 0.885 486 D CB 1.679 42.653 40.800 0.288 0.000 1.198 486 D HN 0.777 nan 8.370 nan 0.000 0.437 487 G N 0.674 109.696 108.800 0.370 0.000 2.655 487 G HA2 0.491 4.451 3.960 0.000 0.000 0.296 487 G HA3 0.491 4.451 3.960 0.000 0.000 0.296 487 G C -1.438 173.558 174.900 0.161 0.000 1.485 487 G CA -0.945 44.316 45.100 0.268 0.000 0.869 487 G HN 0.409 nan 8.290 nan 0.000 0.540 488 R N 0.750 121.329 120.500 0.131 0.000 2.538 488 R HA 0.735 5.075 4.340 0.000 0.000 0.292 488 R C -1.015 175.277 176.300 -0.013 0.000 1.008 488 R CA -0.813 55.246 56.100 -0.068 0.000 0.896 488 R CB 1.461 31.666 30.300 -0.158 0.000 1.187 488 R HN 0.814 nan 8.270 nan 0.000 0.440 489 L N 0.235 121.477 121.223 0.032 0.000 2.388 489 L HA 0.709 5.049 4.340 0.000 0.000 0.264 489 L C -1.419 175.628 176.870 0.295 0.000 0.998 489 L CA -1.115 53.776 54.840 0.085 0.000 0.817 489 L CB 2.310 44.438 42.059 0.116 0.000 1.338 489 L HN 0.573 nan 8.230 nan 0.000 0.414 490 H N 1.469 120.557 119.070 0.030 0.000 2.524 490 H HA 0.793 5.349 4.556 0.000 0.000 0.353 490 H C -0.828 174.689 175.328 0.315 0.000 1.136 490 H CA -0.944 55.174 56.048 0.117 0.000 1.193 490 H CB 2.449 32.272 29.762 0.102 0.000 1.558 490 H HN 0.534 nan 8.280 nan 0.000 0.515 491 V N 2.976 123.153 119.914 0.438 0.000 2.656 491 V HA 0.225 4.345 4.120 0.000 0.000 0.307 491 V C 0.521 176.743 176.094 0.213 0.000 1.051 491 V CA -0.586 61.922 62.300 0.346 0.000 0.893 491 V CB 2.193 34.114 31.823 0.164 0.000 0.999 491 V HN 0.792 nan 8.190 nan 0.000 0.426 492 Q N 1.903 121.738 119.800 0.057 0.000 2.402 492 Q HA 0.334 4.674 4.340 0.000 0.000 0.231 492 Q C 0.323 176.236 176.000 -0.146 0.000 0.888 492 Q CA 0.326 56.063 55.803 -0.110 0.000 0.938 492 Q CB 1.289 29.800 28.738 -0.379 0.000 1.086 492 Q HN 0.639 nan 8.270 nan 0.000 0.543 493 K N 0.514 120.845 120.400 -0.114 0.000 2.572 493 K HA 0.456 4.776 4.320 0.000 0.000 0.263 493 K C -2.003 174.584 176.600 -0.022 0.000 0.932 493 K CA -0.326 55.895 56.287 -0.110 0.000 0.838 493 K CB 1.660 34.112 32.500 -0.080 0.000 1.366 493 K HN -0.062 nan 8.250 nan 0.000 0.425 494 I N 3.575 124.169 120.570 0.040 0.000 2.534 494 I HA 0.427 4.597 4.170 0.000 0.000 0.288 494 I C -1.097 175.128 176.117 0.179 0.000 1.077 494 I CA -1.035 60.336 61.300 0.117 0.000 1.051 494 I CB 2.127 40.193 38.000 0.110 0.000 1.234 494 I HN 0.213 nan 8.210 nan 0.000 0.425 495 V N 6.214 126.218 119.914 0.151 0.000 2.925 495 V HA 0.563 4.683 4.120 0.000 0.000 0.311 495 V C -1.134 175.033 176.094 0.121 0.000 1.104 495 V CA -0.718 61.657 62.300 0.125 0.000 0.954 495 V CB 2.831 34.700 31.823 0.076 0.000 1.022 495 V HN 0.478 nan 8.190 nan 0.000 0.427 496 L N 2.782 124.053 121.223 0.080 0.000 2.438 496 L HA 0.889 5.229 4.340 0.000 0.000 0.270 496 L C -0.516 176.374 176.870 0.033 0.000 0.972 496 L CA 0.369 55.245 54.840 0.060 0.000 0.831 496 L CB 2.101 44.155 42.059 -0.009 0.000 1.273 496 L HN 0.846 nan 8.230 nan 0.000 0.405 497 T N 3.743 118.350 114.554 0.088 0.000 2.903 497 T HA 0.650 5.000 4.350 0.000 0.000 0.299 497 T C -1.700 173.092 174.700 0.154 0.000 1.093 497 T CA -0.337 61.809 62.100 0.076 0.000 1.002 497 T CB 1.438 70.344 68.868 0.063 0.000 1.127 497 T HN 0.796 nan 8.240 nan 0.000 0.488 498 Q N 2.232 122.118 119.800 0.142 0.000 2.281 498 Q HA 0.343 4.683 4.340 0.000 0.000 0.263 498 Q C -1.098 174.994 176.000 0.154 0.000 0.989 498 Q CA -0.420 55.493 55.803 0.184 0.000 0.852 498 Q CB 1.233 30.087 28.738 0.193 0.000 1.337 498 Q HN 0.836 nan 8.270 nan 0.000 0.418 499 Q N 2.085 121.962 119.800 0.129 0.000 2.451 499 Q HA -0.263 4.077 4.340 0.000 0.000 0.305 499 Q C 0.396 176.455 176.000 0.098 0.000 1.345 499 Q CA 0.921 56.781 55.803 0.096 0.000 0.854 499 Q CB -1.801 26.988 28.738 0.085 0.000 1.162 499 Q HN 1.209 nan 8.270 nan 0.000 0.440 500 G N 0.071 108.927 108.800 0.094 0.000 2.179 500 G HA2 -0.342 3.618 3.960 0.000 0.000 0.257 500 G HA3 -0.342 3.618 3.960 0.000 0.000 0.257 500 G C -0.367 174.620 174.900 0.144 0.000 1.010 500 G CA 0.783 45.936 45.100 0.089 0.000 0.736 500 G HN 0.720 nan 8.290 nan 0.000 0.513 501 H N -0.136 118.953 119.070 0.031 0.000 2.667 501 H HA 0.512 5.068 4.556 0.000 0.000 0.353 501 H C -0.075 175.270 175.328 0.029 0.000 1.072 501 H CA -0.829 55.233 56.048 0.024 0.000 1.214 501 H CB 0.668 30.441 29.762 0.019 0.000 1.600 501 H HN 0.204 nan 8.280 nan 0.000 0.527 502 N N 5.714 124.133 118.700 -0.469 0.000 2.405 502 N HA 0.077 4.817 4.740 0.000 0.000 0.260 502 N C 0.911 176.128 175.510 -0.488 0.000 1.152 502 N CA -0.175 52.669 53.050 -0.342 0.000 0.948 502 N CB 1.125 39.492 38.487 -0.201 0.000 1.111 502 N HN 0.528 nan 8.380 nan 0.000 0.485 503 L N 2.429 123.505 121.223 -0.244 0.000 2.131 503 L HA 0.035 4.375 4.340 0.000 0.000 0.206 503 L C 0.655 177.451 176.870 -0.123 0.000 1.087 503 L CA 0.549 55.295 54.840 -0.157 0.000 0.767 503 L CB -0.064 41.944 42.059 -0.084 0.000 0.917 503 L HN 0.397 nan 8.230 nan 0.000 0.441 504 V N -2.975 116.890 119.914 -0.082 0.000 2.888 504 V HA 0.621 4.741 4.120 0.000 0.000 0.309 504 V C -1.121 175.019 176.094 0.076 0.000 1.114 504 V CA -0.669 61.619 62.300 -0.021 0.000 0.940 504 V CB 2.246 34.033 31.823 -0.061 0.000 1.021 504 V HN 0.173 nan 8.190 nan 0.000 0.426 505 E N 3.378 123.673 120.200 0.158 0.000 2.313 505 E HA 0.548 4.898 4.350 0.000 0.000 0.280 505 E C -2.450 174.344 176.600 0.323 0.000 0.898 505 E CA -0.561 55.950 56.400 0.185 0.000 0.803 505 E CB 2.116 31.862 29.700 0.076 0.000 1.286 505 E HN 0.826 nan 8.360 nan 0.000 0.401 506 F N 4.893 124.926 119.950 0.138 0.000 2.513 506 F HA 0.365 4.892 4.527 0.000 0.000 0.358 506 F C -1.184 174.638 175.800 0.036 0.000 1.118 506 F CA -1.180 56.874 58.000 0.090 0.000 1.037 506 F CB 1.298 40.316 39.000 0.029 0.000 1.276 506 F HN 0.329 nan 8.300 nan 0.000 0.446 507 D N 5.012 125.261 120.400 -0.250 0.000 2.499 507 D HA 0.366 5.007 4.640 0.000 0.000 0.225 507 D C 0.954 177.014 176.300 -0.400 0.000 1.124 507 D CA 0.238 54.088 54.000 -0.250 0.000 0.938 507 D CB 1.335 42.110 40.800 -0.042 0.000 1.014 507 D HN 0.653 nan 8.370 nan 0.000 0.517 508 A N 3.346 125.718 122.820 -0.747 0.000 1.969 508 A HA -0.161 4.159 4.320 0.000 0.000 0.218 508 A C 1.814 179.361 177.584 -0.062 0.000 1.169 508 A CA 0.620 52.377 52.037 -0.467 0.000 0.635 508 A CB -0.649 18.106 19.000 -0.408 0.000 0.810 508 A HN 0.590 nan 8.150 nan 0.000 0.445 509 F N -0.691 119.159 119.950 -0.167 0.000 2.126 509 F HA -0.220 4.307 4.527 0.000 0.000 0.299 509 F C 2.082 177.853 175.800 -0.048 0.000 1.096 509 F CA 2.019 59.958 58.000 -0.102 0.000 1.255 509 F CB -0.532 38.389 39.000 -0.132 0.000 0.997 509 F HN 0.386 nan 8.300 nan 0.000 0.479 510 Y N 0.518 120.740 120.300 -0.130 0.000 2.184 510 Y HA -0.128 4.422 4.550 0.000 0.000 0.290 510 Y C 2.103 177.863 175.900 -0.234 0.000 1.129 510 Y CA 1.895 59.877 58.100 -0.195 0.000 1.144 510 Y CB -0.635 37.780 38.460 -0.076 0.000 0.995 510 Y HN 0.075 nan 8.280 nan 0.000 0.513 511 L N -0.088 120.999 121.223 -0.227 0.000 2.079 511 L HA -0.239 4.101 4.340 0.000 0.000 0.210 511 L C 2.759 179.320 176.870 -0.516 0.000 1.081 511 L CA 1.183 55.786 54.840 -0.395 0.000 0.752 511 L CB -1.041 40.825 42.059 -0.321 0.000 0.896 511 L HN 0.352 nan 8.230 nan 0.000 0.433 512 A N -0.602 122.001 122.820 -0.362 0.000 1.978 512 A HA -0.283 4.037 4.320 0.000 0.000 0.220 512 A C 2.215 179.696 177.584 -0.173 0.000 1.170 512 A CA 1.846 53.761 52.037 -0.204 0.000 0.636 512 A CB -0.460 18.544 19.000 0.007 0.000 0.810 512 A HN 0.522 nan 8.150 nan 0.000 0.448 513 Q N -0.839 118.782 119.800 -0.299 0.000 2.360 513 Q HA 0.027 4.367 4.340 0.000 0.000 0.202 513 Q C -0.067 175.815 176.000 -0.196 0.000 0.915 513 Q CA -0.146 55.522 55.803 -0.225 0.000 0.943 513 Q CB 0.151 28.686 28.738 -0.338 0.000 1.064 513 Q HN 0.572 nan 8.270 nan 0.000 0.511 514 Q N 0.944 120.545 119.800 -0.332 0.000 2.260 514 Q HA 0.158 4.498 4.340 0.000 0.000 0.238 514 Q C 0.135 175.875 176.000 -0.434 0.000 0.948 514 Q CA 0.058 55.634 55.803 -0.379 0.000 0.895 514 Q CB 1.177 29.625 28.738 -0.484 0.000 1.218 514 Q HN 0.251 nan 8.270 nan 0.000 0.470 515 T N -2.150 112.072 114.554 -0.554 0.000 2.766 515 T HA 0.169 4.520 4.350 0.000 0.000 0.295 515 T C -1.750 172.417 174.700 -0.889 0.000 1.024 515 T CA -1.406 60.090 62.100 -1.007 0.000 1.018 515 T CB 0.169 68.662 68.868 -0.626 0.000 1.002 515 T HN 0.244 nan 8.240 nan 0.000 0.532 516 P HA -0.118 nan 4.420 nan 0.000 0.221 516 P C 1.403 178.504 177.300 -0.332 0.000 1.145 516 P CA 1.159 63.909 63.100 -0.583 0.000 0.795 516 P CB -0.124 31.306 31.700 -0.449 0.000 0.775 517 E N -1.000 119.020 120.200 -0.301 0.000 2.153 517 E HA -0.068 4.282 4.350 0.000 0.000 0.194 517 E C 0.308 176.813 176.600 -0.158 0.000 0.988 517 E CA 0.570 56.858 56.400 -0.187 0.000 0.811 517 E CB -0.682 28.923 29.700 -0.158 0.000 0.746 517 E HN -0.028 nan 8.360 nan 0.000 0.466 518 V N 2.462 122.256 119.914 -0.199 0.000 2.555 518 V HA 0.034 4.154 4.120 0.000 0.000 0.286 518 V C 0.188 176.202 176.094 -0.135 0.000 1.044 518 V CA -0.359 61.852 62.300 -0.149 0.000 1.026 518 V CB 1.032 32.749 31.823 -0.178 0.000 0.981 518 V HN 0.209 nan 8.190 nan 0.000 0.480 519 E N 4.320 124.478 120.200 -0.070 0.000 2.366 519 E HA 0.121 4.471 4.350 0.000 0.000 0.266 519 E C 0.402 176.978 176.600 -0.041 0.000 1.015 519 E CA 0.511 56.887 56.400 -0.041 0.000 0.906 519 E CB 0.587 30.286 29.700 -0.001 0.000 0.979 519 E HN 0.614 nan 8.360 nan 0.000 0.443 520 K N 2.618 122.991 120.400 -0.045 0.000 2.491 520 K HA 0.105 4.425 4.320 0.000 0.000 0.211 520 K C -0.369 176.301 176.600 0.117 0.000 1.210 520 K CA -0.329 55.934 56.287 -0.041 0.000 1.003 520 K CB 0.571 32.900 32.500 -0.284 0.000 1.009 520 K HN 0.396 nan 8.250 nan 0.000 0.577 521 D N 2.006 122.452 120.400 0.077 0.000 2.382 521 D HA 0.022 4.663 4.640 0.000 0.000 0.259 521 D C 1.021 177.318 176.300 -0.005 0.000 1.224 521 D CA 0.142 54.180 54.000 0.063 0.000 0.894 521 D CB 0.787 41.627 40.800 0.067 0.000 1.127 521 D HN 0.026 nan 8.370 nan 0.000 0.487 522 L N 3.365 124.486 121.223 -0.170 0.000 2.079 522 L HA -0.186 4.154 4.340 0.000 0.000 0.210 522 L C 2.037 178.932 176.870 0.042 0.000 1.081 522 L CA 1.214 55.870 54.840 -0.307 0.000 0.752 522 L CB -0.174 41.339 42.059 -0.911 0.000 0.896 522 L HN 0.521 nan 8.230 nan 0.000 0.433 523 E N -0.199 120.058 120.200 0.095 0.000 2.409 523 E HA -0.175 4.175 4.350 0.000 0.000 0.198 523 E C 1.491 178.157 176.600 0.110 0.000 1.024 523 E CA 0.654 57.142 56.400 0.146 0.000 0.861 523 E CB 0.103 29.881 29.700 0.130 0.000 0.788 523 E HN 0.480 nan 8.360 nan 0.000 0.521 524 K N 0.089 120.543 120.400 0.090 0.000 2.358 524 K HA 0.180 4.500 4.320 0.000 0.000 0.197 524 K C 0.967 177.618 176.600 0.086 0.000 1.025 524 K CA 0.019 56.349 56.287 0.072 0.000 1.104 524 K CB 0.674 33.206 32.500 0.054 0.000 0.855 524 K HN 0.048 nan 8.250 nan 0.000 0.531 525 L N -0.006 121.297 121.223 0.134 0.000 2.910 525 L HA 0.253 4.593 4.340 0.000 0.000 0.252 525 L C 0.700 177.689 176.870 0.198 0.000 1.195 525 L CA -0.095 54.850 54.840 0.175 0.000 1.003 525 L CB 0.737 42.924 42.059 0.213 0.000 1.328 525 L HN 0.381 nan 8.230 nan 0.000 0.540 526 G N -1.332 107.541 108.800 0.120 0.000 2.176 526 G HA2 -0.248 3.712 3.960 0.000 0.000 0.232 526 G HA3 -0.248 3.712 3.960 0.000 0.000 0.232 526 G C -0.361 174.472 174.900 -0.111 0.000 0.986 526 G CA -0.534 44.551 45.100 -0.024 0.000 0.643 526 G HN 0.239 nan 8.290 nan 0.000 0.522 527 W N 0.569 121.859 121.300 -0.017 0.000 2.516 527 W HA 0.705 5.365 4.660 0.000 0.000 0.343 527 W C 0.372 176.910 176.519 0.031 0.000 1.094 527 W CA -0.437 56.914 57.345 0.010 0.000 1.250 527 W CB 1.315 30.779 29.460 0.008 0.000 1.308 527 W HN 0.023 nan 8.180 nan 0.000 0.588 528 T N 2.457 117.161 114.554 0.251 0.000 2.771 528 T HA 0.252 4.602 4.350 0.000 0.000 0.281 528 T C -0.554 174.177 174.700 0.052 0.000 0.982 528 T CA -0.846 61.323 62.100 0.114 0.000 0.978 528 T CB 0.839 69.727 68.868 0.032 0.000 0.930 528 T HN 0.209 nan 8.240 nan 0.000 0.447 529 K N 4.044 124.422 120.400 -0.037 0.000 2.227 529 K HA 0.479 4.800 4.320 0.000 0.000 0.280 529 K C -0.900 175.555 176.600 -0.242 0.000 1.041 529 K CA -0.496 55.609 56.287 -0.303 0.000 0.905 529 K CB 0.388 32.763 32.500 -0.209 0.000 1.068 529 K HN 0.559 nan 8.250 nan 0.000 0.470 530 I N 5.146 125.528 120.570 -0.313 0.000 2.390 530 I HA 0.269 4.439 4.170 0.000 0.000 0.283 530 I C -0.487 175.503 176.117 -0.212 0.000 1.016 530 I CA -0.622 60.560 61.300 -0.197 0.000 1.151 530 I CB 1.425 39.337 38.000 -0.148 0.000 1.293 530 I HN 0.513 nan 8.210 nan 0.000 0.458 531 K N 5.136 125.440 120.400 -0.161 0.000 2.371 531 K HA 0.767 5.087 4.320 0.000 0.000 0.251 531 K C -0.856 175.683 176.600 -0.102 0.000 0.934 531 K CA -0.344 55.859 56.287 -0.141 0.000 0.798 531 K CB 2.337 34.753 32.500 -0.141 0.000 1.204 531 K HN 0.643 nan 8.250 nan 0.000 0.427 532 T N -0.150 114.347 114.554 -0.094 0.000 2.903 532 T HA 0.720 5.071 4.350 0.000 0.000 0.299 532 T C 0.487 175.128 174.700 -0.097 0.000 1.093 532 T CA 0.046 62.097 62.100 -0.081 0.000 1.002 532 T CB 1.472 70.305 68.868 -0.059 0.000 1.127 532 T HN 0.998 nan 8.240 nan 0.000 0.488 533 G N 2.276 111.011 108.800 -0.108 0.000 2.552 533 G HA2 -0.193 3.767 3.960 0.000 0.000 0.265 533 G HA3 -0.193 3.767 3.960 0.000 0.000 0.265 533 G C -0.708 174.035 174.900 -0.263 0.000 1.234 533 G CA -0.234 44.773 45.100 -0.155 0.000 0.944 533 G HN 1.075 nan 8.290 nan 0.000 0.568 534 N N 1.573 120.021 118.700 -0.419 0.000 2.392 534 N HA 0.637 5.377 4.740 0.000 0.000 0.283 534 N C 0.173 175.438 175.510 -0.407 0.000 1.003 534 N CA 0.502 53.108 53.050 -0.739 0.000 0.892 534 N CB 1.750 39.090 38.487 -1.912 0.000 1.193 534 N HN 1.121 nan 8.380 nan 0.000 0.487 535 T N -1.339 113.080 114.554 -0.225 0.000 2.787 535 T HA 0.768 5.118 4.350 0.000 0.000 0.297 535 T C -0.651 174.079 174.700 0.051 0.000 1.221 535 T CA -0.921 61.163 62.100 -0.028 0.000 1.006 535 T CB 1.821 70.652 68.868 -0.062 0.000 1.328 535 T HN 0.442 nan 8.240 nan 0.000 0.509 536 M N 0.438 120.061 119.600 0.040 0.000 2.421 536 M HA 0.757 5.237 4.480 0.000 0.000 0.287 536 M C -1.260 175.003 176.300 -0.061 0.000 1.183 536 M CA -0.819 54.521 55.300 0.067 0.000 0.916 536 M CB 2.380 35.096 32.600 0.193 0.000 1.701 536 M HN 0.913 nan 8.290 nan 0.000 0.470 537 S N 2.483 118.150 115.700 -0.056 0.000 2.569 537 S HA 0.986 5.456 4.470 0.000 0.000 0.280 537 S C -1.009 173.469 174.600 -0.203 0.000 1.111 537 S CA -0.767 57.287 58.200 -0.243 0.000 0.887 537 S CB 2.401 65.484 63.200 -0.195 0.000 1.095 537 S HN 1.310 nan 8.310 nan 0.000 0.476 538 L N -2.130 118.838 121.223 -0.425 0.000 2.940 538 L HA 0.696 5.036 4.340 0.000 0.000 0.270 538 L C -2.030 174.689 176.870 -0.252 0.000 1.030 538 L CA -1.261 53.458 54.840 -0.201 0.000 0.928 538 L CB 0.430 42.389 42.059 -0.167 0.000 1.506 538 L HN 0.691 nan 8.230 nan 0.000 0.405 539 Y N 0.901 121.238 120.300 0.061 0.000 2.310 539 Y HA 0.665 5.215 4.550 0.000 0.000 0.326 539 Y C 1.342 177.224 175.900 -0.029 0.000 1.151 539 Y CA 0.767 58.928 58.100 0.101 0.000 1.195 539 Y CB 1.597 40.147 38.460 0.149 0.000 1.210 539 Y HN 1.102 nan 8.280 nan 0.000 0.483 540 G N 3.085 111.974 108.800 0.148 0.000 2.952 540 G HA2 -0.317 3.643 3.960 0.000 0.000 0.992 540 G HA3 -0.317 3.643 3.960 0.000 0.000 0.992 540 G C -0.340 174.547 174.900 -0.021 0.000 1.410 540 G CA -0.565 44.562 45.100 0.044 0.000 1.009 540 G HN 0.673 nan 8.290 nan 0.000 0.540 541 N N 0.316 119.007 118.700 -0.015 0.000 2.514 541 N HA 0.404 5.144 4.740 0.000 0.000 0.277 541 N C 1.339 176.809 175.510 -0.066 0.000 1.126 541 N CA 0.325 53.357 53.050 -0.031 0.000 0.978 541 N CB 1.445 39.937 38.487 0.008 0.000 1.106 541 N HN 0.792 nan 8.380 nan 0.000 0.461 542 A N 1.729 124.495 122.820 -0.090 0.000 1.969 542 A HA -0.014 4.306 4.320 0.000 0.000 0.218 542 A C 0.668 178.207 177.584 -0.075 0.000 1.169 542 A CA 1.405 53.366 52.037 -0.126 0.000 0.635 542 A CB -0.144 18.766 19.000 -0.151 0.000 0.810 542 A HN 0.748 nan 8.150 nan 0.000 0.445 543 S N -2.737 112.949 115.700 -0.023 0.000 2.595 543 S HA 0.518 4.988 4.470 0.000 0.000 0.270 543 S C -0.998 173.596 174.600 -0.009 0.000 1.145 543 S CA -0.226 57.965 58.200 -0.015 0.000 0.825 543 S CB 1.078 64.381 63.200 0.173 0.000 1.107 543 S HN 1.427 nan 8.310 nan 0.000 0.461 544 V N -0.411 119.448 119.914 -0.092 0.000 2.876 544 V HA 0.958 5.078 4.120 0.000 0.000 0.312 544 V C -1.056 174.982 176.094 -0.092 0.000 1.085 544 V CA -0.636 61.633 62.300 -0.051 0.000 0.945 544 V CB 1.643 33.427 31.823 -0.064 0.000 1.017 544 V HN 1.168 nan 8.190 nan 0.000 0.428 545 N N 3.032 121.753 118.700 0.034 0.000 2.455 545 N HA 0.554 5.294 4.740 0.000 0.000 0.285 545 N C -2.574 173.011 175.510 0.125 0.000 1.080 545 N CA -1.814 51.289 53.050 0.088 0.000 0.932 545 N CB 2.808 41.474 38.487 0.298 0.000 1.610 545 N HN 0.295 nan 8.380 nan 0.000 0.493 546 P HA 0.098 nan 4.420 nan 0.000 0.219 546 P C 0.085 177.440 177.300 0.092 0.000 1.146 546 P CA 1.409 64.564 63.100 0.092 0.000 0.808 546 P CB -0.137 31.409 31.700 -0.256 0.000 0.779 547 G N -0.842 108.011 108.800 0.087 0.000 2.730 547 G HA2 -0.092 3.868 3.960 0.000 0.000 0.686 547 G HA3 -0.092 3.868 3.960 0.000 0.000 0.686 547 G C -3.063 171.862 174.900 0.042 0.000 1.343 547 G CA -0.740 44.404 45.100 0.074 0.000 0.826 547 G HN -0.005 nan 8.290 nan 0.000 0.582 548 P HA 0.583 nan 4.420 nan 0.000 0.293 548 P C 0.707 178.006 177.300 -0.002 0.000 1.313 548 P CA 1.151 64.278 63.100 0.045 0.000 0.787 548 P CB 1.206 32.969 31.700 0.106 0.000 0.910 549 G N 3.087 111.898 108.800 0.018 0.000 2.293 549 G HA2 0.103 4.063 3.960 0.000 0.000 0.282 549 G HA3 0.103 4.063 3.960 0.000 0.000 0.282 549 G C -1.496 173.435 174.900 0.052 0.000 1.299 549 G CA -0.590 44.513 45.100 0.005 0.000 1.018 549 G HN 0.895 nan 8.290 nan 0.000 0.478 550 H N -1.123 118.014 119.070 0.111 0.000 2.651 550 H HA 0.851 5.407 4.556 0.000 0.000 0.353 550 H C 0.575 176.004 175.328 0.169 0.000 1.178 550 H CA -0.260 55.867 56.048 0.131 0.000 1.224 550 H CB 1.465 31.355 29.762 0.213 0.000 1.702 550 H HN 1.127 nan 8.280 nan 0.000 0.550 551 G N -0.309 108.704 108.800 0.355 0.000 2.753 551 G HA2 0.578 4.538 3.960 0.000 0.000 0.285 551 G HA3 0.578 4.538 3.960 0.000 0.000 0.285 551 G C -0.664 174.505 174.900 0.448 0.000 1.344 551 G CA -0.794 44.524 45.100 0.363 0.000 1.050 551 G HN 0.977 nan 8.290 nan 0.000 0.532 552 I N -3.710 117.079 120.570 0.365 0.000 3.095 552 I HA 0.707 4.877 4.170 0.000 0.000 0.310 552 I C -1.038 175.217 176.117 0.229 0.000 1.196 552 I CA -0.891 60.599 61.300 0.316 0.000 0.985 552 I CB 2.390 40.556 38.000 0.277 0.000 1.250 552 I HN 0.313 nan 8.210 nan 0.000 0.446 553 T N 4.572 119.231 114.554 0.175 0.000 2.770 553 T HA 0.535 4.885 4.350 0.000 0.000 0.283 553 T C -0.106 174.638 174.700 0.073 0.000 0.988 553 T CA -0.456 61.704 62.100 0.100 0.000 0.957 553 T CB 0.988 69.887 68.868 0.051 0.000 0.930 553 T HN 0.345 nan 8.240 nan 0.000 0.443 554 L N 3.384 124.637 121.223 0.048 0.000 2.426 554 L HA 0.365 4.705 4.340 0.000 0.000 0.271 554 L C 1.475 178.346 176.870 0.002 0.000 1.169 554 L CA -0.204 54.650 54.840 0.023 0.000 0.836 554 L CB 0.554 42.616 42.059 0.004 0.000 1.112 554 L HN 0.842 nan 8.230 nan 0.000 0.465 555 T N -2.142 112.408 114.554 -0.006 0.000 3.130 555 T HA 0.208 4.558 4.350 0.000 0.000 0.288 555 T C 0.796 175.480 174.700 -0.027 0.000 0.936 555 T CA -0.471 61.619 62.100 -0.017 0.000 0.897 555 T CB 0.188 69.047 68.868 -0.014 0.000 1.178 555 T HN 0.579 nan 8.240 nan 0.000 0.543 556 R N 1.031 121.513 120.500 -0.030 0.000 2.776 556 R HA 0.332 4.672 4.340 0.000 0.000 0.391 556 R C 0.485 176.764 176.300 -0.035 0.000 1.116 556 R CA -0.289 55.790 56.100 -0.035 0.000 1.056 556 R CB 0.436 30.710 30.300 -0.044 0.000 1.369 556 R HN 0.135 nan 8.270 nan 0.000 0.590 557 Q N 0.837 120.614 119.800 -0.037 0.000 2.280 557 Q HA -0.033 4.307 4.340 0.000 0.000 0.201 557 Q C 1.587 177.561 176.000 -0.044 0.000 0.890 557 Q CA 0.207 55.983 55.803 -0.046 0.000 0.947 557 Q CB 0.679 29.386 28.738 -0.052 0.000 1.081 557 Q HN 0.448 nan 8.270 nan 0.000 0.502 558 Q N 0.134 119.912 119.800 -0.037 0.000 2.197 558 Q HA -0.174 4.166 4.340 0.000 0.000 0.207 558 Q C 0.224 176.202 176.000 -0.036 0.000 0.984 558 Q CA 1.429 57.211 55.803 -0.034 0.000 0.869 558 Q CB -0.412 28.310 28.738 -0.028 0.000 0.906 558 Q HN 0.228 nan 8.270 nan 0.000 0.426 559 N N 0.063 118.742 118.700 -0.036 0.000 2.321 559 N HA 0.233 4.973 4.740 0.000 0.000 0.242 559 N C -0.916 174.566 175.510 -0.046 0.000 1.141 559 N CA -0.010 53.018 53.050 -0.037 0.000 0.864 559 N CB 0.718 39.188 38.487 -0.029 0.000 1.100 559 N HN 0.157 nan 8.380 nan 0.000 0.510 560 I N 0.535 121.072 120.570 -0.056 0.000 2.359 560 I HA 0.192 4.362 4.170 0.000 0.000 0.284 560 I C 0.434 176.500 176.117 -0.084 0.000 1.018 560 I CA -0.619 60.637 61.300 -0.073 0.000 1.173 560 I CB 0.864 38.815 38.000 -0.082 0.000 1.326 560 I HN -0.053 nan 8.210 nan 0.000 0.462 561 S N 4.439 120.084 115.700 -0.093 0.000 2.525 561 S HA 0.342 4.812 4.470 0.000 0.000 0.285 561 S C 1.321 175.845 174.600 -0.126 0.000 1.283 561 S CA 1.055 59.193 58.200 -0.104 0.000 1.072 561 S CB 0.200 63.331 63.200 -0.116 0.000 0.867 561 S HN 1.103 nan 8.310 nan 0.000 0.492 562 G N 3.005 111.743 108.800 -0.102 0.000 2.225 562 G HA2 -0.247 3.713 3.960 0.000 0.000 0.254 562 G HA3 -0.247 3.713 3.960 0.000 0.000 0.254 562 G C 0.358 175.203 174.900 -0.090 0.000 0.988 562 G CA 0.444 45.486 45.100 -0.096 0.000 0.625 562 G HN 1.056 nan 8.290 nan 0.000 0.527 563 S N -0.321 115.320 115.700 -0.099 0.000 2.768 563 S HA 0.820 5.290 4.470 0.000 0.000 0.300 563 S C -0.181 174.376 174.600 -0.071 0.000 1.122 563 S CA 0.679 58.816 58.200 -0.104 0.000 0.995 563 S CB 1.359 64.485 63.200 -0.124 0.000 1.195 563 S HN 1.307 nan 8.310 nan 0.000 0.547 564 Q N 0.775 120.536 119.800 -0.065 0.000 2.527 564 Q HA 0.455 4.795 4.340 0.000 0.000 0.280 564 Q C -1.766 174.208 176.000 -0.044 0.000 0.977 564 Q CA -1.074 54.700 55.803 -0.048 0.000 0.837 564 Q CB 0.453 29.168 28.738 -0.039 0.000 1.454 564 Q HN 0.483 nan 8.270 nan 0.000 0.387 565 N N 0.089 118.766 118.700 -0.038 0.000 2.518 565 N HA 0.388 5.128 4.740 0.000 0.000 0.266 565 N C 0.774 176.263 175.510 -0.035 0.000 1.196 565 N CA 1.675 54.705 53.050 -0.034 0.000 0.947 565 N CB 1.268 39.737 38.487 -0.031 0.000 1.098 565 N HN 1.010 nan 8.380 nan 0.000 0.450 566 G N 0.853 109.634 108.800 -0.031 0.000 2.213 566 G HA2 -0.275 3.685 3.960 0.000 0.000 0.226 566 G HA3 -0.275 3.685 3.960 0.000 0.000 0.226 566 G C 0.326 175.201 174.900 -0.041 0.000 0.992 566 G CA 0.014 45.090 45.100 -0.041 0.000 0.632 566 G HN 0.689 nan 8.290 nan 0.000 0.511 567 R N 0.976 121.460 120.500 -0.026 0.000 2.538 567 R HA 0.417 4.757 4.340 0.000 0.000 0.282 567 R C 0.187 176.500 176.300 0.021 0.000 1.009 567 R CA -0.083 56.011 56.100 -0.010 0.000 1.063 567 R CB -0.006 30.293 30.300 -0.003 0.000 0.945 567 R HN 0.288 nan 8.270 nan 0.000 0.414 568 L N 6.802 128.028 121.223 0.005 0.000 2.289 568 L HA 0.536 4.876 4.340 0.000 0.000 0.285 568 L C 0.122 177.131 176.870 0.231 0.000 1.049 568 L CA -0.594 54.303 54.840 0.095 0.000 0.804 568 L CB 1.224 43.292 42.059 0.016 0.000 1.195 568 L HN 0.690 nan 8.230 nan 0.000 0.428 569 I N 3.494 124.253 120.570 0.316 0.000 2.841 569 I HA 0.474 4.644 4.170 0.000 0.000 0.298 569 I C -1.697 174.656 176.117 0.393 0.000 1.304 569 I CA -0.506 60.992 61.300 0.329 0.000 1.019 569 I CB 2.420 40.554 38.000 0.222 0.000 1.282 569 I HN 0.602 nan 8.210 nan 0.000 0.432 570 Y N 4.714 125.172 120.300 0.262 0.000 2.571 570 Y HA 0.761 5.311 4.550 0.000 0.000 0.341 570 Y C -2.994 172.991 175.900 0.142 0.000 1.076 570 Y CA -2.691 55.513 58.100 0.173 0.000 1.029 570 Y CB 1.297 39.829 38.460 0.120 0.000 1.308 570 Y HN 0.226 nan 8.280 nan 0.000 0.461 571 P HA 0.390 nan 4.420 nan 0.000 0.284 571 P C -0.637 176.739 177.300 0.127 0.000 1.432 571 P CA 0.244 63.395 63.100 0.084 0.000 0.929 571 P CB 0.916 32.599 31.700 -0.028 0.000 1.158 572 A N 5.039 127.924 122.820 0.109 0.000 2.271 572 A HA 0.593 4.913 4.320 0.000 0.000 0.288 572 A C 0.180 177.800 177.584 0.060 0.000 1.094 572 A CA -0.791 51.332 52.037 0.143 0.000 0.828 572 A CB 0.290 19.369 19.000 0.131 0.000 1.091 572 A HN 0.504 nan 8.150 nan 0.000 0.493 573 I N 0.985 121.604 120.570 0.083 0.000 2.354 573 I HA 0.422 4.592 4.170 0.000 0.000 0.292 573 I C -0.464 175.702 176.117 0.081 0.000 0.989 573 I CA -0.554 60.788 61.300 0.070 0.000 1.188 573 I CB 1.548 39.607 38.000 0.099 0.000 1.342 573 I HN 0.345 nan 8.210 nan 0.000 0.457 574 V N 8.109 128.062 119.914 0.065 0.000 2.540 574 V HA 0.531 4.651 4.120 0.000 0.000 0.302 574 V C -1.215 174.926 176.094 0.079 0.000 1.035 574 V CA -0.696 61.645 62.300 0.067 0.000 0.873 574 V CB 2.067 33.923 31.823 0.055 0.000 0.992 574 V HN 0.552 nan 8.190 nan 0.000 0.428 575 L N 6.612 127.878 121.223 0.072 0.000 2.294 575 L HA 0.591 4.931 4.340 0.000 0.000 0.283 575 L C 0.800 177.675 176.870 0.009 0.000 1.015 575 L CA 0.069 54.941 54.840 0.055 0.000 0.831 575 L CB 1.464 43.554 42.059 0.052 0.000 1.217 575 L HN 0.838 nan 8.230 nan 0.000 0.420 576 D N 3.463 123.871 120.400 0.013 0.000 2.085 576 D HA -0.119 4.521 4.640 0.000 0.000 0.199 576 D C 1.491 177.708 176.300 -0.138 0.000 0.981 576 D CA 1.378 55.358 54.000 -0.033 0.000 0.834 576 D CB 0.156 40.960 40.800 0.006 0.000 0.992 576 D HN 0.618 nan 8.370 nan 0.000 0.457 577 R N -2.585 117.780 120.500 -0.225 0.000 4.109 577 R HA 0.163 4.503 4.340 0.000 0.000 0.101 577 R C 0.866 176.798 176.300 -0.615 0.000 0.690 577 R CA -0.085 55.722 56.100 -0.487 0.000 1.473 577 R CB -0.061 29.824 30.300 -0.691 0.000 1.608 577 R HN 0.114 nan 8.270 nan 0.000 0.431 578 F N -0.306 119.411 119.950 -0.389 0.000 2.712 578 F HA 0.446 4.973 4.527 0.000 0.000 0.297 578 F C -0.156 175.184 175.800 -0.767 0.000 1.114 578 F CA -0.223 57.363 58.000 -0.690 0.000 1.305 578 F CB 0.626 38.953 39.000 -1.122 0.000 1.086 578 F HN -0.164 nan 8.300 nan 0.000 0.599 579 F N 0.981 121.012 119.950 0.134 0.000 2.495 579 F HA 0.564 5.091 4.527 0.000 0.000 0.327 579 F C -0.157 175.689 175.800 0.076 0.000 1.103 579 F CA -1.549 56.502 58.000 0.087 0.000 0.949 579 F CB 0.944 39.998 39.000 0.091 0.000 1.142 579 F HN -0.388 nan 8.300 nan 0.000 0.457 580 L N 2.836 124.225 121.223 0.277 0.000 2.357 580 L HA 0.519 4.859 4.340 0.000 0.000 0.273 580 L C -0.064 176.893 176.870 0.146 0.000 1.080 580 L CA -0.447 54.506 54.840 0.188 0.000 0.803 580 L CB 1.229 43.404 42.059 0.194 0.000 1.174 580 L HN 0.646 nan 8.230 nan 0.000 0.443 581 N N 0.222 118.973 118.700 0.084 0.000 3.020 581 N HA 0.526 5.266 4.740 0.000 0.000 0.248 581 N C -1.749 173.739 175.510 -0.036 0.000 1.480 581 N CA -0.378 52.679 53.050 0.011 0.000 0.874 581 N CB 2.268 40.766 38.487 0.019 0.000 1.433 581 N HN 0.173 nan 8.380 nan 0.000 0.530 582 V N 1.689 121.522 119.914 -0.135 0.000 2.628 582 V HA 0.704 4.824 4.120 0.000 0.000 0.306 582 V C -0.015 175.975 176.094 -0.172 0.000 1.045 582 V CA -0.588 61.610 62.300 -0.171 0.000 0.905 582 V CB 1.453 33.095 31.823 -0.301 0.000 0.997 582 V HN 0.760 nan 8.190 nan 0.000 0.436 583 M N 1.747 121.295 119.600 -0.088 0.000 2.520 583 M HA 0.682 5.162 4.480 0.000 0.000 0.283 583 M C -0.851 175.476 176.300 0.046 0.000 1.237 583 M CA -0.441 54.858 55.300 -0.002 0.000 0.885 583 M CB 2.300 34.923 32.600 0.038 0.000 1.727 583 M HN 0.338 nan 8.290 nan 0.000 0.468 584 S N 2.173 117.980 115.700 0.179 0.000 2.565 584 S HA 0.627 5.097 4.470 0.000 0.000 0.276 584 S C -0.382 174.290 174.600 0.120 0.000 1.326 584 S CA -0.505 57.807 58.200 0.187 0.000 1.045 584 S CB 0.388 63.780 63.200 0.319 0.000 0.918 584 S HN 0.544 nan 8.310 nan 0.000 0.505 585 I N 3.658 124.170 120.570 -0.097 0.000 2.436 585 I HA 0.466 4.636 4.170 0.000 0.000 0.289 585 I C -1.041 175.097 176.117 0.035 0.000 1.010 585 I CA -0.777 60.414 61.300 -0.181 0.000 1.098 585 I CB 1.348 38.961 38.000 -0.644 0.000 1.266 585 I HN 0.746 nan 8.210 nan 0.000 0.434 586 Y N 3.595 123.979 120.300 0.140 0.000 2.655 586 Y HA 0.766 5.316 4.550 0.000 0.000 0.336 586 Y C -0.940 174.921 175.900 -0.065 0.000 1.154 586 Y CA -1.425 56.753 58.100 0.130 0.000 1.055 586 Y CB 1.621 40.095 38.460 0.024 0.000 1.295 586 Y HN 0.354 nan 8.280 nan 0.000 0.465 587 S N 0.387 115.889 115.700 -0.331 0.000 2.571 587 S HA 0.390 4.860 4.470 0.000 0.000 0.284 587 S C -1.213 173.207 174.600 -0.299 0.000 1.128 587 S CA -0.629 57.161 58.200 -0.683 0.000 0.970 587 S CB 1.022 63.286 63.200 -1.561 0.000 1.039 587 S HN 0.744 nan 8.310 nan 0.000 0.485 588 D N 2.402 122.683 120.400 -0.199 0.000 2.368 588 D HA 0.155 4.795 4.640 0.000 0.000 0.218 588 D C 0.110 176.326 176.300 -0.141 0.000 1.112 588 D CA 0.250 54.192 54.000 -0.097 0.000 0.834 588 D CB 0.497 41.294 40.800 -0.005 0.000 0.953 588 D HN 0.740 nan 8.370 nan 0.000 0.505 589 D N -1.308 118.959 120.400 -0.222 0.000 2.720 589 D HA 0.205 4.845 4.640 0.000 0.000 0.285 589 D C 1.249 177.428 176.300 -0.201 0.000 1.359 589 D CA -0.496 53.396 54.000 -0.180 0.000 0.818 589 D CB -0.002 40.705 40.800 -0.155 0.000 1.108 589 D HN 0.051 nan 8.370 nan 0.000 0.474 590 G N -0.403 108.258 108.800 -0.231 0.000 2.159 590 G HA2 -0.069 3.891 3.960 0.000 0.000 0.256 590 G HA3 -0.069 3.891 3.960 0.000 0.000 0.256 590 G C 1.125 175.861 174.900 -0.272 0.000 0.977 590 G CA 0.362 45.337 45.100 -0.207 0.000 0.652 590 G HN 1.503 nan 8.290 nan 0.000 0.531 591 G N -1.542 106.963 108.800 -0.491 0.000 2.168 591 G HA2 0.040 4.000 3.960 0.000 0.000 0.197 591 G HA3 0.040 4.000 3.960 0.000 0.000 0.197 591 G C 1.050 175.737 174.900 -0.355 0.000 0.997 591 G CA 1.537 46.283 45.100 -0.590 0.000 0.658 591 G HN 1.769 nan 8.290 nan 0.000 0.513 592 S N -0.378 115.166 115.700 -0.260 0.000 2.404 592 S HA 0.196 4.666 4.470 0.000 0.000 0.223 592 S C 0.845 175.442 174.600 -0.005 0.000 1.040 592 S CA 0.943 59.135 58.200 -0.013 0.000 0.957 592 S CB -0.044 63.147 63.200 -0.015 0.000 0.826 592 S HN 0.460 nan 8.310 nan 0.000 0.491 593 N N 0.511 119.075 118.700 -0.227 0.000 2.354 593 N HA 0.307 5.047 4.740 0.000 0.000 0.287 593 N C -1.865 173.411 175.510 -0.390 0.000 1.016 593 N CA -0.306 52.651 53.050 -0.155 0.000 0.871 593 N CB 1.353 39.771 38.487 -0.116 0.000 1.299 593 N HN 0.268 nan 8.380 nan 0.000 0.482 594 W N 0.880 122.104 121.300 -0.126 0.000 2.639 594 W HA 0.474 5.134 4.660 0.000 0.000 0.347 594 W C 0.265 176.613 176.519 -0.285 0.000 1.067 594 W CA -0.447 56.770 57.345 -0.212 0.000 1.218 594 W CB 1.206 30.579 29.460 -0.146 0.000 1.393 594 W HN 0.203 nan 8.180 nan 0.000 0.557 595 Q N 0.290 119.919 119.800 -0.285 0.000 2.544 595 Q HA 0.642 4.982 4.340 0.000 0.000 0.291 595 Q C -0.663 175.148 176.000 -0.316 0.000 1.068 595 Q CA -1.109 54.467 55.803 -0.378 0.000 0.785 595 Q CB 2.606 30.958 28.738 -0.643 0.000 1.481 595 Q HN 0.472 nan 8.270 nan 0.000 0.430 596 T N -2.304 112.211 114.554 -0.064 0.000 2.912 596 T HA 0.796 5.147 4.350 0.000 0.000 0.288 596 T C 0.111 174.957 174.700 0.244 0.000 1.030 596 T CA -0.559 61.597 62.100 0.092 0.000 1.020 596 T CB 1.637 70.546 68.868 0.068 0.000 1.056 596 T HN 0.653 nan 8.240 nan 0.000 0.480 597 G N 0.599 109.566 108.800 0.277 0.000 2.642 597 G HA2 0.572 4.532 3.960 0.000 0.000 0.291 597 G HA3 0.572 4.532 3.960 0.000 0.000 0.291 597 G C -0.480 174.494 174.900 0.123 0.000 1.345 597 G CA -0.944 44.295 45.100 0.232 0.000 1.043 597 G HN 0.828 nan 8.290 nan 0.000 0.528 598 S N -0.332 115.405 115.700 0.063 0.000 2.601 598 S HA 0.457 4.927 4.470 0.000 0.000 0.271 598 S C 0.838 175.475 174.600 0.061 0.000 1.305 598 S CA -0.424 57.759 58.200 -0.029 0.000 1.022 598 S CB 1.096 64.166 63.200 -0.216 0.000 0.940 598 S HN 0.904 nan 8.310 nan 0.000 0.525 599 T N 0.666 115.227 114.554 0.011 0.000 2.813 599 T HA 0.382 4.732 4.350 0.000 0.000 0.297 599 T C 0.326 175.006 174.700 -0.033 0.000 1.036 599 T CA -0.807 61.287 62.100 -0.010 0.000 1.044 599 T CB -0.134 68.738 68.868 0.007 0.000 0.993 599 T HN 0.394 nan 8.240 nan 0.000 0.535 600 L N 2.617 123.734 121.223 -0.178 0.000 2.485 600 L HA 0.274 4.614 4.340 0.000 0.000 0.275 600 L C -1.682 175.141 176.870 -0.078 0.000 1.207 600 L CA -1.811 52.875 54.840 -0.258 0.000 0.855 600 L CB -0.184 41.407 42.059 -0.781 0.000 1.114 600 L HN 0.539 nan 8.230 nan 0.000 0.485 601 P HA 0.265 nan 4.420 nan 0.000 0.282 601 P C -0.944 176.403 177.300 0.079 0.000 1.274 601 P CA -0.055 63.075 63.100 0.049 0.000 0.770 601 P CB 0.797 32.551 31.700 0.090 0.000 0.867 602 I N 1.724 122.269 120.570 -0.040 0.000 2.730 602 I HA 0.640 4.810 4.170 0.000 0.000 0.298 602 I C -2.539 173.506 176.117 -0.121 0.000 1.089 602 I CA -3.149 58.105 61.300 -0.077 0.000 1.041 602 I CB 2.329 40.272 38.000 -0.095 0.000 1.235 602 I HN 0.106 nan 8.210 nan 0.000 0.423 603 P HA 0.377 nan 4.420 nan 0.000 0.274 603 P C -1.234 176.030 177.300 -0.061 0.000 1.237 603 P CA 0.172 63.204 63.100 -0.113 0.000 0.793 603 P CB 0.884 32.507 31.700 -0.129 0.000 0.977 604 F N -1.350 118.454 119.950 -0.243 0.000 2.645 604 F HA 0.780 5.307 4.527 0.000 0.000 0.310 604 F C -1.173 174.490 175.800 -0.227 0.000 1.102 604 F CA -1.170 56.657 58.000 -0.288 0.000 0.952 604 F CB 1.924 40.710 39.000 -0.356 0.000 1.326 604 F HN 0.304 nan 8.300 nan 0.000 0.456 605 R N 2.036 122.338 120.500 -0.330 0.000 2.604 605 R HA 0.284 4.624 4.340 0.000 0.000 0.270 605 R C -2.624 173.551 176.300 -0.207 0.000 1.052 605 R CA -0.557 55.355 56.100 -0.312 0.000 0.902 605 R CB 1.690 31.875 30.300 -0.191 0.000 1.233 605 R HN 0.974 nan 8.270 nan 0.000 0.455 606 W N 4.773 126.099 121.300 0.043 0.000 2.314 606 W HA 0.367 5.027 4.660 0.000 0.000 0.310 606 W C 1.323 177.863 176.519 0.035 0.000 1.075 606 W CA -0.523 56.871 57.345 0.082 0.000 1.253 606 W CB 1.380 30.911 29.460 0.117 0.000 1.238 606 W HN 0.329 nan 8.180 nan 0.000 0.440 607 K N 2.209 122.740 120.400 0.218 0.000 2.574 607 K HA -0.029 4.291 4.320 0.000 0.000 0.193 607 K C 0.213 176.901 176.600 0.148 0.000 1.035 607 K CA 0.890 57.258 56.287 0.135 0.000 0.982 607 K CB 0.018 32.572 32.500 0.091 0.000 0.795 607 K HN 0.490 nan 8.250 nan 0.000 0.491 608 S N -2.132 113.698 115.700 0.217 0.000 2.615 608 S HA 0.008 4.478 4.470 0.000 0.000 0.272 608 S C -1.029 173.661 174.600 0.151 0.000 1.112 608 S CA -0.339 57.949 58.200 0.147 0.000 0.985 608 S CB -0.060 63.201 63.200 0.102 0.000 1.205 608 S HN 0.053 nan 8.310 nan 0.000 0.469 609 S N 1.551 117.275 115.700 0.041 0.000 3.033 609 S HA 0.324 4.794 4.470 0.000 0.000 0.258 609 S C 0.874 175.454 174.600 -0.033 0.000 1.207 609 S CA 0.503 58.660 58.200 -0.072 0.000 1.248 609 S CB -0.934 62.220 63.200 -0.076 0.000 0.932 609 S HN 1.090 nan 8.310 nan 0.000 0.472 610 S N -0.541 115.239 115.700 0.134 0.000 2.842 610 S HA 0.214 4.684 4.470 0.000 0.000 0.240 610 S C -0.036 174.804 174.600 0.401 0.000 0.987 610 S CA -0.454 57.871 58.200 0.208 0.000 1.166 610 S CB -0.247 63.023 63.200 0.117 0.000 0.942 610 S HN 0.336 nan 8.310 nan 0.000 0.403 611 I N 3.938 124.730 120.570 0.370 0.000 2.297 611 I HA 0.472 4.642 4.170 0.000 0.000 0.291 611 I C -0.803 175.419 176.117 0.175 0.000 1.033 611 I CA -0.755 60.699 61.300 0.257 0.000 1.253 611 I CB 1.450 39.531 38.000 0.135 0.000 1.396 611 I HN 0.223 nan 8.210 nan 0.000 0.476 612 L N 7.352 128.549 121.223 -0.043 0.000 2.319 612 L HA 0.324 4.664 4.340 0.000 0.000 0.280 612 L C -0.005 176.692 176.870 -0.289 0.000 1.099 612 L CA 0.356 54.889 54.840 -0.512 0.000 0.828 612 L CB 0.775 42.386 42.059 -0.747 0.000 1.150 612 L HN 0.614 nan 8.230 nan 0.000 0.442 613 E N 3.859 123.885 120.200 -0.290 0.000 2.182 613 E HA 0.485 4.835 4.350 0.000 0.000 0.258 613 E C -1.113 175.372 176.600 -0.191 0.000 0.879 613 E CA -0.308 55.991 56.400 -0.169 0.000 0.754 613 E CB 1.157 30.798 29.700 -0.097 0.000 1.162 613 E HN 0.770 nan 8.360 nan 0.000 0.419 614 T N 2.869 117.311 114.554 -0.186 0.000 2.671 614 T HA 0.493 4.843 4.350 0.000 0.000 0.300 614 T C -1.291 173.330 174.700 -0.131 0.000 1.238 614 T CA -0.549 61.440 62.100 -0.184 0.000 1.020 614 T CB 0.751 69.453 68.868 -0.276 0.000 1.503 614 T HN 0.400 nan 8.240 nan 0.000 0.497 615 L N 1.211 122.354 121.223 -0.134 0.000 2.332 615 L HA 0.663 5.003 4.340 0.000 0.000 0.269 615 L C -0.102 176.768 176.870 0.000 0.000 1.016 615 L CA -0.739 54.058 54.840 -0.071 0.000 0.809 615 L CB 1.446 43.420 42.059 -0.140 0.000 1.280 615 L HN 0.682 nan 8.230 nan 0.000 0.447 616 E N 1.610 121.857 120.200 0.078 0.000 3.132 616 E HA 0.269 4.619 4.350 0.000 0.000 0.241 616 E C -2.500 174.157 176.600 0.095 0.000 1.196 616 E CA -1.709 54.778 56.400 0.146 0.000 0.869 616 E CB 1.475 31.375 29.700 0.332 0.000 1.387 616 E HN 0.265 nan 8.360 nan 0.000 0.393 617 P HA -0.037 nan 4.420 nan 0.000 0.268 617 P C 0.122 177.413 177.300 -0.015 0.000 1.205 617 P CA 0.401 63.489 63.100 -0.022 0.000 0.771 617 P CB 1.231 32.855 31.700 -0.128 0.000 0.858 618 S N 1.374 117.059 115.700 -0.025 0.000 3.830 618 S HA 0.183 4.653 4.470 0.000 0.000 0.172 618 S C -0.211 174.369 174.600 -0.034 0.000 0.966 618 S CA -0.533 57.661 58.200 -0.009 0.000 1.124 618 S CB -0.459 62.748 63.200 0.011 0.000 1.697 618 S HN 0.334 nan 8.310 nan 0.000 0.872 619 E N 2.190 122.360 120.200 -0.049 0.000 2.292 619 E HA 0.564 4.914 4.350 0.000 0.000 0.265 619 E C -0.379 176.165 176.600 -0.093 0.000 1.093 619 E CA -0.046 56.311 56.400 -0.073 0.000 0.922 619 E CB 0.644 30.266 29.700 -0.130 0.000 1.001 619 E HN 0.630 nan 8.360 nan 0.000 0.444 620 A N 4.052 126.825 122.820 -0.079 0.000 2.430 620 A HA 0.644 4.965 4.320 0.000 0.000 0.300 620 A C -1.142 176.402 177.584 -0.067 0.000 1.124 620 A CA -0.856 51.130 52.037 -0.085 0.000 0.766 620 A CB 1.590 20.510 19.000 -0.133 0.000 1.328 620 A HN 0.571 nan 8.150 nan 0.000 0.424 621 D N -0.141 120.229 120.400 -0.050 0.000 2.753 621 D HA 0.598 5.238 4.640 0.000 0.000 0.224 621 D C -0.483 175.835 176.300 0.031 0.000 1.213 621 D CA -0.242 53.735 54.000 -0.038 0.000 0.833 621 D CB 1.796 42.549 40.800 -0.079 0.000 1.607 621 D HN 0.774 nan 8.370 nan 0.000 0.463 622 M N -0.019 119.625 119.600 0.073 0.000 2.619 622 M HA 0.863 5.343 4.480 0.000 0.000 0.297 622 M C -1.740 174.679 176.300 0.197 0.000 1.229 622 M CA -1.019 54.380 55.300 0.165 0.000 0.860 622 M CB 2.430 35.167 32.600 0.229 0.000 1.741 622 M HN 0.251 nan 8.290 nan 0.000 0.462 623 V N 0.442 120.493 119.914 0.229 0.000 2.971 623 V HA 0.492 4.612 4.120 0.000 0.000 0.309 623 V C -1.575 174.627 176.094 0.180 0.000 1.130 623 V CA -0.340 62.085 62.300 0.209 0.000 0.964 623 V CB 2.407 34.363 31.823 0.221 0.000 1.029 623 V HN 1.050 nan 8.190 nan 0.000 0.427 624 E N 5.000 125.277 120.200 0.128 0.000 2.167 624 E HA 0.475 4.825 4.350 0.000 0.000 0.284 624 E C -0.796 175.830 176.600 0.044 0.000 1.016 624 E CA -0.508 55.940 56.400 0.081 0.000 0.817 624 E CB 1.118 30.848 29.700 0.050 0.000 1.080 624 E HN 0.673 nan 8.360 nan 0.000 0.397 625 L N 3.313 124.563 121.223 0.046 0.000 2.479 625 L HA 0.061 4.401 4.340 0.000 0.000 0.248 625 L C 1.608 178.456 176.870 -0.036 0.000 1.205 625 L CA -0.376 54.480 54.840 0.027 0.000 0.817 625 L CB 0.298 42.393 42.059 0.060 0.000 1.162 625 L HN 0.640 nan 8.230 nan 0.000 0.486 626 Q N 1.522 121.289 119.800 -0.055 0.000 2.181 626 Q HA -0.203 4.137 4.340 0.000 0.000 0.205 626 Q C 1.371 177.352 176.000 -0.032 0.000 0.980 626 Q CA 2.007 57.753 55.803 -0.096 0.000 0.862 626 Q CB -0.137 28.602 28.738 0.003 0.000 0.905 626 Q HN 0.714 nan 8.270 nan 0.000 0.429 627 N N -1.228 117.471 118.700 -0.001 0.000 2.314 627 N HA 0.109 4.849 4.740 0.000 0.000 0.200 627 N C 0.816 176.318 175.510 -0.014 0.000 1.135 627 N CA 0.860 53.909 53.050 -0.002 0.000 0.835 627 N CB 0.336 38.830 38.487 0.010 0.000 0.989 627 N HN 0.336 nan 8.380 nan 0.000 0.478 628 G N -0.453 108.335 108.800 -0.020 0.000 2.217 628 G HA2 -0.248 3.712 3.960 0.000 0.000 0.246 628 G HA3 -0.248 3.712 3.960 0.000 0.000 0.246 628 G C -0.449 174.434 174.900 -0.028 0.000 0.990 628 G CA 0.157 45.241 45.100 -0.028 0.000 0.627 628 G HN 0.463 nan 8.290 nan 0.000 0.522 629 D N 0.626 121.018 120.400 -0.013 0.000 2.362 629 D HA 0.497 5.137 4.640 0.000 0.000 0.242 629 D C 0.913 177.227 176.300 0.022 0.000 1.132 629 D CA 0.232 54.225 54.000 -0.013 0.000 0.907 629 D CB 0.872 41.679 40.800 0.013 0.000 1.195 629 D HN 0.337 nan 8.370 nan 0.000 0.429 630 L N 1.664 122.898 121.223 0.018 0.000 2.307 630 L HA 0.372 4.712 4.340 0.000 0.000 0.284 630 L C -0.370 176.684 176.870 0.307 0.000 1.023 630 L CA -1.072 53.850 54.840 0.137 0.000 0.810 630 L CB 1.369 43.492 42.059 0.106 0.000 1.231 630 L HN 0.086 nan 8.230 nan 0.000 0.423 631 L N 4.983 126.396 121.223 0.318 0.000 2.296 631 L HA 0.542 4.882 4.340 0.000 0.000 0.286 631 L C -0.958 176.124 176.870 0.354 0.000 1.023 631 L CA -0.153 54.893 54.840 0.344 0.000 0.812 631 L CB 1.386 43.608 42.059 0.271 0.000 1.223 631 L HN 0.451 nan 8.230 nan 0.000 0.421 632 L N 5.185 126.608 121.223 0.334 0.000 2.365 632 L HA 0.676 5.016 4.340 0.000 0.000 0.273 632 L C -0.852 176.119 176.870 0.168 0.000 1.000 632 L CA -0.172 54.747 54.840 0.132 0.000 0.819 632 L CB 1.976 43.854 42.059 -0.301 0.000 1.284 632 L HN 0.847 nan 8.230 nan 0.000 0.418 633 T N 1.880 116.511 114.554 0.127 0.000 2.792 633 T HA 0.864 5.214 4.350 0.000 0.000 0.280 633 T C -0.451 174.293 174.700 0.072 0.000 0.990 633 T CA -0.556 61.631 62.100 0.145 0.000 0.960 633 T CB 1.674 70.649 68.868 0.178 0.000 0.939 633 T HN 0.882 nan 8.240 nan 0.000 0.439 634 A N 3.346 126.225 122.820 0.098 0.000 2.386 634 A HA 0.786 5.106 4.320 0.000 0.000 0.311 634 A C 0.074 177.673 177.584 0.025 0.000 1.068 634 A CA -1.174 50.878 52.037 0.025 0.000 0.743 634 A CB 1.371 20.358 19.000 -0.021 0.000 1.258 634 A HN 1.032 nan 8.150 nan 0.000 0.429 635 R N 2.037 122.517 120.500 -0.033 0.000 2.438 635 R HA 0.451 4.791 4.340 0.000 0.000 0.287 635 R C -1.328 174.959 176.300 -0.022 0.000 1.077 635 R CA -0.148 55.923 56.100 -0.048 0.000 1.034 635 R CB 0.211 30.450 30.300 -0.101 0.000 0.993 635 R HN 0.661 nan 8.270 nan 0.000 0.459 636 L N 4.898 126.115 121.223 -0.010 0.000 2.276 636 L HA 0.323 4.664 4.340 0.000 0.000 0.286 636 L C -0.446 176.404 176.870 -0.034 0.000 1.024 636 L CA -0.742 54.103 54.840 0.008 0.000 0.826 636 L CB 1.505 43.591 42.059 0.045 0.000 1.211 636 L HN 0.633 nan 8.230 nan 0.000 0.422 637 D N 2.375 122.740 120.400 -0.058 0.000 2.332 637 D HA 0.497 5.137 4.640 0.000 0.000 0.252 637 D C 0.444 176.693 176.300 -0.085 0.000 1.050 637 D CA -0.039 53.821 54.000 -0.233 0.000 0.970 637 D CB 1.499 42.017 40.800 -0.471 0.000 1.141 637 D HN 0.160 nan 8.370 nan 0.000 0.485 638 F N -0.815 119.157 119.950 0.037 0.000 2.184 638 F HA -0.353 4.174 4.527 0.000 0.000 0.318 638 F C 0.941 176.762 175.800 0.036 0.000 0.994 638 F CA 0.415 58.440 58.000 0.041 0.000 0.913 638 F CB -1.573 37.463 39.000 0.060 0.000 4.133 638 F HN 0.355 nan 8.300 nan 0.000 0.138 639 N N 1.694 120.558 118.700 0.274 0.000 2.447 639 N HA 0.209 4.949 4.740 0.000 0.000 0.263 639 N C 0.036 175.606 175.510 0.100 0.000 1.226 639 N CA 0.550 53.684 53.050 0.139 0.000 0.906 639 N CB 0.639 39.182 38.487 0.092 0.000 1.060 639 N HN 0.447 nan 8.380 nan 0.000 0.468 640 Q N 2.264 122.119 119.800 0.091 0.000 2.189 640 Q HA 0.331 4.671 4.340 0.000 0.000 0.223 640 Q C -0.409 175.691 176.000 0.168 0.000 0.828 640 Q CA 0.078 55.947 55.803 0.110 0.000 0.967 640 Q CB 0.836 29.631 28.738 0.095 0.000 1.139 640 Q HN 0.584 nan 8.270 nan 0.000 0.497 641 I N 1.220 121.864 120.570 0.123 0.000 2.406 641 I HA 0.365 4.535 4.170 0.000 0.000 0.290 641 I C -0.846 175.336 176.117 0.109 0.000 0.999 641 I CA -1.034 60.345 61.300 0.131 0.000 1.124 641 I CB 1.997 40.037 38.000 0.066 0.000 1.289 641 I HN -0.257 nan 8.210 nan 0.000 0.441 642 V N 5.386 125.400 119.914 0.167 0.000 2.525 642 V HA 0.313 4.433 4.120 0.000 0.000 0.299 642 V C 0.193 176.332 176.094 0.074 0.000 1.034 642 V CA -0.730 61.623 62.300 0.087 0.000 0.863 642 V CB 1.540 33.392 31.823 0.048 0.000 0.999 642 V HN 0.920 nan 8.190 nan 0.000 0.423 643 N N 3.830 122.534 118.700 0.007 0.000 2.727 643 N HA -0.201 4.539 4.740 0.000 0.000 0.249 643 N C 1.071 176.577 175.510 -0.005 0.000 1.048 643 N CA 1.852 54.896 53.050 -0.011 0.000 0.714 643 N CB -0.960 37.506 38.487 -0.034 0.000 0.959 643 N HN 1.754 nan 8.380 nan 0.000 0.544 644 G N -2.784 106.016 108.800 0.000 0.000 2.205 644 G HA2 -0.285 3.675 3.960 0.000 0.000 0.261 644 G HA3 -0.285 3.675 3.960 0.000 0.000 0.261 644 G C 0.055 174.932 174.900 -0.039 0.000 0.980 644 G CA 0.374 45.465 45.100 -0.015 0.000 0.632 644 G HN 0.853 nan 8.290 nan 0.000 0.533 645 V N 1.604 121.493 119.914 -0.041 0.000 2.383 645 V HA 0.485 4.605 4.120 0.000 0.000 0.275 645 V C 0.235 176.228 176.094 -0.168 0.000 1.036 645 V CA -1.091 61.108 62.300 -0.167 0.000 0.889 645 V CB 1.663 33.316 31.823 -0.284 0.000 0.985 645 V HN 0.356 nan 8.190 nan 0.000 0.459 646 N N 3.399 121.981 118.700 -0.197 0.000 2.420 646 N HA 0.222 4.962 4.740 0.000 0.000 0.249 646 N C -0.032 175.361 175.510 -0.195 0.000 1.033 646 N CA -0.181 52.813 53.050 -0.094 0.000 0.944 646 N CB 0.893 39.346 38.487 -0.057 0.000 1.113 646 N HN 0.579 nan 8.380 nan 0.000 0.502 647 Y N 2.111 122.394 120.300 -0.028 0.000 2.490 647 Y HA 0.003 4.553 4.550 0.000 0.000 0.281 647 Y C 1.466 177.347 175.900 -0.031 0.000 1.174 647 Y CA 0.604 58.683 58.100 -0.036 0.000 1.295 647 Y CB -0.331 38.111 38.460 -0.030 0.000 1.062 647 Y HN 0.723 nan 8.280 nan 0.000 0.522 648 S N -0.483 115.265 115.700 0.081 0.000 3.918 648 S HA -0.161 4.309 4.470 0.000 0.000 0.653 648 S C -2.201 172.429 174.600 0.051 0.000 1.661 648 S CA -0.125 58.100 58.200 0.042 0.000 1.805 648 S CB -1.267 61.940 63.200 0.011 0.000 0.331 648 S HN 0.187 nan 8.310 nan 0.000 1.611 649 P HA 0.167 nan 4.420 nan 0.000 0.245 649 P C 0.439 177.742 177.300 0.005 0.000 1.212 649 P CA 0.830 63.933 63.100 0.006 0.000 0.774 649 P CB -0.263 31.430 31.700 -0.012 0.000 0.999 650 R N -0.169 120.345 120.500 0.023 0.000 2.626 650 R HA 0.462 4.802 4.340 0.000 0.000 0.274 650 R C -1.674 174.658 176.300 0.055 0.000 1.031 650 R CA -0.483 55.637 56.100 0.032 0.000 0.898 650 R CB 1.534 31.838 30.300 0.007 0.000 1.222 650 R HN -0.270 nan 8.270 nan 0.000 0.455 651 Q N 2.304 122.155 119.800 0.086 0.000 2.331 651 Q HA 0.356 4.696 4.340 0.000 0.000 0.272 651 Q C -1.794 174.239 176.000 0.055 0.000 1.062 651 Q CA -0.615 55.211 55.803 0.038 0.000 0.806 651 Q CB 2.293 31.054 28.738 0.039 0.000 1.312 651 Q HN 0.535 nan 8.270 nan 0.000 0.431 652 Q N 1.930 121.680 119.800 -0.083 0.000 2.235 652 Q HA 0.712 5.052 4.340 0.000 0.000 0.256 652 Q C -1.241 174.644 176.000 -0.193 0.000 0.951 652 Q CA 0.043 55.857 55.803 0.017 0.000 0.890 652 Q CB 1.228 29.993 28.738 0.046 0.000 1.279 652 Q HN 0.566 nan 8.270 nan 0.000 0.444 653 F N 0.523 120.519 119.950 0.077 0.000 2.620 653 F HA 0.673 5.200 4.527 0.000 0.000 0.320 653 F C -0.965 175.030 175.800 0.325 0.000 1.069 653 F CA -1.043 57.050 58.000 0.154 0.000 0.953 653 F CB 1.318 40.354 39.000 0.060 0.000 1.322 653 F HN 0.331 nan 8.300 nan 0.000 0.479 654 L N 1.035 122.610 121.223 0.586 0.000 2.401 654 L HA 0.744 5.084 4.340 0.000 0.000 0.266 654 L C -0.810 176.245 176.870 0.309 0.000 0.991 654 L CA -0.156 54.948 54.840 0.441 0.000 0.818 654 L CB 2.098 44.286 42.059 0.215 0.000 1.321 654 L HN 0.540 nan 8.230 nan 0.000 0.413 655 S N 2.806 118.468 115.700 -0.063 0.000 2.502 655 S HA 0.531 5.001 4.470 0.000 0.000 0.304 655 S C 0.044 174.479 174.600 -0.274 0.000 1.097 655 S CA -0.571 57.319 58.200 -0.517 0.000 1.045 655 S CB 1.081 63.391 63.200 -1.482 0.000 1.019 655 S HN 0.755 nan 8.310 nan 0.000 0.481 656 K N 1.966 122.250 120.400 -0.194 0.000 2.373 656 K HA 0.162 4.482 4.320 0.000 0.000 0.202 656 K C -0.491 176.035 176.600 -0.123 0.000 1.025 656 K CA 0.084 56.303 56.287 -0.113 0.000 1.115 656 K CB 0.310 32.782 32.500 -0.048 0.000 0.858 656 K HN 0.663 nan 8.250 nan 0.000 0.525 657 D N -0.669 119.624 120.400 -0.179 0.000 2.720 657 D HA 0.133 4.773 4.640 0.000 0.000 0.285 657 D C 0.730 176.898 176.300 -0.219 0.000 1.359 657 D CA -0.351 53.556 54.000 -0.155 0.000 0.818 657 D CB 0.468 41.242 40.800 -0.043 0.000 1.108 657 D HN 0.103 nan 8.370 nan 0.000 0.474 658 G N -0.369 108.284 108.800 -0.245 0.000 2.143 658 G HA2 -0.015 3.945 3.960 0.000 0.000 0.248 658 G HA3 -0.015 3.945 3.960 0.000 0.000 0.248 658 G C 1.140 175.833 174.900 -0.344 0.000 0.991 658 G CA 0.309 45.256 45.100 -0.255 0.000 0.689 658 G HN 1.477 nan 8.290 nan 0.000 0.522 659 G N -1.374 107.136 108.800 -0.482 0.000 2.159 659 G HA2 -0.194 3.766 3.960 0.000 0.000 0.227 659 G HA3 -0.194 3.766 3.960 0.000 0.000 0.227 659 G C 1.072 175.722 174.900 -0.417 0.000 0.986 659 G CA 0.598 45.374 45.100 -0.539 0.000 0.651 659 G HN 0.865 nan 8.290 nan 0.000 0.523 660 I N 1.583 121.923 120.570 -0.384 0.000 2.277 660 I HA 0.101 4.271 4.170 0.000 0.000 0.243 660 I C 1.783 177.803 176.117 -0.161 0.000 1.094 660 I CA 2.369 63.560 61.300 -0.182 0.000 1.393 660 I CB -1.547 36.413 38.000 -0.067 0.000 1.078 660 I HN 0.568 nan 8.210 nan 0.000 0.417 661 T N -2.700 111.673 114.554 -0.302 0.000 2.916 661 T HA 0.538 4.888 4.350 0.000 0.000 0.292 661 T C -1.246 173.183 174.700 -0.451 0.000 1.055 661 T CA -0.622 61.340 62.100 -0.232 0.000 1.009 661 T CB 2.252 71.030 68.868 -0.150 0.000 1.118 661 T HN 0.102 nan 8.240 nan 0.000 0.497 662 W N -0.041 121.257 121.300 -0.003 0.000 2.992 662 W HA 0.750 5.410 4.660 0.000 0.000 0.342 662 W C -0.073 176.511 176.519 0.109 0.000 1.176 662 W CA -0.818 56.565 57.345 0.064 0.000 1.118 662 W CB 2.129 31.621 29.460 0.053 0.000 1.457 662 W HN 0.797 nan 8.180 nan 0.000 0.573 663 S N 1.270 117.244 115.700 0.456 0.000 2.547 663 S HA 0.544 5.014 4.470 0.000 0.000 0.281 663 S C -1.474 173.312 174.600 0.311 0.000 1.118 663 S CA -0.740 57.640 58.200 0.300 0.000 0.947 663 S CB 0.676 63.973 63.200 0.161 0.000 1.053 663 S HN 0.551 nan 8.310 nan 0.000 0.482 664 L N 5.700 127.013 121.223 0.149 0.000 2.360 664 L HA 0.484 4.824 4.340 0.000 0.000 0.276 664 L C -0.880 175.884 176.870 -0.177 0.000 1.121 664 L CA -0.505 54.174 54.840 -0.268 0.000 0.845 664 L CB 0.268 42.191 42.059 -0.228 0.000 1.143 664 L HN 0.666 nan 8.230 nan 0.000 0.452 665 L N 5.829 126.905 121.223 -0.245 0.000 2.342 665 L HA 0.214 4.554 4.340 0.000 0.000 0.285 665 L C 0.549 177.350 176.870 -0.114 0.000 1.095 665 L CA -0.023 54.749 54.840 -0.114 0.000 0.843 665 L CB 0.542 42.557 42.059 -0.072 0.000 1.201 665 L HN 0.660 nan 8.230 nan 0.000 0.445 666 E N 3.715 123.873 120.200 -0.070 0.000 2.465 666 E HA 0.080 4.431 4.350 0.000 0.000 0.260 666 E C 1.017 177.570 176.600 -0.078 0.000 0.980 666 E CA 0.727 57.089 56.400 -0.064 0.000 0.927 666 E CB 0.497 30.169 29.700 -0.045 0.000 0.934 666 E HN 0.770 nan 8.360 nan 0.000 0.459 667 A N 3.842 126.602 122.820 -0.099 0.000 2.979 667 A HA -0.309 4.011 4.320 0.000 0.000 0.260 667 A C 0.302 177.825 177.584 -0.102 0.000 1.282 667 A CA 1.511 53.486 52.037 -0.103 0.000 0.971 667 A CB -2.270 16.679 19.000 -0.085 0.000 1.124 667 A HN 0.776 nan 8.150 nan 0.000 0.826 668 N N 0.006 118.643 118.700 -0.105 0.000 2.936 668 N HA 0.470 5.210 4.740 0.000 0.000 0.243 668 N C 0.078 175.513 175.510 -0.126 0.000 1.149 668 N CA 0.150 53.131 53.050 -0.115 0.000 0.914 668 N CB 0.117 38.555 38.487 -0.083 0.000 1.179 668 N HN 0.792 nan 8.380 nan 0.000 0.502 669 N N 0.512 119.134 118.700 -0.131 0.000 3.550 669 N HA 0.386 5.127 4.740 0.000 0.000 0.357 669 N C 0.923 176.379 175.510 -0.090 0.000 1.585 669 N CA -0.419 52.580 53.050 -0.084 0.000 0.651 669 N CB -0.194 38.264 38.487 -0.048 0.000 2.273 669 N HN 0.023 nan 8.380 nan 0.000 0.631 670 A N -0.524 122.282 122.820 -0.023 0.000 2.024 670 A HA -0.152 4.168 4.320 0.000 0.000 0.220 670 A C 1.460 179.023 177.584 -0.035 0.000 1.164 670 A CA 1.388 53.437 52.037 0.020 0.000 0.643 670 A CB -1.160 17.845 19.000 0.007 0.000 0.806 670 A HN 0.614 nan 8.150 nan 0.000 0.451 671 N N -0.126 118.525 118.700 -0.081 0.000 2.443 671 N HA -0.103 4.637 4.740 0.000 0.000 0.184 671 N C 1.456 176.879 175.510 -0.144 0.000 1.037 671 N CA 1.219 54.219 53.050 -0.083 0.000 0.896 671 N CB -0.222 38.222 38.487 -0.072 0.000 0.959 671 N HN 0.336 nan 8.380 nan 0.000 0.442 672 V N 0.103 119.827 119.914 -0.317 0.000 3.041 672 V HA 0.002 4.122 4.120 0.000 0.000 0.260 672 V C -0.307 175.453 176.094 -0.556 0.000 1.105 672 V CA 0.674 62.722 62.300 -0.420 0.000 1.125 672 V CB -0.384 31.121 31.823 -0.530 0.000 0.730 672 V HN -0.024 nan 8.190 nan 0.000 0.479 673 F N 1.251 120.991 119.950 -0.350 0.000 2.309 673 F HA 0.474 5.001 4.527 0.000 0.000 0.366 673 F C 0.947 176.716 175.800 -0.050 0.000 1.104 673 F CA -0.576 57.094 58.000 -0.550 0.000 1.179 673 F CB 0.432 38.668 39.000 -1.274 0.000 1.437 673 F HN -0.150 nan 8.300 nan 0.000 0.528 674 S N 3.525 119.464 115.700 0.398 0.000 2.563 674 S HA -0.049 4.421 4.470 0.000 0.000 0.294 674 S C 0.863 175.775 174.600 0.520 0.000 1.279 674 S CA -0.010 58.418 58.200 0.379 0.000 1.069 674 S CB -0.053 63.333 63.200 0.310 0.000 0.828 674 S HN 0.753 nan 8.310 nan 0.000 0.497 675 N N 0.017 118.911 118.700 0.323 0.000 2.741 675 N HA -0.191 4.549 4.740 0.000 0.000 0.251 675 N C -0.191 175.562 175.510 0.406 0.000 1.112 675 N CA 0.546 53.775 53.050 0.299 0.000 0.750 675 N CB -1.230 37.396 38.487 0.231 0.000 1.119 675 N HN 0.694 nan 8.380 nan 0.000 0.561 676 I N 0.635 121.440 120.570 0.392 0.000 2.720 676 I HA 0.041 4.211 4.170 0.000 0.000 0.287 676 I C 1.067 177.276 176.117 0.155 0.000 1.090 676 I CA 0.007 61.473 61.300 0.276 0.000 1.384 676 I CB 0.940 38.890 38.000 -0.083 0.000 1.420 676 I HN 0.157 nan 8.210 nan 0.000 0.575 677 S N 2.944 118.719 115.700 0.125 0.000 2.568 677 S HA 0.005 4.475 4.470 0.000 0.000 0.282 677 S C 1.126 175.749 174.600 0.038 0.000 1.338 677 S CA 0.166 58.411 58.200 0.076 0.000 1.045 677 S CB 0.696 63.931 63.200 0.060 0.000 0.873 677 S HN 0.763 nan 8.310 nan 0.000 0.516 678 T N 1.529 116.104 114.554 0.034 0.000 3.107 678 T HA 0.321 4.672 4.350 0.000 0.000 0.249 678 T C 0.749 175.454 174.700 0.008 0.000 1.096 678 T CA 0.051 62.163 62.100 0.020 0.000 1.012 678 T CB -0.205 68.677 68.868 0.023 0.000 0.977 678 T HN 0.658 nan 8.240 nan 0.000 0.527 679 G N 1.988 110.792 108.800 0.007 0.000 2.367 679 G HA2 0.488 4.448 3.960 0.000 0.000 0.314 679 G HA3 0.488 4.448 3.960 0.000 0.000 0.314 679 G C 0.002 174.891 174.900 -0.018 0.000 1.130 679 G CA -0.683 44.416 45.100 -0.002 0.000 0.864 679 G HN 0.390 nan 8.290 nan 0.000 0.486 680 T N -1.420 113.115 114.554 -0.032 0.000 2.888 680 T HA 0.438 4.788 4.350 0.000 0.000 0.301 680 T C -0.010 174.660 174.700 -0.050 0.000 1.001 680 T CA -0.420 61.647 62.100 -0.056 0.000 1.147 680 T CB 1.436 70.254 68.868 -0.082 0.000 0.931 680 T HN 1.136 nan 8.240 nan 0.000 0.541 681 V N 1.364 121.221 119.914 -0.096 0.000 3.278 681 V HA 0.417 4.537 4.120 0.000 0.000 0.288 681 V C -1.642 174.245 176.094 -0.345 0.000 1.514 681 V CA -1.080 61.136 62.300 -0.141 0.000 1.051 681 V CB 2.418 34.206 31.823 -0.059 0.000 1.163 681 V HN 1.163 nan 8.190 nan 0.000 0.458 682 D N 2.359 122.303 120.400 -0.760 0.000 2.341 682 D HA 0.714 5.354 4.640 0.000 0.000 0.245 682 D C 0.070 176.065 176.300 -0.508 0.000 1.106 682 D CA 0.946 54.495 54.000 -0.752 0.000 0.905 682 D CB 1.780 41.827 40.800 -1.254 0.000 1.202 682 D HN 1.035 nan 8.370 nan 0.000 0.426 683 A N 2.102 124.677 122.820 -0.407 0.000 2.464 683 A HA 0.773 5.094 4.320 0.000 0.000 0.268 683 A C -0.788 176.551 177.584 -0.408 0.000 1.244 683 A CA -0.620 51.118 52.037 -0.497 0.000 0.871 683 A CB 1.609 20.222 19.000 -0.644 0.000 1.400 683 A HN 0.471 nan 8.150 nan 0.000 0.455 684 S N -1.097 114.292 115.700 -0.519 0.000 2.546 684 S HA 0.737 5.207 4.470 0.000 0.000 0.274 684 S C -1.519 172.959 174.600 -0.204 0.000 1.121 684 S CA -0.397 57.646 58.200 -0.262 0.000 0.887 684 S CB 1.019 64.145 63.200 -0.123 0.000 1.094 684 S HN 1.031 nan 8.310 nan 0.000 0.474 685 I N 2.277 122.859 120.570 0.020 0.000 2.722 685 I HA 0.695 4.865 4.170 0.000 0.000 0.295 685 I C -1.064 175.200 176.117 0.246 0.000 1.161 685 I CA 0.079 61.505 61.300 0.211 0.000 1.032 685 I CB 2.323 40.518 38.000 0.325 0.000 1.244 685 I HN 0.712 nan 8.210 nan 0.000 0.421 686 T N 5.278 120.000 114.554 0.280 0.000 2.786 686 T HA 0.362 4.712 4.350 0.000 0.000 0.316 686 T C -1.498 173.307 174.700 0.174 0.000 1.503 686 T CA -0.643 61.595 62.100 0.229 0.000 1.019 686 T CB 1.659 70.640 68.868 0.187 0.000 1.415 686 T HN 0.743 nan 8.240 nan 0.000 0.496 687 R N 1.859 122.404 120.500 0.075 0.000 2.404 687 R HA 0.658 4.998 4.340 0.000 0.000 0.291 687 R C -1.511 174.780 176.300 -0.014 0.000 1.025 687 R CA -0.442 55.684 56.100 0.043 0.000 0.991 687 R CB 0.620 30.910 30.300 -0.017 0.000 1.053 687 R HN 0.522 nan 8.270 nan 0.000 0.479 688 F N 2.632 122.451 119.950 -0.218 0.000 2.507 688 F HA 0.311 4.838 4.527 0.000 0.000 0.328 688 F C -0.946 174.597 175.800 -0.428 0.000 1.136 688 F CA -0.596 57.195 58.000 -0.350 0.000 0.930 688 F CB 1.738 40.452 39.000 -0.476 0.000 1.166 688 F HN 0.610 nan 8.300 nan 0.000 0.436 689 E N 5.700 125.463 120.200 -0.728 0.000 2.176 689 E HA 0.314 4.664 4.350 0.000 0.000 0.267 689 E C -1.089 175.234 176.600 -0.462 0.000 0.893 689 E CA -0.601 55.553 56.400 -0.411 0.000 0.761 689 E CB 1.304 30.854 29.700 -0.249 0.000 1.133 689 E HN 0.715 nan 8.360 nan 0.000 0.409 690 Q N 1.250 120.960 119.800 -0.149 0.000 2.237 690 Q HA 0.149 4.489 4.340 0.000 0.000 0.219 690 Q C 1.283 177.268 176.000 -0.024 0.000 0.999 690 Q CA 0.074 55.871 55.803 -0.010 0.000 0.959 690 Q CB 1.199 30.050 28.738 0.190 0.000 1.173 690 Q HN 0.765 nan 8.270 nan 0.000 0.527 691 S N 0.191 115.895 115.700 0.008 0.000 2.368 691 S HA -0.196 4.274 4.470 0.000 0.000 0.225 691 S C 1.149 175.757 174.600 0.014 0.000 1.030 691 S CA 1.760 59.959 58.200 -0.001 0.000 0.999 691 S CB -0.519 62.686 63.200 0.008 0.000 0.844 691 S HN 0.787 nan 8.310 nan 0.000 0.459 692 D N 0.800 121.223 120.400 0.038 0.000 2.378 692 D HA 0.240 4.880 4.640 0.000 0.000 0.222 692 D C 1.496 177.821 176.300 0.041 0.000 0.980 692 D CA 0.854 54.879 54.000 0.040 0.000 0.907 692 D CB -0.796 40.036 40.800 0.054 0.000 0.899 692 D HN 0.671 nan 8.370 nan 0.000 0.527 693 G N -0.320 108.504 108.800 0.040 0.000 2.232 693 G HA2 -0.286 3.674 3.960 0.000 0.000 0.226 693 G HA3 -0.286 3.674 3.960 0.000 0.000 0.226 693 G C 0.536 175.492 174.900 0.093 0.000 0.996 693 G CA 0.225 45.353 45.100 0.047 0.000 0.626 693 G HN 0.852 nan 8.290 nan 0.000 0.509 694 S N 0.544 116.307 115.700 0.104 0.000 2.580 694 S HA 0.586 5.056 4.470 0.000 0.000 0.266 694 S C -0.014 174.681 174.600 0.157 0.000 1.354 694 S CA 0.861 59.139 58.200 0.130 0.000 1.008 694 S CB 1.043 64.335 63.200 0.152 0.000 0.898 694 S HN 2.082 nan 8.310 nan 0.000 0.555 695 H N -1.449 117.703 119.070 0.137 0.000 3.017 695 H HA 0.783 5.339 4.556 0.000 0.000 0.346 695 H C -0.911 174.542 175.328 0.209 0.000 1.286 695 H CA -1.236 54.816 56.048 0.006 0.000 1.120 695 H CB 0.647 30.387 29.762 -0.035 0.000 1.860 695 H HN 0.789 nan 8.280 nan 0.000 0.542 696 F N -1.395 118.731 119.950 0.294 0.000 2.817 696 F HA 0.612 5.139 4.527 0.000 0.000 0.317 696 F C -2.209 173.687 175.800 0.159 0.000 1.168 696 F CA -1.532 56.556 58.000 0.145 0.000 0.911 696 F CB 0.927 39.956 39.000 0.048 0.000 1.337 696 F HN 0.558 nan 8.300 nan 0.000 0.464 697 L N 2.170 123.560 121.223 0.279 0.000 2.331 697 L HA 0.727 5.067 4.340 0.000 0.000 0.275 697 L C -0.848 176.236 176.870 0.356 0.000 1.022 697 L CA -0.957 54.035 54.840 0.255 0.000 0.812 697 L CB 1.818 43.965 42.059 0.147 0.000 1.257 697 L HN 0.537 nan 8.230 nan 0.000 0.435 698 L N 2.109 123.563 121.223 0.385 0.000 2.362 698 L HA 0.579 4.919 4.340 0.000 0.000 0.271 698 L C -1.206 175.929 176.870 0.441 0.000 1.002 698 L CA -0.488 54.520 54.840 0.281 0.000 0.818 698 L CB 2.344 44.444 42.059 0.068 0.000 1.298 698 L HN 0.405 nan 8.230 nan 0.000 0.420 699 F N 1.583 121.650 119.950 0.196 0.000 2.574 699 F HA 0.623 5.150 4.527 0.000 0.000 0.313 699 F C -0.477 175.356 175.800 0.055 0.000 1.130 699 F CA -0.242 57.756 58.000 -0.003 0.000 0.936 699 F CB 2.081 40.832 39.000 -0.416 0.000 1.219 699 F HN 0.469 nan 8.300 nan 0.000 0.445 700 T N 2.545 116.715 114.554 -0.640 0.000 2.863 700 T HA 0.719 5.069 4.350 0.000 0.000 0.285 700 T C -1.173 173.122 174.700 -0.675 0.000 1.009 700 T CA -0.758 61.124 62.100 -0.364 0.000 0.989 700 T CB 1.789 70.556 68.868 -0.169 0.000 1.004 700 T HN 0.840 nan 8.240 nan 0.000 0.455 701 N N 1.413 120.006 118.700 -0.179 0.000 3.171 701 N HA 0.448 5.188 4.740 0.000 0.000 0.239 701 N C -3.255 172.331 175.510 0.126 0.000 1.275 701 N CA -1.138 51.810 53.050 -0.170 0.000 0.920 701 N CB 1.917 40.192 38.487 -0.354 0.000 1.554 701 N HN 0.349 nan 8.380 nan 0.000 0.504 702 P HA 0.162 nan 4.420 nan 0.000 0.272 702 P C -0.392 177.027 177.300 0.198 0.000 1.223 702 P CA 0.140 63.307 63.100 0.112 0.000 0.784 702 P CB 0.635 32.375 31.700 0.067 0.000 0.923 703 Q N 0.995 120.903 119.800 0.180 0.000 2.373 703 Q HA 0.262 4.602 4.340 0.000 0.000 0.210 703 Q C 0.766 176.845 176.000 0.133 0.000 0.913 703 Q CA 0.464 56.393 55.803 0.211 0.000 0.911 703 Q CB 0.121 28.936 28.738 0.129 0.000 1.040 703 Q HN 0.782 nan 8.270 nan 0.000 0.521 704 G N 1.840 110.695 108.800 0.091 0.000 2.707 704 G HA2 -0.242 3.718 3.960 0.000 0.000 0.686 704 G HA3 -0.242 3.718 3.960 0.000 0.000 0.686 704 G C -1.028 173.904 174.900 0.052 0.000 1.315 704 G CA -0.397 44.742 45.100 0.065 0.000 0.832 704 G HN 0.293 nan 8.290 nan 0.000 0.573 705 N N 0.675 119.399 118.700 0.040 0.000 2.571 705 N HA 0.551 5.291 4.740 0.000 0.000 0.286 705 N C -2.553 172.974 175.510 0.028 0.000 1.138 705 N CA -1.247 51.822 53.050 0.031 0.000 0.859 705 N CB 1.542 40.044 38.487 0.025 0.000 1.414 705 N HN 0.473 nan 8.380 nan 0.000 0.529 706 P HA 0.115 nan 4.420 nan 0.000 0.269 706 P C -0.712 176.613 177.300 0.041 0.000 1.217 706 P CA -0.403 62.715 63.100 0.030 0.000 0.783 706 P CB 0.550 32.266 31.700 0.027 0.000 0.898 707 A N 1.415 124.262 122.820 0.045 0.000 2.540 707 A HA 0.418 4.738 4.320 0.000 0.000 0.239 707 A C 1.426 179.057 177.584 0.078 0.000 1.061 707 A CA 0.625 52.702 52.037 0.067 0.000 0.758 707 A CB -1.203 17.835 19.000 0.063 0.000 0.991 707 A HN 0.964 nan 8.150 nan 0.000 0.502 708 G N 1.238 110.099 108.800 0.101 0.000 2.157 708 G HA2 -0.128 3.833 3.960 0.000 0.000 0.248 708 G HA3 -0.128 3.833 3.960 0.000 0.000 0.248 708 G C 0.472 175.412 174.900 0.065 0.000 0.979 708 G CA 1.163 46.319 45.100 0.093 0.000 0.650 708 G HN 2.165 nan 8.290 nan 0.000 0.529 709 T N -2.233 112.356 114.554 0.059 0.000 2.919 709 T HA 0.644 4.994 4.350 0.000 0.000 0.282 709 T C -0.057 174.668 174.700 0.041 0.000 1.020 709 T CA -0.366 61.760 62.100 0.043 0.000 0.994 709 T CB 1.943 70.833 68.868 0.037 0.000 1.180 709 T HN 0.205 nan 8.240 nan 0.000 0.566 710 N N 0.348 119.067 118.700 0.032 0.000 2.411 710 N HA 0.525 5.265 4.740 0.000 0.000 0.259 710 N C -0.271 175.256 175.510 0.029 0.000 1.103 710 N CA 0.274 53.340 53.050 0.027 0.000 0.954 710 N CB 0.377 38.876 38.487 0.020 0.000 1.085 710 N HN 1.179 nan 8.380 nan 0.000 0.485 711 G N 2.565 111.384 108.800 0.032 0.000 2.405 711 G HA2 0.112 4.072 3.960 0.000 0.000 0.303 711 G HA3 0.112 4.072 3.960 0.000 0.000 0.303 711 G C -0.996 173.929 174.900 0.041 0.000 1.644 711 G CA -0.908 44.212 45.100 0.033 0.000 0.899 711 G HN 0.526 nan 8.290 nan 0.000 0.667 712 R N 1.896 122.421 120.500 0.042 0.000 3.701 712 R HA 0.281 4.621 4.340 0.000 0.000 0.210 712 R C -0.267 176.064 176.300 0.052 0.000 1.598 712 R CA -0.171 55.959 56.100 0.051 0.000 1.427 712 R CB 0.276 30.610 30.300 0.057 0.000 1.339 712 R HN 0.424 nan 8.270 nan 0.000 0.720 713 Q N 0.849 120.681 119.800 0.052 0.000 2.421 713 Q HA 0.232 4.573 4.340 0.000 0.000 0.280 713 Q C -0.580 175.451 176.000 0.052 0.000 1.085 713 Q CA -1.169 54.664 55.803 0.048 0.000 0.807 713 Q CB 1.866 30.627 28.738 0.038 0.000 1.405 713 Q HN 0.325 nan 8.270 nan 0.000 0.419 714 N N 0.646 119.371 118.700 0.043 0.000 2.586 714 N HA -0.216 4.524 4.740 0.000 0.000 0.282 714 N C -0.621 174.913 175.510 0.040 0.000 1.171 714 N CA 0.295 53.364 53.050 0.031 0.000 0.733 714 N CB -1.127 37.370 38.487 0.016 0.000 0.910 714 N HN 0.570 nan 8.380 nan 0.000 0.548 715 L N 0.548 121.800 121.223 0.049 0.000 2.540 715 L HA 0.326 4.666 4.340 0.000 0.000 0.276 715 L C 1.219 178.092 176.870 0.006 0.000 1.212 715 L CA 0.861 55.731 54.840 0.050 0.000 0.893 715 L CB 0.241 42.331 42.059 0.051 0.000 1.138 715 L HN 0.485 nan 8.230 nan 0.000 0.491 716 G N 4.602 113.407 108.800 0.009 0.000 2.511 716 G HA2 0.582 4.542 3.960 0.000 0.000 0.318 716 G HA3 0.582 4.542 3.960 0.000 0.000 0.318 716 G C -1.870 172.931 174.900 -0.164 0.000 1.210 716 G CA -0.690 44.270 45.100 -0.234 0.000 0.969 716 G HN 0.668 nan 8.290 nan 0.000 0.484 717 L N 0.604 121.661 121.223 -0.276 0.000 2.349 717 L HA 0.665 5.005 4.340 0.000 0.000 0.278 717 L C -1.072 175.806 176.870 0.014 0.000 0.996 717 L CA -1.113 53.706 54.840 -0.034 0.000 0.825 717 L CB 1.036 43.070 42.059 -0.043 0.000 1.243 717 L HN 0.561 nan 8.230 nan 0.000 0.412 718 W N 4.400 125.830 121.300 0.217 0.000 2.639 718 W HA 0.483 5.143 4.660 0.000 0.000 0.347 718 W C -1.148 175.646 176.519 0.458 0.000 1.067 718 W CA -0.477 57.141 57.345 0.455 0.000 1.218 718 W CB 1.934 31.692 29.460 0.497 0.000 1.393 718 W HN 0.301 nan 8.180 nan 0.000 0.557 719 F N 0.972 121.266 119.950 0.575 0.000 2.532 719 F HA 0.351 4.878 4.527 0.000 0.000 0.321 719 F C 0.264 175.931 175.800 -0.223 0.000 1.089 719 F CA -1.097 56.966 58.000 0.105 0.000 0.926 719 F CB 1.945 40.704 39.000 -0.402 0.000 1.168 719 F HN -0.051 nan 8.300 nan 0.000 0.459 720 S N 2.051 117.424 115.700 -0.546 0.000 2.659 720 S HA 0.530 5.000 4.470 0.000 0.000 0.312 720 S C -0.503 173.702 174.600 -0.658 0.000 1.114 720 S CA -0.409 57.257 58.200 -0.890 0.000 1.063 720 S CB 0.136 62.318 63.200 -1.697 0.000 0.996 720 S HN 0.452 nan 8.310 nan 0.000 0.478 721 F N 2.365 122.241 119.950 -0.122 0.000 2.664 721 F HA 0.282 4.810 4.527 0.000 0.000 0.303 721 F C 0.874 176.626 175.800 -0.081 0.000 1.092 721 F CA -0.516 57.451 58.000 -0.055 0.000 1.305 721 F CB 0.500 39.454 39.000 -0.076 0.000 1.054 721 F HN 0.557 nan 8.300 nan 0.000 0.565 722 D N -1.445 118.938 120.400 -0.028 0.000 2.819 722 D HA 0.169 4.809 4.640 0.000 0.000 0.326 722 D C 0.164 176.428 176.300 -0.060 0.000 1.408 722 D CA -0.320 53.664 54.000 -0.027 0.000 0.811 722 D CB -0.186 40.597 40.800 -0.028 0.000 1.148 722 D HN -0.017 nan 8.370 nan 0.000 0.457 723 E N -0.030 120.141 120.200 -0.050 0.000 2.637 723 E HA -0.121 4.229 4.350 0.000 0.000 0.265 723 E C 1.191 177.748 176.600 -0.073 0.000 1.073 723 E CA 1.125 57.517 56.400 -0.013 0.000 0.778 723 E CB -1.531 28.195 29.700 0.044 0.000 1.362 723 E HN 0.851 nan 8.360 nan 0.000 0.413 724 G N -2.273 106.371 108.800 -0.259 0.000 2.157 724 G HA2 -0.357 3.603 3.960 0.000 0.000 0.248 724 G HA3 -0.357 3.603 3.960 0.000 0.000 0.248 724 G C 0.983 175.794 174.900 -0.148 0.000 0.979 724 G CA 0.329 45.289 45.100 -0.234 0.000 0.650 724 G HN 0.502 nan 8.290 nan 0.000 0.529 725 V N 0.652 120.465 119.914 -0.169 0.000 2.407 725 V HA 0.200 4.320 4.120 0.000 0.000 0.245 725 V C 1.757 177.783 176.094 -0.114 0.000 1.041 725 V CA 2.614 64.856 62.300 -0.096 0.000 1.040 725 V CB -0.132 31.652 31.823 -0.065 0.000 0.671 725 V HN 1.175 nan 8.190 nan 0.000 0.455 726 T N -3.688 110.741 114.554 -0.207 0.000 2.883 726 T HA 0.573 4.923 4.350 0.000 0.000 0.296 726 T C -1.708 172.812 174.700 -0.300 0.000 1.117 726 T CA -0.717 61.306 62.100 -0.128 0.000 1.006 726 T CB 2.161 71.008 68.868 -0.036 0.000 1.191 726 T HN 0.164 nan 8.240 nan 0.000 0.508 727 W N 0.650 121.924 121.300 -0.042 0.000 2.915 727 W HA 0.624 5.284 4.660 0.000 0.000 0.337 727 W C -0.504 176.137 176.519 0.204 0.000 1.102 727 W CA -0.937 56.456 57.345 0.080 0.000 1.224 727 W CB 1.874 31.356 29.460 0.037 0.000 1.416 727 W HN 0.372 nan 8.180 nan 0.000 0.503 728 K N 1.977 122.665 120.400 0.480 0.000 2.227 728 K HA 0.408 4.728 4.320 0.000 0.000 0.280 728 K C 0.565 177.402 176.600 0.395 0.000 1.041 728 K CA -0.500 56.007 56.287 0.366 0.000 0.905 728 K CB 0.690 33.365 32.500 0.292 0.000 1.068 728 K HN 0.702 nan 8.250 nan 0.000 0.470 729 G N 5.191 114.158 108.800 0.279 0.000 3.127 729 G HA2 -0.166 3.794 3.960 0.000 0.000 0.224 729 G HA3 -0.166 3.794 3.960 0.000 0.000 0.224 729 G C -2.048 172.784 174.900 -0.114 0.000 1.025 729 G CA -0.508 44.684 45.100 0.152 0.000 0.916 729 G HN 0.364 nan 8.290 nan 0.000 0.475 730 P HA 0.345 nan 4.420 nan 0.000 0.278 730 P C -0.227 176.850 177.300 -0.371 0.000 1.238 730 P CA -0.357 62.220 63.100 -0.873 0.000 0.794 730 P CB 1.290 31.980 31.700 -1.683 0.000 0.955 731 I N 2.049 122.475 120.570 -0.240 0.000 2.321 731 I HA 0.218 4.388 4.170 0.000 0.000 0.291 731 I C 1.021 177.046 176.117 -0.153 0.000 0.998 731 I CA -0.714 60.520 61.300 -0.110 0.000 1.227 731 I CB 1.245 39.264 38.000 0.031 0.000 1.368 731 I HN 0.345 nan 8.210 nan 0.000 0.466 732 Q N 5.824 125.541 119.800 -0.137 0.000 2.297 732 Q HA 0.202 4.542 4.340 0.000 0.000 0.267 732 Q C 0.143 176.094 176.000 -0.082 0.000 1.006 732 Q CA 0.024 55.757 55.803 -0.117 0.000 0.896 732 Q CB 0.956 29.635 28.738 -0.099 0.000 1.186 732 Q HN 0.726 nan 8.270 nan 0.000 0.392 733 L N 3.248 124.440 121.223 -0.051 0.000 2.515 733 L HA 0.256 4.596 4.340 0.000 0.000 0.223 733 L C -0.170 176.717 176.870 0.028 0.000 1.079 733 L CA 0.056 54.888 54.840 -0.013 0.000 0.857 733 L CB 0.837 42.901 42.059 0.008 0.000 1.050 733 L HN 0.355 nan 8.230 nan 0.000 0.476 734 V N -0.076 119.856 119.914 0.030 0.000 2.789 734 V HA 0.290 4.410 4.120 0.000 0.000 0.311 734 V C -1.049 175.046 176.094 0.001 0.000 1.073 734 V CA -0.685 61.656 62.300 0.069 0.000 0.921 734 V CB 2.144 34.052 31.823 0.142 0.000 1.009 734 V HN 0.083 nan 8.190 nan 0.000 0.426 735 N N 2.646 121.310 118.700 -0.059 0.000 2.816 735 N HA 0.681 5.421 4.740 0.000 0.000 0.236 735 N C -0.072 175.383 175.510 -0.092 0.000 1.076 735 N CA 0.905 53.909 53.050 -0.076 0.000 0.902 735 N CB 1.011 39.442 38.487 -0.094 0.000 1.149 735 N HN 1.141 nan 8.380 nan 0.000 0.506 736 G N 0.772 109.555 108.800 -0.030 0.000 2.302 736 G HA2 0.351 4.311 3.960 0.000 0.000 0.264 736 G HA3 0.351 4.311 3.960 0.000 0.000 0.264 736 G C -1.224 173.699 174.900 0.038 0.000 1.335 736 G CA -0.379 44.715 45.100 -0.010 0.000 0.982 736 G HN 0.579 nan 8.290 nan 0.000 0.473 737 A N -0.512 122.343 122.820 0.058 0.000 2.567 737 A HA 0.554 4.874 4.320 0.000 0.000 0.240 737 A C 0.556 178.196 177.584 0.094 0.000 1.053 737 A CA 1.541 53.621 52.037 0.071 0.000 0.755 737 A CB -0.192 18.851 19.000 0.071 0.000 0.978 737 A HN 1.854 nan 8.150 nan 0.000 0.507 738 S N 0.885 116.632 115.700 0.079 0.000 2.706 738 S HA 0.596 5.066 4.470 0.000 0.000 0.270 738 S C 0.258 174.907 174.600 0.081 0.000 1.163 738 S CA 0.038 58.289 58.200 0.085 0.000 1.042 738 S CB 1.462 64.710 63.200 0.080 0.000 1.079 738 S HN 1.371 nan 8.310 nan 0.000 0.474 739 A N 2.393 125.271 122.820 0.096 0.000 3.132 739 A HA 0.800 5.120 4.320 0.000 0.000 0.202 739 A C -0.891 176.827 177.584 0.223 0.000 1.689 739 A CA -0.158 51.969 52.037 0.151 0.000 1.770 739 A CB -0.282 18.791 19.000 0.122 0.000 1.510 739 A HN 0.594 nan 8.150 nan 0.000 0.470 740 Y N 1.266 121.549 120.300 -0.029 0.000 2.480 740 Y HA 0.413 4.963 4.550 0.000 0.000 0.338 740 Y C 1.106 176.987 175.900 -0.032 0.000 1.220 740 Y CA 0.057 58.133 58.100 -0.040 0.000 1.430 740 Y CB 0.424 38.864 38.460 -0.033 0.000 1.311 740 Y HN 0.648 nan 8.280 nan 0.000 0.575 741 S N 0.693 116.434 115.700 0.068 0.000 2.596 741 S HA 0.676 5.147 4.470 0.000 0.000 0.270 741 S C -1.841 172.769 174.600 0.017 0.000 1.155 741 S CA -0.978 57.243 58.200 0.035 0.000 0.827 741 S CB 2.962 66.155 63.200 -0.012 0.000 1.130 741 S HN 0.470 nan 8.310 nan 0.000 0.467 742 D N -0.037 120.403 120.400 0.067 0.000 2.947 742 D HA 0.617 5.257 4.640 0.000 0.000 0.224 742 D C -1.589 174.812 176.300 0.169 0.000 1.230 742 D CA -0.334 53.745 54.000 0.132 0.000 0.871 742 D CB 1.857 42.782 40.800 0.208 0.000 1.671 742 D HN 0.778 nan 8.370 nan 0.000 0.507 743 I N 2.951 123.654 120.570 0.222 0.000 2.608 743 I HA 0.635 4.805 4.170 0.000 0.000 0.295 743 I C -1.907 174.401 176.117 0.318 0.000 1.049 743 I CA -0.774 60.655 61.300 0.215 0.000 1.063 743 I CB 1.471 39.545 38.000 0.123 0.000 1.248 743 I HN 0.450 nan 8.210 nan 0.000 0.424 744 Y N 4.933 125.291 120.300 0.098 0.000 2.552 744 Y HA 0.279 4.829 4.550 0.000 0.000 0.337 744 Y C -0.758 175.185 175.900 0.073 0.000 1.094 744 Y CA -0.620 57.496 58.100 0.027 0.000 1.028 744 Y CB 1.739 40.151 38.460 -0.080 0.000 1.321 744 Y HN 0.564 nan 8.280 nan 0.000 0.456 745 Q N 3.936 123.683 119.800 -0.088 0.000 2.297 745 Q HA 0.194 4.534 4.340 0.000 0.000 0.267 745 Q C -0.433 175.642 176.000 0.125 0.000 1.006 745 Q CA -0.008 55.825 55.803 0.050 0.000 0.896 745 Q CB 1.095 29.720 28.738 -0.188 0.000 1.186 745 Q HN 0.878 nan 8.270 nan 0.000 0.392 746 L N 4.096 125.400 121.223 0.134 0.000 2.200 746 L HA 0.216 4.556 4.340 0.000 0.000 0.200 746 L C -0.416 176.462 176.870 0.013 0.000 1.072 746 L CA 1.777 56.666 54.840 0.082 0.000 0.787 746 L CB 0.185 42.294 42.059 0.082 0.000 0.957 746 L HN 0.970 nan 8.230 nan 0.000 0.459 747 D N -4.420 115.987 120.400 0.011 0.000 2.838 747 D HA 0.135 4.775 4.640 0.000 0.000 0.334 747 D C 0.617 176.873 176.300 -0.074 0.000 1.315 747 D CA 0.165 54.142 54.000 -0.038 0.000 0.917 747 D CB 0.200 40.992 40.800 -0.015 0.000 1.435 747 D HN -0.126 nan 8.370 nan 0.000 0.517 748 S N -1.151 114.503 115.700 -0.076 0.000 2.465 748 S HA -0.174 4.296 4.470 0.000 0.000 0.241 748 S C 0.726 175.398 174.600 0.119 0.000 1.000 748 S CA 1.309 59.456 58.200 -0.088 0.000 0.964 748 S CB -0.582 62.590 63.200 -0.046 0.000 0.763 748 S HN 0.564 nan 8.310 nan 0.000 0.512 749 E N 0.014 120.340 120.200 0.209 0.000 2.541 749 E HA 0.258 4.608 4.350 0.000 0.000 0.219 749 E C -0.632 176.164 176.600 0.325 0.000 0.922 749 E CA -0.213 56.370 56.400 0.305 0.000 1.095 749 E CB 0.338 30.116 29.700 0.130 0.000 1.112 749 E HN 0.539 nan 8.360 nan 0.000 0.516 750 N N 0.378 119.269 118.700 0.319 0.000 2.262 750 N HA 0.596 5.336 4.740 0.000 0.000 0.295 750 N C -1.430 174.274 175.510 0.324 0.000 1.161 750 N CA -0.570 52.621 53.050 0.234 0.000 0.767 750 N CB 2.110 40.665 38.487 0.113 0.000 1.499 750 N HN 0.039 nan 8.380 nan 0.000 0.476 751 A N 0.653 123.600 122.820 0.211 0.000 2.401 751 A HA 0.731 5.051 4.320 0.000 0.000 0.310 751 A C -1.138 176.529 177.584 0.138 0.000 1.075 751 A CA -0.592 51.570 52.037 0.209 0.000 0.746 751 A CB 0.713 19.811 19.000 0.163 0.000 1.277 751 A HN 0.728 nan 8.150 nan 0.000 0.425 752 I N 1.927 122.591 120.570 0.156 0.000 2.493 752 I HA 0.663 4.833 4.170 0.000 0.000 0.298 752 I C -1.278 174.923 176.117 0.139 0.000 0.998 752 I CA -0.765 60.617 61.300 0.137 0.000 1.137 752 I CB 1.696 39.785 38.000 0.150 0.000 1.310 752 I HN 0.375 nan 8.210 nan 0.000 0.445 753 V N 8.136 128.113 119.914 0.105 0.000 2.588 753 V HA 0.462 4.582 4.120 0.000 0.000 0.304 753 V C -0.431 175.702 176.094 0.066 0.000 1.042 753 V CA -0.637 61.716 62.300 0.089 0.000 0.877 753 V CB 1.880 33.739 31.823 0.060 0.000 0.996 753 V HN 0.585 nan 8.190 nan 0.000 0.425 754 I N 6.011 126.623 120.570 0.070 0.000 2.433 754 I HA 0.808 4.978 4.170 0.000 0.000 0.292 754 I C -0.955 175.190 176.117 0.047 0.000 1.001 754 I CA -0.595 60.728 61.300 0.038 0.000 1.119 754 I CB 1.561 39.593 38.000 0.053 0.000 1.289 754 I HN 0.582 nan 8.210 nan 0.000 0.438 755 V N 2.840 122.768 119.914 0.023 0.000 2.888 755 V HA 0.542 4.662 4.120 0.000 0.000 0.309 755 V C -0.729 175.386 176.094 0.036 0.000 1.114 755 V CA -0.839 61.486 62.300 0.042 0.000 0.940 755 V CB 1.701 33.552 31.823 0.046 0.000 1.021 755 V HN 0.749 nan 8.190 nan 0.000 0.426 756 E N 2.721 122.955 120.200 0.057 0.000 2.290 756 E HA 0.493 4.843 4.350 0.000 0.000 0.277 756 E C 0.389 177.021 176.600 0.053 0.000 1.035 756 E CA 0.323 56.745 56.400 0.037 0.000 0.873 756 E CB 1.548 31.259 29.700 0.018 0.000 1.029 756 E HN 1.012 nan 8.360 nan 0.000 0.419 757 T N -0.994 113.591 114.554 0.052 0.000 2.061 757 T HA 0.062 4.412 4.350 0.000 0.000 0.190 757 T C -0.096 174.654 174.700 0.083 0.000 0.781 757 T CA -0.822 61.337 62.100 0.099 0.000 1.192 757 T CB -0.165 68.806 68.868 0.171 0.000 2.891 757 T HN 0.480 nan 8.240 nan 0.000 0.450 758 D N 2.049 122.517 120.400 0.115 0.000 2.487 758 D HA 0.008 4.649 4.640 0.000 0.000 0.243 758 D C -0.230 176.098 176.300 0.048 0.000 1.154 758 D CA -0.083 53.967 54.000 0.084 0.000 0.876 758 D CB -0.150 40.716 40.800 0.110 0.000 1.161 758 D HN 0.599 nan 8.370 nan 0.000 0.478 759 N N 1.792 120.509 118.700 0.029 0.000 2.708 759 N HA -0.255 4.485 4.740 0.000 0.000 0.249 759 N C -0.241 175.266 175.510 -0.005 0.000 1.097 759 N CA 1.084 54.139 53.050 0.009 0.000 0.710 759 N CB -1.235 37.259 38.487 0.012 0.000 1.032 759 N HN 0.637 nan 8.380 nan 0.000 0.551 760 S N -2.515 113.182 115.700 -0.005 0.000 3.127 760 S HA -0.206 4.264 4.470 0.000 0.000 0.281 760 S C 0.211 174.805 174.600 -0.011 0.000 1.293 760 S CA 0.732 58.919 58.200 -0.023 0.000 1.156 760 S CB -0.773 62.392 63.200 -0.058 0.000 1.389 760 S HN 0.555 nan 8.310 nan 0.000 0.672 761 N N 1.438 120.139 118.700 0.002 0.000 2.411 761 N HA 0.169 4.909 4.740 0.000 0.000 0.261 761 N C -0.037 175.464 175.510 -0.015 0.000 1.248 761 N CA 0.909 53.956 53.050 -0.005 0.000 0.885 761 N CB 0.112 38.595 38.487 -0.007 0.000 1.062 761 N HN 0.518 nan 8.380 nan 0.000 0.471 762 M N 2.933 122.528 119.600 -0.008 0.000 2.108 762 M HA 0.273 4.753 4.480 0.000 0.000 0.354 762 M C 0.494 176.725 176.300 -0.115 0.000 1.229 762 M CA -0.039 55.252 55.300 -0.016 0.000 1.081 762 M CB 1.136 33.788 32.600 0.087 0.000 1.606 762 M HN 0.142 nan 8.290 nan 0.000 0.467 763 R N 2.448 122.864 120.500 -0.140 0.000 2.832 763 R HA 0.696 5.036 4.340 0.000 0.000 0.271 763 R C -0.986 175.212 176.300 -0.170 0.000 0.996 763 R CA -0.996 54.971 56.100 -0.223 0.000 0.977 763 R CB 1.971 32.056 30.300 -0.358 0.000 1.168 763 R HN 0.529 nan 8.270 nan 0.000 0.482 764 I N 3.131 123.601 120.570 -0.168 0.000 2.377 764 I HA 0.369 4.539 4.170 0.000 0.000 0.293 764 I C -0.329 175.769 176.117 -0.031 0.000 0.987 764 I CA -0.491 60.770 61.300 -0.066 0.000 1.185 764 I CB 1.380 39.385 38.000 0.007 0.000 1.341 764 I HN 0.405 nan 8.210 nan 0.000 0.455 765 L N 6.582 127.814 121.223 0.014 0.000 2.385 765 L HA 0.548 4.888 4.340 0.000 0.000 0.273 765 L C -0.086 176.813 176.870 0.050 0.000 0.990 765 L CA -0.745 54.113 54.840 0.031 0.000 0.821 765 L CB 2.019 44.101 42.059 0.039 0.000 1.279 765 L HN 0.445 nan 8.230 nan 0.000 0.412 766 R N 4.173 124.699 120.500 0.043 0.000 2.310 766 R HA 0.541 4.881 4.340 0.000 0.000 0.316 766 R C -1.095 175.225 176.300 0.032 0.000 1.004 766 R CA -0.778 55.349 56.100 0.044 0.000 0.900 766 R CB 1.609 31.927 30.300 0.031 0.000 1.152 766 R HN 0.441 nan 8.270 nan 0.000 0.513 767 M N 4.446 124.067 119.600 0.037 0.000 2.209 767 M HA 0.306 4.786 4.480 0.000 0.000 0.355 767 M C -2.163 174.143 176.300 0.010 0.000 1.171 767 M CA -3.149 52.161 55.300 0.018 0.000 1.069 767 M CB 1.294 33.903 32.600 0.015 0.000 1.622 767 M HN 0.172 nan 8.290 nan 0.000 0.459 768 P HA 0.146 nan 4.420 nan 0.000 0.247 768 P C 0.740 178.012 177.300 -0.047 0.000 1.756 768 P CA -0.263 62.814 63.100 -0.039 0.000 1.117 768 P CB 0.058 31.695 31.700 -0.105 0.000 1.869 769 I N 2.667 123.201 120.570 -0.060 0.000 2.208 769 I HA -0.203 3.968 4.170 0.000 0.000 0.245 769 I C 2.363 178.487 176.117 0.011 0.000 1.097 769 I CA 2.205 63.442 61.300 -0.106 0.000 1.363 769 I CB -2.050 35.568 38.000 -0.637 0.000 1.051 769 I HN 0.256 nan 8.210 nan 0.000 0.413 770 T N -1.277 113.301 114.554 0.040 0.000 3.007 770 T HA -0.042 4.308 4.350 0.000 0.000 0.270 770 T C 1.855 176.566 174.700 0.019 0.000 1.107 770 T CA 0.814 62.986 62.100 0.120 0.000 1.118 770 T CB -0.378 68.593 68.868 0.172 0.000 0.889 770 T HN 0.291 nan 8.240 nan 0.000 0.506 771 L N -0.405 120.760 121.223 -0.097 0.000 2.200 771 L HA 0.302 4.642 4.340 0.000 0.000 0.200 771 L C 2.660 179.490 176.870 -0.066 0.000 1.072 771 L CA 0.390 55.068 54.840 -0.270 0.000 0.787 771 L CB -0.449 41.128 42.059 -0.804 0.000 0.957 771 L HN 0.180 nan 8.230 nan 0.000 0.459 772 L N 0.555 121.758 121.223 -0.033 0.000 2.131 772 L HA -0.228 4.112 4.340 0.000 0.000 0.210 772 L C 2.651 179.491 176.870 -0.049 0.000 1.092 772 L CA 1.285 56.150 54.840 0.042 0.000 0.759 772 L CB -0.535 41.601 42.059 0.129 0.000 0.903 772 L HN 0.303 nan 8.230 nan 0.000 0.435 773 K N 0.486 120.823 120.400 -0.104 0.000 2.211 773 K HA -0.228 4.092 4.320 0.000 0.000 0.204 773 K C 1.851 178.298 176.600 -0.255 0.000 1.047 773 K CA 1.388 57.459 56.287 -0.360 0.000 0.935 773 K CB 0.037 32.404 32.500 -0.222 0.000 0.728 773 K HN 0.460 nan 8.250 nan 0.000 0.452 774 Q N -0.253 119.497 119.800 -0.083 0.000 2.451 774 Q HA -0.025 4.315 4.340 0.000 0.000 0.206 774 Q C 1.107 177.079 176.000 -0.046 0.000 0.947 774 Q CA 0.631 56.411 55.803 -0.038 0.000 0.937 774 Q CB 0.322 29.114 28.738 0.090 0.000 1.025 774 Q HN 0.233 nan 8.270 nan 0.000 0.511 775 K N 0.080 120.448 120.400 -0.053 0.000 2.426 775 K HA 0.072 4.392 4.320 0.000 0.000 0.193 775 K C 1.538 178.079 176.600 -0.097 0.000 1.028 775 K CA 0.130 56.385 56.287 -0.053 0.000 1.047 775 K CB 0.351 32.840 32.500 -0.019 0.000 0.821 775 K HN 0.159 nan 8.250 nan 0.000 0.513 776 L N 0.115 121.243 121.223 -0.158 0.000 2.007 776 L HA -0.058 4.282 4.340 0.000 0.000 0.205 776 L C 0.964 177.771 176.870 -0.105 0.000 1.073 776 L CA 1.071 55.820 54.840 -0.151 0.000 0.744 776 L CB -0.171 41.754 42.059 -0.223 0.000 0.898 776 L HN 0.059 nan 8.230 nan 0.000 0.435 777 T N 0.000 114.480 114.554 -0.123 0.000 3.816 777 T HA 0.000 4.350 4.350 0.000 0.000 0.228 777 T CA 0.000 62.041 62.100 -0.098 0.000 1.349 777 T CB 0.000 68.803 68.868 -0.109 0.000 0.612 777 T HN 0.000 nan 8.240 nan 0.000 0.658