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 2ebs_1_A DATA FIRST_RESID 4 DATA SEQUENCE YEFKNVAIGG GGYITGIVAH PKTKDLLYAR TDIGGAYRWD AGTSKWIPLN DATA SEQUENCE DFIEAQDMNI MGTESIALDP NNPDRLYLAQ GRYVGDEWAA FYVSEDRGQS DATA SEQUENCE FTIYESPFPM GANDMGRNNG ERLAVNPFNS NEVWMGTRTE GIWKSSDRAK DATA SEQUENCE TWTNVTSIPD AFTNGIGYTS VIFDPERNGT IYASATAPQG MYVTHDGGVS DATA SEQUENCE WEPVAGQPSS WLNRTTGAFP DKKPASIAPQ PMKVALTPNF LYVTYADYPG DATA SEQUENCE PWGVTFGEVW RQNRTSGAWD DITPRVGNSS PAPYNNQTFP AGGFCGLSVD DATA SEQUENCE ATNPNRLVVI TLDRDPGPAL DSIYLSTDAG ATWKDVTQLS SPSNLEGNWG DATA SEQUENCE HPTNAARYKD GTPVPWLDFN NGPQWGGYGA PHGTPGLTKF GWWMSAVLID DATA SEQUENCE PFNPEHLMYG TGATIWATDT LSRVEKDWAP SWYLQIDGIE ENAILSLRSP DATA SEQUENCE KSGAALLSGI GNISGMKHDD LTKPQKMFGA PQFSNLDSID AAGNFPNVVV DATA SEQUENCE RAGSSGHEYD SAcARGAYAT DGGDAWTIFP TcPPGMNASH YQGSTIAVDA DATA SEQUENCE SGSQIVWSTK LDEQASGPWY SHDYGKTWSV PAGDLKAQTA NVLSDKVQDG DATA SEQUENCE TFYATDGGKF FVSTDGGKSY AAKGAGLVTG TSLMPAVNPW VAGDVWVPVP DATA SEQUENCE EGGLFHSTDF GASFTRVGTA NATLVSVGAP KXXXXXXXXX APSAVFIWGT DATA SEQUENCE DKPGSDIGLY RSDDNGSTWT RVNDQEHNYS GPTMIEADPK VYGRVYLGTN DATA SEQUENCE GRGIVYADLT NXXXXEEKST AKcANGQKGT HcY 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 4 Y HA 0.000 nan 4.550 nan 0.000 0.201 4 Y C 0.000 175.832 175.900 -0.113 0.000 1.272 4 Y CA 0.000 58.029 58.100 -0.118 0.000 1.940 4 Y CB 0.000 38.383 38.460 -0.128 0.000 1.050 5 E N 3.344 123.547 120.200 0.006 0.000 2.187 5 E HA 0.502 4.856 4.350 0.005 0.000 0.268 5 E C -1.635 174.835 176.600 -0.217 0.000 0.896 5 E CA -0.798 55.587 56.400 -0.026 0.000 0.766 5 E CB 1.443 31.121 29.700 -0.038 0.000 1.142 5 E HN 0.427 nan 8.360 nan 0.000 0.408 6 F N 2.895 122.793 119.950 -0.087 0.000 2.415 6 F HA 0.395 4.925 4.527 0.005 0.000 0.348 6 F C 0.565 176.275 175.800 -0.151 0.000 1.119 6 F CA -0.389 57.546 58.000 -0.110 0.000 1.069 6 F CB 1.207 40.258 39.000 0.085 0.000 1.124 6 F HN 0.092 nan 8.300 nan 0.000 0.472 7 K N 1.735 121.958 120.400 -0.295 0.000 2.395 7 K HA 0.433 4.756 4.320 0.005 0.000 0.245 7 K C -1.153 175.324 176.600 -0.205 0.000 1.017 7 K CA -1.307 54.817 56.287 -0.271 0.000 0.852 7 K CB 1.947 34.180 32.500 -0.446 0.000 1.311 7 K HN 0.423 nan 8.250 nan 0.000 0.452 8 N N -0.052 118.651 118.700 0.005 0.000 2.518 8 N HA 0.175 4.918 4.740 0.005 0.000 0.283 8 N C -0.906 174.776 175.510 0.286 0.000 1.119 8 N CA -0.439 52.679 53.050 0.112 0.000 0.983 8 N CB 1.129 39.686 38.487 0.118 0.000 1.139 8 N HN 0.141 nan 8.380 nan 0.000 0.465 9 V N 1.775 121.876 119.914 0.312 0.000 2.599 9 V HA 0.153 4.276 4.120 0.005 0.000 0.300 9 V C 0.498 176.685 176.094 0.155 0.000 1.034 9 V CA -0.410 62.005 62.300 0.191 0.000 1.115 9 V CB 0.254 32.023 31.823 -0.090 0.000 0.934 9 V HN 0.773 nan 8.190 nan 0.000 0.485 10 A N 6.212 129.146 122.820 0.190 0.000 2.451 10 A HA 0.569 4.892 4.320 0.005 0.000 0.266 10 A C 0.638 178.358 177.584 0.227 0.000 1.119 10 A CA -0.048 52.118 52.037 0.215 0.000 0.786 10 A CB -0.043 19.090 19.000 0.221 0.000 1.061 10 A HN 0.844 nan 8.150 nan 0.000 0.503 11 I N 1.639 122.354 120.570 0.242 0.000 3.878 11 I HA 0.351 4.524 4.170 0.005 0.000 0.273 11 I C 1.118 177.553 176.117 0.530 0.000 1.165 11 I CA 0.610 62.081 61.300 0.285 0.000 1.360 11 I CB 0.250 38.268 38.000 0.031 0.000 1.539 11 I HN 0.879 nan 8.210 nan 0.000 0.447 12 G N 1.625 110.668 108.800 0.404 0.000 2.943 12 G HA2 0.241 4.204 3.960 0.005 0.000 0.250 12 G HA3 0.241 4.204 3.960 0.005 0.000 0.250 12 G C 0.495 175.616 174.900 0.367 0.000 0.996 12 G CA -0.119 45.236 45.100 0.425 0.000 1.248 12 G HN 0.940 nan 8.290 nan 0.000 0.589 13 G N 0.655 109.575 108.800 0.200 0.000 3.487 13 G HA2 0.341 4.305 3.960 0.005 0.000 0.295 13 G HA3 0.341 4.305 3.960 0.005 0.000 0.295 13 G C 1.626 176.615 174.900 0.150 0.000 1.454 13 G CA 2.558 47.727 45.100 0.115 0.000 1.039 13 G HN 2.806 nan 8.290 nan 0.000 0.624 14 G N -0.988 107.974 108.800 0.269 0.000 2.241 14 G HA2 0.332 4.295 3.960 0.005 0.000 0.244 14 G HA3 0.332 4.295 3.960 0.005 0.000 0.244 14 G C 1.600 176.588 174.900 0.146 0.000 0.998 14 G CA 1.202 46.369 45.100 0.112 0.000 0.621 14 G HN 2.508 nan 8.290 nan 0.000 0.519 15 G N -1.542 107.354 108.800 0.160 0.000 3.086 15 G HA2 0.572 4.535 3.960 0.005 0.000 0.282 15 G HA3 0.572 4.535 3.960 0.005 0.000 0.282 15 G C -1.230 173.819 174.900 0.248 0.000 1.343 15 G CA -0.388 44.829 45.100 0.196 0.000 0.895 15 G HN 0.809 nan 8.290 nan 0.000 0.557 16 Y N 1.591 121.973 120.300 0.137 0.000 2.404 16 Y HA 0.444 4.997 4.550 0.005 0.000 0.344 16 Y C 0.215 176.178 175.900 0.106 0.000 0.995 16 Y CA -1.991 56.216 58.100 0.179 0.000 1.201 16 Y CB 0.232 38.902 38.460 0.351 0.000 1.151 16 Y HN 0.112 nan 8.280 nan 0.000 0.517 17 I N 7.336 127.908 120.570 0.003 0.000 2.379 17 I HA 0.039 4.212 4.170 0.005 0.000 0.290 17 I C 1.196 177.047 176.117 -0.443 0.000 1.063 17 I CA 0.138 61.311 61.300 -0.212 0.000 1.351 17 I CB 0.585 38.502 38.000 -0.138 0.000 1.410 17 I HN 0.730 nan 8.210 nan 0.000 0.505 18 T N 1.473 115.741 114.554 -0.477 0.000 3.086 18 T HA 0.358 4.711 4.350 0.005 0.000 0.250 18 T C 0.714 175.302 174.700 -0.188 0.000 1.074 18 T CA -0.108 61.709 62.100 -0.473 0.000 0.988 18 T CB 0.408 69.011 68.868 -0.443 0.000 0.988 18 T HN 0.779 nan 8.240 nan 0.000 0.530 19 G N 0.712 109.441 108.800 -0.119 0.000 2.657 19 G HA2 0.527 4.491 3.960 0.005 0.000 0.303 19 G HA3 0.527 4.491 3.960 0.005 0.000 0.303 19 G C -1.687 173.214 174.900 0.002 0.000 1.457 19 G CA -0.993 44.092 45.100 -0.025 0.000 0.982 19 G HN 0.343 nan 8.290 nan 0.000 0.583 20 I N 1.509 122.113 120.570 0.057 0.000 2.466 20 I HA 0.582 4.755 4.170 0.005 0.000 0.289 20 I C -0.452 175.767 176.117 0.170 0.000 1.026 20 I CA -1.192 60.175 61.300 0.111 0.000 1.078 20 I CB 2.310 40.371 38.000 0.101 0.000 1.249 20 I HN 0.228 nan 8.210 nan 0.000 0.429 21 V N 4.691 124.753 119.914 0.247 0.000 2.709 21 V HA 0.828 4.951 4.120 0.005 0.000 0.308 21 V C -0.261 176.030 176.094 0.328 0.000 1.062 21 V CA -0.524 61.936 62.300 0.265 0.000 0.901 21 V CB 1.918 33.902 31.823 0.268 0.000 1.003 21 V HN 0.827 nan 8.190 nan 0.000 0.425 22 A N 2.380 125.367 122.820 0.279 0.000 2.386 22 A HA 0.673 4.996 4.320 0.005 0.000 0.311 22 A C -0.696 177.071 177.584 0.305 0.000 1.068 22 A CA -0.587 51.628 52.037 0.297 0.000 0.743 22 A CB 1.080 20.231 19.000 0.253 0.000 1.258 22 A HN 0.921 nan 8.150 nan 0.000 0.429 23 H N 3.793 123.034 119.070 0.285 0.000 2.803 23 H HA 0.164 4.724 4.556 0.005 0.000 0.330 23 H C -1.553 173.962 175.328 0.311 0.000 1.057 23 H CA -1.065 55.145 56.048 0.270 0.000 1.458 23 H CB 1.539 31.443 29.762 0.236 0.000 1.470 23 H HN 0.397 nan 8.280 nan 0.000 0.560 24 P HA -0.055 nan 4.420 nan 0.000 0.226 24 P C 0.430 177.973 177.300 0.405 0.000 1.153 24 P CA 1.247 64.422 63.100 0.125 0.000 0.777 24 P CB 0.527 32.200 31.700 -0.045 0.000 0.794 25 K N -2.050 118.754 120.400 0.674 0.000 2.474 25 K HA 0.152 4.476 4.320 0.005 0.000 0.204 25 K C 0.075 176.933 176.600 0.431 0.000 1.220 25 K CA 0.338 56.996 56.287 0.619 0.000 0.966 25 K CB 0.817 33.579 32.500 0.437 0.000 1.049 25 K HN -0.043 nan 8.250 nan 0.000 0.554 26 T N 2.154 116.873 114.554 0.274 0.000 2.772 26 T HA 0.176 4.529 4.350 0.005 0.000 0.288 26 T C -0.655 173.785 174.700 -0.432 0.000 0.994 26 T CA -0.525 61.471 62.100 -0.174 0.000 0.951 26 T CB 1.710 70.456 68.868 -0.203 0.000 0.933 26 T HN 0.006 nan 8.240 nan 0.000 0.447 27 K N 2.610 122.430 120.400 -0.967 0.000 2.448 27 K HA 0.017 4.340 4.320 0.005 0.000 0.278 27 K C 0.013 176.453 176.600 -0.268 0.000 1.009 27 K CA 0.162 55.900 56.287 -0.916 0.000 0.995 27 K CB 0.236 32.228 32.500 -0.847 0.000 0.917 27 K HN 0.605 nan 8.250 nan 0.000 0.481 28 D N 1.133 121.493 120.400 -0.067 0.000 3.028 28 D HA -0.219 4.424 4.640 0.005 0.000 0.207 28 D C -0.417 175.943 176.300 0.100 0.000 1.100 28 D CA 0.829 54.869 54.000 0.067 0.000 0.995 28 D CB -0.742 40.102 40.800 0.074 0.000 1.108 28 D HN 0.496 nan 8.370 nan 0.000 0.421 29 L N 1.265 122.523 121.223 0.059 0.000 2.334 29 L HA 0.299 4.642 4.340 0.005 0.000 0.286 29 L C -0.616 176.335 176.870 0.135 0.000 1.108 29 L CA -0.110 54.770 54.840 0.067 0.000 0.875 29 L CB 0.190 42.304 42.059 0.091 0.000 1.246 29 L HN -0.102 nan 8.230 nan 0.000 0.439 30 L N 4.974 126.220 121.223 0.039 0.000 2.408 30 L HA 0.516 4.860 4.340 0.005 0.000 0.268 30 L C -0.972 175.961 176.870 0.105 0.000 0.986 30 L CA -0.221 54.714 54.840 0.158 0.000 0.820 30 L CB 2.117 44.252 42.059 0.127 0.000 1.303 30 L HN 0.254 nan 8.230 nan 0.000 0.411 31 Y N 1.161 121.747 120.300 0.476 0.000 2.562 31 Y HA 0.866 5.419 4.550 0.005 0.000 0.343 31 Y C 0.091 176.203 175.900 0.353 0.000 1.025 31 Y CA -0.953 57.444 58.100 0.495 0.000 1.082 31 Y CB 2.211 40.878 38.460 0.344 0.000 1.264 31 Y HN 0.603 nan 8.280 nan 0.000 0.478 32 A N 2.089 125.105 122.820 0.328 0.000 2.435 32 A HA 0.884 5.207 4.320 0.005 0.000 0.304 32 A C -1.063 176.557 177.584 0.060 0.000 1.064 32 A CA -1.027 50.996 52.037 -0.024 0.000 0.727 32 A CB 1.454 20.078 19.000 -0.627 0.000 1.284 32 A HN 0.846 nan 8.150 nan 0.000 0.415 33 R N -0.105 120.393 120.500 -0.004 0.000 2.832 33 R HA 0.877 5.220 4.340 0.005 0.000 0.271 33 R C -0.684 175.568 176.300 -0.080 0.000 0.996 33 R CA -0.184 55.910 56.100 -0.010 0.000 0.977 33 R CB 1.753 32.043 30.300 -0.017 0.000 1.168 33 R HN 0.742 nan 8.270 nan 0.000 0.482 34 T N -2.084 112.432 114.554 -0.064 0.000 2.903 34 T HA 0.179 4.532 4.350 0.005 0.000 0.299 34 T C 0.136 174.787 174.700 -0.081 0.000 1.093 34 T CA -0.642 61.411 62.100 -0.078 0.000 1.002 34 T CB 1.771 70.647 68.868 0.014 0.000 1.127 34 T HN 0.691 nan 8.240 nan 0.000 0.488 35 D N 1.525 121.890 120.400 -0.059 0.000 2.144 35 D HA -0.079 4.564 4.640 0.005 0.000 0.200 35 D C 1.495 177.763 176.300 -0.053 0.000 0.978 35 D CA 1.426 55.405 54.000 -0.035 0.000 0.833 35 D CB -0.372 40.482 40.800 0.091 0.000 0.961 35 D HN 0.789 nan 8.370 nan 0.000 0.470 36 I N -4.887 115.683 120.570 -0.000 0.000 4.147 36 I HA 0.576 4.749 4.170 0.005 0.000 0.329 36 I C 1.090 177.201 176.117 -0.010 0.000 1.424 36 I CA -0.355 60.937 61.300 -0.014 0.000 1.127 36 I CB 1.144 39.172 38.000 0.047 0.000 1.128 36 I HN -0.008 nan 8.210 nan 0.000 0.417 37 G N 0.466 109.267 108.800 0.001 0.000 4.424 37 G HA2 0.550 4.513 3.960 0.005 0.000 0.287 37 G HA3 0.550 4.513 3.960 0.005 0.000 0.287 37 G C 0.672 175.564 174.900 -0.014 0.000 1.023 37 G CA 0.108 45.225 45.100 0.029 0.000 0.790 37 G HN 0.713 nan 8.290 nan 0.000 0.468 38 G N 0.247 108.992 108.800 -0.091 0.000 2.564 38 G HA2 0.262 4.225 3.960 0.005 0.000 0.273 38 G HA3 0.262 4.225 3.960 0.005 0.000 0.273 38 G C 0.415 175.261 174.900 -0.090 0.000 1.242 38 G CA 0.032 45.036 45.100 -0.159 0.000 0.951 38 G HN 1.596 nan 8.290 nan 0.000 0.564 39 A N -1.343 121.396 122.820 -0.135 0.000 2.330 39 A HA 0.898 5.221 4.320 0.005 0.000 0.329 39 A C -1.092 176.467 177.584 -0.041 0.000 1.135 39 A CA -0.373 51.679 52.037 0.025 0.000 0.817 39 A CB 1.421 20.468 19.000 0.079 0.000 1.269 39 A HN 1.314 nan 8.150 nan 0.000 0.469 40 Y N -0.514 119.914 120.300 0.214 0.000 2.524 40 Y HA 0.622 5.176 4.550 0.005 0.000 0.347 40 Y C 0.208 176.432 175.900 0.541 0.000 1.005 40 Y CA -0.515 57.779 58.100 0.325 0.000 1.025 40 Y CB 2.075 40.673 38.460 0.230 0.000 1.275 40 Y HN 0.821 nan 8.280 nan 0.000 0.460 41 R N 2.609 123.494 120.500 0.641 0.000 2.532 41 R HA 0.269 4.612 4.340 0.005 0.000 0.295 41 R C -1.123 175.395 176.300 0.364 0.000 0.968 41 R CA -0.613 55.695 56.100 0.346 0.000 0.916 41 R CB 1.141 31.505 30.300 0.106 0.000 1.124 41 R HN 0.895 nan 8.270 nan 0.000 0.463 42 W N 5.323 126.534 121.300 -0.148 0.000 2.261 42 W HA 0.147 4.810 4.660 0.005 0.000 0.323 42 W C -1.068 175.251 176.519 -0.333 0.000 1.243 42 W CA -0.098 56.911 57.345 -0.560 0.000 1.210 42 W CB 1.153 30.098 29.460 -0.858 0.000 1.149 42 W HN 0.546 nan 8.180 nan 0.000 0.562 43 D N 4.378 124.110 120.400 -1.114 0.000 2.461 43 D HA 0.326 4.969 4.640 0.005 0.000 0.240 43 D C 0.848 176.389 176.300 -1.264 0.000 1.094 43 D CA -0.029 53.431 54.000 -0.899 0.000 0.868 43 D CB 1.686 42.154 40.800 -0.554 0.000 1.062 43 D HN 0.492 nan 8.370 nan 0.000 0.530 44 A N 3.161 125.488 122.820 -0.822 0.000 1.972 44 A HA -0.037 4.286 4.320 0.005 0.000 0.219 44 A C 1.980 179.368 177.584 -0.327 0.000 1.169 44 A CA 1.719 53.500 52.037 -0.428 0.000 0.635 44 A CB -0.447 18.519 19.000 -0.056 0.000 0.810 44 A HN 0.608 nan 8.150 nan 0.000 0.446 45 G N -0.450 108.167 108.800 -0.304 0.000 2.421 45 G HA2 -0.181 3.782 3.960 0.005 0.000 0.216 45 G HA3 -0.181 3.782 3.960 0.005 0.000 0.216 45 G C 1.579 176.346 174.900 -0.221 0.000 1.171 45 G CA 1.916 46.889 45.100 -0.212 0.000 0.775 45 G HN 0.744 nan 8.290 nan 0.000 0.543 46 T N -3.055 111.317 114.554 -0.303 0.000 3.069 46 T HA 0.324 4.678 4.350 0.005 0.000 0.252 46 T C 1.078 175.574 174.700 -0.339 0.000 1.053 46 T CA 0.843 62.786 62.100 -0.261 0.000 0.964 46 T CB 0.143 68.881 68.868 -0.216 0.000 1.005 46 T HN 0.288 nan 8.240 nan 0.000 0.532 47 S N 0.917 116.286 115.700 -0.553 0.000 3.682 47 S HA -0.132 4.341 4.470 0.005 0.000 0.354 47 S C -0.268 173.885 174.600 -0.746 0.000 1.034 47 S CA 0.591 58.389 58.200 -0.669 0.000 1.084 47 S CB -1.565 61.550 63.200 -0.141 0.000 0.903 47 S HN 0.768 nan 8.310 nan 0.000 0.470 48 K N -0.631 119.182 120.400 -0.979 0.000 2.464 48 K HA 0.459 4.782 4.320 0.005 0.000 0.253 48 K C -0.752 175.548 176.600 -0.500 0.000 0.933 48 K CA -0.683 55.303 56.287 -0.501 0.000 0.801 48 K CB 1.273 33.633 32.500 -0.233 0.000 1.271 48 K HN 0.196 nan 8.250 nan 0.000 0.430 49 W N 2.765 124.070 121.300 0.009 0.000 2.218 49 W HA 0.358 5.021 4.660 0.005 0.000 0.326 49 W C 0.028 176.679 176.519 0.221 0.000 1.276 49 W CA -0.322 57.128 57.345 0.176 0.000 1.210 49 W CB 0.356 29.902 29.460 0.144 0.000 1.143 49 W HN 0.252 nan 8.180 nan 0.000 0.563 50 I N 5.679 126.568 120.570 0.531 0.000 2.382 50 I HA 0.229 4.402 4.170 0.005 0.000 0.286 50 I C -1.869 174.440 176.117 0.320 0.000 1.002 50 I CA -2.490 59.014 61.300 0.341 0.000 1.135 50 I CB 1.350 39.444 38.000 0.158 0.000 1.288 50 I HN 0.001 nan 8.210 nan 0.000 0.448 51 P HA 0.085 nan 4.420 nan 0.000 0.268 51 P C 0.023 177.222 177.300 -0.170 0.000 1.205 51 P CA 0.105 62.949 63.100 -0.426 0.000 0.771 51 P CB 1.146 32.669 31.700 -0.295 0.000 0.858 52 L N 1.924 123.031 121.223 -0.194 0.000 2.858 52 L HA 0.275 4.618 4.340 0.005 0.000 0.251 52 L C 0.837 177.654 176.870 -0.089 0.000 1.149 52 L CA 0.382 55.261 54.840 0.066 0.000 0.955 52 L CB -0.239 42.010 42.059 0.317 0.000 1.289 52 L HN 0.329 nan 8.230 nan 0.000 0.542 53 N N -0.912 117.528 118.700 -0.432 0.000 2.305 53 N HA 0.031 4.774 4.740 0.005 0.000 0.248 53 N C 0.149 175.077 175.510 -0.971 0.000 1.290 53 N CA -0.190 52.339 53.050 -0.868 0.000 0.873 53 N CB 0.715 38.903 38.487 -0.499 0.000 1.261 53 N HN -0.002 nan 8.380 nan 0.000 0.504 54 D N 0.468 120.436 120.400 -0.720 0.000 2.378 54 D HA -0.086 4.558 4.640 0.005 0.000 0.222 54 D C 1.311 177.264 176.300 -0.578 0.000 0.980 54 D CA 0.644 54.272 54.000 -0.620 0.000 0.907 54 D CB -0.001 40.411 40.800 -0.646 0.000 0.899 54 D HN 0.472 nan 8.370 nan 0.000 0.527 55 F N 0.139 119.958 119.950 -0.219 0.000 2.407 55 F HA 0.132 4.662 4.527 0.005 0.000 0.299 55 F C 1.046 176.803 175.800 -0.072 0.000 1.097 55 F CA -0.475 57.429 58.000 -0.160 0.000 1.422 55 F CB -1.115 37.818 39.000 -0.111 0.000 1.067 55 F HN -0.224 nan 8.300 nan 0.000 0.539 56 I N 2.423 122.947 120.570 -0.077 0.000 2.826 56 I HA -0.094 4.079 4.170 0.005 0.000 0.295 56 I C 0.500 176.686 176.117 0.114 0.000 1.213 56 I CA 0.595 61.958 61.300 0.105 0.000 1.436 56 I CB 0.165 38.154 38.000 -0.020 0.000 1.348 56 I HN 0.250 nan 8.210 nan 0.000 0.570 57 E N 4.333 124.648 120.200 0.192 0.000 2.349 57 E HA 0.256 4.609 4.350 0.005 0.000 0.262 57 E C 0.902 177.610 176.600 0.179 0.000 1.088 57 E CA -0.241 56.276 56.400 0.195 0.000 0.899 57 E CB 0.925 30.742 29.700 0.195 0.000 1.044 57 E HN 0.725 nan 8.360 nan 0.000 0.420 58 A N 1.982 124.938 122.820 0.226 0.000 1.908 58 A HA -0.291 4.032 4.320 0.005 0.000 0.218 58 A C 2.032 179.704 177.584 0.146 0.000 1.181 58 A CA 2.046 54.191 52.037 0.179 0.000 0.627 58 A CB -0.770 18.410 19.000 0.300 0.000 0.818 58 A HN 0.769 nan 8.150 nan 0.000 0.445 59 Q N -1.268 118.615 119.800 0.139 0.000 2.439 59 Q HA -0.118 4.225 4.340 0.005 0.000 0.211 59 Q C -0.231 175.863 176.000 0.157 0.000 0.978 59 Q CA 1.444 57.300 55.803 0.087 0.000 0.897 59 Q CB -0.169 28.537 28.738 -0.053 0.000 0.956 59 Q HN 0.466 nan 8.270 nan 0.000 0.483 60 D N 0.164 120.685 120.400 0.201 0.000 2.593 60 D HA 0.115 4.758 4.640 0.005 0.000 0.241 60 D C 0.956 177.323 176.300 0.111 0.000 1.257 60 D CA -0.168 53.985 54.000 0.255 0.000 0.828 60 D CB 0.205 41.235 40.800 0.384 0.000 1.049 60 D HN 0.320 nan 8.370 nan 0.000 0.490 61 M N 0.585 120.235 119.600 0.084 0.000 2.108 61 M HA -0.223 4.260 4.480 0.005 0.000 0.257 61 M C 0.905 177.195 176.300 -0.016 0.000 1.071 61 M CA 1.496 56.815 55.300 0.033 0.000 1.093 61 M CB 0.117 32.743 32.600 0.043 0.000 1.345 61 M HN -0.153 nan 8.290 nan 0.000 0.403 62 N N 0.695 119.389 118.700 -0.010 0.000 2.520 62 N HA -0.053 4.690 4.740 0.005 0.000 0.185 62 N C 1.282 176.659 175.510 -0.222 0.000 1.068 62 N CA 0.849 53.855 53.050 -0.074 0.000 0.911 62 N CB -0.317 38.180 38.487 0.016 0.000 0.961 62 N HN 0.449 nan 8.380 nan 0.000 0.446 63 I N -0.090 120.334 120.570 -0.243 0.000 2.928 63 I HA -0.009 4.164 4.170 0.005 0.000 0.266 63 I C 0.913 176.841 176.117 -0.315 0.000 1.234 63 I CA 0.269 61.346 61.300 -0.372 0.000 1.483 63 I CB -0.788 36.988 38.000 -0.374 0.000 1.097 63 I HN 0.098 nan 8.210 nan 0.000 0.455 64 M N 1.990 121.464 119.600 -0.210 0.000 3.011 64 M HA 0.488 4.971 4.480 0.005 0.000 0.292 64 M C -0.052 176.132 176.300 -0.194 0.000 1.440 64 M CA -0.012 55.175 55.300 -0.188 0.000 1.552 64 M CB -0.577 31.955 32.600 -0.114 0.000 1.187 64 M HN 0.137 nan 8.290 nan 0.000 0.520 65 G N 1.861 110.515 108.800 -0.243 0.000 2.093 65 G HA2 0.267 4.230 3.960 0.005 0.000 0.298 65 G HA3 0.267 4.230 3.960 0.005 0.000 0.298 65 G C -1.285 173.457 174.900 -0.264 0.000 1.713 65 G CA -0.952 44.013 45.100 -0.226 0.000 0.907 65 G HN 0.349 nan 8.290 nan 0.000 0.702 66 T N 1.722 116.152 114.554 -0.206 0.000 2.743 66 T HA 0.341 4.694 4.350 0.005 0.000 0.292 66 T C 1.212 175.814 174.700 -0.163 0.000 0.972 66 T CA -0.196 61.782 62.100 -0.203 0.000 0.967 66 T CB 2.067 70.851 68.868 -0.141 0.000 0.926 66 T HN 0.730 nan 8.240 nan 0.000 0.459 67 E N 2.965 123.055 120.200 -0.183 0.000 2.112 67 E HA 0.046 4.399 4.350 0.005 0.000 0.190 67 E C 0.593 177.153 176.600 -0.066 0.000 0.979 67 E CA 0.435 56.754 56.400 -0.135 0.000 0.814 67 E CB 0.361 29.962 29.700 -0.164 0.000 0.762 67 E HN 0.477 nan 8.360 nan 0.000 0.460 68 S N -1.243 114.435 115.700 -0.038 0.000 2.537 68 S HA 0.509 4.983 4.470 0.005 0.000 0.271 68 S C -1.558 173.092 174.600 0.083 0.000 1.148 68 S CA -0.879 57.347 58.200 0.044 0.000 0.868 68 S CB 0.734 63.993 63.200 0.099 0.000 1.115 68 S HN 0.206 nan 8.310 nan 0.000 0.461 69 I N 2.626 123.266 120.570 0.117 0.000 2.509 69 I HA 0.747 4.920 4.170 0.005 0.000 0.293 69 I C -0.159 176.074 176.117 0.194 0.000 1.020 69 I CA -0.717 60.669 61.300 0.144 0.000 1.088 69 I CB 1.929 40.004 38.000 0.124 0.000 1.267 69 I HN 0.705 nan 8.210 nan 0.000 0.430 70 A N 7.339 130.308 122.820 0.248 0.000 2.374 70 A HA 0.826 5.149 4.320 0.005 0.000 0.305 70 A C -0.981 176.795 177.584 0.320 0.000 1.053 70 A CA -0.498 51.707 52.037 0.281 0.000 0.726 70 A CB 1.118 20.297 19.000 0.297 0.000 1.229 70 A HN 0.644 nan 8.150 nan 0.000 0.431 71 L N 1.364 122.746 121.223 0.265 0.000 2.344 71 L HA 0.470 4.813 4.340 0.005 0.000 0.272 71 L C -0.488 176.540 176.870 0.264 0.000 1.035 71 L CA -0.966 54.046 54.840 0.287 0.000 0.807 71 L CB 1.688 43.929 42.059 0.304 0.000 1.237 71 L HN 0.729 nan 8.230 nan 0.000 0.442 72 D N 3.323 123.908 120.400 0.310 0.000 2.359 72 D HA 0.196 4.839 4.640 0.005 0.000 0.230 72 D C -1.694 174.742 176.300 0.226 0.000 1.118 72 D CA -2.220 51.921 54.000 0.236 0.000 0.844 72 D CB 1.782 42.750 40.800 0.279 0.000 1.059 72 D HN 0.168 nan 8.370 nan 0.000 0.493 73 P HA -0.123 nan 4.420 nan 0.000 0.218 73 P C 0.509 177.893 177.300 0.141 0.000 1.148 73 P CA 0.897 63.962 63.100 -0.057 0.000 0.822 73 P CB 0.468 32.115 31.700 -0.087 0.000 0.784 74 N N -0.651 118.118 118.700 0.114 0.000 2.299 74 N HA 0.038 4.781 4.740 0.005 0.000 0.187 74 N C 0.121 175.704 175.510 0.123 0.000 1.099 74 N CA 0.366 53.476 53.050 0.099 0.000 0.867 74 N CB 0.090 38.585 38.487 0.014 0.000 0.974 74 N HN 0.244 nan 8.380 nan 0.000 0.477 75 N N 1.172 119.977 118.700 0.176 0.000 2.690 75 N HA 0.157 4.900 4.740 0.005 0.000 0.255 75 N C -2.224 173.356 175.510 0.116 0.000 1.195 75 N CA -0.875 52.243 53.050 0.113 0.000 0.790 75 N CB 2.364 40.907 38.487 0.093 0.000 1.216 75 N HN -0.013 nan 8.380 nan 0.000 0.528 76 P HA -0.059 nan 4.420 nan 0.000 0.228 76 P C 0.277 177.528 177.300 -0.081 0.000 1.151 76 P CA 1.035 63.943 63.100 -0.319 0.000 0.770 76 P CB 0.532 31.911 31.700 -0.535 0.000 0.786 77 D N -0.706 119.678 120.400 -0.026 0.000 2.348 77 D HA 0.033 4.676 4.640 0.005 0.000 0.211 77 D C 0.929 177.224 176.300 -0.008 0.000 0.998 77 D CA 0.363 54.358 54.000 -0.008 0.000 0.873 77 D CB 0.057 40.841 40.800 -0.026 0.000 0.925 77 D HN 0.265 nan 8.370 nan 0.000 0.524 78 R N 0.420 120.922 120.500 0.003 0.000 2.531 78 R HA 0.549 4.892 4.340 0.005 0.000 0.273 78 R C -0.509 175.741 176.300 -0.084 0.000 1.070 78 R CA -0.591 55.459 56.100 -0.083 0.000 1.112 78 R CB 1.325 31.595 30.300 -0.051 0.000 1.049 78 R HN -0.068 nan 8.270 nan 0.000 0.508 79 L N 2.129 123.187 121.223 -0.275 0.000 2.526 79 L HA 0.386 4.730 4.340 0.005 0.000 0.263 79 L C -1.989 174.728 176.870 -0.254 0.000 0.943 79 L CA -0.488 54.243 54.840 -0.181 0.000 0.859 79 L CB 1.692 43.673 42.059 -0.131 0.000 1.313 79 L HN 0.512 nan 8.230 nan 0.000 0.406 80 Y N 5.337 125.748 120.300 0.185 0.000 2.391 80 Y HA 0.753 5.306 4.550 0.005 0.000 0.341 80 Y C -0.948 175.108 175.900 0.260 0.000 0.965 80 Y CA -0.859 57.413 58.100 0.287 0.000 1.067 80 Y CB 2.020 40.651 38.460 0.286 0.000 1.199 80 Y HN 0.360 nan 8.280 nan 0.000 0.450 81 L N 2.931 124.415 121.223 0.435 0.000 2.356 81 L HA 0.757 5.101 4.340 0.005 0.000 0.277 81 L C -0.290 176.655 176.870 0.127 0.000 0.996 81 L CA -1.194 53.764 54.840 0.197 0.000 0.822 81 L CB 1.732 43.804 42.059 0.022 0.000 1.256 81 L HN 0.769 nan 8.230 nan 0.000 0.413 82 A N 3.971 126.781 122.820 -0.016 0.000 2.252 82 A HA 0.701 5.024 4.320 0.005 0.000 0.309 82 A C -0.404 176.921 177.584 -0.433 0.000 1.285 82 A CA -0.495 51.327 52.037 -0.357 0.000 0.900 82 A CB 0.260 19.111 19.000 -0.249 0.000 1.157 82 A HN 0.599 nan 8.150 nan 0.000 0.536 83 Q N 1.034 120.465 119.800 -0.614 0.000 2.322 83 Q HA 0.669 5.012 4.340 0.005 0.000 0.265 83 Q C -0.219 175.434 176.000 -0.578 0.000 0.985 83 Q CA -0.085 55.333 55.803 -0.641 0.000 0.849 83 Q CB 2.162 30.306 28.738 -0.990 0.000 1.274 83 Q HN 1.336 nan 8.270 nan 0.000 0.449 84 G N 1.525 110.044 108.800 -0.469 0.000 2.226 84 G HA2 0.015 3.979 3.960 0.005 0.000 0.257 84 G HA3 0.015 3.979 3.960 0.005 0.000 0.257 84 G C -0.114 174.561 174.900 -0.375 0.000 1.732 84 G CA -0.772 44.072 45.100 -0.427 0.000 0.914 84 G HN 0.509 nan 8.290 nan 0.000 0.742 85 R N -0.182 120.057 120.500 -0.434 0.000 2.075 85 R HA 0.134 4.477 4.340 0.005 0.000 0.226 85 R C -0.040 175.792 176.300 -0.781 0.000 1.114 85 R CA 1.162 56.841 56.100 -0.703 0.000 0.972 85 R CB 0.081 29.759 30.300 -1.035 0.000 0.869 85 R HN 0.571 nan 8.270 nan 0.000 0.437 86 Y N -1.617 118.642 120.300 -0.069 0.000 2.524 86 Y HA 0.126 4.679 4.550 0.005 0.000 0.347 86 Y C 0.946 176.818 175.900 -0.048 0.000 1.005 86 Y CA -1.215 56.861 58.100 -0.040 0.000 1.025 86 Y CB 1.415 39.867 38.460 -0.014 0.000 1.275 86 Y HN -0.286 nan 8.280 nan 0.000 0.460 87 V N -1.076 118.911 119.914 0.121 0.000 2.913 87 V HA 0.012 4.135 4.120 0.005 0.000 0.260 87 V C 1.542 177.674 176.094 0.064 0.000 1.098 87 V CA 2.086 64.420 62.300 0.057 0.000 1.121 87 V CB -0.934 30.913 31.823 0.040 0.000 0.714 87 V HN 1.008 nan 8.190 nan 0.000 0.487 88 G N -0.140 108.715 108.800 0.092 0.000 2.650 88 G HA2 -0.050 3.913 3.960 0.005 0.000 0.214 88 G HA3 -0.050 3.913 3.960 0.005 0.000 0.214 88 G C 0.317 175.262 174.900 0.074 0.000 1.136 88 G CA 0.130 45.270 45.100 0.067 0.000 0.789 88 G HN 0.545 nan 8.290 nan 0.000 0.536 89 D N 0.202 120.659 120.400 0.095 0.000 2.443 89 D HA -0.013 4.631 4.640 0.005 0.000 0.234 89 D C 1.333 177.682 176.300 0.081 0.000 1.172 89 D CA 0.069 54.120 54.000 0.084 0.000 0.878 89 D CB 0.831 41.644 40.800 0.022 0.000 1.204 89 D HN 0.286 nan 8.370 nan 0.000 0.453 90 E N 0.785 121.058 120.200 0.121 0.000 2.086 90 E HA -0.150 4.203 4.350 0.005 0.000 0.200 90 E C 0.244 176.988 176.600 0.239 0.000 1.012 90 E CA 1.271 57.768 56.400 0.161 0.000 0.812 90 E CB 0.224 30.065 29.700 0.235 0.000 0.743 90 E HN 0.579 nan 8.360 nan 0.000 0.453 91 W N -1.551 119.718 121.300 -0.052 0.000 3.025 91 W HA 0.710 5.373 4.660 0.006 0.000 0.343 91 W C -1.592 174.869 176.519 -0.096 0.000 1.246 91 W CA -0.731 56.564 57.345 -0.084 0.000 1.178 91 W CB 0.295 29.696 29.460 -0.099 0.000 1.463 91 W HN -0.096 nan 8.180 nan 0.000 0.578 92 A N 0.789 123.497 122.820 -0.186 0.000 2.485 92 A HA 1.007 5.330 4.320 0.005 0.000 0.292 92 A C -1.461 175.866 177.584 -0.429 0.000 1.147 92 A CA -0.399 51.356 52.037 -0.471 0.000 0.750 92 A CB 1.381 20.158 19.000 -0.372 0.000 1.331 92 A HN 1.700 nan 8.150 nan 0.000 0.419 93 A N -0.313 122.170 122.820 -0.563 0.000 2.572 93 A HA 0.790 5.113 4.320 0.005 0.000 0.295 93 A C -1.671 175.653 177.584 -0.434 0.000 1.072 93 A CA -0.429 51.427 52.037 -0.302 0.000 0.691 93 A CB 0.836 19.707 19.000 -0.215 0.000 1.291 93 A HN 0.788 nan 8.150 nan 0.000 0.404 94 F N 1.057 121.118 119.950 0.185 0.000 2.427 94 F HA 0.568 5.098 4.527 0.005 0.000 0.346 94 F C -0.752 175.388 175.800 0.567 0.000 1.120 94 F CA -0.136 58.053 58.000 0.315 0.000 1.033 94 F CB 1.511 40.762 39.000 0.418 0.000 1.126 94 F HN 0.430 nan 8.300 nan 0.000 0.462 95 Y N 2.830 123.337 120.300 0.346 0.000 2.331 95 Y HA 0.573 5.126 4.550 0.005 0.000 0.338 95 Y C -0.258 175.939 175.900 0.494 0.000 0.976 95 Y CA -1.552 56.703 58.100 0.258 0.000 1.137 95 Y CB 1.439 39.776 38.460 -0.206 0.000 1.172 95 Y HN 0.173 nan 8.280 nan 0.000 0.478 96 V N 2.937 123.244 119.914 0.656 0.000 2.448 96 V HA 0.578 4.701 4.120 0.005 0.000 0.295 96 V C -0.255 175.995 176.094 0.259 0.000 1.025 96 V CA -0.712 61.858 62.300 0.450 0.000 0.859 96 V CB 1.850 33.972 31.823 0.498 0.000 0.988 96 V HN 0.719 nan 8.190 nan 0.000 0.431 97 S N 2.388 118.094 115.700 0.009 0.000 2.521 97 S HA 0.485 4.958 4.470 0.005 0.000 0.295 97 S C 0.276 174.758 174.600 -0.197 0.000 1.098 97 S CA -0.599 57.480 58.200 -0.202 0.000 0.999 97 S CB 1.891 64.790 63.200 -0.502 0.000 1.034 97 S HN 0.767 nan 8.310 nan 0.000 0.483 98 E N 1.899 122.004 120.200 -0.157 0.000 2.481 98 E HA 0.084 4.437 4.350 0.005 0.000 0.198 98 E C -0.495 176.047 176.600 -0.098 0.000 1.027 98 E CA 0.305 56.641 56.400 -0.108 0.000 0.900 98 E CB 0.323 29.981 29.700 -0.069 0.000 0.993 98 E HN 0.773 nan 8.360 nan 0.000 0.482 99 D N -0.483 119.838 120.400 -0.131 0.000 2.908 99 D HA 0.157 4.800 4.640 0.005 0.000 0.361 99 D C -0.016 176.237 176.300 -0.077 0.000 1.416 99 D CA -0.590 53.352 54.000 -0.098 0.000 0.796 99 D CB -0.157 40.580 40.800 -0.106 0.000 1.185 99 D HN -0.148 nan 8.370 nan 0.000 0.451 100 R N -0.064 120.419 120.500 -0.029 0.000 3.770 100 R HA -0.129 4.214 4.340 0.005 0.000 0.305 100 R C 1.041 177.408 176.300 0.113 0.000 1.184 100 R CA 0.635 56.808 56.100 0.121 0.000 0.823 100 R CB -2.136 28.251 30.300 0.145 0.000 1.285 100 R HN 0.680 nan 8.270 nan 0.000 0.499 101 G N -0.322 108.370 108.800 -0.181 0.000 2.143 101 G HA2 -0.367 3.596 3.960 0.005 0.000 0.249 101 G HA3 -0.367 3.596 3.960 0.005 0.000 0.249 101 G C 0.629 175.339 174.900 -0.317 0.000 0.981 101 G CA 0.585 45.419 45.100 -0.445 0.000 0.665 101 G HN 0.496 nan 8.290 nan 0.000 0.528 102 Q N -0.049 119.622 119.800 -0.215 0.000 2.124 102 Q HA 0.114 4.457 4.340 0.005 0.000 0.202 102 Q C 1.538 177.432 176.000 -0.177 0.000 0.977 102 Q CA 1.505 57.235 55.803 -0.122 0.000 0.850 102 Q CB -0.010 28.674 28.738 -0.088 0.000 0.901 102 Q HN 0.983 nan 8.270 nan 0.000 0.429 103 S N -1.275 114.209 115.700 -0.359 0.000 2.564 103 S HA 0.669 5.142 4.470 0.005 0.000 0.274 103 S C -1.058 173.194 174.600 -0.580 0.000 1.124 103 S CA -0.985 57.016 58.200 -0.332 0.000 0.869 103 S CB 1.248 64.332 63.200 -0.193 0.000 1.105 103 S HN 0.088 nan 8.310 nan 0.000 0.472 104 F N 0.578 120.435 119.950 -0.155 0.000 2.563 104 F HA 0.725 5.255 4.527 0.005 0.000 0.316 104 F C 0.557 176.212 175.800 -0.242 0.000 1.076 104 F CA -0.574 57.329 58.000 -0.162 0.000 0.921 104 F CB 2.479 41.351 39.000 -0.214 0.000 1.209 104 F HN 0.750 nan 8.300 nan 0.000 0.462 105 T N 2.778 117.351 114.554 0.031 0.000 2.855 105 T HA 0.772 5.125 4.350 0.005 0.000 0.281 105 T C -0.772 173.808 174.700 -0.201 0.000 1.007 105 T CA -0.429 61.586 62.100 -0.143 0.000 1.009 105 T CB 0.521 69.296 68.868 -0.154 0.000 0.983 105 T HN 0.449 nan 8.240 nan 0.000 0.455 106 I N 4.155 124.516 120.570 -0.350 0.000 2.441 106 I HA 0.444 4.617 4.170 0.005 0.000 0.295 106 I C -1.093 174.856 176.117 -0.280 0.000 0.994 106 I CA -1.083 60.126 61.300 -0.152 0.000 1.144 106 I CB 1.503 39.465 38.000 -0.064 0.000 1.314 106 I HN 0.650 nan 8.210 nan 0.000 0.445 107 Y N 3.090 123.599 120.300 0.349 0.000 2.409 107 Y HA 0.316 4.869 4.550 0.005 0.000 0.343 107 Y C 0.186 176.316 175.900 0.384 0.000 0.973 107 Y CA -0.989 57.305 58.100 0.323 0.000 1.064 107 Y CB 1.455 40.118 38.460 0.339 0.000 1.207 107 Y HN 0.505 nan 8.280 nan 0.000 0.452 108 E N 1.854 122.319 120.200 0.443 0.000 2.376 108 E HA 0.170 4.523 4.350 0.005 0.000 0.266 108 E C -0.370 176.384 176.600 0.256 0.000 1.009 108 E CA -0.195 56.455 56.400 0.417 0.000 0.902 108 E CB 0.807 30.638 29.700 0.218 0.000 0.972 108 E HN 0.553 nan 8.360 nan 0.000 0.439 109 S N 4.262 120.009 115.700 0.079 0.000 2.565 109 S HA 0.212 4.685 4.470 0.005 0.000 0.274 109 S C -1.516 172.856 174.600 -0.380 0.000 1.309 109 S CA -1.443 56.586 58.200 -0.285 0.000 1.043 109 S CB 0.978 63.778 63.200 -0.667 0.000 0.939 109 S HN 0.583 nan 8.310 nan 0.000 0.504 110 P HA 0.165 nan 4.420 nan 0.000 0.241 110 P C -0.436 176.585 177.300 -0.465 0.000 1.191 110 P CA 0.388 63.248 63.100 -0.399 0.000 0.771 110 P CB -0.314 31.232 31.700 -0.257 0.000 0.929 111 F N -2.514 117.175 119.950 -0.435 0.000 2.613 111 F HA 0.776 5.306 4.527 0.005 0.000 0.310 111 F C -3.139 172.478 175.800 -0.306 0.000 1.085 111 F CA -3.978 53.766 58.000 -0.427 0.000 0.945 111 F CB -0.337 38.229 39.000 -0.724 0.000 1.298 111 F HN -0.422 nan 8.300 nan 0.000 0.455 112 P HA 0.360 nan 4.420 nan 0.000 0.270 112 P C -0.873 176.421 177.300 -0.011 0.000 1.223 112 P CA -0.097 62.995 63.100 -0.013 0.000 0.785 112 P CB 0.660 32.365 31.700 0.008 0.000 0.923 113 M N 0.495 120.038 119.600 -0.096 0.000 2.619 113 M HA 0.614 5.097 4.480 0.005 0.000 0.297 113 M C 0.099 176.324 176.300 -0.125 0.000 1.229 113 M CA -0.512 54.711 55.300 -0.127 0.000 0.860 113 M CB 2.803 35.263 32.600 -0.234 0.000 1.741 113 M HN 0.390 nan 8.290 nan 0.000 0.462 114 G N 0.028 108.756 108.800 -0.120 0.000 4.370 114 G HA2 0.521 4.484 3.960 0.005 0.000 0.295 114 G HA3 0.521 4.484 3.960 0.005 0.000 0.295 114 G C 0.450 175.269 174.900 -0.135 0.000 1.312 114 G CA -0.015 45.020 45.100 -0.108 0.000 0.845 114 G HN 0.897 nan 8.290 nan 0.000 0.531 115 A N 1.141 123.840 122.820 -0.202 0.000 2.024 115 A HA -0.089 4.234 4.320 0.005 0.000 0.220 115 A C 1.770 179.263 177.584 -0.151 0.000 1.164 115 A CA 1.650 53.576 52.037 -0.185 0.000 0.643 115 A CB 0.005 18.867 19.000 -0.230 0.000 0.806 115 A HN 0.460 nan 8.150 nan 0.000 0.451 116 N N -0.081 118.489 118.700 -0.217 0.000 2.275 116 N HA 0.119 4.862 4.740 0.005 0.000 0.236 116 N C -0.975 174.588 175.510 0.088 0.000 1.154 116 N CA -0.219 52.777 53.050 -0.090 0.000 0.866 116 N CB 0.118 38.472 38.487 -0.221 0.000 1.093 116 N HN 0.251 nan 8.380 nan 0.000 0.515 117 D N -0.109 120.324 120.400 0.055 0.000 2.437 117 D HA 0.198 4.841 4.640 0.005 0.000 0.259 117 D C 0.728 177.044 176.300 0.028 0.000 1.118 117 D CA -0.321 53.740 54.000 0.102 0.000 1.017 117 D CB 0.756 41.593 40.800 0.061 0.000 1.120 117 D HN -0.006 nan 8.370 nan 0.000 0.541 118 M N 0.064 119.648 119.600 -0.027 0.000 2.252 118 M HA 0.168 4.651 4.480 0.005 0.000 0.329 118 M C 1.418 177.610 176.300 -0.179 0.000 1.101 118 M CA 0.558 55.754 55.300 -0.173 0.000 1.117 118 M CB -0.476 31.949 32.600 -0.290 0.000 1.563 118 M HN 0.759 nan 8.290 nan 0.000 0.445 119 G N 2.537 111.201 108.800 -0.227 0.000 2.179 119 G HA2 -0.328 3.635 3.960 0.005 0.000 0.260 119 G HA3 -0.328 3.635 3.960 0.005 0.000 0.260 119 G C 1.036 175.873 174.900 -0.105 0.000 0.977 119 G CA 0.645 45.637 45.100 -0.180 0.000 0.641 119 G HN 0.828 nan 8.290 nan 0.000 0.533 120 R N 1.099 121.558 120.500 -0.069 0.000 2.193 120 R HA -0.091 4.252 4.340 0.005 0.000 0.229 120 R C 2.108 178.384 176.300 -0.040 0.000 1.110 120 R CA 1.527 57.602 56.100 -0.042 0.000 0.988 120 R CB -0.769 29.527 30.300 -0.007 0.000 0.871 120 R HN 0.565 nan 8.270 nan 0.000 0.458 121 N N 1.023 119.718 118.700 -0.007 0.000 2.364 121 N HA -0.125 4.618 4.740 0.005 0.000 0.183 121 N C -0.292 175.215 175.510 -0.004 0.000 1.022 121 N CA 0.745 53.809 53.050 0.023 0.000 0.883 121 N CB -0.470 38.039 38.487 0.036 0.000 0.965 121 N HN 0.242 nan 8.380 nan 0.000 0.438 122 N N 0.280 118.963 118.700 -0.028 0.000 2.495 122 N HA 0.611 5.355 4.740 0.005 0.000 0.280 122 N C 0.610 176.118 175.510 -0.003 0.000 1.168 122 N CA 0.219 53.259 53.050 -0.017 0.000 0.978 122 N CB 1.728 40.190 38.487 -0.041 0.000 1.191 122 N HN 0.419 nan 8.380 nan 0.000 0.497 123 G N -0.230 108.582 108.800 0.021 0.000 2.336 123 G HA2 0.064 4.028 3.960 0.005 0.000 0.300 123 G HA3 0.064 4.028 3.960 0.005 0.000 0.300 123 G C -1.780 173.162 174.900 0.070 0.000 1.375 123 G CA -0.680 44.447 45.100 0.045 0.000 0.885 123 G HN 0.293 nan 8.290 nan 0.000 0.599 124 E N -0.061 120.196 120.200 0.096 0.000 2.231 124 E HA 0.375 4.729 4.350 0.005 0.000 0.277 124 E C 1.035 177.714 176.600 0.132 0.000 0.999 124 E CA -0.625 55.841 56.400 0.110 0.000 0.827 124 E CB 2.099 31.881 29.700 0.137 0.000 1.101 124 E HN 0.559 nan 8.360 nan 0.000 0.393 125 R N 0.774 121.351 120.500 0.128 0.000 2.153 125 R HA 0.031 4.374 4.340 0.005 0.000 0.218 125 R C 0.504 176.936 176.300 0.220 0.000 1.072 125 R CA 0.271 56.461 56.100 0.149 0.000 0.990 125 R CB 0.105 30.469 30.300 0.108 0.000 0.889 125 R HN 0.173 nan 8.270 nan 0.000 0.452 126 L N 0.489 121.858 121.223 0.242 0.000 2.295 126 L HA 0.522 4.865 4.340 0.005 0.000 0.285 126 L C -1.003 176.057 176.870 0.317 0.000 1.035 126 L CA -0.394 54.639 54.840 0.322 0.000 0.806 126 L CB 1.603 43.866 42.059 0.340 0.000 1.214 126 L HN -0.006 nan 8.230 nan 0.000 0.426 127 A N 4.389 127.439 122.820 0.383 0.000 2.488 127 A HA 0.713 5.037 4.320 0.005 0.000 0.298 127 A C -1.549 176.235 177.584 0.335 0.000 1.044 127 A CA -0.575 51.697 52.037 0.392 0.000 0.693 127 A CB 1.478 20.792 19.000 0.522 0.000 1.272 127 A HN 0.385 nan 8.150 nan 0.000 0.402 128 V N 2.672 122.652 119.914 0.109 0.000 2.439 128 V HA 0.246 4.369 4.120 0.005 0.000 0.282 128 V C 0.542 176.328 176.094 -0.514 0.000 1.039 128 V CA -0.917 61.317 62.300 -0.109 0.000 0.913 128 V CB 1.486 33.280 31.823 -0.049 0.000 0.983 128 V HN 0.882 nan 8.190 nan 0.000 0.460 129 N N 6.900 125.130 118.700 -0.784 0.000 2.429 129 N HA 0.076 4.819 4.740 0.005 0.000 0.271 129 N C -1.692 173.511 175.510 -0.511 0.000 1.272 129 N CA -1.417 50.937 53.050 -1.161 0.000 0.921 129 N CB 1.482 39.698 38.487 -0.451 0.000 1.128 129 N HN 0.332 nan 8.380 nan 0.000 0.481 130 P HA 0.022 nan 4.420 nan 0.000 0.237 130 P C 0.230 177.247 177.300 -0.471 0.000 1.178 130 P CA 0.911 63.805 63.100 -0.344 0.000 0.766 130 P CB 0.020 31.521 31.700 -0.331 0.000 0.876 131 F N -1.705 118.184 119.950 -0.101 0.000 2.704 131 F HA 0.278 4.808 4.527 0.005 0.000 0.304 131 F C 0.815 176.597 175.800 -0.029 0.000 1.094 131 F CA -0.016 57.964 58.000 -0.034 0.000 1.275 131 F CB 0.296 39.297 39.000 0.003 0.000 1.073 131 F HN -0.161 nan 8.300 nan 0.000 0.586 132 N N -0.368 118.372 118.700 0.067 0.000 2.621 132 N HA 0.032 4.775 4.740 0.005 0.000 0.271 132 N C 0.498 175.999 175.510 -0.014 0.000 1.181 132 N CA 0.176 53.251 53.050 0.041 0.000 0.805 132 N CB 1.052 39.584 38.487 0.075 0.000 1.351 132 N HN -0.043 nan 8.380 nan 0.000 0.539 133 S N 1.786 117.481 115.700 -0.009 0.000 2.547 133 S HA -0.035 4.438 4.470 0.005 0.000 0.235 133 S C 0.992 175.596 174.600 0.007 0.000 0.980 133 S CA 0.507 58.708 58.200 0.001 0.000 0.941 133 S CB -0.070 63.147 63.200 0.028 0.000 0.763 133 S HN 0.488 nan 8.310 nan 0.000 0.532 134 N N 1.383 120.075 118.700 -0.013 0.000 2.463 134 N HA 0.066 4.809 4.740 0.005 0.000 0.181 134 N C 0.228 175.673 175.510 -0.109 0.000 1.078 134 N CA 0.397 53.421 53.050 -0.043 0.000 0.902 134 N CB 0.103 38.565 38.487 -0.042 0.000 0.970 134 N HN 0.683 nan 8.380 nan 0.000 0.451 135 E N 1.022 121.171 120.200 -0.085 0.000 2.156 135 E HA 0.385 4.738 4.350 0.005 0.000 0.279 135 E C -1.300 175.256 176.600 -0.075 0.000 0.965 135 E CA -0.394 55.959 56.400 -0.079 0.000 0.789 135 E CB 1.287 31.035 29.700 0.080 0.000 1.098 135 E HN -0.254 nan 8.360 nan 0.000 0.397 136 V N 4.752 124.549 119.914 -0.194 0.000 2.638 136 V HA 0.434 4.557 4.120 0.005 0.000 0.306 136 V C -1.171 174.957 176.094 0.056 0.000 1.052 136 V CA -0.848 61.381 62.300 -0.119 0.000 0.885 136 V CB 1.182 32.722 31.823 -0.471 0.000 0.999 136 V HN 0.669 nan 8.190 nan 0.000 0.424 137 W N 4.208 125.668 121.300 0.267 0.000 2.689 137 W HA 0.859 5.522 4.660 0.006 0.000 0.340 137 W C -0.236 176.575 176.519 0.485 0.000 1.060 137 W CA -0.742 56.869 57.345 0.445 0.000 1.218 137 W CB 1.958 31.652 29.460 0.390 0.000 1.410 137 W HN 0.481 nan 8.180 nan 0.000 0.528 138 M N 2.219 122.228 119.600 0.681 0.000 2.263 138 M HA 0.652 5.135 4.480 0.005 0.000 0.295 138 M C -0.281 176.134 176.300 0.191 0.000 1.028 138 M CA -0.332 55.186 55.300 0.364 0.000 0.921 138 M CB 1.681 34.381 32.600 0.166 0.000 1.601 138 M HN 0.469 nan 8.290 nan 0.000 0.440 139 G N 2.813 111.704 108.800 0.151 0.000 2.338 139 G HA2 0.502 4.465 3.960 0.005 0.000 0.295 139 G HA3 0.502 4.465 3.960 0.005 0.000 0.295 139 G C -0.235 174.670 174.900 0.008 0.000 1.132 139 G CA -0.103 45.061 45.100 0.108 0.000 0.922 139 G HN 0.855 nan 8.290 nan 0.000 0.427 140 T N -0.020 114.481 114.554 -0.088 0.000 2.943 140 T HA 0.377 4.730 4.350 0.005 0.000 0.284 140 T C 1.318 175.987 174.700 -0.052 0.000 1.015 140 T CA -0.825 61.131 62.100 -0.240 0.000 1.042 140 T CB 2.116 70.559 68.868 -0.707 0.000 1.055 140 T HN 0.421 nan 8.240 nan 0.000 0.500 141 R N 0.201 120.665 120.500 -0.059 0.000 2.119 141 R HA 0.051 4.394 4.340 0.005 0.000 0.222 141 R C 1.929 178.239 176.300 0.016 0.000 1.088 141 R CA 1.537 57.628 56.100 -0.014 0.000 0.984 141 R CB -0.196 30.089 30.300 -0.025 0.000 0.884 141 R HN 0.905 nan 8.270 nan 0.000 0.447 142 T N -3.990 110.572 114.554 0.012 0.000 3.043 142 T HA 0.212 4.565 4.350 0.005 0.000 0.272 142 T C 0.740 175.489 174.700 0.082 0.000 0.990 142 T CA -0.287 61.841 62.100 0.046 0.000 0.897 142 T CB 0.692 69.586 68.868 0.043 0.000 1.111 142 T HN 0.010 nan 8.240 nan 0.000 0.529 143 E N 0.226 120.481 120.200 0.092 0.000 2.945 143 E HA 0.482 4.836 4.350 0.005 0.000 0.196 143 E C 0.869 177.669 176.600 0.333 0.000 0.965 143 E CA 0.323 56.857 56.400 0.225 0.000 1.270 143 E CB 0.572 30.427 29.700 0.258 0.000 1.045 143 E HN 0.630 nan 8.360 nan 0.000 0.474 144 G N 0.588 109.517 108.800 0.217 0.000 2.525 144 G HA2 -0.298 3.665 3.960 0.005 0.000 0.248 144 G HA3 -0.298 3.665 3.960 0.005 0.000 0.248 144 G C -0.244 174.720 174.900 0.106 0.000 1.238 144 G CA -0.172 45.030 45.100 0.170 0.000 0.926 144 G HN 0.155 nan 8.290 nan 0.000 0.574 145 I N -0.225 120.291 120.570 -0.090 0.000 2.460 145 I HA 0.677 4.850 4.170 0.005 0.000 0.298 145 I C -0.444 175.742 176.117 0.115 0.000 0.989 145 I CA -0.551 60.737 61.300 -0.020 0.000 1.173 145 I CB 1.650 39.517 38.000 -0.222 0.000 1.338 145 I HN 0.512 nan 8.210 nan 0.000 0.456 146 W N 4.276 125.557 121.300 -0.030 0.000 2.864 146 W HA 0.624 5.287 4.660 0.005 0.000 0.343 146 W C -0.465 176.137 176.519 0.137 0.000 1.109 146 W CA -0.791 56.608 57.345 0.090 0.000 1.192 146 W CB 1.334 30.923 29.460 0.216 0.000 1.426 146 W HN 0.193 nan 8.180 nan 0.000 0.529 147 K N 1.269 121.736 120.400 0.112 0.000 2.427 147 K HA 0.650 4.973 4.320 0.005 0.000 0.252 147 K C -0.983 175.353 176.600 -0.440 0.000 0.931 147 K CA -0.455 55.521 56.287 -0.518 0.000 0.793 147 K CB 2.123 33.904 32.500 -1.197 0.000 1.211 147 K HN 0.349 nan 8.250 nan 0.000 0.426 148 S N 1.477 116.629 115.700 -0.913 0.000 2.472 148 S HA 0.329 4.802 4.470 0.005 0.000 0.303 148 S C -0.040 174.186 174.600 -0.623 0.000 1.099 148 S CA -0.536 57.045 58.200 -1.031 0.000 1.077 148 S CB 1.565 63.657 63.200 -1.847 0.000 1.031 148 S HN 0.626 nan 8.310 nan 0.000 0.487 149 S N 1.950 117.391 115.700 -0.430 0.000 2.539 149 S HA 0.123 4.596 4.470 0.005 0.000 0.221 149 S C -0.098 174.366 174.600 -0.227 0.000 0.987 149 S CA -0.195 57.844 58.200 -0.267 0.000 0.929 149 S CB 0.024 63.114 63.200 -0.183 0.000 0.832 149 S HN 0.866 nan 8.310 nan 0.000 0.492 150 D N 0.523 120.744 120.400 -0.298 0.000 2.804 150 D HA 0.171 4.814 4.640 0.005 0.000 0.308 150 D C -0.138 176.016 176.300 -0.244 0.000 1.371 150 D CA -0.570 53.296 54.000 -0.223 0.000 0.823 150 D CB -0.509 40.175 40.800 -0.194 0.000 1.126 150 D HN -0.021 nan 8.370 nan 0.000 0.467 151 R N 0.409 120.750 120.500 -0.266 0.000 3.267 151 R HA -0.099 4.244 4.340 0.005 0.000 0.254 151 R C 0.634 176.821 176.300 -0.188 0.000 0.993 151 R CA 0.485 56.496 56.100 -0.149 0.000 0.670 151 R CB -2.264 28.098 30.300 0.102 0.000 1.125 151 R HN 0.627 nan 8.270 nan 0.000 0.434 152 A N -1.607 120.879 122.820 -0.557 0.000 3.172 152 A HA -0.343 3.980 4.320 0.005 0.000 0.263 152 A C 1.524 178.808 177.584 -0.500 0.000 1.215 152 A CA 1.957 53.655 52.037 -0.565 0.000 1.065 152 A CB -1.162 17.793 19.000 -0.076 0.000 1.148 152 A HN 0.588 nan 8.150 nan 0.000 0.904 153 K N -0.424 119.566 120.400 -0.683 0.000 1.984 153 K HA 0.004 4.327 4.320 0.005 0.000 0.209 153 K C 1.100 177.477 176.600 -0.373 0.000 1.046 153 K CA 1.675 57.432 56.287 -0.883 0.000 0.934 153 K CB -0.175 31.983 32.500 -0.570 0.000 0.717 153 K HN 0.996 nan 8.250 nan 0.000 0.438 154 T N -2.276 112.082 114.554 -0.327 0.000 2.916 154 T HA 0.512 4.866 4.350 0.005 0.000 0.292 154 T C -1.341 173.201 174.700 -0.263 0.000 1.055 154 T CA -0.966 61.078 62.100 -0.094 0.000 1.009 154 T CB 1.349 70.194 68.868 -0.038 0.000 1.118 154 T HN 0.142 nan 8.240 nan 0.000 0.497 155 W N 0.573 121.906 121.300 0.055 0.000 2.915 155 W HA 0.635 5.298 4.660 0.005 0.000 0.337 155 W C -0.245 176.461 176.519 0.311 0.000 1.102 155 W CA -0.613 56.847 57.345 0.192 0.000 1.224 155 W CB 2.256 31.933 29.460 0.361 0.000 1.416 155 W HN 0.951 nan 8.180 nan 0.000 0.503 156 T N 1.520 116.301 114.554 0.379 0.000 2.861 156 T HA 0.355 4.708 4.350 0.005 0.000 0.287 156 T C -0.580 173.971 174.700 -0.249 0.000 1.003 156 T CA -0.793 61.354 62.100 0.079 0.000 0.977 156 T CB 0.984 69.818 68.868 -0.057 0.000 0.996 156 T HN 0.509 nan 8.240 nan 0.000 0.448 157 N N 3.233 121.338 118.700 -0.991 0.000 2.483 157 N HA 0.201 4.944 4.740 0.005 0.000 0.264 157 N C -0.425 174.703 175.510 -0.636 0.000 1.197 157 N CA -0.440 51.737 53.050 -1.455 0.000 0.927 157 N CB 0.677 38.087 38.487 -1.795 0.000 1.065 157 N HN 0.444 nan 8.380 nan 0.000 0.461 158 V N 3.991 123.622 119.914 -0.471 0.000 2.322 158 V HA 0.017 4.140 4.120 0.005 0.000 0.258 158 V C 1.622 177.591 176.094 -0.209 0.000 1.074 158 V CA -0.263 61.908 62.300 -0.214 0.000 0.909 158 V CB 0.256 32.062 31.823 -0.028 0.000 1.090 158 V HN 0.887 nan 8.190 nan 0.000 0.486 159 T N 0.066 114.517 114.554 -0.172 0.000 3.035 159 T HA -0.122 4.231 4.350 0.005 0.000 0.268 159 T C 1.797 176.437 174.700 -0.100 0.000 1.109 159 T CA 1.085 63.096 62.100 -0.149 0.000 1.119 159 T CB -0.135 68.663 68.868 -0.117 0.000 0.900 159 T HN 0.689 nan 8.240 nan 0.000 0.503 160 S N 0.221 115.910 115.700 -0.018 0.000 2.603 160 S HA 0.164 4.637 4.470 0.005 0.000 0.229 160 S C 0.483 175.091 174.600 0.015 0.000 0.972 160 S CA -0.577 57.667 58.200 0.074 0.000 0.935 160 S CB -0.935 62.397 63.200 0.220 0.000 0.769 160 S HN 0.508 nan 8.310 nan 0.000 0.536 161 I N 2.837 123.235 120.570 -0.286 0.000 2.396 161 I HA 0.352 4.526 4.170 0.005 0.000 0.289 161 I C -1.891 173.964 176.117 -0.438 0.000 1.056 161 I CA -2.378 58.539 61.300 -0.639 0.000 1.365 161 I CB 1.314 38.758 38.000 -0.926 0.000 1.407 161 I HN -0.066 nan 8.210 nan 0.000 0.509 162 P HA -0.063 nan 4.420 nan 0.000 0.225 162 P C -0.686 176.435 177.300 -0.298 0.000 1.148 162 P CA 1.096 64.018 63.100 -0.296 0.000 0.779 162 P CB 0.127 31.701 31.700 -0.211 0.000 0.780 163 D N -2.116 118.033 120.400 -0.419 0.000 2.970 163 D HA 0.324 4.967 4.640 0.005 0.000 0.230 163 D C 0.072 176.156 176.300 -0.360 0.000 1.276 163 D CA -0.589 53.122 54.000 -0.480 0.000 0.910 163 D CB 1.761 42.096 40.800 -0.776 0.000 1.590 163 D HN -0.166 nan 8.370 nan 0.000 0.551 164 A N 3.165 125.818 122.820 -0.278 0.000 2.169 164 A HA 0.109 4.432 4.320 0.005 0.000 0.212 164 A C 0.765 178.426 177.584 0.128 0.000 1.153 164 A CA -0.027 51.995 52.037 -0.025 0.000 0.756 164 A CB -0.708 18.268 19.000 -0.040 0.000 0.813 164 A HN 0.599 nan 8.150 nan 0.000 0.471 165 F N 0.892 120.848 119.950 0.010 0.000 2.805 165 F HA -0.209 4.321 4.527 0.005 0.000 0.217 165 F C 1.356 177.141 175.800 -0.026 0.000 1.035 165 F CA 1.116 59.071 58.000 -0.075 0.000 0.835 165 F CB -2.281 36.557 39.000 -0.270 0.000 0.687 165 F HN 0.322 nan 8.300 nan 0.000 0.844 166 T N -2.288 112.321 114.554 0.092 0.000 4.029 166 T HA 0.170 4.523 4.350 0.005 0.000 0.226 166 T C 0.959 175.694 174.700 0.059 0.000 0.838 166 T CA 0.104 62.249 62.100 0.075 0.000 0.907 166 T CB -0.511 68.390 68.868 0.055 0.000 1.296 166 T HN 0.487 nan 8.240 nan 0.000 0.711 167 N N 0.066 118.805 118.700 0.066 0.000 2.187 167 N HA 0.312 5.055 4.740 0.005 0.000 0.212 167 N C 1.429 176.948 175.510 0.015 0.000 1.152 167 N CA -0.001 53.075 53.050 0.044 0.000 0.872 167 N CB 0.181 38.706 38.487 0.062 0.000 1.025 167 N HN 0.573 nan 8.380 nan 0.000 0.514 168 G N 0.050 108.857 108.800 0.013 0.000 2.258 168 G HA2 -0.257 3.706 3.960 0.005 0.000 0.233 168 G HA3 -0.257 3.706 3.960 0.005 0.000 0.233 168 G C 0.557 175.438 174.900 -0.032 0.000 1.006 168 G CA 0.490 45.587 45.100 -0.004 0.000 0.620 168 G HN 0.225 nan 8.290 nan 0.000 0.511 169 I N 0.695 121.235 120.570 -0.050 0.000 2.962 169 I HA 0.431 4.604 4.170 0.005 0.000 0.246 169 I C 2.222 178.298 176.117 -0.068 0.000 1.091 169 I CA 2.224 63.471 61.300 -0.088 0.000 1.469 169 I CB -1.453 36.461 38.000 -0.143 0.000 1.324 169 I HN 1.381 nan 8.210 nan 0.000 0.461 170 G N 0.542 109.306 108.800 -0.060 0.000 2.525 170 G HA2 -0.296 3.667 3.960 0.005 0.000 0.248 170 G HA3 -0.296 3.667 3.960 0.005 0.000 0.248 170 G C -0.610 174.209 174.900 -0.135 0.000 1.238 170 G CA -0.254 44.837 45.100 -0.015 0.000 0.926 170 G HN 0.214 nan 8.290 nan 0.000 0.574 171 Y N 1.833 122.129 120.300 -0.005 0.000 2.404 171 Y HA 0.435 4.988 4.550 0.005 0.000 0.344 171 Y C 1.965 177.850 175.900 -0.026 0.000 0.995 171 Y CA 0.718 58.805 58.100 -0.021 0.000 1.201 171 Y CB 1.459 39.925 38.460 0.010 0.000 1.151 171 Y HN 0.710 nan 8.280 nan 0.000 0.517 172 T N -2.231 112.360 114.554 0.062 0.000 3.044 172 T HA 0.133 4.486 4.350 0.005 0.000 0.250 172 T C 0.381 175.123 174.700 0.070 0.000 1.081 172 T CA 0.245 62.363 62.100 0.030 0.000 1.040 172 T CB 0.124 68.968 68.868 -0.040 0.000 0.962 172 T HN 0.431 nan 8.240 nan 0.000 0.506 173 S N 0.296 116.066 115.700 0.116 0.000 2.546 173 S HA 0.645 5.118 4.470 0.005 0.000 0.272 173 S C -1.569 173.122 174.600 0.151 0.000 1.140 173 S CA -0.663 57.610 58.200 0.121 0.000 0.920 173 S CB 2.163 65.414 63.200 0.086 0.000 1.083 173 S HN 0.136 nan 8.310 nan 0.000 0.476 174 V N 4.665 124.665 119.914 0.142 0.000 2.482 174 V HA 0.571 4.695 4.120 0.005 0.000 0.295 174 V C -0.851 175.302 176.094 0.097 0.000 1.026 174 V CA -0.454 61.906 62.300 0.100 0.000 0.856 174 V CB 1.207 33.108 31.823 0.130 0.000 1.001 174 V HN 0.925 nan 8.190 nan 0.000 0.424 175 I N 4.796 125.389 120.570 0.038 0.000 2.447 175 I HA 0.484 4.657 4.170 0.005 0.000 0.287 175 I C -0.761 175.358 176.117 0.003 0.000 1.023 175 I CA -0.342 61.016 61.300 0.096 0.000 1.083 175 I CB 1.941 40.003 38.000 0.104 0.000 1.245 175 I HN 0.364 nan 8.210 nan 0.000 0.434 176 F N 3.507 123.507 119.950 0.084 0.000 2.389 176 F HA 0.173 4.703 4.527 0.005 0.000 0.337 176 F C 0.899 176.780 175.800 0.136 0.000 1.112 176 F CA -0.089 57.960 58.000 0.082 0.000 1.192 176 F CB 0.547 39.592 39.000 0.074 0.000 1.185 176 F HN 0.402 nan 8.300 nan 0.000 0.552 177 D N 4.982 125.575 120.400 0.321 0.000 2.336 177 D HA 0.135 4.778 4.640 0.005 0.000 0.249 177 D C -1.742 174.777 176.300 0.365 0.000 1.213 177 D CA -2.240 51.930 54.000 0.283 0.000 0.870 177 D CB 1.207 42.150 40.800 0.237 0.000 1.076 177 D HN 0.154 nan 8.370 nan 0.000 0.483 178 P HA 0.007 nan 4.420 nan 0.000 0.242 178 P C 0.274 177.758 177.300 0.307 0.000 1.197 178 P CA 0.493 63.732 63.100 0.233 0.000 0.765 178 P CB 0.543 32.293 31.700 0.084 0.000 0.936 179 E N -0.538 119.850 120.200 0.314 0.000 2.498 179 E HA 0.131 4.484 4.350 0.005 0.000 0.203 179 E C 0.605 177.358 176.600 0.254 0.000 1.013 179 E CA -0.028 56.533 56.400 0.268 0.000 0.927 179 E CB 0.954 30.735 29.700 0.134 0.000 1.012 179 E HN 0.233 nan 8.360 nan 0.000 0.482 180 R N 1.841 122.479 120.500 0.230 0.000 2.713 180 R HA 0.126 4.469 4.340 0.005 0.000 0.282 180 R C -0.788 175.291 176.300 -0.368 0.000 1.472 180 R CA -0.447 55.612 56.100 -0.068 0.000 1.060 180 R CB 0.512 30.814 30.300 0.004 0.000 1.237 180 R HN -0.158 nan 8.270 nan 0.000 0.484 181 N N 1.826 119.894 118.700 -1.053 0.000 2.359 181 N HA -0.000 4.743 4.740 0.005 0.000 0.261 181 N C 0.928 176.184 175.510 -0.423 0.000 1.267 181 N CA 2.464 54.790 53.050 -1.207 0.000 0.864 181 N CB 1.040 38.850 38.487 -1.128 0.000 1.063 181 N HN 0.883 nan 8.380 nan 0.000 0.474 182 G N 1.905 110.576 108.800 -0.216 0.000 2.234 182 G HA2 -0.232 3.731 3.960 0.005 0.000 0.235 182 G HA3 -0.232 3.731 3.960 0.005 0.000 0.235 182 G C 0.048 174.840 174.900 -0.180 0.000 0.997 182 G CA 0.417 45.435 45.100 -0.137 0.000 0.623 182 G HN 0.672 nan 8.290 nan 0.000 0.514 183 T N 1.806 116.279 114.554 -0.136 0.000 2.733 183 T HA 0.656 5.009 4.350 0.005 0.000 0.294 183 T C 0.143 174.681 174.700 -0.270 0.000 0.956 183 T CA 0.154 62.131 62.100 -0.206 0.000 0.987 183 T CB 1.071 69.934 68.868 -0.009 0.000 0.920 183 T HN 0.430 nan 8.240 nan 0.000 0.470 184 I N 2.696 122.936 120.570 -0.550 0.000 2.647 184 I HA 0.437 4.610 4.170 0.005 0.000 0.295 184 I C -1.251 174.598 176.117 -0.447 0.000 1.078 184 I CA -1.237 59.696 61.300 -0.612 0.000 1.048 184 I CB 2.069 39.461 38.000 -1.014 0.000 1.239 184 I HN 0.490 nan 8.210 nan 0.000 0.421 185 Y N 3.673 123.855 120.300 -0.196 0.000 2.328 185 Y HA 0.688 5.241 4.550 0.005 0.000 0.337 185 Y C 0.241 176.176 175.900 0.058 0.000 0.966 185 Y CA -0.741 57.360 58.100 0.001 0.000 1.136 185 Y CB 1.987 40.451 38.460 0.007 0.000 1.170 185 Y HN 0.601 nan 8.280 nan 0.000 0.470 186 A N 2.531 125.539 122.820 0.313 0.000 2.287 186 A HA 0.784 5.107 4.320 0.005 0.000 0.317 186 A C -0.678 177.142 177.584 0.394 0.000 1.220 186 A CA -0.598 51.566 52.037 0.211 0.000 0.835 186 A CB 0.545 19.449 19.000 -0.161 0.000 1.180 186 A HN 0.601 nan 8.150 nan 0.000 0.500 187 S N 1.157 117.077 115.700 0.368 0.000 2.519 187 S HA 0.689 5.162 4.470 0.005 0.000 0.309 187 S C -0.048 174.579 174.600 0.045 0.000 1.100 187 S CA -0.351 57.985 58.200 0.227 0.000 1.059 187 S CB 1.675 64.938 63.200 0.105 0.000 1.008 187 S HN 1.242 nan 8.310 nan 0.000 0.478 188 A N 2.139 124.741 122.820 -0.364 0.000 2.301 188 A HA 0.597 4.921 4.320 0.005 0.000 0.312 188 A C 0.373 177.641 177.584 -0.527 0.000 1.182 188 A CA -0.587 50.997 52.037 -0.754 0.000 0.826 188 A CB 0.077 18.071 19.000 -1.677 0.000 1.134 188 A HN 0.635 nan 8.150 nan 0.000 0.501 189 T N 2.394 116.713 114.554 -0.390 0.000 3.162 189 T HA 0.483 4.836 4.350 0.005 0.000 0.264 189 T C 0.163 174.670 174.700 -0.323 0.000 0.959 189 T CA 1.174 63.108 62.100 -0.276 0.000 1.118 189 T CB -0.983 67.769 68.868 -0.193 0.000 0.979 189 T HN 1.304 nan 8.240 nan 0.000 0.679 190 A N 4.911 127.528 122.820 -0.340 0.000 2.583 190 A HA 0.653 4.976 4.320 0.005 0.000 0.292 190 A C -3.127 174.334 177.584 -0.204 0.000 1.045 190 A CA -1.730 50.114 52.037 -0.322 0.000 0.672 190 A CB 0.770 19.368 19.000 -0.670 0.000 1.283 190 A HN 0.273 nan 8.150 nan 0.000 0.419 191 P HA 0.184 nan 4.420 nan 0.000 0.258 191 P C -0.231 177.027 177.300 -0.070 0.000 1.172 191 P CA 1.242 64.296 63.100 -0.077 0.000 0.762 191 P CB 0.174 31.860 31.700 -0.023 0.000 0.764 192 Q N 1.907 121.637 119.800 -0.116 0.000 2.451 192 Q HA -0.207 4.136 4.340 0.005 0.000 0.305 192 Q C 1.134 177.090 176.000 -0.074 0.000 1.345 192 Q CA 0.670 56.406 55.803 -0.112 0.000 0.854 192 Q CB -1.621 27.055 28.738 -0.104 0.000 1.162 192 Q HN 0.742 nan 8.270 nan 0.000 0.440 193 G N -0.445 108.264 108.800 -0.152 0.000 2.920 193 G HA2 0.106 4.069 3.960 0.005 0.000 0.208 193 G HA3 0.106 4.069 3.960 0.005 0.000 0.208 193 G C 0.399 175.294 174.900 -0.008 0.000 1.159 193 G CA -0.263 44.691 45.100 -0.242 0.000 0.784 193 G HN 0.281 nan 8.290 nan 0.000 0.535 194 M N 1.034 120.614 119.600 -0.033 0.000 2.105 194 M HA 0.406 4.889 4.480 0.005 0.000 0.350 194 M C -1.194 175.056 176.300 -0.084 0.000 1.308 194 M CA -0.213 55.128 55.300 0.069 0.000 1.108 194 M CB 0.926 33.608 32.600 0.138 0.000 1.622 194 M HN 0.043 nan 8.290 nan 0.000 0.468 195 Y N 1.507 121.965 120.300 0.262 0.000 2.524 195 Y HA 0.748 5.302 4.550 0.005 0.000 0.344 195 Y C -0.376 175.697 175.900 0.289 0.000 1.012 195 Y CA -0.899 57.368 58.100 0.278 0.000 1.068 195 Y CB 2.034 40.652 38.460 0.263 0.000 1.249 195 Y HN 0.402 nan 8.280 nan 0.000 0.468 196 V N 1.247 121.361 119.914 0.332 0.000 2.925 196 V HA 0.722 4.845 4.120 0.005 0.000 0.311 196 V C -1.142 174.716 176.094 -0.393 0.000 1.104 196 V CA -0.274 61.892 62.300 -0.223 0.000 0.954 196 V CB 2.378 33.830 31.823 -0.618 0.000 1.022 196 V HN 0.839 nan 8.190 nan 0.000 0.427 197 T N 2.919 116.917 114.554 -0.926 0.000 2.893 197 T HA 0.587 4.940 4.350 0.005 0.000 0.291 197 T C -0.298 173.813 174.700 -0.983 0.000 1.028 197 T CA -0.193 61.254 62.100 -1.088 0.000 0.995 197 T CB 1.220 69.039 68.868 -1.749 0.000 1.051 197 T HN 0.884 nan 8.240 nan 0.000 0.470 198 H N 1.384 120.201 119.070 -0.422 0.000 2.893 198 H HA 0.257 4.817 4.556 0.005 0.000 0.270 198 H C -0.045 175.126 175.328 -0.262 0.000 1.095 198 H CA -0.199 55.665 56.048 -0.306 0.000 1.186 198 H CB 0.622 30.251 29.762 -0.222 0.000 1.562 198 H HN 0.572 nan 8.280 nan 0.000 0.536 199 D N -0.911 119.349 120.400 -0.233 0.000 2.804 199 D HA 0.178 4.821 4.640 0.005 0.000 0.308 199 D C 1.311 177.506 176.300 -0.175 0.000 1.371 199 D CA -0.070 53.830 54.000 -0.168 0.000 0.823 199 D CB 0.034 40.756 40.800 -0.130 0.000 1.126 199 D HN 0.206 nan 8.370 nan 0.000 0.467 200 G N -0.216 108.449 108.800 -0.225 0.000 2.160 200 G HA2 -0.022 3.941 3.960 0.005 0.000 0.251 200 G HA3 -0.022 3.941 3.960 0.005 0.000 0.251 200 G C 1.154 176.016 174.900 -0.063 0.000 1.008 200 G CA 0.357 45.391 45.100 -0.109 0.000 0.724 200 G HN 1.497 nan 8.290 nan 0.000 0.514 201 G N -2.930 105.632 108.800 -0.397 0.000 2.141 201 G HA2 -0.137 3.826 3.960 0.005 0.000 0.231 201 G HA3 -0.137 3.826 3.960 0.005 0.000 0.231 201 G C 1.246 176.138 174.900 -0.014 0.000 0.984 201 G CA 0.943 45.852 45.100 -0.318 0.000 0.660 201 G HN 1.421 nan 8.290 nan 0.000 0.525 202 V N 0.592 120.446 119.914 -0.100 0.000 2.343 202 V HA 0.128 4.251 4.120 0.005 0.000 0.247 202 V C 1.718 177.796 176.094 -0.026 0.000 1.051 202 V CA 2.494 64.783 62.300 -0.019 0.000 1.036 202 V CB -0.209 31.593 31.823 -0.036 0.000 0.654 202 V HN 1.422 nan 8.190 nan 0.000 0.451 203 S N -2.683 112.902 115.700 -0.192 0.000 2.627 203 S HA 0.675 5.148 4.470 0.005 0.000 0.283 203 S C -1.764 172.616 174.600 -0.367 0.000 1.127 203 S CA -0.835 57.303 58.200 -0.103 0.000 0.863 203 S CB 2.024 65.198 63.200 -0.043 0.000 1.121 203 S HN 0.248 nan 8.310 nan 0.000 0.479 204 W N 0.111 121.401 121.300 -0.017 0.000 3.127 204 W HA 0.619 5.282 4.660 0.005 0.000 0.330 204 W C -0.572 176.003 176.519 0.094 0.000 1.187 204 W CA -0.381 56.967 57.345 0.005 0.000 1.198 204 W CB 1.855 31.302 29.460 -0.021 0.000 1.408 204 W HN 0.756 nan 8.180 nan 0.000 0.529 205 E N 2.289 122.710 120.200 0.368 0.000 2.288 205 E HA 0.434 4.787 4.350 0.005 0.000 0.268 205 E C -2.491 174.303 176.600 0.325 0.000 0.885 205 E CA -2.183 54.397 56.400 0.301 0.000 0.767 205 E CB 2.515 32.299 29.700 0.140 0.000 1.220 205 E HN -0.108 nan 8.360 nan 0.000 0.427 206 P HA 0.027 nan 4.420 nan 0.000 0.275 206 P C -0.469 176.780 177.300 -0.085 0.000 1.228 206 P CA -0.362 62.535 63.100 -0.337 0.000 0.786 206 P CB 0.510 31.997 31.700 -0.355 0.000 0.927 207 V N 2.169 122.050 119.914 -0.055 0.000 2.585 207 V HA 0.224 4.347 4.120 0.005 0.000 0.296 207 V C 0.990 177.153 176.094 0.115 0.000 1.035 207 V CA -0.051 62.321 62.300 0.120 0.000 1.084 207 V CB -0.097 31.886 31.823 0.267 0.000 0.953 207 V HN 0.682 nan 8.190 nan 0.000 0.483 208 A N 4.092 127.013 122.820 0.169 0.000 2.371 208 A HA 0.608 4.931 4.320 0.005 0.000 0.257 208 A C 1.419 179.147 177.584 0.240 0.000 1.089 208 A CA 0.375 52.492 52.037 0.133 0.000 0.794 208 A CB 0.204 19.276 19.000 0.121 0.000 1.029 208 A HN 2.088 nan 8.150 nan 0.000 0.488 209 G N 0.420 109.203 108.800 -0.029 0.000 2.176 209 G HA2 -0.237 3.726 3.960 0.005 0.000 0.253 209 G HA3 -0.237 3.726 3.960 0.005 0.000 0.253 209 G C 0.278 174.528 174.900 -1.083 0.000 0.979 209 G CA 0.440 45.344 45.100 -0.326 0.000 0.641 209 G HN 0.977 nan 8.290 nan 0.000 0.530 210 Q N 0.973 120.247 119.800 -0.877 0.000 2.326 210 Q HA 0.256 4.599 4.340 0.005 0.000 0.314 210 Q C -2.065 173.309 176.000 -1.044 0.000 1.091 210 Q CA -0.667 54.471 55.803 -1.108 0.000 0.974 210 Q CB 0.190 28.617 28.738 -0.518 0.000 1.220 210 Q HN 0.238 nan 8.270 nan 0.000 0.398 211 P HA -0.086 nan 4.420 nan 0.000 0.261 211 P C -0.297 176.572 177.300 -0.719 0.000 1.183 211 P CA 0.538 62.992 63.100 -1.077 0.000 0.761 211 P CB 0.582 31.465 31.700 -1.362 0.000 0.785 212 S N 0.377 115.752 115.700 -0.541 0.000 2.701 212 S HA 0.357 4.830 4.470 0.005 0.000 0.242 212 S C 0.231 174.640 174.600 -0.318 0.000 1.025 212 S CA -0.169 57.806 58.200 -0.375 0.000 1.016 212 S CB -0.242 62.791 63.200 -0.279 0.000 0.977 212 S HN 0.503 nan 8.310 nan 0.000 0.546 213 S N -0.717 114.751 115.700 -0.387 0.000 2.587 213 S HA 0.652 5.126 4.470 0.005 0.000 0.269 213 S C -1.661 172.725 174.600 -0.358 0.000 1.154 213 S CA -1.144 56.890 58.200 -0.277 0.000 0.824 213 S CB -0.160 62.962 63.200 -0.131 0.000 1.118 213 S HN 0.377 nan 8.310 nan 0.000 0.462 214 W N 1.331 122.581 121.300 -0.083 0.000 2.272 214 W HA 0.531 5.194 4.660 0.005 0.000 0.318 214 W C 0.254 176.772 176.519 -0.003 0.000 1.255 214 W CA -0.698 56.621 57.345 -0.045 0.000 1.200 214 W CB 0.522 29.927 29.460 -0.091 0.000 1.170 214 W HN 0.549 nan 8.180 nan 0.000 0.549 215 L N 3.241 124.647 121.223 0.307 0.000 2.483 215 L HA -0.094 4.249 4.340 0.005 0.000 0.276 215 L C 1.917 178.905 176.870 0.196 0.000 1.213 215 L CA 0.062 55.037 54.840 0.225 0.000 0.843 215 L CB 0.248 42.447 42.059 0.233 0.000 1.107 215 L HN 0.646 nan 8.230 nan 0.000 0.487 216 N N 2.032 120.808 118.700 0.127 0.000 2.223 216 N HA -0.191 4.552 4.740 0.005 0.000 0.185 216 N C 1.843 177.409 175.510 0.093 0.000 1.016 216 N CA 1.110 54.214 53.050 0.090 0.000 0.863 216 N CB 0.118 38.640 38.487 0.059 0.000 0.983 216 N HN 0.582 nan 8.380 nan 0.000 0.429 217 R N 0.123 120.683 120.500 0.101 0.000 2.091 217 R HA -0.082 4.261 4.340 0.005 0.000 0.238 217 R C 1.720 178.112 176.300 0.153 0.000 1.136 217 R CA 1.842 57.999 56.100 0.095 0.000 0.959 217 R CB -0.242 30.103 30.300 0.075 0.000 0.856 217 R HN 0.264 nan 8.270 nan 0.000 0.437 218 T N -0.402 114.287 114.554 0.225 0.000 2.737 218 T HA -0.113 4.241 4.350 0.005 0.000 0.265 218 T C 1.809 176.734 174.700 0.376 0.000 1.038 218 T CA 1.899 64.204 62.100 0.342 0.000 1.144 218 T CB -0.305 68.840 68.868 0.462 0.000 0.866 218 T HN 0.544 nan 8.240 nan 0.000 0.434 219 T N 0.022 114.685 114.554 0.181 0.000 2.937 219 T HA 0.115 4.468 4.350 0.005 0.000 0.260 219 T C 2.344 177.135 174.700 0.152 0.000 1.051 219 T CA 0.986 63.122 62.100 0.060 0.000 1.141 219 T CB -0.884 67.922 68.868 -0.103 0.000 0.879 219 T HN 0.362 nan 8.240 nan 0.000 0.459 220 G N 1.206 110.065 108.800 0.098 0.000 2.470 220 G HA2 0.078 4.041 3.960 0.005 0.000 0.220 220 G HA3 0.078 4.041 3.960 0.005 0.000 0.220 220 G C 1.776 176.665 174.900 -0.018 0.000 1.121 220 G CA 0.640 45.764 45.100 0.039 0.000 0.766 220 G HN 0.716 nan 8.290 nan 0.000 0.553 221 A N -0.094 122.711 122.820 -0.025 0.000 2.015 221 A HA 0.320 4.643 4.320 0.005 0.000 0.219 221 A C 0.582 177.715 177.584 -0.751 0.000 1.163 221 A CA 0.509 52.326 52.037 -0.368 0.000 0.646 221 A CB -0.163 18.631 19.000 -0.344 0.000 0.806 221 A HN 0.313 nan 8.150 nan 0.000 0.448 222 F N -1.772 118.273 119.950 0.159 0.000 2.872 222 F HA 0.348 4.878 4.527 0.005 0.000 0.365 222 F C -2.257 173.570 175.800 0.046 0.000 1.296 222 F CA -1.768 56.285 58.000 0.089 0.000 1.199 222 F CB 1.391 40.452 39.000 0.100 0.000 1.687 222 F HN -0.033 nan 8.300 nan 0.000 0.604 223 P HA -0.127 nan 4.420 nan 0.000 0.223 223 P C 1.041 178.348 177.300 0.011 0.000 1.151 223 P CA 1.230 64.354 63.100 0.040 0.000 0.787 223 P CB 0.196 31.899 31.700 0.006 0.000 0.788 224 D N -1.801 118.597 120.400 -0.004 0.000 2.328 224 D HA -0.006 4.637 4.640 0.005 0.000 0.221 224 D C 0.183 176.421 176.300 -0.102 0.000 1.072 224 D CA 0.370 54.340 54.000 -0.050 0.000 0.850 224 D CB -0.027 40.738 40.800 -0.058 0.000 0.922 224 D HN 0.023 nan 8.370 nan 0.000 0.516 225 K N 0.820 121.166 120.400 -0.089 0.000 2.221 225 K HA 0.390 4.713 4.320 0.005 0.000 0.258 225 K C -0.531 176.071 176.600 0.005 0.000 0.944 225 K CA -0.880 55.328 56.287 -0.132 0.000 0.823 225 K CB 2.523 34.740 32.500 -0.472 0.000 1.113 225 K HN -0.124 nan 8.250 nan 0.000 0.431 226 K N 3.083 123.474 120.400 -0.015 0.000 2.213 226 K HA 0.365 4.688 4.320 0.005 0.000 0.270 226 K C -2.538 174.008 176.600 -0.092 0.000 1.002 226 K CA -1.898 54.335 56.287 -0.090 0.000 0.868 226 K CB 0.751 33.217 32.500 -0.057 0.000 1.093 226 K HN 0.180 nan 8.250 nan 0.000 0.454 227 P HA 0.015 nan 4.420 nan 0.000 0.267 227 P C -0.416 176.833 177.300 -0.084 0.000 1.200 227 P CA -0.006 62.846 63.100 -0.413 0.000 0.772 227 P CB 0.926 32.010 31.700 -1.028 0.000 0.855 228 A N 1.367 124.210 122.820 0.039 0.000 2.206 228 A HA 0.125 4.448 4.320 0.005 0.000 0.211 228 A C 0.813 178.497 177.584 0.166 0.000 1.158 228 A CA 0.931 53.026 52.037 0.096 0.000 0.761 228 A CB -0.626 18.426 19.000 0.088 0.000 0.801 228 A HN 0.594 nan 8.150 nan 0.000 0.473 229 S N -2.054 113.786 115.700 0.234 0.000 2.599 229 S HA 0.547 5.020 4.470 0.005 0.000 0.287 229 S C 0.495 175.308 174.600 0.355 0.000 1.105 229 S CA -0.366 58.010 58.200 0.293 0.000 0.899 229 S CB 1.090 64.492 63.200 0.337 0.000 1.100 229 S HN 0.208 nan 8.310 nan 0.000 0.482 230 I N 1.199 121.892 120.570 0.205 0.000 2.493 230 I HA 0.300 4.473 4.170 0.005 0.000 0.254 230 I C 0.669 176.845 176.117 0.098 0.000 1.160 230 I CA 1.331 62.719 61.300 0.146 0.000 1.445 230 I CB -0.410 37.625 38.000 0.057 0.000 1.086 230 I HN 0.939 nan 8.210 nan 0.000 0.433 231 A N -0.641 122.162 122.820 -0.027 0.000 2.572 231 A HA 0.723 5.047 4.320 0.005 0.000 0.295 231 A C -2.737 174.480 177.584 -0.611 0.000 1.072 231 A CA -1.381 50.385 52.037 -0.452 0.000 0.691 231 A CB 0.536 19.331 19.000 -0.341 0.000 1.291 231 A HN -0.106 nan 8.150 nan 0.000 0.404 232 P HA 0.169 nan 4.420 nan 0.000 0.265 232 P C -0.949 176.234 177.300 -0.195 0.000 1.187 232 P CA 0.497 62.995 63.100 -1.003 0.000 0.766 232 P CB 0.307 31.220 31.700 -1.312 0.000 0.820 233 Q N 4.146 124.066 119.800 0.201 0.000 2.331 233 Q HA 0.392 4.735 4.340 0.005 0.000 0.267 233 Q C -2.394 173.726 176.000 0.202 0.000 1.006 233 Q CA -2.448 53.468 55.803 0.189 0.000 0.818 233 Q CB 1.155 29.940 28.738 0.078 0.000 1.276 233 Q HN 0.299 nan 8.270 nan 0.000 0.450 234 P HA -0.043 nan 4.420 nan 0.000 0.265 234 P C -0.206 176.975 177.300 -0.199 0.000 1.193 234 P CA 0.368 63.232 63.100 -0.394 0.000 0.765 234 P CB 0.648 32.187 31.700 -0.268 0.000 0.823 235 M N 1.622 121.113 119.600 -0.181 0.000 3.127 235 M HA 0.186 4.670 4.480 0.005 0.000 0.228 235 M C 0.453 176.723 176.300 -0.050 0.000 1.558 235 M CA 1.469 56.728 55.300 -0.069 0.000 1.349 235 M CB -0.445 32.159 32.600 0.007 0.000 1.098 235 M HN 0.212 nan 8.290 nan 0.000 0.582 236 K N 0.554 120.932 120.400 -0.035 0.000 2.375 236 K HA 0.687 5.010 4.320 0.005 0.000 0.249 236 K C -1.289 175.308 176.600 -0.006 0.000 0.942 236 K CA -0.508 55.779 56.287 0.001 0.000 0.806 236 K CB 3.367 35.893 32.500 0.044 0.000 1.227 236 K HN -0.105 nan 8.250 nan 0.000 0.430 237 V N 1.213 121.138 119.914 0.019 0.000 2.680 237 V HA 0.710 4.833 4.120 0.005 0.000 0.309 237 V C -0.918 175.211 176.094 0.058 0.000 1.052 237 V CA -0.822 61.493 62.300 0.025 0.000 0.908 237 V CB 1.701 33.524 31.823 0.000 0.000 1.001 237 V HN 0.924 nan 8.190 nan 0.000 0.431 238 A N 4.458 127.334 122.820 0.093 0.000 2.393 238 A HA 0.856 5.179 4.320 0.005 0.000 0.306 238 A C -1.233 176.394 177.584 0.072 0.000 1.050 238 A CA -0.509 51.602 52.037 0.123 0.000 0.724 238 A CB 1.459 20.584 19.000 0.208 0.000 1.248 238 A HN 0.881 nan 8.150 nan 0.000 0.424 239 L N 2.840 124.076 121.223 0.023 0.000 2.307 239 L HA 0.778 5.121 4.340 0.005 0.000 0.284 239 L C 0.278 177.163 176.870 0.026 0.000 1.023 239 L CA -0.070 54.735 54.840 -0.058 0.000 0.810 239 L CB 1.780 43.785 42.059 -0.091 0.000 1.231 239 L HN 0.957 nan 8.230 nan 0.000 0.423 240 T N 0.515 115.065 114.554 -0.007 0.000 2.907 240 T HA 0.547 4.900 4.350 0.005 0.000 0.290 240 T C -2.222 172.449 174.700 -0.050 0.000 1.066 240 T CA -1.712 60.401 62.100 0.022 0.000 1.012 240 T CB 1.660 70.588 68.868 0.099 0.000 1.184 240 T HN 0.318 nan 8.240 nan 0.000 0.522 241 P HA -0.045 nan 4.420 nan 0.000 0.216 241 P C 0.924 178.109 177.300 -0.192 0.000 1.153 241 P CA 1.362 64.412 63.100 -0.083 0.000 0.858 241 P CB -0.082 31.578 31.700 -0.065 0.000 0.789 242 N N -2.813 115.685 118.700 -0.336 0.000 2.402 242 N HA 0.080 4.823 4.740 0.005 0.000 0.174 242 N C -0.236 174.756 175.510 -0.864 0.000 1.027 242 N CA 0.244 52.875 53.050 -0.698 0.000 0.891 242 N CB 0.106 37.914 38.487 -1.132 0.000 1.016 242 N HN 0.044 nan 8.380 nan 0.000 0.439 243 F N 0.407 120.192 119.950 -0.275 0.000 2.565 243 F HA 0.439 4.969 4.527 0.005 0.000 0.313 243 F C -0.592 174.888 175.800 -0.534 0.000 1.091 243 F CA -0.982 56.728 58.000 -0.482 0.000 0.915 243 F CB 1.207 39.740 39.000 -0.778 0.000 1.208 243 F HN -0.239 nan 8.300 nan 0.000 0.453 244 L N 3.379 124.414 121.223 -0.314 0.000 2.275 244 L HA 0.453 4.796 4.340 0.005 0.000 0.288 244 L C -1.252 175.428 176.870 -0.316 0.000 1.046 244 L CA -0.764 53.877 54.840 -0.332 0.000 0.805 244 L CB 0.246 42.097 42.059 -0.348 0.000 1.193 244 L HN 0.382 nan 8.230 nan 0.000 0.426 245 Y N 3.585 123.886 120.300 0.003 0.000 2.360 245 Y HA 0.680 5.233 4.550 0.005 0.000 0.337 245 Y C -0.169 175.764 175.900 0.055 0.000 1.039 245 Y CA -0.889 57.242 58.100 0.052 0.000 1.109 245 Y CB 1.784 40.281 38.460 0.062 0.000 1.201 245 Y HN 0.214 nan 8.280 nan 0.000 0.458 246 V N 2.180 122.262 119.914 0.281 0.000 2.623 246 V HA 0.424 4.547 4.120 0.005 0.000 0.304 246 V C -0.398 175.746 176.094 0.083 0.000 1.054 246 V CA -1.128 61.233 62.300 0.101 0.000 0.882 246 V CB 1.892 33.734 31.823 0.032 0.000 1.002 246 V HN 0.844 nan 8.190 nan 0.000 0.424 247 T N 1.253 115.797 114.554 -0.017 0.000 2.909 247 T HA 0.785 5.138 4.350 0.005 0.000 0.286 247 T C -0.969 173.707 174.700 -0.040 0.000 1.002 247 T CA -0.421 61.724 62.100 0.076 0.000 1.074 247 T CB 1.279 70.240 68.868 0.154 0.000 0.984 247 T HN 0.417 nan 8.240 nan 0.000 0.495 248 Y N -0.024 120.439 120.300 0.271 0.000 2.581 248 Y HA 0.722 5.275 4.550 0.005 0.000 0.345 248 Y C 0.115 176.244 175.900 0.381 0.000 1.036 248 Y CA -0.839 57.416 58.100 0.259 0.000 1.042 248 Y CB 2.490 41.085 38.460 0.226 0.000 1.289 248 Y HN 1.207 nan 8.280 nan 0.000 0.471 249 A N 0.504 123.669 122.820 0.575 0.000 2.601 249 A HA 0.400 4.723 4.320 0.005 0.000 0.291 249 A C -0.826 177.142 177.584 0.639 0.000 1.075 249 A CA -0.431 51.939 52.037 0.554 0.000 0.671 249 A CB 0.913 20.094 19.000 0.300 0.000 1.277 249 A HN 0.751 nan 8.150 nan 0.000 0.417 250 D N -0.800 119.939 120.400 0.564 0.000 2.328 250 D HA 0.209 4.852 4.640 0.005 0.000 0.221 250 D C -0.255 176.288 176.300 0.404 0.000 1.072 250 D CA 0.538 54.857 54.000 0.531 0.000 0.850 250 D CB 0.207 41.152 40.800 0.242 0.000 0.922 250 D HN 0.404 nan 8.370 nan 0.000 0.516 251 Y N -0.695 119.676 120.300 0.119 0.000 2.573 251 Y HA 0.240 4.793 4.550 0.005 0.000 0.328 251 Y C -2.323 173.540 175.900 -0.062 0.000 1.170 251 Y CA -1.600 56.499 58.100 -0.002 0.000 1.078 251 Y CB 1.545 39.977 38.460 -0.047 0.000 1.341 251 Y HN -0.356 nan 8.280 nan 0.000 0.459 252 P HA 0.131 nan 4.420 nan 0.000 0.220 252 P C 0.331 177.418 177.300 -0.354 0.000 1.148 252 P CA 2.177 65.012 63.100 -0.441 0.000 0.803 252 P CB 0.170 31.551 31.700 -0.532 0.000 0.782 253 G N -0.396 108.156 108.800 -0.414 0.000 2.725 253 G HA2 -0.161 3.802 3.960 0.005 0.000 0.220 253 G HA3 -0.161 3.802 3.960 0.005 0.000 0.220 253 G C -2.087 172.499 174.900 -0.522 0.000 1.357 253 G CA -0.079 44.800 45.100 -0.367 0.000 0.866 253 G HN 0.025 nan 8.290 nan 0.000 0.548 254 P HA 0.135 nan 4.420 nan 0.000 0.236 254 P C 0.582 177.391 177.300 -0.818 0.000 1.177 254 P CA 1.584 64.192 63.100 -0.820 0.000 0.773 254 P CB -0.006 30.896 31.700 -1.330 0.000 0.878 255 W N -2.150 118.900 121.300 -0.418 0.000 2.736 255 W HA 0.552 5.215 4.660 0.005 0.000 0.355 255 W C 0.401 176.966 176.519 0.076 0.000 1.102 255 W CA -0.617 56.690 57.345 -0.063 0.000 1.164 255 W CB 0.549 30.108 29.460 0.165 0.000 1.422 255 W HN 0.173 nan 8.180 nan 0.000 0.572 256 G N -0.010 108.967 108.800 0.294 0.000 2.175 256 G HA2 -0.239 3.724 3.960 0.005 0.000 0.244 256 G HA3 -0.239 3.724 3.960 0.005 0.000 0.244 256 G C -0.437 174.364 174.900 -0.165 0.000 0.982 256 G CA -0.071 45.032 45.100 0.005 0.000 0.641 256 G HN 0.557 nan 8.290 nan 0.000 0.527 257 V N 1.612 121.527 119.914 0.002 0.000 2.614 257 V HA 0.527 4.650 4.120 0.005 0.000 0.291 257 V C 1.542 177.547 176.094 -0.149 0.000 1.049 257 V CA 1.244 63.546 62.300 0.004 0.000 1.038 257 V CB 1.314 33.153 31.823 0.026 0.000 0.980 257 V HN 0.748 nan 8.190 nan 0.000 0.481 258 T N -0.267 114.193 114.554 -0.156 0.000 2.966 258 T HA 0.381 4.734 4.350 0.005 0.000 0.254 258 T C -0.083 174.241 174.700 -0.627 0.000 0.961 258 T CA 0.089 61.928 62.100 -0.436 0.000 0.915 258 T CB 0.200 68.894 68.868 -0.290 0.000 1.186 258 T HN 0.251 nan 8.240 nan 0.000 0.505 259 F N 0.527 120.362 119.950 -0.191 0.000 2.613 259 F HA 0.763 5.293 4.527 0.005 0.000 0.310 259 F C 0.518 176.323 175.800 0.009 0.000 1.085 259 F CA -0.515 57.359 58.000 -0.211 0.000 0.945 259 F CB 2.419 41.039 39.000 -0.633 0.000 1.298 259 F HN 0.365 nan 8.300 nan 0.000 0.455 260 G N 0.920 110.001 108.800 0.468 0.000 2.495 260 G HA2 0.628 4.591 3.960 0.005 0.000 0.294 260 G HA3 0.628 4.591 3.960 0.005 0.000 0.294 260 G C -2.086 173.307 174.900 0.821 0.000 1.397 260 G CA -0.715 44.855 45.100 0.784 0.000 0.790 260 G HN 0.532 nan 8.290 nan 0.000 0.486 261 E N -1.777 118.856 120.200 0.723 0.000 2.445 261 E HA 0.615 4.968 4.350 0.005 0.000 0.279 261 E C -1.447 175.240 176.600 0.145 0.000 1.018 261 E CA -0.848 55.758 56.400 0.343 0.000 0.816 261 E CB 3.060 33.001 29.700 0.402 0.000 1.356 261 E HN 0.372 nan 8.360 nan 0.000 0.462 262 V N 1.000 120.794 119.914 -0.200 0.000 2.588 262 V HA 0.528 4.651 4.120 0.005 0.000 0.304 262 V C -1.298 174.775 176.094 -0.034 0.000 1.042 262 V CA -0.790 61.465 62.300 -0.075 0.000 0.877 262 V CB 1.057 32.649 31.823 -0.384 0.000 0.996 262 V HN 0.612 nan 8.190 nan 0.000 0.425 263 W N 2.447 123.926 121.300 0.299 0.000 2.975 263 W HA 0.809 5.472 4.660 0.005 0.000 0.342 263 W C -0.096 176.605 176.519 0.304 0.000 1.168 263 W CA -0.733 56.823 57.345 0.352 0.000 1.141 263 W CB 1.858 31.652 29.460 0.557 0.000 1.445 263 W HN 0.404 nan 8.180 nan 0.000 0.560 264 R N 2.114 122.900 120.500 0.477 0.000 2.538 264 R HA 0.293 4.636 4.340 0.005 0.000 0.292 264 R C -1.163 175.063 176.300 -0.122 0.000 1.008 264 R CA -0.600 55.556 56.100 0.093 0.000 0.896 264 R CB 2.016 32.275 30.300 -0.068 0.000 1.187 264 R HN 0.619 nan 8.270 nan 0.000 0.440 265 Q N 3.351 122.866 119.800 -0.475 0.000 2.293 265 Q HA 0.173 4.516 4.340 0.005 0.000 0.261 265 Q C -1.065 174.760 176.000 -0.292 0.000 0.960 265 Q CA -0.686 54.631 55.803 -0.811 0.000 0.882 265 Q CB 1.454 29.369 28.738 -1.373 0.000 1.275 265 Q HN 0.545 nan 8.270 nan 0.000 0.445 266 N N 3.296 121.891 118.700 -0.176 0.000 2.442 266 N HA 0.046 4.790 4.740 0.005 0.000 0.265 266 N C 0.309 175.719 175.510 -0.167 0.000 1.138 266 N CA 0.373 53.388 53.050 -0.059 0.000 0.956 266 N CB 0.643 39.140 38.487 0.016 0.000 1.067 266 N HN 0.622 nan 8.380 nan 0.000 0.474 267 R N 1.773 122.148 120.500 -0.208 0.000 2.280 267 R HA 0.008 4.352 4.340 0.005 0.000 0.207 267 R C 0.794 177.031 176.300 -0.106 0.000 1.043 267 R CA 0.965 56.981 56.100 -0.140 0.000 1.006 267 R CB 0.303 30.523 30.300 -0.133 0.000 0.885 267 R HN 0.560 nan 8.270 nan 0.000 0.467 268 T N -0.877 113.600 114.554 -0.128 0.000 3.045 268 T HA -0.047 4.307 4.350 0.005 0.000 0.239 268 T C 1.858 176.519 174.700 -0.064 0.000 1.008 268 T CA 0.986 63.029 62.100 -0.095 0.000 1.143 268 T CB 0.202 69.005 68.868 -0.108 0.000 0.894 268 T HN 0.269 nan 8.240 nan 0.000 0.451 269 S N 0.598 116.263 115.700 -0.058 0.000 2.501 269 S HA 0.352 4.825 4.470 0.005 0.000 0.220 269 S C 2.006 176.599 174.600 -0.011 0.000 0.997 269 S CA 0.778 58.962 58.200 -0.026 0.000 0.919 269 S CB -0.274 62.919 63.200 -0.010 0.000 0.778 269 S HN 0.750 nan 8.310 nan 0.000 0.523 270 G N 1.184 109.962 108.800 -0.038 0.000 2.184 270 G HA2 -0.161 3.802 3.960 0.005 0.000 0.264 270 G HA3 -0.161 3.802 3.960 0.005 0.000 0.264 270 G C 0.277 175.172 174.900 -0.008 0.000 0.975 270 G CA 0.072 45.155 45.100 -0.028 0.000 0.642 270 G HN 1.354 nan 8.290 nan 0.000 0.536 271 A N -0.535 122.286 122.820 0.002 0.000 2.488 271 A HA 0.521 4.844 4.320 0.005 0.000 0.249 271 A C -0.002 177.604 177.584 0.037 0.000 1.083 271 A CA 0.187 52.275 52.037 0.084 0.000 0.768 271 A CB 0.222 19.274 19.000 0.087 0.000 1.017 271 A HN 0.620 nan 8.150 nan 0.000 0.496 272 W N 1.304 122.682 121.300 0.130 0.000 2.433 272 W HA 0.445 5.108 4.660 0.005 0.000 0.315 272 W C -0.482 176.247 176.519 0.349 0.000 1.087 272 W CA -0.029 57.451 57.345 0.224 0.000 1.205 272 W CB 1.513 31.038 29.460 0.109 0.000 1.288 272 W HN 0.570 nan 8.180 nan 0.000 0.504 273 D N 2.107 122.830 120.400 0.539 0.000 2.362 273 D HA 0.039 4.682 4.640 0.005 0.000 0.247 273 D C -1.121 175.226 176.300 0.079 0.000 1.050 273 D CA -0.579 53.601 54.000 0.300 0.000 0.839 273 D CB 2.075 42.928 40.800 0.088 0.000 1.283 273 D HN 0.256 nan 8.370 nan 0.000 0.477 274 D N 1.904 122.031 120.400 -0.456 0.000 2.352 274 D HA 0.100 4.743 4.640 0.005 0.000 0.245 274 D C 0.824 176.830 176.300 -0.489 0.000 1.224 274 D CA -0.285 53.032 54.000 -1.137 0.000 0.879 274 D CB 0.187 40.306 40.800 -1.134 0.000 1.057 274 D HN 0.409 nan 8.370 nan 0.000 0.491 275 I N 0.480 120.835 120.570 -0.358 0.000 3.877 275 I HA 0.264 4.437 4.170 0.005 0.000 0.332 275 I C -0.027 176.058 176.117 -0.054 0.000 1.525 275 I CA -0.642 60.622 61.300 -0.061 0.000 1.146 275 I CB 0.098 38.155 38.000 0.095 0.000 1.137 275 I HN -0.020 nan 8.210 nan 0.000 0.424 276 T N 4.700 119.054 114.554 -0.333 0.000 2.831 276 T HA 0.103 4.456 4.350 0.005 0.000 0.291 276 T C -2.308 172.110 174.700 -0.471 0.000 0.981 276 T CA -0.282 61.520 62.100 -0.496 0.000 1.174 276 T CB -0.176 68.468 68.868 -0.374 0.000 0.929 276 T HN 0.174 nan 8.240 nan 0.000 0.532 277 P HA 0.139 nan 4.420 nan 0.000 0.263 277 P C 0.082 177.103 177.300 -0.465 0.000 1.195 277 P CA 0.133 62.624 63.100 -1.015 0.000 0.762 277 P CB 0.392 30.869 31.700 -2.039 0.000 0.799 278 R N 0.558 120.917 120.500 -0.236 0.000 2.764 278 R HA 0.461 4.804 4.340 0.005 0.000 0.276 278 R C -1.544 174.743 176.300 -0.022 0.000 1.021 278 R CA -1.037 55.014 56.100 -0.082 0.000 0.870 278 R CB 0.193 30.456 30.300 -0.063 0.000 1.293 278 R HN -0.029 nan 8.270 nan 0.000 0.469 279 V N 1.411 121.327 119.914 0.004 0.000 2.485 279 V HA 0.328 4.451 4.120 0.005 0.000 0.287 279 V C 1.393 177.492 176.094 0.008 0.000 1.022 279 V CA 1.760 64.068 62.300 0.014 0.000 1.067 279 V CB 0.129 31.958 31.823 0.010 0.000 0.967 279 V HN 1.105 nan 8.190 nan 0.000 0.479 280 G N 4.778 113.587 108.800 0.015 0.000 2.259 280 G HA2 -0.235 3.728 3.960 0.005 0.000 0.217 280 G HA3 -0.235 3.728 3.960 0.005 0.000 0.217 280 G C 0.576 175.487 174.900 0.017 0.000 1.001 280 G CA 0.271 45.377 45.100 0.011 0.000 0.627 280 G HN 0.913 nan 8.290 nan 0.000 0.501 281 N N 0.436 119.157 118.700 0.034 0.000 2.171 281 N HA 0.320 5.064 4.740 0.005 0.000 0.212 281 N C 0.365 175.956 175.510 0.135 0.000 1.184 281 N CA 1.046 54.137 53.050 0.067 0.000 0.888 281 N CB 0.341 38.878 38.487 0.084 0.000 1.038 281 N HN 1.052 nan 8.380 nan 0.000 0.517 282 S N -1.406 114.360 115.700 0.109 0.000 2.569 282 S HA 0.727 5.200 4.470 0.005 0.000 0.280 282 S C -1.028 173.640 174.600 0.114 0.000 1.111 282 S CA -0.753 57.540 58.200 0.155 0.000 0.887 282 S CB 2.079 65.368 63.200 0.148 0.000 1.095 282 S HN 0.084 nan 8.310 nan 0.000 0.476 283 S N 1.570 117.343 115.700 0.123 0.000 2.575 283 S HA 0.711 5.184 4.470 0.005 0.000 0.278 283 S C -3.075 171.554 174.600 0.048 0.000 1.139 283 S CA -1.287 56.955 58.200 0.071 0.000 0.954 283 S CB 1.156 64.384 63.200 0.047 0.000 1.054 283 S HN 0.549 nan 8.310 nan 0.000 0.483 284 P HA 0.271 nan 4.420 nan 0.000 0.272 284 P C -0.719 176.612 177.300 0.052 0.000 1.230 284 P CA -0.278 62.831 63.100 0.016 0.000 0.788 284 P CB 0.316 32.002 31.700 -0.023 0.000 0.949 285 A N 3.352 126.211 122.820 0.064 0.000 2.586 285 A HA 0.193 4.516 4.320 0.005 0.000 0.231 285 A C -1.797 175.865 177.584 0.130 0.000 1.055 285 A CA -0.534 51.552 52.037 0.083 0.000 0.756 285 A CB -1.611 17.426 19.000 0.062 0.000 0.988 285 A HN 0.445 nan 8.150 nan 0.000 0.509 286 P HA -0.048 nan 4.420 nan 0.000 0.268 286 P C -0.408 177.051 177.300 0.265 0.000 1.208 286 P CA 0.211 63.450 63.100 0.232 0.000 0.777 286 P CB 0.161 31.975 31.700 0.190 0.000 0.875 287 Y N 3.348 123.803 120.300 0.259 0.000 2.805 287 Y HA -0.089 4.464 4.550 0.005 0.000 0.331 287 Y C 1.029 176.992 175.900 0.106 0.000 1.241 287 Y CA 0.207 58.428 58.100 0.202 0.000 1.546 287 Y CB -0.243 38.311 38.460 0.156 0.000 1.248 287 Y HN 0.359 nan 8.280 nan 0.000 0.559 288 N N 4.767 123.232 118.700 -0.392 0.000 2.456 288 N HA 0.136 4.879 4.740 0.005 0.000 0.288 288 N C -0.761 174.447 175.510 -0.504 0.000 1.059 288 N CA -0.266 52.602 53.050 -0.302 0.000 0.946 288 N CB 1.127 39.499 38.487 -0.192 0.000 1.150 288 N HN 0.831 nan 8.380 nan 0.000 0.479 289 N N 0.280 118.841 118.700 -0.232 0.000 2.924 289 N HA -0.190 4.553 4.740 0.005 0.000 0.246 289 N C -1.007 174.556 175.510 0.089 0.000 1.120 289 N CA 0.326 53.303 53.050 -0.121 0.000 0.691 289 N CB -1.118 37.275 38.487 -0.157 0.000 1.036 289 N HN 0.853 nan 8.380 nan 0.000 0.557 290 Q N 0.178 120.079 119.800 0.170 0.000 2.330 290 Q HA 0.245 4.589 4.340 0.005 0.000 0.279 290 Q C -0.366 175.827 176.000 0.321 0.000 1.024 290 Q CA 0.678 56.664 55.803 0.305 0.000 0.900 290 Q CB 0.536 29.463 28.738 0.314 0.000 1.221 290 Q HN 0.287 nan 8.270 nan 0.000 0.396 291 T N 4.851 119.526 114.554 0.203 0.000 2.889 291 T HA 0.231 4.584 4.350 0.005 0.000 0.291 291 T C -0.488 174.230 174.700 0.030 0.000 0.995 291 T CA -0.343 61.844 62.100 0.144 0.000 1.092 291 T CB 0.122 69.000 68.868 0.017 0.000 0.954 291 T HN 0.514 nan 8.240 nan 0.000 0.506 292 F N 6.189 126.018 119.950 -0.201 0.000 2.529 292 F HA 0.367 4.897 4.527 0.005 0.000 0.365 292 F C -1.826 173.702 175.800 -0.453 0.000 1.102 292 F CA -1.819 55.755 58.000 -0.711 0.000 1.271 292 F CB 0.502 39.050 39.000 -0.754 0.000 1.120 292 F HN 0.311 nan 8.300 nan 0.000 0.579 293 P HA 0.290 nan 4.420 nan 0.000 0.283 293 P C -0.769 176.020 177.300 -0.853 0.000 1.271 293 P CA -0.509 61.537 63.100 -1.757 0.000 0.841 293 P CB 1.643 32.304 31.700 -1.732 0.000 1.122 294 A N 0.796 123.205 122.820 -0.684 0.000 2.206 294 A HA 0.421 4.744 4.320 0.005 0.000 0.211 294 A C 1.137 178.527 177.584 -0.324 0.000 1.158 294 A CA 1.037 52.915 52.037 -0.265 0.000 0.761 294 A CB -1.456 17.562 19.000 0.030 0.000 0.801 294 A HN 0.937 nan 8.150 nan 0.000 0.473 295 G N -2.314 106.211 108.800 -0.458 0.000 2.782 295 G HA2 0.268 4.232 3.960 0.005 0.000 0.228 295 G HA3 0.268 4.232 3.960 0.005 0.000 0.228 295 G C 0.412 175.152 174.900 -0.265 0.000 1.372 295 G CA -0.321 44.569 45.100 -0.351 0.000 0.862 295 G HN 1.363 nan 8.290 nan 0.000 0.547 296 G N -1.836 106.849 108.800 -0.191 0.000 3.135 296 G HA2 0.835 4.798 3.960 0.005 0.000 0.159 296 G HA3 0.835 4.798 3.960 0.005 0.000 0.159 296 G C -1.121 173.590 174.900 -0.315 0.000 1.244 296 G CA -0.704 44.372 45.100 -0.040 0.000 0.965 296 G HN 0.879 nan 8.290 nan 0.000 0.599 297 F N -2.142 117.884 119.950 0.127 0.000 2.576 297 F HA 0.578 5.108 4.527 0.005 0.000 0.313 297 F C 0.476 176.322 175.800 0.076 0.000 1.078 297 F CA -0.616 57.438 58.000 0.090 0.000 0.921 297 F CB 2.302 41.356 39.000 0.090 0.000 1.232 297 F HN 0.578 nan 8.300 nan 0.000 0.459 298 C N 0.403 119.835 119.300 0.220 0.000 3.166 298 C HA 0.491 4.954 4.460 0.005 0.000 0.354 298 C C 1.167 176.236 174.990 0.131 0.000 2.030 298 C CA 0.598 59.697 59.018 0.135 0.000 1.866 298 C CB -0.239 27.547 27.740 0.075 0.000 2.020 298 C HN 1.008 nan 8.230 nan 0.000 0.618 299 G N 2.543 111.420 108.800 0.128 0.000 2.178 299 G HA2 0.370 4.334 3.960 0.005 0.000 0.244 299 G HA3 0.370 4.334 3.960 0.005 0.000 0.244 299 G C -1.009 173.968 174.900 0.130 0.000 1.213 299 G CA 0.828 46.003 45.100 0.124 0.000 0.912 299 G HN 0.819 nan 8.290 nan 0.000 0.474 300 L N 1.744 123.034 121.223 0.112 0.000 2.526 300 L HA 0.764 5.107 4.340 0.005 0.000 0.263 300 L C -0.582 176.343 176.870 0.091 0.000 0.943 300 L CA -0.587 54.313 54.840 0.100 0.000 0.859 300 L CB 2.375 44.492 42.059 0.096 0.000 1.313 300 L HN 0.567 nan 8.230 nan 0.000 0.406 301 S N 3.370 119.116 115.700 0.076 0.000 2.603 301 S HA 0.794 5.267 4.470 0.005 0.000 0.274 301 S C -1.594 173.029 174.600 0.038 0.000 1.168 301 S CA -0.436 57.807 58.200 0.072 0.000 0.963 301 S CB 1.408 64.661 63.200 0.089 0.000 1.078 301 S HN 0.504 nan 8.310 nan 0.000 0.477 302 V N 4.057 123.998 119.914 0.045 0.000 2.427 302 V HA 0.373 4.496 4.120 0.005 0.000 0.286 302 V C 0.142 176.262 176.094 0.044 0.000 1.034 302 V CA -0.842 61.476 62.300 0.031 0.000 0.893 302 V CB 1.660 33.539 31.823 0.094 0.000 0.982 302 V HN 0.916 nan 8.190 nan 0.000 0.452 303 D N 3.692 124.109 120.400 0.028 0.000 2.412 303 D HA 0.099 4.742 4.640 0.005 0.000 0.257 303 D C 1.087 177.400 176.300 0.022 0.000 1.217 303 D CA 0.543 54.557 54.000 0.024 0.000 0.897 303 D CB 1.700 42.508 40.800 0.014 0.000 1.132 303 D HN 0.660 nan 8.370 nan 0.000 0.493 304 A N 3.228 126.050 122.820 0.003 0.000 2.019 304 A HA -0.163 4.160 4.320 0.005 0.000 0.219 304 A C 1.937 179.499 177.584 -0.037 0.000 1.164 304 A CA 1.980 54.005 52.037 -0.020 0.000 0.644 304 A CB -0.453 18.509 19.000 -0.063 0.000 0.805 304 A HN 0.674 nan 8.150 nan 0.000 0.449 305 T N -3.883 110.646 114.554 -0.041 0.000 3.107 305 T HA 0.165 4.519 4.350 0.005 0.000 0.249 305 T C 0.312 175.006 174.700 -0.010 0.000 1.096 305 T CA 0.516 62.593 62.100 -0.039 0.000 1.012 305 T CB -0.137 68.703 68.868 -0.046 0.000 0.977 305 T HN 0.308 nan 8.240 nan 0.000 0.527 306 N N 1.282 119.986 118.700 0.007 0.000 2.932 306 N HA 0.266 5.009 4.740 0.005 0.000 0.242 306 N C -2.707 172.831 175.510 0.048 0.000 1.351 306 N CA -1.789 51.274 53.050 0.021 0.000 0.785 306 N CB 1.852 40.344 38.487 0.008 0.000 1.501 306 N HN -0.128 nan 8.380 nan 0.000 0.584 307 P HA -0.016 nan 4.420 nan 0.000 0.228 307 P C 0.119 177.557 177.300 0.230 0.000 1.151 307 P CA 0.726 63.921 63.100 0.158 0.000 0.770 307 P CB 0.413 32.200 31.700 0.146 0.000 0.786 308 N N -0.282 118.505 118.700 0.146 0.000 2.398 308 N HA -0.005 4.738 4.740 0.005 0.000 0.188 308 N C 0.728 176.223 175.510 -0.025 0.000 1.122 308 N CA 0.246 53.361 53.050 0.109 0.000 0.866 308 N CB 0.136 38.668 38.487 0.074 0.000 0.970 308 N HN 0.249 nan 8.380 nan 0.000 0.462 309 R N 1.360 121.845 120.500 -0.025 0.000 2.343 309 R HA 0.472 4.815 4.340 0.005 0.000 0.320 309 R C -1.024 175.225 176.300 -0.084 0.000 0.956 309 R CA -0.438 55.620 56.100 -0.070 0.000 0.836 309 R CB 0.562 30.843 30.300 -0.032 0.000 1.151 309 R HN 0.059 nan 8.270 nan 0.000 0.450 310 L N 1.702 122.850 121.223 -0.126 0.000 2.568 310 L HA 0.767 5.110 4.340 0.005 0.000 0.257 310 L C -1.191 175.722 176.870 0.072 0.000 1.024 310 L CA -1.203 53.578 54.840 -0.098 0.000 0.854 310 L CB 1.834 43.687 42.059 -0.343 0.000 1.460 310 L HN 0.337 nan 8.230 nan 0.000 0.409 311 V N -0.583 119.406 119.914 0.125 0.000 2.919 311 V HA 0.933 5.056 4.120 0.005 0.000 0.316 311 V C -0.713 175.498 176.094 0.195 0.000 1.077 311 V CA -0.747 61.690 62.300 0.229 0.000 0.977 311 V CB 1.852 33.781 31.823 0.176 0.000 1.039 311 V HN 0.705 nan 8.190 nan 0.000 0.441 312 V N 3.786 123.809 119.914 0.182 0.000 2.851 312 V HA 0.596 4.719 4.120 0.005 0.000 0.307 312 V C -0.826 175.375 176.094 0.179 0.000 1.129 312 V CA -0.252 62.111 62.300 0.104 0.000 0.932 312 V CB 2.002 33.721 31.823 -0.173 0.000 1.024 312 V HN 0.896 nan 8.190 nan 0.000 0.426 313 I N 3.296 124.002 120.570 0.227 0.000 2.533 313 I HA 0.429 4.602 4.170 0.005 0.000 0.290 313 I C 0.517 176.699 176.117 0.109 0.000 1.056 313 I CA -0.695 60.689 61.300 0.141 0.000 1.057 313 I CB 2.488 40.514 38.000 0.044 0.000 1.240 313 I HN 0.726 nan 8.210 nan 0.000 0.423 314 T N 4.080 118.567 114.554 -0.111 0.000 2.855 314 T HA 0.331 4.684 4.350 0.005 0.000 0.322 314 T C -0.406 174.176 174.700 -0.197 0.000 1.088 314 T CA -0.275 61.567 62.100 -0.429 0.000 1.104 314 T CB 1.219 69.852 68.868 -0.392 0.000 0.996 314 T HN 0.485 nan 8.240 nan 0.000 0.549 315 L N 1.916 123.006 121.223 -0.222 0.000 2.438 315 L HA 0.324 4.667 4.340 0.005 0.000 0.270 315 L C -0.771 176.043 176.870 -0.094 0.000 0.972 315 L CA -0.463 54.328 54.840 -0.082 0.000 0.831 315 L CB 1.553 43.582 42.059 -0.050 0.000 1.273 315 L HN 0.922 nan 8.230 nan 0.000 0.405 316 D N 1.690 122.086 120.400 -0.006 0.000 2.945 316 D HA -0.210 4.433 4.640 0.005 0.000 0.225 316 D C 0.478 176.688 176.300 -0.150 0.000 1.158 316 D CA 0.792 54.778 54.000 -0.023 0.000 0.805 316 D CB -0.733 40.047 40.800 -0.034 0.000 1.098 316 D HN 0.480 nan 8.370 nan 0.000 0.426 317 R N 1.515 121.922 120.500 -0.154 0.000 2.605 317 R HA 0.247 4.591 4.340 0.005 0.000 0.271 317 R C -0.823 175.368 176.300 -0.182 0.000 1.418 317 R CA 0.249 56.231 56.100 -0.197 0.000 1.102 317 R CB 0.159 30.363 30.300 -0.161 0.000 1.131 317 R HN 0.049 nan 8.270 nan 0.000 0.554 318 D N 3.256 123.518 120.400 -0.230 0.000 2.746 318 D HA 0.065 4.708 4.640 0.005 0.000 0.211 318 D C -2.323 173.823 176.300 -0.257 0.000 1.242 318 D CA -1.186 52.680 54.000 -0.223 0.000 0.790 318 D CB 1.905 42.611 40.800 -0.157 0.000 1.744 318 D HN 0.210 nan 8.370 nan 0.000 0.520 319 P HA 0.195 nan 4.420 nan 0.000 0.241 319 P C 0.857 177.994 177.300 -0.271 0.000 1.191 319 P CA 1.067 64.012 63.100 -0.259 0.000 0.771 319 P CB 0.273 31.835 31.700 -0.229 0.000 0.929 320 G N 1.432 110.080 108.800 -0.253 0.000 2.752 320 G HA2 -0.164 3.799 3.960 0.005 0.000 0.234 320 G HA3 -0.164 3.799 3.960 0.005 0.000 0.234 320 G C -2.701 172.045 174.900 -0.257 0.000 1.367 320 G CA -0.430 44.505 45.100 -0.275 0.000 0.879 320 G HN 0.217 nan 8.290 nan 0.000 0.563 321 P HA 0.508 nan 4.420 nan 0.000 0.272 321 P C 0.219 177.307 177.300 -0.354 0.000 1.223 321 P CA 0.625 63.387 63.100 -0.562 0.000 0.784 321 P CB 0.870 32.077 31.700 -0.821 0.000 0.923 322 A N 2.959 125.558 122.820 -0.370 0.000 2.332 322 A HA 0.418 4.741 4.320 0.005 0.000 0.258 322 A C 0.592 177.913 177.584 -0.439 0.000 1.087 322 A CA -0.558 51.084 52.037 -0.658 0.000 0.802 322 A CB -0.308 18.500 19.000 -0.320 0.000 1.042 322 A HN 0.530 nan 8.150 nan 0.000 0.489 323 L N 0.348 121.225 121.223 -0.576 0.000 2.482 323 L HA 0.175 4.518 4.340 0.005 0.000 0.242 323 L C 0.459 177.294 176.870 -0.059 0.000 1.210 323 L CA -0.803 53.862 54.840 -0.291 0.000 0.819 323 L CB 0.045 41.933 42.059 -0.286 0.000 1.203 323 L HN 0.614 nan 8.230 nan 0.000 0.495 324 D N 0.281 120.663 120.400 -0.030 0.000 2.478 324 D HA 0.061 4.704 4.640 0.005 0.000 0.234 324 D C -0.522 175.725 176.300 -0.089 0.000 1.154 324 D CA 0.652 54.628 54.000 -0.040 0.000 0.874 324 D CB 0.856 41.652 40.800 -0.007 0.000 1.198 324 D HN 0.349 nan 8.370 nan 0.000 0.455 325 S N 0.816 116.377 115.700 -0.233 0.000 2.542 325 S HA 0.532 5.005 4.470 0.005 0.000 0.293 325 S C 0.010 174.246 174.600 -0.606 0.000 1.089 325 S CA -0.698 57.165 58.200 -0.562 0.000 0.961 325 S CB 1.456 64.190 63.200 -0.776 0.000 1.062 325 S HN 0.247 nan 8.310 nan 0.000 0.483 326 I N 2.847 122.989 120.570 -0.714 0.000 2.336 326 I HA 0.376 4.550 4.170 0.005 0.000 0.292 326 I C -1.323 174.485 176.117 -0.515 0.000 0.991 326 I CA -0.516 60.522 61.300 -0.436 0.000 1.227 326 I CB 0.879 38.734 38.000 -0.241 0.000 1.366 326 I HN 0.573 nan 8.210 nan 0.000 0.466 327 Y N 6.153 126.420 120.300 -0.056 0.000 2.377 327 Y HA 0.535 5.089 4.550 0.005 0.000 0.339 327 Y C -0.245 175.832 175.900 0.295 0.000 1.011 327 Y CA -0.732 57.395 58.100 0.044 0.000 1.093 327 Y CB 1.698 40.030 38.460 -0.213 0.000 1.201 327 Y HN 0.338 nan 8.280 nan 0.000 0.455 328 L N 2.812 124.343 121.223 0.513 0.000 2.341 328 L HA 0.592 4.935 4.340 0.005 0.000 0.278 328 L C -0.689 176.334 176.870 0.255 0.000 1.005 328 L CA -0.379 54.679 54.840 0.364 0.000 0.818 328 L CB 1.801 43.967 42.059 0.178 0.000 1.259 328 L HN 0.686 nan 8.230 nan 0.000 0.418 329 S N 1.152 116.812 115.700 -0.067 0.000 2.503 329 S HA 0.478 4.951 4.470 0.005 0.000 0.301 329 S C 0.575 175.004 174.600 -0.284 0.000 1.087 329 S CA -0.233 57.675 58.200 -0.487 0.000 1.042 329 S CB 1.478 63.899 63.200 -1.298 0.000 1.043 329 S HN 0.743 nan 8.310 nan 0.000 0.489 330 T N -0.144 114.267 114.554 -0.237 0.000 3.134 330 T HA 0.255 4.608 4.350 0.005 0.000 0.260 330 T C -0.198 174.406 174.700 -0.160 0.000 1.027 330 T CA -0.092 61.914 62.100 -0.158 0.000 0.913 330 T CB -0.351 68.458 68.868 -0.099 0.000 1.046 330 T HN 0.631 nan 8.240 nan 0.000 0.553 331 D N 0.574 120.827 120.400 -0.244 0.000 2.837 331 D HA 0.499 5.142 4.640 0.005 0.000 0.340 331 D C 0.832 176.984 176.300 -0.246 0.000 1.451 331 D CA -0.414 53.469 54.000 -0.195 0.000 0.798 331 D CB -0.134 40.559 40.800 -0.179 0.000 1.169 331 D HN 0.331 nan 8.370 nan 0.000 0.449 332 A N -0.223 122.447 122.820 -0.249 0.000 2.872 332 A HA 0.140 4.463 4.320 0.005 0.000 0.273 332 A C 1.714 179.106 177.584 -0.320 0.000 1.442 332 A CA 1.215 53.127 52.037 -0.209 0.000 0.801 332 A CB -1.957 16.883 19.000 -0.266 0.000 1.031 332 A HN 1.696 nan 8.150 nan 0.000 0.582 333 G N -3.314 105.129 108.800 -0.596 0.000 2.176 333 G HA2 0.142 4.105 3.960 0.005 0.000 0.232 333 G HA3 0.142 4.105 3.960 0.005 0.000 0.232 333 G C 1.381 175.955 174.900 -0.543 0.000 0.986 333 G CA 1.179 45.854 45.100 -0.709 0.000 0.643 333 G HN 2.225 nan 8.290 nan 0.000 0.522 334 A N -0.367 122.188 122.820 -0.442 0.000 1.877 334 A HA 0.426 4.749 4.320 0.005 0.000 0.216 334 A C 1.710 179.122 177.584 -0.287 0.000 1.186 334 A CA 2.715 54.587 52.037 -0.275 0.000 0.620 334 A CB -0.450 18.430 19.000 -0.200 0.000 0.822 334 A HN 1.915 nan 8.150 nan 0.000 0.443 335 T N -5.833 108.464 114.554 -0.428 0.000 2.916 335 T HA 0.592 4.945 4.350 0.005 0.000 0.292 335 T C -1.135 173.225 174.700 -0.566 0.000 1.064 335 T CA -0.774 61.131 62.100 -0.325 0.000 1.011 335 T CB 1.327 70.103 68.868 -0.153 0.000 1.152 335 T HN 0.404 nan 8.240 nan 0.000 0.510 336 W N 0.101 121.371 121.300 -0.051 0.000 3.127 336 W HA 0.606 5.269 4.660 0.005 0.000 0.330 336 W C -0.626 175.919 176.519 0.043 0.000 1.187 336 W CA -0.988 56.355 57.345 -0.004 0.000 1.198 336 W CB 1.962 31.404 29.460 -0.031 0.000 1.408 336 W HN 0.371 nan 8.180 nan 0.000 0.529 337 K N 1.999 122.586 120.400 0.312 0.000 2.213 337 K HA 0.160 4.484 4.320 0.005 0.000 0.270 337 K C -0.803 175.925 176.600 0.214 0.000 1.002 337 K CA -0.760 55.646 56.287 0.198 0.000 0.868 337 K CB 1.656 34.216 32.500 0.100 0.000 1.093 337 K HN 0.407 nan 8.250 nan 0.000 0.454 338 D N 3.536 123.994 120.400 0.097 0.000 2.383 338 D HA 0.015 4.658 4.640 0.005 0.000 0.245 338 D C 0.900 177.022 176.300 -0.296 0.000 1.263 338 D CA -0.091 53.781 54.000 -0.213 0.000 0.936 338 D CB 0.651 41.277 40.800 -0.290 0.000 1.053 338 D HN 0.122 nan 8.370 nan 0.000 0.507 339 V N 3.490 123.244 119.914 -0.268 0.000 2.515 339 V HA -0.201 3.923 4.120 0.005 0.000 0.250 339 V C 2.389 178.267 176.094 -0.359 0.000 1.058 339 V CA 1.683 63.897 62.300 -0.143 0.000 1.064 339 V CB -0.498 31.350 31.823 0.041 0.000 0.675 339 V HN 0.544 nan 8.190 nan 0.000 0.461 340 T N -0.701 113.362 114.554 -0.818 0.000 2.770 340 T HA -0.201 4.152 4.350 0.005 0.000 0.263 340 T C 1.957 176.048 174.700 -1.015 0.000 1.039 340 T CA 1.434 62.704 62.100 -1.385 0.000 1.142 340 T CB -0.201 67.697 68.868 -1.617 0.000 0.868 340 T HN 0.506 nan 8.240 nan 0.000 0.435 341 Q N 0.439 119.580 119.800 -1.097 0.000 2.061 341 Q HA -0.037 4.306 4.340 0.005 0.000 0.204 341 Q C 2.396 178.127 176.000 -0.449 0.000 0.984 341 Q CA 1.247 56.438 55.803 -1.021 0.000 0.846 341 Q CB -0.418 27.716 28.738 -1.007 0.000 0.902 341 Q HN 0.461 nan 8.270 nan 0.000 0.421 342 L N 0.027 121.078 121.223 -0.287 0.000 2.191 342 L HA -0.136 4.208 4.340 0.005 0.000 0.212 342 L C 2.071 178.962 176.870 0.035 0.000 1.103 342 L CA 0.652 55.448 54.840 -0.073 0.000 0.769 342 L CB -0.116 41.939 42.059 -0.006 0.000 0.908 342 L HN 0.075 nan 8.230 nan 0.000 0.438 343 S N -1.473 114.257 115.700 0.050 0.000 2.603 343 S HA 0.013 4.486 4.470 0.005 0.000 0.220 343 S C 0.871 175.555 174.600 0.139 0.000 0.967 343 S CA 0.075 58.428 58.200 0.254 0.000 0.920 343 S CB 0.067 63.590 63.200 0.539 0.000 0.773 343 S HN 0.226 nan 8.310 nan 0.000 0.529 344 S N 2.419 118.124 115.700 0.010 0.000 2.525 344 S HA 0.475 4.949 4.470 0.005 0.000 0.290 344 S C -2.526 172.116 174.600 0.070 0.000 1.152 344 S CA -1.802 56.418 58.200 0.034 0.000 1.072 344 S CB 0.577 63.800 63.200 0.037 0.000 1.027 344 S HN 0.060 nan 8.310 nan 0.000 0.500 345 P HA 0.107 nan 4.420 nan 0.000 0.268 345 P C -0.282 177.073 177.300 0.091 0.000 1.208 345 P CA -0.264 62.877 63.100 0.069 0.000 0.777 345 P CB 0.249 31.976 31.700 0.045 0.000 0.875 346 S N 0.885 116.633 115.700 0.080 0.000 2.617 346 S HA 0.125 4.598 4.470 0.005 0.000 0.259 346 S C 0.372 175.031 174.600 0.099 0.000 1.301 346 S CA -0.203 58.054 58.200 0.097 0.000 0.984 346 S CB -0.462 62.784 63.200 0.076 0.000 0.954 346 S HN 0.478 nan 8.310 nan 0.000 0.572 347 N N -0.875 117.891 118.700 0.111 0.000 2.747 347 N HA -0.124 4.619 4.740 0.005 0.000 0.249 347 N C 0.070 175.627 175.510 0.077 0.000 1.107 347 N CA 0.942 54.046 53.050 0.090 0.000 0.707 347 N CB -1.872 36.654 38.487 0.064 0.000 1.054 347 N HN 0.601 nan 8.380 nan 0.000 0.555 348 L N -0.181 121.098 121.223 0.094 0.000 2.640 348 L HA 0.176 4.519 4.340 0.005 0.000 0.230 348 L C 0.470 177.282 176.870 -0.096 0.000 1.123 348 L CA -0.003 54.859 54.840 0.037 0.000 0.900 348 L CB 0.028 42.142 42.059 0.092 0.000 1.146 348 L HN 0.204 nan 8.230 nan 0.000 0.484 349 E N 0.438 120.603 120.200 -0.059 0.000 2.271 349 E HA -0.256 4.097 4.350 0.005 0.000 0.223 349 E C 1.100 177.325 176.600 -0.626 0.000 1.223 349 E CA 0.420 56.757 56.400 -0.105 0.000 0.704 349 E CB -1.283 28.397 29.700 -0.034 0.000 1.194 349 E HN 0.655 nan 8.360 nan 0.000 0.375 350 G N -0.048 108.117 108.800 -1.058 0.000 2.253 350 G HA2 -0.393 3.570 3.960 0.005 0.000 0.251 350 G HA3 -0.393 3.570 3.960 0.005 0.000 0.251 350 G C 0.151 173.868 174.900 -1.971 0.000 0.998 350 G CA 0.153 44.008 45.100 -2.075 0.000 0.621 350 G HN 0.445 nan 8.290 nan 0.000 0.524 351 N N 1.259 119.294 118.700 -1.109 0.000 2.968 351 N HA 0.396 5.139 4.740 0.005 0.000 0.271 351 N C 0.136 175.461 175.510 -0.308 0.000 1.174 351 N CA -0.574 52.038 53.050 -0.729 0.000 1.096 351 N CB 0.014 38.180 38.487 -0.536 0.000 1.403 351 N HN 0.562 nan 8.380 nan 0.000 0.522 352 W N 1.099 122.335 121.300 -0.107 0.000 2.158 352 W HA 0.414 5.077 4.660 0.005 0.000 0.339 352 W C 1.043 177.569 176.519 0.012 0.000 1.294 352 W CA -0.774 56.514 57.345 -0.094 0.000 1.231 352 W CB 0.632 29.937 29.460 -0.259 0.000 1.143 352 W HN 0.182 nan 8.180 nan 0.000 0.571 353 G N 0.312 109.213 108.800 0.169 0.000 2.660 353 G HA2 0.357 4.320 3.960 0.005 0.000 0.290 353 G HA3 0.357 4.320 3.960 0.005 0.000 0.290 353 G C -1.905 172.900 174.900 -0.158 0.000 1.432 353 G CA -1.016 44.071 45.100 -0.021 0.000 0.807 353 G HN 0.487 nan 8.290 nan 0.000 0.485 354 H N 0.647 119.630 119.070 -0.145 0.000 2.467 354 H HA 0.405 4.964 4.556 0.005 0.000 0.331 354 H C -2.010 173.265 175.328 -0.089 0.000 1.120 354 H CA -1.627 54.295 56.048 -0.209 0.000 1.270 354 H CB 1.850 31.270 29.762 -0.570 0.000 1.466 354 H HN 0.186 nan 8.280 nan 0.000 0.504 355 P HA -0.033 nan 4.420 nan 0.000 0.265 355 P C 0.783 178.150 177.300 0.112 0.000 1.193 355 P CA 0.088 63.234 63.100 0.076 0.000 0.765 355 P CB 0.620 32.372 31.700 0.087 0.000 0.823 356 T N 1.559 116.159 114.554 0.078 0.000 2.849 356 T HA -0.169 4.184 4.350 0.005 0.000 0.270 356 T C 1.620 176.366 174.700 0.077 0.000 1.066 356 T CA 1.647 63.798 62.100 0.085 0.000 1.130 356 T CB -0.693 68.201 68.868 0.044 0.000 0.864 356 T HN 0.499 nan 8.240 nan 0.000 0.481 357 N N 1.278 120.019 118.700 0.069 0.000 2.348 357 N HA -0.038 4.705 4.740 0.005 0.000 0.185 357 N C 1.720 177.289 175.510 0.098 0.000 1.019 357 N CA 1.075 54.162 53.050 0.062 0.000 0.880 357 N CB -0.299 38.221 38.487 0.053 0.000 0.965 357 N HN 0.414 nan 8.380 nan 0.000 0.437 358 A N -0.340 122.579 122.820 0.165 0.000 2.119 358 A HA 0.307 4.630 4.320 0.005 0.000 0.217 358 A C 1.297 179.038 177.584 0.261 0.000 1.153 358 A CA 0.765 52.955 52.037 0.255 0.000 0.692 358 A CB -0.521 18.652 19.000 0.289 0.000 0.799 358 A HN 0.312 nan 8.150 nan 0.000 0.458 359 A N 0.892 123.814 122.820 0.169 0.000 3.026 359 A HA 0.490 4.813 4.320 0.005 0.000 0.272 359 A C 0.418 177.891 177.584 -0.186 0.000 1.782 359 A CA -0.185 51.795 52.037 -0.095 0.000 1.451 359 A CB -0.538 18.412 19.000 -0.083 0.000 1.081 359 A HN 0.504 nan 8.150 nan 0.000 0.611 360 R N 0.125 120.541 120.500 -0.139 0.000 2.668 360 R HA 0.409 4.752 4.340 0.005 0.000 0.272 360 R C -1.344 174.996 176.300 0.066 0.000 1.019 360 R CA -0.912 55.127 56.100 -0.102 0.000 0.894 360 R CB 0.989 31.272 30.300 -0.027 0.000 1.228 360 R HN 0.436 nan 8.270 nan 0.000 0.460 361 Y N 1.578 121.862 120.300 -0.026 0.000 2.511 361 Y HA -0.073 4.480 4.550 0.005 0.000 0.347 361 Y C 1.791 177.716 175.900 0.041 0.000 1.257 361 Y CA -0.539 57.583 58.100 0.037 0.000 1.469 361 Y CB 0.346 38.825 38.460 0.032 0.000 1.353 361 Y HN 0.632 nan 8.280 nan 0.000 0.617 362 K N 0.729 121.243 120.400 0.189 0.000 2.211 362 K HA -0.202 4.121 4.320 0.005 0.000 0.204 362 K C 0.965 177.543 176.600 -0.036 0.000 1.047 362 K CA 1.841 58.061 56.287 -0.113 0.000 0.935 362 K CB -0.122 32.131 32.500 -0.412 0.000 0.728 362 K HN 0.762 nan 8.250 nan 0.000 0.452 363 D N -1.577 118.862 120.400 0.065 0.000 2.363 363 D HA 0.017 4.660 4.640 0.005 0.000 0.226 363 D C 1.093 177.421 176.300 0.048 0.000 1.020 363 D CA 0.872 54.903 54.000 0.051 0.000 0.892 363 D CB 0.222 41.068 40.800 0.076 0.000 0.900 363 D HN 0.372 nan 8.370 nan 0.000 0.531 364 G N -0.675 108.154 108.800 0.049 0.000 2.234 364 G HA2 -0.264 3.699 3.960 0.005 0.000 0.235 364 G HA3 -0.264 3.699 3.960 0.005 0.000 0.235 364 G C 0.485 175.361 174.900 -0.040 0.000 0.997 364 G CA 0.114 45.219 45.100 0.008 0.000 0.623 364 G HN 0.432 nan 8.290 nan 0.000 0.514 365 T N 5.005 119.521 114.554 -0.063 0.000 2.738 365 T HA 0.407 4.760 4.350 0.005 0.000 0.277 365 T C -1.757 172.714 174.700 -0.381 0.000 0.981 365 T CA 0.449 62.411 62.100 -0.230 0.000 1.211 365 T CB 1.218 69.882 68.868 -0.339 0.000 0.932 365 T HN 0.390 nan 8.240 nan 0.000 0.522 366 P HA 0.210 nan 4.420 nan 0.000 0.274 366 P C -0.660 176.420 177.300 -0.367 0.000 1.231 366 P CA -0.421 62.519 63.100 -0.266 0.000 0.790 366 P CB 0.709 32.311 31.700 -0.163 0.000 0.951 367 V N 4.744 124.421 119.914 -0.396 0.000 2.235 367 V HA 0.148 4.271 4.120 0.005 0.000 0.266 367 V C -1.520 174.242 176.094 -0.553 0.000 1.055 367 V CA -1.248 60.755 62.300 -0.496 0.000 0.844 367 V CB 0.809 32.274 31.823 -0.596 0.000 1.097 367 V HN 0.479 nan 8.190 nan 0.000 0.453 368 P HA -0.082 nan 4.420 nan 0.000 0.221 368 P C 1.637 178.804 177.300 -0.223 0.000 1.150 368 P CA 0.974 63.940 63.100 -0.223 0.000 0.800 368 P CB 0.090 31.728 31.700 -0.104 0.000 0.787 369 W N -0.636 120.560 121.300 -0.174 0.000 2.465 369 W HA 0.024 4.687 4.660 0.005 0.000 0.268 369 W C 0.986 177.293 176.519 -0.353 0.000 1.242 369 W CA -0.096 57.094 57.345 -0.258 0.000 1.248 369 W CB -1.462 27.820 29.460 -0.298 0.000 1.118 369 W HN -0.125 nan 8.180 nan 0.000 0.587 370 L N 3.453 124.149 121.223 -0.879 0.000 2.450 370 L HA -0.194 4.149 4.340 0.005 0.000 0.224 370 L C 1.915 178.767 176.870 -0.029 0.000 1.149 370 L CA 2.288 56.710 54.840 -0.697 0.000 0.816 370 L CB -0.979 40.597 42.059 -0.805 0.000 0.932 370 L HN -0.002 nan 8.230 nan 0.000 0.449 371 D N -2.159 118.241 120.400 0.000 0.000 2.355 371 D HA -0.181 4.462 4.640 0.005 0.000 0.218 371 D C 0.984 177.509 176.300 0.375 0.000 1.004 371 D CA -0.083 54.036 54.000 0.198 0.000 0.880 371 D CB -0.545 40.313 40.800 0.097 0.000 0.911 371 D HN 0.232 nan 8.370 nan 0.000 0.528 372 F N 0.411 120.454 119.950 0.156 0.000 3.090 372 F HA -0.304 4.226 4.527 0.005 0.000 0.282 372 F C 0.431 176.307 175.800 0.126 0.000 0.923 372 F CA 0.526 58.630 58.000 0.174 0.000 0.977 372 F CB -2.567 36.520 39.000 0.144 0.000 0.954 372 F HN -0.026 nan 8.300 nan 0.000 0.695 373 N N -0.381 118.437 118.700 0.197 0.000 2.650 373 N HA -0.319 4.424 4.740 0.005 0.000 0.249 373 N C 0.265 175.859 175.510 0.141 0.000 1.155 373 N CA 1.574 54.709 53.050 0.142 0.000 0.747 373 N CB -1.608 36.953 38.487 0.124 0.000 1.132 373 N HN 0.832 nan 8.380 nan 0.000 0.564 374 N N -1.751 117.049 118.700 0.168 0.000 2.710 374 N HA -0.212 4.531 4.740 0.005 0.000 0.249 374 N C 0.782 176.351 175.510 0.098 0.000 1.059 374 N CA 0.883 54.011 53.050 0.131 0.000 0.720 374 N CB -1.009 37.541 38.487 0.105 0.000 0.983 374 N HN 0.621 nan 8.380 nan 0.000 0.544 375 G N 0.453 109.329 108.800 0.126 0.000 2.631 375 G HA2 0.350 4.313 3.960 0.005 0.000 0.271 375 G HA3 0.350 4.313 3.960 0.005 0.000 0.271 375 G C -1.978 172.943 174.900 0.037 0.000 1.302 375 G CA -0.712 44.449 45.100 0.101 0.000 1.002 375 G HN 0.064 nan 8.290 nan 0.000 0.519 376 P HA 0.117 nan 4.420 nan 0.000 0.272 376 P C -0.615 176.731 177.300 0.077 0.000 1.223 376 P CA 0.060 63.128 63.100 -0.054 0.000 0.784 376 P CB 0.949 32.402 31.700 -0.412 0.000 0.923 377 Q N 0.775 120.577 119.800 0.002 0.000 2.205 377 Q HA 0.554 4.897 4.340 0.005 0.000 0.249 377 Q C -0.668 175.423 176.000 0.152 0.000 0.948 377 Q CA -0.270 55.457 55.803 -0.126 0.000 0.895 377 Q CB 1.155 29.738 28.738 -0.258 0.000 1.249 377 Q HN 0.569 nan 8.270 nan 0.000 0.458 378 W N -1.394 119.958 121.300 0.086 0.000 2.940 378 W HA 0.667 5.330 4.660 0.005 0.000 0.394 378 W C -0.590 175.922 176.519 -0.012 0.000 1.155 378 W CA -1.448 55.915 57.345 0.030 0.000 1.165 378 W CB -0.096 29.388 29.460 0.040 0.000 1.492 378 W HN 0.658 nan 8.180 nan 0.000 0.593 379 G N 0.871 109.828 108.800 0.261 0.000 2.299 379 G HA2 0.413 4.377 3.960 0.005 0.000 0.256 379 G HA3 0.413 4.377 3.960 0.005 0.000 0.256 379 G C 0.924 175.858 174.900 0.056 0.000 1.259 379 G CA 0.484 45.638 45.100 0.089 0.000 0.943 379 G HN 2.116 nan 8.290 nan 0.000 0.479 380 G N 0.924 109.662 108.800 -0.102 0.000 2.162 380 G HA2 -0.259 3.704 3.960 0.005 0.000 0.260 380 G HA3 -0.259 3.704 3.960 0.005 0.000 0.260 380 G C 0.048 174.799 174.900 -0.247 0.000 0.976 380 G CA 0.978 45.982 45.100 -0.160 0.000 0.655 380 G HN 1.620 nan 8.290 nan 0.000 0.533 381 Y N -0.252 119.688 120.300 -0.600 0.000 2.344 381 Y HA 0.522 5.075 4.550 0.005 0.000 0.328 381 Y C 0.709 176.061 175.900 -0.913 0.000 1.067 381 Y CA -0.239 57.318 58.100 -0.905 0.000 1.247 381 Y CB 1.257 38.801 38.460 -1.527 0.000 1.113 381 Y HN 0.275 nan 8.280 nan 0.000 0.465 382 G N 2.572 110.594 108.800 -1.298 0.000 3.274 382 G HA2 0.271 4.234 3.960 0.005 0.000 0.250 382 G HA3 0.271 4.234 3.960 0.005 0.000 0.250 382 G C 1.171 175.264 174.900 -1.345 0.000 1.024 382 G CA 0.405 44.835 45.100 -1.116 0.000 0.840 382 G HN 0.829 nan 8.290 nan 0.000 0.522 383 A N 1.623 123.314 122.820 -1.883 0.000 1.869 383 A HA 0.035 4.358 4.320 0.005 0.000 0.218 383 A C -0.623 176.257 177.584 -1.174 0.000 1.203 383 A CA 1.171 52.030 52.037 -1.963 0.000 0.638 383 A CB -1.287 16.218 19.000 -2.492 0.000 0.831 383 A HN 0.372 nan 8.150 nan 0.000 0.450 384 P HA 0.075 nan 4.420 nan 0.000 0.276 384 P C -0.560 176.633 177.300 -0.179 0.000 1.230 384 P CA 0.064 63.008 63.100 -0.260 0.000 0.776 384 P CB 0.267 31.926 31.700 -0.069 0.000 0.888 385 H N 2.015 121.034 119.070 -0.085 0.000 2.683 385 H HA 0.113 4.672 4.556 0.005 0.000 0.339 385 H C 1.734 177.024 175.328 -0.063 0.000 1.081 385 H CA 0.741 56.742 56.048 -0.079 0.000 1.432 385 H CB 1.040 30.793 29.762 -0.015 0.000 1.462 385 H HN 0.584 nan 8.280 nan 0.000 0.557 386 G N 3.501 112.263 108.800 -0.063 0.000 2.448 386 G HA2 -0.157 3.806 3.960 0.005 0.000 0.219 386 G HA3 -0.157 3.806 3.960 0.005 0.000 0.219 386 G C 0.355 175.349 174.900 0.156 0.000 1.127 386 G CA 0.510 45.620 45.100 0.016 0.000 0.766 386 G HN 0.547 nan 8.290 nan 0.000 0.552 387 T N 2.778 117.571 114.554 0.398 0.000 2.743 387 T HA 0.437 4.790 4.350 0.005 0.000 0.293 387 T C -2.487 172.254 174.700 0.069 0.000 0.945 387 T CA -1.026 61.180 62.100 0.176 0.000 1.030 387 T CB 1.979 70.925 68.868 0.131 0.000 0.912 387 T HN -0.088 nan 8.240 nan 0.000 0.483 388 P HA 0.214 nan 4.420 nan 0.000 0.266 388 P C 1.066 178.371 177.300 0.008 0.000 1.195 388 P CA 0.748 63.869 63.100 0.036 0.000 0.768 388 P CB 0.362 32.083 31.700 0.035 0.000 0.838 389 G N 1.406 110.213 108.800 0.012 0.000 2.176 389 G HA2 -0.204 3.759 3.960 0.005 0.000 0.253 389 G HA3 -0.204 3.759 3.960 0.005 0.000 0.253 389 G C -0.210 174.677 174.900 -0.021 0.000 0.979 389 G CA -0.306 44.795 45.100 0.002 0.000 0.641 389 G HN 0.449 nan 8.290 nan 0.000 0.530 390 L N 0.588 121.769 121.223 -0.070 0.000 2.342 390 L HA 0.713 5.056 4.340 0.005 0.000 0.271 390 L C 0.154 176.990 176.870 -0.057 0.000 1.008 390 L CA -0.812 53.929 54.840 -0.166 0.000 0.818 390 L CB 2.212 43.950 42.059 -0.535 0.000 1.296 390 L HN 0.076 nan 8.230 nan 0.000 0.427 391 T N 1.055 115.619 114.554 0.017 0.000 2.888 391 T HA 0.325 4.678 4.350 0.005 0.000 0.284 391 T C -0.126 174.671 174.700 0.161 0.000 1.017 391 T CA -0.738 61.468 62.100 0.178 0.000 1.022 391 T CB 1.823 70.857 68.868 0.277 0.000 1.013 391 T HN 0.377 nan 8.240 nan 0.000 0.465 392 K N 1.192 121.763 120.400 0.286 0.000 2.319 392 K HA 0.148 4.471 4.320 0.005 0.000 0.265 392 K C 0.754 177.402 176.600 0.080 0.000 1.000 392 K CA -0.169 56.281 56.287 0.272 0.000 0.943 392 K CB 0.393 33.097 32.500 0.340 0.000 0.950 392 K HN 0.520 nan 8.250 nan 0.000 0.485 393 F N 0.703 120.512 119.950 -0.235 0.000 2.102 393 F HA -0.100 4.430 4.527 0.005 0.000 0.298 393 F C 1.025 176.644 175.800 -0.301 0.000 1.105 393 F CA 2.095 59.720 58.000 -0.625 0.000 1.239 393 F CB 0.287 38.907 39.000 -0.633 0.000 0.991 393 F HN 0.683 nan 8.300 nan 0.000 0.474 394 G N -2.227 106.630 108.800 0.095 0.000 2.316 394 G HA2 0.355 4.318 3.960 0.005 0.000 0.296 394 G HA3 0.355 4.318 3.960 0.005 0.000 0.296 394 G C -2.344 172.666 174.900 0.184 0.000 1.399 394 G CA -0.447 44.666 45.100 0.020 0.000 0.833 394 G HN 0.439 nan 8.290 nan 0.000 0.565 395 W N -3.172 118.176 121.300 0.081 0.000 3.118 395 W HA 0.645 5.308 4.660 0.005 0.000 0.328 395 W C -0.693 175.969 176.519 0.238 0.000 1.239 395 W CA -1.871 55.512 57.345 0.063 0.000 1.176 395 W CB 0.688 30.075 29.460 -0.123 0.000 1.433 395 W HN 0.935 nan 8.180 nan 0.000 0.562 396 W N 1.784 123.180 121.300 0.159 0.000 5.770 396 W HA -0.252 4.411 4.660 0.005 0.000 0.389 396 W C -0.017 176.584 176.519 0.137 0.000 1.469 396 W CA -0.390 57.005 57.345 0.084 0.000 0.975 396 W CB -2.031 27.369 29.460 -0.099 0.000 2.622 396 W HN 0.473 nan 8.180 nan 0.000 1.500 397 M N 1.051 120.816 119.600 0.275 0.000 3.422 397 M HA 0.096 4.579 4.480 0.005 0.000 0.248 397 M C 1.532 177.949 176.300 0.195 0.000 1.433 397 M CA 0.779 56.209 55.300 0.218 0.000 1.592 397 M CB -0.074 32.572 32.600 0.076 0.000 1.078 397 M HN 0.131 nan 8.290 nan 0.000 0.578 398 S N -0.586 115.263 115.700 0.248 0.000 2.492 398 S HA 0.283 4.756 4.470 0.005 0.000 0.218 398 S C 0.915 175.600 174.600 0.141 0.000 1.016 398 S CA -0.244 58.062 58.200 0.177 0.000 0.916 398 S CB 0.347 63.657 63.200 0.183 0.000 0.791 398 S HN 0.545 nan 8.310 nan 0.000 0.513 399 A N 1.656 124.565 122.820 0.148 0.000 2.276 399 A HA 0.766 5.089 4.320 0.005 0.000 0.300 399 A C -0.521 177.154 177.584 0.152 0.000 1.235 399 A CA -0.609 51.492 52.037 0.107 0.000 0.867 399 A CB 0.987 20.015 19.000 0.046 0.000 1.137 399 A HN 0.775 nan 8.150 nan 0.000 0.527 400 V N 4.188 124.184 119.914 0.138 0.000 3.048 400 V HA 0.711 4.834 4.120 0.005 0.000 0.303 400 V C -1.864 174.305 176.094 0.124 0.000 1.214 400 V CA -0.671 61.726 62.300 0.161 0.000 0.984 400 V CB 2.116 34.045 31.823 0.177 0.000 1.054 400 V HN 0.960 nan 8.190 nan 0.000 0.430 401 L N 6.492 127.781 121.223 0.110 0.000 2.580 401 L HA 0.582 4.925 4.340 0.005 0.000 0.266 401 L C -1.226 175.674 176.870 0.050 0.000 0.955 401 L CA -0.373 54.516 54.840 0.083 0.000 0.886 401 L CB 1.892 43.999 42.059 0.080 0.000 1.263 401 L HN 0.728 nan 8.230 nan 0.000 0.406 402 I N 3.847 124.455 120.570 0.062 0.000 2.416 402 I HA 0.110 4.284 4.170 0.005 0.000 0.288 402 I C 0.279 176.434 176.117 0.063 0.000 1.051 402 I CA -0.161 61.168 61.300 0.048 0.000 1.375 402 I CB 1.026 39.060 38.000 0.056 0.000 1.407 402 I HN 0.511 nan 8.210 nan 0.000 0.516 403 D N 9.784 130.231 120.400 0.078 0.000 2.371 403 D HA 0.075 4.718 4.640 0.005 0.000 0.256 403 D C -1.405 174.975 176.300 0.133 0.000 1.193 403 D CA -2.097 51.998 54.000 0.158 0.000 0.881 403 D CB 1.385 42.367 40.800 0.304 0.000 1.143 403 D HN 0.261 nan 8.370 nan 0.000 0.473 404 P HA -0.109 nan 4.420 nan 0.000 0.222 404 P C 0.720 177.872 177.300 -0.246 0.000 1.147 404 P CA 0.884 63.953 63.100 -0.052 0.000 0.790 404 P CB 0.026 31.702 31.700 -0.041 0.000 0.780 405 F N -1.258 118.747 119.950 0.092 0.000 2.682 405 F HA 0.308 4.838 4.527 0.005 0.000 0.308 405 F C 0.708 176.550 175.800 0.069 0.000 1.093 405 F CA -0.186 57.860 58.000 0.076 0.000 1.244 405 F CB 0.198 39.243 39.000 0.075 0.000 1.052 405 F HN -0.120 nan 8.300 nan 0.000 0.573 406 N N 0.036 118.858 118.700 0.203 0.000 2.747 406 N HA 0.222 4.965 4.740 0.005 0.000 0.262 406 N C -2.747 172.849 175.510 0.143 0.000 1.261 406 N CA -1.611 51.531 53.050 0.153 0.000 0.809 406 N CB 1.390 39.965 38.487 0.145 0.000 1.450 406 N HN -0.260 nan 8.380 nan 0.000 0.560 407 P HA 0.098 nan 4.420 nan 0.000 0.242 407 P C 0.530 177.871 177.300 0.069 0.000 1.197 407 P CA 0.543 63.682 63.100 0.066 0.000 0.765 407 P CB 0.507 32.227 31.700 0.033 0.000 0.936 408 E N -1.607 118.645 120.200 0.087 0.000 2.442 408 E HA -0.037 4.316 4.350 0.005 0.000 0.195 408 E C 0.363 177.032 176.600 0.115 0.000 1.030 408 E CA 0.335 56.782 56.400 0.078 0.000 0.869 408 E CB -0.289 29.452 29.700 0.068 0.000 0.857 408 E HN 0.475 nan 8.360 nan 0.000 0.505 409 H N 0.372 119.460 119.070 0.029 0.000 2.556 409 H HA 0.403 4.962 4.556 0.005 0.000 0.310 409 H C -0.999 174.353 175.328 0.041 0.000 1.057 409 H CA -0.462 55.603 56.048 0.029 0.000 1.264 409 H CB 0.593 30.382 29.762 0.045 0.000 1.404 409 H HN -0.019 nan 8.280 nan 0.000 0.462 410 L N 5.832 126.918 121.223 -0.228 0.000 2.362 410 L HA 0.496 4.839 4.340 0.005 0.000 0.271 410 L C -1.512 175.229 176.870 -0.214 0.000 1.002 410 L CA -0.677 54.075 54.840 -0.147 0.000 0.818 410 L CB 1.882 43.992 42.059 0.086 0.000 1.298 410 L HN 0.682 nan 8.230 nan 0.000 0.420 411 M N 4.822 124.344 119.600 -0.130 0.000 2.464 411 M HA 0.459 4.942 4.480 0.005 0.000 0.308 411 M C -1.702 174.676 176.300 0.131 0.000 1.127 411 M CA -0.588 54.669 55.300 -0.071 0.000 0.913 411 M CB 2.085 34.603 32.600 -0.137 0.000 1.689 411 M HN 0.534 nan 8.290 nan 0.000 0.445 412 Y N -0.231 120.119 120.300 0.083 0.000 2.457 412 Y HA 0.901 5.454 4.550 0.005 0.000 0.343 412 Y C -0.239 175.692 175.900 0.052 0.000 0.994 412 Y CA -1.388 56.757 58.100 0.075 0.000 1.031 412 Y CB 0.842 39.359 38.460 0.095 0.000 1.246 412 Y HN 0.716 nan 8.280 nan 0.000 0.449 413 G N 1.321 110.224 108.800 0.172 0.000 2.507 413 G HA2 0.504 4.467 3.960 0.005 0.000 0.271 413 G HA3 0.504 4.467 3.960 0.005 0.000 0.271 413 G C -0.401 174.626 174.900 0.213 0.000 1.189 413 G CA 0.052 45.211 45.100 0.097 0.000 0.859 413 G HN 1.106 nan 8.290 nan 0.000 0.542 414 T N -2.985 111.631 114.554 0.104 0.000 2.669 414 T HA 0.534 4.887 4.350 0.005 0.000 0.283 414 T C 1.436 176.178 174.700 0.070 0.000 1.019 414 T CA 0.234 62.319 62.100 -0.025 0.000 1.039 414 T CB 1.330 69.965 68.868 -0.389 0.000 1.374 414 T HN 0.835 nan 8.240 nan 0.000 0.523 415 G N -0.709 107.915 108.800 -0.294 0.000 2.708 415 G HA2 0.350 4.313 3.960 0.005 0.000 0.210 415 G HA3 0.350 4.313 3.960 0.005 0.000 0.210 415 G C 0.928 175.910 174.900 0.138 0.000 1.141 415 G CA 0.595 45.696 45.100 0.000 0.000 0.788 415 G HN 1.235 nan 8.290 nan 0.000 0.531 416 A N -2.030 120.802 122.820 0.019 0.000 2.425 416 A HA 0.588 4.911 4.320 0.005 0.000 0.201 416 A C 0.621 178.298 177.584 0.154 0.000 1.431 416 A CA 1.190 53.357 52.037 0.216 0.000 1.066 416 A CB 0.858 20.118 19.000 0.434 0.000 1.318 416 A HN 0.366 nan 8.150 nan 0.000 0.534 417 T N -1.215 113.329 114.554 -0.017 0.000 2.658 417 T HA 0.520 4.873 4.350 0.005 0.000 0.305 417 T C -2.134 172.443 174.700 -0.205 0.000 1.551 417 T CA -0.294 61.727 62.100 -0.132 0.000 0.985 417 T CB 0.686 69.377 68.868 -0.294 0.000 1.731 417 T HN 0.268 nan 8.240 nan 0.000 0.486 418 I N 1.707 122.098 120.570 -0.298 0.000 2.418 418 I HA 0.463 4.636 4.170 0.005 0.000 0.287 418 I C -1.125 174.703 176.117 -0.483 0.000 1.008 418 I CA -0.626 60.494 61.300 -0.299 0.000 1.104 418 I CB 1.614 39.517 38.000 -0.161 0.000 1.264 418 I HN 0.565 nan 8.210 nan 0.000 0.438 419 W N 5.289 126.175 121.300 -0.691 0.000 2.449 419 W HA 0.738 5.401 4.660 0.005 0.000 0.331 419 W C 0.118 176.278 176.519 -0.599 0.000 1.119 419 W CA -0.154 56.719 57.345 -0.786 0.000 1.240 419 W CB 1.740 30.380 29.460 -1.367 0.000 1.251 419 W HN 0.463 nan 8.180 nan 0.000 0.576 420 A N 1.468 124.189 122.820 -0.166 0.000 2.556 420 A HA 0.778 5.101 4.320 0.005 0.000 0.294 420 A C -1.171 176.188 177.584 -0.375 0.000 1.091 420 A CA -0.617 51.253 52.037 -0.277 0.000 0.704 420 A CB 2.001 20.682 19.000 -0.532 0.000 1.300 420 A HN 0.377 nan 8.150 nan 0.000 0.406 421 T N -0.726 113.623 114.554 -0.343 0.000 2.906 421 T HA 0.526 4.879 4.350 0.005 0.000 0.295 421 T C -0.949 173.790 174.700 0.064 0.000 1.061 421 T CA -0.409 61.476 62.100 -0.359 0.000 1.000 421 T CB 1.272 69.541 68.868 -0.997 0.000 1.103 421 T HN 0.457 nan 8.240 nan 0.000 0.486 422 D N 1.836 122.356 120.400 0.200 0.000 2.363 422 D HA 0.157 4.800 4.640 0.005 0.000 0.214 422 D C 0.878 177.217 176.300 0.065 0.000 1.093 422 D CA 0.301 54.413 54.000 0.186 0.000 0.837 422 D CB 0.644 41.538 40.800 0.158 0.000 0.948 422 D HN 0.662 nan 8.370 nan 0.000 0.507 423 T N -1.469 113.070 114.554 -0.025 0.000 3.697 423 T HA 0.138 4.491 4.350 0.005 0.000 0.260 423 T C 1.168 175.828 174.700 -0.068 0.000 0.998 423 T CA -0.428 61.655 62.100 -0.028 0.000 1.128 423 T CB -0.074 68.785 68.868 -0.014 0.000 1.082 423 T HN -0.151 nan 8.240 nan 0.000 0.541 424 L N 1.738 122.923 121.223 -0.064 0.000 2.081 424 L HA 0.050 4.393 4.340 0.005 0.000 0.212 424 L C 2.156 179.031 176.870 0.007 0.000 1.080 424 L CA 1.773 56.584 54.840 -0.048 0.000 0.754 424 L CB -0.727 41.331 42.059 -0.001 0.000 0.893 424 L HN 0.421 nan 8.230 nan 0.000 0.433 425 S N -0.674 115.036 115.700 0.016 0.000 2.607 425 S HA 0.012 4.485 4.470 0.005 0.000 0.224 425 S C 1.763 176.375 174.600 0.019 0.000 0.969 425 S CA -0.126 58.083 58.200 0.014 0.000 0.927 425 S CB -0.379 62.823 63.200 0.004 0.000 0.772 425 S HN 0.395 nan 8.310 nan 0.000 0.533 426 R N 1.086 121.624 120.500 0.064 0.000 2.133 426 R HA -0.122 4.222 4.340 0.005 0.000 0.247 426 R C 2.310 178.666 176.300 0.093 0.000 1.151 426 R CA 1.670 57.858 56.100 0.148 0.000 0.971 426 R CB -1.259 29.166 30.300 0.209 0.000 0.866 426 R HN 0.575 nan 8.270 nan 0.000 0.447 427 V N -0.783 119.170 119.914 0.066 0.000 2.913 427 V HA -0.088 4.035 4.120 0.005 0.000 0.260 427 V C 1.685 177.764 176.094 -0.025 0.000 1.098 427 V CA 1.389 63.717 62.300 0.047 0.000 1.121 427 V CB -0.295 31.566 31.823 0.063 0.000 0.714 427 V HN 0.003 nan 8.190 nan 0.000 0.487 428 E N 1.624 121.786 120.200 -0.063 0.000 2.265 428 E HA -0.121 4.232 4.350 0.005 0.000 0.196 428 E C 1.675 178.160 176.600 -0.193 0.000 0.996 428 E CA 1.274 57.610 56.400 -0.107 0.000 0.832 428 E CB -0.191 29.447 29.700 -0.104 0.000 0.756 428 E HN 0.750 nan 8.360 nan 0.000 0.491 429 K N 0.272 120.483 120.400 -0.314 0.000 2.455 429 K HA 0.080 4.403 4.320 0.005 0.000 0.206 429 K C -0.629 175.741 176.600 -0.382 0.000 1.027 429 K CA -0.018 55.952 56.287 -0.529 0.000 1.113 429 K CB 0.707 32.494 32.500 -1.188 0.000 0.850 429 K HN -0.141 nan 8.250 nan 0.000 0.503 430 D N -0.251 120.073 120.400 -0.126 0.000 2.870 430 D HA -0.166 4.477 4.640 0.005 0.000 0.228 430 D C -0.880 175.573 176.300 0.255 0.000 1.147 430 D CA 0.900 54.924 54.000 0.040 0.000 0.757 430 D CB -0.605 40.217 40.800 0.037 0.000 1.091 430 D HN 0.262 nan 8.370 nan 0.000 0.429 431 W N 0.503 121.813 121.300 0.016 0.000 2.497 431 W HA 0.770 5.433 4.660 0.005 0.000 0.359 431 W C 0.493 177.034 176.519 0.037 0.000 1.131 431 W CA -1.475 55.885 57.345 0.024 0.000 1.280 431 W CB 0.435 29.907 29.460 0.020 0.000 1.319 431 W HN -0.046 nan 8.180 nan 0.000 0.626 432 A N 3.520 126.500 122.820 0.267 0.000 2.320 432 A HA 0.603 4.926 4.320 0.005 0.000 0.287 432 A C -2.257 175.425 177.584 0.163 0.000 1.181 432 A CA -1.318 50.846 52.037 0.211 0.000 0.831 432 A CB -0.320 18.790 19.000 0.184 0.000 1.102 432 A HN 0.231 nan 8.150 nan 0.000 0.513 433 P HA 0.137 nan 4.420 nan 0.000 0.269 433 P C -0.286 176.881 177.300 -0.221 0.000 1.215 433 P CA 0.129 63.140 63.100 -0.149 0.000 0.780 433 P CB 0.625 32.059 31.700 -0.444 0.000 0.898 434 S N 1.422 116.983 115.700 -0.231 0.000 2.475 434 S HA 0.364 4.837 4.470 0.005 0.000 0.281 434 S C -0.839 173.665 174.600 -0.161 0.000 1.198 434 S CA -0.313 57.843 58.200 -0.072 0.000 1.063 434 S CB -0.039 63.178 63.200 0.029 0.000 0.972 434 S HN 0.320 nan 8.310 nan 0.000 0.486 435 W N 2.703 124.096 121.300 0.154 0.000 2.639 435 W HA 0.670 5.333 4.660 0.005 0.000 0.347 435 W C -0.348 176.330 176.519 0.266 0.000 1.067 435 W CA -0.718 56.691 57.345 0.107 0.000 1.218 435 W CB 0.798 30.160 29.460 -0.163 0.000 1.393 435 W HN 0.733 nan 8.180 nan 0.000 0.557 436 Y N -1.470 119.069 120.300 0.399 0.000 2.705 436 Y HA 0.738 5.291 4.550 0.005 0.000 0.332 436 Y C -1.540 174.370 175.900 0.016 0.000 1.221 436 Y CA -2.171 56.037 58.100 0.180 0.000 1.059 436 Y CB 0.746 39.273 38.460 0.112 0.000 1.298 436 Y HN 0.209 nan 8.280 nan 0.000 0.459 437 L N 2.338 123.548 121.223 -0.022 0.000 2.265 437 L HA 0.431 4.774 4.340 0.005 0.000 0.289 437 L C -0.123 176.776 176.870 0.048 0.000 1.033 437 L CA -0.459 54.217 54.840 -0.274 0.000 0.814 437 L CB 1.649 43.506 42.059 -0.336 0.000 1.203 437 L HN 0.753 nan 8.230 nan 0.000 0.423 438 Q N 3.424 123.198 119.800 -0.043 0.000 3.035 438 Q HA 0.222 4.566 4.340 0.005 0.000 0.354 438 Q C 0.113 176.269 176.000 0.259 0.000 1.247 438 Q CA -0.027 55.851 55.803 0.125 0.000 1.068 438 Q CB 0.463 29.220 28.738 0.032 0.000 1.424 438 Q HN 0.728 nan 8.270 nan 0.000 0.486 439 I N -0.088 120.565 120.570 0.138 0.000 4.442 439 I HA 0.179 4.352 4.170 0.005 0.000 0.331 439 I C -0.476 175.692 176.117 0.085 0.000 1.364 439 I CA -0.116 61.260 61.300 0.127 0.000 1.207 439 I CB 0.937 38.926 38.000 -0.019 0.000 1.298 439 I HN 0.260 nan 8.210 nan 0.000 0.463 440 D N 0.717 121.013 120.400 -0.173 0.000 2.417 440 D HA 0.423 5.067 4.640 0.005 0.000 0.250 440 D C 1.265 177.589 176.300 0.040 0.000 1.166 440 D CA 1.653 55.422 54.000 -0.384 0.000 0.881 440 D CB 0.742 41.041 40.800 -0.836 0.000 1.164 440 D HN 0.446 nan 8.370 nan 0.000 0.467 441 G N 3.502 112.354 108.800 0.087 0.000 2.349 441 G HA2 -0.219 3.744 3.960 0.005 0.000 0.213 441 G HA3 -0.219 3.744 3.960 0.005 0.000 0.213 441 G C 0.553 175.579 174.900 0.210 0.000 1.044 441 G CA -0.072 45.148 45.100 0.200 0.000 0.633 441 G HN 0.550 nan 8.290 nan 0.000 0.506 442 I N 2.282 122.850 120.570 -0.004 0.000 2.396 442 I HA 0.368 4.541 4.170 0.005 0.000 0.289 442 I C -0.433 175.674 176.117 -0.017 0.000 1.056 442 I CA 0.028 61.115 61.300 -0.355 0.000 1.365 442 I CB 1.024 38.550 38.000 -0.791 0.000 1.407 442 I HN 0.030 nan 8.210 nan 0.000 0.509 443 E N 6.944 127.226 120.200 0.137 0.000 2.279 443 E HA 0.175 4.528 4.350 0.005 0.000 0.252 443 E C -0.207 176.487 176.600 0.155 0.000 0.894 443 E CA -0.112 56.373 56.400 0.142 0.000 0.785 443 E CB 1.857 31.648 29.700 0.152 0.000 1.237 443 E HN 0.599 nan 8.360 nan 0.000 0.418 444 E N 2.311 122.570 120.200 0.098 0.000 2.562 444 E HA 0.087 4.440 4.350 0.005 0.000 0.214 444 E C -0.402 176.242 176.600 0.074 0.000 0.979 444 E CA -0.143 56.319 56.400 0.103 0.000 1.002 444 E CB 0.473 30.223 29.700 0.083 0.000 1.048 444 E HN 0.372 nan 8.360 nan 0.000 0.488 445 N N 0.596 119.320 118.700 0.040 0.000 2.416 445 N HA 0.149 4.892 4.740 0.005 0.000 0.246 445 N C -0.653 174.873 175.510 0.027 0.000 1.260 445 N CA 0.317 53.375 53.050 0.014 0.000 0.897 445 N CB 1.005 39.463 38.487 -0.048 0.000 1.110 445 N HN 0.074 nan 8.380 nan 0.000 0.439 446 A N 2.000 124.840 122.820 0.033 0.000 2.249 446 A HA 0.396 4.719 4.320 0.005 0.000 0.314 446 A C -0.552 177.046 177.584 0.023 0.000 1.290 446 A CA -0.639 51.420 52.037 0.036 0.000 0.893 446 A CB 0.049 19.085 19.000 0.060 0.000 1.165 446 A HN 0.482 nan 8.150 nan 0.000 0.530 447 I N 3.907 124.484 120.570 0.012 0.000 2.371 447 I HA 0.148 4.321 4.170 0.005 0.000 0.290 447 I C 0.838 176.967 176.117 0.020 0.000 1.028 447 I CA 0.077 61.382 61.300 0.007 0.000 1.345 447 I CB 0.957 38.953 38.000 -0.007 0.000 1.407 447 I HN 0.695 nan 8.210 nan 0.000 0.501 448 L N 3.431 124.673 121.223 0.031 0.000 2.470 448 L HA 0.206 4.549 4.340 0.005 0.000 0.219 448 L C 0.817 177.713 176.870 0.044 0.000 1.071 448 L CA 0.509 55.373 54.840 0.039 0.000 0.850 448 L CB 0.290 42.375 42.059 0.044 0.000 1.040 448 L HN 0.661 nan 8.230 nan 0.000 0.475 449 S N -0.386 115.342 115.700 0.046 0.000 2.552 449 S HA 0.707 5.180 4.470 0.005 0.000 0.272 449 S C -1.677 172.950 174.600 0.045 0.000 1.150 449 S CA -0.498 57.734 58.200 0.053 0.000 0.849 449 S CB 1.414 64.653 63.200 0.065 0.000 1.113 449 S HN 0.031 nan 8.310 nan 0.000 0.458 450 L N 2.664 123.910 121.223 0.038 0.000 2.505 450 L HA 0.634 4.977 4.340 0.005 0.000 0.266 450 L C -0.816 176.065 176.870 0.019 0.000 0.954 450 L CA -0.673 54.169 54.840 0.003 0.000 0.852 450 L CB 2.282 44.321 42.059 -0.032 0.000 1.282 450 L HN 0.645 nan 8.230 nan 0.000 0.403 451 R N 1.620 122.128 120.500 0.013 0.000 2.476 451 R HA 0.496 4.839 4.340 0.005 0.000 0.305 451 R C -1.036 175.253 176.300 -0.018 0.000 0.965 451 R CA -0.153 55.962 56.100 0.025 0.000 0.867 451 R CB 2.034 32.372 30.300 0.063 0.000 1.176 451 R HN 0.511 nan 8.270 nan 0.000 0.447 452 S N 6.759 122.449 115.700 -0.016 0.000 2.404 452 S HA 0.489 4.962 4.470 0.005 0.000 0.309 452 S C -2.235 172.381 174.600 0.027 0.000 1.076 452 S CA -1.663 56.530 58.200 -0.011 0.000 1.095 452 S CB 0.665 63.914 63.200 0.082 0.000 0.972 452 S HN 0.539 nan 8.310 nan 0.000 0.484 453 P HA 0.269 nan 4.420 nan 0.000 0.274 453 P C -0.007 177.304 177.300 0.020 0.000 1.237 453 P CA -0.436 62.677 63.100 0.022 0.000 0.793 453 P CB 0.738 32.461 31.700 0.039 0.000 0.977 454 K N -0.133 120.245 120.400 -0.036 0.000 2.288 454 K HA 0.039 4.363 4.320 0.005 0.000 0.201 454 K C 0.898 177.565 176.600 0.111 0.000 1.048 454 K CA 0.889 57.145 56.287 -0.052 0.000 0.956 454 K CB -0.011 32.294 32.500 -0.324 0.000 0.746 454 K HN 0.602 nan 8.250 nan 0.000 0.461 455 S N -1.723 114.026 115.700 0.082 0.000 2.618 455 S HA 0.763 5.237 4.470 0.005 0.000 0.277 455 S C 0.296 174.941 174.600 0.075 0.000 1.138 455 S CA -0.529 57.732 58.200 0.103 0.000 0.844 455 S CB 2.174 65.434 63.200 0.099 0.000 1.127 455 S HN 0.310 nan 8.310 nan 0.000 0.474 456 G N 1.051 109.895 108.800 0.072 0.000 2.662 456 G HA2 0.302 4.266 3.960 0.005 0.000 0.236 456 G HA3 0.302 4.266 3.960 0.005 0.000 0.236 456 G C 0.283 175.218 174.900 0.059 0.000 1.212 456 G CA 0.073 45.208 45.100 0.058 0.000 0.968 456 G HN 2.015 nan 8.290 nan 0.000 0.576 457 A N 0.402 123.256 122.820 0.056 0.000 2.425 457 A HA 0.777 5.100 4.320 0.005 0.000 0.242 457 A C 1.892 179.509 177.584 0.054 0.000 1.077 457 A CA 1.252 53.323 52.037 0.056 0.000 0.781 457 A CB 0.464 19.505 19.000 0.067 0.000 1.020 457 A HN 2.423 nan 8.150 nan 0.000 0.494 458 A N 0.707 123.554 122.820 0.046 0.000 1.902 458 A HA 0.263 4.586 4.320 0.005 0.000 0.217 458 A C 0.671 178.228 177.584 -0.045 0.000 1.181 458 A CA 2.001 54.062 52.037 0.040 0.000 0.623 458 A CB -0.375 18.642 19.000 0.028 0.000 0.818 458 A HN 1.466 nan 8.150 nan 0.000 0.443 459 L N -2.042 119.129 121.223 -0.086 0.000 2.545 459 L HA 0.588 4.931 4.340 0.005 0.000 0.258 459 L C -1.812 175.080 176.870 0.037 0.000 0.942 459 L CA -0.329 54.379 54.840 -0.220 0.000 0.855 459 L CB 1.845 43.510 42.059 -0.656 0.000 1.374 459 L HN 0.175 nan 8.230 nan 0.000 0.411 460 L N 3.084 124.342 121.223 0.059 0.000 2.362 460 L HA 0.814 5.158 4.340 0.005 0.000 0.275 460 L C -0.320 176.660 176.870 0.185 0.000 0.998 460 L CA -0.452 54.526 54.840 0.229 0.000 0.820 460 L CB 2.077 44.298 42.059 0.270 0.000 1.270 460 L HN 0.698 nan 8.230 nan 0.000 0.415 461 S N 0.862 116.715 115.700 0.255 0.000 2.568 461 S HA 0.912 5.385 4.470 0.005 0.000 0.302 461 S C -0.268 174.458 174.600 0.209 0.000 1.082 461 S CA -0.668 57.631 58.200 0.164 0.000 1.009 461 S CB 2.050 65.347 63.200 0.161 0.000 1.069 461 S HN 0.747 nan 8.310 nan 0.000 0.500 462 G N 1.201 110.080 108.800 0.133 0.000 2.626 462 G HA2 0.682 4.646 3.960 0.005 0.000 0.304 462 G HA3 0.682 4.646 3.960 0.005 0.000 0.304 462 G C -1.095 173.850 174.900 0.075 0.000 1.385 462 G CA -0.789 44.392 45.100 0.134 0.000 0.957 462 G HN 0.768 nan 8.290 nan 0.000 0.504 463 I N 1.249 121.859 120.570 0.066 0.000 2.730 463 I HA 0.496 4.669 4.170 0.005 0.000 0.298 463 I C 0.823 176.967 176.117 0.046 0.000 1.089 463 I CA -1.149 60.164 61.300 0.023 0.000 1.041 463 I CB 2.523 40.494 38.000 -0.048 0.000 1.235 463 I HN 0.564 nan 8.210 nan 0.000 0.423 464 G N 2.029 110.856 108.800 0.044 0.000 2.441 464 G HA2 0.230 4.193 3.960 0.005 0.000 0.243 464 G HA3 0.230 4.193 3.960 0.005 0.000 0.243 464 G C 0.236 175.187 174.900 0.086 0.000 1.281 464 G CA 0.266 45.407 45.100 0.070 0.000 0.854 464 G HN 1.030 nan 8.290 nan 0.000 0.560 465 N N -1.148 117.633 118.700 0.134 0.000 2.319 465 N HA -0.303 4.440 4.740 0.005 0.000 0.215 465 N C 1.339 177.043 175.510 0.323 0.000 1.091 465 N CA 1.853 55.028 53.050 0.208 0.000 2.762 465 N CB -0.942 37.654 38.487 0.183 0.000 0.823 465 N HN 0.779 nan 8.380 nan 0.000 0.453 466 I N -3.071 117.602 120.570 0.171 0.000 3.856 466 I HA 0.499 4.673 4.170 0.005 0.000 0.330 466 I C 0.978 177.101 176.117 0.009 0.000 1.546 466 I CA 0.198 61.545 61.300 0.078 0.000 1.132 466 I CB 1.065 38.875 38.000 -0.316 0.000 1.157 466 I HN 0.311 nan 8.210 nan 0.000 0.440 467 S N 1.226 117.007 115.700 0.134 0.000 4.155 467 S HA -0.164 4.310 4.470 0.005 0.000 0.552 467 S C 0.587 175.256 174.600 0.116 0.000 1.869 467 S CA 1.541 59.852 58.200 0.184 0.000 4.246 467 S CB -1.595 61.723 63.200 0.197 0.000 0.245 467 S HN 1.434 nan 8.310 nan 0.000 0.461 468 G N -0.039 108.788 108.800 0.046 0.000 2.495 468 G HA2 0.600 4.563 3.960 0.005 0.000 0.294 468 G HA3 0.600 4.563 3.960 0.005 0.000 0.294 468 G C -1.662 172.783 174.900 -0.758 0.000 1.397 468 G CA -0.153 44.886 45.100 -0.102 0.000 0.790 468 G HN 0.768 nan 8.290 nan 0.000 0.486 469 M N -0.273 118.771 119.600 -0.926 0.000 2.667 469 M HA 0.564 5.047 4.480 0.005 0.000 0.286 469 M C -0.416 175.275 176.300 -1.014 0.000 1.270 469 M CA -0.685 53.837 55.300 -1.296 0.000 0.826 469 M CB 2.690 34.684 32.600 -1.009 0.000 1.743 469 M HN 0.427 nan 8.290 nan 0.000 0.460 470 K N 0.992 120.984 120.400 -0.680 0.000 2.292 470 K HA 0.282 4.605 4.320 0.005 0.000 0.270 470 K C -1.177 175.270 176.600 -0.255 0.000 1.062 470 K CA -0.338 55.862 56.287 -0.145 0.000 0.916 470 K CB 0.472 33.044 32.500 0.121 0.000 1.166 470 K HN 0.652 nan 8.250 nan 0.000 0.458 471 H N 4.570 123.600 119.070 -0.067 0.000 2.908 471 H HA 0.040 4.599 4.556 0.005 0.000 0.269 471 H C -0.245 175.059 175.328 -0.041 0.000 1.303 471 H CA -0.234 55.771 56.048 -0.072 0.000 1.341 471 H CB 0.901 30.596 29.762 -0.112 0.000 1.519 471 H HN 0.720 nan 8.280 nan 0.000 0.505 472 D N 0.926 121.353 120.400 0.046 0.000 2.249 472 D HA -0.087 4.556 4.640 0.005 0.000 0.205 472 D C 0.294 176.622 176.300 0.046 0.000 0.962 472 D CA 1.224 55.249 54.000 0.042 0.000 0.860 472 D CB 0.632 41.447 40.800 0.025 0.000 0.955 472 D HN 0.459 nan 8.370 nan 0.000 0.505 473 D N 0.243 120.676 120.400 0.055 0.000 2.471 473 D HA 0.148 4.791 4.640 0.005 0.000 0.245 473 D C 1.072 177.423 176.300 0.084 0.000 1.116 473 D CA -0.400 53.635 54.000 0.059 0.000 0.853 473 D CB 1.383 42.214 40.800 0.052 0.000 1.123 473 D HN -0.103 nan 8.370 nan 0.000 0.540 474 L N 2.479 123.730 121.223 0.048 0.000 2.456 474 L HA -0.047 4.296 4.340 0.005 0.000 0.224 474 L C 2.121 179.076 176.870 0.141 0.000 1.148 474 L CA 1.211 56.066 54.840 0.024 0.000 0.825 474 L CB -0.330 41.602 42.059 -0.210 0.000 0.937 474 L HN 0.471 nan 8.230 nan 0.000 0.450 475 T N -4.618 110.021 114.554 0.143 0.000 3.044 475 T HA 0.121 4.474 4.350 0.005 0.000 0.250 475 T C 0.728 175.515 174.700 0.145 0.000 1.081 475 T CA -0.132 62.066 62.100 0.164 0.000 1.040 475 T CB 0.314 69.267 68.868 0.141 0.000 0.962 475 T HN -0.080 nan 8.240 nan 0.000 0.506 476 K N 2.049 122.521 120.400 0.120 0.000 2.427 476 K HA 0.527 4.850 4.320 0.005 0.000 0.252 476 K C -3.239 173.417 176.600 0.093 0.000 0.931 476 K CA -2.648 53.689 56.287 0.083 0.000 0.793 476 K CB 1.905 34.426 32.500 0.035 0.000 1.211 476 K HN -0.021 nan 8.250 nan 0.000 0.426 477 P HA 0.056 nan 4.420 nan 0.000 0.267 477 P C -0.384 176.959 177.300 0.071 0.000 1.200 477 P CA 0.025 63.203 63.100 0.131 0.000 0.772 477 P CB 0.625 32.391 31.700 0.111 0.000 0.855 478 Q N 1.335 121.192 119.800 0.095 0.000 2.306 478 Q HA 0.392 4.735 4.340 0.005 0.000 0.269 478 Q C -0.142 175.863 176.000 0.009 0.000 1.053 478 Q CA -0.867 54.917 55.803 -0.032 0.000 0.879 478 Q CB 1.371 29.968 28.738 -0.236 0.000 1.344 478 Q HN 0.331 nan 8.270 nan 0.000 0.464 479 K N 0.654 121.013 120.400 -0.068 0.000 2.237 479 K HA 0.256 4.579 4.320 0.005 0.000 0.270 479 K C 0.257 176.781 176.600 -0.126 0.000 1.015 479 K CA -0.200 56.059 56.287 -0.046 0.000 0.949 479 K CB 0.737 33.214 32.500 -0.038 0.000 0.976 479 K HN 0.483 nan 8.250 nan 0.000 0.472 480 M N 3.024 122.594 119.600 -0.050 0.000 2.239 480 M HA 0.077 4.560 4.480 0.005 0.000 0.348 480 M C -0.765 175.487 176.300 -0.081 0.000 1.239 480 M CA -0.238 54.989 55.300 -0.121 0.000 1.114 480 M CB 0.289 32.881 32.600 -0.014 0.000 1.641 480 M HN 0.291 nan 8.290 nan 0.000 0.453 481 F N 3.161 123.082 119.950 -0.048 0.000 2.642 481 F HA 0.150 4.680 4.527 0.005 0.000 0.371 481 F C 1.360 177.083 175.800 -0.129 0.000 1.120 481 F CA 0.718 58.673 58.000 -0.073 0.000 1.331 481 F CB -0.440 38.381 39.000 -0.299 0.000 1.044 481 F HN 0.676 nan 8.300 nan 0.000 0.594 482 G N 1.121 110.012 108.800 0.151 0.000 2.485 482 G HA2 0.475 4.438 3.960 0.005 0.000 0.260 482 G HA3 0.475 4.438 3.960 0.005 0.000 0.260 482 G C -0.491 174.323 174.900 -0.144 0.000 1.459 482 G CA -0.341 44.787 45.100 0.047 0.000 1.060 482 G HN 0.913 nan 8.290 nan 0.000 0.546 483 A N 0.704 123.462 122.820 -0.104 0.000 2.531 483 A HA 0.463 4.786 4.320 0.005 0.000 0.236 483 A C -1.750 175.566 177.584 -0.447 0.000 1.062 483 A CA -0.523 51.381 52.037 -0.221 0.000 0.760 483 A CB -0.261 18.646 19.000 -0.155 0.000 0.995 483 A HN 0.464 nan 8.150 nan 0.000 0.501 484 P HA 0.141 nan 4.420 nan 0.000 0.276 484 P C -0.669 176.387 177.300 -0.408 0.000 1.230 484 P CA -0.269 62.555 63.100 -0.460 0.000 0.776 484 P CB 0.575 32.073 31.700 -0.337 0.000 0.888 485 Q N 2.352 122.183 119.800 0.053 0.000 2.244 485 Q HA 0.163 4.506 4.340 0.005 0.000 0.278 485 Q C -1.233 174.940 176.000 0.290 0.000 1.093 485 Q CA 0.751 56.645 55.803 0.151 0.000 0.916 485 Q CB -0.526 28.411 28.738 0.332 0.000 1.159 485 Q HN 0.195 nan 8.270 nan 0.000 0.384 486 F N 1.091 121.111 119.950 0.117 0.000 2.458 486 F HA 0.302 4.833 4.527 0.005 0.000 0.330 486 F C 1.424 177.272 175.800 0.079 0.000 1.082 486 F CA -1.033 57.014 58.000 0.079 0.000 0.995 486 F CB 1.555 40.566 39.000 0.020 0.000 1.170 486 F HN 0.724 nan 8.300 nan 0.000 0.478 487 S N 1.039 116.876 115.700 0.228 0.000 2.341 487 S HA 0.066 4.539 4.470 0.005 0.000 0.216 487 S C 0.345 175.061 174.600 0.193 0.000 1.034 487 S CA 0.396 58.663 58.200 0.111 0.000 0.964 487 S CB -0.215 63.017 63.200 0.053 0.000 0.882 487 S HN 0.538 nan 8.310 nan 0.000 0.469 488 N N 1.148 119.926 118.700 0.128 0.000 2.399 488 N HA 0.499 5.242 4.740 0.005 0.000 0.295 488 N C -1.556 173.975 175.510 0.035 0.000 1.048 488 N CA -0.400 52.700 53.050 0.083 0.000 0.886 488 N CB 1.734 40.245 38.487 0.040 0.000 1.185 488 N HN 0.334 nan 8.380 nan 0.000 0.487 489 L N 2.175 123.458 121.223 0.100 0.000 2.262 489 L HA 0.339 4.682 4.340 0.005 0.000 0.288 489 L C 0.286 177.172 176.870 0.026 0.000 1.035 489 L CA -0.313 54.583 54.840 0.094 0.000 0.820 489 L CB 0.637 42.870 42.059 0.289 0.000 1.204 489 L HN 0.469 nan 8.230 nan 0.000 0.424 490 D N 1.675 122.044 120.400 -0.052 0.000 2.216 490 D HA 0.020 4.663 4.640 0.005 0.000 0.208 490 D C 0.205 176.521 176.300 0.027 0.000 0.960 490 D CA 0.712 54.710 54.000 -0.002 0.000 0.861 490 D CB 0.698 41.497 40.800 -0.001 0.000 0.985 490 D HN 0.390 nan 8.370 nan 0.000 0.493 491 S N -0.386 115.320 115.700 0.011 0.000 2.572 491 S HA 0.588 5.061 4.470 0.005 0.000 0.274 491 S C -1.448 173.162 174.600 0.016 0.000 1.150 491 S CA -0.721 57.494 58.200 0.024 0.000 0.944 491 S CB 1.151 64.362 63.200 0.019 0.000 1.071 491 S HN 0.105 nan 8.310 nan 0.000 0.479 492 I N 3.378 123.980 120.570 0.052 0.000 2.619 492 I HA 0.650 4.823 4.170 0.005 0.000 0.292 492 I C -1.808 174.361 176.117 0.087 0.000 1.100 492 I CA -0.272 61.069 61.300 0.068 0.000 1.043 492 I CB 1.926 39.988 38.000 0.103 0.000 1.239 492 I HN 0.646 nan 8.210 nan 0.000 0.420 493 D N 5.286 125.746 120.400 0.100 0.000 2.645 493 D HA 0.810 5.453 4.640 0.005 0.000 0.228 493 D C -1.556 174.810 176.300 0.111 0.000 1.148 493 D CA -0.298 53.767 54.000 0.107 0.000 0.860 493 D CB 2.521 43.396 40.800 0.125 0.000 1.548 493 D HN 0.695 nan 8.370 nan 0.000 0.460 494 A N 1.080 123.953 122.820 0.089 0.000 2.371 494 A HA 0.780 5.103 4.320 0.005 0.000 0.311 494 A C -0.384 177.236 177.584 0.061 0.000 1.068 494 A CA -0.367 51.716 52.037 0.077 0.000 0.744 494 A CB 1.335 20.370 19.000 0.058 0.000 1.239 494 A HN 0.674 nan 8.150 nan 0.000 0.435 495 A N 1.095 123.962 122.820 0.078 0.000 2.498 495 A HA 0.469 4.792 4.320 0.005 0.000 0.239 495 A C 1.449 179.040 177.584 0.013 0.000 1.068 495 A CA 0.376 52.454 52.037 0.068 0.000 0.766 495 A CB -0.080 19.000 19.000 0.133 0.000 1.003 495 A HN 1.786 nan 8.150 nan 0.000 0.497 496 G N 0.887 109.667 108.800 -0.034 0.000 2.402 496 G HA2 -0.178 3.785 3.960 0.005 0.000 0.216 496 G HA3 -0.178 3.785 3.960 0.005 0.000 0.216 496 G C 1.027 175.833 174.900 -0.158 0.000 1.162 496 G CA 0.936 45.971 45.100 -0.108 0.000 0.777 496 G HN 0.727 nan 8.290 nan 0.000 0.539 497 N N -0.249 118.343 118.700 -0.179 0.000 2.405 497 N HA 0.102 4.845 4.740 0.005 0.000 0.175 497 N C -0.445 174.559 175.510 -0.843 0.000 1.051 497 N CA 0.276 53.051 53.050 -0.459 0.000 0.899 497 N CB 0.315 38.508 38.487 -0.490 0.000 1.000 497 N HN 0.258 nan 8.380 nan 0.000 0.451 498 F N 0.203 120.161 119.950 0.014 0.000 2.622 498 F HA 0.393 4.923 4.527 0.005 0.000 0.338 498 F C -1.843 173.967 175.800 0.016 0.000 1.334 498 F CA -1.998 56.015 58.000 0.021 0.000 1.179 498 F CB 1.889 40.904 39.000 0.025 0.000 1.471 498 F HN -0.182 nan 8.300 nan 0.000 0.576 499 P HA -0.151 nan 4.420 nan 0.000 0.226 499 P C 1.282 178.623 177.300 0.068 0.000 1.146 499 P CA 1.112 64.247 63.100 0.058 0.000 0.773 499 P CB 0.087 31.803 31.700 0.026 0.000 0.772 500 N N -0.449 118.306 118.700 0.090 0.000 2.381 500 N HA -0.063 4.680 4.740 0.005 0.000 0.182 500 N C 0.211 175.735 175.510 0.024 0.000 1.025 500 N CA 0.644 53.721 53.050 0.045 0.000 0.888 500 N CB -0.872 37.648 38.487 0.054 0.000 0.965 500 N HN 0.018 nan 8.380 nan 0.000 0.438 501 V N 2.144 122.111 119.914 0.089 0.000 2.427 501 V HA 0.195 4.318 4.120 0.005 0.000 0.268 501 V C 0.093 176.239 176.094 0.088 0.000 1.046 501 V CA -0.389 61.972 62.300 0.102 0.000 0.970 501 V CB 1.069 32.990 31.823 0.162 0.000 1.001 501 V HN -0.029 nan 8.190 nan 0.000 0.476 502 V N 5.835 125.782 119.914 0.055 0.000 2.709 502 V HA 0.629 4.752 4.120 0.005 0.000 0.308 502 V C -0.253 175.959 176.094 0.198 0.000 1.062 502 V CA -0.688 61.659 62.300 0.078 0.000 0.901 502 V CB 2.199 34.008 31.823 -0.024 0.000 1.003 502 V HN 0.729 nan 8.190 nan 0.000 0.425 503 V N 2.697 122.752 119.914 0.235 0.000 2.715 503 V HA 0.928 5.051 4.120 0.005 0.000 0.310 503 V C -0.567 175.617 176.094 0.150 0.000 1.054 503 V CA -0.876 61.582 62.300 0.262 0.000 0.928 503 V CB 1.890 33.880 31.823 0.279 0.000 1.007 503 V HN 1.090 nan 8.190 nan 0.000 0.437 504 R N 2.594 123.115 120.500 0.034 0.000 2.698 504 R HA 0.948 5.291 4.340 0.005 0.000 0.275 504 R C -1.105 175.128 176.300 -0.113 0.000 1.001 504 R CA -0.532 55.526 56.100 -0.072 0.000 0.896 504 R CB 2.246 32.412 30.300 -0.224 0.000 1.218 504 R HN 1.329 nan 8.270 nan 0.000 0.462 505 A N 1.049 123.783 122.820 -0.144 0.000 2.393 505 A HA 0.899 5.222 4.320 0.005 0.000 0.306 505 A C -0.654 176.696 177.584 -0.389 0.000 1.050 505 A CA -0.265 51.637 52.037 -0.225 0.000 0.724 505 A CB 1.974 20.823 19.000 -0.253 0.000 1.248 505 A HN 1.057 nan 8.150 nan 0.000 0.424 506 G N -0.177 108.062 108.800 -0.936 0.000 2.731 506 G HA2 0.652 4.615 3.960 0.005 0.000 0.309 506 G HA3 0.652 4.615 3.960 0.005 0.000 0.309 506 G C -0.688 173.717 174.900 -0.824 0.000 1.273 506 G CA 0.238 44.648 45.100 -1.151 0.000 0.798 506 G HN 1.636 nan 8.290 nan 0.000 0.509 507 S N -1.148 114.214 115.700 -0.563 0.000 2.454 507 S HA 0.764 5.237 4.470 0.005 0.000 0.306 507 S C -0.577 173.923 174.600 -0.167 0.000 1.100 507 S CA -0.481 57.566 58.200 -0.253 0.000 1.087 507 S CB 1.678 64.832 63.200 -0.077 0.000 1.019 507 S HN 1.130 nan 8.310 nan 0.000 0.480 508 S N 1.421 116.977 115.700 -0.239 0.000 2.575 508 S HA 0.644 5.117 4.470 0.005 0.000 0.278 508 S C 0.598 174.650 174.600 -0.913 0.000 1.139 508 S CA -0.355 57.531 58.200 -0.524 0.000 0.954 508 S CB 1.150 64.277 63.200 -0.121 0.000 1.054 508 S HN 1.080 nan 8.310 nan 0.000 0.483 509 G N 2.087 109.633 108.800 -2.091 0.000 3.284 509 G HA2 0.160 4.123 3.960 0.005 0.000 0.236 509 G HA3 0.160 4.123 3.960 0.005 0.000 0.236 509 G C 0.187 174.469 174.900 -1.030 0.000 1.158 509 G CA 0.027 44.151 45.100 -1.626 0.000 0.774 509 G HN 0.741 nan 8.290 nan 0.000 0.545 510 H N 0.625 119.091 119.070 -1.008 0.000 2.482 510 H HA 0.541 5.101 4.556 0.005 0.000 0.344 510 H C -0.577 174.530 175.328 -0.369 0.000 1.151 510 H CA -0.406 55.361 56.048 -0.467 0.000 1.300 510 H CB 1.114 30.661 29.762 -0.358 0.000 1.494 510 H HN -0.078 nan 8.280 nan 0.000 0.542 511 E N 3.497 123.131 120.200 -0.943 0.000 2.176 511 E HA 0.149 4.502 4.350 0.005 0.000 0.267 511 E C -1.016 175.176 176.600 -0.680 0.000 0.893 511 E CA -0.497 55.554 56.400 -0.580 0.000 0.761 511 E CB 1.236 30.723 29.700 -0.356 0.000 1.133 511 E HN 0.512 nan 8.360 nan 0.000 0.409 512 Y N 0.660 120.874 120.300 -0.143 0.000 2.376 512 Y HA 0.149 4.702 4.550 0.005 0.000 0.325 512 Y C 0.839 176.725 175.900 -0.023 0.000 1.199 512 Y CA -0.673 57.414 58.100 -0.021 0.000 1.206 512 Y CB 0.905 39.401 38.460 0.060 0.000 1.229 512 Y HN 0.255 nan 8.280 nan 0.000 0.480 513 D N 1.300 121.797 120.400 0.161 0.000 2.450 513 D HA -0.017 4.626 4.640 0.005 0.000 0.247 513 D C 0.189 176.545 176.300 0.095 0.000 1.162 513 D CA 0.529 54.584 54.000 0.091 0.000 0.879 513 D CB 0.725 41.571 40.800 0.077 0.000 1.163 513 D HN 0.706 nan 8.370 nan 0.000 0.472 514 S N -0.368 115.372 115.700 0.065 0.000 3.581 514 S HA -0.072 4.401 4.470 0.005 0.000 0.354 514 S C -0.007 174.647 174.600 0.089 0.000 1.059 514 S CA 0.841 59.079 58.200 0.063 0.000 1.060 514 S CB -1.101 62.131 63.200 0.053 0.000 0.908 514 S HN 0.892 nan 8.310 nan 0.000 0.475 515 A N -0.834 122.051 122.820 0.109 0.000 2.608 515 A HA 0.692 5.015 4.320 0.005 0.000 0.292 515 A C -0.546 177.134 177.584 0.159 0.000 1.066 515 A CA -0.094 52.029 52.037 0.142 0.000 0.676 515 A CB 1.137 20.212 19.000 0.125 0.000 1.277 515 A HN 1.138 nan 8.150 nan 0.000 0.413 516 c N 2.046 120.760 118.600 0.189 0.000 2.271 516 c HA 0.656 5.229 4.570 0.005 0.000 0.323 516 c C 1.590 175.818 174.090 0.229 0.000 1.245 516 c CA 0.235 56.670 56.329 0.177 0.000 1.548 516 c CB -0.357 42.245 42.510 0.153 0.000 2.214 516 c HN 1.622 nan 8.230 nan 0.000 0.477 517 A N 4.840 127.810 122.820 0.250 0.000 2.131 517 A HA -0.116 4.207 4.320 0.005 0.000 0.220 517 A C 2.038 179.822 177.584 0.334 0.000 1.158 517 A CA 1.329 53.566 52.037 0.332 0.000 0.665 517 A CB -0.287 18.928 19.000 0.360 0.000 0.795 517 A HN 0.866 nan 8.150 nan 0.000 0.460 518 R N -0.711 119.935 120.500 0.243 0.000 2.280 518 R HA 0.190 4.533 4.340 0.005 0.000 0.207 518 R C 0.906 177.432 176.300 0.377 0.000 1.043 518 R CA 0.704 56.927 56.100 0.205 0.000 1.006 518 R CB -0.160 30.170 30.300 0.049 0.000 0.885 518 R HN 0.500 nan 8.270 nan 0.000 0.467 519 G N -2.307 106.798 108.800 0.510 0.000 2.677 519 G HA2 0.737 4.700 3.960 0.005 0.000 0.291 519 G HA3 0.737 4.700 3.960 0.005 0.000 0.291 519 G C -1.721 173.188 174.900 0.014 0.000 1.435 519 G CA -0.011 45.322 45.100 0.389 0.000 0.826 519 G HN 0.179 nan 8.290 nan 0.000 0.491 520 A N -0.571 121.989 122.820 -0.434 0.000 2.599 520 A HA 0.925 5.249 4.320 0.005 0.000 0.290 520 A C -1.600 175.731 177.584 -0.423 0.000 1.101 520 A CA -0.673 50.955 52.037 -0.681 0.000 0.674 520 A CB 1.284 20.036 19.000 -0.413 0.000 1.277 520 A HN 2.165 nan 8.150 nan 0.000 0.419 521 Y N -1.899 118.246 120.300 -0.258 0.000 2.581 521 Y HA 0.904 5.457 4.550 0.005 0.000 0.345 521 Y C -0.386 175.461 175.900 -0.089 0.000 1.036 521 Y CA -0.903 57.199 58.100 0.003 0.000 1.042 521 Y CB 1.435 39.920 38.460 0.042 0.000 1.289 521 Y HN 1.447 nan 8.280 nan 0.000 0.471 522 A N 0.794 123.466 122.820 -0.246 0.000 2.475 522 A HA 0.637 4.960 4.320 0.005 0.000 0.301 522 A C -0.046 177.405 177.584 -0.221 0.000 1.059 522 A CA -0.320 51.355 52.037 -0.602 0.000 0.710 522 A CB 1.298 19.421 19.000 -1.461 0.000 1.288 522 A HN 1.221 nan 8.150 nan 0.000 0.408 523 T N -2.325 112.116 114.554 -0.188 0.000 3.145 523 T HA 0.223 4.576 4.350 0.005 0.000 0.281 523 T C -0.133 174.504 174.700 -0.104 0.000 1.003 523 T CA 0.575 62.626 62.100 -0.081 0.000 0.901 523 T CB -0.215 68.633 68.868 -0.033 0.000 1.112 523 T HN 0.604 nan 8.240 nan 0.000 0.535 524 D N 0.258 120.551 120.400 -0.177 0.000 2.462 524 D HA 0.361 5.004 4.640 0.005 0.000 0.221 524 D C 1.560 177.785 176.300 -0.124 0.000 1.173 524 D CA 0.002 53.922 54.000 -0.134 0.000 0.831 524 D CB -0.241 40.468 40.800 -0.151 0.000 1.001 524 D HN 0.420 nan 8.370 nan 0.000 0.499 525 G N -0.435 108.284 108.800 -0.134 0.000 2.195 525 G HA2 -0.061 3.902 3.960 0.005 0.000 0.246 525 G HA3 -0.061 3.902 3.960 0.005 0.000 0.246 525 G C 1.008 175.834 174.900 -0.123 0.000 0.984 525 G CA -0.008 45.041 45.100 -0.086 0.000 0.633 525 G HN 1.432 nan 8.290 nan 0.000 0.525 526 G N -1.073 107.535 108.800 -0.320 0.000 2.188 526 G HA2 0.047 4.010 3.960 0.005 0.000 0.112 526 G HA3 0.047 4.010 3.960 0.005 0.000 0.112 526 G C 0.183 174.934 174.900 -0.249 0.000 1.048 526 G CA 0.931 45.743 45.100 -0.481 0.000 0.720 526 G HN 0.427 nan 8.290 nan 0.000 0.487 527 D N 0.162 120.360 120.400 -0.338 0.000 2.652 527 D HA 0.332 4.976 4.640 0.005 0.000 0.261 527 D C 1.618 177.780 176.300 -0.231 0.000 1.024 527 D CA 1.109 55.045 54.000 -0.107 0.000 0.958 527 D CB 0.302 41.072 40.800 -0.050 0.000 1.113 527 D HN 0.633 nan 8.370 nan 0.000 0.471 528 A N 0.848 123.439 122.820 -0.382 0.000 2.260 528 A HA 0.438 4.761 4.320 0.005 0.000 0.308 528 A C -1.202 176.067 177.584 -0.524 0.000 1.254 528 A CA -0.366 51.489 52.037 -0.304 0.000 0.874 528 A CB 0.080 18.960 19.000 -0.199 0.000 1.153 528 A HN 0.091 nan 8.150 nan 0.000 0.527 529 W N 1.202 122.355 121.300 -0.245 0.000 2.551 529 W HA 0.518 5.181 4.660 0.005 0.000 0.330 529 W C -0.003 176.250 176.519 -0.444 0.000 1.063 529 W CA -0.181 56.943 57.345 -0.369 0.000 1.222 529 W CB 2.014 31.247 29.460 -0.378 0.000 1.349 529 W HN 0.540 nan 8.180 nan 0.000 0.536 530 T N 4.384 118.661 114.554 -0.463 0.000 2.749 530 T HA 0.435 4.788 4.350 0.005 0.000 0.287 530 T C 0.024 174.433 174.700 -0.486 0.000 0.970 530 T CA -0.590 61.169 62.100 -0.568 0.000 0.980 530 T CB 0.321 68.622 68.868 -0.945 0.000 0.924 530 T HN 0.107 nan 8.240 nan 0.000 0.456 531 I N 3.642 124.036 120.570 -0.293 0.000 2.533 531 I HA 0.145 4.318 4.170 0.005 0.000 0.284 531 I C 0.213 176.341 176.117 0.019 0.000 1.109 531 I CA -0.497 60.678 61.300 -0.209 0.000 1.412 531 I CB 0.147 37.997 38.000 -0.251 0.000 1.396 531 I HN 0.482 nan 8.210 nan 0.000 0.543 532 F N 8.593 128.664 119.950 0.202 0.000 2.612 532 F HA 0.055 4.585 4.527 0.005 0.000 0.389 532 F C -1.198 174.749 175.800 0.246 0.000 1.055 532 F CA -1.444 56.761 58.000 0.342 0.000 1.232 532 F CB -0.285 39.010 39.000 0.492 0.000 1.044 532 F HN 0.392 nan 8.300 nan 0.000 0.560 533 P HA -0.092 nan 4.420 nan 0.000 0.216 533 P C 0.072 177.514 177.300 0.236 0.000 1.150 533 P CA 1.719 64.973 63.100 0.256 0.000 0.837 533 P CB 0.097 31.916 31.700 0.200 0.000 0.786 534 T N -4.874 109.864 114.554 0.307 0.000 2.901 534 T HA 0.621 4.974 4.350 0.005 0.000 0.293 534 T C -0.746 174.171 174.700 0.362 0.000 1.084 534 T CA -0.826 61.423 62.100 0.248 0.000 1.008 534 T CB 1.118 70.096 68.868 0.182 0.000 1.170 534 T HN -0.131 nan 8.240 nan 0.000 0.509 535 c N 1.404 120.018 118.600 0.024 0.000 2.719 535 c HA 0.767 5.340 4.570 0.005 0.000 0.327 535 c C -2.380 171.193 174.090 -0.861 0.000 1.238 535 c CA -1.472 54.565 56.329 -0.487 0.000 1.727 535 c CB 1.064 43.295 42.510 -0.464 0.000 2.256 535 c HN 0.745 nan 8.230 nan 0.000 0.489 536 P HA 0.111 nan 4.420 nan 0.000 0.267 536 P C -2.535 174.062 177.300 -1.171 0.000 1.201 536 P CA -0.287 61.867 63.100 -1.577 0.000 0.775 536 P CB -0.383 30.086 31.700 -2.051 0.000 0.854 537 P HA -0.006 nan 4.420 nan 0.000 0.264 537 P C 1.060 178.049 177.300 -0.518 0.000 1.183 537 P CA 1.617 64.346 63.100 -0.619 0.000 0.763 537 P CB -0.006 31.427 31.700 -0.444 0.000 0.807 538 G N 2.641 111.216 108.800 -0.375 0.000 2.268 538 G HA2 -0.247 3.716 3.960 0.005 0.000 0.240 538 G HA3 -0.247 3.716 3.960 0.005 0.000 0.240 538 G C 0.439 175.088 174.900 -0.420 0.000 1.010 538 G CA -0.283 44.632 45.100 -0.309 0.000 0.618 538 G HN 0.458 nan 8.290 nan 0.000 0.516 539 M N 2.754 121.977 119.600 -0.628 0.000 3.742 539 M HA 0.260 4.743 4.480 0.005 0.000 0.197 539 M C 0.742 176.809 176.300 -0.387 0.000 1.417 539 M CA -0.248 54.636 55.300 -0.694 0.000 1.653 539 M CB -1.596 30.413 32.600 -0.984 0.000 1.079 539 M HN 0.641 nan 8.290 nan 0.000 0.558 540 N N -0.147 118.398 118.700 -0.257 0.000 2.725 540 N HA 0.567 5.310 4.740 0.005 0.000 0.312 540 N C 0.906 176.338 175.510 -0.131 0.000 1.295 540 N CA -0.464 52.483 53.050 -0.171 0.000 0.914 540 N CB 0.174 38.575 38.487 -0.144 0.000 1.177 540 N HN 0.086 nan 8.380 nan 0.000 0.601 541 A N -0.990 121.744 122.820 -0.143 0.000 2.172 541 A HA -0.054 4.270 4.320 0.005 0.000 0.216 541 A C 1.380 178.895 177.584 -0.114 0.000 1.154 541 A CA 1.505 53.432 52.037 -0.183 0.000 0.701 541 A CB -1.092 17.773 19.000 -0.225 0.000 0.789 541 A HN 0.730 nan 8.150 nan 0.000 0.465 542 S N -2.028 113.644 115.700 -0.047 0.000 2.559 542 S HA 0.155 4.628 4.470 0.005 0.000 0.226 542 S C 0.368 175.019 174.600 0.085 0.000 1.000 542 S CA -0.286 57.925 58.200 0.019 0.000 0.948 542 S CB -0.613 62.597 63.200 0.016 0.000 0.870 542 S HN 0.606 nan 8.310 nan 0.000 0.497 543 H N 1.617 120.638 119.070 -0.081 0.000 3.046 543 H HA 0.197 4.756 4.556 0.005 0.000 0.303 543 H C 0.415 175.693 175.328 -0.083 0.000 1.002 543 H CA 0.456 56.408 56.048 -0.160 0.000 1.460 543 H CB 0.188 29.818 29.762 -0.220 0.000 1.493 543 H HN 0.538 nan 8.280 nan 0.000 0.559 544 Y N 1.310 121.377 120.300 -0.388 0.000 2.563 544 Y HA 0.254 4.807 4.550 0.005 0.000 0.250 544 Y C 1.160 176.878 175.900 -0.303 0.000 1.126 544 Y CA -0.486 57.472 58.100 -0.236 0.000 1.231 544 Y CB -0.029 38.340 38.460 -0.150 0.000 1.288 544 Y HN 0.453 nan 8.280 nan 0.000 0.537 545 Q N 2.088 121.226 119.800 -1.104 0.000 2.515 545 Q HA 0.317 4.660 4.340 0.005 0.000 0.212 545 Q C 1.249 177.105 176.000 -0.240 0.000 0.970 545 Q CA 0.868 56.246 55.803 -0.708 0.000 0.941 545 Q CB 0.008 28.254 28.738 -0.819 0.000 0.998 545 Q HN 0.707 nan 8.270 nan 0.000 0.518 546 G N 0.089 108.835 108.800 -0.091 0.000 2.796 546 G HA2 -0.116 3.847 3.960 0.005 0.000 0.226 546 G HA3 -0.116 3.847 3.960 0.005 0.000 0.226 546 G C -0.279 174.744 174.900 0.205 0.000 1.381 546 G CA -0.290 44.856 45.100 0.077 0.000 0.867 546 G HN 0.733 nan 8.290 nan 0.000 0.552 547 S N -2.760 113.040 115.700 0.167 0.000 2.636 547 S HA 0.850 5.323 4.470 0.005 0.000 0.268 547 S C -0.788 173.931 174.600 0.199 0.000 1.159 547 S CA 0.233 58.566 58.200 0.223 0.000 0.815 547 S CB 2.017 65.447 63.200 0.383 0.000 1.130 547 S HN 1.730 nan 8.310 nan 0.000 0.471 548 T N 1.388 116.089 114.554 0.246 0.000 2.840 548 T HA 0.629 4.983 4.350 0.005 0.000 0.287 548 T C -0.785 174.040 174.700 0.208 0.000 0.991 548 T CA -0.330 61.880 62.100 0.184 0.000 0.964 548 T CB 0.900 69.861 68.868 0.155 0.000 0.954 548 T HN 0.691 nan 8.240 nan 0.000 0.438 549 I N 2.458 123.050 120.570 0.037 0.000 2.562 549 I HA 0.822 4.995 4.170 0.005 0.000 0.301 549 I C -0.852 175.327 176.117 0.104 0.000 1.003 549 I CA -0.760 60.498 61.300 -0.070 0.000 1.127 549 I CB 1.227 38.947 38.000 -0.466 0.000 1.304 549 I HN 0.791 nan 8.210 nan 0.000 0.446 550 A N 6.016 128.961 122.820 0.209 0.000 2.520 550 A HA 0.677 5.000 4.320 0.005 0.000 0.298 550 A C -1.844 175.994 177.584 0.422 0.000 1.051 550 A CA -0.486 51.750 52.037 0.332 0.000 0.690 550 A CB 1.875 21.169 19.000 0.489 0.000 1.281 550 A HN 0.521 nan 8.150 nan 0.000 0.402 551 V N 2.996 123.101 119.914 0.319 0.000 2.555 551 V HA 0.531 4.654 4.120 0.005 0.000 0.302 551 V C -0.468 175.705 176.094 0.131 0.000 1.038 551 V CA -0.516 61.947 62.300 0.273 0.000 0.887 551 V CB 1.581 33.513 31.823 0.182 0.000 0.991 551 V HN 1.103 nan 8.190 nan 0.000 0.434 552 D N 5.259 125.711 120.400 0.087 0.000 2.363 552 D HA 0.140 4.783 4.640 0.005 0.000 0.240 552 D C 1.116 177.365 176.300 -0.085 0.000 1.236 552 D CA 0.285 54.160 54.000 -0.210 0.000 0.927 552 D CB 1.853 42.551 40.800 -0.171 0.000 1.150 552 D HN 0.661 nan 8.370 nan 0.000 0.458 553 A N 1.182 123.935 122.820 -0.112 0.000 1.986 553 A HA -0.225 4.098 4.320 0.005 0.000 0.220 553 A C 2.180 179.811 177.584 0.078 0.000 1.171 553 A CA 2.566 54.583 52.037 -0.033 0.000 0.640 553 A CB -0.897 18.078 19.000 -0.043 0.000 0.811 553 A HN 0.701 nan 8.150 nan 0.000 0.451 554 S N -1.833 113.929 115.700 0.104 0.000 2.562 554 S HA 0.354 4.827 4.470 0.005 0.000 0.221 554 S C 1.409 176.141 174.600 0.220 0.000 0.975 554 S CA 1.092 59.433 58.200 0.235 0.000 0.918 554 S CB -0.490 62.773 63.200 0.104 0.000 0.772 554 S HN 1.999 nan 8.310 nan 0.000 0.531 555 G N 1.110 110.002 108.800 0.153 0.000 2.179 555 G HA2 -0.303 3.660 3.960 0.005 0.000 0.257 555 G HA3 -0.303 3.660 3.960 0.005 0.000 0.257 555 G C 0.675 175.593 174.900 0.029 0.000 1.010 555 G CA 0.730 45.902 45.100 0.121 0.000 0.736 555 G HN 1.409 nan 8.290 nan 0.000 0.513 556 S N -2.186 113.456 115.700 -0.097 0.000 2.589 556 S HA 0.408 4.881 4.470 0.005 0.000 0.235 556 S C 0.458 174.765 174.600 -0.487 0.000 1.051 556 S CA 0.331 58.343 58.200 -0.314 0.000 0.978 556 S CB 0.579 63.682 63.200 -0.161 0.000 0.929 556 S HN 0.542 nan 8.310 nan 0.000 0.523 557 Q N 0.759 120.403 119.800 -0.260 0.000 2.337 557 Q HA 0.674 5.017 4.340 0.005 0.000 0.270 557 Q C -1.545 174.525 176.000 0.117 0.000 1.043 557 Q CA -0.345 55.356 55.803 -0.170 0.000 0.794 557 Q CB 2.510 31.087 28.738 -0.269 0.000 1.281 557 Q HN 0.379 nan 8.270 nan 0.000 0.446 558 I N 2.006 122.639 120.570 0.104 0.000 2.465 558 I HA 0.498 4.671 4.170 0.005 0.000 0.291 558 I C -0.746 175.521 176.117 0.251 0.000 1.014 558 I CA -1.112 60.316 61.300 0.214 0.000 1.093 558 I CB 1.950 40.072 38.000 0.203 0.000 1.267 558 I HN 0.255 nan 8.210 nan 0.000 0.431 559 V N 5.112 125.126 119.914 0.165 0.000 2.555 559 V HA 0.460 4.583 4.120 0.005 0.000 0.302 559 V C -1.335 174.956 176.094 0.328 0.000 1.038 559 V CA -0.481 61.889 62.300 0.116 0.000 0.887 559 V CB 2.261 33.805 31.823 -0.466 0.000 0.991 559 V HN 0.655 nan 8.190 nan 0.000 0.434 560 W N 3.977 125.349 121.300 0.119 0.000 2.884 560 W HA 0.564 5.227 4.660 0.005 0.000 0.336 560 W C -0.422 176.102 176.519 0.008 0.000 1.038 560 W CA -1.024 56.303 57.345 -0.030 0.000 1.247 560 W CB 1.862 31.092 29.460 -0.382 0.000 1.351 560 W HN 0.520 nan 8.180 nan 0.000 0.446 561 S N 2.801 118.698 115.700 0.329 0.000 2.442 561 S HA 0.325 4.798 4.470 0.005 0.000 0.297 561 S C 1.198 175.819 174.600 0.035 0.000 1.131 561 S CA 0.316 58.591 58.200 0.125 0.000 1.092 561 S CB 1.111 64.356 63.200 0.076 0.000 0.998 561 S HN 0.508 nan 8.310 nan 0.000 0.478 562 T N 1.863 116.355 114.554 -0.103 0.000 3.088 562 T HA 0.185 4.538 4.350 0.005 0.000 0.259 562 T C 0.700 175.405 174.700 0.008 0.000 1.122 562 T CA 0.295 62.267 62.100 -0.214 0.000 1.095 562 T CB -0.636 68.054 68.868 -0.297 0.000 0.930 562 T HN 0.890 nan 8.240 nan 0.000 0.508 563 K N -0.042 120.365 120.400 0.012 0.000 3.341 563 K HA -0.110 4.213 4.320 0.005 0.000 0.305 563 K C -0.578 176.008 176.600 -0.023 0.000 1.270 563 K CA 0.459 56.749 56.287 0.005 0.000 0.897 563 K CB -2.126 30.386 32.500 0.020 0.000 1.264 563 K HN 0.488 nan 8.250 nan 0.000 0.468 564 L N 2.070 123.283 121.223 -0.016 0.000 2.261 564 L HA 0.101 4.444 4.340 0.005 0.000 0.289 564 L C 1.455 178.299 176.870 -0.043 0.000 1.059 564 L CA -0.267 54.551 54.840 -0.037 0.000 0.816 564 L CB 0.652 42.700 42.059 -0.019 0.000 1.191 564 L HN 0.199 nan 8.230 nan 0.000 0.431 565 D N 1.284 121.655 120.400 -0.049 0.000 2.363 565 D HA -0.127 4.516 4.640 0.005 0.000 0.226 565 D C 0.585 176.860 176.300 -0.042 0.000 1.020 565 D CA 0.371 54.343 54.000 -0.045 0.000 0.892 565 D CB 0.347 41.124 40.800 -0.037 0.000 0.900 565 D HN 0.581 nan 8.370 nan 0.000 0.531 566 E N 0.175 120.352 120.200 -0.038 0.000 2.452 566 E HA 0.059 4.412 4.350 0.005 0.000 0.197 566 E C 0.241 176.824 176.600 -0.029 0.000 1.022 566 E CA 0.034 56.416 56.400 -0.031 0.000 0.890 566 E CB 0.100 29.784 29.700 -0.026 0.000 0.918 566 E HN 0.319 nan 8.360 nan 0.000 0.496 567 Q N 0.883 120.666 119.800 -0.029 0.000 2.323 567 Q HA 0.412 4.755 4.340 0.005 0.000 0.257 567 Q C -0.228 175.721 176.000 -0.085 0.000 1.022 567 Q CA -0.272 55.515 55.803 -0.027 0.000 0.919 567 Q CB 1.281 30.036 28.738 0.028 0.000 1.220 567 Q HN 0.174 nan 8.270 nan 0.000 0.427 568 A N 2.700 125.468 122.820 -0.087 0.000 3.019 568 A HA 0.229 4.552 4.320 0.005 0.000 0.262 568 A C -0.085 177.401 177.584 -0.165 0.000 1.509 568 A CA -0.174 51.798 52.037 -0.108 0.000 1.159 568 A CB -0.300 18.654 19.000 -0.076 0.000 1.042 568 A HN 0.587 nan 8.150 nan 0.000 0.641 569 S N -1.458 114.099 115.700 -0.239 0.000 2.564 569 S HA 0.754 5.227 4.470 0.005 0.000 0.274 569 S C 0.304 174.660 174.600 -0.407 0.000 1.124 569 S CA -0.239 57.749 58.200 -0.353 0.000 0.869 569 S CB 1.061 63.941 63.200 -0.534 0.000 1.105 569 S HN 0.831 nan 8.310 nan 0.000 0.472 570 G N 0.746 109.301 108.800 -0.408 0.000 2.684 570 G HA2 0.497 4.460 3.960 0.005 0.000 0.255 570 G HA3 0.497 4.460 3.960 0.005 0.000 0.255 570 G C -2.907 171.713 174.900 -0.467 0.000 1.219 570 G CA -1.485 43.349 45.100 -0.444 0.000 0.901 570 G HN 0.552 nan 8.290 nan 0.000 0.548 571 P HA -0.020 nan 4.420 nan 0.000 0.262 571 P C -0.476 176.779 177.300 -0.075 0.000 1.182 571 P CA 0.257 63.250 63.100 -0.177 0.000 0.761 571 P CB 0.318 31.962 31.700 -0.093 0.000 0.795 572 W N 3.946 125.251 121.300 0.010 0.000 2.158 572 W HA 0.262 4.925 4.660 0.005 0.000 0.339 572 W C 0.495 177.192 176.519 0.297 0.000 1.294 572 W CA 0.394 57.790 57.345 0.085 0.000 1.231 572 W CB -0.336 29.124 29.460 -0.001 0.000 1.143 572 W HN 0.393 nan 8.180 nan 0.000 0.571 573 Y N -0.147 120.398 120.300 0.408 0.000 2.524 573 Y HA 0.789 5.342 4.550 0.005 0.000 0.344 573 Y C -0.577 175.314 175.900 -0.016 0.000 1.012 573 Y CA -2.055 56.160 58.100 0.191 0.000 1.068 573 Y CB 1.874 40.307 38.460 -0.045 0.000 1.249 573 Y HN 0.279 nan 8.280 nan 0.000 0.468 574 S N 0.956 116.601 115.700 -0.092 0.000 2.614 574 S HA 0.378 4.851 4.470 0.005 0.000 0.275 574 S C -1.172 173.390 174.600 -0.064 0.000 1.161 574 S CA -0.583 57.313 58.200 -0.507 0.000 0.969 574 S CB 0.381 62.615 63.200 -1.611 0.000 1.059 574 S HN 0.972 nan 8.310 nan 0.000 0.482 575 H N 2.308 121.249 119.070 -0.215 0.000 2.592 575 H HA 0.187 4.746 4.556 0.005 0.000 0.279 575 H C -0.397 174.807 175.328 -0.206 0.000 1.089 575 H CA -0.060 55.878 56.048 -0.183 0.000 1.150 575 H CB 0.598 30.328 29.762 -0.054 0.000 1.575 575 H HN 0.651 nan 8.280 nan 0.000 0.547 576 D N -1.066 119.258 120.400 -0.127 0.000 2.740 576 D HA -0.037 4.606 4.640 0.005 0.000 0.301 576 D C -0.455 175.853 176.300 0.013 0.000 1.408 576 D CA -0.860 53.121 54.000 -0.032 0.000 0.808 576 D CB -1.021 39.757 40.800 -0.037 0.000 1.128 576 D HN 0.104 nan 8.370 nan 0.000 0.465 577 Y N 0.939 121.115 120.300 -0.207 0.000 3.305 577 Y HA -0.103 4.450 4.550 0.005 0.000 0.212 577 Y C 1.723 177.627 175.900 0.007 0.000 1.248 577 Y CA 1.022 58.994 58.100 -0.214 0.000 1.359 577 Y CB -1.601 36.617 38.460 -0.403 0.000 1.407 577 Y HN 0.547 nan 8.280 nan 0.000 0.572 578 G N -1.178 107.446 108.800 -0.293 0.000 2.157 578 G HA2 -0.360 3.603 3.960 0.005 0.000 0.248 578 G HA3 -0.360 3.603 3.960 0.005 0.000 0.248 578 G C 1.102 175.949 174.900 -0.088 0.000 0.979 578 G CA 0.385 45.278 45.100 -0.346 0.000 0.650 578 G HN 0.504 nan 8.290 nan 0.000 0.529 579 K N 0.056 120.401 120.400 -0.091 0.000 2.148 579 K HA 0.110 4.433 4.320 0.005 0.000 0.204 579 K C 1.437 177.959 176.600 -0.129 0.000 1.050 579 K CA 1.574 57.839 56.287 -0.037 0.000 0.942 579 K CB -0.043 32.454 32.500 -0.005 0.000 0.724 579 K HN 0.719 nan 8.250 nan 0.000 0.446 580 T N -2.948 111.410 114.554 -0.326 0.000 2.896 580 T HA 0.508 4.861 4.350 0.005 0.000 0.297 580 T C -1.635 172.674 174.700 -0.653 0.000 1.108 580 T CA -0.999 60.910 62.100 -0.319 0.000 1.004 580 T CB 1.223 69.968 68.868 -0.205 0.000 1.159 580 T HN 0.135 nan 8.240 nan 0.000 0.499 581 W N 0.801 121.974 121.300 -0.212 0.000 2.739 581 W HA 0.679 5.342 4.660 0.005 0.000 0.331 581 W C -0.348 176.097 176.519 -0.123 0.000 1.049 581 W CA -0.478 56.734 57.345 -0.223 0.000 1.234 581 W CB 2.565 31.819 29.460 -0.343 0.000 1.404 581 W HN 0.829 nan 8.180 nan 0.000 0.477 582 S N 0.897 116.535 115.700 -0.104 0.000 2.599 582 S HA 0.599 5.072 4.470 0.005 0.000 0.294 582 S C -0.742 173.726 174.600 -0.221 0.000 1.094 582 S CA -0.914 57.148 58.200 -0.230 0.000 0.931 582 S CB 1.680 64.463 63.200 -0.695 0.000 1.093 582 S HN 0.165 nan 8.310 nan 0.000 0.488 583 V N 4.259 124.059 119.914 -0.190 0.000 2.555 583 V HA 0.263 4.387 4.120 0.005 0.000 0.286 583 V C -1.809 174.285 176.094 -0.000 0.000 1.044 583 V CA -1.270 60.833 62.300 -0.329 0.000 1.026 583 V CB 0.228 31.863 31.823 -0.313 0.000 0.981 583 V HN 0.689 nan 8.190 nan 0.000 0.480 584 P HA 0.392 nan 4.420 nan 0.000 0.276 584 P C -0.570 176.762 177.300 0.053 0.000 1.244 584 P CA -0.325 62.876 63.100 0.169 0.000 0.801 584 P CB 1.157 33.015 31.700 0.263 0.000 1.006 585 A N 0.786 123.631 122.820 0.042 0.000 2.257 585 A HA 0.763 5.086 4.320 0.005 0.000 0.289 585 A C 0.692 178.304 177.584 0.048 0.000 1.095 585 A CA 0.294 52.342 52.037 0.019 0.000 0.836 585 A CB -0.335 18.664 19.000 -0.001 0.000 1.111 585 A HN 0.911 nan 8.150 nan 0.000 0.497 586 G N -0.234 108.590 108.800 0.039 0.000 2.512 586 G HA2 -0.123 3.840 3.960 0.005 0.000 0.210 586 G HA3 -0.123 3.840 3.960 0.005 0.000 0.210 586 G C 0.020 174.968 174.900 0.080 0.000 1.295 586 G CA 0.334 45.478 45.100 0.075 0.000 0.934 586 G HN 0.613 nan 8.290 nan 0.000 0.554 587 D N -0.320 120.174 120.400 0.156 0.000 2.224 587 D HA 0.037 4.680 4.640 0.005 0.000 0.205 587 D C 1.416 177.748 176.300 0.053 0.000 0.965 587 D CA 0.990 55.111 54.000 0.201 0.000 0.852 587 D CB 0.054 41.088 40.800 0.390 0.000 0.947 587 D HN 0.353 nan 8.370 nan 0.000 0.494 588 L N 0.975 122.068 121.223 -0.215 0.000 2.278 588 L HA 0.203 4.546 4.340 0.005 0.000 0.287 588 L C 0.115 176.716 176.870 -0.448 0.000 1.072 588 L CA 0.089 54.484 54.840 -0.742 0.000 0.819 588 L CB 0.828 42.152 42.059 -1.225 0.000 1.176 588 L HN -0.347 nan 8.230 nan 0.000 0.435 589 K N 4.303 124.481 120.400 -0.371 0.000 2.676 589 K HA 0.635 4.958 4.320 0.005 0.000 0.205 589 K C -0.706 175.742 176.600 -0.254 0.000 1.084 589 K CA 0.205 56.333 56.287 -0.265 0.000 1.057 589 K CB 1.061 33.463 32.500 -0.164 0.000 0.791 589 K HN 0.627 nan 8.250 nan 0.000 0.484 590 A N 0.214 122.851 122.820 -0.304 0.000 2.498 590 A HA 0.434 4.758 4.320 0.005 0.000 0.298 590 A C -0.898 176.538 177.584 -0.246 0.000 1.075 590 A CA -0.754 51.144 52.037 -0.232 0.000 0.714 590 A CB 1.020 19.916 19.000 -0.172 0.000 1.299 590 A HN 0.048 nan 8.150 nan 0.000 0.407 591 Q N 1.700 121.396 119.800 -0.173 0.000 3.159 591 Q HA 0.076 4.419 4.340 0.005 0.000 0.280 591 Q C 0.371 176.315 176.000 -0.093 0.000 1.403 591 Q CA 0.238 55.963 55.803 -0.130 0.000 0.957 591 Q CB -0.332 28.362 28.738 -0.072 0.000 1.729 591 Q HN 0.725 nan 8.270 nan 0.000 0.551 592 T N -0.658 113.821 114.554 -0.124 0.000 2.930 592 T HA 0.229 4.582 4.350 0.005 0.000 0.306 592 T C 1.324 176.013 174.700 -0.018 0.000 1.045 592 T CA 0.356 62.412 62.100 -0.072 0.000 1.134 592 T CB 0.828 69.641 68.868 -0.093 0.000 0.961 592 T HN 0.514 nan 8.240 nan 0.000 0.545 593 A N 4.674 127.503 122.820 0.015 0.000 2.015 593 A HA 0.017 4.340 4.320 0.005 0.000 0.219 593 A C 1.321 178.949 177.584 0.073 0.000 1.163 593 A CA 0.827 52.894 52.037 0.050 0.000 0.646 593 A CB -0.222 18.809 19.000 0.052 0.000 0.806 593 A HN 0.827 nan 8.150 nan 0.000 0.448 594 N N 0.246 118.985 118.700 0.065 0.000 3.322 594 N HA 0.311 5.054 4.740 0.005 0.000 0.290 594 N C -1.105 174.470 175.510 0.108 0.000 1.297 594 N CA 0.207 53.317 53.050 0.100 0.000 1.167 594 N CB 1.035 39.586 38.487 0.106 0.000 1.434 594 N HN 0.149 nan 8.380 nan 0.000 0.526 595 V N 1.979 121.972 119.914 0.131 0.000 2.735 595 V HA 0.721 4.844 4.120 0.005 0.000 0.310 595 V C -0.810 175.442 176.094 0.262 0.000 1.061 595 V CA -0.791 61.618 62.300 0.181 0.000 0.913 595 V CB 2.147 34.042 31.823 0.121 0.000 1.005 595 V HN 0.376 nan 8.190 nan 0.000 0.428 596 L N 3.713 125.147 121.223 0.351 0.000 2.491 596 L HA 0.916 5.259 4.340 0.005 0.000 0.254 596 L C -0.601 176.490 176.870 0.369 0.000 1.048 596 L CA -0.598 54.456 54.840 0.357 0.000 0.855 596 L CB 2.181 44.424 42.059 0.305 0.000 1.466 596 L HN 0.665 nan 8.230 nan 0.000 0.409 597 S N -0.839 114.972 115.700 0.186 0.000 2.578 597 S HA 0.347 4.820 4.470 0.005 0.000 0.283 597 S C -0.383 174.188 174.600 -0.048 0.000 1.195 597 S CA -0.745 57.325 58.200 -0.217 0.000 1.050 597 S CB 1.524 64.482 63.200 -0.403 0.000 1.012 597 S HN 0.802 nan 8.310 nan 0.000 0.511 598 D N 0.082 120.390 120.400 -0.154 0.000 2.400 598 D HA 0.104 4.747 4.640 0.005 0.000 0.238 598 D C 0.131 176.416 176.300 -0.025 0.000 1.157 598 D CA 0.102 54.146 54.000 0.074 0.000 0.889 598 D CB 0.735 41.587 40.800 0.086 0.000 1.199 598 D HN 0.580 nan 8.370 nan 0.000 0.436 599 K N 1.252 121.657 120.400 0.008 0.000 2.373 599 K HA 0.191 4.514 4.320 0.005 0.000 0.202 599 K C 0.646 177.201 176.600 -0.074 0.000 1.025 599 K CA -0.021 56.231 56.287 -0.060 0.000 1.115 599 K CB 0.607 33.050 32.500 -0.095 0.000 0.858 599 K HN 0.213 nan 8.250 nan 0.000 0.525 600 V N -1.062 118.843 119.914 -0.016 0.000 3.177 600 V HA 0.145 4.268 4.120 0.005 0.000 0.220 600 V C 0.138 176.259 176.094 0.045 0.000 1.395 600 V CA -0.242 62.065 62.300 0.012 0.000 1.317 600 V CB 0.546 32.400 31.823 0.052 0.000 1.148 600 V HN 0.130 nan 8.190 nan 0.000 0.499 601 Q N 1.467 121.324 119.800 0.095 0.000 2.267 601 Q HA 0.184 4.527 4.340 0.005 0.000 0.255 601 Q C -0.917 175.094 176.000 0.019 0.000 0.923 601 Q CA -0.449 55.423 55.803 0.116 0.000 0.925 601 Q CB 0.941 29.855 28.738 0.294 0.000 1.195 601 Q HN 0.390 nan 8.270 nan 0.000 0.417 602 D N 2.590 122.992 120.400 0.002 0.000 2.423 602 D HA 0.145 4.788 4.640 0.005 0.000 0.238 602 D C 0.781 177.033 176.300 -0.081 0.000 1.142 602 D CA 1.449 55.427 54.000 -0.037 0.000 0.884 602 D CB 0.639 41.432 40.800 -0.011 0.000 1.199 602 D HN 0.892 nan 8.370 nan 0.000 0.438 603 G N 1.439 110.170 108.800 -0.114 0.000 2.258 603 G HA2 -0.267 3.697 3.960 0.005 0.000 0.274 603 G HA3 -0.267 3.697 3.960 0.005 0.000 0.274 603 G C 0.228 175.076 174.900 -0.086 0.000 1.021 603 G CA 0.687 45.744 45.100 -0.072 0.000 0.798 603 G HN 0.530 nan 8.290 nan 0.000 0.507 604 T N -0.153 114.227 114.554 -0.290 0.000 2.807 604 T HA 0.693 5.046 4.350 0.005 0.000 0.279 604 T C -0.666 173.639 174.700 -0.659 0.000 0.993 604 T CA -0.230 61.683 62.100 -0.312 0.000 0.970 604 T CB 1.338 70.102 68.868 -0.174 0.000 0.950 604 T HN 0.233 nan 8.240 nan 0.000 0.441 605 F N 1.561 121.290 119.950 -0.368 0.000 2.599 605 F HA 0.660 5.190 4.527 0.005 0.000 0.311 605 F C -0.903 174.675 175.800 -0.370 0.000 1.076 605 F CA -1.100 56.735 58.000 -0.274 0.000 0.937 605 F CB 1.722 40.735 39.000 0.022 0.000 1.282 605 F HN 0.453 nan 8.300 nan 0.000 0.460 606 Y N 0.679 121.211 120.300 0.386 0.000 2.536 606 Y HA 0.843 5.396 4.550 0.005 0.000 0.347 606 Y C -0.223 175.739 175.900 0.103 0.000 1.000 606 Y CA -1.499 56.714 58.100 0.188 0.000 1.051 606 Y CB 2.023 40.630 38.460 0.245 0.000 1.259 606 Y HN 0.723 nan 8.280 nan 0.000 0.468 607 A N 0.635 123.465 122.820 0.017 0.000 2.594 607 A HA 0.797 5.120 4.320 0.005 0.000 0.295 607 A C -0.951 176.610 177.584 -0.038 0.000 1.071 607 A CA -0.693 51.347 52.037 0.005 0.000 0.685 607 A CB 1.270 20.218 19.000 -0.087 0.000 1.285 607 A HN 0.767 nan 8.150 nan 0.000 0.405 608 T N -1.221 113.383 114.554 0.084 0.000 2.863 608 T HA 0.746 5.099 4.350 0.005 0.000 0.285 608 T C -1.314 173.482 174.700 0.160 0.000 1.009 608 T CA -0.452 61.747 62.100 0.166 0.000 0.989 608 T CB 1.755 70.721 68.868 0.164 0.000 1.004 608 T HN 0.686 nan 8.240 nan 0.000 0.455 609 D N 0.484 121.035 120.400 0.251 0.000 2.871 609 D HA 0.497 5.140 4.640 0.005 0.000 0.209 609 D C 0.747 177.163 176.300 0.195 0.000 1.292 609 D CA 0.720 54.817 54.000 0.161 0.000 0.869 609 D CB 0.940 41.755 40.800 0.026 0.000 1.663 609 D HN 1.129 nan 8.370 nan 0.000 0.557 610 G N 2.167 111.028 108.800 0.100 0.000 2.249 610 G HA2 0.095 4.058 3.960 0.005 0.000 0.273 610 G HA3 0.095 4.058 3.960 0.005 0.000 0.273 610 G C 1.125 176.062 174.900 0.061 0.000 1.036 610 G CA 1.045 46.191 45.100 0.076 0.000 0.824 610 G HN 1.733 nan 8.290 nan 0.000 0.504 611 G N -1.770 107.060 108.800 0.049 0.000 2.199 611 G HA2 -0.243 3.720 3.960 0.005 0.000 0.254 611 G HA3 -0.243 3.720 3.960 0.005 0.000 0.254 611 G C 0.397 175.281 174.900 -0.028 0.000 0.982 611 G CA 1.198 46.299 45.100 0.003 0.000 0.632 611 G HN 1.034 nan 8.290 nan 0.000 0.529 612 K N -0.747 119.655 120.400 0.002 0.000 2.185 612 K HA 0.731 5.054 4.320 0.005 0.000 0.240 612 K C -1.174 175.358 176.600 -0.115 0.000 0.983 612 K CA -0.928 55.284 56.287 -0.126 0.000 0.873 612 K CB 1.659 33.992 32.500 -0.279 0.000 1.118 612 K HN 0.081 nan 8.250 nan 0.000 0.441 613 F N 1.702 121.405 119.950 -0.412 0.000 2.507 613 F HA 0.462 4.992 4.527 0.005 0.000 0.325 613 F C -1.425 174.176 175.800 -0.333 0.000 1.116 613 F CA -0.772 57.108 58.000 -0.200 0.000 0.930 613 F CB 0.763 39.718 39.000 -0.076 0.000 1.146 613 F HN 0.310 nan 8.300 nan 0.000 0.447 614 F N 4.970 124.695 119.950 -0.376 0.000 2.532 614 F HA 0.701 5.231 4.527 0.005 0.000 0.321 614 F C -0.808 174.994 175.800 0.003 0.000 1.089 614 F CA -1.166 56.796 58.000 -0.063 0.000 0.926 614 F CB 1.935 40.912 39.000 -0.039 0.000 1.168 614 F HN 0.120 nan 8.300 nan 0.000 0.459 615 V N 1.267 121.436 119.914 0.425 0.000 2.604 615 V HA 0.621 4.744 4.120 0.005 0.000 0.305 615 V C -0.558 175.660 176.094 0.206 0.000 1.043 615 V CA -0.790 61.741 62.300 0.385 0.000 0.888 615 V CB 1.707 33.795 31.823 0.441 0.000 0.995 615 V HN 0.760 nan 8.190 nan 0.000 0.429 616 S N 2.027 117.725 115.700 -0.003 0.000 2.473 616 S HA 0.562 5.035 4.470 0.005 0.000 0.307 616 S C 0.555 175.081 174.600 -0.123 0.000 1.094 616 S CA 0.206 58.249 58.200 -0.262 0.000 1.070 616 S CB 1.552 64.294 63.200 -0.763 0.000 1.019 616 S HN 1.060 nan 8.310 nan 0.000 0.480 617 T N 0.163 114.651 114.554 -0.110 0.000 3.132 617 T HA 0.238 4.591 4.350 0.005 0.000 0.274 617 T C -0.018 174.628 174.700 -0.090 0.000 1.011 617 T CA -0.160 61.885 62.100 -0.092 0.000 0.899 617 T CB -0.191 68.616 68.868 -0.102 0.000 1.089 617 T HN 0.605 nan 8.240 nan 0.000 0.543 618 D N 0.533 120.867 120.400 -0.110 0.000 2.670 618 D HA 0.337 4.980 4.640 0.005 0.000 0.255 618 D C 1.335 177.600 176.300 -0.059 0.000 1.286 618 D CA -0.310 53.632 54.000 -0.097 0.000 0.830 618 D CB -0.295 40.429 40.800 -0.127 0.000 1.065 618 D HN 0.411 nan 8.370 nan 0.000 0.486 619 G N -0.320 108.491 108.800 0.018 0.000 2.147 619 G HA2 -0.025 3.938 3.960 0.005 0.000 0.244 619 G HA3 -0.025 3.938 3.960 0.005 0.000 0.244 619 G C 1.132 176.086 174.900 0.091 0.000 1.005 619 G CA 0.258 45.461 45.100 0.171 0.000 0.713 619 G HN 1.422 nan 8.290 nan 0.000 0.515 620 G N -1.006 107.671 108.800 -0.206 0.000 2.143 620 G HA2 -0.291 3.672 3.960 0.005 0.000 0.249 620 G HA3 -0.291 3.672 3.960 0.005 0.000 0.249 620 G C 1.046 175.566 174.900 -0.632 0.000 0.981 620 G CA 1.329 46.123 45.100 -0.511 0.000 0.665 620 G HN 0.934 nan 8.290 nan 0.000 0.528 621 K N 0.108 120.034 120.400 -0.790 0.000 2.148 621 K HA 0.182 4.505 4.320 0.005 0.000 0.204 621 K C 1.359 177.722 176.600 -0.394 0.000 1.050 621 K CA 1.351 57.080 56.287 -0.930 0.000 0.942 621 K CB -0.010 32.070 32.500 -0.700 0.000 0.724 621 K HN 0.833 nan 8.250 nan 0.000 0.446 622 S N -0.962 114.516 115.700 -0.370 0.000 2.537 622 S HA 0.442 4.915 4.470 0.005 0.000 0.270 622 S C -1.421 172.988 174.600 -0.318 0.000 1.142 622 S CA -1.106 56.975 58.200 -0.198 0.000 0.870 622 S CB 0.807 63.944 63.200 -0.105 0.000 1.112 622 S HN 0.045 nan 8.310 nan 0.000 0.466 623 Y N 0.608 120.903 120.300 -0.009 0.000 2.429 623 Y HA 0.775 5.328 4.550 0.005 0.000 0.342 623 Y C 0.367 176.351 175.900 0.140 0.000 1.004 623 Y CA -0.633 57.508 58.100 0.069 0.000 1.075 623 Y CB 2.260 40.746 38.460 0.043 0.000 1.214 623 Y HN 1.090 nan 8.280 nan 0.000 0.455 624 A N 1.692 124.710 122.820 0.330 0.000 2.318 624 A HA 0.786 5.109 4.320 0.005 0.000 0.317 624 A C -0.553 177.203 177.584 0.286 0.000 1.159 624 A CA -0.786 51.409 52.037 0.263 0.000 0.799 624 A CB 0.355 19.449 19.000 0.157 0.000 1.194 624 A HN 0.897 nan 8.150 nan 0.000 0.479 625 A N 3.282 126.223 122.820 0.201 0.000 2.515 625 A HA 0.460 4.783 4.320 0.005 0.000 0.263 625 A C 0.667 178.230 177.584 -0.036 0.000 1.096 625 A CA 0.353 52.287 52.037 -0.172 0.000 0.769 625 A CB -0.095 18.760 19.000 -0.242 0.000 1.040 625 A HN 0.824 nan 8.150 nan 0.000 0.505 626 K N 1.697 122.116 120.400 0.032 0.000 2.673 626 K HA 0.613 4.936 4.320 0.005 0.000 0.299 626 K C 0.882 177.581 176.600 0.164 0.000 0.969 626 K CA -0.162 56.214 56.287 0.147 0.000 1.151 626 K CB -0.082 32.575 32.500 0.262 0.000 3.456 626 K HN 1.528 nan 8.250 nan 0.000 1.144 627 G N 1.682 110.641 108.800 0.265 0.000 2.295 627 G HA2 -0.232 3.731 3.960 0.005 0.000 0.287 627 G HA3 -0.232 3.731 3.960 0.005 0.000 0.287 627 G C 0.178 175.165 174.900 0.145 0.000 1.055 627 G CA 0.390 45.648 45.100 0.263 0.000 0.922 627 G HN 0.680 nan 8.290 nan 0.000 0.503 628 A N -0.678 122.205 122.820 0.105 0.000 2.540 628 A HA 0.636 4.959 4.320 0.005 0.000 0.239 628 A C 2.052 179.688 177.584 0.087 0.000 1.061 628 A CA 1.854 53.927 52.037 0.061 0.000 0.758 628 A CB 0.087 19.111 19.000 0.040 0.000 0.991 628 A HN 2.501 nan 8.150 nan 0.000 0.502 629 G N 0.442 109.274 108.800 0.054 0.000 2.199 629 G HA2 -0.147 3.816 3.960 0.005 0.000 0.254 629 G HA3 -0.147 3.816 3.960 0.005 0.000 0.254 629 G C 0.145 175.078 174.900 0.056 0.000 0.982 629 G CA 0.415 45.569 45.100 0.090 0.000 0.632 629 G HN 1.754 nan 8.290 nan 0.000 0.529 630 L N 2.496 123.645 121.223 -0.124 0.000 2.281 630 L HA 0.687 5.030 4.340 0.005 0.000 0.285 630 L C 1.001 177.521 176.870 -0.583 0.000 1.074 630 L CA -0.543 53.934 54.840 -0.604 0.000 0.817 630 L CB 1.280 42.899 42.059 -0.733 0.000 1.168 630 L HN 0.854 nan 8.230 nan 0.000 0.434 631 V N 2.959 122.371 119.914 -0.837 0.000 2.740 631 V HA 0.335 4.459 4.120 0.005 0.000 0.303 631 V C 0.381 176.286 176.094 -0.314 0.000 1.054 631 V CA -0.193 61.890 62.300 -0.361 0.000 1.106 631 V CB 0.512 32.298 31.823 -0.062 0.000 0.957 631 V HN 0.889 nan 8.190 nan 0.000 0.486 632 T N 5.441 119.903 114.554 -0.155 0.000 2.761 632 T HA 0.695 5.048 4.350 0.005 0.000 0.296 632 T C 0.432 175.096 174.700 -0.061 0.000 0.934 632 T CA 0.566 62.602 62.100 -0.107 0.000 1.091 632 T CB 0.691 69.521 68.868 -0.063 0.000 0.896 632 T HN 1.434 nan 8.240 nan 0.000 0.515 633 G N 1.880 110.650 108.800 -0.051 0.000 2.650 633 G HA2 0.512 4.475 3.960 0.005 0.000 0.310 633 G HA3 0.512 4.475 3.960 0.005 0.000 0.310 633 G C -0.660 174.244 174.900 0.007 0.000 1.270 633 G CA -0.807 44.288 45.100 -0.009 0.000 0.810 633 G HN 0.537 nan 8.290 nan 0.000 0.493 634 T N 1.478 116.048 114.554 0.026 0.000 2.908 634 T HA 0.334 4.687 4.350 0.005 0.000 0.301 634 T C 0.571 175.297 174.700 0.044 0.000 1.019 634 T CA 0.476 62.599 62.100 0.038 0.000 1.152 634 T CB 0.667 69.564 68.868 0.049 0.000 0.966 634 T HN 0.418 nan 8.240 nan 0.000 0.540 635 S N 3.747 119.478 115.700 0.052 0.000 2.448 635 S HA 0.347 4.820 4.470 0.005 0.000 0.279 635 S C 0.232 174.882 174.600 0.084 0.000 1.195 635 S CA -0.620 57.621 58.200 0.069 0.000 1.051 635 S CB -0.096 63.150 63.200 0.077 0.000 0.948 635 S HN 0.402 nan 8.310 nan 0.000 0.493 636 L N 2.322 123.606 121.223 0.102 0.000 2.298 636 L HA 0.589 4.932 4.340 0.005 0.000 0.268 636 L C 0.088 177.046 176.870 0.148 0.000 1.010 636 L CA -1.243 53.668 54.840 0.119 0.000 0.812 636 L CB 0.911 43.046 42.059 0.127 0.000 1.331 636 L HN 0.486 nan 8.230 nan 0.000 0.450 637 M N 2.617 122.310 119.600 0.155 0.000 2.251 637 M HA 0.263 4.746 4.480 0.005 0.000 0.346 637 M C -2.359 174.077 176.300 0.227 0.000 1.499 637 M CA -1.254 54.155 55.300 0.180 0.000 1.128 637 M CB 0.306 33.002 32.600 0.161 0.000 1.809 637 M HN 0.069 nan 8.290 nan 0.000 0.464 638 P HA 0.384 nan 4.420 nan 0.000 0.272 638 P C -1.609 175.884 177.300 0.321 0.000 1.240 638 P CA -0.438 62.867 63.100 0.342 0.000 0.791 638 P CB 0.674 32.640 31.700 0.443 0.000 0.978 639 A N 0.916 123.952 122.820 0.360 0.000 2.374 639 A HA 0.659 4.982 4.320 0.005 0.000 0.317 639 A C -0.451 177.349 177.584 0.361 0.000 1.094 639 A CA -0.642 51.593 52.037 0.331 0.000 0.765 639 A CB 1.108 20.285 19.000 0.294 0.000 1.268 639 A HN 0.395 nan 8.150 nan 0.000 0.438 640 V N 0.399 120.484 119.914 0.286 0.000 2.630 640 V HA 0.518 4.642 4.120 0.005 0.000 0.305 640 V C 0.198 176.426 176.094 0.224 0.000 1.046 640 V CA -1.211 61.233 62.300 0.241 0.000 0.934 640 V CB 1.582 33.537 31.823 0.221 0.000 1.003 640 V HN 0.825 nan 8.190 nan 0.000 0.451 641 N N 5.239 124.070 118.700 0.219 0.000 2.434 641 N HA 0.171 4.914 4.740 0.005 0.000 0.268 641 N C -1.270 174.274 175.510 0.057 0.000 1.256 641 N CA -1.510 51.656 53.050 0.193 0.000 0.914 641 N CB 1.409 40.023 38.487 0.211 0.000 1.088 641 N HN 0.591 nan 8.380 nan 0.000 0.478 642 P HA -0.100 nan 4.420 nan 0.000 0.221 642 P C 0.335 177.307 177.300 -0.547 0.000 1.145 642 P CA 1.385 64.253 63.100 -0.388 0.000 0.795 642 P CB 0.002 31.338 31.700 -0.606 0.000 0.775 643 W N -0.807 120.543 121.300 0.082 0.000 3.008 643 W HA 0.256 4.919 4.660 0.005 0.000 0.355 643 W C -0.119 176.426 176.519 0.042 0.000 1.095 643 W CA -0.202 57.177 57.345 0.057 0.000 1.738 643 W CB 0.733 30.229 29.460 0.060 0.000 1.091 643 W HN -0.391 nan 8.180 nan 0.000 0.574 644 V N 1.084 121.113 119.914 0.191 0.000 2.569 644 V HA 0.600 4.723 4.120 0.005 0.000 0.301 644 V C 0.251 176.351 176.094 0.009 0.000 1.044 644 V CA -1.560 60.804 62.300 0.107 0.000 0.874 644 V CB 0.817 32.699 31.823 0.097 0.000 1.002 644 V HN -0.037 nan 8.190 nan 0.000 0.424 645 A N 3.158 125.973 122.820 -0.007 0.000 2.511 645 A HA 0.533 4.856 4.320 0.005 0.000 0.242 645 A C 1.515 178.759 177.584 -0.567 0.000 1.069 645 A CA 0.817 52.801 52.037 -0.088 0.000 0.763 645 A CB -0.261 18.829 19.000 0.150 0.000 1.001 645 A HN 2.413 nan 8.150 nan 0.000 0.498 646 G N 1.470 109.744 108.800 -0.876 0.000 2.155 646 G HA2 -0.221 3.742 3.960 0.005 0.000 0.257 646 G HA3 -0.221 3.742 3.960 0.005 0.000 0.257 646 G C 0.016 174.477 174.900 -0.732 0.000 0.983 646 G CA 0.561 44.762 45.100 -1.498 0.000 0.676 646 G HN 1.100 nan 8.290 nan 0.000 0.528 647 D N 0.621 120.785 120.400 -0.394 0.000 2.412 647 D HA 0.497 5.141 4.640 0.005 0.000 0.224 647 D C 0.041 176.265 176.300 -0.127 0.000 1.093 647 D CA -0.229 53.628 54.000 -0.238 0.000 0.850 647 D CB 1.092 41.864 40.800 -0.047 0.000 1.046 647 D HN 0.263 nan 8.370 nan 0.000 0.507 648 V N 3.301 123.064 119.914 -0.252 0.000 2.709 648 V HA 0.538 4.661 4.120 0.005 0.000 0.308 648 V C -0.709 175.388 176.094 0.004 0.000 1.062 648 V CA -1.012 61.225 62.300 -0.104 0.000 0.901 648 V CB 1.709 33.365 31.823 -0.279 0.000 1.003 648 V HN 0.387 nan 8.190 nan 0.000 0.425 649 W N 2.213 123.680 121.300 0.278 0.000 2.529 649 W HA 0.767 5.430 4.660 0.005 0.000 0.321 649 W C -0.683 176.009 176.519 0.287 0.000 1.047 649 W CA -0.758 56.776 57.345 0.315 0.000 1.216 649 W CB 1.926 31.507 29.460 0.202 0.000 1.357 649 W HN 0.338 nan 8.180 nan 0.000 0.489 650 V N 5.214 125.405 119.914 0.461 0.000 2.444 650 V HA 0.423 4.546 4.120 0.005 0.000 0.294 650 V C -2.107 174.172 176.094 0.308 0.000 1.022 650 V CA -2.262 60.194 62.300 0.261 0.000 0.850 650 V CB 1.807 33.577 31.823 -0.088 0.000 0.992 650 V HN 0.265 nan 8.190 nan 0.000 0.426 651 P HA 0.316 nan 4.420 nan 0.000 0.292 651 P C -0.848 176.568 177.300 0.192 0.000 1.326 651 P CA -0.269 62.980 63.100 0.248 0.000 0.787 651 P CB 1.537 33.357 31.700 0.201 0.000 0.903 652 V N 7.381 127.434 119.914 0.232 0.000 2.313 652 V HA 0.190 4.313 4.120 0.005 0.000 0.278 652 V C -1.441 174.744 176.094 0.151 0.000 1.017 652 V CA -1.757 60.631 62.300 0.147 0.000 0.823 652 V CB 1.383 33.246 31.823 0.067 0.000 1.010 652 V HN 0.340 nan 8.190 nan 0.000 0.443 653 P HA -0.124 nan 4.420 nan 0.000 0.217 653 P C 0.935 178.283 177.300 0.080 0.000 1.148 653 P CA 1.101 64.253 63.100 0.087 0.000 0.828 653 P CB 0.376 32.120 31.700 0.074 0.000 0.783 654 E N -1.821 118.427 120.200 0.080 0.000 2.489 654 E HA 0.173 4.526 4.350 0.005 0.000 0.193 654 E C 1.710 178.370 176.600 0.101 0.000 1.057 654 E CA 0.656 57.100 56.400 0.072 0.000 0.866 654 E CB -0.540 29.191 29.700 0.053 0.000 0.916 654 E HN 0.268 nan 8.360 nan 0.000 0.500 655 G N -0.849 108.049 108.800 0.163 0.000 2.535 655 G HA2 0.488 4.451 3.960 0.005 0.000 0.191 655 G HA3 0.488 4.451 3.960 0.005 0.000 0.191 655 G C 0.658 175.729 174.900 0.285 0.000 1.242 655 G CA 0.089 45.352 45.100 0.273 0.000 0.797 655 G HN 0.467 nan 8.290 nan 0.000 0.863 656 G N -0.616 108.326 108.800 0.237 0.000 2.362 656 G HA2 0.292 4.255 3.960 0.005 0.000 0.517 656 G HA3 0.292 4.255 3.960 0.005 0.000 0.517 656 G C -1.599 173.356 174.900 0.092 0.000 1.256 656 G CA -0.304 44.829 45.100 0.054 0.000 1.027 656 G HN 0.980 nan 8.290 nan 0.000 0.491 657 L N 0.309 121.507 121.223 -0.043 0.000 2.272 657 L HA 0.856 5.200 4.340 0.005 0.000 0.289 657 L C -0.885 176.002 176.870 0.027 0.000 1.032 657 L CA -0.865 54.062 54.840 0.144 0.000 0.810 657 L CB 0.403 42.594 42.059 0.221 0.000 1.205 657 L HN 0.436 nan 8.230 nan 0.000 0.422 658 F N 4.164 124.280 119.950 0.277 0.000 2.450 658 F HA 0.483 5.013 4.527 0.005 0.000 0.332 658 F C 0.092 176.095 175.800 0.339 0.000 1.093 658 F CA -0.386 57.760 58.000 0.244 0.000 1.003 658 F CB 1.298 40.327 39.000 0.048 0.000 1.151 658 F HN 0.492 nan 8.300 nan 0.000 0.474 659 H N 0.748 119.925 119.070 0.178 0.000 2.679 659 H HA 0.508 5.067 4.556 0.005 0.000 0.360 659 H C -1.417 173.674 175.328 -0.395 0.000 1.105 659 H CA -0.537 55.280 56.048 -0.386 0.000 1.196 659 H CB 1.982 31.141 29.762 -1.006 0.000 1.636 659 H HN 0.623 nan 8.280 nan 0.000 0.531 660 S N 2.257 117.409 115.700 -0.914 0.000 2.500 660 S HA 0.215 4.689 4.470 0.005 0.000 0.301 660 S C 0.514 174.491 174.600 -1.039 0.000 1.092 660 S CA -0.187 57.300 58.200 -1.188 0.000 1.030 660 S CB 1.294 63.371 63.200 -1.873 0.000 1.031 660 S HN 0.814 nan 8.310 nan 0.000 0.483 661 T N -0.278 113.797 114.554 -0.797 0.000 3.040 661 T HA 0.232 4.585 4.350 0.005 0.000 0.266 661 T C -0.105 174.356 174.700 -0.398 0.000 1.005 661 T CA -0.126 61.622 62.100 -0.587 0.000 0.906 661 T CB -0.227 68.355 68.868 -0.477 0.000 1.082 661 T HN 0.614 nan 8.240 nan 0.000 0.531 662 D N 0.679 120.872 120.400 -0.346 0.000 3.008 662 D HA 0.223 4.866 4.640 0.005 0.000 0.312 662 D C -0.002 176.381 176.300 0.137 0.000 1.361 662 D CA -1.348 52.621 54.000 -0.051 0.000 0.858 662 D CB -1.103 39.669 40.800 -0.047 0.000 1.098 662 D HN 0.231 nan 8.370 nan 0.000 0.482 663 F N 0.408 120.286 119.950 -0.120 0.000 3.034 663 F HA -0.142 4.388 4.527 0.005 0.000 0.286 663 F C 1.726 177.597 175.800 0.119 0.000 0.804 663 F CA 0.846 58.899 58.000 0.087 0.000 1.161 663 F CB -1.571 37.529 39.000 0.165 0.000 1.317 663 F HN 0.501 nan 8.300 nan 0.000 0.453 664 G N -1.340 107.359 108.800 -0.169 0.000 2.176 664 G HA2 -0.082 3.881 3.960 0.005 0.000 0.253 664 G HA3 -0.082 3.881 3.960 0.005 0.000 0.253 664 G C 1.128 175.967 174.900 -0.102 0.000 0.979 664 G CA 0.659 45.570 45.100 -0.316 0.000 0.641 664 G HN 1.432 nan 8.290 nan 0.000 0.530 665 A N -0.300 122.501 122.820 -0.031 0.000 1.940 665 A HA 0.435 4.758 4.320 0.005 0.000 0.219 665 A C 1.657 179.217 177.584 -0.040 0.000 1.176 665 A CA 2.517 54.567 52.037 0.021 0.000 0.631 665 A CB -0.278 18.739 19.000 0.029 0.000 0.814 665 A HN 2.224 nan 8.150 nan 0.000 0.446 666 S N -2.521 113.060 115.700 -0.198 0.000 2.541 666 S HA 0.739 5.212 4.470 0.005 0.000 0.271 666 S C -1.056 173.330 174.600 -0.355 0.000 1.133 666 S CA -0.798 57.316 58.200 -0.144 0.000 0.876 666 S CB 1.128 64.276 63.200 -0.086 0.000 1.105 666 S HN 0.145 nan 8.310 nan 0.000 0.470 667 F N 1.032 120.910 119.950 -0.119 0.000 2.577 667 F HA 0.784 5.315 4.527 0.006 0.000 0.318 667 F C 0.564 176.399 175.800 0.059 0.000 1.065 667 F CA -0.267 57.689 58.000 -0.074 0.000 0.929 667 F CB 2.692 41.658 39.000 -0.056 0.000 1.237 667 F HN 0.862 nan 8.300 nan 0.000 0.468 668 T N 0.598 115.310 114.554 0.265 0.000 2.893 668 T HA 0.434 4.788 4.350 0.005 0.000 0.293 668 T C -0.614 174.138 174.700 0.087 0.000 1.027 668 T CA -0.979 61.241 62.100 0.199 0.000 0.988 668 T CB 1.668 70.568 68.868 0.054 0.000 1.043 668 T HN 0.713 nan 8.240 nan 0.000 0.461 669 R N 1.968 122.368 120.500 -0.166 0.000 2.570 669 R HA 0.414 4.757 4.340 0.005 0.000 0.277 669 R C -0.099 176.071 176.300 -0.217 0.000 1.039 669 R CA -0.095 55.628 56.100 -0.628 0.000 1.065 669 R CB 0.182 30.131 30.300 -0.585 0.000 0.964 669 R HN 0.705 nan 8.270 nan 0.000 0.428 670 V N 1.921 121.758 119.914 -0.128 0.000 2.604 670 V HA 0.752 4.875 4.120 0.005 0.000 0.305 670 V C 0.593 176.733 176.094 0.077 0.000 1.043 670 V CA 0.130 62.462 62.300 0.052 0.000 0.888 670 V CB 1.076 33.031 31.823 0.221 0.000 0.995 670 V HN 1.097 nan 8.190 nan 0.000 0.429 671 G N 4.511 113.356 108.800 0.075 0.000 2.574 671 G HA2 -0.251 3.712 3.960 0.005 0.000 0.282 671 G HA3 -0.251 3.712 3.960 0.005 0.000 0.282 671 G C 0.733 175.674 174.900 0.069 0.000 1.257 671 G CA 1.181 46.344 45.100 0.104 0.000 0.956 671 G HN 2.381 nan 8.290 nan 0.000 0.560 672 T N -2.112 112.499 114.554 0.095 0.000 3.043 672 T HA 0.688 5.041 4.350 0.005 0.000 0.272 672 T C 1.058 175.718 174.700 -0.066 0.000 0.990 672 T CA 1.322 63.426 62.100 0.007 0.000 0.897 672 T CB 0.310 69.176 68.868 -0.003 0.000 1.111 672 T HN 2.111 nan 8.240 nan 0.000 0.529 673 A N 2.108 124.889 122.820 -0.064 0.000 2.511 673 A HA 0.520 4.843 4.320 0.005 0.000 0.242 673 A C 0.174 177.633 177.584 -0.208 0.000 1.069 673 A CA -0.258 51.591 52.037 -0.314 0.000 0.763 673 A CB -0.231 18.479 19.000 -0.483 0.000 1.001 673 A HN 0.453 nan 8.150 nan 0.000 0.498 674 N N 0.529 119.077 118.700 -0.254 0.000 2.407 674 N HA 0.617 5.361 4.740 0.005 0.000 0.277 674 N C -0.790 174.629 175.510 -0.152 0.000 0.995 674 N CA 0.322 53.289 53.050 -0.138 0.000 0.903 674 N CB 1.543 39.970 38.487 -0.099 0.000 1.218 674 N HN 0.842 nan 8.380 nan 0.000 0.487 675 A N 1.733 124.516 122.820 -0.062 0.000 2.401 675 A HA 0.572 4.895 4.320 0.005 0.000 0.310 675 A C 0.733 178.363 177.584 0.076 0.000 1.075 675 A CA -0.392 51.631 52.037 -0.024 0.000 0.746 675 A CB 0.926 19.906 19.000 -0.033 0.000 1.277 675 A HN 0.715 nan 8.150 nan 0.000 0.425 676 T N -0.888 113.747 114.554 0.136 0.000 2.971 676 T HA 0.445 4.798 4.350 0.005 0.000 0.252 676 T C 0.193 175.009 174.700 0.193 0.000 1.022 676 T CA 0.324 62.527 62.100 0.173 0.000 0.980 676 T CB -0.435 68.552 68.868 0.198 0.000 1.044 676 T HN 0.387 nan 8.240 nan 0.000 0.501 677 L N 1.333 122.694 121.223 0.230 0.000 2.401 677 L HA 0.873 5.216 4.340 0.005 0.000 0.266 677 L C -1.306 175.684 176.870 0.200 0.000 0.991 677 L CA -1.336 53.630 54.840 0.210 0.000 0.818 677 L CB 2.768 44.954 42.059 0.211 0.000 1.321 677 L HN 0.000 nan 8.230 nan 0.000 0.413 678 V N 1.122 121.145 119.914 0.181 0.000 2.888 678 V HA 0.841 4.964 4.120 0.005 0.000 0.309 678 V C -1.310 174.882 176.094 0.165 0.000 1.114 678 V CA 0.037 62.431 62.300 0.156 0.000 0.940 678 V CB 2.377 34.273 31.823 0.123 0.000 1.021 678 V HN 0.805 nan 8.190 nan 0.000 0.426 679 S N 4.098 119.898 115.700 0.167 0.000 2.543 679 S HA 0.768 5.241 4.470 0.005 0.000 0.271 679 S C -1.551 173.178 174.600 0.215 0.000 1.148 679 S CA -0.404 57.902 58.200 0.178 0.000 0.914 679 S CB 1.784 65.076 63.200 0.153 0.000 1.096 679 S HN 1.041 nan 8.310 nan 0.000 0.471 680 V N 4.139 124.171 119.914 0.196 0.000 2.435 680 V HA 0.826 4.949 4.120 0.005 0.000 0.290 680 V C 1.078 177.323 176.094 0.251 0.000 1.030 680 V CA 0.091 62.525 62.300 0.225 0.000 0.881 680 V CB 1.059 33.016 31.823 0.222 0.000 0.983 680 V HN 1.010 nan 8.190 nan 0.000 0.445 681 G N 2.324 111.331 108.800 0.344 0.000 3.286 681 G HA2 0.746 4.709 3.960 0.005 0.000 0.166 681 G HA3 0.746 4.709 3.960 0.005 0.000 0.166 681 G C -0.263 174.900 174.900 0.439 0.000 1.155 681 G CA -0.112 45.193 45.100 0.342 0.000 0.871 681 G HN 1.000 nan 8.290 nan 0.000 0.637 682 A N 0.953 124.041 122.820 0.447 0.000 2.340 682 A HA 0.718 5.041 4.320 0.005 0.000 0.268 682 A C -2.144 175.685 177.584 0.408 0.000 1.100 682 A CA -1.098 51.212 52.037 0.456 0.000 0.803 682 A CB 0.442 19.670 19.000 0.379 0.000 1.043 682 A HN 0.404 nan 8.150 nan 0.000 0.488 683 P HA 0.151 nan 4.420 nan 0.000 0.274 683 P C -0.293 176.972 177.300 -0.059 0.000 1.231 683 P CA -0.372 62.792 63.100 0.106 0.000 0.790 683 P CB 0.727 32.411 31.700 -0.026 0.000 0.951 695 P HA 0.410 nan 4.420 nan 0.000 0.271 695 P C 0.020 177.377 177.300 0.095 0.000 1.216 695 P CA 0.019 63.156 63.100 0.062 0.000 0.776 695 P CB 0.611 32.346 31.700 0.058 0.000 0.881 696 S N 1.131 116.931 115.700 0.167 0.000 2.573 696 S HA 0.200 4.674 4.470 0.005 0.000 0.297 696 S C 0.597 175.303 174.600 0.178 0.000 1.280 696 S CA -0.208 58.137 58.200 0.241 0.000 1.061 696 S CB -0.107 63.294 63.200 0.335 0.000 0.812 696 S HN 0.654 nan 8.310 nan 0.000 0.500 697 A N 3.531 126.477 122.820 0.210 0.000 2.462 697 A HA 0.441 4.764 4.320 0.005 0.000 0.243 697 A C -0.067 177.513 177.584 -0.006 0.000 1.076 697 A CA -0.453 51.616 52.037 0.054 0.000 0.773 697 A CB 0.120 19.151 19.000 0.052 0.000 1.010 697 A HN 0.650 nan 8.150 nan 0.000 0.493 698 V N 2.969 122.732 119.914 -0.251 0.000 2.384 698 V HA 0.450 4.573 4.120 0.005 0.000 0.287 698 V C -0.800 175.167 176.094 -0.212 0.000 1.020 698 V CA -0.188 61.964 62.300 -0.247 0.000 0.850 698 V CB 0.688 32.163 31.823 -0.580 0.000 0.987 698 V HN 0.677 nan 8.190 nan 0.000 0.436 699 F N 5.393 125.376 119.950 0.056 0.000 2.450 699 F HA 0.764 5.294 4.527 0.005 0.000 0.332 699 F C 0.262 176.145 175.800 0.139 0.000 1.093 699 F CA -0.773 57.320 58.000 0.156 0.000 1.003 699 F CB 1.692 40.758 39.000 0.110 0.000 1.151 699 F HN 0.449 nan 8.300 nan 0.000 0.474 700 I N -0.667 120.094 120.570 0.319 0.000 2.828 700 I HA 0.491 4.665 4.170 0.005 0.000 0.302 700 I C -1.795 174.479 176.117 0.261 0.000 1.101 700 I CA -0.849 60.550 61.300 0.166 0.000 1.031 700 I CB 2.815 40.719 38.000 -0.160 0.000 1.231 700 I HN 0.686 nan 8.210 nan 0.000 0.427 701 W N 6.334 127.679 121.300 0.074 0.000 2.376 701 W HA 0.670 5.333 4.660 0.005 0.000 0.312 701 W C -0.226 176.318 176.519 0.041 0.000 1.060 701 W CA 0.467 57.858 57.345 0.077 0.000 1.221 701 W CB 1.573 31.078 29.460 0.076 0.000 1.281 701 W HN 1.095 nan 8.180 nan 0.000 0.456 702 G N 2.733 111.246 108.800 -0.478 0.000 2.439 702 G HA2 0.151 4.114 3.960 0.005 0.000 0.186 702 G HA3 0.151 4.114 3.960 0.005 0.000 0.186 702 G C -0.903 173.804 174.900 -0.320 0.000 1.260 702 G CA -0.065 44.839 45.100 -0.327 0.000 1.020 702 G HN 0.582 nan 8.290 nan 0.000 0.470 703 T N -1.485 112.870 114.554 -0.332 0.000 2.908 703 T HA 0.589 4.943 4.350 0.005 0.000 0.290 703 T C 0.513 174.751 174.700 -0.769 0.000 1.034 703 T CA 0.575 62.416 62.100 -0.430 0.000 1.010 703 T CB 2.221 70.928 68.868 -0.269 0.000 1.068 703 T HN 0.745 nan 8.240 nan 0.000 0.481 704 D N 0.913 120.642 120.400 -1.118 0.000 2.271 704 D HA 0.071 4.714 4.640 0.005 0.000 0.206 704 D C 0.398 176.369 176.300 -0.548 0.000 0.967 704 D CA 0.468 53.763 54.000 -1.175 0.000 0.867 704 D CB 0.086 40.090 40.800 -1.328 0.000 0.960 704 D HN 0.851 nan 8.370 nan 0.000 0.509 705 K N -0.992 119.185 120.400 -0.370 0.000 2.556 705 K HA 0.579 4.902 4.320 0.005 0.000 0.274 705 K C -3.266 173.245 176.600 -0.148 0.000 0.966 705 K CA -2.015 54.158 56.287 -0.190 0.000 0.865 705 K CB 1.301 33.736 32.500 -0.108 0.000 1.444 705 K HN -0.347 nan 8.250 nan 0.000 0.433 706 P HA 0.014 nan 4.420 nan 0.000 0.264 706 P C 0.621 177.886 177.300 -0.058 0.000 1.183 706 P CA 1.494 64.552 63.100 -0.071 0.000 0.763 706 P CB 0.555 32.228 31.700 -0.046 0.000 0.807 707 G N 1.583 110.353 108.800 -0.051 0.000 2.225 707 G HA2 -0.245 3.718 3.960 0.005 0.000 0.254 707 G HA3 -0.245 3.718 3.960 0.005 0.000 0.254 707 G C 0.414 175.292 174.900 -0.037 0.000 0.988 707 G CA 0.338 45.416 45.100 -0.037 0.000 0.625 707 G HN 0.806 nan 8.290 nan 0.000 0.527 708 S N 0.315 115.981 115.700 -0.057 0.000 2.669 708 S HA 0.593 5.066 4.470 0.005 0.000 0.270 708 S C -0.273 174.312 174.600 -0.025 0.000 1.225 708 S CA -0.343 57.836 58.200 -0.036 0.000 0.991 708 S CB 1.649 64.816 63.200 -0.056 0.000 0.987 708 S HN 0.144 nan 8.310 nan 0.000 0.552 709 D N 0.647 121.057 120.400 0.017 0.000 2.424 709 D HA 0.246 4.889 4.640 0.005 0.000 0.244 709 D C 0.078 176.352 176.300 -0.042 0.000 1.134 709 D CA 0.050 54.044 54.000 -0.010 0.000 0.881 709 D CB 0.160 40.952 40.800 -0.014 0.000 1.191 709 D HN 0.491 nan 8.370 nan 0.000 0.445 710 I N 1.780 122.279 120.570 -0.119 0.000 2.668 710 I HA 0.304 4.477 4.170 0.005 0.000 0.285 710 I C 1.354 177.153 176.117 -0.530 0.000 1.168 710 I CA 0.821 61.952 61.300 -0.281 0.000 1.424 710 I CB 0.294 38.186 38.000 -0.179 0.000 1.377 710 I HN 0.409 nan 8.210 nan 0.000 0.560 711 G N 5.654 113.894 108.800 -0.934 0.000 2.428 711 G HA2 0.417 4.380 3.960 0.005 0.000 0.305 711 G HA3 0.417 4.380 3.960 0.005 0.000 0.305 711 G C -2.050 172.193 174.900 -1.095 0.000 1.260 711 G CA -0.818 43.545 45.100 -1.229 0.000 0.853 711 G HN 0.350 nan 8.290 nan 0.000 0.480 712 L N 0.680 121.549 121.223 -0.589 0.000 2.272 712 L HA 0.824 5.168 4.340 0.005 0.000 0.289 712 L C -1.479 175.196 176.870 -0.324 0.000 1.032 712 L CA -1.051 53.738 54.840 -0.085 0.000 0.810 712 L CB 0.412 42.636 42.059 0.275 0.000 1.205 712 L HN 0.495 nan 8.230 nan 0.000 0.422 713 Y N 4.051 124.383 120.300 0.053 0.000 2.536 713 Y HA 0.660 5.214 4.550 0.005 0.000 0.347 713 Y C -0.115 175.902 175.900 0.195 0.000 1.000 713 Y CA -0.803 57.351 58.100 0.089 0.000 1.051 713 Y CB 1.808 40.235 38.460 -0.055 0.000 1.259 713 Y HN 0.472 nan 8.280 nan 0.000 0.468 714 R N 1.051 121.731 120.500 0.300 0.000 2.599 714 R HA 0.668 5.011 4.340 0.005 0.000 0.295 714 R C -1.329 174.922 176.300 -0.081 0.000 0.963 714 R CA -0.539 55.471 56.100 -0.151 0.000 0.883 714 R CB 1.854 31.835 30.300 -0.530 0.000 1.171 714 R HN 0.699 nan 8.270 nan 0.000 0.450 715 S N 1.874 117.304 115.700 -0.449 0.000 2.519 715 S HA 0.245 4.718 4.470 0.005 0.000 0.309 715 S C -0.498 173.845 174.600 -0.429 0.000 1.100 715 S CA -0.709 57.062 58.200 -0.715 0.000 1.059 715 S CB 1.194 63.478 63.200 -1.527 0.000 1.008 715 S HN 0.649 nan 8.310 nan 0.000 0.478 716 D N 2.899 123.138 120.400 -0.268 0.000 2.342 716 D HA 0.131 4.774 4.640 0.005 0.000 0.221 716 D C -0.173 176.050 176.300 -0.128 0.000 1.101 716 D CA 0.219 54.144 54.000 -0.124 0.000 0.837 716 D CB 0.431 41.215 40.800 -0.025 0.000 0.938 716 D HN 0.740 nan 8.370 nan 0.000 0.508 717 D N -0.698 119.580 120.400 -0.203 0.000 2.940 717 D HA 0.005 4.648 4.640 0.005 0.000 0.366 717 D C 0.046 176.271 176.300 -0.125 0.000 1.446 717 D CA -0.572 53.344 54.000 -0.139 0.000 0.780 717 D CB -0.562 40.158 40.800 -0.134 0.000 1.206 717 D HN -0.284 nan 8.370 nan 0.000 0.454 718 N N 0.735 119.376 118.700 -0.098 0.000 2.747 718 N HA -0.157 4.586 4.740 0.005 0.000 0.249 718 N C 1.045 176.614 175.510 0.097 0.000 1.107 718 N CA 1.458 54.564 53.050 0.094 0.000 0.707 718 N CB -1.260 37.330 38.487 0.171 0.000 1.054 718 N HN 0.846 nan 8.380 nan 0.000 0.555 719 G N -2.682 105.916 108.800 -0.336 0.000 2.159 719 G HA2 -0.302 3.661 3.960 0.005 0.000 0.227 719 G HA3 -0.302 3.661 3.960 0.005 0.000 0.227 719 G C 0.944 175.663 174.900 -0.300 0.000 0.986 719 G CA 0.643 45.485 45.100 -0.430 0.000 0.651 719 G HN 0.443 nan 8.290 nan 0.000 0.523 720 S N -0.338 115.191 115.700 -0.285 0.000 2.371 720 S HA 0.219 4.692 4.470 0.005 0.000 0.221 720 S C 1.402 175.885 174.600 -0.194 0.000 1.036 720 S CA 1.676 59.792 58.200 -0.140 0.000 0.965 720 S CB 0.088 63.237 63.200 -0.084 0.000 0.845 720 S HN 1.411 nan 8.310 nan 0.000 0.475 721 T N -1.262 113.072 114.554 -0.367 0.000 2.932 721 T HA 0.686 5.039 4.350 0.005 0.000 0.289 721 T C -1.422 172.919 174.700 -0.599 0.000 1.039 721 T CA -0.858 61.068 62.100 -0.290 0.000 1.024 721 T CB 1.355 70.144 68.868 -0.132 0.000 1.090 721 T HN 0.353 nan 8.240 nan 0.000 0.496 722 W N 0.164 121.438 121.300 -0.042 0.000 2.998 722 W HA 0.579 5.242 4.660 0.006 0.000 0.335 722 W C -0.319 176.242 176.519 0.069 0.000 1.110 722 W CA -0.780 56.554 57.345 -0.018 0.000 1.230 722 W CB 2.255 31.656 29.460 -0.098 0.000 1.405 722 W HN 0.875 nan 8.180 nan 0.000 0.493 723 T N 1.971 116.724 114.554 0.332 0.000 2.829 723 T HA 0.527 4.880 4.350 0.005 0.000 0.280 723 T C -0.543 174.342 174.700 0.307 0.000 0.999 723 T CA -0.779 61.486 62.100 0.275 0.000 0.983 723 T CB 0.799 69.771 68.868 0.173 0.000 0.968 723 T HN 0.427 nan 8.240 nan 0.000 0.446 724 R N 3.918 124.547 120.500 0.216 0.000 2.370 724 R HA 0.366 4.709 4.340 0.005 0.000 0.309 724 R C 0.651 176.930 176.300 -0.034 0.000 1.059 724 R CA 0.121 56.171 56.100 -0.083 0.000 0.981 724 R CB -0.012 30.218 30.300 -0.116 0.000 0.972 724 R HN 0.575 nan 8.270 nan 0.000 0.437 725 V N 4.051 123.883 119.914 -0.135 0.000 2.575 725 V HA -0.023 4.100 4.120 0.005 0.000 0.242 725 V C 1.042 177.108 176.094 -0.047 0.000 1.045 725 V CA 1.378 63.540 62.300 -0.230 0.000 1.065 725 V CB -0.732 30.878 31.823 -0.356 0.000 0.717 725 V HN 0.905 nan 8.190 nan 0.000 0.467 726 N N 1.302 120.012 118.700 0.018 0.000 2.752 726 N HA 0.308 5.051 4.740 0.005 0.000 0.316 726 N C -0.863 174.621 175.510 -0.043 0.000 1.343 726 N CA 0.166 53.252 53.050 0.060 0.000 0.875 726 N CB 1.397 39.923 38.487 0.065 0.000 1.120 726 N HN 0.406 nan 8.380 nan 0.000 0.562 727 D N -3.841 116.531 120.400 -0.046 0.000 2.865 727 D HA 0.043 4.687 4.640 0.005 0.000 0.343 727 D C 0.250 176.550 176.300 0.000 0.000 1.372 727 D CA -0.430 53.566 54.000 -0.006 0.000 0.862 727 D CB 0.254 41.084 40.800 0.051 0.000 1.425 727 D HN 0.575 nan 8.370 nan 0.000 0.501 728 Q N -0.822 118.980 119.800 0.003 0.000 2.291 728 Q HA -0.000 4.343 4.340 0.005 0.000 0.205 728 Q C 0.586 176.575 176.000 -0.018 0.000 0.970 728 Q CA 1.320 57.125 55.803 0.004 0.000 0.876 728 Q CB -0.213 28.530 28.738 0.007 0.000 0.935 728 Q HN 0.409 nan 8.270 nan 0.000 0.455 729 E N 0.335 120.487 120.200 -0.081 0.000 2.442 729 E HA -0.001 4.353 4.350 0.005 0.000 0.195 729 E C -0.285 175.925 176.600 -0.649 0.000 1.030 729 E CA 0.535 56.785 56.400 -0.249 0.000 0.869 729 E CB 0.365 29.900 29.700 -0.274 0.000 0.857 729 E HN 0.541 nan 8.360 nan 0.000 0.505 730 H N -0.312 118.500 119.070 -0.430 0.000 2.412 730 H HA 0.334 4.893 4.556 0.005 0.000 0.239 730 H C 0.374 175.348 175.328 -0.589 0.000 1.388 730 H CA -0.251 55.313 56.048 -0.806 0.000 1.148 730 H CB 0.235 29.430 29.762 -0.944 0.000 1.637 730 H HN -0.034 nan 8.280 nan 0.000 0.542 731 N N 0.102 118.530 118.700 -0.454 0.000 2.482 731 N HA -0.056 4.688 4.740 0.005 0.000 0.179 731 N C -0.116 175.409 175.510 0.025 0.000 1.039 731 N CA 0.378 53.406 53.050 -0.037 0.000 0.884 731 N CB 0.432 38.948 38.487 0.049 0.000 1.113 731 N HN 0.393 nan 8.380 nan 0.000 0.440 732 Y N 0.669 120.926 120.300 -0.073 0.000 4.409 732 Y HA -0.311 4.242 4.550 0.005 0.000 0.228 732 Y C 0.957 176.801 175.900 -0.093 0.000 1.108 732 Y CA 0.782 58.823 58.100 -0.097 0.000 1.955 732 Y CB -2.522 35.895 38.460 -0.072 0.000 1.615 732 Y HN 0.264 nan 8.280 nan 0.000 0.665 733 S N -2.579 113.132 115.700 0.018 0.000 3.228 733 S HA -0.014 4.459 4.470 0.005 0.000 0.282 733 S C 1.038 175.630 174.600 -0.014 0.000 1.286 733 S CA 1.106 59.313 58.200 0.013 0.000 1.066 733 S CB -1.857 61.339 63.200 -0.007 0.000 1.277 733 S HN 2.530 nan 8.310 nan 0.000 0.661 734 G N 0.356 109.117 108.800 -0.065 0.000 2.733 734 G HA2 0.142 4.105 3.960 0.005 0.000 0.686 734 G HA3 0.142 4.105 3.960 0.005 0.000 0.686 734 G C -2.265 172.387 174.900 -0.412 0.000 1.373 734 G CA -0.296 44.589 45.100 -0.358 0.000 0.838 734 G HN 0.947 nan 8.290 nan 0.000 0.588 735 P HA 0.296 nan 4.420 nan 0.000 0.284 735 P C 0.821 177.948 177.300 -0.288 0.000 1.253 735 P CA 0.383 63.233 63.100 -0.417 0.000 0.800 735 P CB 1.686 33.113 31.700 -0.455 0.000 0.961 736 T N 1.100 115.569 114.554 -0.142 0.000 3.014 736 T HA 0.104 4.458 4.350 0.005 0.000 0.263 736 T C 0.926 175.601 174.700 -0.040 0.000 1.078 736 T CA 0.594 62.651 62.100 -0.073 0.000 1.135 736 T CB -0.294 68.558 68.868 -0.026 0.000 0.895 736 T HN 0.483 nan 8.240 nan 0.000 0.480 737 M N 1.157 120.735 119.600 -0.038 0.000 2.622 737 M HA 0.596 5.079 4.480 0.005 0.000 0.276 737 M C -1.578 174.724 176.300 0.003 0.000 1.265 737 M CA -1.740 53.562 55.300 0.003 0.000 0.850 737 M CB 1.530 34.152 32.600 0.037 0.000 1.720 737 M HN 0.217 nan 8.290 nan 0.000 0.465 738 I N -0.555 120.043 120.570 0.048 0.000 2.603 738 I HA 0.905 5.078 4.170 0.005 0.000 0.300 738 I C -1.093 175.070 176.117 0.076 0.000 1.017 738 I CA -0.515 60.822 61.300 0.061 0.000 1.098 738 I CB 2.231 40.290 38.000 0.098 0.000 1.279 738 I HN 0.837 nan 8.210 nan 0.000 0.437 739 E N 4.368 124.614 120.200 0.078 0.000 2.283 739 E HA 0.653 5.007 4.350 0.005 0.000 0.258 739 E C -1.051 175.600 176.600 0.084 0.000 0.893 739 E CA -0.515 55.949 56.400 0.107 0.000 0.798 739 E CB 1.734 31.508 29.700 0.124 0.000 1.242 739 E HN 0.920 nan 8.360 nan 0.000 0.414 740 A N 4.069 126.883 122.820 -0.011 0.000 2.425 740 A HA 0.264 4.587 4.320 0.005 0.000 0.249 740 A C -0.048 177.568 177.584 0.053 0.000 1.084 740 A CA -0.319 51.635 52.037 -0.138 0.000 0.781 740 A CB 0.384 19.370 19.000 -0.023 0.000 1.019 740 A HN 0.662 nan 8.150 nan 0.000 0.490 741 D N 2.876 123.293 120.400 0.028 0.000 2.336 741 D HA 0.263 4.906 4.640 0.005 0.000 0.249 741 D C -1.668 174.749 176.300 0.194 0.000 1.213 741 D CA -1.659 52.440 54.000 0.166 0.000 0.870 741 D CB 1.267 42.143 40.800 0.126 0.000 1.076 741 D HN 0.153 nan 8.370 nan 0.000 0.483 742 P HA -0.070 nan 4.420 nan 0.000 0.225 742 P C 0.516 178.135 177.300 0.532 0.000 1.148 742 P CA 1.075 64.378 63.100 0.340 0.000 0.779 742 P CB 0.332 32.070 31.700 0.063 0.000 0.780 743 K N -1.606 118.999 120.400 0.342 0.000 2.354 743 K HA 0.209 4.532 4.320 0.005 0.000 0.194 743 K C -0.060 176.661 176.600 0.201 0.000 1.038 743 K CA 0.284 56.743 56.287 0.287 0.000 1.052 743 K CB 0.865 33.496 32.500 0.217 0.000 0.861 743 K HN -0.065 nan 8.250 nan 0.000 0.535 744 V N 2.025 122.053 119.914 0.190 0.000 2.488 744 V HA 0.107 4.231 4.120 0.005 0.000 0.293 744 V C -1.183 175.008 176.094 0.163 0.000 1.027 744 V CA -1.142 61.244 62.300 0.144 0.000 0.862 744 V CB 0.863 32.735 31.823 0.081 0.000 1.008 744 V HN 0.148 nan 8.190 nan 0.000 0.428 745 Y N 4.265 124.619 120.300 0.090 0.000 2.632 745 Y HA 0.448 5.001 4.550 0.005 0.000 0.329 745 Y C 1.250 177.226 175.900 0.127 0.000 1.174 745 Y CA 1.220 59.387 58.100 0.111 0.000 1.469 745 Y CB 0.708 39.202 38.460 0.057 0.000 1.242 745 Y HN 0.995 nan 8.280 nan 0.000 0.540 746 G N 4.635 113.088 108.800 -0.578 0.000 2.194 746 G HA2 -0.288 3.675 3.960 0.005 0.000 0.236 746 G HA3 -0.288 3.675 3.960 0.005 0.000 0.236 746 G C 0.346 175.297 174.900 0.084 0.000 0.987 746 G CA 0.031 44.902 45.100 -0.382 0.000 0.635 746 G HN 0.819 nan 8.290 nan 0.000 0.520 747 R N 0.485 120.946 120.500 -0.065 0.000 2.254 747 R HA 0.579 4.922 4.340 0.005 0.000 0.318 747 R C -0.060 175.912 176.300 -0.547 0.000 1.031 747 R CA 0.036 56.000 56.100 -0.226 0.000 0.905 747 R CB 0.940 31.107 30.300 -0.222 0.000 1.050 747 R HN 0.405 nan 8.270 nan 0.000 0.456 748 V N 2.704 122.220 119.914 -0.663 0.000 2.789 748 V HA 0.469 4.592 4.120 0.005 0.000 0.311 748 V C -1.197 174.557 176.094 -0.566 0.000 1.073 748 V CA -1.199 60.666 62.300 -0.725 0.000 0.921 748 V CB 1.453 32.824 31.823 -0.754 0.000 1.009 748 V HN 0.606 nan 8.190 nan 0.000 0.426 749 Y N 3.040 123.249 120.300 -0.150 0.000 2.342 749 Y HA 0.734 5.287 4.550 0.005 0.000 0.334 749 Y C 0.060 175.920 175.900 -0.066 0.000 1.067 749 Y CA -0.966 57.092 58.100 -0.070 0.000 1.128 749 Y CB 1.650 40.059 38.460 -0.085 0.000 1.200 749 Y HN 0.460 nan 8.280 nan 0.000 0.464 750 L N 3.379 124.655 121.223 0.088 0.000 2.319 750 L HA 0.586 4.929 4.340 0.005 0.000 0.281 750 L C 0.437 177.299 176.870 -0.013 0.000 1.005 750 L CA -0.824 54.022 54.840 0.010 0.000 0.828 750 L CB 1.477 43.522 42.059 -0.023 0.000 1.227 750 L HN 0.849 nan 8.230 nan 0.000 0.415 751 G N 1.445 110.233 108.800 -0.021 0.000 2.320 751 G HA2 0.490 4.453 3.960 0.005 0.000 0.300 751 G HA3 0.490 4.453 3.960 0.005 0.000 0.300 751 G C 0.164 175.032 174.900 -0.054 0.000 1.126 751 G CA -0.093 44.990 45.100 -0.029 0.000 0.896 751 G HN 0.605 nan 8.290 nan 0.000 0.436 752 T N -0.488 114.037 114.554 -0.047 0.000 2.949 752 T HA 0.398 4.751 4.350 0.005 0.000 0.287 752 T C 0.025 174.718 174.700 -0.012 0.000 1.034 752 T CA -1.015 61.059 62.100 -0.043 0.000 1.018 752 T CB 1.908 70.756 68.868 -0.033 0.000 1.135 752 T HN 0.402 nan 8.240 nan 0.000 0.532 753 N N -0.123 118.576 118.700 -0.002 0.000 2.949 753 N HA 0.454 5.197 4.740 0.005 0.000 0.243 753 N C 0.942 176.471 175.510 0.032 0.000 1.113 753 N CA 0.118 53.182 53.050 0.024 0.000 0.980 753 N CB -0.556 37.951 38.487 0.033 0.000 1.256 753 N HN 1.091 nan 8.380 nan 0.000 0.508 754 G N 2.398 111.221 108.800 0.039 0.000 2.336 754 G HA2 -0.157 3.807 3.960 0.005 0.000 0.194 754 G HA3 -0.157 3.807 3.960 0.005 0.000 0.194 754 G C 0.665 175.606 174.900 0.067 0.000 0.999 754 G CA -0.522 44.609 45.100 0.052 0.000 0.669 754 G HN 0.484 nan 8.290 nan 0.000 0.482 755 R N 1.093 121.628 120.500 0.058 0.000 2.652 755 R HA 0.445 4.788 4.340 0.005 0.000 0.372 755 R C 1.425 177.749 176.300 0.042 0.000 1.104 755 R CA 0.740 56.889 56.100 0.081 0.000 1.072 755 R CB 0.377 30.746 30.300 0.116 0.000 1.367 755 R HN 1.238 nan 8.270 nan 0.000 0.577 756 G N 1.681 110.498 108.800 0.028 0.000 2.564 756 G HA2 -0.320 3.643 3.960 0.005 0.000 0.273 756 G HA3 -0.320 3.643 3.960 0.005 0.000 0.273 756 G C -0.093 174.792 174.900 -0.026 0.000 1.242 756 G CA -0.304 44.798 45.100 0.004 0.000 0.951 756 G HN 0.260 nan 8.290 nan 0.000 0.564 757 I N 0.465 121.021 120.570 -0.022 0.000 2.339 757 I HA 0.505 4.678 4.170 0.005 0.000 0.290 757 I C 0.356 176.488 176.117 0.026 0.000 0.994 757 I CA -0.874 60.418 61.300 -0.013 0.000 1.191 757 I CB 1.627 39.601 38.000 -0.043 0.000 1.343 757 I HN 0.374 nan 8.210 nan 0.000 0.458 758 V N 6.547 126.444 119.914 -0.028 0.000 2.630 758 V HA 0.467 4.590 4.120 0.005 0.000 0.305 758 V C -0.803 175.364 176.094 0.123 0.000 1.046 758 V CA -0.720 61.543 62.300 -0.062 0.000 0.934 758 V CB 1.539 33.097 31.823 -0.441 0.000 1.003 758 V HN 0.627 nan 8.190 nan 0.000 0.451 759 Y N 1.353 121.614 120.300 -0.065 0.000 2.442 759 Y HA 0.899 5.452 4.550 0.005 0.000 0.344 759 Y C -0.286 175.407 175.900 -0.344 0.000 0.976 759 Y CA -1.503 56.465 58.100 -0.220 0.000 1.040 759 Y CB 1.472 39.757 38.460 -0.292 0.000 1.228 759 Y HN 0.718 nan 8.280 nan 0.000 0.451 760 A N 2.979 125.511 122.820 -0.480 0.000 2.292 760 A HA 0.648 4.972 4.320 0.005 0.000 0.319 760 A C -1.195 176.252 177.584 -0.228 0.000 1.206 760 A CA -0.416 51.134 52.037 -0.812 0.000 0.835 760 A CB 0.580 18.814 19.000 -1.278 0.000 1.164 760 A HN 0.774 nan 8.150 nan 0.000 0.505 761 D N 1.595 121.948 120.400 -0.078 0.000 2.780 761 D HA 0.443 5.086 4.640 0.005 0.000 0.242 761 D C -0.670 175.580 176.300 -0.083 0.000 1.135 761 D CA -0.326 53.680 54.000 0.009 0.000 0.859 761 D CB 1.622 42.431 40.800 0.016 0.000 1.530 761 D HN 0.250 nan 8.370 nan 0.000 0.493 762 L N 2.209 123.254 121.223 -0.296 0.000 2.453 762 L HA 0.307 4.650 4.340 0.005 0.000 0.272 762 L C 1.028 177.796 176.870 -0.168 0.000 1.182 762 L CA 0.605 55.202 54.840 -0.406 0.000 0.858 762 L CB 0.118 41.946 42.059 -0.385 0.000 1.120 762 L HN 0.584 nan 8.230 nan 0.000 0.474 763 T N 0.981 115.452 114.554 -0.139 0.000 2.731 763 T HA 0.641 4.994 4.350 0.005 0.000 0.300 763 T C -0.595 174.076 174.700 -0.048 0.000 1.283 763 T CA -1.115 60.948 62.100 -0.063 0.000 1.005 763 T CB 2.253 71.102 68.868 -0.032 0.000 1.420 763 T HN 0.634 nan 8.240 nan 0.000 0.503 770 E N 2.176 122.406 120.200 0.050 0.000 2.261 770 E HA 0.186 4.539 4.350 0.005 0.000 0.239 770 E C -1.134 175.476 176.600 0.016 0.000 0.991 770 E CA -0.491 55.928 56.400 0.031 0.000 0.847 770 E CB 0.425 30.134 29.700 0.016 0.000 1.223 770 E HN -0.023 nan 8.360 nan 0.000 0.446 771 K N 1.334 121.730 120.400 -0.006 0.000 2.319 771 K HA 0.186 4.510 4.320 0.005 0.000 0.265 771 K C 0.078 176.677 176.600 -0.002 0.000 1.000 771 K CA -0.193 56.061 56.287 -0.055 0.000 0.943 771 K CB 0.845 33.205 32.500 -0.233 0.000 0.950 771 K HN 0.346 nan 8.250 nan 0.000 0.485 772 S N 1.075 116.809 115.700 0.057 0.000 2.568 772 S HA 0.093 4.566 4.470 0.005 0.000 0.282 772 S C 0.494 175.247 174.600 0.255 0.000 1.338 772 S CA -0.273 58.038 58.200 0.185 0.000 1.045 772 S CB 0.367 63.791 63.200 0.373 0.000 0.873 772 S HN 0.653 nan 8.310 nan 0.000 0.516 773 T N -0.928 113.707 114.554 0.135 0.000 2.924 773 T HA 0.877 5.230 4.350 0.005 0.000 0.291 773 T C -0.585 173.929 174.700 -0.310 0.000 1.045 773 T CA -0.861 61.211 62.100 -0.047 0.000 1.015 773 T CB 1.850 70.671 68.868 -0.079 0.000 1.103 773 T HN 0.784 nan 8.240 nan 0.000 0.496 774 A N 1.457 123.891 122.820 -0.643 0.000 2.594 774 A HA 0.893 5.216 4.320 0.005 0.000 0.291 774 A C -1.203 176.099 177.584 -0.470 0.000 1.105 774 A CA -1.230 50.363 52.037 -0.739 0.000 0.694 774 A CB 1.648 19.690 19.000 -1.596 0.000 1.291 774 A HN 1.243 nan 8.150 nan 0.000 0.410 775 K N -0.432 119.758 120.400 -0.350 0.000 2.508 775 K HA 0.677 5.000 4.320 0.005 0.000 0.260 775 K C -1.164 175.301 176.600 -0.226 0.000 0.949 775 K CA -0.568 55.575 56.287 -0.238 0.000 0.834 775 K CB 1.497 33.894 32.500 -0.171 0.000 1.365 775 K HN 0.521 nan 8.250 nan 0.000 0.437 776 c N 2.262 120.762 118.600 -0.168 0.000 2.585 776 c HA 0.319 4.892 4.570 0.005 0.000 0.406 776 c C 1.892 175.875 174.090 -0.178 0.000 1.312 776 c CA 0.165 56.400 56.329 -0.158 0.000 1.924 776 c CB -0.075 42.367 42.510 -0.113 0.000 2.578 776 c HN 1.005 nan 8.230 nan 0.000 0.580 777 A N 3.931 126.595 122.820 -0.260 0.000 1.898 777 A HA -0.148 4.175 4.320 0.005 0.000 0.216 777 A C 1.956 179.493 177.584 -0.079 0.000 1.181 777 A CA 1.926 53.827 52.037 -0.226 0.000 0.620 777 A CB -0.509 18.229 19.000 -0.437 0.000 0.819 777 A HN 0.957 nan 8.150 nan 0.000 0.442 778 N N -0.300 118.364 118.700 -0.060 0.000 2.626 778 N HA 0.141 4.884 4.740 0.005 0.000 0.193 778 N C 1.091 176.568 175.510 -0.056 0.000 1.213 778 N CA 1.437 54.466 53.050 -0.036 0.000 0.914 778 N CB -0.828 37.636 38.487 -0.039 0.000 0.994 778 N HN 0.871 nan 8.380 nan 0.000 0.447 779 G N -1.096 107.665 108.800 -0.066 0.000 2.245 779 G HA2 -0.408 3.555 3.960 0.005 0.000 0.264 779 G HA3 -0.408 3.555 3.960 0.005 0.000 0.264 779 G C 0.101 174.962 174.900 -0.066 0.000 0.985 779 G CA 0.568 45.631 45.100 -0.062 0.000 0.625 779 G HN 0.674 nan 8.290 nan 0.000 0.536 780 Q N 0.636 120.389 119.800 -0.079 0.000 2.450 780 Q HA 0.297 4.640 4.340 0.005 0.000 0.294 780 Q C 1.778 177.750 176.000 -0.046 0.000 1.129 780 Q CA 1.140 56.898 55.803 -0.074 0.000 0.970 780 Q CB 0.414 29.089 28.738 -0.105 0.000 1.294 780 Q HN 0.416 nan 8.270 nan 0.000 0.453 781 K N 1.161 121.551 120.400 -0.017 0.000 1.980 781 K HA -0.210 4.113 4.320 0.005 0.000 0.223 781 K C 1.019 177.617 176.600 -0.004 0.000 1.052 781 K CA 1.947 58.232 56.287 -0.004 0.000 0.974 781 K CB -0.570 31.939 32.500 0.016 0.000 0.734 781 K HN 0.759 nan 8.250 nan 0.000 0.447 782 G N -1.347 107.470 108.800 0.027 0.000 2.754 782 G HA2 -0.028 3.935 3.960 0.005 0.000 0.210 782 G HA3 -0.028 3.935 3.960 0.005 0.000 0.210 782 G C 0.674 175.576 174.900 0.004 0.000 2.092 782 G CA 0.603 45.717 45.100 0.022 0.000 0.766 782 G HN 0.464 nan 8.290 nan 0.000 0.745 783 T N -2.785 111.815 114.554 0.077 0.000 3.252 783 T HA 0.297 4.650 4.350 0.005 0.000 0.286 783 T C 0.017 174.885 174.700 0.279 0.000 1.013 783 T CA -0.233 61.925 62.100 0.097 0.000 0.914 783 T CB -0.260 68.669 68.868 0.102 0.000 1.131 783 T HN 0.398 nan 8.240 nan 0.000 0.529 784 H N 0.840 119.973 119.070 0.104 0.000 2.690 784 H HA 0.323 4.882 4.556 0.005 0.000 0.280 784 H C -0.006 175.194 175.328 -0.215 0.000 1.138 784 H CA -0.732 55.353 56.048 0.062 0.000 1.241 784 H CB 0.493 30.306 29.762 0.085 0.000 1.394 784 H HN 0.341 nan 8.280 nan 0.000 0.489 785 c N 4.740 122.840 118.600 -0.833 0.000 2.697 785 c HA 0.151 4.724 4.570 0.005 0.000 0.267 785 c C 0.046 173.665 174.090 -0.785 0.000 1.278 785 c CA -0.107 55.809 56.329 -0.688 0.000 1.708 785 c CB -2.226 40.051 42.510 -0.389 0.000 1.860 785 c HN 0.905 nan 8.230 nan 0.000 0.589 786 Y N 0.000 119.367 120.300 -1.556 0.000 2.660 786 Y HA 0.000 4.553 4.550 0.005 0.000 0.201 786 Y CA 0.000 57.473 58.100 -1.045 0.000 1.940 786 Y CB 0.000 38.164 38.460 -0.493 0.000 1.050 786 Y HN 0.000 nan 8.280 nan 0.000 0.758