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 1l2a_1_E DATA FIRST_RESID 28 DATA SEQUENCE GPTKAPTKDG TSYKDLFLEL YGKIKDPKNG YFSPDEGIPY HSIETLIVEA DATA SEQUENCE PDYGHVTTSE AFSYYVWLEA MYGNLTGNWS GVETAWKVME DWIIPDSTEQ DATA SEQUENCE PGMSSYNPNS PATYADEYED PSYYPSELKF DTVRVGSDPV HNDLVSAYGP DATA SEQUENCE NMYLMHWLMD VDNWYGFGTG TRATFINTFQ RGEQESTWET IPHPSIEEFK DATA SEQUENCE YGGPNGFLDL FTKDRSYAKQ WRYTNAPDAE GRAIQAVYWA NKWAKEQGKG DATA SEQUENCE SAVASVVSKA AKMGDFLRND MFDKYFMKIG AQDKTPATGY DSAHYLMAWY DATA SEQUENCE TAWGGGIGAS WAWKIGCSHA HFGYQNPFQG WVSATQSDFA PKSSNGKRDW DATA SEQUENCE TTSYKRQLEF YQWLQSAEGG IAGGATNSWN GRYEKYPAGT STFYGMAYVP DATA SEQUENCE HPVYADPGSN QWFGFQAWSM QRVMEYYLET GDSSVKNLIK KWVDWVMSEI DATA SEQUENCE KLYDDGTFAI PSDLEWSGQP DTWTGTYTGN PNLHVRVTSY GTDLGVAGSL DATA SEQUENCE ANALATYAAA TERWEGKLDT KARDMAAELV NRAWYNFYCS EGKGVVTEEA DATA SEQUENCE RADYKRFFEQ EVYVPAGWSG TMPNGDKIQP GIKFIDIRTK YRQDPYYDIV DATA SEQUENCE YQAYLRGEAP VLNYHRFWHE VDLAVAMGVL ATYFPDMTYK VP 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 28 G C 0.000 174.888 174.900 -0.019 0.000 0.946 28 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 29 P HA 0.574 nan 4.420 nan 0.000 0.274 29 P C -0.536 176.694 177.300 -0.116 0.000 1.246 29 P CA 0.070 63.140 63.100 -0.050 0.000 0.795 29 P CB 1.522 33.191 31.700 -0.052 0.000 1.006 30 T N 0.585 115.062 114.554 -0.128 0.000 2.868 30 T HA 0.258 4.608 4.350 -0.000 0.000 0.306 30 T C -0.679 173.886 174.700 -0.226 0.000 1.224 30 T CA -0.852 61.172 62.100 -0.127 0.000 1.012 30 T CB 1.334 70.197 68.868 -0.010 0.000 1.221 30 T HN 0.207 nan 8.240 nan 0.000 0.499 31 K N 1.552 121.764 120.400 -0.312 0.000 2.350 31 K HA 0.569 4.889 4.320 -0.000 0.000 0.279 31 K C 0.188 176.559 176.600 -0.381 0.000 1.027 31 K CA -0.333 55.627 56.287 -0.545 0.000 0.969 31 K CB 0.676 32.850 32.500 -0.543 0.000 0.954 31 K HN 0.738 nan 8.250 nan 0.000 0.474 32 A N 4.532 127.103 122.820 -0.415 0.000 2.425 32 A HA 0.267 4.587 4.320 -0.000 0.000 0.249 32 A C -1.377 176.039 177.584 -0.280 0.000 1.084 32 A CA -0.936 50.736 52.037 -0.608 0.000 0.781 32 A CB 0.002 18.627 19.000 -0.626 0.000 1.019 32 A HN 0.463 nan 8.150 nan 0.000 0.490 33 P HA 0.065 nan 4.420 nan 0.000 0.255 33 P C 0.198 177.468 177.300 -0.050 0.000 1.248 33 P CA 0.251 63.248 63.100 -0.172 0.000 0.807 33 P CB -0.179 31.407 31.700 -0.190 0.000 1.150 34 T N 1.291 115.830 114.554 -0.024 0.000 2.908 34 T HA 0.292 4.642 4.350 -0.000 0.000 0.301 34 T C 0.729 175.533 174.700 0.172 0.000 1.019 34 T CA 0.330 62.473 62.100 0.072 0.000 1.152 34 T CB 0.065 68.947 68.868 0.023 0.000 0.966 34 T HN 0.216 nan 8.240 nan 0.000 0.540 35 K N 2.697 123.170 120.400 0.122 0.000 2.237 35 K HA 0.226 4.546 4.320 -0.000 0.000 0.270 35 K C 0.156 176.855 176.600 0.164 0.000 1.015 35 K CA -0.806 55.550 56.287 0.115 0.000 0.949 35 K CB 0.168 32.701 32.500 0.055 0.000 0.976 35 K HN 0.703 nan 8.250 nan 0.000 0.472 36 D N 0.841 121.295 120.400 0.090 0.000 2.571 36 D HA 0.277 4.917 4.640 -0.000 0.000 0.231 36 D C 1.381 177.693 176.300 0.019 0.000 1.133 36 D CA 2.251 56.263 54.000 0.019 0.000 0.862 36 D CB 0.708 41.480 40.800 -0.046 0.000 1.179 36 D HN 1.009 nan 8.370 nan 0.000 0.474 37 G N 1.742 110.538 108.800 -0.005 0.000 2.175 37 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 37 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 37 G C 0.489 175.368 174.900 -0.036 0.000 0.982 37 G CA 0.263 45.346 45.100 -0.028 0.000 0.641 37 G HN 0.587 nan 8.290 nan 0.000 0.527 38 T N 2.441 116.989 114.554 -0.009 0.000 2.817 38 T HA 0.473 4.823 4.350 -0.000 0.000 0.295 38 T C 1.073 175.665 174.700 -0.179 0.000 0.958 38 T CA 0.589 62.650 62.100 -0.066 0.000 1.157 38 T CB 1.194 70.025 68.868 -0.062 0.000 0.898 38 T HN 1.250 nan 8.240 nan 0.000 0.536 39 S N 3.138 118.742 115.700 -0.160 0.000 2.584 39 S HA 0.111 4.581 4.470 -0.000 0.000 0.270 39 S C 0.805 175.257 174.600 -0.247 0.000 1.346 39 S CA -0.518 57.570 58.200 -0.186 0.000 1.018 39 S CB 0.213 63.366 63.200 -0.079 0.000 0.899 39 S HN 0.577 nan 8.310 nan 0.000 0.542 40 Y N 1.208 121.497 120.300 -0.017 0.000 2.333 40 Y HA -0.029 4.521 4.550 -0.000 0.000 0.290 40 Y C 2.480 178.353 175.900 -0.044 0.000 1.144 40 Y CA 1.482 59.557 58.100 -0.041 0.000 1.228 40 Y CB -0.486 37.965 38.460 -0.015 0.000 0.985 40 Y HN 0.813 nan 8.280 nan 0.000 0.542 41 K N 0.422 120.860 120.400 0.064 0.000 2.032 41 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 41 K C 1.478 178.108 176.600 0.049 0.000 1.048 41 K CA 2.098 58.397 56.287 0.020 0.000 0.927 41 K CB -0.164 32.306 32.500 -0.051 0.000 0.712 41 K HN 0.155 nan 8.250 nan 0.000 0.441 42 D N 0.817 121.208 120.400 -0.014 0.000 2.144 42 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 42 D C 2.036 178.297 176.300 -0.065 0.000 0.978 42 D CA 0.907 54.890 54.000 -0.028 0.000 0.833 42 D CB -0.098 40.673 40.800 -0.048 0.000 0.961 42 D HN 0.253 nan 8.370 nan 0.000 0.470 43 L N -0.053 121.082 121.223 -0.145 0.000 2.042 43 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 43 L C 2.393 179.139 176.870 -0.206 0.000 1.076 43 L CA 0.864 55.510 54.840 -0.324 0.000 0.749 43 L CB -0.407 41.365 42.059 -0.477 0.000 0.893 43 L HN 0.004 nan 8.230 nan 0.000 0.432 44 F N 0.751 120.613 119.950 -0.146 0.000 2.075 44 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 44 F C 2.214 178.023 175.800 0.014 0.000 1.113 44 F CA 1.596 59.553 58.000 -0.072 0.000 1.218 44 F CB -0.218 38.742 39.000 -0.067 0.000 0.984 44 F HN -0.133 nan 8.300 nan 0.000 0.472 45 L N 0.156 121.389 121.223 0.017 0.000 2.083 45 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 45 L C 2.548 179.409 176.870 -0.015 0.000 1.083 45 L CA 1.863 56.704 54.840 0.002 0.000 0.752 45 L CB -0.919 41.194 42.059 0.089 0.000 0.899 45 L HN 0.306 nan 8.230 nan 0.000 0.433 46 E N 0.688 120.871 120.200 -0.029 0.000 2.047 46 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 46 E C 2.398 179.005 176.600 0.011 0.000 0.987 46 E CA 1.041 57.458 56.400 0.028 0.000 0.799 46 E CB 0.004 29.748 29.700 0.073 0.000 0.752 46 E HN 0.439 nan 8.360 nan 0.000 0.449 47 L N 0.307 121.472 121.223 -0.097 0.000 2.046 47 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 47 L C 2.519 179.282 176.870 -0.178 0.000 1.077 47 L CA 1.565 56.357 54.840 -0.080 0.000 0.747 47 L CB -0.438 41.551 42.059 -0.115 0.000 0.896 47 L HN 0.332 nan 8.230 nan 0.000 0.432 48 Y N 0.407 120.411 120.300 -0.493 0.000 2.081 48 Y HA -0.265 4.285 4.550 -0.000 0.000 0.280 48 Y C 2.270 178.026 175.900 -0.239 0.000 1.163 48 Y CA 1.996 59.812 58.100 -0.474 0.000 1.135 48 Y CB -0.748 37.302 38.460 -0.683 0.000 0.970 48 Y HN 0.166 nan 8.280 nan 0.000 0.498 49 G N 0.192 108.998 108.800 0.011 0.000 2.469 49 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.219 49 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.219 49 G C 1.640 176.499 174.900 -0.068 0.000 1.150 49 G CA 1.233 46.331 45.100 -0.004 0.000 0.763 49 G HN 0.430 nan 8.290 nan 0.000 0.561 50 K N -0.102 120.274 120.400 -0.039 0.000 2.097 50 K HA 0.067 4.387 4.320 -0.000 0.000 0.205 50 K C 2.441 179.036 176.600 -0.008 0.000 1.050 50 K CA 0.867 57.157 56.287 0.003 0.000 0.938 50 K CB -0.209 32.320 32.500 0.048 0.000 0.718 50 K HN 0.350 nan 8.250 nan 0.000 0.442 51 I N 1.336 121.792 120.570 -0.189 0.000 2.226 51 I HA -0.252 3.917 4.170 -0.000 0.000 0.245 51 I C 1.989 178.103 176.117 -0.006 0.000 1.100 51 I CA 1.139 62.234 61.300 -0.341 0.000 1.374 51 I CB -0.109 37.584 38.000 -0.511 0.000 1.057 51 I HN 0.026 nan 8.210 nan 0.000 0.413 52 K N 0.084 120.372 120.400 -0.186 0.000 2.365 52 K HA 0.008 4.328 4.320 -0.000 0.000 0.197 52 K C 0.346 176.889 176.600 -0.094 0.000 1.042 52 K CA 0.274 56.431 56.287 -0.216 0.000 0.987 52 K CB -0.526 31.663 32.500 -0.519 0.000 0.779 52 K HN 0.183 nan 8.250 nan 0.000 0.484 53 D N 2.890 123.278 120.400 -0.019 0.000 2.426 53 D HA -0.035 4.605 4.640 -0.000 0.000 0.261 53 D C -1.392 174.935 176.300 0.045 0.000 1.245 53 D CA -1.368 52.639 54.000 0.012 0.000 0.917 53 D CB 1.156 41.974 40.800 0.029 0.000 1.123 53 D HN -0.024 nan 8.370 nan 0.000 0.508 54 P HA -0.205 nan 4.420 nan 0.000 0.218 54 P C 1.171 178.481 177.300 0.018 0.000 1.148 54 P CA 1.553 64.663 63.100 0.016 0.000 0.822 54 P CB 0.114 31.807 31.700 -0.012 0.000 0.784 55 K N 0.273 120.677 120.400 0.006 0.000 2.211 55 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 55 K C 1.829 178.412 176.600 -0.028 0.000 1.047 55 K CA 1.730 58.011 56.287 -0.010 0.000 0.935 55 K CB -1.573 30.920 32.500 -0.011 0.000 0.728 55 K HN 0.221 nan 8.250 nan 0.000 0.452 56 N N -0.898 117.795 118.700 -0.011 0.000 2.376 56 N HA 0.061 4.801 4.740 -0.000 0.000 0.177 56 N C 1.315 176.720 175.510 -0.174 0.000 1.024 56 N CA 1.179 54.180 53.050 -0.081 0.000 0.893 56 N CB 0.484 38.980 38.487 0.015 0.000 0.980 56 N HN 0.672 nan 8.380 nan 0.000 0.439 57 G N 0.233 109.005 108.800 -0.045 0.000 2.149 57 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.235 57 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.235 57 G C 0.359 175.227 174.900 -0.053 0.000 1.018 57 G CA 0.166 45.247 45.100 -0.032 0.000 0.728 57 G HN 0.354 nan 8.290 nan 0.000 0.508 58 Y N -1.097 119.213 120.300 0.017 0.000 2.439 58 Y HA 0.390 4.940 4.550 -0.000 0.000 0.292 58 Y C 1.345 176.932 175.900 -0.522 0.000 1.130 58 Y CA 0.942 58.948 58.100 -0.157 0.000 1.254 58 Y CB 0.132 38.499 38.460 -0.154 0.000 1.000 58 Y HN 0.334 nan 8.280 nan 0.000 0.554 59 F N -1.120 118.728 119.950 -0.171 0.000 2.546 59 F HA 0.358 4.885 4.527 0.000 0.000 0.320 59 F C 0.347 175.828 175.800 -0.531 0.000 1.076 59 F CA -1.934 55.763 58.000 -0.505 0.000 0.928 59 F CB 1.015 39.771 39.000 -0.407 0.000 1.189 59 F HN -0.384 nan 8.300 nan 0.000 0.465 60 S N 2.587 117.888 115.700 -0.665 0.000 2.549 60 S HA 0.135 4.605 4.470 -0.000 0.000 0.286 60 S C -1.722 172.775 174.600 -0.172 0.000 1.314 60 S CA -0.895 57.029 58.200 -0.460 0.000 1.062 60 S CB 0.806 63.668 63.200 -0.564 0.000 0.865 60 S HN 0.497 nan 8.310 nan 0.000 0.498 61 P HA -0.105 nan 4.420 nan 0.000 0.215 61 P C 0.563 177.829 177.300 -0.057 0.000 1.153 61 P CA 1.216 64.293 63.100 -0.040 0.000 0.853 61 P CB -0.015 31.683 31.700 -0.004 0.000 0.788 62 D N -0.395 119.958 120.400 -0.078 0.000 2.224 62 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 62 D C 1.636 177.885 176.300 -0.086 0.000 0.965 62 D CA 1.109 55.066 54.000 -0.072 0.000 0.852 62 D CB -0.013 40.735 40.800 -0.087 0.000 0.947 62 D HN 0.461 nan 8.370 nan 0.000 0.494 63 E N -1.966 118.135 120.200 -0.165 0.000 2.703 63 E HA 0.144 4.494 4.350 -0.000 0.000 0.214 63 E C 1.083 177.621 176.600 -0.103 0.000 0.944 63 E CA 0.596 56.905 56.400 -0.151 0.000 1.299 63 E CB -0.177 29.258 29.700 -0.442 0.000 1.189 63 E HN 0.043 nan 8.360 nan 0.000 0.597 64 G N 2.313 111.030 108.800 -0.139 0.000 2.176 64 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 64 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 64 G C 0.112 174.981 174.900 -0.051 0.000 1.024 64 G CA 0.485 45.526 45.100 -0.097 0.000 0.755 64 G HN 0.335 nan 8.290 nan 0.000 0.507 65 I N 2.014 122.434 120.570 -0.249 0.000 2.441 65 I HA 0.261 4.431 4.170 -0.000 0.000 0.287 65 I C -1.578 174.109 176.117 -0.716 0.000 1.049 65 I CA -2.348 58.725 61.300 -0.378 0.000 1.381 65 I CB 1.130 38.880 38.000 -0.416 0.000 1.409 65 I HN -0.096 nan 8.210 nan 0.000 0.523 66 P HA 0.022 nan 4.420 nan 0.000 0.267 66 P C -1.121 175.542 177.300 -1.062 0.000 1.209 66 P CA 0.214 62.421 63.100 -1.489 0.000 0.763 66 P CB 0.153 30.695 31.700 -1.931 0.000 0.816 67 Y N 1.011 120.852 120.300 -0.766 0.000 2.298 67 Y HA 0.094 4.644 4.550 -0.000 0.000 0.329 67 Y C 2.389 178.113 175.900 -0.293 0.000 1.293 67 Y CA 0.122 57.940 58.100 -0.470 0.000 1.388 67 Y CB 0.000 38.163 38.460 -0.495 0.000 1.309 67 Y HN 0.498 nan 8.280 nan 0.000 0.544 68 H N 0.374 119.447 119.070 0.004 0.000 2.290 68 H HA -0.065 4.491 4.556 -0.000 0.000 0.298 68 H C 0.077 175.459 175.328 0.091 0.000 1.087 68 H CA 1.511 57.592 56.048 0.055 0.000 1.291 68 H CB 0.179 29.960 29.762 0.031 0.000 1.369 68 H HN 0.507 nan 8.280 nan 0.000 0.492 69 S N -2.186 113.517 115.700 0.006 0.000 2.607 69 S HA 0.272 4.742 4.470 -0.000 0.000 0.273 69 S C 0.994 175.609 174.600 0.025 0.000 1.148 69 S CA -0.385 57.799 58.200 -0.025 0.000 0.833 69 S CB 0.691 63.822 63.200 -0.115 0.000 1.130 69 S HN 0.201 nan 8.310 nan 0.000 0.470 70 I N 0.530 121.079 120.570 -0.034 0.000 2.163 70 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 70 I C 0.618 176.713 176.117 -0.037 0.000 1.085 70 I CA 1.362 62.602 61.300 -0.101 0.000 1.347 70 I CB -0.412 37.392 38.000 -0.327 0.000 1.044 70 I HN 0.641 nan 8.210 nan 0.000 0.408 71 E N 0.706 120.922 120.200 0.028 0.000 2.366 71 E HA 0.018 4.368 4.350 -0.000 0.000 0.266 71 E C 1.219 177.708 176.600 -0.186 0.000 1.051 71 E CA 0.296 56.712 56.400 0.026 0.000 0.884 71 E CB 0.632 30.565 29.700 0.388 0.000 1.006 71 E HN 0.222 nan 8.360 nan 0.000 0.417 72 T N -0.072 114.282 114.554 -0.332 0.000 3.014 72 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 72 T C 0.677 175.254 174.700 -0.204 0.000 1.078 72 T CA -0.128 61.597 62.100 -0.625 0.000 1.135 72 T CB 0.121 68.581 68.868 -0.680 0.000 0.895 72 T HN 0.185 nan 8.240 nan 0.000 0.480 73 L N 1.784 123.112 121.223 0.174 0.000 2.259 73 L HA 0.760 5.100 4.340 -0.000 0.000 0.288 73 L C -0.890 176.165 176.870 0.309 0.000 1.051 73 L CA -2.021 53.001 54.840 0.303 0.000 0.824 73 L CB -0.178 42.011 42.059 0.216 0.000 1.206 73 L HN 0.399 nan 8.230 nan 0.000 0.429 74 I N 4.743 125.434 120.570 0.203 0.000 2.741 74 I HA 0.477 4.647 4.170 -0.000 0.000 0.288 74 I C -1.785 174.340 176.117 0.013 0.000 1.482 74 I CA -0.380 60.992 61.300 0.121 0.000 1.050 74 I CB 2.154 40.030 38.000 -0.207 0.000 1.388 74 I HN 0.251 nan 8.210 nan 0.000 0.428 75 V N 7.439 127.344 119.914 -0.014 0.000 2.524 75 V HA 0.522 4.642 4.120 -0.000 0.000 0.297 75 V C 0.032 176.020 176.094 -0.178 0.000 1.035 75 V CA -0.076 62.038 62.300 -0.311 0.000 0.867 75 V CB 1.405 32.604 31.823 -1.040 0.000 1.004 75 V HN 0.937 nan 8.190 nan 0.000 0.426 76 E N 3.874 123.957 120.200 -0.195 0.000 2.586 76 E HA 0.339 4.689 4.350 -0.000 0.000 0.225 76 E C 0.845 177.401 176.600 -0.074 0.000 1.064 76 E CA 0.658 56.996 56.400 -0.103 0.000 1.695 76 E CB 0.826 30.501 29.700 -0.041 0.000 2.917 76 E HN 0.595 nan 8.360 nan 0.000 1.096 77 A N 0.943 123.746 122.820 -0.029 0.000 1.621 77 A HA 0.366 4.686 4.320 -0.000 0.000 0.212 77 A C -2.192 175.563 177.584 0.284 0.000 1.760 77 A CA 0.204 52.332 52.037 0.151 0.000 1.251 77 A CB -0.449 18.628 19.000 0.128 0.000 1.168 77 A HN 0.207 nan 8.150 nan 0.000 0.463 78 P HA 0.301 nan 4.420 nan 0.000 0.274 78 P C -1.218 176.045 177.300 -0.062 0.000 1.237 78 P CA 0.384 63.477 63.100 -0.010 0.000 0.793 78 P CB 0.806 32.362 31.700 -0.240 0.000 0.977 79 D N -0.710 119.705 120.400 0.024 0.000 2.462 79 D HA 0.121 4.761 4.640 -0.000 0.000 0.221 79 D C -0.558 175.897 176.300 0.257 0.000 1.173 79 D CA -0.292 53.754 54.000 0.076 0.000 0.831 79 D CB -0.514 40.370 40.800 0.140 0.000 1.001 79 D HN 0.314 nan 8.370 nan 0.000 0.499 80 Y N -0.595 119.690 120.300 -0.026 0.000 2.480 80 Y HA 0.483 5.033 4.550 -0.000 0.000 0.329 80 Y C 0.959 176.774 175.900 -0.142 0.000 1.127 80 Y CA -0.913 57.094 58.100 -0.154 0.000 1.037 80 Y CB 1.787 39.990 38.460 -0.429 0.000 1.320 80 Y HN -0.157 nan 8.280 nan 0.000 0.446 81 G N 2.087 110.447 108.800 -0.732 0.000 2.448 81 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 81 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 81 G C 0.556 175.240 174.900 -0.360 0.000 1.135 81 G CA 0.496 45.346 45.100 -0.416 0.000 0.784 81 G HN 0.825 nan 8.290 nan 0.000 0.543 82 H N -0.156 118.261 119.070 -1.089 0.000 2.524 82 H HA 0.272 4.828 4.556 -0.000 0.000 0.299 82 H C 0.793 176.066 175.328 -0.092 0.000 1.074 82 H CA -0.810 54.822 56.048 -0.692 0.000 1.115 82 H CB 0.431 29.611 29.762 -0.970 0.000 1.522 82 H HN 0.242 nan 8.280 nan 0.000 0.543 83 V N -0.936 119.028 119.914 0.083 0.000 3.319 83 V HA 0.239 4.359 4.120 -0.000 0.000 0.303 83 V C 0.640 176.797 176.094 0.105 0.000 1.094 83 V CA -0.459 61.923 62.300 0.138 0.000 1.106 83 V CB 1.801 33.660 31.823 0.061 0.000 1.099 83 V HN 0.094 nan 8.190 nan 0.000 0.476 84 T N 1.100 115.677 114.554 0.039 0.000 2.932 84 T HA 0.747 5.097 4.350 -0.000 0.000 0.289 84 T C -0.233 174.475 174.700 0.013 0.000 1.039 84 T CA 0.245 62.332 62.100 -0.022 0.000 1.024 84 T CB 1.417 70.217 68.868 -0.114 0.000 1.090 84 T HN 1.396 nan 8.240 nan 0.000 0.496 85 T N -0.369 114.226 114.554 0.067 0.000 2.916 85 T HA 0.454 4.804 4.350 -0.000 0.000 0.292 85 T C 1.444 176.312 174.700 0.281 0.000 1.064 85 T CA -0.143 62.040 62.100 0.138 0.000 1.011 85 T CB 1.309 70.310 68.868 0.221 0.000 1.152 85 T HN 0.565 nan 8.240 nan 0.000 0.510 86 S N -0.231 115.643 115.700 0.291 0.000 2.406 86 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 86 S C 1.715 176.480 174.600 0.275 0.000 1.020 86 S CA 1.006 59.386 58.200 0.300 0.000 0.965 86 S CB -0.714 62.596 63.200 0.183 0.000 0.798 86 S HN 0.873 nan 8.310 nan 0.000 0.488 87 E N 2.271 122.617 120.200 0.242 0.000 2.049 87 E HA -0.232 4.118 4.350 -0.000 0.000 0.198 87 E C 2.192 179.023 176.600 0.385 0.000 1.007 87 E CA 1.355 57.897 56.400 0.237 0.000 0.809 87 E CB -0.653 29.181 29.700 0.224 0.000 0.749 87 E HN 0.608 nan 8.360 nan 0.000 0.450 88 A N 0.295 123.321 122.820 0.342 0.000 1.917 88 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 88 A C 2.036 179.779 177.584 0.264 0.000 1.182 88 A CA 1.683 53.892 52.037 0.287 0.000 0.633 88 A CB -1.112 17.824 19.000 -0.106 0.000 0.819 88 A HN 0.442 nan 8.150 nan 0.000 0.448 89 F N 1.073 121.153 119.950 0.216 0.000 2.171 89 F HA -0.212 4.315 4.527 -0.000 0.000 0.300 89 F C 3.009 178.969 175.800 0.267 0.000 1.090 89 F CA 1.752 59.894 58.000 0.237 0.000 1.293 89 F CB -0.161 38.888 39.000 0.081 0.000 1.013 89 F HN 0.386 nan 8.300 nan 0.000 0.486 90 S N -1.018 114.907 115.700 0.374 0.000 2.383 90 S HA -0.233 4.237 4.470 -0.000 0.000 0.227 90 S C 1.837 176.619 174.600 0.302 0.000 1.026 90 S CA 0.943 59.273 58.200 0.217 0.000 0.981 90 S CB -1.143 62.070 63.200 0.021 0.000 0.818 90 S HN 0.377 nan 8.310 nan 0.000 0.472 91 Y N 0.512 121.082 120.300 0.450 0.000 2.242 91 Y HA -0.045 4.505 4.550 -0.000 0.000 0.291 91 Y C 2.573 178.888 175.900 0.692 0.000 1.137 91 Y CA 1.321 59.764 58.100 0.573 0.000 1.181 91 Y CB -0.702 38.069 38.460 0.518 0.000 0.989 91 Y HN 0.360 nan 8.280 nan 0.000 0.527 92 Y N 0.137 120.886 120.300 0.747 0.000 2.145 92 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 92 Y C 2.316 178.565 175.900 0.582 0.000 1.145 92 Y CA 1.241 59.758 58.100 0.696 0.000 1.148 92 Y CB -0.928 37.845 38.460 0.522 0.000 0.981 92 Y HN -0.083 nan 8.280 nan 0.000 0.507 93 V N -0.739 119.456 119.914 0.468 0.000 2.392 93 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 93 V C 2.167 178.602 176.094 0.568 0.000 1.059 93 V CA 1.959 64.494 62.300 0.390 0.000 1.051 93 V CB -0.992 31.072 31.823 0.403 0.000 0.658 93 V HN 0.611 nan 8.190 nan 0.000 0.455 94 W N 0.209 121.736 121.300 0.379 0.000 2.381 94 W HA -0.101 4.559 4.660 -0.000 0.000 0.301 94 W C 2.209 178.995 176.519 0.445 0.000 1.205 94 W CA 1.425 58.991 57.345 0.369 0.000 1.285 94 W CB -0.749 28.858 29.460 0.243 0.000 1.133 94 W HN 0.258 nan 8.180 nan 0.000 0.521 95 L N 1.316 122.926 121.223 0.646 0.000 2.046 95 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 95 L C 2.332 179.605 176.870 0.672 0.000 1.077 95 L CA 2.192 57.384 54.840 0.586 0.000 0.747 95 L CB -0.957 41.423 42.059 0.535 0.000 0.896 95 L HN -0.188 nan 8.230 nan 0.000 0.432 96 E N -0.015 120.565 120.200 0.633 0.000 2.110 96 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 96 E C 2.219 179.132 176.600 0.521 0.000 0.988 96 E CA 1.313 58.049 56.400 0.559 0.000 0.804 96 E CB -0.555 29.402 29.700 0.429 0.000 0.745 96 E HN 0.643 nan 8.360 nan 0.000 0.458 97 A N 0.959 124.150 122.820 0.619 0.000 1.930 97 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 97 A C 2.191 180.155 177.584 0.635 0.000 1.175 97 A CA 1.814 54.310 52.037 0.765 0.000 0.627 97 A CB -0.383 19.131 19.000 0.857 0.000 0.815 97 A HN 0.210 nan 8.150 nan 0.000 0.443 98 M N -1.846 118.029 119.600 0.457 0.000 2.175 98 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 98 M C 1.877 178.000 176.300 -0.295 0.000 1.063 98 M CA 1.535 56.819 55.300 -0.026 0.000 1.119 98 M CB -0.806 31.670 32.600 -0.207 0.000 1.377 98 M HN 0.486 nan 8.290 nan 0.000 0.415 99 Y N 0.135 120.392 120.300 -0.071 0.000 2.097 99 Y HA -0.077 4.473 4.550 -0.000 0.000 0.282 99 Y C 2.153 177.770 175.900 -0.471 0.000 1.152 99 Y CA 2.189 60.170 58.100 -0.198 0.000 1.136 99 Y CB -0.980 37.285 38.460 -0.325 0.000 0.975 99 Y HN 0.289 nan 8.280 nan 0.000 0.498 100 G N -0.102 108.334 108.800 -0.605 0.000 2.422 100 G HA2 -0.378 3.581 3.960 -0.000 0.000 0.218 100 G HA3 -0.378 3.581 3.960 -0.000 0.000 0.218 100 G C 1.616 175.743 174.900 -1.287 0.000 1.146 100 G CA 0.941 45.061 45.100 -1.633 0.000 0.769 100 G HN 0.587 nan 8.290 nan 0.000 0.547 101 N N 0.191 118.508 118.700 -0.639 0.000 2.069 101 N HA -0.059 4.681 4.740 -0.000 0.000 0.191 101 N C 2.014 177.196 175.510 -0.547 0.000 1.031 101 N CA 0.811 53.589 53.050 -0.454 0.000 0.852 101 N CB -0.191 37.678 38.487 -1.029 0.000 1.018 101 N HN 0.331 nan 8.380 nan 0.000 0.423 102 L N -0.640 120.207 121.223 -0.626 0.000 2.591 102 L HA 0.072 4.412 4.340 -0.000 0.000 0.228 102 L C 1.426 178.017 176.870 -0.465 0.000 1.133 102 L CA 0.396 54.921 54.840 -0.525 0.000 0.880 102 L CB 0.358 42.098 42.059 -0.531 0.000 1.033 102 L HN 0.209 nan 8.230 nan 0.000 0.450 103 T N -1.956 112.258 114.554 -0.567 0.000 3.048 103 T HA 0.207 4.557 4.350 -0.000 0.000 0.254 103 T C 1.254 175.700 174.700 -0.423 0.000 0.942 103 T CA 0.699 62.451 62.100 -0.581 0.000 0.931 103 T CB 0.769 68.988 68.868 -1.081 0.000 1.220 103 T HN 0.368 nan 8.240 nan 0.000 0.503 104 G N 1.216 109.754 108.800 -0.436 0.000 2.205 104 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.261 104 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.261 104 G C 0.085 174.805 174.900 -0.301 0.000 0.980 104 G CA 0.522 45.482 45.100 -0.233 0.000 0.632 104 G HN 0.963 nan 8.290 nan 0.000 0.533 105 N N -0.516 117.900 118.700 -0.474 0.000 2.439 105 N HA 0.505 5.244 4.740 -0.000 0.000 0.249 105 N C 0.419 175.760 175.510 -0.281 0.000 1.003 105 N CA 0.069 52.982 53.050 -0.229 0.000 0.942 105 N CB 0.032 38.491 38.487 -0.047 0.000 1.115 105 N HN 0.462 nan 8.380 nan 0.000 0.505 106 W N 0.791 122.171 121.300 0.134 0.000 3.220 106 W HA 0.084 4.743 4.660 -0.000 0.000 0.328 106 W C 2.283 178.902 176.519 0.166 0.000 1.205 106 W CA 0.462 57.902 57.345 0.159 0.000 1.773 106 W CB 0.555 30.086 29.460 0.118 0.000 1.086 106 W HN 0.762 nan 8.180 nan 0.000 0.622 107 S N -0.407 115.478 115.700 0.308 0.000 2.399 107 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 107 S C 2.066 176.807 174.600 0.235 0.000 1.022 107 S CA 1.510 59.854 58.200 0.241 0.000 0.983 107 S CB -0.962 62.346 63.200 0.180 0.000 0.803 107 S HN 0.246 nan 8.310 nan 0.000 0.480 108 G N 1.285 110.237 108.800 0.253 0.000 2.422 108 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 108 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 108 G C 1.418 176.464 174.900 0.243 0.000 1.146 108 G CA 0.912 46.157 45.100 0.242 0.000 0.769 108 G HN 0.490 nan 8.290 nan 0.000 0.547 109 V N 0.512 120.624 119.914 0.330 0.000 2.343 109 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 109 V C 2.629 178.895 176.094 0.286 0.000 1.051 109 V CA 2.240 64.749 62.300 0.348 0.000 1.036 109 V CB -0.467 31.642 31.823 0.475 0.000 0.654 109 V HN 0.454 nan 8.190 nan 0.000 0.451 110 E N -0.318 120.035 120.200 0.255 0.000 2.077 110 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 110 E C 2.344 179.075 176.600 0.218 0.000 0.989 110 E CA 1.776 58.306 56.400 0.217 0.000 0.800 110 E CB -0.182 29.620 29.700 0.171 0.000 0.746 110 E HN 0.594 nan 8.360 nan 0.000 0.452 111 T N 0.666 115.333 114.554 0.188 0.000 2.652 111 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 111 T C 1.914 176.712 174.700 0.163 0.000 1.039 111 T CA 1.345 63.549 62.100 0.173 0.000 1.153 111 T CB -0.319 68.648 68.868 0.165 0.000 0.863 111 T HN 0.268 nan 8.240 nan 0.000 0.428 112 A N 1.250 124.083 122.820 0.023 0.000 1.892 112 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 112 A C 2.201 179.821 177.584 0.059 0.000 1.188 112 A CA 1.559 53.424 52.037 -0.286 0.000 0.631 112 A CB -1.140 17.427 19.000 -0.722 0.000 0.822 112 A HN 0.713 nan 8.150 nan 0.000 0.447 113 W N 0.713 122.030 121.300 0.029 0.000 2.363 113 W HA -0.133 4.527 4.660 -0.000 0.000 0.296 113 W C 2.183 178.743 176.519 0.069 0.000 1.212 113 W CA 2.018 59.402 57.345 0.065 0.000 1.260 113 W CB -0.227 29.280 29.460 0.078 0.000 1.131 113 W HN 0.445 nan 8.180 nan 0.000 0.530 114 K N 0.172 120.743 120.400 0.286 0.000 2.097 114 K HA -0.180 4.139 4.320 -0.000 0.000 0.206 114 K C 1.742 178.426 176.600 0.139 0.000 1.049 114 K CA 1.741 58.147 56.287 0.198 0.000 0.933 114 K CB -0.289 32.318 32.500 0.178 0.000 0.717 114 K HN -0.040 nan 8.250 nan 0.000 0.442 115 V N 1.704 121.748 119.914 0.215 0.000 2.515 115 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 115 V C 2.310 178.516 176.094 0.188 0.000 1.058 115 V CA 1.751 64.268 62.300 0.361 0.000 1.064 115 V CB -0.389 31.758 31.823 0.541 0.000 0.675 115 V HN 0.487 nan 8.190 nan 0.000 0.461 116 M N 0.031 119.531 119.600 -0.166 0.000 2.132 116 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 116 M C 2.153 178.147 176.300 -0.510 0.000 1.065 116 M CA 2.036 56.876 55.300 -0.767 0.000 1.122 116 M CB -0.141 31.933 32.600 -0.875 0.000 1.365 116 M HN 0.356 nan 8.290 nan 0.000 0.411 117 E N -0.103 119.911 120.200 -0.309 0.000 2.208 117 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 117 E C 1.015 177.508 176.600 -0.179 0.000 0.988 117 E CA 1.202 57.494 56.400 -0.181 0.000 0.828 117 E CB 0.173 29.902 29.700 0.049 0.000 0.763 117 E HN 0.531 nan 8.360 nan 0.000 0.478 118 D N -1.384 118.889 120.400 -0.211 0.000 2.249 118 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 118 D C 0.793 176.646 176.300 -0.745 0.000 0.962 118 D CA 0.779 54.493 54.000 -0.477 0.000 0.860 118 D CB 0.078 40.564 40.800 -0.523 0.000 0.955 118 D HN 0.312 nan 8.370 nan 0.000 0.505 119 W N -0.365 120.855 121.300 -0.133 0.000 3.517 119 W HA 0.387 5.047 4.660 -0.000 0.000 0.234 119 W C 1.726 178.165 176.519 -0.134 0.000 0.972 119 W CA -0.384 56.875 57.345 -0.143 0.000 2.002 119 W CB -0.009 29.413 29.460 -0.063 0.000 1.018 119 W HN -0.306 nan 8.180 nan 0.000 0.712 120 I N 0.962 121.527 120.570 -0.009 0.000 3.812 120 I HA 0.202 4.372 4.170 -0.000 0.000 0.320 120 I C -0.276 175.855 176.117 0.024 0.000 1.276 120 I CA 0.487 61.836 61.300 0.082 0.000 1.164 120 I CB 0.111 38.040 38.000 -0.119 0.000 1.009 120 I HN -0.202 nan 8.210 nan 0.000 0.431 121 I N 2.668 123.174 120.570 -0.106 0.000 2.390 121 I HA 0.297 4.467 4.170 -0.000 0.000 0.283 121 I C -2.276 173.735 176.117 -0.177 0.000 1.016 121 I CA -2.060 59.100 61.300 -0.233 0.000 1.151 121 I CB 1.072 38.815 38.000 -0.429 0.000 1.293 121 I HN -0.129 nan 8.210 nan 0.000 0.458 122 P HA -0.037 nan 4.420 nan 0.000 0.261 122 P C -0.914 176.266 177.300 -0.200 0.000 1.183 122 P CA 0.062 62.928 63.100 -0.389 0.000 0.761 122 P CB 0.238 31.384 31.700 -0.924 0.000 0.785 123 D N 0.452 120.773 120.400 -0.132 0.000 2.478 123 D HA 0.095 4.735 4.640 -0.000 0.000 0.269 123 D C 0.905 177.139 176.300 -0.110 0.000 1.232 123 D CA -0.572 53.367 54.000 -0.101 0.000 1.059 123 D CB -0.135 40.607 40.800 -0.095 0.000 1.104 123 D HN 0.168 nan 8.370 nan 0.000 0.566 124 S N -1.269 114.384 115.700 -0.079 0.000 2.400 124 S HA -0.234 4.236 4.470 -0.000 0.000 0.232 124 S C 1.856 176.387 174.600 -0.116 0.000 1.025 124 S CA 1.578 59.732 58.200 -0.077 0.000 0.993 124 S CB -1.326 61.850 63.200 -0.039 0.000 0.808 124 S HN 0.794 nan 8.310 nan 0.000 0.478 125 T N -0.464 114.022 114.554 -0.114 0.000 3.113 125 T HA 0.191 4.541 4.350 -0.000 0.000 0.256 125 T C 1.150 175.740 174.700 -0.183 0.000 1.131 125 T CA 0.361 62.387 62.100 -0.124 0.000 1.074 125 T CB -0.225 68.593 68.868 -0.084 0.000 0.944 125 T HN 0.510 nan 8.240 nan 0.000 0.516 126 E N 0.675 120.746 120.200 -0.216 0.000 2.481 126 E HA 0.130 4.480 4.350 -0.000 0.000 0.198 126 E C 0.654 176.889 176.600 -0.608 0.000 1.027 126 E CA 0.078 56.328 56.400 -0.250 0.000 0.900 126 E CB 0.337 29.989 29.700 -0.081 0.000 0.993 126 E HN 0.608 nan 8.360 nan 0.000 0.482 127 Q N 1.400 120.781 119.800 -0.699 0.000 2.470 127 Q HA 0.180 4.520 4.340 -0.000 0.000 0.389 127 Q C -2.506 173.077 176.000 -0.695 0.000 0.888 127 Q CA -1.610 53.468 55.803 -1.207 0.000 1.106 127 Q CB 0.990 29.457 28.738 -0.451 0.000 1.368 127 Q HN 0.058 nan 8.270 nan 0.000 0.403 128 P HA 0.037 nan 4.420 nan 0.000 0.271 128 P C 0.810 178.210 177.300 0.166 0.000 1.226 128 P CA 1.000 64.032 63.100 -0.114 0.000 0.765 128 P CB 1.098 32.734 31.700 -0.107 0.000 0.835 129 G N 3.447 112.331 108.800 0.141 0.000 2.175 129 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.244 129 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.244 129 G C 0.727 175.781 174.900 0.257 0.000 0.982 129 G CA 0.302 45.504 45.100 0.170 0.000 0.641 129 G HN 0.474 nan 8.290 nan 0.000 0.527 130 M N 2.253 122.053 119.600 0.332 0.000 2.435 130 M HA 0.011 4.491 4.480 -0.000 0.000 0.262 130 M C 2.511 178.992 176.300 0.302 0.000 1.065 130 M CA 2.328 57.846 55.300 0.364 0.000 1.076 130 M CB -0.561 32.258 32.600 0.366 0.000 1.403 130 M HN 0.681 nan 8.290 nan 0.000 0.454 131 S N -1.864 113.977 115.700 0.234 0.000 2.400 131 S HA -0.107 4.363 4.470 -0.000 0.000 0.232 131 S C 1.820 176.546 174.600 0.210 0.000 1.025 131 S CA 1.576 59.899 58.200 0.205 0.000 0.993 131 S CB -0.764 62.521 63.200 0.141 0.000 0.808 131 S HN 0.529 nan 8.310 nan 0.000 0.478 132 S N 0.307 116.136 115.700 0.215 0.000 2.605 132 S HA 0.233 4.703 4.470 -0.000 0.000 0.217 132 S C 0.119 174.849 174.600 0.216 0.000 0.958 132 S CA -0.560 57.757 58.200 0.194 0.000 0.919 132 S CB -0.401 62.916 63.200 0.196 0.000 0.780 132 S HN 0.612 nan 8.310 nan 0.000 0.507 133 Y N 4.026 124.387 120.300 0.102 0.000 2.721 133 Y HA 0.135 4.684 4.550 -0.000 0.000 0.329 133 Y C 0.156 176.038 175.900 -0.030 0.000 1.211 133 Y CA -0.642 57.467 58.100 0.016 0.000 1.512 133 Y CB -0.000 38.375 38.460 -0.141 0.000 1.249 133 Y HN 0.019 nan 8.280 nan 0.000 0.549 134 N N 8.357 126.686 118.700 -0.618 0.000 2.501 134 N HA 0.339 5.079 4.740 -0.000 0.000 0.245 134 N C -2.362 172.599 175.510 -0.915 0.000 0.974 134 N CA -2.628 50.085 53.050 -0.562 0.000 0.941 134 N CB 1.614 39.956 38.487 -0.242 0.000 1.122 134 N HN 0.301 nan 8.380 nan 0.000 0.507 135 P HA -0.111 nan 4.420 nan 0.000 0.219 135 P C 0.761 177.814 177.300 -0.412 0.000 1.146 135 P CA 0.963 63.712 63.100 -0.585 0.000 0.808 135 P CB 0.180 31.724 31.700 -0.261 0.000 0.779 136 N N -0.921 117.599 118.700 -0.300 0.000 2.515 136 N HA -0.046 4.694 4.740 -0.000 0.000 0.185 136 N C -0.152 175.251 175.510 -0.179 0.000 1.109 136 N CA 0.492 53.417 53.050 -0.209 0.000 0.903 136 N CB 0.131 38.534 38.487 -0.140 0.000 0.969 136 N HN -0.092 nan 8.380 nan 0.000 0.450 137 S N 0.202 115.776 115.700 -0.211 0.000 2.564 137 S HA 0.349 4.819 4.470 -0.000 0.000 0.141 137 S C -2.363 172.185 174.600 -0.087 0.000 1.474 137 S CA -0.979 57.157 58.200 -0.107 0.000 1.236 137 S CB 1.034 64.199 63.200 -0.058 0.000 1.481 137 S HN 0.038 nan 8.310 nan 0.000 0.397 138 P HA 0.249 nan 4.420 nan 0.000 0.219 138 P C 0.367 177.927 177.300 0.434 0.000 1.150 138 P CA 0.872 64.065 63.100 0.154 0.000 0.814 138 P CB 0.260 32.100 31.700 0.233 0.000 0.787 139 A N -2.821 120.217 122.820 0.364 0.000 2.511 139 A HA 0.595 4.915 4.320 -0.000 0.000 0.293 139 A C -1.233 176.453 177.584 0.170 0.000 1.098 139 A CA -0.417 51.836 52.037 0.360 0.000 0.643 139 A CB 0.349 19.660 19.000 0.518 0.000 1.302 139 A HN -0.196 nan 8.150 nan 0.000 0.446 140 T N 1.111 115.658 114.554 -0.011 0.000 2.758 140 T HA 0.489 4.838 4.350 -0.000 0.000 0.285 140 T C -0.523 173.937 174.700 -0.401 0.000 0.981 140 T CA 0.068 62.019 62.100 -0.248 0.000 0.965 140 T CB 0.446 68.995 68.868 -0.533 0.000 0.927 140 T HN 0.578 nan 8.240 nan 0.000 0.448 141 Y N 3.077 122.975 120.300 -0.669 0.000 2.702 141 Y HA 0.346 4.895 4.550 -0.000 0.000 0.336 141 Y C 0.066 175.623 175.900 -0.572 0.000 1.235 141 Y CA -0.109 57.380 58.100 -1.020 0.000 1.492 141 Y CB 0.118 38.164 38.460 -0.691 0.000 1.308 141 Y HN 0.781 nan 8.280 nan 0.000 0.589 142 A N 4.878 126.841 122.820 -1.428 0.000 2.556 142 A HA 0.447 4.767 4.320 -0.000 0.000 0.294 142 A C -1.327 175.496 177.584 -1.270 0.000 1.091 142 A CA -1.022 50.378 52.037 -1.061 0.000 0.704 142 A CB 0.999 19.729 19.000 -0.450 0.000 1.300 142 A HN 0.674 nan 8.150 nan 0.000 0.406 143 D N 1.424 121.370 120.400 -0.757 0.000 2.372 143 D HA 0.355 4.994 4.640 -0.000 0.000 0.243 143 D C -0.044 175.826 176.300 -0.717 0.000 1.121 143 D CA 0.515 54.130 54.000 -0.642 0.000 0.898 143 D CB 0.830 41.144 40.800 -0.811 0.000 1.202 143 D HN 0.510 nan 8.370 nan 0.000 0.428 144 E N 0.876 120.744 120.200 -0.553 0.000 2.214 144 E HA 0.428 4.778 4.350 -0.000 0.000 0.274 144 E C -0.694 175.539 176.600 -0.612 0.000 0.977 144 E CA -0.623 55.549 56.400 -0.380 0.000 0.827 144 E CB 1.420 31.058 29.700 -0.103 0.000 1.130 144 E HN 0.382 nan 8.360 nan 0.000 0.394 145 Y N 0.047 120.305 120.300 -0.070 0.000 2.602 145 Y HA 0.156 4.706 4.550 -0.000 0.000 0.342 145 Y C 0.794 176.644 175.900 -0.083 0.000 1.029 145 Y CA -0.828 57.135 58.100 -0.228 0.000 1.080 145 Y CB 1.559 39.745 38.460 -0.455 0.000 1.284 145 Y HN 0.473 nan 8.280 nan 0.000 0.485 146 E N 0.262 120.434 120.200 -0.047 0.000 2.482 146 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 146 E C -0.640 176.041 176.600 0.135 0.000 1.047 146 E CA 0.657 57.050 56.400 -0.011 0.000 0.869 146 E CB 0.420 30.078 29.700 -0.069 0.000 0.836 146 E HN 0.360 nan 8.360 nan 0.000 0.520 147 D N -1.901 118.685 120.400 0.309 0.000 2.803 147 D HA 0.076 4.716 4.640 -0.000 0.000 0.218 147 D C -2.345 174.199 176.300 0.407 0.000 1.245 147 D CA -1.908 52.294 54.000 0.338 0.000 0.821 147 D CB 1.884 42.885 40.800 0.335 0.000 1.626 147 D HN -0.308 nan 8.370 nan 0.000 0.487 148 P HA -0.104 nan 4.420 nan 0.000 0.221 148 P C 1.286 178.565 177.300 -0.034 0.000 1.145 148 P CA 1.002 64.226 63.100 0.206 0.000 0.795 148 P CB 0.093 31.878 31.700 0.141 0.000 0.775 149 S N -2.567 112.864 115.700 -0.449 0.000 2.547 149 S HA -0.139 4.331 4.470 -0.000 0.000 0.235 149 S C 1.510 175.717 174.600 -0.655 0.000 0.980 149 S CA 0.585 58.059 58.200 -1.210 0.000 0.941 149 S CB -1.451 61.162 63.200 -0.978 0.000 0.763 149 S HN 0.171 nan 8.310 nan 0.000 0.532 150 Y N 0.176 120.323 120.300 -0.255 0.000 2.546 150 Y HA 0.328 4.878 4.550 -0.000 0.000 0.287 150 Y C 0.388 176.114 175.900 -0.290 0.000 1.158 150 Y CA -0.360 57.514 58.100 -0.376 0.000 1.307 150 Y CB -0.159 37.915 38.460 -0.643 0.000 1.036 150 Y HN 0.249 nan 8.280 nan 0.000 0.532 151 Y N 1.510 121.863 120.300 0.088 0.000 2.376 151 Y HA 0.319 4.869 4.550 -0.000 0.000 0.325 151 Y C -1.966 174.030 175.900 0.160 0.000 1.199 151 Y CA -3.361 54.852 58.100 0.189 0.000 1.206 151 Y CB 0.255 38.867 38.460 0.253 0.000 1.229 151 Y HN -0.172 nan 8.280 nan 0.000 0.480 152 P HA 0.048 nan 4.420 nan 0.000 0.275 152 P C -0.659 176.762 177.300 0.202 0.000 1.228 152 P CA -0.330 62.946 63.100 0.293 0.000 0.786 152 P CB 1.474 33.286 31.700 0.188 0.000 0.927 153 S N 1.183 117.010 115.700 0.213 0.000 2.525 153 S HA 0.150 4.620 4.470 -0.000 0.000 0.278 153 S C -0.121 174.526 174.600 0.078 0.000 1.234 153 S CA -0.618 57.654 58.200 0.119 0.000 1.058 153 S CB 0.147 63.330 63.200 -0.029 0.000 0.983 153 S HN 0.481 nan 8.310 nan 0.000 0.495 154 E N 4.437 124.673 120.200 0.060 0.000 2.259 154 E HA 0.251 4.601 4.350 -0.000 0.000 0.281 154 E C -0.575 175.972 176.600 -0.088 0.000 1.037 154 E CA -0.460 55.951 56.400 0.019 0.000 0.854 154 E CB 0.508 30.238 29.700 0.049 0.000 1.051 154 E HN 0.654 nan 8.360 nan 0.000 0.409 155 L N 4.761 125.889 121.223 -0.158 0.000 2.455 155 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 155 L C 0.196 176.860 176.870 -0.345 0.000 1.174 155 L CA 0.488 55.097 54.840 -0.385 0.000 0.869 155 L CB 0.339 42.007 42.059 -0.652 0.000 1.130 155 L HN 0.478 nan 8.230 nan 0.000 0.474 156 K N 3.752 123.954 120.400 -0.330 0.000 2.423 156 K HA 0.230 4.550 4.320 -0.000 0.000 0.234 156 K C 0.250 176.745 176.600 -0.174 0.000 1.051 156 K CA -0.186 56.018 56.287 -0.139 0.000 1.021 156 K CB 0.554 33.065 32.500 0.017 0.000 1.474 156 K HN 0.337 nan 8.250 nan 0.000 0.474 157 F N 0.732 120.652 119.950 -0.050 0.000 2.146 157 F HA -0.212 4.315 4.527 0.000 0.000 0.298 157 F C 2.455 178.224 175.800 -0.052 0.000 1.096 157 F CA 2.107 60.069 58.000 -0.063 0.000 1.275 157 F CB 0.062 39.015 39.000 -0.079 0.000 1.008 157 F HN 0.654 nan 8.300 nan 0.000 0.480 158 D N -2.239 118.253 120.400 0.153 0.000 2.324 158 D HA -0.021 4.619 4.640 -0.000 0.000 0.212 158 D C 1.944 178.257 176.300 0.023 0.000 0.984 158 D CA 1.102 55.146 54.000 0.072 0.000 0.885 158 D CB -0.806 40.026 40.800 0.054 0.000 0.996 158 D HN 0.163 nan 8.370 nan 0.000 0.505 159 T N -0.586 113.975 114.554 0.013 0.000 3.100 159 T HA 0.322 4.672 4.350 -0.000 0.000 0.253 159 T C -0.002 174.662 174.700 -0.059 0.000 1.118 159 T CA 0.435 62.525 62.100 -0.017 0.000 1.058 159 T CB 0.006 68.872 68.868 -0.004 0.000 0.953 159 T HN 0.181 nan 8.240 nan 0.000 0.515 160 V N 1.826 121.696 119.914 -0.073 0.000 2.482 160 V HA 0.640 4.760 4.120 -0.000 0.000 0.295 160 V C 0.276 176.298 176.094 -0.120 0.000 1.026 160 V CA -1.301 60.913 62.300 -0.143 0.000 0.856 160 V CB 1.359 33.035 31.823 -0.245 0.000 1.001 160 V HN 0.323 nan 8.190 nan 0.000 0.424 161 R N 2.999 123.428 120.500 -0.118 0.000 2.490 161 R HA 0.824 5.164 4.340 -0.000 0.000 0.278 161 R C -0.689 175.553 176.300 -0.096 0.000 1.069 161 R CA -0.179 55.868 56.100 -0.087 0.000 1.080 161 R CB 1.290 31.547 30.300 -0.071 0.000 1.030 161 R HN 0.578 nan 8.270 nan 0.000 0.491 162 V N 1.193 121.082 119.914 -0.043 0.000 2.914 162 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 162 V C 1.076 177.193 176.094 0.038 0.000 1.084 162 V CA -0.241 62.073 62.300 0.023 0.000 0.963 162 V CB 2.367 34.238 31.823 0.079 0.000 1.025 162 V HN 1.217 nan 8.190 nan 0.000 0.432 163 G N 2.077 110.944 108.800 0.112 0.000 2.553 163 G HA2 0.436 4.396 3.960 -0.000 0.000 0.278 163 G HA3 0.436 4.396 3.960 -0.000 0.000 0.278 163 G C -0.122 174.733 174.900 -0.075 0.000 1.349 163 G CA -0.199 44.940 45.100 0.066 0.000 1.037 163 G HN 0.683 nan 8.290 nan 0.000 0.508 164 S N -0.788 114.802 115.700 -0.183 0.000 2.638 164 S HA 0.411 4.881 4.470 -0.000 0.000 0.298 164 S C -0.840 173.324 174.600 -0.726 0.000 1.111 164 S CA -0.430 57.539 58.200 -0.385 0.000 1.027 164 S CB 1.717 64.773 63.200 -0.241 0.000 1.064 164 S HN 0.645 nan 8.310 nan 0.000 0.525 165 D N 1.640 121.529 120.400 -0.851 0.000 2.427 165 D HA 0.356 4.996 4.640 -0.000 0.000 0.226 165 D C -1.956 174.025 176.300 -0.531 0.000 1.076 165 D CA -2.167 51.229 54.000 -1.007 0.000 0.849 165 D CB 1.386 41.638 40.800 -0.912 0.000 1.052 165 D HN 0.109 nan 8.370 nan 0.000 0.515 166 P HA 0.069 nan 4.420 nan 0.000 0.257 166 P C 0.686 177.807 177.300 -0.299 0.000 1.281 166 P CA -0.001 62.853 63.100 -0.411 0.000 0.826 166 P CB 0.900 32.235 31.700 -0.608 0.000 1.237 167 V N -1.699 118.044 119.914 -0.285 0.000 3.539 167 V HA 0.006 4.126 4.120 -0.000 0.000 0.262 167 V C 2.302 178.374 176.094 -0.038 0.000 1.381 167 V CA 0.508 62.734 62.300 -0.123 0.000 1.060 167 V CB -0.401 31.352 31.823 -0.116 0.000 0.842 167 V HN 0.076 nan 8.190 nan 0.000 0.445 168 H N 1.337 120.355 119.070 -0.087 0.000 2.290 168 H HA -0.139 4.417 4.556 -0.000 0.000 0.298 168 H C 2.172 177.513 175.328 0.022 0.000 1.087 168 H CA 2.533 58.587 56.048 0.010 0.000 1.291 168 H CB 0.165 30.030 29.762 0.171 0.000 1.369 168 H HN 0.327 nan 8.280 nan 0.000 0.492 169 N N 0.255 118.996 118.700 0.067 0.000 2.244 169 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 169 N C 1.561 177.033 175.510 -0.062 0.000 1.016 169 N CA 1.341 54.391 53.050 0.001 0.000 0.866 169 N CB -0.462 38.053 38.487 0.047 0.000 0.980 169 N HN 0.523 nan 8.380 nan 0.000 0.430 170 D N 0.739 121.106 120.400 -0.055 0.000 2.104 170 D HA -0.068 4.572 4.640 -0.000 0.000 0.194 170 D C 2.101 178.324 176.300 -0.129 0.000 0.994 170 D CA 0.786 54.746 54.000 -0.067 0.000 0.830 170 D CB -0.058 40.731 40.800 -0.017 0.000 0.959 170 D HN 0.145 nan 8.370 nan 0.000 0.452 171 L N -0.531 120.597 121.223 -0.159 0.000 2.027 171 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 171 L C 2.608 179.396 176.870 -0.137 0.000 1.074 171 L CA 0.528 55.248 54.840 -0.201 0.000 0.745 171 L CB -0.387 41.457 42.059 -0.358 0.000 0.898 171 L HN 0.022 nan 8.230 nan 0.000 0.433 172 V N -0.984 118.814 119.914 -0.193 0.000 2.332 172 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 172 V C 2.688 178.731 176.094 -0.084 0.000 1.055 172 V CA 2.100 64.330 62.300 -0.117 0.000 1.038 172 V CB -0.412 31.323 31.823 -0.147 0.000 0.651 172 V HN 0.461 nan 8.190 nan 0.000 0.450 173 S N -0.748 114.881 115.700 -0.119 0.000 2.419 173 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 173 S C 1.836 176.322 174.600 -0.189 0.000 1.019 173 S CA 1.567 59.695 58.200 -0.120 0.000 0.982 173 S CB -0.148 62.989 63.200 -0.106 0.000 0.789 173 S HN 0.653 nan 8.310 nan 0.000 0.490 174 A N -1.254 121.365 122.820 -0.334 0.000 2.140 174 A HA 0.399 4.719 4.320 -0.000 0.000 0.209 174 A C 0.976 178.212 177.584 -0.581 0.000 1.181 174 A CA 0.174 51.856 52.037 -0.592 0.000 0.824 174 A CB 0.018 18.406 19.000 -1.020 0.000 0.879 174 A HN 0.616 nan 8.150 nan 0.000 0.480 175 Y N -1.273 119.017 120.300 -0.016 0.000 2.666 175 Y HA 0.445 4.995 4.550 -0.000 0.000 0.260 175 Y C 1.282 177.218 175.900 0.061 0.000 1.089 175 Y CA -0.362 57.767 58.100 0.047 0.000 1.246 175 Y CB 0.171 38.741 38.460 0.183 0.000 1.353 175 Y HN 0.494 nan 8.280 nan 0.000 0.558 176 G N 1.805 110.692 108.800 0.144 0.000 2.681 176 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 176 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 176 G C -1.967 173.011 174.900 0.131 0.000 1.353 176 G CA -0.291 44.874 45.100 0.109 0.000 0.872 176 G HN 0.023 nan 8.290 nan 0.000 0.557 177 P HA 0.069 nan 4.420 nan 0.000 0.231 177 P C 0.394 177.789 177.300 0.158 0.000 1.168 177 P CA 0.620 63.809 63.100 0.148 0.000 0.779 177 P CB 0.039 31.832 31.700 0.154 0.000 0.844 178 N N 0.447 119.214 118.700 0.113 0.000 2.515 178 N HA 0.200 4.940 4.740 -0.000 0.000 0.279 178 N C 0.144 175.588 175.510 -0.111 0.000 1.164 178 N CA -0.443 52.630 53.050 0.038 0.000 0.982 178 N CB 0.390 38.880 38.487 0.006 0.000 1.170 178 N HN -0.077 nan 8.380 nan 0.000 0.474 179 M N 1.752 121.191 119.600 -0.269 0.000 2.219 179 M HA 0.050 4.530 4.480 -0.000 0.000 0.353 179 M C -0.922 174.885 176.300 -0.822 0.000 1.304 179 M CA 0.009 54.880 55.300 -0.716 0.000 1.115 179 M CB -0.111 31.859 32.600 -1.049 0.000 1.664 179 M HN 0.424 nan 8.290 nan 0.000 0.459 180 Y N 6.351 125.635 120.300 -1.692 0.000 2.960 180 Y HA 0.635 5.185 4.550 -0.000 0.000 0.343 180 Y C -1.693 173.874 175.900 -0.555 0.000 1.106 180 Y CA -0.429 57.084 58.100 -0.977 0.000 1.221 180 Y CB 0.246 38.158 38.460 -0.914 0.000 1.232 180 Y HN 0.626 nan 8.280 nan 0.000 0.577 181 L N 3.614 124.541 121.223 -0.493 0.000 2.469 181 L HA 0.515 4.855 4.340 -0.000 0.000 0.256 181 L C -0.803 175.983 176.870 -0.140 0.000 1.006 181 L CA -1.226 53.469 54.840 -0.241 0.000 0.832 181 L CB 2.653 44.631 42.059 -0.134 0.000 1.421 181 L HN 0.301 nan 8.230 nan 0.000 0.410 182 M N 1.189 120.747 119.600 -0.071 0.000 2.120 182 M HA 0.257 4.737 4.480 -0.000 0.000 0.354 182 M C -0.291 176.091 176.300 0.136 0.000 1.287 182 M CA -0.496 54.781 55.300 -0.039 0.000 1.103 182 M CB 0.829 33.380 32.600 -0.081 0.000 1.623 182 M HN 0.435 nan 8.290 nan 0.000 0.471 183 H N 3.724 122.801 119.070 0.011 0.000 2.836 183 H HA -0.072 4.484 4.556 -0.000 0.000 0.368 183 H C 0.503 175.957 175.328 0.210 0.000 1.164 183 H CA 0.708 56.791 56.048 0.058 0.000 1.425 183 H CB 0.661 30.282 29.762 -0.235 0.000 1.414 183 H HN 0.752 nan 8.280 nan 0.000 0.614 184 W N 4.547 125.471 121.300 -0.626 0.000 2.812 184 W HA 0.183 4.843 4.660 -0.000 0.000 0.263 184 W C -1.240 175.235 176.519 -0.073 0.000 1.284 184 W CA -0.172 57.032 57.345 -0.236 0.000 1.430 184 W CB 0.060 29.404 29.460 -0.192 0.000 1.088 184 W HN 0.342 nan 8.180 nan 0.000 0.623 185 L N 2.145 122.871 121.223 -0.829 0.000 2.439 185 L HA 0.530 4.870 4.340 -0.000 0.000 0.270 185 L C -0.922 175.916 176.870 -0.055 0.000 0.972 185 L CA -1.010 53.362 54.840 -0.780 0.000 0.836 185 L CB 2.015 43.076 42.059 -1.664 0.000 1.255 185 L HN 0.025 nan 8.230 nan 0.000 0.404 186 M N 3.631 123.235 119.600 0.007 0.000 2.327 186 M HA 0.422 4.902 4.480 -0.000 0.000 0.298 186 M C -1.435 174.906 176.300 0.069 0.000 1.065 186 M CA -0.544 54.815 55.300 0.098 0.000 0.916 186 M CB 1.785 34.452 32.600 0.113 0.000 1.630 186 M HN 0.614 nan 8.290 nan 0.000 0.442 187 D N 4.260 124.724 120.400 0.107 0.000 2.470 187 D HA 0.169 4.809 4.640 -0.000 0.000 0.226 187 D C 0.850 177.225 176.300 0.125 0.000 1.196 187 D CA -0.041 54.070 54.000 0.184 0.000 0.979 187 D CB 0.707 41.662 40.800 0.259 0.000 1.059 187 D HN 0.504 nan 8.370 nan 0.000 0.515 188 V N 2.979 122.966 119.914 0.123 0.000 2.332 188 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 188 V C 1.186 177.299 176.094 0.031 0.000 1.055 188 V CA 1.622 63.939 62.300 0.028 0.000 1.038 188 V CB -0.113 31.739 31.823 0.048 0.000 0.651 188 V HN 0.551 nan 8.190 nan 0.000 0.450 189 D N -0.554 119.929 120.400 0.139 0.000 2.559 189 D HA 0.136 4.776 4.640 -0.000 0.000 0.234 189 D C 0.422 176.787 176.300 0.108 0.000 1.226 189 D CA -0.088 53.978 54.000 0.110 0.000 0.830 189 D CB -0.105 40.786 40.800 0.151 0.000 1.028 189 D HN 0.400 nan 8.370 nan 0.000 0.492 190 N N 0.243 119.008 118.700 0.108 0.000 2.727 190 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 190 N C 0.537 176.057 175.510 0.016 0.000 1.048 190 N CA 0.241 53.334 53.050 0.071 0.000 0.714 190 N CB -1.458 37.050 38.487 0.036 0.000 0.959 190 N HN 0.454 nan 8.380 nan 0.000 0.544 191 W N -0.056 121.141 121.300 -0.172 0.000 2.342 191 W HA -0.127 4.533 4.660 -0.000 0.000 0.297 191 W C 1.494 177.663 176.519 -0.583 0.000 1.213 191 W CA 1.665 58.760 57.345 -0.416 0.000 1.251 191 W CB -0.581 28.466 29.460 -0.689 0.000 1.136 191 W HN 0.449 nan 8.180 nan 0.000 0.526 192 Y N -0.119 119.937 120.300 -0.407 0.000 2.439 192 Y HA 0.103 4.653 4.550 -0.000 0.000 0.292 192 Y C 2.379 177.708 175.900 -0.952 0.000 1.130 192 Y CA 1.672 59.313 58.100 -0.765 0.000 1.254 192 Y CB -0.558 37.540 38.460 -0.605 0.000 1.000 192 Y HN 0.119 nan 8.280 nan 0.000 0.554 193 G N -1.656 106.831 108.800 -0.522 0.000 2.157 193 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.239 193 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.239 193 G C 0.730 175.342 174.900 -0.480 0.000 0.982 193 G CA 0.306 45.113 45.100 -0.488 0.000 0.650 193 G HN 0.326 nan 8.290 nan 0.000 0.527 194 F N 1.358 121.221 119.950 -0.144 0.000 2.259 194 F HA 0.275 4.802 4.527 -0.000 0.000 0.298 194 F C 2.350 178.245 175.800 0.159 0.000 1.088 194 F CA 0.961 58.942 58.000 -0.032 0.000 1.358 194 F CB -0.638 38.389 39.000 0.045 0.000 1.040 194 F HN 0.366 nan 8.300 nan 0.000 0.505 195 G N -0.813 108.135 108.800 0.247 0.000 2.563 195 G HA2 0.335 4.295 3.960 -0.000 0.000 0.283 195 G HA3 0.335 4.295 3.960 -0.000 0.000 0.283 195 G C -0.429 174.567 174.900 0.159 0.000 1.309 195 G CA -0.403 44.818 45.100 0.202 0.000 1.022 195 G HN -0.031 nan 8.290 nan 0.000 0.501 196 T N -0.210 114.422 114.554 0.129 0.000 2.897 196 T HA 0.456 4.806 4.350 -0.000 0.000 0.294 196 T C 1.479 176.220 174.700 0.067 0.000 1.004 196 T CA 1.072 63.232 62.100 0.100 0.000 1.106 196 T CB 0.748 69.670 68.868 0.090 0.000 0.949 196 T HN 1.381 nan 8.240 nan 0.000 0.520 197 G N 3.324 112.154 108.800 0.049 0.000 2.723 197 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.356 197 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.356 197 G C 0.997 175.910 174.900 0.021 0.000 1.164 197 G CA 1.262 46.379 45.100 0.029 0.000 0.939 197 G HN 0.755 nan 8.290 nan 0.000 0.570 198 T N 1.805 116.376 114.554 0.028 0.000 3.200 198 T HA 0.348 4.698 4.350 -0.000 0.000 0.284 198 T C 0.682 175.395 174.700 0.022 0.000 1.009 198 T CA -0.016 62.098 62.100 0.024 0.000 0.907 198 T CB -0.088 68.793 68.868 0.021 0.000 1.120 198 T HN 0.466 nan 8.240 nan 0.000 0.534 199 R N 1.633 122.155 120.500 0.037 0.000 2.340 199 R HA 0.610 4.950 4.340 -0.000 0.000 0.300 199 R C 0.358 176.670 176.300 0.019 0.000 1.069 199 R CA -0.403 55.721 56.100 0.041 0.000 0.984 199 R CB 0.783 31.133 30.300 0.083 0.000 1.003 199 R HN 0.264 nan 8.270 nan 0.000 0.459 200 A N 2.978 125.768 122.820 -0.050 0.000 2.573 200 A HA 0.022 4.342 4.320 -0.000 0.000 0.250 200 A C -0.103 177.449 177.584 -0.054 0.000 1.049 200 A CA 0.625 52.605 52.037 -0.096 0.000 0.767 200 A CB -0.071 18.762 19.000 -0.279 0.000 0.965 200 A HN 0.633 nan 8.150 nan 0.000 0.514 201 T N 3.553 118.085 114.554 -0.037 0.000 2.841 201 T HA 0.458 4.808 4.350 -0.000 0.000 0.285 201 T C -0.339 174.371 174.700 0.017 0.000 0.991 201 T CA -0.130 61.973 62.100 0.005 0.000 0.966 201 T CB 0.422 69.366 68.868 0.127 0.000 0.962 201 T HN 0.382 nan 8.240 nan 0.000 0.438 202 F N 4.413 124.410 119.950 0.078 0.000 2.543 202 F HA 0.384 4.911 4.527 -0.000 0.000 0.375 202 F C 0.911 176.689 175.800 -0.036 0.000 1.075 202 F CA -0.482 57.522 58.000 0.008 0.000 1.225 202 F CB 0.246 39.208 39.000 -0.062 0.000 1.099 202 F HN 0.448 nan 8.300 nan 0.000 0.561 203 I N 0.408 121.079 120.570 0.168 0.000 3.239 203 I HA 0.707 4.877 4.170 -0.000 0.000 0.314 203 I C -1.093 174.992 176.117 -0.053 0.000 1.126 203 I CA -1.036 60.234 61.300 -0.050 0.000 0.973 203 I CB 2.403 40.347 38.000 -0.092 0.000 1.252 203 I HN 0.415 nan 8.210 nan 0.000 0.463 204 N N -0.596 117.879 118.700 -0.375 0.000 2.708 204 N HA 0.601 5.340 4.740 -0.000 0.000 0.257 204 N C -0.506 174.705 175.510 -0.499 0.000 1.373 204 N CA 0.203 53.104 53.050 -0.248 0.000 0.843 204 N CB 2.390 40.828 38.487 -0.081 0.000 1.503 204 N HN 0.961 nan 8.380 nan 0.000 0.504 205 T N -2.315 112.217 114.554 -0.038 0.000 3.431 205 T HA 0.378 4.728 4.350 -0.000 0.000 0.207 205 T C 0.363 175.027 174.700 -0.059 0.000 0.979 205 T CA -0.056 61.975 62.100 -0.114 0.000 1.141 205 T CB -0.629 68.083 68.868 -0.260 0.000 1.278 205 T HN 0.198 nan 8.240 nan 0.000 0.334 206 F N 3.252 123.263 119.950 0.102 0.000 2.612 206 F HA 0.308 4.835 4.527 -0.000 0.000 0.389 206 F C 1.729 177.459 175.800 -0.115 0.000 1.055 206 F CA 0.328 58.340 58.000 0.018 0.000 1.232 206 F CB 0.345 39.383 39.000 0.063 0.000 1.044 206 F HN 0.295 nan 8.300 nan 0.000 0.560 207 Q N 1.863 121.618 119.800 -0.076 0.000 1.891 207 Q HA 0.124 4.464 4.340 -0.000 0.000 0.206 207 Q C 0.388 176.181 176.000 -0.345 0.000 0.710 207 Q CA 0.114 55.729 55.803 -0.313 0.000 0.840 207 Q CB 0.667 28.820 28.738 -0.974 0.000 1.211 207 Q HN 0.653 nan 8.270 nan 0.000 0.424 208 R N 0.924 121.198 120.500 -0.377 0.000 2.997 208 R HA 0.473 4.813 4.340 -0.000 0.000 0.358 208 R C 0.276 176.274 176.300 -0.504 0.000 1.191 208 R CA 0.378 55.881 56.100 -0.995 0.000 1.113 208 R CB 1.051 30.944 30.300 -0.678 0.000 1.433 208 R HN 0.241 nan 8.270 nan 0.000 0.584 209 G N 1.761 110.441 108.800 -0.200 0.000 2.741 209 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.222 209 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.222 209 G C 0.584 175.422 174.900 -0.103 0.000 1.364 209 G CA 0.027 45.109 45.100 -0.030 0.000 0.866 209 G HN 0.467 nan 8.290 nan 0.000 0.555 210 E N -0.257 119.841 120.200 -0.171 0.000 2.418 210 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 210 E C 1.448 178.050 176.600 0.004 0.000 1.026 210 E CA 1.487 57.722 56.400 -0.276 0.000 0.862 210 E CB 0.021 29.508 29.700 -0.355 0.000 0.799 210 E HN 0.501 nan 8.360 nan 0.000 0.518 211 Q N 0.743 120.594 119.800 0.085 0.000 2.220 211 Q HA 0.129 4.469 4.340 -0.000 0.000 0.205 211 Q C -0.300 175.821 176.000 0.202 0.000 0.865 211 Q CA 0.048 55.934 55.803 0.140 0.000 0.960 211 Q CB 0.692 29.501 28.738 0.117 0.000 1.097 211 Q HN 0.389 nan 8.270 nan 0.000 0.493 212 E N 2.000 122.355 120.200 0.259 0.000 1.936 212 E HA 0.131 4.481 4.350 -0.000 0.000 0.267 212 E C -0.309 176.528 176.600 0.396 0.000 1.076 212 E CA -0.198 56.378 56.400 0.295 0.000 0.870 212 E CB 0.469 30.331 29.700 0.269 0.000 1.093 212 E HN 0.120 nan 8.360 nan 0.000 0.411 213 S N 2.310 118.200 115.700 0.317 0.000 2.634 213 S HA 0.070 4.540 4.470 -0.000 0.000 0.261 213 S C 1.336 176.103 174.600 0.279 0.000 1.271 213 S CA -0.265 58.123 58.200 0.313 0.000 0.985 213 S CB 1.256 64.641 63.200 0.309 0.000 0.968 213 S HN 0.450 nan 8.310 nan 0.000 0.568 214 T N 0.292 114.949 114.554 0.172 0.000 2.721 214 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 214 T C 1.058 175.645 174.700 -0.188 0.000 1.038 214 T CA 1.996 64.009 62.100 -0.145 0.000 1.145 214 T CB -0.618 68.068 68.868 -0.304 0.000 0.858 214 T HN 0.761 nan 8.240 nan 0.000 0.459 215 W N 1.659 122.984 121.300 0.043 0.000 2.525 215 W HA 0.102 4.762 4.660 0.000 0.000 0.259 215 W C 1.912 178.564 176.519 0.221 0.000 1.253 215 W CA 0.143 57.517 57.345 0.048 0.000 1.262 215 W CB -0.153 29.222 29.460 -0.143 0.000 1.122 215 W HN 0.341 nan 8.180 nan 0.000 0.607 216 E N -0.668 119.717 120.200 0.308 0.000 2.538 216 E HA 0.030 4.380 4.350 -0.000 0.000 0.207 216 E C 0.921 177.619 176.600 0.163 0.000 1.002 216 E CA 0.023 56.572 56.400 0.249 0.000 0.952 216 E CB 0.278 30.122 29.700 0.241 0.000 1.031 216 E HN 0.007 nan 8.360 nan 0.000 0.476 217 T N -1.551 113.046 114.554 0.072 0.000 2.824 217 T HA 0.519 4.869 4.350 -0.000 0.000 0.277 217 T C 0.254 174.994 174.700 0.066 0.000 0.975 217 T CA -0.617 61.483 62.100 0.001 0.000 0.966 217 T CB 1.217 69.945 68.868 -0.234 0.000 1.054 217 T HN -0.051 nan 8.240 nan 0.000 0.533 218 I N 2.044 122.697 120.570 0.137 0.000 2.437 218 I HA 0.321 4.491 4.170 -0.000 0.000 0.279 218 I C -2.540 173.691 176.117 0.188 0.000 1.028 218 I CA -2.598 58.813 61.300 0.185 0.000 1.142 218 I CB 1.874 40.030 38.000 0.260 0.000 1.266 218 I HN 0.424 nan 8.210 nan 0.000 0.461 219 P HA 0.040 nan 4.420 nan 0.000 0.266 219 P C -1.044 176.056 177.300 -0.333 0.000 1.195 219 P CA 0.551 63.483 63.100 -0.280 0.000 0.768 219 P CB 0.353 31.621 31.700 -0.721 0.000 0.838 220 H N 0.584 119.259 119.070 -0.658 0.000 3.042 220 H HA 0.435 4.991 4.556 -0.000 0.000 0.346 220 H C -3.310 171.408 175.328 -1.016 0.000 1.294 220 H CA -2.713 52.554 56.048 -1.302 0.000 1.141 220 H CB 0.921 30.047 29.762 -1.060 0.000 1.872 220 H HN 0.105 nan 8.280 nan 0.000 0.541 221 P HA 0.172 nan 4.420 nan 0.000 0.284 221 P C 0.349 177.536 177.300 -0.188 0.000 1.253 221 P CA -0.333 62.443 63.100 -0.540 0.000 0.800 221 P CB 1.645 33.106 31.700 -0.397 0.000 0.961 222 S N 2.075 117.720 115.700 -0.091 0.000 2.383 222 S HA -0.015 4.454 4.470 -0.000 0.000 0.227 222 S C 1.184 175.761 174.600 -0.039 0.000 1.026 222 S CA 0.802 58.955 58.200 -0.079 0.000 0.981 222 S CB -0.477 62.626 63.200 -0.161 0.000 0.818 222 S HN 0.477 nan 8.310 nan 0.000 0.472 223 I N 2.602 123.203 120.570 0.053 0.000 2.308 223 I HA 0.169 4.339 4.170 -0.000 0.000 0.293 223 I C -0.075 176.106 176.117 0.106 0.000 1.078 223 I CA -0.273 61.086 61.300 0.099 0.000 1.292 223 I CB 0.661 38.747 38.000 0.143 0.000 1.423 223 I HN 0.043 nan 8.210 nan 0.000 0.493 224 E N 6.091 126.358 120.200 0.112 0.000 2.046 224 E HA 0.153 4.502 4.350 -0.000 0.000 0.279 224 E C -0.006 176.615 176.600 0.035 0.000 0.989 224 E CA 0.034 56.526 56.400 0.153 0.000 0.798 224 E CB 0.758 30.602 29.700 0.239 0.000 1.086 224 E HN 0.489 nan 8.360 nan 0.000 0.399 225 E N 3.803 124.047 120.200 0.072 0.000 2.538 225 E HA 0.152 4.502 4.350 -0.000 0.000 0.207 225 E C -0.545 176.090 176.600 0.059 0.000 1.002 225 E CA -0.101 56.270 56.400 -0.049 0.000 0.952 225 E CB 0.167 29.878 29.700 0.019 0.000 1.031 225 E HN 0.586 nan 8.360 nan 0.000 0.476 226 F N -1.978 118.030 119.950 0.097 0.000 2.795 226 F HA -0.288 4.239 4.527 -0.000 0.000 0.297 226 F C 1.590 177.368 175.800 -0.035 0.000 0.699 226 F CA 1.028 59.055 58.000 0.045 0.000 1.384 226 F CB -2.090 36.928 39.000 0.030 0.000 1.672 226 F HN 0.211 nan 8.300 nan 0.000 0.345 227 K N -0.790 119.664 120.400 0.090 0.000 2.167 227 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 227 K C 0.469 176.751 176.600 -0.530 0.000 1.052 227 K CA 1.913 58.029 56.287 -0.285 0.000 0.956 227 K CB -0.176 32.061 32.500 -0.438 0.000 0.735 227 K HN 0.426 nan 8.250 nan 0.000 0.451 228 Y N -2.623 117.841 120.300 0.273 0.000 2.638 228 Y HA 0.486 5.036 4.550 -0.000 0.000 0.339 228 Y C 1.291 177.235 175.900 0.073 0.000 1.084 228 Y CA -0.763 57.501 58.100 0.273 0.000 1.068 228 Y CB 2.054 40.862 38.460 0.581 0.000 1.294 228 Y HN 0.440 nan 8.280 nan 0.000 0.480 229 G N 0.145 108.933 108.800 -0.020 0.000 2.488 229 G HA2 0.075 4.035 3.960 -0.000 0.000 0.237 229 G HA3 0.075 4.035 3.960 -0.000 0.000 0.237 229 G C 0.190 174.838 174.900 -0.421 0.000 1.209 229 G CA -0.344 44.345 45.100 -0.685 0.000 0.929 229 G HN 1.248 nan 8.290 nan 0.000 0.578 230 G N -0.428 108.029 108.800 -0.572 0.000 2.641 230 G HA2 0.664 4.624 3.960 -0.000 0.000 0.239 230 G HA3 0.664 4.624 3.960 -0.000 0.000 0.239 230 G C -0.711 173.869 174.900 -0.533 0.000 1.402 230 G CA 0.487 45.115 45.100 -0.787 0.000 1.046 230 G HN 0.681 nan 8.290 nan 0.000 0.565 231 P HA -0.005 nan 4.420 nan 0.000 0.226 231 P C 0.391 177.290 177.300 -0.668 0.000 1.153 231 P CA 0.792 63.615 63.100 -0.461 0.000 0.777 231 P CB 0.256 31.730 31.700 -0.377 0.000 0.794 232 N N -0.267 117.995 118.700 -0.729 0.000 2.458 232 N HA 0.191 4.931 4.740 -0.000 0.000 0.274 232 N C 1.169 176.338 175.510 -0.569 0.000 1.242 232 N CA 0.580 53.002 53.050 -1.048 0.000 0.904 232 N CB 0.644 38.642 38.487 -0.814 0.000 1.206 232 N HN 0.087 nan 8.380 nan 0.000 0.510 233 G N 1.673 110.273 108.800 -0.332 0.000 2.611 233 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.301 233 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.301 233 G C 0.268 175.129 174.900 -0.064 0.000 1.233 233 G CA 0.358 45.497 45.100 0.065 0.000 0.993 233 G HN 0.306 nan 8.290 nan 0.000 0.553 234 F N 1.209 121.254 119.950 0.158 0.000 2.695 234 F HA 0.427 4.954 4.527 -0.000 0.000 0.303 234 F C 2.483 178.185 175.800 -0.164 0.000 1.091 234 F CA 0.249 58.254 58.000 0.009 0.000 1.300 234 F CB -0.015 38.994 39.000 0.014 0.000 1.071 234 F HN 0.225 nan 8.300 nan 0.000 0.578 235 L N 0.508 121.824 121.223 0.154 0.000 1.971 235 L HA -0.256 4.084 4.340 -0.000 0.000 0.215 235 L C 1.876 178.746 176.870 0.000 0.000 1.072 235 L CA 1.823 56.763 54.840 0.167 0.000 0.758 235 L CB -0.694 41.537 42.059 0.286 0.000 0.889 235 L HN 0.176 nan 8.230 nan 0.000 0.433 236 D N -0.318 119.973 120.400 -0.182 0.000 2.338 236 D HA -0.082 4.558 4.640 -0.000 0.000 0.239 236 D C 1.847 178.026 176.300 -0.201 0.000 1.095 236 D CA 0.468 54.389 54.000 -0.131 0.000 0.888 236 D CB -0.373 40.263 40.800 -0.274 0.000 0.899 236 D HN 0.342 nan 8.370 nan 0.000 0.525 237 L N -1.285 119.594 121.223 -0.572 0.000 2.270 237 L HA 0.036 4.376 4.340 -0.000 0.000 0.210 237 L C 1.250 177.835 176.870 -0.475 0.000 1.104 237 L CA 0.693 54.975 54.840 -0.930 0.000 0.804 237 L CB -0.116 40.932 42.059 -1.684 0.000 0.937 237 L HN -0.011 nan 8.230 nan 0.000 0.450 238 F N -1.733 118.235 119.950 0.031 0.000 2.577 238 F HA 0.153 4.680 4.527 -0.000 0.000 0.276 238 F C 1.154 177.076 175.800 0.203 0.000 1.032 238 F CA -0.150 57.914 58.000 0.107 0.000 1.297 238 F CB -0.156 38.849 39.000 0.010 0.000 1.061 238 F HN -0.144 nan 8.300 nan 0.000 0.680 239 T N -0.926 113.830 114.554 0.337 0.000 2.912 239 T HA 0.468 4.818 4.350 -0.000 0.000 0.299 239 T C -1.107 173.758 174.700 0.274 0.000 1.052 239 T CA -0.809 61.443 62.100 0.252 0.000 0.996 239 T CB 2.543 71.507 68.868 0.160 0.000 1.070 239 T HN 0.052 nan 8.240 nan 0.000 0.465 240 K N 2.530 123.055 120.400 0.207 0.000 2.213 240 K HA 0.485 4.805 4.320 -0.000 0.000 0.270 240 K C -1.075 175.597 176.600 0.119 0.000 1.002 240 K CA -0.590 55.840 56.287 0.238 0.000 0.868 240 K CB 1.004 33.612 32.500 0.180 0.000 1.093 240 K HN 0.743 nan 8.250 nan 0.000 0.454 241 D N 2.358 122.763 120.400 0.008 0.000 2.497 241 D HA 0.306 4.946 4.640 -0.000 0.000 0.243 241 D C 0.540 176.711 176.300 -0.214 0.000 1.039 241 D CA -0.480 53.446 54.000 -0.124 0.000 1.052 241 D CB 1.520 42.133 40.800 -0.311 0.000 1.344 241 D HN 0.519 nan 8.370 nan 0.000 0.553 242 R N -0.335 120.074 120.500 -0.152 0.000 2.090 242 R HA 0.077 4.417 4.340 -0.000 0.000 0.228 242 R C 0.713 176.869 176.300 -0.239 0.000 1.110 242 R CA 0.770 56.771 56.100 -0.164 0.000 0.973 242 R CB -0.044 30.149 30.300 -0.178 0.000 0.869 242 R HN 0.456 nan 8.270 nan 0.000 0.440 243 S N -1.822 113.654 115.700 -0.372 0.000 2.656 243 S HA 0.468 4.938 4.470 -0.000 0.000 0.273 243 S C -1.430 172.868 174.600 -0.503 0.000 1.168 243 S CA -1.087 56.914 58.200 -0.331 0.000 0.817 243 S CB 1.132 64.269 63.200 -0.104 0.000 1.146 243 S HN 0.075 nan 8.310 nan 0.000 0.475 244 Y N -0.103 120.282 120.300 0.142 0.000 2.409 244 Y HA 0.792 5.342 4.550 -0.000 0.000 0.343 244 Y C 0.280 176.426 175.900 0.411 0.000 0.973 244 Y CA -0.532 57.725 58.100 0.262 0.000 1.064 244 Y CB 2.275 40.870 38.460 0.224 0.000 1.207 244 Y HN 1.119 nan 8.280 nan 0.000 0.452 245 A N 2.838 126.000 122.820 0.570 0.000 2.435 245 A HA 0.634 4.954 4.320 -0.000 0.000 0.304 245 A C -1.073 176.611 177.584 0.166 0.000 1.064 245 A CA -1.285 50.990 52.037 0.397 0.000 0.727 245 A CB 1.087 20.317 19.000 0.382 0.000 1.284 245 A HN 0.774 nan 8.150 nan 0.000 0.415 246 K N 1.183 121.402 120.400 -0.303 0.000 2.524 246 K HA 0.244 4.563 4.320 -0.000 0.000 0.279 246 K C 0.051 176.617 176.600 -0.056 0.000 0.993 246 K CA 0.866 56.911 56.287 -0.403 0.000 1.030 246 K CB 0.081 32.335 32.500 -0.410 0.000 0.891 246 K HN 0.810 nan 8.250 nan 0.000 0.488 247 Q N 2.434 122.226 119.800 -0.013 0.000 2.647 247 Q HA 0.360 4.700 4.340 -0.000 0.000 0.283 247 Q C -1.553 174.456 176.000 0.015 0.000 0.943 247 Q CA -1.196 54.593 55.803 -0.022 0.000 0.813 247 Q CB 0.914 29.747 28.738 0.158 0.000 1.477 247 Q HN 0.689 nan 8.270 nan 0.000 0.393 248 W N 0.469 121.668 121.300 -0.168 0.000 2.736 248 W HA 0.873 5.533 4.660 -0.000 0.000 0.355 248 W C -1.271 174.983 176.519 -0.442 0.000 1.102 248 W CA -1.049 56.092 57.345 -0.340 0.000 1.164 248 W CB 1.293 30.491 29.460 -0.437 0.000 1.422 248 W HN 0.811 nan 8.180 nan 0.000 0.572 249 R N 1.213 121.375 120.500 -0.563 0.000 2.579 249 R HA 0.435 4.775 4.340 -0.000 0.000 0.260 249 R C -2.022 173.752 176.300 -0.878 0.000 1.103 249 R CA -0.642 55.099 56.100 -0.598 0.000 0.942 249 R CB 1.821 32.099 30.300 -0.037 0.000 1.251 249 R HN 0.417 nan 8.270 nan 0.000 0.450 250 Y N -0.217 119.723 120.300 -0.599 0.000 2.545 250 Y HA 0.653 5.203 4.550 -0.000 0.000 0.348 250 Y C -0.131 175.598 175.900 -0.285 0.000 1.002 250 Y CA -1.018 56.735 58.100 -0.578 0.000 1.039 250 Y CB 2.869 40.612 38.460 -1.195 0.000 1.271 250 Y HN 0.417 nan 8.280 nan 0.000 0.467 251 T N 2.812 117.590 114.554 0.373 0.000 2.937 251 T HA 0.257 4.607 4.350 -0.000 0.000 0.297 251 T C -0.725 174.165 174.700 0.317 0.000 0.991 251 T CA -1.089 61.193 62.100 0.303 0.000 0.990 251 T CB 0.613 69.584 68.868 0.171 0.000 0.991 251 T HN 0.674 nan 8.240 nan 0.000 0.440 252 N N 1.660 120.621 118.700 0.434 0.000 2.463 252 N HA 0.570 5.310 4.740 -0.000 0.000 0.270 252 N C -0.906 174.719 175.510 0.192 0.000 1.205 252 N CA -0.876 52.364 53.050 0.317 0.000 0.974 252 N CB 1.185 39.869 38.487 0.329 0.000 1.197 252 N HN 0.619 nan 8.380 nan 0.000 0.504 253 A N 1.317 124.203 122.820 0.111 0.000 2.483 253 A HA 0.435 4.755 4.320 -0.000 0.000 0.308 253 A C -1.796 175.738 177.584 -0.084 0.000 1.291 253 A CA -1.354 50.667 52.037 -0.027 0.000 0.774 253 A CB 1.092 20.043 19.000 -0.082 0.000 1.134 253 A HN 0.678 nan 8.150 nan 0.000 0.471 254 P HA -0.165 nan 4.420 nan 0.000 0.225 254 P C 0.676 177.900 177.300 -0.127 0.000 1.148 254 P CA 1.349 64.447 63.100 -0.003 0.000 0.779 254 P CB 0.141 31.904 31.700 0.106 0.000 0.780 255 D N 0.416 120.579 120.400 -0.395 0.000 2.219 255 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 255 D C 1.772 177.906 176.300 -0.276 0.000 0.970 255 D CA 1.199 54.956 54.000 -0.405 0.000 0.851 255 D CB -0.852 39.527 40.800 -0.702 0.000 0.943 255 D HN 0.121 nan 8.370 nan 0.000 0.488 256 A N 1.307 124.003 122.820 -0.205 0.000 1.835 256 A HA -0.224 4.096 4.320 -0.000 0.000 0.215 256 A C 2.202 179.744 177.584 -0.069 0.000 1.199 256 A CA 1.890 53.865 52.037 -0.104 0.000 0.615 256 A CB -0.828 18.168 19.000 -0.007 0.000 0.838 256 A HN 0.155 nan 8.150 nan 0.000 0.444 257 E N -0.254 119.929 120.200 -0.028 0.000 2.086 257 E HA -0.139 4.210 4.350 -0.000 0.000 0.200 257 E C 2.067 178.672 176.600 0.009 0.000 1.012 257 E CA 1.499 57.911 56.400 0.020 0.000 0.812 257 E CB -0.733 29.009 29.700 0.070 0.000 0.743 257 E HN 0.586 nan 8.360 nan 0.000 0.453 258 G N 0.419 109.200 108.800 -0.031 0.000 2.446 258 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.217 258 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.217 258 G C 1.572 176.400 174.900 -0.120 0.000 1.168 258 G CA 0.989 46.051 45.100 -0.063 0.000 0.771 258 G HN 0.174 nan 8.290 nan 0.000 0.551 259 R N 0.494 120.880 120.500 -0.190 0.000 2.075 259 R HA 0.053 4.393 4.340 -0.000 0.000 0.232 259 R C 2.888 179.047 176.300 -0.235 0.000 1.126 259 R CA 1.419 57.320 56.100 -0.331 0.000 0.963 259 R CB -0.376 29.654 30.300 -0.450 0.000 0.858 259 R HN 0.293 nan 8.270 nan 0.000 0.435 260 A N 1.017 123.799 122.820 -0.062 0.000 1.902 260 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 260 A C 2.127 179.844 177.584 0.220 0.000 1.181 260 A CA 1.433 53.546 52.037 0.126 0.000 0.623 260 A CB -0.475 18.614 19.000 0.148 0.000 0.818 260 A HN 0.356 nan 8.150 nan 0.000 0.443 261 I N -0.377 120.274 120.570 0.136 0.000 2.315 261 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 261 I C 2.752 178.830 176.117 -0.066 0.000 1.117 261 I CA 1.657 62.991 61.300 0.055 0.000 1.404 261 I CB -0.328 37.646 38.000 -0.043 0.000 1.071 261 I HN 0.566 nan 8.210 nan 0.000 0.419 262 Q N 1.533 121.291 119.800 -0.070 0.000 2.061 262 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 262 Q C 2.338 178.416 176.000 0.129 0.000 0.984 262 Q CA 2.103 57.929 55.803 0.038 0.000 0.846 262 Q CB -0.150 28.588 28.738 0.000 0.000 0.902 262 Q HN 0.525 nan 8.270 nan 0.000 0.421 263 A N 0.206 123.024 122.820 -0.003 0.000 1.902 263 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 263 A C 2.201 179.984 177.584 0.333 0.000 1.181 263 A CA 1.601 53.751 52.037 0.187 0.000 0.623 263 A CB -0.676 18.453 19.000 0.215 0.000 0.818 263 A HN 0.320 nan 8.150 nan 0.000 0.443 264 V N -1.344 118.721 119.914 0.251 0.000 2.626 264 V HA -0.242 3.878 4.120 -0.000 0.000 0.252 264 V C 2.286 178.500 176.094 0.200 0.000 1.067 264 V CA 1.773 64.212 62.300 0.231 0.000 1.081 264 V CB -1.119 30.812 31.823 0.179 0.000 0.686 264 V HN 0.728 nan 8.190 nan 0.000 0.468 265 Y N -0.095 120.137 120.300 -0.113 0.000 2.165 265 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 265 Y C 2.086 177.777 175.900 -0.349 0.000 1.155 265 Y CA 1.812 59.685 58.100 -0.379 0.000 1.164 265 Y CB -0.289 37.729 38.460 -0.738 0.000 0.978 265 Y HN 0.299 nan 8.280 nan 0.000 0.513 266 W N -0.267 120.961 121.300 -0.120 0.000 2.476 266 W HA 0.031 4.691 4.660 -0.000 0.000 0.281 266 W C 2.625 178.830 176.519 -0.523 0.000 1.230 266 W CA 1.162 58.096 57.345 -0.686 0.000 1.287 266 W CB -0.559 28.338 29.460 -0.938 0.000 1.108 266 W HN 0.130 nan 8.180 nan 0.000 0.567 267 A N 0.461 123.371 122.820 0.150 0.000 1.877 267 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 267 A C 1.940 179.375 177.584 -0.249 0.000 1.186 267 A CA 1.939 54.118 52.037 0.237 0.000 0.620 267 A CB -1.175 18.013 19.000 0.313 0.000 0.822 267 A HN 0.439 nan 8.150 nan 0.000 0.443 268 N N -0.395 118.162 118.700 -0.238 0.000 2.084 268 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 268 N C 1.948 177.251 175.510 -0.344 0.000 1.030 268 N CA 1.790 54.650 53.050 -0.317 0.000 0.849 268 N CB -0.198 38.159 38.487 -0.216 0.000 1.012 268 N HN 0.580 nan 8.380 nan 0.000 0.423 269 K N -0.273 119.848 120.400 -0.465 0.000 2.057 269 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 269 K C 1.893 178.451 176.600 -0.071 0.000 1.050 269 K CA 1.081 57.135 56.287 -0.389 0.000 0.935 269 K CB -0.118 31.996 32.500 -0.642 0.000 0.715 269 K HN 0.282 nan 8.250 nan 0.000 0.439 270 W N 0.414 121.742 121.300 0.047 0.000 2.418 270 W HA 0.082 4.742 4.660 -0.000 0.000 0.292 270 W C 2.264 178.821 176.519 0.064 0.000 1.213 270 W CA 0.696 58.138 57.345 0.162 0.000 1.283 270 W CB -0.881 28.824 29.460 0.407 0.000 1.119 270 W HN 0.214 nan 8.180 nan 0.000 0.542 271 A N 0.597 123.346 122.820 -0.118 0.000 1.933 271 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 271 A C 2.041 179.533 177.584 -0.154 0.000 1.175 271 A CA 1.808 53.590 52.037 -0.425 0.000 0.628 271 A CB -0.622 17.729 19.000 -1.081 0.000 0.814 271 A HN 0.226 nan 8.150 nan 0.000 0.444 272 K N -0.275 120.046 120.400 -0.133 0.000 2.057 272 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 272 K C 1.810 178.408 176.600 -0.004 0.000 1.050 272 K CA 1.531 57.769 56.287 -0.082 0.000 0.935 272 K CB -0.155 32.282 32.500 -0.104 0.000 0.715 272 K HN 0.594 nan 8.250 nan 0.000 0.439 273 E N 0.437 120.673 120.200 0.060 0.000 2.333 273 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 273 E C 1.416 178.065 176.600 0.083 0.000 1.007 273 E CA 0.868 57.322 56.400 0.090 0.000 0.845 273 E CB 0.129 29.925 29.700 0.160 0.000 0.766 273 E HN 0.345 nan 8.360 nan 0.000 0.507 274 Q N -1.156 118.703 119.800 0.098 0.000 2.282 274 Q HA 0.130 4.470 4.340 -0.000 0.000 0.206 274 Q C 0.962 177.000 176.000 0.063 0.000 0.878 274 Q CA 0.325 56.191 55.803 0.104 0.000 0.944 274 Q CB 1.257 30.119 28.738 0.206 0.000 1.100 274 Q HN 0.341 nan 8.270 nan 0.000 0.509 275 G N 2.001 110.816 108.800 0.025 0.000 2.155 275 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 275 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 275 G C 0.447 175.342 174.900 -0.009 0.000 0.983 275 G CA 0.566 45.667 45.100 0.001 0.000 0.676 275 G HN 0.313 nan 8.290 nan 0.000 0.528 276 K N 0.354 120.745 120.400 -0.016 0.000 2.593 276 K HA 0.359 4.679 4.320 -0.000 0.000 0.208 276 K C 1.311 177.806 176.600 -0.175 0.000 1.051 276 K CA 0.086 56.349 56.287 -0.040 0.000 1.111 276 K CB 1.014 33.556 32.500 0.071 0.000 0.849 276 K HN 0.313 nan 8.250 nan 0.000 0.479 277 G N 1.683 110.380 108.800 -0.171 0.000 3.003 277 G HA2 0.010 3.970 3.960 -0.000 0.000 0.266 277 G HA3 0.010 3.970 3.960 -0.000 0.000 0.266 277 G C 0.563 175.347 174.900 -0.194 0.000 0.755 277 G CA 0.265 45.227 45.100 -0.230 0.000 2.061 277 G HN 0.292 nan 8.290 nan 0.000 0.599 278 S N -0.858 114.728 115.700 -0.190 0.000 1.913 278 S HA 0.169 4.638 4.470 -0.000 0.000 0.231 278 S C 2.014 176.551 174.600 -0.105 0.000 0.854 278 S CA 1.311 59.430 58.200 -0.135 0.000 1.513 278 S CB -0.761 62.384 63.200 -0.092 0.000 1.020 278 S HN 0.819 nan 8.310 nan 0.000 0.455 279 A N 1.647 124.409 122.820 -0.097 0.000 2.070 279 A HA 0.206 4.526 4.320 -0.000 0.000 0.220 279 A C 1.818 179.377 177.584 -0.042 0.000 1.159 279 A CA 1.800 53.824 52.037 -0.022 0.000 0.656 279 A CB -0.688 18.359 19.000 0.079 0.000 0.800 279 A HN 1.371 nan 8.150 nan 0.000 0.453 280 V N -4.743 115.078 119.914 -0.155 0.000 3.427 280 V HA 0.590 4.710 4.120 -0.000 0.000 0.305 280 V C 1.767 177.742 176.094 -0.199 0.000 1.412 280 V CA 0.544 62.751 62.300 -0.155 0.000 1.086 280 V CB -0.580 31.106 31.823 -0.227 0.000 0.964 280 V HN 0.376 nan 8.190 nan 0.000 0.439 281 A N 2.159 124.865 122.820 -0.191 0.000 1.933 281 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 281 A C 2.522 179.974 177.584 -0.221 0.000 1.175 281 A CA 2.388 54.294 52.037 -0.218 0.000 0.628 281 A CB -0.807 18.085 19.000 -0.180 0.000 0.814 281 A HN 1.001 nan 8.150 nan 0.000 0.444 282 S N -0.439 115.159 115.700 -0.170 0.000 2.383 282 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 282 S C 1.742 176.187 174.600 -0.258 0.000 1.026 282 S CA 1.366 59.465 58.200 -0.168 0.000 0.981 282 S CB -0.858 62.284 63.200 -0.097 0.000 0.818 282 S HN 0.241 nan 8.310 nan 0.000 0.472 283 V N 1.775 121.512 119.914 -0.295 0.000 2.307 283 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 283 V C 2.698 178.435 176.094 -0.595 0.000 1.045 283 V CA 1.571 63.560 62.300 -0.517 0.000 1.024 283 V CB -0.845 30.777 31.823 -0.335 0.000 0.651 283 V HN 0.452 nan 8.190 nan 0.000 0.449 284 V N -0.083 119.565 119.914 -0.444 0.000 2.282 284 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 284 V C 2.693 178.468 176.094 -0.532 0.000 1.057 284 V CA 2.550 64.526 62.300 -0.540 0.000 1.032 284 V CB -0.751 30.692 31.823 -0.633 0.000 0.645 284 V HN 0.643 nan 8.190 nan 0.000 0.447 285 S N -0.992 114.457 115.700 -0.418 0.000 2.402 285 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 285 S C 2.000 176.443 174.600 -0.261 0.000 1.021 285 S CA 1.584 59.597 58.200 -0.311 0.000 0.974 285 S CB -0.153 62.904 63.200 -0.239 0.000 0.800 285 S HN 0.643 nan 8.310 nan 0.000 0.484 286 K N 0.678 120.876 120.400 -0.336 0.000 2.116 286 K HA 0.213 4.533 4.320 -0.000 0.000 0.203 286 K C 2.421 178.947 176.600 -0.123 0.000 1.052 286 K CA 0.905 57.032 56.287 -0.267 0.000 0.952 286 K CB -0.321 32.001 32.500 -0.296 0.000 0.729 286 K HN 0.389 nan 8.250 nan 0.000 0.446 287 A N 1.606 124.200 122.820 -0.377 0.000 1.902 287 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 287 A C 2.372 180.029 177.584 0.121 0.000 1.181 287 A CA 1.881 53.874 52.037 -0.073 0.000 0.623 287 A CB -0.762 18.176 19.000 -0.104 0.000 0.818 287 A HN 0.315 nan 8.150 nan 0.000 0.443 288 A N -0.050 122.797 122.820 0.045 0.000 1.883 288 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 288 A C 2.143 179.775 177.584 0.080 0.000 1.186 288 A CA 2.168 54.250 52.037 0.075 0.000 0.624 288 A CB -0.517 18.453 19.000 -0.051 0.000 0.822 288 A HN 0.588 nan 8.150 nan 0.000 0.444 289 K N -0.878 119.533 120.400 0.018 0.000 2.032 289 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 289 K C 2.159 178.867 176.600 0.179 0.000 1.048 289 K CA 1.841 58.085 56.287 -0.072 0.000 0.927 289 K CB -0.289 31.985 32.500 -0.376 0.000 0.712 289 K HN 0.494 nan 8.250 nan 0.000 0.441 290 M N 0.294 120.111 119.600 0.361 0.000 2.106 290 M HA -0.149 4.331 4.480 -0.000 0.000 0.259 290 M C 1.916 178.424 176.300 0.347 0.000 1.068 290 M CA 2.200 57.785 55.300 0.475 0.000 1.100 290 M CB -0.463 32.448 32.600 0.520 0.000 1.351 290 M HN 0.357 nan 8.290 nan 0.000 0.404 291 G N -0.175 108.765 108.800 0.234 0.000 2.446 291 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 291 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 291 G C 1.164 176.324 174.900 0.434 0.000 1.168 291 G CA 1.286 46.481 45.100 0.158 0.000 0.771 291 G HN 0.460 nan 8.290 nan 0.000 0.551 292 D N 0.238 120.837 120.400 0.333 0.000 2.104 292 D HA -0.089 4.551 4.640 -0.000 0.000 0.194 292 D C 2.196 178.601 176.300 0.175 0.000 0.994 292 D CA 0.614 54.790 54.000 0.293 0.000 0.830 292 D CB -0.323 40.559 40.800 0.137 0.000 0.959 292 D HN 0.324 nan 8.370 nan 0.000 0.452 293 F N -0.132 119.919 119.950 0.168 0.000 2.365 293 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 293 F C 2.086 177.967 175.800 0.135 0.000 1.090 293 F CA 0.032 58.089 58.000 0.096 0.000 1.408 293 F CB 0.003 39.008 39.000 0.009 0.000 1.060 293 F HN 0.005 nan 8.300 nan 0.000 0.534 294 L N 0.079 121.541 121.223 0.400 0.000 2.456 294 L HA -0.088 4.252 4.340 -0.000 0.000 0.224 294 L C 2.028 179.056 176.870 0.263 0.000 1.148 294 L CA 1.269 56.336 54.840 0.378 0.000 0.825 294 L CB -0.841 41.549 42.059 0.551 0.000 0.937 294 L HN 0.001 nan 8.230 nan 0.000 0.450 295 R N -0.896 119.710 120.500 0.177 0.000 2.237 295 R HA -0.069 4.271 4.340 -0.000 0.000 0.219 295 R C 1.789 178.203 176.300 0.190 0.000 1.080 295 R CA 0.717 56.820 56.100 0.005 0.000 0.995 295 R CB -0.269 30.032 30.300 0.002 0.000 0.875 295 R HN 0.453 nan 8.270 nan 0.000 0.462 296 N N 0.961 119.789 118.700 0.213 0.000 2.289 296 N HA -0.143 4.596 4.740 -0.000 0.000 0.184 296 N C 0.384 176.035 175.510 0.234 0.000 1.016 296 N CA 1.315 54.511 53.050 0.244 0.000 0.872 296 N CB -0.042 38.544 38.487 0.165 0.000 0.973 296 N HN 0.321 nan 8.380 nan 0.000 0.433 297 D N 0.080 120.579 120.400 0.165 0.000 2.363 297 D HA 0.074 4.714 4.640 -0.000 0.000 0.226 297 D C 1.207 177.532 176.300 0.042 0.000 1.020 297 D CA 0.346 54.418 54.000 0.121 0.000 0.892 297 D CB 0.060 40.951 40.800 0.151 0.000 0.900 297 D HN 0.230 nan 8.370 nan 0.000 0.531 298 M N -0.293 119.223 119.600 -0.141 0.000 2.494 298 M HA 0.179 4.658 4.480 -0.000 0.000 0.232 298 M C -0.521 174.898 176.300 -1.469 0.000 1.137 298 M CA 0.206 55.116 55.300 -0.649 0.000 1.012 298 M CB 0.394 32.513 32.600 -0.800 0.000 1.567 298 M HN -0.123 nan 8.290 nan 0.000 0.486 299 F N 0.066 119.622 119.950 -0.657 0.000 2.522 299 F HA 0.294 4.821 4.527 -0.000 0.000 0.324 299 F C 0.644 176.138 175.800 -0.511 0.000 1.077 299 F CA -1.609 55.983 58.000 -0.680 0.000 0.944 299 F CB 0.686 39.346 39.000 -0.568 0.000 1.175 299 F HN -0.091 nan 8.300 nan 0.000 0.468 300 D N 2.371 122.638 120.400 -0.222 0.000 2.478 300 D HA -0.080 4.560 4.640 -0.000 0.000 0.234 300 D C 1.140 177.261 176.300 -0.299 0.000 1.154 300 D CA 0.287 54.231 54.000 -0.093 0.000 0.874 300 D CB 0.906 41.738 40.800 0.053 0.000 1.198 300 D HN 0.707 nan 8.370 nan 0.000 0.455 301 K N 2.474 122.723 120.400 -0.252 0.000 2.052 301 K HA -0.252 4.068 4.320 -0.000 0.000 0.215 301 K C 0.701 176.978 176.600 -0.539 0.000 1.053 301 K CA 1.688 57.707 56.287 -0.447 0.000 0.934 301 K CB -0.108 32.091 32.500 -0.502 0.000 0.717 301 K HN 0.530 nan 8.250 nan 0.000 0.450 302 Y N -0.927 119.425 120.300 0.087 0.000 2.681 302 Y HA 0.247 4.797 4.550 -0.000 0.000 0.267 302 Y C -0.778 175.269 175.900 0.245 0.000 1.166 302 Y CA -0.705 57.514 58.100 0.198 0.000 1.209 302 Y CB -0.008 38.606 38.460 0.257 0.000 1.161 302 Y HN 0.018 nan 8.280 nan 0.000 0.534 303 F N -1.633 118.413 119.950 0.160 0.000 3.074 303 F HA -0.301 4.226 4.527 0.000 0.000 0.287 303 F C 0.207 176.034 175.800 0.046 0.000 0.932 303 F CA 0.018 58.072 58.000 0.089 0.000 0.995 303 F CB -1.682 37.331 39.000 0.022 0.000 0.966 303 F HN -0.016 nan 8.300 nan 0.000 0.721 304 M N 0.099 119.765 119.600 0.111 0.000 2.247 304 M HA 0.227 4.707 4.480 -0.000 0.000 0.326 304 M C 0.846 177.178 176.300 0.053 0.000 1.134 304 M CA -0.366 54.922 55.300 -0.021 0.000 1.136 304 M CB 0.712 33.125 32.600 -0.312 0.000 1.454 304 M HN 0.074 nan 8.290 nan 0.000 0.467 305 K N 1.391 121.806 120.400 0.026 0.000 2.448 305 K HA 0.175 4.495 4.320 -0.000 0.000 0.278 305 K C -0.269 176.382 176.600 0.084 0.000 1.009 305 K CA -0.289 56.030 56.287 0.053 0.000 0.995 305 K CB 0.363 32.880 32.500 0.029 0.000 0.917 305 K HN 0.399 nan 8.250 nan 0.000 0.481 306 I N 2.315 122.939 120.570 0.090 0.000 2.683 306 I HA -0.064 4.106 4.170 -0.000 0.000 0.286 306 I C 1.574 177.760 176.117 0.116 0.000 1.175 306 I CA 1.011 62.383 61.300 0.120 0.000 1.429 306 I CB -0.323 37.737 38.000 0.100 0.000 1.371 306 I HN 1.037 nan 8.210 nan 0.000 0.569 307 G N 4.793 113.686 108.800 0.155 0.000 2.176 307 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 307 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 307 G C 1.106 176.014 174.900 0.014 0.000 0.979 307 G CA 0.666 45.833 45.100 0.112 0.000 0.641 307 G HN 0.862 nan 8.290 nan 0.000 0.530 308 A N -0.396 122.445 122.820 0.035 0.000 1.972 308 A HA 0.226 4.546 4.320 -0.000 0.000 0.219 308 A C 1.711 179.254 177.584 -0.069 0.000 1.169 308 A CA 2.278 54.306 52.037 -0.014 0.000 0.635 308 A CB -0.357 18.638 19.000 -0.009 0.000 0.810 308 A HN 1.404 nan 8.150 nan 0.000 0.446 309 Q N -1.266 118.482 119.800 -0.087 0.000 2.481 309 Q HA -0.217 4.123 4.340 -0.000 0.000 0.272 309 Q C -0.762 175.217 176.000 -0.035 0.000 1.157 309 Q CA 1.019 56.706 55.803 -0.194 0.000 0.935 309 Q CB -1.427 27.052 28.738 -0.432 0.000 1.338 309 Q HN 0.775 nan 8.270 nan 0.000 0.494 310 D N -1.330 119.102 120.400 0.052 0.000 2.913 310 D HA 0.126 4.766 4.640 -0.000 0.000 0.293 310 D C -1.209 175.035 176.300 -0.092 0.000 1.238 310 D CA -0.667 53.339 54.000 0.010 0.000 0.738 310 D CB 0.817 41.588 40.800 -0.048 0.000 1.254 310 D HN -0.012 nan 8.370 nan 0.000 0.429 311 K N 0.959 121.241 120.400 -0.197 0.000 2.502 311 K HA 0.330 4.650 4.320 -0.000 0.000 0.244 311 K C -0.537 175.889 176.600 -0.290 0.000 1.249 311 K CA -0.033 56.004 56.287 -0.415 0.000 1.193 311 K CB 0.191 32.426 32.500 -0.441 0.000 1.674 311 K HN 0.117 nan 8.250 nan 0.000 0.302 312 T N 3.497 117.913 114.554 -0.230 0.000 2.753 312 T HA 0.222 4.572 4.350 -0.000 0.000 0.297 312 T C -2.428 172.200 174.700 -0.120 0.000 0.981 312 T CA -1.943 60.074 62.100 -0.139 0.000 0.956 312 T CB 1.019 69.835 68.868 -0.086 0.000 0.936 312 T HN 0.136 nan 8.240 nan 0.000 0.463 313 P HA 0.362 nan 4.420 nan 0.000 0.268 313 P C -0.854 176.439 177.300 -0.011 0.000 1.205 313 P CA -0.385 62.687 63.100 -0.046 0.000 0.771 313 P CB 0.501 32.173 31.700 -0.046 0.000 0.858 314 A N 1.966 124.806 122.820 0.033 0.000 2.294 314 A HA 0.591 4.911 4.320 -0.000 0.000 0.330 314 A C 1.070 178.665 177.584 0.019 0.000 1.133 314 A CA 0.039 52.102 52.037 0.043 0.000 0.836 314 A CB 0.400 19.454 19.000 0.090 0.000 1.190 314 A HN 0.581 nan 8.150 nan 0.000 0.492 315 T N -1.954 112.608 114.554 0.013 0.000 2.999 315 T HA 0.372 4.722 4.350 -0.000 0.000 0.247 315 T C 1.145 175.838 174.700 -0.011 0.000 1.012 315 T CA 0.982 63.073 62.100 -0.015 0.000 1.048 315 T CB -0.177 68.681 68.868 -0.016 0.000 1.020 315 T HN 0.944 nan 8.240 nan 0.000 0.478 316 G N 0.114 108.939 108.800 0.041 0.000 3.434 316 G HA2 0.374 4.334 3.960 -0.000 0.000 0.192 316 G HA3 0.374 4.334 3.960 -0.000 0.000 0.192 316 G C -0.089 174.846 174.900 0.058 0.000 1.704 316 G CA -0.592 44.555 45.100 0.079 0.000 0.936 316 G HN 0.335 nan 8.290 nan 0.000 0.623 317 Y N 1.168 121.537 120.300 0.116 0.000 2.496 317 Y HA 0.160 4.710 4.550 -0.000 0.000 0.313 317 Y C 1.687 177.630 175.900 0.071 0.000 1.184 317 Y CA -0.178 58.009 58.100 0.144 0.000 1.275 317 Y CB 0.505 39.047 38.460 0.137 0.000 1.103 317 Y HN 0.187 nan 8.280 nan 0.000 0.513 318 D N -0.853 119.651 120.400 0.174 0.000 2.310 318 D HA -0.132 4.507 4.640 -0.000 0.000 0.212 318 D C 1.905 178.257 176.300 0.087 0.000 0.965 318 D CA 1.306 55.375 54.000 0.114 0.000 0.879 318 D CB -0.017 40.836 40.800 0.087 0.000 0.921 318 D HN 0.339 nan 8.370 nan 0.000 0.510 319 S N -0.819 114.958 115.700 0.129 0.000 2.575 319 S HA 0.335 4.805 4.470 -0.000 0.000 0.215 319 S C 0.917 175.470 174.600 -0.078 0.000 0.966 319 S CA -0.473 57.806 58.200 0.131 0.000 0.911 319 S CB 0.328 63.713 63.200 0.309 0.000 0.780 319 S HN 0.148 nan 8.310 nan 0.000 0.514 320 A N 2.272 124.898 122.820 -0.324 0.000 2.302 320 A HA 0.550 4.870 4.320 -0.000 0.000 0.295 320 A C 0.678 177.775 177.584 -0.812 0.000 1.235 320 A CA -0.600 50.792 52.037 -1.075 0.000 0.876 320 A CB -0.060 18.047 19.000 -1.489 0.000 1.133 320 A HN 0.693 nan 8.150 nan 0.000 0.533 321 H N 0.284 119.016 119.070 -0.562 0.000 2.563 321 H HA 0.166 4.722 4.556 0.000 0.000 0.264 321 H C -0.136 175.025 175.328 -0.277 0.000 0.957 321 H CA 0.349 56.206 56.048 -0.319 0.000 1.173 321 H CB -0.601 29.029 29.762 -0.220 0.000 1.420 321 H HN 0.738 nan 8.280 nan 0.000 0.551 322 Y N -0.827 119.244 120.300 -0.381 0.000 4.753 322 Y HA -0.259 4.291 4.550 -0.000 0.000 0.232 322 Y C -0.176 175.638 175.900 -0.143 0.000 1.029 322 Y CA 0.400 58.316 58.100 -0.308 0.000 1.996 322 Y CB -2.318 35.960 38.460 -0.303 0.000 1.602 322 Y HN 0.243 nan 8.280 nan 0.000 0.621 323 L N -0.271 121.057 121.223 0.174 0.000 2.365 323 L HA 0.472 4.812 4.340 -0.000 0.000 0.267 323 L C 0.769 177.673 176.870 0.057 0.000 1.033 323 L CA -1.316 53.510 54.840 -0.024 0.000 0.802 323 L CB 0.365 42.186 42.059 -0.397 0.000 1.267 323 L HN -0.131 nan 8.230 nan 0.000 0.457 324 M N 1.939 121.568 119.600 0.050 0.000 2.455 324 M HA 0.228 4.708 4.480 -0.000 0.000 0.331 324 M C 0.314 176.668 176.300 0.090 0.000 1.481 324 M CA -0.296 55.079 55.300 0.125 0.000 1.362 324 M CB -0.161 32.549 32.600 0.183 0.000 1.564 324 M HN 0.678 nan 8.290 nan 0.000 0.458 325 A N 3.688 126.549 122.820 0.068 0.000 2.346 325 A HA 0.026 4.346 4.320 -0.000 0.000 0.255 325 A C 1.198 178.840 177.584 0.096 0.000 1.113 325 A CA -0.304 51.716 52.037 -0.028 0.000 0.798 325 A CB 0.100 19.061 19.000 -0.065 0.000 1.073 325 A HN 0.985 nan 8.150 nan 0.000 0.502 326 W N -0.563 120.611 121.300 -0.211 0.000 2.364 326 W HA -0.073 4.587 4.660 -0.000 0.000 0.281 326 W C -0.288 176.346 176.519 0.192 0.000 1.219 326 W CA 2.421 59.689 57.345 -0.127 0.000 1.220 326 W CB -0.116 29.262 29.460 -0.138 0.000 1.127 326 W HN 0.707 nan 8.180 nan 0.000 0.556 327 Y N -3.433 116.985 120.300 0.197 0.000 2.687 327 Y HA 0.343 4.893 4.550 -0.000 0.000 0.338 327 Y C -0.858 175.150 175.900 0.179 0.000 1.189 327 Y CA -1.500 56.695 58.100 0.159 0.000 1.097 327 Y CB -0.060 38.488 38.460 0.147 0.000 1.342 327 Y HN -0.330 nan 8.280 nan 0.000 0.461 328 T N 1.097 115.910 114.554 0.431 0.000 2.925 328 T HA 0.937 5.287 4.350 -0.000 0.000 0.285 328 T C -0.499 174.606 174.700 0.674 0.000 1.021 328 T CA -0.204 62.167 62.100 0.452 0.000 1.042 328 T CB 1.630 70.703 68.868 0.341 0.000 1.037 328 T HN 1.215 nan 8.240 nan 0.000 0.481 329 A N 1.650 124.879 122.820 0.683 0.000 2.486 329 A HA 0.831 5.151 4.320 -0.000 0.000 0.300 329 A C -1.775 176.135 177.584 0.543 0.000 1.048 329 A CA -1.193 51.230 52.037 0.643 0.000 0.696 329 A CB 1.237 20.542 19.000 0.507 0.000 1.278 329 A HN 1.036 nan 8.150 nan 0.000 0.405 330 W N 0.923 122.096 121.300 -0.211 0.000 3.167 330 W HA 0.826 5.486 4.660 -0.000 0.000 0.324 330 W C -0.132 175.628 176.519 -1.265 0.000 1.230 330 W CA -0.388 56.462 57.345 -0.825 0.000 1.184 330 W CB 1.025 30.291 29.460 -0.322 0.000 1.414 330 W HN 1.337 nan 8.180 nan 0.000 0.551 331 G N -0.084 107.471 108.800 -2.076 0.000 2.634 331 G HA2 0.756 4.716 3.960 -0.000 0.000 0.309 331 G HA3 0.756 4.716 3.960 -0.000 0.000 0.309 331 G C -0.975 172.720 174.900 -2.008 0.000 1.299 331 G CA -0.190 43.631 45.100 -2.131 0.000 0.798 331 G HN 1.560 nan 8.290 nan 0.000 0.490 332 G N -2.123 105.361 108.800 -2.194 0.000 2.441 332 G HA2 0.666 4.626 3.960 -0.000 0.000 0.294 332 G HA3 0.666 4.626 3.960 -0.000 0.000 0.294 332 G C -0.211 173.700 174.900 -1.647 0.000 1.393 332 G CA 0.416 44.665 45.100 -1.418 0.000 0.796 332 G HN 1.438 nan 8.290 nan 0.000 0.494 333 G N -1.329 106.316 108.800 -1.925 0.000 2.572 333 G HA2 0.506 4.466 3.960 -0.000 0.000 0.261 333 G HA3 0.506 4.466 3.960 -0.000 0.000 0.261 333 G C 0.588 175.233 174.900 -0.424 0.000 1.197 333 G CA -0.431 43.739 45.100 -1.550 0.000 0.870 333 G HN 0.531 nan 8.290 nan 0.000 0.548 334 I N 0.609 121.068 120.570 -0.186 0.000 2.681 334 I HA 0.118 4.288 4.170 -0.000 0.000 0.247 334 I C 2.636 178.731 176.117 -0.038 0.000 1.091 334 I CA 0.704 61.990 61.300 -0.023 0.000 1.442 334 I CB 0.053 38.060 38.000 0.013 0.000 1.219 334 I HN 0.584 nan 8.210 nan 0.000 0.451 335 G N 0.854 109.640 108.800 -0.022 0.000 3.061 335 G HA2 0.436 4.396 3.960 -0.000 0.000 0.208 335 G HA3 0.436 4.396 3.960 -0.000 0.000 0.208 335 G C 0.254 175.170 174.900 0.026 0.000 1.175 335 G CA 0.689 45.796 45.100 0.012 0.000 0.812 335 G HN 0.427 nan 8.290 nan 0.000 0.523 336 A N -0.639 122.170 122.820 -0.019 0.000 2.597 336 A HA 0.652 4.972 4.320 -0.000 0.000 0.292 336 A C -0.399 177.123 177.584 -0.103 0.000 1.057 336 A CA -0.149 51.900 52.037 0.019 0.000 0.674 336 A CB 0.560 19.670 19.000 0.184 0.000 1.278 336 A HN 0.779 nan 8.150 nan 0.000 0.416 337 S N 1.755 117.471 115.700 0.026 0.000 2.474 337 S HA 0.756 5.226 4.470 -0.000 0.000 0.320 337 S C -0.518 174.189 174.600 0.179 0.000 1.067 337 S CA -0.452 57.766 58.200 0.029 0.000 1.127 337 S CB -0.349 62.899 63.200 0.080 0.000 0.971 337 S HN 1.521 nan 8.310 nan 0.000 0.472 338 W N 0.553 121.935 121.300 0.136 0.000 3.248 338 W HA 0.774 5.434 4.660 -0.000 0.000 0.311 338 W C -1.487 175.122 176.519 0.150 0.000 1.258 338 W CA -1.311 56.118 57.345 0.140 0.000 1.191 338 W CB 1.052 30.590 29.460 0.130 0.000 1.389 338 W HN 0.800 nan 8.180 nan 0.000 0.561 339 A N 2.474 125.608 122.820 0.522 0.000 2.606 339 A HA 0.903 5.223 4.320 -0.000 0.000 0.293 339 A C -1.625 176.282 177.584 0.538 0.000 1.082 339 A CA -0.802 51.444 52.037 0.349 0.000 0.685 339 A CB 1.846 20.999 19.000 0.256 0.000 1.284 339 A HN 1.048 nan 8.150 nan 0.000 0.408 340 W N 0.616 122.130 121.300 0.356 0.000 3.062 340 W HA 0.838 5.498 4.660 -0.000 0.000 0.336 340 W C -1.515 175.208 176.519 0.340 0.000 1.224 340 W CA -0.771 56.811 57.345 0.396 0.000 1.159 340 W CB 1.472 31.111 29.460 0.299 0.000 1.454 340 W HN 0.866 nan 8.180 nan 0.000 0.569 341 K N 2.392 123.238 120.400 0.744 0.000 2.543 341 K HA 0.524 4.844 4.320 -0.000 0.000 0.255 341 K C -1.317 175.711 176.600 0.712 0.000 0.934 341 K CA -0.563 56.043 56.287 0.533 0.000 0.810 341 K CB 2.723 35.298 32.500 0.126 0.000 1.315 341 K HN 0.640 nan 8.250 nan 0.000 0.433 342 I N -0.030 120.910 120.570 0.617 0.000 2.785 342 I HA 0.698 4.868 4.170 -0.000 0.000 0.302 342 I C 0.136 176.360 176.117 0.178 0.000 1.069 342 I CA -0.777 60.725 61.300 0.336 0.000 1.045 342 I CB 2.133 40.264 38.000 0.219 0.000 1.236 342 I HN 0.633 nan 8.210 nan 0.000 0.429 343 G N 2.180 110.898 108.800 -0.136 0.000 2.630 343 G HA2 0.516 4.476 3.960 -0.000 0.000 0.223 343 G HA3 0.516 4.476 3.960 -0.000 0.000 0.223 343 G C -1.179 173.545 174.900 -0.292 0.000 1.434 343 G CA -0.529 44.470 45.100 -0.167 0.000 1.057 343 G HN 0.846 nan 8.290 nan 0.000 0.570 344 C N -1.625 117.469 119.300 -0.344 0.000 2.880 344 C HA 0.654 5.114 4.460 -0.000 0.000 0.320 344 C C 1.349 176.119 174.990 -0.366 0.000 1.176 344 C CA -0.282 58.402 59.018 -0.556 0.000 1.390 344 C CB 1.154 28.304 27.740 -0.982 0.000 1.846 344 C HN 0.565 nan 8.230 nan 0.000 0.478 345 S N 1.739 117.112 115.700 -0.545 0.000 2.528 345 S HA 0.146 4.616 4.470 -0.000 0.000 0.219 345 S C 0.222 174.561 174.600 -0.436 0.000 0.985 345 S CA 0.303 58.252 58.200 -0.419 0.000 0.914 345 S CB -0.296 62.639 63.200 -0.441 0.000 0.776 345 S HN 0.810 nan 8.310 nan 0.000 0.526 346 H N 1.082 119.990 119.070 -0.269 0.000 2.457 346 H HA 0.725 5.281 4.556 0.000 0.000 0.335 346 H C -0.278 174.898 175.328 -0.252 0.000 1.115 346 H CA -0.950 54.932 56.048 -0.277 0.000 1.219 346 H CB 1.168 30.725 29.762 -0.341 0.000 1.471 346 H HN 0.141 nan 8.280 nan 0.000 0.491 347 A N 2.920 125.678 122.820 -0.103 0.000 2.386 347 A HA 0.389 4.709 4.320 -0.000 0.000 0.311 347 A C -1.153 176.485 177.584 0.090 0.000 1.068 347 A CA -0.620 51.368 52.037 -0.081 0.000 0.743 347 A CB 1.637 20.440 19.000 -0.327 0.000 1.258 347 A HN 0.779 nan 8.150 nan 0.000 0.429 348 H N 3.006 122.090 119.070 0.023 0.000 2.547 348 H HA 0.332 4.888 4.556 -0.000 0.000 0.342 348 H C 0.636 175.984 175.328 0.033 0.000 1.048 348 H CA -0.857 55.177 56.048 -0.024 0.000 1.204 348 H CB 1.080 30.744 29.762 -0.162 0.000 1.493 348 H HN 0.716 nan 8.280 nan 0.000 0.511 349 F N 3.695 123.672 119.950 0.046 0.000 2.192 349 F HA -0.067 4.460 4.527 -0.000 0.000 0.301 349 F C 1.741 177.610 175.800 0.115 0.000 1.079 349 F CA 1.623 59.575 58.000 -0.081 0.000 1.303 349 F CB -0.748 37.946 39.000 -0.509 0.000 1.024 349 F HN 0.520 nan 8.300 nan 0.000 0.494 350 G N -1.397 106.851 108.800 -0.919 0.000 2.559 350 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 350 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 350 G C 0.961 175.796 174.900 -0.108 0.000 1.126 350 G CA 0.567 45.123 45.100 -0.908 0.000 0.778 350 G HN 0.507 nan 8.290 nan 0.000 0.543 351 Y N 0.272 120.412 120.300 -0.267 0.000 2.462 351 Y HA 0.264 4.813 4.550 -0.000 0.000 0.261 351 Y C 1.118 177.013 175.900 -0.008 0.000 1.146 351 Y CA -0.689 57.341 58.100 -0.117 0.000 1.283 351 Y CB 0.206 38.593 38.460 -0.121 0.000 1.090 351 Y HN 0.095 nan 8.280 nan 0.000 0.526 352 Q N 0.721 120.618 119.800 0.161 0.000 2.340 352 Q HA 0.117 4.457 4.340 -0.000 0.000 0.249 352 Q C -0.172 175.969 176.000 0.234 0.000 0.957 352 Q CA 0.119 56.040 55.803 0.196 0.000 0.882 352 Q CB 0.717 29.557 28.738 0.170 0.000 1.235 352 Q HN 0.103 nan 8.270 nan 0.000 0.439 353 N N 2.328 121.164 118.700 0.227 0.000 2.725 353 N HA 0.188 4.928 4.740 -0.000 0.000 0.248 353 N C -2.274 173.356 175.510 0.200 0.000 1.402 353 N CA -1.568 51.597 53.050 0.192 0.000 0.766 353 N CB 1.102 39.641 38.487 0.087 0.000 1.223 353 N HN 0.140 nan 8.380 nan 0.000 0.515 354 P HA -0.075 nan 4.420 nan 0.000 0.223 354 P C 1.434 178.796 177.300 0.103 0.000 1.151 354 P CA 0.389 63.596 63.100 0.178 0.000 0.787 354 P CB 0.209 31.956 31.700 0.079 0.000 0.788 355 F N 1.951 121.904 119.950 0.005 0.000 2.075 355 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 355 F C 2.587 178.326 175.800 -0.102 0.000 1.113 355 F CA 1.728 59.728 58.000 0.000 0.000 1.218 355 F CB -0.906 38.083 39.000 -0.018 0.000 0.984 355 F HN -0.154 nan 8.300 nan 0.000 0.472 356 Q N 0.799 120.475 119.800 -0.206 0.000 2.096 356 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 356 Q C 2.375 178.007 176.000 -0.613 0.000 0.982 356 Q CA 1.959 57.492 55.803 -0.451 0.000 0.850 356 Q CB -1.181 27.390 28.738 -0.279 0.000 0.901 356 Q HN 0.541 nan 8.270 nan 0.000 0.422 357 G N 0.232 108.799 108.800 -0.388 0.000 2.491 357 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 357 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 357 G C 1.137 175.870 174.900 -0.278 0.000 1.180 357 G CA 0.920 45.866 45.100 -0.257 0.000 0.774 357 G HN 0.622 nan 8.290 nan 0.000 0.562 358 W N 0.970 121.867 121.300 -0.672 0.000 2.338 358 W HA -0.109 4.551 4.660 0.000 0.000 0.304 358 W C 2.455 178.509 176.519 -0.775 0.000 1.212 358 W CA 1.877 58.596 57.345 -1.043 0.000 1.264 358 W CB -0.382 28.533 29.460 -0.909 0.000 1.142 358 W HN 0.051 nan 8.180 nan 0.000 0.512 359 V N 0.582 119.923 119.914 -0.955 0.000 2.295 359 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 359 V C 2.594 178.196 176.094 -0.819 0.000 1.049 359 V CA 2.396 64.006 62.300 -1.150 0.000 1.024 359 V CB -1.333 29.742 31.823 -1.247 0.000 0.648 359 V HN 0.401 nan 8.190 nan 0.000 0.447 360 S N 0.115 115.365 115.700 -0.749 0.000 2.481 360 S HA -0.015 4.455 4.470 -0.000 0.000 0.231 360 S C 1.827 176.226 174.600 -0.336 0.000 0.996 360 S CA 1.278 59.132 58.200 -0.577 0.000 0.942 360 S CB -0.082 62.557 63.200 -0.936 0.000 0.768 360 S HN 0.551 nan 8.310 nan 0.000 0.520 361 A N 0.798 123.425 122.820 -0.321 0.000 2.044 361 A HA 0.194 4.514 4.320 -0.000 0.000 0.213 361 A C 2.248 179.705 177.584 -0.211 0.000 1.169 361 A CA 1.261 53.235 52.037 -0.105 0.000 0.724 361 A CB -0.506 18.567 19.000 0.122 0.000 0.840 361 A HN 0.750 nan 8.150 nan 0.000 0.463 362 T N -4.511 109.749 114.554 -0.489 0.000 2.958 362 T HA 0.170 4.520 4.350 -0.000 0.000 0.256 362 T C 0.252 174.695 174.700 -0.428 0.000 0.983 362 T CA -0.255 61.569 62.100 -0.461 0.000 0.924 362 T CB 0.071 68.543 68.868 -0.661 0.000 1.136 362 T HN 0.129 nan 8.240 nan 0.000 0.506 363 Q N 2.602 122.118 119.800 -0.474 0.000 2.322 363 Q HA 0.392 4.732 4.340 -0.000 0.000 0.256 363 Q C 1.225 177.155 176.000 -0.118 0.000 0.960 363 Q CA 0.069 55.703 55.803 -0.281 0.000 0.934 363 Q CB 1.685 30.282 28.738 -0.235 0.000 1.200 363 Q HN 0.551 nan 8.270 nan 0.000 0.435 364 S N 1.649 117.283 115.700 -0.111 0.000 2.419 364 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 364 S C 0.849 175.375 174.600 -0.122 0.000 1.016 364 S CA 1.173 59.313 58.200 -0.100 0.000 0.974 364 S CB 0.134 63.278 63.200 -0.093 0.000 0.786 364 S HN 0.449 nan 8.310 nan 0.000 0.492 365 D N 0.978 121.289 120.400 -0.148 0.000 2.218 365 D HA -0.002 4.638 4.640 -0.000 0.000 0.204 365 D C 0.615 176.601 176.300 -0.523 0.000 0.976 365 D CA 0.905 54.707 54.000 -0.330 0.000 0.853 365 D CB -0.299 40.251 40.800 -0.416 0.000 0.939 365 D HN 0.569 nan 8.370 nan 0.000 0.481 366 F N 0.360 120.189 119.950 -0.201 0.000 2.639 366 F HA 0.359 4.886 4.527 0.000 0.000 0.302 366 F C 0.906 176.605 175.800 -0.168 0.000 1.097 366 F CA -0.624 57.255 58.000 -0.202 0.000 1.294 366 F CB -0.053 38.792 39.000 -0.259 0.000 1.027 366 F HN -0.251 nan 8.300 nan 0.000 0.550 367 A N 1.748 124.547 122.820 -0.035 0.000 2.561 367 A HA 0.218 4.538 4.320 -0.000 0.000 0.251 367 A C -2.093 175.496 177.584 0.008 0.000 1.062 367 A CA -1.005 51.016 52.037 -0.026 0.000 0.761 367 A CB -0.648 18.322 19.000 -0.050 0.000 0.986 367 A HN 0.009 nan 8.150 nan 0.000 0.510 368 P HA 0.012 nan 4.420 nan 0.000 0.262 368 P C 0.600 177.933 177.300 0.055 0.000 1.182 368 P CA 0.182 63.348 63.100 0.110 0.000 0.761 368 P CB 0.530 32.325 31.700 0.159 0.000 0.795 369 K N 2.201 122.642 120.400 0.069 0.000 2.365 369 K HA -0.021 4.299 4.320 -0.000 0.000 0.199 369 K C 0.584 177.084 176.600 -0.167 0.000 1.045 369 K CA 0.333 56.578 56.287 -0.069 0.000 0.962 369 K CB 0.051 32.486 32.500 -0.109 0.000 0.759 369 K HN 0.611 nan 8.250 nan 0.000 0.469 370 S N -0.401 115.228 115.700 -0.120 0.000 2.614 370 S HA 0.027 4.497 4.470 -0.000 0.000 0.265 370 S C 1.060 175.623 174.600 -0.063 0.000 1.303 370 S CA -0.186 57.931 58.200 -0.138 0.000 1.000 370 S CB 1.612 64.765 63.200 -0.079 0.000 0.935 370 S HN 0.268 nan 8.310 nan 0.000 0.551 371 S N 0.993 116.657 115.700 -0.060 0.000 2.461 371 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 371 S C 0.876 175.475 174.600 -0.002 0.000 1.005 371 S CA 0.365 58.546 58.200 -0.033 0.000 0.942 371 S CB -0.556 62.622 63.200 -0.036 0.000 0.776 371 S HN 0.750 nan 8.310 nan 0.000 0.514 372 N N 0.804 119.517 118.700 0.021 0.000 2.197 372 N HA 0.232 4.972 4.740 -0.000 0.000 0.201 372 N C 1.662 177.210 175.510 0.062 0.000 1.148 372 N CA 0.696 53.771 53.050 0.042 0.000 0.883 372 N CB -0.199 38.337 38.487 0.082 0.000 1.012 372 N HN 0.500 nan 8.380 nan 0.000 0.507 373 G N 1.927 110.780 108.800 0.088 0.000 2.513 373 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 373 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 373 G C 1.508 176.542 174.900 0.223 0.000 1.160 373 G CA 0.976 46.173 45.100 0.162 0.000 0.767 373 G HN 0.298 nan 8.290 nan 0.000 0.571 374 K N 0.400 120.893 120.400 0.155 0.000 2.057 374 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 374 K C 2.538 179.210 176.600 0.120 0.000 1.050 374 K CA 1.089 57.464 56.287 0.146 0.000 0.935 374 K CB -0.220 32.318 32.500 0.063 0.000 0.715 374 K HN 0.289 nan 8.250 nan 0.000 0.439 375 R N 0.624 121.153 120.500 0.048 0.000 2.066 375 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 375 R C 1.366 177.634 176.300 -0.053 0.000 1.131 375 R CA 2.076 58.168 56.100 -0.014 0.000 0.955 375 R CB -0.266 30.000 30.300 -0.056 0.000 0.851 375 R HN 0.211 nan 8.270 nan 0.000 0.432 376 D N -0.237 120.131 120.400 -0.055 0.000 2.123 376 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 376 D C 1.664 177.886 176.300 -0.129 0.000 0.992 376 D CA 1.264 55.200 54.000 -0.106 0.000 0.833 376 D CB -0.517 40.245 40.800 -0.063 0.000 0.954 376 D HN 0.381 nan 8.370 nan 0.000 0.455 377 W N 1.042 122.372 121.300 0.051 0.000 2.402 377 W HA -0.122 4.538 4.660 -0.000 0.000 0.286 377 W C 2.508 179.098 176.519 0.119 0.000 1.221 377 W CA 1.035 58.427 57.345 0.078 0.000 1.257 377 W CB -0.290 29.203 29.460 0.054 0.000 1.120 377 W HN -0.083 nan 8.180 nan 0.000 0.551 378 T N -0.638 114.078 114.554 0.269 0.000 2.737 378 T HA -0.188 4.162 4.350 -0.000 0.000 0.265 378 T C 1.614 176.261 174.700 -0.089 0.000 1.038 378 T CA 2.003 64.221 62.100 0.196 0.000 1.144 378 T CB -0.721 68.206 68.868 0.098 0.000 0.866 378 T HN 0.047 nan 8.240 nan 0.000 0.434 379 T N 1.424 115.847 114.554 -0.218 0.000 2.684 379 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 379 T C 2.326 176.788 174.700 -0.398 0.000 1.036 379 T CA 1.591 63.416 62.100 -0.459 0.000 1.148 379 T CB -0.487 67.870 68.868 -0.852 0.000 0.863 379 T HN 0.369 nan 8.240 nan 0.000 0.436 380 S N 0.602 116.182 115.700 -0.201 0.000 2.368 380 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 380 S C 2.063 176.725 174.600 0.103 0.000 1.029 380 S CA 1.511 59.692 58.200 -0.032 0.000 0.988 380 S CB -0.531 62.647 63.200 -0.038 0.000 0.838 380 S HN 0.744 nan 8.310 nan 0.000 0.462 381 Y N 0.951 121.351 120.300 0.166 0.000 2.242 381 Y HA 0.141 4.691 4.550 -0.000 0.000 0.291 381 Y C 2.018 177.931 175.900 0.022 0.000 1.137 381 Y CA 1.420 59.596 58.100 0.126 0.000 1.181 381 Y CB -0.520 38.025 38.460 0.141 0.000 0.989 381 Y HN 0.111 nan 8.280 nan 0.000 0.527 382 K N 0.154 120.124 120.400 -0.716 0.000 2.057 382 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 382 K C 2.286 178.784 176.600 -0.171 0.000 1.049 382 K CA 1.518 57.502 56.287 -0.504 0.000 0.931 382 K CB -0.196 31.991 32.500 -0.522 0.000 0.714 382 K HN 0.165 nan 8.250 nan 0.000 0.440 383 R N 1.650 122.052 120.500 -0.164 0.000 2.096 383 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 383 R C 1.964 178.318 176.300 0.090 0.000 1.127 383 R CA 1.586 57.639 56.100 -0.078 0.000 0.968 383 R CB -0.144 30.035 30.300 -0.200 0.000 0.861 383 R HN 0.244 nan 8.270 nan 0.000 0.440 384 Q N -0.243 119.611 119.800 0.090 0.000 2.084 384 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 384 Q C 2.104 178.298 176.000 0.323 0.000 0.978 384 Q CA 1.698 57.616 55.803 0.191 0.000 0.844 384 Q CB -0.147 28.736 28.738 0.243 0.000 0.898 384 Q HN 0.347 nan 8.270 nan 0.000 0.426 385 L N 0.591 121.937 121.223 0.206 0.000 2.131 385 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 385 L C 2.111 179.083 176.870 0.169 0.000 1.092 385 L CA 1.166 56.108 54.840 0.170 0.000 0.759 385 L CB -0.348 41.703 42.059 -0.013 0.000 0.903 385 L HN 0.251 nan 8.230 nan 0.000 0.435 386 E N -0.542 119.749 120.200 0.151 0.000 2.107 386 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 386 E C 2.043 178.531 176.600 -0.186 0.000 0.982 386 E CA 0.861 57.288 56.400 0.045 0.000 0.809 386 E CB -0.106 29.737 29.700 0.238 0.000 0.756 386 E HN 0.294 nan 8.360 nan 0.000 0.459 387 F N 0.867 120.639 119.950 -0.296 0.000 2.095 387 F HA -0.266 4.261 4.527 0.000 0.000 0.298 387 F C 1.789 177.350 175.800 -0.397 0.000 1.104 387 F CA 1.495 59.089 58.000 -0.677 0.000 1.232 387 F CB -0.582 38.104 39.000 -0.522 0.000 0.987 387 F HN 0.032 nan 8.300 nan 0.000 0.475 388 Y N 0.257 120.445 120.300 -0.186 0.000 2.165 388 Y HA -0.286 4.263 4.550 -0.000 0.000 0.286 388 Y C 2.642 178.340 175.900 -0.337 0.000 1.155 388 Y CA 1.964 59.902 58.100 -0.270 0.000 1.164 388 Y CB -0.897 37.477 38.460 -0.144 0.000 0.978 388 Y HN 0.173 nan 8.280 nan 0.000 0.513 389 Q N -1.630 118.104 119.800 -0.109 0.000 2.079 389 Q HA -0.242 4.098 4.340 -0.000 0.000 0.200 389 Q C 2.007 177.954 176.000 -0.089 0.000 0.974 389 Q CA 1.633 57.333 55.803 -0.171 0.000 0.840 389 Q CB -0.577 28.162 28.738 0.003 0.000 0.898 389 Q HN 0.642 nan 8.270 nan 0.000 0.430 390 W N 1.107 122.115 121.300 -0.487 0.000 2.363 390 W HA -0.130 4.530 4.660 0.000 0.000 0.296 390 W C 1.137 177.521 176.519 -0.224 0.000 1.212 390 W CA 1.162 58.354 57.345 -0.255 0.000 1.260 390 W CB -0.114 29.043 29.460 -0.504 0.000 1.131 390 W HN 0.037 nan 8.180 nan 0.000 0.530 391 L N 0.712 121.615 121.223 -0.533 0.000 2.599 391 L HA 0.053 4.393 4.340 -0.000 0.000 0.230 391 L C 1.209 177.752 176.870 -0.546 0.000 1.141 391 L CA 0.132 54.499 54.840 -0.788 0.000 0.877 391 L CB -0.678 40.822 42.059 -0.933 0.000 1.009 391 L HN -0.101 nan 8.230 nan 0.000 0.447 392 Q N 1.372 120.974 119.800 -0.329 0.000 2.293 392 Q HA 0.126 4.466 4.340 -0.000 0.000 0.263 392 Q C 0.417 176.371 176.000 -0.076 0.000 1.002 392 Q CA -0.339 55.328 55.803 -0.227 0.000 0.910 392 Q CB 0.911 29.454 28.738 -0.324 0.000 1.185 392 Q HN 0.347 nan 8.270 nan 0.000 0.401 393 S N 2.881 118.506 115.700 -0.124 0.000 2.608 393 S HA 0.243 4.713 4.470 -0.000 0.000 0.261 393 S C 1.190 175.738 174.600 -0.087 0.000 1.314 393 S CA -0.171 57.961 58.200 -0.113 0.000 0.992 393 S CB 1.148 64.306 63.200 -0.070 0.000 0.935 393 S HN 0.772 nan 8.310 nan 0.000 0.564 394 A N 0.629 123.360 122.820 -0.148 0.000 1.986 394 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 394 A C 1.951 179.513 177.584 -0.036 0.000 1.171 394 A CA 1.990 53.975 52.037 -0.086 0.000 0.640 394 A CB -1.008 17.915 19.000 -0.129 0.000 0.811 394 A HN 0.896 nan 8.150 nan 0.000 0.451 395 E N -2.506 117.629 120.200 -0.109 0.000 2.250 395 E HA 0.319 4.669 4.350 -0.000 0.000 0.192 395 E C 1.445 177.880 176.600 -0.274 0.000 0.986 395 E CA 0.956 57.276 56.400 -0.132 0.000 0.849 395 E CB 0.162 29.779 29.700 -0.140 0.000 0.797 395 E HN 0.682 nan 8.360 nan 0.000 0.482 396 G N -0.409 108.137 108.800 -0.424 0.000 2.901 396 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.194 396 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.194 396 G C 0.633 175.258 174.900 -0.457 0.000 1.020 396 G CA -0.393 44.521 45.100 -0.311 0.000 0.787 396 G HN 0.478 nan 8.290 nan 0.000 0.477 397 G N 0.775 108.836 108.800 -1.231 0.000 2.527 397 G HA2 0.499 4.459 3.960 -0.000 0.000 0.248 397 G HA3 0.499 4.459 3.960 -0.000 0.000 0.248 397 G C 0.164 174.945 174.900 -0.198 0.000 1.231 397 G CA -0.213 44.320 45.100 -0.946 0.000 0.838 397 G HN 0.394 nan 8.290 nan 0.000 0.570 398 I N 1.499 121.969 120.570 -0.168 0.000 2.325 398 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 398 I C 1.001 176.564 176.117 -0.925 0.000 1.019 398 I CA -0.970 59.939 61.300 -0.652 0.000 1.302 398 I CB 0.435 37.705 38.000 -1.216 0.000 1.401 398 I HN 0.522 nan 8.210 nan 0.000 0.485 399 A N 4.931 127.139 122.820 -1.020 0.000 2.280 399 A HA 0.601 4.921 4.320 -0.000 0.000 0.268 399 A C 1.425 178.369 177.584 -1.067 0.000 1.111 399 A CA 0.253 51.417 52.037 -1.454 0.000 0.814 399 A CB -0.164 18.252 19.000 -0.973 0.000 1.093 399 A HN 0.872 nan 8.150 nan 0.000 0.498 400 G N -0.945 107.255 108.800 -0.999 0.000 2.552 400 G HA2 0.324 4.284 3.960 -0.000 0.000 0.216 400 G HA3 0.324 4.284 3.960 -0.000 0.000 0.216 400 G C 0.892 175.382 174.900 -0.682 0.000 1.240 400 G CA 1.672 46.270 45.100 -0.837 0.000 0.796 400 G HN 2.038 nan 8.290 nan 0.000 0.568 401 G N -1.943 106.518 108.800 -0.565 0.000 2.564 401 G HA2 0.611 4.571 3.960 -0.000 0.000 0.139 401 G HA3 0.611 4.571 3.960 -0.000 0.000 0.139 401 G C -1.241 173.659 174.900 -0.000 0.000 1.147 401 G CA 0.477 45.452 45.100 -0.209 0.000 1.031 401 G HN 1.670 nan 8.290 nan 0.000 0.482 402 A N -1.905 120.997 122.820 0.136 0.000 2.586 402 A HA 0.922 5.242 4.320 -0.000 0.000 0.291 402 A C -0.763 176.857 177.584 0.060 0.000 1.062 402 A CA 0.696 52.837 52.037 0.173 0.000 0.666 402 A CB 1.280 20.571 19.000 0.485 0.000 1.281 402 A HN 2.005 nan 8.150 nan 0.000 0.421 403 T N -0.800 113.800 114.554 0.075 0.000 2.900 403 T HA 0.513 4.863 4.350 -0.000 0.000 0.303 403 T C -0.123 174.674 174.700 0.161 0.000 1.142 403 T CA -0.212 61.948 62.100 0.100 0.000 1.007 403 T CB 1.610 70.552 68.868 0.123 0.000 1.156 403 T HN 0.746 nan 8.240 nan 0.000 0.490 404 N N 1.486 120.273 118.700 0.145 0.000 2.230 404 N HA 0.249 4.989 4.740 -0.000 0.000 0.202 404 N C -0.556 175.103 175.510 0.248 0.000 1.119 404 N CA -0.093 53.113 53.050 0.259 0.000 0.851 404 N CB 0.516 39.146 38.487 0.238 0.000 0.990 404 N HN 0.355 nan 8.380 nan 0.000 0.497 405 S N 0.212 115.969 115.700 0.096 0.000 2.383 405 S HA 0.119 4.589 4.470 -0.000 0.000 0.196 405 S C -1.466 173.158 174.600 0.040 0.000 1.364 405 S CA -0.731 57.356 58.200 -0.188 0.000 1.212 405 S CB -0.321 62.404 63.200 -0.793 0.000 1.171 405 S HN 0.299 nan 8.310 nan 0.000 0.456 406 W N 4.646 125.985 121.300 0.066 0.000 2.322 406 W HA 0.098 4.758 4.660 -0.000 0.000 0.328 406 W C 0.046 176.559 176.519 -0.011 0.000 1.395 406 W CA 0.585 57.968 57.345 0.064 0.000 1.267 406 W CB 0.047 29.628 29.460 0.201 0.000 1.259 406 W HN 0.867 nan 8.180 nan 0.000 0.560 407 N N 2.997 121.352 118.700 -0.575 0.000 2.708 407 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 407 N C 0.856 176.231 175.510 -0.226 0.000 1.123 407 N CA 1.938 54.760 53.050 -0.380 0.000 0.739 407 N CB -1.625 36.757 38.487 -0.175 0.000 1.113 407 N HN 0.878 nan 8.380 nan 0.000 0.561 408 G N -0.381 108.313 108.800 -0.177 0.000 2.258 408 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.274 408 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.274 408 G C 0.657 175.470 174.900 -0.145 0.000 1.021 408 G CA 0.860 45.886 45.100 -0.123 0.000 0.798 408 G HN 0.611 nan 8.290 nan 0.000 0.507 409 R N -1.515 118.926 120.500 -0.098 0.000 2.569 409 R HA 0.281 4.621 4.340 -0.000 0.000 0.422 409 R C 0.263 176.680 176.300 0.195 0.000 0.980 409 R CA -0.498 55.653 56.100 0.085 0.000 1.164 409 R CB 0.526 30.862 30.300 0.061 0.000 1.520 409 R HN 0.437 nan 8.270 nan 0.000 0.567 410 Y N 0.638 121.038 120.300 0.167 0.000 3.305 410 Y HA -0.302 4.248 4.550 0.000 0.000 0.212 410 Y C 0.068 176.044 175.900 0.126 0.000 1.248 410 Y CA 0.486 58.670 58.100 0.141 0.000 1.359 410 Y CB -2.113 36.382 38.460 0.058 0.000 1.407 410 Y HN 0.221 nan 8.280 nan 0.000 0.572 411 E N 0.612 120.975 120.200 0.271 0.000 2.392 411 E HA 0.157 4.507 4.350 -0.000 0.000 0.256 411 E C 0.340 177.047 176.600 0.178 0.000 1.145 411 E CA -0.910 55.633 56.400 0.240 0.000 0.929 411 E CB 0.460 30.356 29.700 0.328 0.000 0.998 411 E HN 0.012 nan 8.360 nan 0.000 0.442 412 K N 1.929 122.358 120.400 0.047 0.000 2.451 412 K HA 0.028 4.348 4.320 -0.000 0.000 0.280 412 K C -0.582 175.947 176.600 -0.118 0.000 1.020 412 K CA 0.211 56.448 56.287 -0.085 0.000 1.008 412 K CB 0.021 32.473 32.500 -0.079 0.000 0.917 412 K HN 0.336 nan 8.250 nan 0.000 0.478 413 Y N 2.601 122.742 120.300 -0.265 0.000 2.717 413 Y HA 0.008 4.558 4.550 -0.000 0.000 0.330 413 Y C -1.552 174.044 175.900 -0.507 0.000 1.217 413 Y CA -2.460 55.300 58.100 -0.566 0.000 1.506 413 Y CB -1.104 37.164 38.460 -0.321 0.000 1.268 413 Y HN 0.416 nan 8.280 nan 0.000 0.561 414 P HA 0.041 nan 4.420 nan 0.000 0.266 414 P C -0.480 176.734 177.300 -0.144 0.000 1.193 414 P CA -0.057 62.877 63.100 -0.277 0.000 0.770 414 P CB 0.499 32.032 31.700 -0.279 0.000 0.836 415 A N 2.804 125.580 122.820 -0.073 0.000 2.603 415 A HA 0.322 4.641 4.320 -0.000 0.000 0.235 415 A C 1.628 179.197 177.584 -0.024 0.000 1.035 415 A CA 0.855 52.871 52.037 -0.034 0.000 0.755 415 A CB -1.427 17.562 19.000 -0.018 0.000 0.954 415 A HN 0.963 nan 8.150 nan 0.000 0.511 416 G N 1.989 110.787 108.800 -0.005 0.000 2.168 416 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.263 416 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.263 416 G C 0.459 175.371 174.900 0.019 0.000 0.977 416 G CA 0.685 45.792 45.100 0.010 0.000 0.659 416 G HN 1.341 nan 8.290 nan 0.000 0.533 417 T N 1.412 115.965 114.554 -0.001 0.000 2.829 417 T HA 0.407 4.757 4.350 -0.000 0.000 0.293 417 T C 0.803 175.553 174.700 0.083 0.000 0.970 417 T CA 0.922 63.020 62.100 -0.002 0.000 1.168 417 T CB 1.265 70.043 68.868 -0.150 0.000 0.911 417 T HN 0.500 nan 8.240 nan 0.000 0.535 418 S N 2.876 118.662 115.700 0.143 0.000 2.564 418 S HA 0.444 4.914 4.470 -0.000 0.000 0.278 418 S C 0.410 175.246 174.600 0.394 0.000 1.333 418 S CA -0.604 57.745 58.200 0.248 0.000 1.048 418 S CB 0.138 63.458 63.200 0.200 0.000 0.900 418 S HN 0.888 nan 8.310 nan 0.000 0.505 419 T N 1.717 116.499 114.554 0.379 0.000 2.896 419 T HA 0.682 5.032 4.350 -0.000 0.000 0.297 419 T C -1.163 173.483 174.700 -0.090 0.000 1.108 419 T CA -0.728 61.507 62.100 0.224 0.000 1.004 419 T CB 1.333 70.295 68.868 0.158 0.000 1.159 419 T HN 0.491 nan 8.240 nan 0.000 0.499 420 F N 2.350 121.989 119.950 -0.519 0.000 2.659 420 F HA 0.470 4.997 4.527 -0.000 0.000 0.342 420 F C -0.872 174.850 175.800 -0.130 0.000 1.168 420 F CA -1.182 56.367 58.000 -0.751 0.000 1.003 420 F CB 0.674 38.706 39.000 -1.612 0.000 1.267 420 F HN 0.817 nan 8.300 nan 0.000 0.463 421 Y N 4.563 124.543 120.300 -0.534 0.000 3.108 421 Y HA -0.169 4.381 4.550 -0.000 0.000 0.208 421 Y C 1.457 177.295 175.900 -0.103 0.000 1.245 421 Y CA 1.307 59.206 58.100 -0.337 0.000 1.171 421 Y CB -1.184 36.987 38.460 -0.482 0.000 1.331 421 Y HN 1.160 nan 8.280 nan 0.000 0.534 422 G N -1.590 107.252 108.800 0.070 0.000 2.225 422 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.254 422 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.254 422 G C 0.290 175.371 174.900 0.302 0.000 0.988 422 G CA 0.190 45.395 45.100 0.176 0.000 0.625 422 G HN 0.390 nan 8.290 nan 0.000 0.527 423 M N 1.361 121.097 119.600 0.227 0.000 2.233 423 M HA 0.598 5.078 4.480 -0.000 0.000 0.355 423 M C 0.671 177.039 176.300 0.115 0.000 1.191 423 M CA -0.022 55.414 55.300 0.227 0.000 1.101 423 M CB 1.599 34.329 32.600 0.218 0.000 1.592 423 M HN 0.414 nan 8.290 nan 0.000 0.461 424 A N 3.275 125.991 122.820 -0.174 0.000 2.409 424 A HA 0.198 4.518 4.320 -0.000 0.000 0.262 424 A C -0.755 176.938 177.584 0.182 0.000 1.113 424 A CA -0.319 51.527 52.037 -0.317 0.000 0.790 424 A CB 0.000 18.429 19.000 -0.953 0.000 1.046 424 A HN 0.747 nan 8.150 nan 0.000 0.496 425 Y N 3.245 123.697 120.300 0.253 0.000 2.610 425 Y HA 0.319 4.868 4.550 -0.000 0.000 0.332 425 Y C 0.167 176.121 175.900 0.090 0.000 1.201 425 Y CA 0.714 58.956 58.100 0.237 0.000 1.465 425 Y CB 0.556 39.065 38.460 0.082 0.000 1.283 425 Y HN 0.854 nan 8.280 nan 0.000 0.563 426 V N 6.398 125.770 119.914 -0.903 0.000 2.623 426 V HA 0.441 4.561 4.120 -0.000 0.000 0.304 426 V C -2.490 172.857 176.094 -1.246 0.000 1.054 426 V CA -2.006 59.745 62.300 -0.914 0.000 0.882 426 V CB 1.953 33.449 31.823 -0.546 0.000 1.002 426 V HN 0.639 nan 8.190 nan 0.000 0.424 427 P HA -0.043 nan 4.420 nan 0.000 0.219 427 P C 0.250 176.934 177.300 -1.027 0.000 1.150 427 P CA 1.307 63.829 63.100 -0.963 0.000 0.814 427 P CB 0.023 31.407 31.700 -0.526 0.000 0.787 428 H N -0.969 117.854 119.070 -0.412 0.000 2.448 428 H HA 0.357 4.913 4.556 -0.000 0.000 0.237 428 H C -2.442 172.661 175.328 -0.376 0.000 1.391 428 H CA -2.335 53.539 56.048 -0.291 0.000 1.477 428 H CB 0.406 30.087 29.762 -0.136 0.000 1.520 428 H HN 0.109 nan 8.280 nan 0.000 0.502 429 P HA -0.073 nan 4.420 nan 0.000 0.264 429 P C 1.109 178.021 177.300 -0.648 0.000 1.193 429 P CA 0.450 63.259 63.100 -0.485 0.000 0.763 429 P CB 1.221 32.688 31.700 -0.388 0.000 0.810 430 V N 1.195 120.599 119.914 -0.850 0.000 0.414 430 V HA -0.312 3.808 4.120 -0.000 0.000 0.092 430 V C 0.102 175.511 176.094 -1.142 0.000 2.653 430 V CA 1.502 63.129 62.300 -1.123 0.000 3.769 430 V CB -2.371 28.487 31.823 -1.609 0.000 1.032 430 V HN 0.521 nan 8.190 nan 0.000 1.086 431 Y N -1.290 118.726 120.300 -0.473 0.000 2.373 431 Y HA 0.778 5.328 4.550 -0.000 0.000 0.336 431 Y C 0.404 176.203 175.900 -0.169 0.000 0.979 431 Y CA 0.056 57.989 58.100 -0.277 0.000 1.080 431 Y CB 2.012 40.327 38.460 -0.242 0.000 1.190 431 Y HN 0.101 nan 8.280 nan 0.000 0.446 432 A N 1.105 123.929 122.820 0.008 0.000 2.343 432 A HA 0.116 4.436 4.320 -0.000 0.000 0.223 432 A C -0.043 177.548 177.584 0.012 0.000 1.214 432 A CA 0.299 52.318 52.037 -0.031 0.000 0.900 432 A CB 0.207 19.173 19.000 -0.057 0.000 0.942 432 A HN 0.587 nan 8.150 nan 0.000 0.507 433 D N 1.013 121.469 120.400 0.094 0.000 2.438 433 D HA 0.435 5.075 4.640 -0.000 0.000 0.257 433 D C -2.853 173.528 176.300 0.134 0.000 1.148 433 D CA -1.731 52.335 54.000 0.110 0.000 0.902 433 D CB 1.426 42.308 40.800 0.136 0.000 1.062 433 D HN 0.059 nan 8.370 nan 0.000 0.518 434 P HA 0.348 nan 4.420 nan 0.000 0.277 434 P C 0.360 177.685 177.300 0.040 0.000 1.271 434 P CA -0.559 62.585 63.100 0.073 0.000 0.795 434 P CB 0.510 32.272 31.700 0.104 0.000 1.101 435 G N -0.087 108.642 108.800 -0.118 0.000 2.321 435 G HA2 0.135 4.095 3.960 -0.000 0.000 0.237 435 G HA3 0.135 4.095 3.960 -0.000 0.000 0.237 435 G C 1.085 176.092 174.900 0.180 0.000 1.282 435 G CA 0.148 45.069 45.100 -0.298 0.000 0.886 435 G HN 0.521 nan 8.290 nan 0.000 0.528 436 S N 0.912 116.803 115.700 0.318 0.000 2.547 436 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 436 S C 1.381 176.426 174.600 0.741 0.000 0.980 436 S CA 0.948 59.428 58.200 0.467 0.000 0.941 436 S CB 0.034 63.408 63.200 0.290 0.000 0.763 436 S HN 0.531 nan 8.310 nan 0.000 0.532 437 N N 0.870 120.039 118.700 0.781 0.000 2.291 437 N HA 0.184 4.924 4.740 -0.000 0.000 0.244 437 N C 1.022 177.043 175.510 0.851 0.000 1.216 437 N CA -0.177 53.305 53.050 0.720 0.000 0.879 437 N CB 0.152 38.706 38.487 0.113 0.000 1.167 437 N HN 0.609 nan 8.380 nan 0.000 0.515 438 Q N -0.952 119.313 119.800 0.774 0.000 2.187 438 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 438 Q C -0.182 176.194 176.000 0.627 0.000 0.957 438 Q CA 0.380 56.569 55.803 0.643 0.000 0.857 438 Q CB 0.079 29.067 28.738 0.416 0.000 0.929 438 Q HN 0.369 nan 8.270 nan 0.000 0.453 439 W N 0.727 122.284 121.300 0.428 0.000 2.368 439 W HA 0.048 4.708 4.660 -0.000 0.000 0.316 439 W C 0.379 177.123 176.519 0.374 0.000 1.375 439 W CA -0.793 56.728 57.345 0.294 0.000 1.261 439 W CB 0.214 29.727 29.460 0.088 0.000 1.298 439 W HN 0.155 nan 8.180 nan 0.000 0.539 440 F N 5.088 124.995 119.950 -0.072 0.000 2.333 440 F HA 0.009 4.536 4.527 0.000 0.000 0.300 440 F C 1.995 177.469 175.800 -0.543 0.000 1.083 440 F CA 2.109 60.036 58.000 -0.121 0.000 1.395 440 F CB -0.440 38.519 39.000 -0.069 0.000 1.056 440 F HN 0.491 nan 8.300 nan 0.000 0.529 441 G N 0.229 107.957 108.800 -1.787 0.000 2.505 441 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 441 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 441 G C 1.729 175.725 174.900 -1.507 0.000 1.145 441 G CA 1.170 44.886 45.100 -2.308 0.000 0.761 441 G HN 0.471 nan 8.290 nan 0.000 0.571 442 F N 0.702 120.081 119.950 -0.952 0.000 2.202 442 F HA -0.164 4.363 4.527 -0.000 0.000 0.301 442 F C 3.129 178.930 175.800 0.002 0.000 1.082 442 F CA 1.078 58.915 58.000 -0.272 0.000 1.313 442 F CB 0.003 38.974 39.000 -0.048 0.000 1.024 442 F HN 0.093 nan 8.300 nan 0.000 0.495 443 Q N 0.346 120.266 119.800 0.200 0.000 2.030 443 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 443 Q C 2.576 178.739 176.000 0.271 0.000 0.986 443 Q CA 1.741 57.777 55.803 0.390 0.000 0.843 443 Q CB -0.973 27.836 28.738 0.119 0.000 0.904 443 Q HN 0.475 nan 8.270 nan 0.000 0.420 444 A N -0.035 122.808 122.820 0.039 0.000 1.872 444 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 444 A C 1.845 179.624 177.584 0.325 0.000 1.187 444 A CA 0.954 53.132 52.037 0.236 0.000 0.614 444 A CB -0.949 18.176 19.000 0.207 0.000 0.826 444 A HN 0.361 nan 8.150 nan 0.000 0.442 445 W N 0.259 121.613 121.300 0.089 0.000 2.318 445 W HA -0.142 4.519 4.660 0.000 0.000 0.313 445 W C 2.997 179.592 176.519 0.127 0.000 1.221 445 W CA 1.312 58.741 57.345 0.141 0.000 1.266 445 W CB -1.161 28.374 29.460 0.126 0.000 1.150 445 W HN 0.360 nan 8.180 nan 0.000 0.496 446 S N -1.295 114.631 115.700 0.377 0.000 2.371 446 S HA -0.079 4.391 4.470 -0.000 0.000 0.221 446 S C 1.934 176.659 174.600 0.208 0.000 1.036 446 S CA 1.013 59.402 58.200 0.314 0.000 0.965 446 S CB -0.346 63.035 63.200 0.301 0.000 0.845 446 S HN -0.105 nan 8.310 nan 0.000 0.475 447 M N 1.764 121.384 119.600 0.033 0.000 2.279 447 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 447 M C 2.188 178.341 176.300 -0.245 0.000 1.062 447 M CA 1.167 56.234 55.300 -0.387 0.000 1.099 447 M CB -1.421 30.423 32.600 -1.260 0.000 1.394 447 M HN 0.433 nan 8.290 nan 0.000 0.426 448 Q N 1.062 120.842 119.800 -0.033 0.000 2.152 448 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 448 Q C 1.959 177.990 176.000 0.052 0.000 0.985 448 Q CA 1.755 57.609 55.803 0.085 0.000 0.863 448 Q CB -0.144 28.738 28.738 0.240 0.000 0.904 448 Q HN 0.504 nan 8.270 nan 0.000 0.422 449 R N -0.705 119.821 120.500 0.043 0.000 2.092 449 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 449 R C 2.495 178.812 176.300 0.028 0.000 1.119 449 R CA 1.344 57.464 56.100 0.034 0.000 0.970 449 R CB -0.308 30.052 30.300 0.099 0.000 0.864 449 R HN 0.080 nan 8.270 nan 0.000 0.440 450 V N 1.019 120.882 119.914 -0.085 0.000 2.343 450 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 450 V C 2.311 178.430 176.094 0.042 0.000 1.051 450 V CA 1.550 63.778 62.300 -0.120 0.000 1.036 450 V CB -0.371 31.193 31.823 -0.433 0.000 0.654 450 V HN 0.264 nan 8.190 nan 0.000 0.451 451 M N -0.360 119.250 119.600 0.017 0.000 2.106 451 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 451 M C 2.124 178.500 176.300 0.127 0.000 1.068 451 M CA 1.584 56.965 55.300 0.136 0.000 1.100 451 M CB -1.384 31.306 32.600 0.149 0.000 1.351 451 M HN 0.442 nan 8.290 nan 0.000 0.404 452 E N -1.105 119.106 120.200 0.019 0.000 2.110 452 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 452 E C 1.990 178.565 176.600 -0.041 0.000 0.988 452 E CA 1.166 57.501 56.400 -0.107 0.000 0.804 452 E CB -0.344 29.067 29.700 -0.481 0.000 0.745 452 E HN 0.543 nan 8.360 nan 0.000 0.458 453 Y N 0.212 120.512 120.300 0.000 0.000 2.165 453 Y HA -0.329 4.221 4.550 -0.000 0.000 0.286 453 Y C 2.146 177.958 175.900 -0.145 0.000 1.155 453 Y CA 1.792 59.879 58.100 -0.021 0.000 1.164 453 Y CB -0.419 38.025 38.460 -0.026 0.000 0.978 453 Y HN 0.089 nan 8.280 nan 0.000 0.513 454 Y N 0.113 120.274 120.300 -0.231 0.000 2.220 454 Y HA -0.188 4.362 4.550 0.000 0.000 0.291 454 Y C 2.422 178.213 175.900 -0.181 0.000 1.129 454 Y CA 1.431 59.353 58.100 -0.297 0.000 1.161 454 Y CB -0.688 37.741 38.460 -0.052 0.000 0.997 454 Y HN 0.259 nan 8.280 nan 0.000 0.522 455 L N 0.149 121.338 121.223 -0.057 0.000 2.013 455 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 455 L C 1.931 178.905 176.870 0.172 0.000 1.073 455 L CA 2.183 57.051 54.840 0.046 0.000 0.753 455 L CB -0.349 41.736 42.059 0.044 0.000 0.890 455 L HN 0.287 nan 8.230 nan 0.000 0.432 456 E N -0.966 119.213 120.200 -0.035 0.000 2.371 456 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 456 E C 1.874 178.330 176.600 -0.240 0.000 1.012 456 E CA 1.407 57.777 56.400 -0.050 0.000 0.860 456 E CB 0.115 29.717 29.700 -0.165 0.000 0.811 456 E HN 0.682 nan 8.360 nan 0.000 0.502 457 T N -4.249 109.897 114.554 -0.680 0.000 2.999 457 T HA 0.287 4.637 4.350 -0.000 0.000 0.247 457 T C 1.646 175.571 174.700 -1.292 0.000 1.012 457 T CA 0.698 62.310 62.100 -0.815 0.000 1.048 457 T CB 0.505 68.728 68.868 -1.075 0.000 1.020 457 T HN 0.147 nan 8.240 nan 0.000 0.478 458 G N 2.095 109.764 108.800 -1.885 0.000 2.155 458 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 458 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 458 G C -0.150 174.212 174.900 -0.896 0.000 0.983 458 G CA 0.237 43.854 45.100 -2.472 0.000 0.676 458 G HN 0.802 nan 8.290 nan 0.000 0.528 459 D N 0.582 120.661 120.400 -0.535 0.000 2.402 459 D HA 0.372 5.012 4.640 -0.000 0.000 0.268 459 D C 1.497 177.848 176.300 0.085 0.000 1.294 459 D CA 0.691 54.607 54.000 -0.140 0.000 0.945 459 D CB 0.405 41.190 40.800 -0.025 0.000 1.112 459 D HN 0.051 nan 8.370 nan 0.000 0.517 460 S N 1.908 117.645 115.700 0.062 0.000 2.442 460 S HA -0.163 4.307 4.470 -0.000 0.000 0.236 460 S C 1.961 176.599 174.600 0.064 0.000 1.007 460 S CA 1.013 59.266 58.200 0.088 0.000 0.965 460 S CB -0.140 63.105 63.200 0.075 0.000 0.773 460 S HN 0.696 nan 8.310 nan 0.000 0.504 461 S N 0.167 115.919 115.700 0.086 0.000 2.493 461 S HA 0.001 4.471 4.470 -0.000 0.000 0.243 461 S C 1.349 175.992 174.600 0.071 0.000 0.991 461 S CA 0.730 58.989 58.200 0.097 0.000 0.957 461 S CB -0.137 63.138 63.200 0.126 0.000 0.756 461 S HN 0.298 nan 8.310 nan 0.000 0.521 462 V N 0.380 120.310 119.914 0.027 0.000 3.528 462 V HA 0.276 4.396 4.120 -0.000 0.000 0.294 462 V C 2.148 178.123 176.094 -0.198 0.000 1.404 462 V CA 0.350 62.618 62.300 -0.052 0.000 1.065 462 V CB 0.115 31.954 31.823 0.026 0.000 0.904 462 V HN 0.473 nan 8.190 nan 0.000 0.435 463 K N 0.935 121.211 120.400 -0.206 0.000 2.032 463 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 463 K C 1.867 178.407 176.600 -0.100 0.000 1.048 463 K CA 2.193 58.341 56.287 -0.233 0.000 0.927 463 K CB -0.033 32.418 32.500 -0.081 0.000 0.712 463 K HN 0.429 nan 8.250 nan 0.000 0.441 464 N N 0.985 119.665 118.700 -0.033 0.000 2.120 464 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 464 N C 1.707 177.189 175.510 -0.047 0.000 1.024 464 N CA 1.063 54.114 53.050 0.002 0.000 0.852 464 N CB -0.447 38.076 38.487 0.060 0.000 1.003 464 N HN 0.173 nan 8.380 nan 0.000 0.424 465 L N 1.173 122.330 121.223 -0.111 0.000 2.013 465 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 465 L C 1.941 178.767 176.870 -0.074 0.000 1.073 465 L CA 1.486 56.232 54.840 -0.156 0.000 0.753 465 L CB -0.568 41.384 42.059 -0.179 0.000 0.890 465 L HN 0.108 nan 8.230 nan 0.000 0.432 466 I N -0.821 119.686 120.570 -0.105 0.000 2.163 466 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 466 I C 2.429 178.513 176.117 -0.055 0.000 1.081 466 I CA 0.911 62.156 61.300 -0.092 0.000 1.353 466 I CB -0.425 37.466 38.000 -0.180 0.000 1.054 466 I HN 0.215 nan 8.210 nan 0.000 0.407 467 K N 1.009 121.380 120.400 -0.049 0.000 2.020 467 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 467 K C 2.019 178.640 176.600 0.036 0.000 1.050 467 K CA 1.539 57.819 56.287 -0.011 0.000 0.929 467 K CB -0.615 31.922 32.500 0.062 0.000 0.714 467 K HN 0.265 nan 8.250 nan 0.000 0.443 468 K N -0.371 120.068 120.400 0.065 0.000 2.063 468 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 468 K C 2.107 178.804 176.600 0.162 0.000 1.048 468 K CA 1.531 57.875 56.287 0.096 0.000 0.928 468 K CB -0.274 32.271 32.500 0.075 0.000 0.713 468 K HN 0.208 nan 8.250 nan 0.000 0.442 469 W N 0.641 121.944 121.300 0.004 0.000 2.381 469 W HA -0.192 4.468 4.660 0.000 0.000 0.301 469 W C 1.587 178.200 176.519 0.157 0.000 1.205 469 W CA 1.229 58.641 57.345 0.111 0.000 1.285 469 W CB -0.233 29.258 29.460 0.051 0.000 1.133 469 W HN -0.170 nan 8.180 nan 0.000 0.521 470 V N 1.164 121.177 119.914 0.165 0.000 2.255 470 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 470 V C 2.096 178.135 176.094 -0.090 0.000 1.051 470 V CA 2.443 64.703 62.300 -0.066 0.000 1.018 470 V CB -1.077 30.577 31.823 -0.281 0.000 0.641 470 V HN 0.086 nan 8.190 nan 0.000 0.445 471 D N -1.232 119.163 120.400 -0.007 0.000 2.158 471 D HA -0.242 4.398 4.640 -0.000 0.000 0.197 471 D C 1.692 178.008 176.300 0.027 0.000 0.995 471 D CA 1.657 55.669 54.000 0.020 0.000 0.846 471 D CB -0.326 40.511 40.800 0.062 0.000 0.941 471 D HN 0.688 nan 8.370 nan 0.000 0.456 472 W N 1.573 122.773 121.300 -0.166 0.000 2.354 472 W HA -0.170 4.490 4.660 -0.000 0.000 0.315 472 W C 2.199 178.575 176.519 -0.238 0.000 1.206 472 W CA 0.965 58.201 57.345 -0.181 0.000 1.290 472 W CB -0.723 28.617 29.460 -0.200 0.000 1.152 472 W HN -0.222 nan 8.180 nan 0.000 0.489 473 V N 1.453 121.053 119.914 -0.523 0.000 2.343 473 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 473 V C 2.430 178.259 176.094 -0.442 0.000 1.051 473 V CA 2.231 64.091 62.300 -0.733 0.000 1.036 473 V CB -0.720 30.581 31.823 -0.869 0.000 0.654 473 V HN 0.180 nan 8.190 nan 0.000 0.451 474 M N 0.299 119.735 119.600 -0.273 0.000 2.279 474 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 474 M C 2.349 178.550 176.300 -0.165 0.000 1.062 474 M CA 2.104 57.305 55.300 -0.165 0.000 1.099 474 M CB -1.388 31.161 32.600 -0.084 0.000 1.394 474 M HN 0.642 nan 8.290 nan 0.000 0.426 475 S N -0.986 114.602 115.700 -0.187 0.000 2.562 475 S HA 0.014 4.484 4.470 -0.000 0.000 0.221 475 S C 1.506 175.985 174.600 -0.202 0.000 0.975 475 S CA 0.466 58.575 58.200 -0.151 0.000 0.918 475 S CB 0.080 63.228 63.200 -0.085 0.000 0.772 475 S HN 0.357 nan 8.310 nan 0.000 0.531 476 E N 0.763 120.779 120.200 -0.307 0.000 2.372 476 E HA 0.359 4.709 4.350 -0.000 0.000 0.201 476 E C 0.354 176.833 176.600 -0.201 0.000 0.938 476 E CA -0.128 56.103 56.400 -0.283 0.000 0.944 476 E CB 0.104 29.482 29.700 -0.537 0.000 0.937 476 E HN 0.563 nan 8.360 nan 0.000 0.495 477 I N 2.467 122.904 120.570 -0.221 0.000 2.683 477 I HA -0.102 4.068 4.170 -0.000 0.000 0.286 477 I C 0.468 176.474 176.117 -0.184 0.000 1.175 477 I CA 0.770 61.980 61.300 -0.149 0.000 1.429 477 I CB 0.290 38.223 38.000 -0.111 0.000 1.371 477 I HN -0.354 nan 8.210 nan 0.000 0.569 478 K N 7.783 128.058 120.400 -0.208 0.000 2.316 478 K HA 0.513 4.833 4.320 -0.000 0.000 0.267 478 K C -1.113 175.237 176.600 -0.417 0.000 1.025 478 K CA -0.467 55.562 56.287 -0.430 0.000 0.896 478 K CB 1.201 33.311 32.500 -0.649 0.000 1.124 478 K HN 0.471 nan 8.250 nan 0.000 0.451 479 L N 4.678 125.690 121.223 -0.351 0.000 2.262 479 L HA 0.391 4.731 4.340 -0.000 0.000 0.288 479 L C -0.596 176.127 176.870 -0.245 0.000 1.035 479 L CA -0.935 53.792 54.840 -0.188 0.000 0.820 479 L CB 0.112 42.126 42.059 -0.074 0.000 1.204 479 L HN 0.489 nan 8.230 nan 0.000 0.424 480 Y N 1.131 121.462 120.300 0.051 0.000 2.335 480 Y HA 0.096 4.646 4.550 -0.000 0.000 0.323 480 Y C 1.262 177.178 175.900 0.026 0.000 1.224 480 Y CA -0.556 57.557 58.100 0.021 0.000 1.241 480 Y CB 1.019 39.487 38.460 0.015 0.000 1.235 480 Y HN 0.530 nan 8.280 nan 0.000 0.492 481 D N 0.817 121.330 120.400 0.189 0.000 2.190 481 D HA -0.187 4.453 4.640 -0.000 0.000 0.200 481 D C 1.284 177.639 176.300 0.093 0.000 0.992 481 D CA 1.743 55.804 54.000 0.101 0.000 0.854 481 D CB -0.260 40.583 40.800 0.070 0.000 0.936 481 D HN 0.710 nan 8.370 nan 0.000 0.462 482 D N -1.220 119.247 120.400 0.112 0.000 2.336 482 D HA 0.103 4.743 4.640 -0.000 0.000 0.229 482 D C 1.417 177.797 176.300 0.134 0.000 1.061 482 D CA 0.795 54.848 54.000 0.089 0.000 0.875 482 D CB -0.255 40.574 40.800 0.047 0.000 0.904 482 D HN 0.208 nan 8.370 nan 0.000 0.525 483 G N -0.187 108.713 108.800 0.166 0.000 2.157 483 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 483 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 483 G C 0.523 175.607 174.900 0.307 0.000 0.979 483 G CA 0.549 45.772 45.100 0.205 0.000 0.650 483 G HN 0.762 nan 8.290 nan 0.000 0.529 484 T N -1.085 113.651 114.554 0.304 0.000 2.810 484 T HA 0.782 5.132 4.350 -0.000 0.000 0.277 484 T C 0.003 175.029 174.700 0.543 0.000 0.973 484 T CA 0.107 62.426 62.100 0.366 0.000 0.949 484 T CB 1.968 70.944 68.868 0.181 0.000 1.075 484 T HN 1.603 nan 8.240 nan 0.000 0.537 485 F N -2.029 118.135 119.950 0.355 0.000 2.686 485 F HA 0.849 5.376 4.527 0.000 0.000 0.311 485 F C -1.310 174.648 175.800 0.263 0.000 1.128 485 F CA -1.492 56.648 58.000 0.233 0.000 0.946 485 F CB 1.024 40.112 39.000 0.147 0.000 1.336 485 F HN 0.941 nan 8.300 nan 0.000 0.457 486 A N 2.040 124.862 122.820 0.004 0.000 2.572 486 A HA 0.852 5.172 4.320 -0.000 0.000 0.295 486 A C -1.397 176.258 177.584 0.118 0.000 1.072 486 A CA -0.594 51.379 52.037 -0.106 0.000 0.691 486 A CB 1.606 20.621 19.000 0.025 0.000 1.291 486 A HN 1.408 nan 8.150 nan 0.000 0.404 487 I N -1.589 119.054 120.570 0.122 0.000 2.934 487 I HA 0.725 4.895 4.170 -0.000 0.000 0.306 487 I C -2.967 173.072 176.117 -0.128 0.000 1.110 487 I CA -3.119 58.193 61.300 0.021 0.000 1.019 487 I CB 2.270 40.303 38.000 0.055 0.000 1.227 487 I HN 0.234 nan 8.210 nan 0.000 0.434 488 P HA 0.069 nan 4.420 nan 0.000 0.265 488 P C 0.067 177.087 177.300 -0.466 0.000 1.193 488 P CA 0.128 62.763 63.100 -0.774 0.000 0.765 488 P CB 0.839 31.816 31.700 -1.205 0.000 0.823 489 S N 0.525 116.099 115.700 -0.210 0.000 2.641 489 S HA 0.164 4.634 4.470 -0.000 0.000 0.239 489 S C 0.257 174.968 174.600 0.185 0.000 1.081 489 S CA 0.053 58.297 58.200 0.073 0.000 0.904 489 S CB -0.101 63.173 63.200 0.123 0.000 0.803 489 S HN 0.278 nan 8.310 nan 0.000 0.510 490 D N 1.346 121.790 120.400 0.073 0.000 2.248 490 D HA 0.696 5.336 4.640 -0.000 0.000 0.246 490 D C -1.217 175.133 176.300 0.084 0.000 1.027 490 D CA -0.327 53.758 54.000 0.143 0.000 0.853 490 D CB 1.831 42.693 40.800 0.103 0.000 1.243 490 D HN 0.082 nan 8.370 nan 0.000 0.462 491 L N 1.163 122.501 121.223 0.191 0.000 2.354 491 L HA 0.451 4.791 4.340 -0.000 0.000 0.269 491 L C -0.020 176.877 176.870 0.045 0.000 1.005 491 L CA -0.629 54.262 54.840 0.085 0.000 0.819 491 L CB 1.665 43.880 42.059 0.260 0.000 1.311 491 L HN 0.365 nan 8.230 nan 0.000 0.423 492 E N 1.213 121.306 120.200 -0.178 0.000 2.293 492 E HA 0.464 4.814 4.350 -0.000 0.000 0.270 492 E C -1.937 174.521 176.600 -0.237 0.000 0.879 492 E CA -0.533 55.843 56.400 -0.040 0.000 0.756 492 E CB 1.611 31.325 29.700 0.023 0.000 1.208 492 E HN 0.485 nan 8.360 nan 0.000 0.428 493 W N 1.655 123.041 121.300 0.144 0.000 2.819 493 W HA 0.472 5.132 4.660 0.000 0.000 0.337 493 W C -0.420 176.153 176.519 0.089 0.000 1.077 493 W CA -0.429 56.966 57.345 0.084 0.000 1.226 493 W CB 2.122 31.590 29.460 0.012 0.000 1.419 493 W HN 0.481 nan 8.180 nan 0.000 0.502 494 S N 1.456 117.350 115.700 0.323 0.000 2.579 494 S HA 0.894 5.364 4.470 -0.000 0.000 0.272 494 S C -0.028 174.682 174.600 0.183 0.000 1.141 494 S CA -0.255 58.084 58.200 0.233 0.000 0.843 494 S CB 1.370 64.677 63.200 0.178 0.000 1.122 494 S HN 1.701 nan 8.310 nan 0.000 0.468 495 G N 1.153 110.032 108.800 0.132 0.000 2.645 495 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.246 495 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.246 495 G C -1.020 173.848 174.900 -0.054 0.000 1.322 495 G CA -0.024 45.103 45.100 0.046 0.000 0.898 495 G HN 1.031 nan 8.290 nan 0.000 0.573 496 Q N 0.147 119.819 119.800 -0.212 0.000 2.456 496 Q HA 0.545 4.885 4.340 -0.000 0.000 0.283 496 Q C -2.483 173.177 176.000 -0.566 0.000 1.084 496 Q CA -1.702 53.776 55.803 -0.541 0.000 0.801 496 Q CB 3.216 31.770 28.738 -0.308 0.000 1.434 496 Q HN 0.584 nan 8.270 nan 0.000 0.419 497 P HA 0.011 nan 4.420 nan 0.000 0.272 497 P C -0.903 176.250 177.300 -0.247 0.000 1.240 497 P CA -0.174 62.565 63.100 -0.601 0.000 0.791 497 P CB 0.646 31.687 31.700 -1.097 0.000 0.978 498 D N 0.279 120.642 120.400 -0.062 0.000 2.372 498 D HA 0.073 4.713 4.640 -0.000 0.000 0.243 498 D C 0.316 176.819 176.300 0.339 0.000 1.121 498 D CA 0.377 54.423 54.000 0.077 0.000 0.898 498 D CB 0.056 40.877 40.800 0.034 0.000 1.202 498 D HN 0.223 nan 8.370 nan 0.000 0.428 499 T N 1.825 116.558 114.554 0.298 0.000 2.891 499 T HA -0.137 4.213 4.350 -0.000 0.000 0.296 499 T C 0.337 175.249 174.700 0.353 0.000 1.025 499 T CA 0.029 62.350 62.100 0.368 0.000 1.149 499 T CB 0.240 69.206 68.868 0.164 0.000 1.007 499 T HN 0.252 nan 8.240 nan 0.000 0.528 500 W N 3.177 124.514 121.300 0.062 0.000 2.308 500 W HA 0.119 4.779 4.660 -0.000 0.000 0.324 500 W C 0.297 176.726 176.519 -0.151 0.000 1.387 500 W CA -0.062 57.247 57.345 -0.061 0.000 1.250 500 W CB 0.507 29.779 29.460 -0.313 0.000 1.257 500 W HN 0.575 nan 8.180 nan 0.000 0.554 501 T N 3.669 117.759 114.554 -0.774 0.000 3.209 501 T HA 0.209 4.559 4.350 -0.000 0.000 0.295 501 T C 0.958 175.169 174.700 -0.815 0.000 0.977 501 T CA 0.517 62.241 62.100 -0.626 0.000 0.922 501 T CB -0.142 68.517 68.868 -0.348 0.000 1.152 501 T HN 0.841 nan 8.240 nan 0.000 0.527 502 G N 1.435 109.336 108.800 -1.497 0.000 2.217 502 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.246 502 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.246 502 G C 0.220 174.647 174.900 -0.789 0.000 0.990 502 G CA 0.354 44.924 45.100 -0.884 0.000 0.627 502 G HN 0.577 nan 8.290 nan 0.000 0.522 503 T N -0.070 113.895 114.554 -0.983 0.000 2.916 503 T HA 0.477 4.827 4.350 -0.000 0.000 0.298 503 T C -0.994 173.610 174.700 -0.159 0.000 1.031 503 T CA -0.541 61.341 62.100 -0.364 0.000 0.993 503 T CB 2.176 70.936 68.868 -0.181 0.000 1.045 503 T HN 0.466 nan 8.240 nan 0.000 0.454 504 Y N 3.200 123.570 120.300 0.117 0.000 2.569 504 Y HA 0.223 4.773 4.550 -0.000 0.000 0.332 504 Y C 1.762 177.721 175.900 0.097 0.000 1.120 504 Y CA -0.098 58.153 58.100 0.252 0.000 1.416 504 Y CB 0.679 39.299 38.460 0.266 0.000 1.210 504 Y HN 0.811 nan 8.280 nan 0.000 0.528 505 T N 1.090 115.401 114.554 -0.406 0.000 3.081 505 T HA 0.252 4.602 4.350 -0.000 0.000 0.250 505 T C 1.443 175.765 174.700 -0.631 0.000 1.100 505 T CA 0.507 62.366 62.100 -0.401 0.000 1.038 505 T CB -0.316 68.416 68.868 -0.228 0.000 0.962 505 T HN 1.265 nan 8.240 nan 0.000 0.516 506 G N 1.901 109.852 108.800 -1.415 0.000 2.217 506 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.246 506 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.246 506 G C 0.256 174.898 174.900 -0.430 0.000 0.990 506 G CA -0.095 44.506 45.100 -0.832 0.000 0.627 506 G HN 0.607 nan 8.290 nan 0.000 0.522 507 N N -0.345 118.114 118.700 -0.402 0.000 2.689 507 N HA -0.153 4.587 4.740 -0.000 0.000 0.263 507 N C -0.902 174.467 175.510 -0.236 0.000 0.987 507 N CA 1.303 54.209 53.050 -0.241 0.000 0.782 507 N CB -0.404 37.974 38.487 -0.182 0.000 0.903 507 N HN 0.485 nan 8.380 nan 0.000 0.547 508 P HA -0.119 nan 4.420 nan 0.000 0.223 508 P C 0.396 177.573 177.300 -0.204 0.000 1.144 508 P CA 1.298 64.310 63.100 -0.146 0.000 0.783 508 P CB 0.168 31.823 31.700 -0.075 0.000 0.771 509 N N -1.332 117.228 118.700 -0.235 0.000 2.205 509 N HA 0.099 4.839 4.740 -0.000 0.000 0.201 509 N C -0.023 175.269 175.510 -0.364 0.000 1.128 509 N CA -0.373 52.555 53.050 -0.204 0.000 0.867 509 N CB 0.101 38.545 38.487 -0.072 0.000 0.996 509 N HN 0.026 nan 8.380 nan 0.000 0.503 510 L N 2.049 122.980 121.223 -0.488 0.000 2.257 510 L HA 0.278 4.618 4.340 -0.000 0.000 0.290 510 L C -1.012 175.555 176.870 -0.505 0.000 1.044 510 L CA -0.387 54.220 54.840 -0.388 0.000 0.810 510 L CB 0.064 41.921 42.059 -0.337 0.000 1.193 510 L HN 0.132 nan 8.230 nan 0.000 0.425 511 H N 3.970 123.054 119.070 0.024 0.000 2.637 511 H HA 0.533 5.089 4.556 0.000 0.000 0.363 511 H C -1.002 174.261 175.328 -0.109 0.000 1.131 511 H CA -0.661 55.367 56.048 -0.035 0.000 1.183 511 H CB 2.417 32.159 29.762 -0.034 0.000 1.637 511 H HN 0.435 nan 8.280 nan 0.000 0.531 512 V N 3.062 122.840 119.914 -0.227 0.000 2.628 512 V HA 0.507 4.627 4.120 -0.000 0.000 0.306 512 V C -0.499 175.430 176.094 -0.276 0.000 1.045 512 V CA -0.689 61.214 62.300 -0.662 0.000 0.905 512 V CB 2.259 33.318 31.823 -1.274 0.000 0.997 512 V HN 0.791 nan 8.190 nan 0.000 0.436 513 R N 4.288 124.630 120.500 -0.263 0.000 2.628 513 R HA 0.682 5.022 4.340 -0.000 0.000 0.288 513 R C -1.821 174.418 176.300 -0.103 0.000 0.980 513 R CA -0.579 55.463 56.100 -0.096 0.000 0.891 513 R CB 2.206 32.468 30.300 -0.063 0.000 1.188 513 R HN 0.575 nan 8.270 nan 0.000 0.450 514 V N 4.061 123.935 119.914 -0.068 0.000 2.455 514 V HA 0.119 4.238 4.120 -0.000 0.000 0.273 514 V C 1.237 177.214 176.094 -0.195 0.000 1.045 514 V CA 0.155 62.340 62.300 -0.192 0.000 0.976 514 V CB 1.162 32.766 31.823 -0.366 0.000 0.993 514 V HN 1.049 nan 8.190 nan 0.000 0.475 515 T N -0.308 114.142 114.554 -0.173 0.000 3.001 515 T HA 0.222 4.572 4.350 -0.000 0.000 0.251 515 T C 0.556 175.202 174.700 -0.089 0.000 1.040 515 T CA 0.429 62.479 62.100 -0.083 0.000 0.985 515 T CB 0.265 69.123 68.868 -0.016 0.000 1.011 515 T HN 0.774 nan 8.240 nan 0.000 0.509 516 S N -0.376 115.196 115.700 -0.214 0.000 2.596 516 S HA 0.726 5.196 4.470 -0.000 0.000 0.270 516 S C -1.970 172.397 174.600 -0.388 0.000 1.155 516 S CA -1.024 57.091 58.200 -0.141 0.000 0.827 516 S CB 1.229 64.420 63.200 -0.015 0.000 1.130 516 S HN 0.231 nan 8.310 nan 0.000 0.467 517 Y N -0.317 119.962 120.300 -0.034 0.000 2.562 517 Y HA 0.873 5.423 4.550 -0.000 0.000 0.343 517 Y C 0.949 176.822 175.900 -0.045 0.000 1.025 517 Y CA 0.005 58.065 58.100 -0.066 0.000 1.082 517 Y CB 2.397 40.815 38.460 -0.070 0.000 1.264 517 Y HN 1.230 nan 8.280 nan 0.000 0.478 518 G N -0.670 108.182 108.800 0.086 0.000 2.753 518 G HA2 0.419 4.379 3.960 -0.000 0.000 0.303 518 G HA3 0.419 4.379 3.960 -0.000 0.000 0.303 518 G C -0.773 174.076 174.900 -0.085 0.000 1.242 518 G CA -0.484 44.625 45.100 0.015 0.000 0.810 518 G HN 0.411 nan 8.290 nan 0.000 0.515 519 T N 0.406 114.892 114.554 -0.114 0.000 3.475 519 T HA 0.201 4.551 4.350 -0.000 0.000 0.310 519 T C -0.434 174.160 174.700 -0.176 0.000 0.963 519 T CA -0.255 61.668 62.100 -0.295 0.000 0.985 519 T CB -0.279 68.416 68.868 -0.288 0.000 1.198 519 T HN 0.457 nan 8.240 nan 0.000 0.508 520 D N 1.984 122.374 120.400 -0.016 0.000 2.502 520 D HA 0.007 4.647 4.640 -0.000 0.000 0.249 520 D C 1.337 177.584 176.300 -0.088 0.000 1.188 520 D CA 0.297 54.298 54.000 0.002 0.000 0.890 520 D CB 0.716 41.611 40.800 0.157 0.000 1.140 520 D HN 0.404 nan 8.370 nan 0.000 0.505 521 L N 3.699 124.741 121.223 -0.302 0.000 2.109 521 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 521 L C 2.578 179.203 176.870 -0.409 0.000 1.086 521 L CA 0.953 55.629 54.840 -0.275 0.000 0.760 521 L CB -0.365 41.567 42.059 -0.213 0.000 0.910 521 L HN 0.487 nan 8.230 nan 0.000 0.437 522 G N 0.028 108.161 108.800 -1.112 0.000 2.421 522 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 522 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 522 G C 1.566 176.535 174.900 0.116 0.000 1.171 522 G CA 0.956 45.606 45.100 -0.751 0.000 0.775 522 G HN 0.181 nan 8.290 nan 0.000 0.543 523 V N 1.449 121.440 119.914 0.128 0.000 2.427 523 V HA -0.049 4.071 4.120 -0.000 0.000 0.248 523 V C 3.269 179.501 176.094 0.230 0.000 1.051 523 V CA 1.768 64.213 62.300 0.241 0.000 1.048 523 V CB -0.734 31.208 31.823 0.199 0.000 0.666 523 V HN 0.471 nan 8.190 nan 0.000 0.456 524 A N 0.908 123.823 122.820 0.159 0.000 1.877 524 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 524 A C 2.457 180.098 177.584 0.094 0.000 1.186 524 A CA 1.966 54.074 52.037 0.117 0.000 0.620 524 A CB -1.330 17.699 19.000 0.048 0.000 0.822 524 A HN 0.503 nan 8.150 nan 0.000 0.443 525 G N -0.859 107.998 108.800 0.096 0.000 2.476 525 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 525 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 525 G C 1.967 176.991 174.900 0.207 0.000 1.164 525 G CA 1.637 46.811 45.100 0.124 0.000 0.768 525 G HN 0.589 nan 8.290 nan 0.000 0.560 526 S N -0.379 115.517 115.700 0.327 0.000 2.402 526 S HA -0.030 4.440 4.470 -0.000 0.000 0.229 526 S C 2.275 177.084 174.600 0.348 0.000 1.021 526 S CA 1.196 59.648 58.200 0.420 0.000 0.974 526 S CB -0.222 63.365 63.200 0.644 0.000 0.800 526 S HN 0.209 nan 8.310 nan 0.000 0.484 527 L N 1.693 123.102 121.223 0.310 0.000 2.109 527 L HA 0.250 4.589 4.340 -0.000 0.000 0.207 527 L C 2.434 179.451 176.870 0.245 0.000 1.086 527 L CA 1.800 56.835 54.840 0.324 0.000 0.760 527 L CB -1.176 41.070 42.059 0.311 0.000 0.910 527 L HN 0.312 nan 8.230 nan 0.000 0.437 528 A N -0.303 122.614 122.820 0.163 0.000 1.877 528 A HA -0.251 4.068 4.320 -0.000 0.000 0.216 528 A C 2.226 179.888 177.584 0.129 0.000 1.186 528 A CA 1.711 53.807 52.037 0.100 0.000 0.620 528 A CB -0.968 18.051 19.000 0.031 0.000 0.822 528 A HN 0.588 nan 8.150 nan 0.000 0.443 529 N N 0.763 119.553 118.700 0.150 0.000 2.061 529 N HA -0.176 4.564 4.740 -0.000 0.000 0.193 529 N C 1.819 177.451 175.510 0.204 0.000 1.030 529 N CA 2.187 55.332 53.050 0.158 0.000 0.856 529 N CB -0.520 38.071 38.487 0.172 0.000 1.023 529 N HN 0.373 nan 8.380 nan 0.000 0.424 530 A N 0.935 123.908 122.820 0.255 0.000 1.877 530 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 530 A C 2.602 180.376 177.584 0.316 0.000 1.186 530 A CA 1.179 53.381 52.037 0.274 0.000 0.620 530 A CB -0.832 18.367 19.000 0.331 0.000 0.822 530 A HN 0.371 nan 8.150 nan 0.000 0.443 531 L N -0.997 120.413 121.223 0.312 0.000 2.093 531 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 531 L C 3.028 180.077 176.870 0.298 0.000 1.085 531 L CA 0.917 55.954 54.840 0.328 0.000 0.755 531 L CB -0.392 41.801 42.059 0.225 0.000 0.904 531 L HN 0.446 nan 8.230 nan 0.000 0.435 532 A N -0.733 122.219 122.820 0.219 0.000 1.897 532 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 532 A C 2.349 180.093 177.584 0.266 0.000 1.181 532 A CA 1.963 54.146 52.037 0.243 0.000 0.620 532 A CB -0.748 18.381 19.000 0.215 0.000 0.821 532 A HN 0.322 nan 8.150 nan 0.000 0.443 533 T N -1.222 113.439 114.554 0.179 0.000 2.708 533 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 533 T C 1.804 176.574 174.700 0.116 0.000 1.037 533 T CA 1.735 63.865 62.100 0.050 0.000 1.146 533 T CB -0.462 68.450 68.868 0.074 0.000 0.865 533 T HN 0.603 nan 8.240 nan 0.000 0.435 534 Y N 2.389 122.770 120.300 0.135 0.000 2.128 534 Y HA -0.086 4.464 4.550 0.000 0.000 0.284 534 Y C 2.482 178.501 175.900 0.197 0.000 1.154 534 Y CA 0.976 59.190 58.100 0.191 0.000 1.149 534 Y CB -0.936 37.650 38.460 0.210 0.000 0.976 534 Y HN 0.167 nan 8.280 nan 0.000 0.505 535 A N 1.159 123.962 122.820 -0.029 0.000 1.873 535 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 535 A C 2.513 180.144 177.584 0.078 0.000 1.193 535 A CA 2.559 54.558 52.037 -0.063 0.000 0.629 535 A CB -1.726 17.334 19.000 0.101 0.000 0.826 535 A HN 0.729 nan 8.150 nan 0.000 0.447 536 A N -0.383 122.525 122.820 0.146 0.000 1.948 536 A HA 0.069 4.389 4.320 -0.000 0.000 0.220 536 A C 2.479 179.958 177.584 -0.175 0.000 1.177 536 A CA 2.406 54.354 52.037 -0.148 0.000 0.636 536 A CB -0.976 17.662 19.000 -0.603 0.000 0.815 536 A HN 1.151 nan 8.150 nan 0.000 0.449 537 A N -0.351 122.402 122.820 -0.112 0.000 1.898 537 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 537 A C 2.441 180.039 177.584 0.022 0.000 1.181 537 A CA 2.404 54.428 52.037 -0.022 0.000 0.620 537 A CB -1.427 17.653 19.000 0.133 0.000 0.819 537 A HN 0.800 nan 8.150 nan 0.000 0.442 538 T N -1.821 112.706 114.554 -0.044 0.000 2.803 538 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 538 T C 1.707 176.404 174.700 -0.005 0.000 1.052 538 T CA 1.666 63.760 62.100 -0.011 0.000 1.136 538 T CB -0.312 68.455 68.868 -0.168 0.000 0.864 538 T HN 0.630 nan 8.240 nan 0.000 0.467 539 E N 1.023 121.197 120.200 -0.043 0.000 2.046 539 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 539 E C 2.553 179.072 176.600 -0.135 0.000 0.982 539 E CA 0.568 56.939 56.400 -0.048 0.000 0.800 539 E CB -0.106 29.587 29.700 -0.011 0.000 0.756 539 E HN 0.533 nan 8.360 nan 0.000 0.449 540 R N -0.754 119.592 120.500 -0.256 0.000 2.073 540 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 540 R C 1.402 177.338 176.300 -0.606 0.000 1.134 540 R CA 2.046 57.822 56.100 -0.541 0.000 0.952 540 R CB -0.142 29.669 30.300 -0.815 0.000 0.850 540 R HN 0.273 nan 8.270 nan 0.000 0.433 541 W N -0.733 120.498 121.300 -0.116 0.000 2.842 541 W HA 0.243 4.902 4.660 -0.000 0.000 0.267 541 W C 1.352 177.865 176.519 -0.011 0.000 1.219 541 W CA -0.321 56.968 57.345 -0.094 0.000 1.458 541 W CB 0.634 29.969 29.460 -0.208 0.000 1.006 541 W HN 0.070 nan 8.180 nan 0.000 0.603 542 E N -0.024 120.296 120.200 0.201 0.000 2.481 542 E HA 0.201 4.551 4.350 -0.000 0.000 0.198 542 E C 1.575 178.237 176.600 0.103 0.000 1.027 542 E CA 0.444 56.947 56.400 0.173 0.000 0.900 542 E CB 0.406 30.219 29.700 0.187 0.000 0.993 542 E HN 0.205 nan 8.360 nan 0.000 0.482 543 G N 2.614 111.452 108.800 0.063 0.000 2.153 543 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.252 543 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.252 543 G C 0.187 175.108 174.900 0.036 0.000 0.994 543 G CA 0.788 45.911 45.100 0.038 0.000 0.698 543 G HN 0.177 nan 8.290 nan 0.000 0.521 544 K N -0.353 120.070 120.400 0.039 0.000 2.635 544 K HA 0.358 4.678 4.320 -0.000 0.000 0.266 544 K C -0.578 176.040 176.600 0.031 0.000 1.033 544 K CA -0.994 55.316 56.287 0.038 0.000 0.919 544 K CB 0.892 33.422 32.500 0.050 0.000 1.289 544 K HN 0.387 nan 8.250 nan 0.000 0.463 545 L N 4.062 125.304 121.223 0.031 0.000 2.462 545 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 545 L C -0.053 176.827 176.870 0.015 0.000 1.166 545 L CA 0.603 55.464 54.840 0.035 0.000 0.880 545 L CB 0.518 42.621 42.059 0.074 0.000 1.142 545 L HN 0.527 nan 8.230 nan 0.000 0.473 546 D N 3.630 124.016 120.400 -0.023 0.000 2.359 546 D HA -0.000 4.640 4.640 -0.000 0.000 0.250 546 D C 0.691 176.986 176.300 -0.008 0.000 1.264 546 D CA 0.165 54.164 54.000 -0.001 0.000 0.911 546 D CB 1.131 41.926 40.800 -0.008 0.000 1.056 546 D HN 0.771 nan 8.370 nan 0.000 0.499 547 T N 3.563 118.115 114.554 -0.003 0.000 2.857 547 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 547 T C 1.820 176.497 174.700 -0.038 0.000 1.048 547 T CA 0.785 62.863 62.100 -0.037 0.000 1.139 547 T CB 0.254 69.112 68.868 -0.016 0.000 0.874 547 T HN 0.390 nan 8.240 nan 0.000 0.455 548 K N 1.337 121.741 120.400 0.007 0.000 2.057 548 K HA 0.033 4.353 4.320 -0.000 0.000 0.207 548 K C 2.530 179.144 176.600 0.023 0.000 1.049 548 K CA 1.254 57.549 56.287 0.014 0.000 0.931 548 K CB -0.400 32.122 32.500 0.038 0.000 0.714 548 K HN 0.326 nan 8.250 nan 0.000 0.440 549 A N 1.911 124.777 122.820 0.078 0.000 1.898 549 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 549 A C 2.253 179.847 177.584 0.017 0.000 1.181 549 A CA 1.228 53.342 52.037 0.129 0.000 0.620 549 A CB -0.444 18.773 19.000 0.362 0.000 0.819 549 A HN 0.237 nan 8.150 nan 0.000 0.442 550 R N -0.218 120.221 120.500 -0.102 0.000 2.073 550 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 550 R C 1.292 177.446 176.300 -0.243 0.000 1.134 550 R CA 1.996 57.901 56.100 -0.324 0.000 0.952 550 R CB -0.420 29.515 30.300 -0.607 0.000 0.850 550 R HN 0.432 nan 8.270 nan 0.000 0.433 551 D N 0.420 120.727 120.400 -0.155 0.000 2.117 551 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 551 D C 1.793 178.050 176.300 -0.071 0.000 0.982 551 D CA 1.181 55.119 54.000 -0.103 0.000 0.828 551 D CB -0.206 40.551 40.800 -0.071 0.000 0.967 551 D HN 0.208 nan 8.370 nan 0.000 0.464 552 M N 1.186 120.757 119.600 -0.049 0.000 2.159 552 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 552 M C 1.904 178.180 176.300 -0.039 0.000 1.063 552 M CA 1.232 56.511 55.300 -0.035 0.000 1.110 552 M CB -0.429 32.162 32.600 -0.015 0.000 1.374 552 M HN -0.033 nan 8.290 nan 0.000 0.411 553 A N -0.252 122.545 122.820 -0.038 0.000 1.940 553 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 553 A C 2.366 179.891 177.584 -0.098 0.000 1.176 553 A CA 2.111 54.123 52.037 -0.042 0.000 0.631 553 A CB -1.395 17.591 19.000 -0.022 0.000 0.814 553 A HN 0.648 nan 8.150 nan 0.000 0.446 554 A N -0.494 122.253 122.820 -0.121 0.000 1.898 554 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 554 A C 1.935 179.516 177.584 -0.005 0.000 1.181 554 A CA 1.450 53.424 52.037 -0.105 0.000 0.620 554 A CB -0.422 18.552 19.000 -0.043 0.000 0.819 554 A HN 0.494 nan 8.150 nan 0.000 0.442 555 E N 0.131 120.317 120.200 -0.023 0.000 2.085 555 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 555 E C 2.034 178.605 176.600 -0.049 0.000 0.994 555 E CA 1.280 57.670 56.400 -0.016 0.000 0.801 555 E CB -0.430 29.253 29.700 -0.029 0.000 0.743 555 E HN 0.669 nan 8.360 nan 0.000 0.453 556 L N 0.402 121.560 121.223 -0.109 0.000 2.056 556 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 556 L C 2.602 179.378 176.870 -0.157 0.000 1.078 556 L CA 0.646 55.338 54.840 -0.247 0.000 0.749 556 L CB -0.403 41.535 42.059 -0.202 0.000 0.901 556 L HN -0.024 nan 8.230 nan 0.000 0.433 557 V N 0.078 119.976 119.914 -0.026 0.000 2.261 557 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 557 V C 2.247 178.511 176.094 0.284 0.000 1.047 557 V CA 1.866 64.222 62.300 0.093 0.000 1.015 557 V CB -0.690 31.148 31.823 0.026 0.000 0.642 557 V HN 0.476 nan 8.190 nan 0.000 0.446 558 N N 0.524 119.421 118.700 0.328 0.000 2.069 558 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 558 N C 1.958 177.769 175.510 0.502 0.000 1.031 558 N CA 1.599 54.958 53.050 0.514 0.000 0.852 558 N CB -0.398 38.223 38.487 0.222 0.000 1.018 558 N HN 0.484 nan 8.380 nan 0.000 0.423 559 R N 0.422 121.090 120.500 0.281 0.000 2.115 559 R HA 0.146 4.486 4.340 -0.000 0.000 0.226 559 R C 2.151 178.720 176.300 0.448 0.000 1.100 559 R CA 0.928 57.232 56.100 0.340 0.000 0.980 559 R CB -0.185 30.254 30.300 0.231 0.000 0.875 559 R HN 0.187 nan 8.270 nan 0.000 0.445 560 A N 1.060 124.039 122.820 0.264 0.000 1.898 560 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 560 A C 1.837 179.777 177.584 0.594 0.000 1.181 560 A CA 0.874 53.181 52.037 0.450 0.000 0.620 560 A CB -0.774 18.345 19.000 0.198 0.000 0.819 560 A HN 0.607 nan 8.150 nan 0.000 0.442 561 W N -0.930 120.574 121.300 0.340 0.000 2.443 561 W HA -0.171 4.489 4.660 -0.000 0.000 0.296 561 W C 1.982 178.718 176.519 0.361 0.000 1.202 561 W CA 1.709 59.243 57.345 0.316 0.000 1.312 561 W CB -0.414 29.182 29.460 0.227 0.000 1.120 561 W HN 0.468 nan 8.180 nan 0.000 0.536 562 Y N 2.454 122.967 120.300 0.355 0.000 2.114 562 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 562 Y C 2.211 178.128 175.900 0.028 0.000 1.143 562 Y CA 2.373 60.582 58.100 0.182 0.000 1.135 562 Y CB -1.033 37.610 38.460 0.304 0.000 0.980 562 Y HN -0.104 nan 8.280 nan 0.000 0.499 563 N N -1.058 117.621 118.700 -0.034 0.000 2.467 563 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 563 N C -0.050 175.000 175.510 -0.766 0.000 1.106 563 N CA 0.750 53.513 53.050 -0.478 0.000 0.892 563 N CB 0.028 38.280 38.487 -0.391 0.000 0.969 563 N HN 0.347 nan 8.380 nan 0.000 0.454 564 F N -0.797 119.153 119.950 -0.000 0.000 2.815 564 F HA 0.201 4.728 4.527 -0.000 0.000 0.323 564 F C 0.063 175.821 175.800 -0.069 0.000 1.151 564 F CA -0.904 57.092 58.000 -0.007 0.000 1.191 564 F CB -0.221 38.820 39.000 0.068 0.000 1.069 564 F HN -0.124 nan 8.300 nan 0.000 0.514 565 Y N 1.692 121.853 120.300 -0.231 0.000 2.597 565 Y HA 0.169 4.719 4.550 -0.000 0.000 0.336 565 Y C 0.306 176.090 175.900 -0.193 0.000 1.216 565 Y CA -0.740 57.127 58.100 -0.388 0.000 1.463 565 Y CB 0.621 38.735 38.460 -0.576 0.000 1.303 565 Y HN 0.196 nan 8.280 nan 0.000 0.576 566 C N 6.529 125.463 119.300 -0.610 0.000 2.239 566 C HA 0.347 4.807 4.460 -0.000 0.000 0.325 566 C C 1.532 176.287 174.990 -0.392 0.000 1.231 566 C CA -0.102 58.722 59.018 -0.323 0.000 1.652 566 C CB -0.659 27.025 27.740 -0.094 0.000 2.284 566 C HN 1.081 nan 8.230 nan 0.000 0.499 567 S N 3.191 118.825 115.700 -0.111 0.000 2.389 567 S HA -0.182 4.288 4.470 -0.000 0.000 0.231 567 S C 1.927 176.505 174.600 -0.037 0.000 1.052 567 S CA 2.424 60.626 58.200 0.003 0.000 1.053 567 S CB -0.221 62.990 63.200 0.020 0.000 0.886 567 S HN 1.055 nan 8.310 nan 0.000 0.456 568 E N 0.161 120.319 120.200 -0.070 0.000 2.512 568 E HA 0.355 4.705 4.350 -0.000 0.000 0.195 568 E C 1.089 177.637 176.600 -0.086 0.000 1.083 568 E CA 0.654 57.016 56.400 -0.065 0.000 0.873 568 E CB -1.442 28.220 29.700 -0.065 0.000 0.897 568 E HN 0.816 nan 8.360 nan 0.000 0.514 569 G N 0.507 109.224 108.800 -0.138 0.000 2.272 569 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.280 569 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.280 569 G C 0.774 175.618 174.900 -0.093 0.000 1.067 569 G CA 0.596 45.624 45.100 -0.121 0.000 0.902 569 G HN 0.514 nan 8.290 nan 0.000 0.500 570 K N -0.687 119.641 120.400 -0.119 0.000 2.358 570 K HA 0.462 4.782 4.320 -0.000 0.000 0.200 570 K C 1.783 178.451 176.600 0.113 0.000 1.030 570 K CA 0.543 56.813 56.287 -0.028 0.000 1.097 570 K CB 0.755 33.094 32.500 -0.268 0.000 0.862 570 K HN 1.276 nan 8.250 nan 0.000 0.534 571 G N 0.988 109.782 108.800 -0.010 0.000 2.731 571 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 571 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 571 G C -0.641 174.241 174.900 -0.030 0.000 1.349 571 G CA -0.329 44.811 45.100 0.068 0.000 1.225 571 G HN 0.176 nan 8.290 nan 0.000 0.526 572 V N -1.702 118.283 119.914 0.117 0.000 3.046 572 V HA 0.966 5.086 4.120 -0.000 0.000 0.316 572 V C -0.224 175.935 176.094 0.108 0.000 1.104 572 V CA -0.307 62.046 62.300 0.090 0.000 1.006 572 V CB 1.577 33.510 31.823 0.184 0.000 1.058 572 V HN 2.044 nan 8.190 nan 0.000 0.440 573 V N 0.889 120.836 119.914 0.054 0.000 2.891 573 V HA 0.670 4.790 4.120 -0.000 0.000 0.304 573 V C -0.027 176.076 176.094 0.016 0.000 1.171 573 V CA 0.201 62.421 62.300 -0.132 0.000 0.943 573 V CB 2.622 34.295 31.823 -0.250 0.000 1.037 573 V HN 1.274 nan 8.190 nan 0.000 0.427 574 T N 4.372 118.891 114.554 -0.058 0.000 2.902 574 T HA 0.516 4.866 4.350 -0.000 0.000 0.280 574 T C -0.562 174.155 174.700 0.029 0.000 0.992 574 T CA -0.385 61.703 62.100 -0.020 0.000 1.015 574 T CB 1.336 70.183 68.868 -0.035 0.000 1.044 574 T HN 0.795 nan 8.240 nan 0.000 0.520 575 E N 1.404 121.658 120.200 0.089 0.000 2.235 575 E HA 0.296 4.646 4.350 -0.000 0.000 0.252 575 E C -1.047 175.555 176.600 0.005 0.000 0.886 575 E CA -0.615 55.807 56.400 0.037 0.000 0.767 575 E CB 0.594 30.344 29.700 0.084 0.000 1.205 575 E HN 0.747 nan 8.360 nan 0.000 0.421 576 E N 2.956 123.121 120.200 -0.060 0.000 2.263 576 E HA 0.620 4.970 4.350 -0.000 0.000 0.268 576 E C -1.234 175.302 176.600 -0.107 0.000 0.884 576 E CA -1.251 55.117 56.400 -0.053 0.000 0.766 576 E CB 1.689 31.385 29.700 -0.006 0.000 1.196 576 E HN 0.359 nan 8.360 nan 0.000 0.416 577 A N 3.777 126.546 122.820 -0.084 0.000 2.409 577 A HA 0.356 4.676 4.320 -0.000 0.000 0.262 577 A C -0.129 177.366 177.584 -0.149 0.000 1.113 577 A CA -0.684 51.287 52.037 -0.109 0.000 0.790 577 A CB 0.225 19.185 19.000 -0.067 0.000 1.046 577 A HN 0.514 nan 8.150 nan 0.000 0.496 578 R N 2.937 123.292 120.500 -0.242 0.000 2.664 578 R HA 0.340 4.680 4.340 -0.000 0.000 0.281 578 R C 1.005 177.178 176.300 -0.212 0.000 1.383 578 R CA 0.280 56.152 56.100 -0.380 0.000 1.563 578 R CB 0.239 29.917 30.300 -1.036 0.000 1.131 578 R HN 0.824 nan 8.270 nan 0.000 0.599 579 A N 1.766 124.533 122.820 -0.089 0.000 1.978 579 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 579 A C 1.576 179.160 177.584 -0.000 0.000 1.170 579 A CA 1.804 53.827 52.037 -0.023 0.000 0.636 579 A CB -0.128 18.865 19.000 -0.011 0.000 0.810 579 A HN 0.568 nan 8.150 nan 0.000 0.448 580 D N -1.444 118.960 120.400 0.008 0.000 2.309 580 D HA -0.199 4.441 4.640 -0.000 0.000 0.212 580 D C 1.189 177.484 176.300 -0.009 0.000 0.968 580 D CA 0.835 54.842 54.000 0.011 0.000 0.882 580 D CB -0.618 40.287 40.800 0.175 0.000 0.918 580 D HN 0.490 nan 8.370 nan 0.000 0.503 581 Y N 1.969 122.252 120.300 -0.029 0.000 2.574 581 Y HA -0.053 4.497 4.550 -0.000 0.000 0.294 581 Y C 2.225 178.101 175.900 -0.039 0.000 1.142 581 Y CA 0.153 58.286 58.100 0.055 0.000 1.314 581 Y CB -0.546 38.044 38.460 0.215 0.000 0.991 581 Y HN 0.246 nan 8.280 nan 0.000 0.555 582 K N 0.336 120.788 120.400 0.087 0.000 2.211 582 K HA -0.188 4.132 4.320 -0.000 0.000 0.204 582 K C 1.699 178.178 176.600 -0.202 0.000 1.047 582 K CA 1.447 57.788 56.287 0.091 0.000 0.935 582 K CB -0.369 32.234 32.500 0.173 0.000 0.728 582 K HN 0.208 nan 8.250 nan 0.000 0.452 583 R N -0.200 119.953 120.500 -0.578 0.000 2.237 583 R HA 0.007 4.347 4.340 -0.000 0.000 0.219 583 R C 1.796 177.606 176.300 -0.817 0.000 1.080 583 R CA 0.906 56.474 56.100 -0.885 0.000 0.995 583 R CB -0.367 28.946 30.300 -1.645 0.000 0.875 583 R HN 0.165 nan 8.270 nan 0.000 0.462 584 F N -0.179 119.220 119.950 -0.919 0.000 2.115 584 F HA -0.255 4.271 4.527 -0.000 0.000 0.300 584 F C 1.443 176.781 175.800 -0.770 0.000 1.092 584 F CA 1.734 59.260 58.000 -0.791 0.000 1.245 584 F CB -0.073 38.131 39.000 -1.326 0.000 0.995 584 F HN -0.026 nan 8.300 nan 0.000 0.481 585 F N -1.891 118.008 119.950 -0.084 0.000 2.694 585 F HA 0.134 4.661 4.527 -0.000 0.000 0.292 585 F C 1.832 177.554 175.800 -0.131 0.000 1.121 585 F CA 0.145 58.031 58.000 -0.191 0.000 1.352 585 F CB -0.184 38.404 39.000 -0.686 0.000 1.107 585 F HN -0.142 nan 8.300 nan 0.000 0.597 586 E N -0.283 119.904 120.200 -0.022 0.000 2.413 586 E HA -0.011 4.339 4.350 -0.000 0.000 0.203 586 E C 0.620 177.236 176.600 0.027 0.000 0.957 586 E CA -0.088 56.338 56.400 0.043 0.000 0.950 586 E CB 0.183 29.917 29.700 0.056 0.000 0.957 586 E HN 0.041 nan 8.360 nan 0.000 0.497 587 Q N 2.651 122.434 119.800 -0.029 0.000 2.324 587 Q HA 0.020 4.359 4.340 -0.000 0.000 0.257 587 Q C -0.692 175.378 176.000 0.117 0.000 1.080 587 Q CA 0.165 55.978 55.803 0.016 0.000 0.907 587 Q CB 0.467 29.183 28.738 -0.037 0.000 1.274 587 Q HN 0.008 nan 8.270 nan 0.000 0.434 588 E N 2.389 122.658 120.200 0.115 0.000 2.360 588 E HA 0.247 4.597 4.350 -0.000 0.000 0.269 588 E C -1.109 175.591 176.600 0.167 0.000 1.022 588 E CA -0.439 56.042 56.400 0.135 0.000 0.887 588 E CB 0.700 30.472 29.700 0.120 0.000 0.990 588 E HN 0.457 nan 8.360 nan 0.000 0.426 589 V N 5.268 125.280 119.914 0.163 0.000 2.435 589 V HA 0.105 4.225 4.120 -0.000 0.000 0.290 589 V C -0.492 175.690 176.094 0.147 0.000 1.030 589 V CA -0.731 61.673 62.300 0.172 0.000 0.881 589 V CB 0.795 32.705 31.823 0.145 0.000 0.983 589 V HN 0.644 nan 8.190 nan 0.000 0.445 590 Y N 5.146 125.490 120.300 0.072 0.000 2.442 590 Y HA 0.481 5.031 4.550 -0.000 0.000 0.330 590 Y C -0.236 175.661 175.900 -0.004 0.000 1.129 590 Y CA 0.163 58.289 58.100 0.043 0.000 1.365 590 Y CB 0.934 39.427 38.460 0.055 0.000 1.233 590 Y HN 0.403 nan 8.280 nan 0.000 0.529 591 V N 8.520 127.898 119.914 -0.894 0.000 2.638 591 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 591 V C -2.344 173.147 176.094 -1.005 0.000 1.052 591 V CA -2.190 59.658 62.300 -0.752 0.000 0.885 591 V CB 1.884 33.512 31.823 -0.326 0.000 0.999 591 V HN 0.713 nan 8.190 nan 0.000 0.424 592 P HA 0.223 nan 4.420 nan 0.000 0.268 592 P C -0.197 177.042 177.300 -0.101 0.000 1.204 592 P CA 0.026 62.962 63.100 -0.272 0.000 0.768 592 P CB 0.500 32.176 31.700 -0.041 0.000 0.842 593 A N 3.177 125.979 122.820 -0.030 0.000 2.584 593 A HA 0.361 4.681 4.320 -0.000 0.000 0.239 593 A C 1.608 179.217 177.584 0.043 0.000 1.043 593 A CA 0.966 53.008 52.037 0.008 0.000 0.756 593 A CB -1.455 17.562 19.000 0.028 0.000 0.963 593 A HN 0.905 nan 8.150 nan 0.000 0.511 594 G N 0.922 109.745 108.800 0.037 0.000 2.217 594 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.246 594 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.246 594 G C 0.090 175.013 174.900 0.039 0.000 0.990 594 G CA 0.349 45.465 45.100 0.027 0.000 0.627 594 G HN 1.259 nan 8.290 nan 0.000 0.522 595 W N 2.738 123.970 121.300 -0.114 0.000 2.316 595 W HA 0.610 5.270 4.660 0.000 0.000 0.311 595 W C 0.654 177.088 176.519 -0.141 0.000 1.217 595 W CA 0.288 57.547 57.345 -0.143 0.000 1.199 595 W CB 1.221 30.578 29.460 -0.171 0.000 1.202 595 W HN 0.614 nan 8.180 nan 0.000 0.528 596 S N 4.438 119.907 115.700 -0.386 0.000 2.569 596 S HA 0.972 5.442 4.470 -0.000 0.000 0.280 596 S C -0.524 173.653 174.600 -0.705 0.000 1.111 596 S CA -0.514 57.527 58.200 -0.265 0.000 0.887 596 S CB 1.948 65.048 63.200 -0.167 0.000 1.095 596 S HN 0.965 nan 8.310 nan 0.000 0.476 597 G N 0.363 108.981 108.800 -0.303 0.000 2.548 597 G HA2 0.733 4.693 3.960 -0.000 0.000 0.301 597 G HA3 0.733 4.693 3.960 -0.000 0.000 0.301 597 G C -1.138 173.738 174.900 -0.040 0.000 1.349 597 G CA -0.148 44.768 45.100 -0.306 0.000 0.792 597 G HN 1.458 nan 8.290 nan 0.000 0.481 598 T N -1.860 112.690 114.554 -0.006 0.000 2.909 598 T HA 0.655 5.005 4.350 -0.000 0.000 0.299 598 T C 0.115 174.916 174.700 0.168 0.000 1.073 598 T CA -0.907 61.235 62.100 0.070 0.000 0.999 598 T CB 1.776 70.669 68.868 0.041 0.000 1.098 598 T HN 0.491 nan 8.240 nan 0.000 0.477 599 M N 1.582 121.265 119.600 0.139 0.000 2.198 599 M HA 0.262 4.742 4.480 -0.000 0.000 0.315 599 M C -1.627 174.629 176.300 -0.074 0.000 1.134 599 M CA -2.492 52.863 55.300 0.092 0.000 1.171 599 M CB -0.147 32.438 32.600 -0.026 0.000 1.413 599 M HN 0.417 nan 8.290 nan 0.000 0.467 600 P HA -0.130 nan 4.420 nan 0.000 0.221 600 P C 0.615 177.759 177.300 -0.261 0.000 1.145 600 P CA 1.238 64.014 63.100 -0.539 0.000 0.795 600 P CB -0.068 31.037 31.700 -0.993 0.000 0.775 601 N N -1.302 117.232 118.700 -0.276 0.000 2.314 601 N HA 0.078 4.818 4.740 -0.000 0.000 0.200 601 N C 1.178 176.610 175.510 -0.131 0.000 1.135 601 N CA 0.597 53.514 53.050 -0.221 0.000 0.835 601 N CB -0.763 37.538 38.487 -0.310 0.000 0.989 601 N HN 0.146 nan 8.380 nan 0.000 0.478 602 G N -0.029 108.723 108.800 -0.080 0.000 2.176 602 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.253 602 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.253 602 G C -0.568 174.310 174.900 -0.037 0.000 0.979 602 G CA 0.141 45.217 45.100 -0.039 0.000 0.641 602 G HN 0.467 nan 8.290 nan 0.000 0.530 603 D N 1.078 121.443 120.400 -0.058 0.000 2.488 603 D HA 0.253 4.893 4.640 -0.000 0.000 0.238 603 D C 0.751 177.057 176.300 0.010 0.000 1.138 603 D CA 0.650 54.631 54.000 -0.033 0.000 0.873 603 D CB 0.613 41.383 40.800 -0.050 0.000 1.183 603 D HN 0.347 nan 8.370 nan 0.000 0.458 604 K N 2.219 122.630 120.400 0.018 0.000 2.248 604 K HA 0.327 4.647 4.320 -0.000 0.000 0.281 604 K C -0.076 176.562 176.600 0.065 0.000 1.054 604 K CA -0.457 55.850 56.287 0.033 0.000 0.903 604 K CB 0.829 33.340 32.500 0.018 0.000 1.077 604 K HN 0.288 nan 8.250 nan 0.000 0.474 605 I N 4.940 125.575 120.570 0.110 0.000 2.308 605 I HA 0.062 4.232 4.170 -0.000 0.000 0.293 605 I C 0.106 176.329 176.117 0.177 0.000 1.078 605 I CA -0.048 61.349 61.300 0.162 0.000 1.292 605 I CB 0.221 38.382 38.000 0.269 0.000 1.423 605 I HN 0.590 nan 8.210 nan 0.000 0.493 606 Q N 5.908 125.768 119.800 0.100 0.000 2.575 606 Q HA 0.581 4.921 4.340 -0.000 0.000 0.290 606 Q C -3.028 172.980 176.000 0.013 0.000 0.963 606 Q CA -2.286 53.562 55.803 0.076 0.000 0.783 606 Q CB 1.526 30.293 28.738 0.048 0.000 1.467 606 Q HN 0.118 nan 8.270 nan 0.000 0.402 607 P HA 0.084 nan 4.420 nan 0.000 0.265 607 P C 0.573 177.868 177.300 -0.008 0.000 1.187 607 P CA 1.901 64.965 63.100 -0.060 0.000 0.766 607 P CB 0.408 32.074 31.700 -0.058 0.000 0.820 608 G N 1.980 110.784 108.800 0.005 0.000 2.213 608 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.236 608 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.236 608 G C 0.280 175.214 174.900 0.057 0.000 0.991 608 G CA 0.096 45.219 45.100 0.040 0.000 0.629 608 G HN 0.692 nan 8.290 nan 0.000 0.517 609 I N -0.550 120.051 120.570 0.051 0.000 2.872 609 I HA 0.505 4.675 4.170 -0.000 0.000 0.291 609 I C 0.402 176.581 176.117 0.103 0.000 1.216 609 I CA -0.210 61.134 61.300 0.073 0.000 1.424 609 I CB 0.448 38.485 38.000 0.062 0.000 1.351 609 I HN -0.131 nan 8.210 nan 0.000 0.592 610 K N 4.119 124.594 120.400 0.126 0.000 2.139 610 K HA 0.242 4.562 4.320 -0.000 0.000 0.243 610 K C 0.348 177.071 176.600 0.205 0.000 0.983 610 K CA -0.720 55.668 56.287 0.169 0.000 0.890 610 K CB 1.174 33.779 32.500 0.174 0.000 1.090 610 K HN 0.741 nan 8.250 nan 0.000 0.445 611 F N 1.291 121.291 119.950 0.084 0.000 2.111 611 F HA -0.310 4.217 4.527 0.000 0.000 0.300 611 F C 1.866 177.737 175.800 0.118 0.000 1.088 611 F CA 1.708 59.765 58.000 0.095 0.000 1.243 611 F CB -0.092 38.966 39.000 0.098 0.000 0.996 611 F HN 0.538 nan 8.300 nan 0.000 0.483 612 I N 0.678 121.438 120.570 0.316 0.000 2.394 612 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 612 I C 1.803 178.010 176.117 0.149 0.000 1.136 612 I CA 1.586 63.061 61.300 0.291 0.000 1.425 612 I CB -0.764 37.465 38.000 0.381 0.000 1.079 612 I HN 0.083 nan 8.210 nan 0.000 0.425 613 D N 0.600 121.072 120.400 0.120 0.000 2.263 613 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 613 D C 1.826 178.142 176.300 0.026 0.000 0.971 613 D CA 1.717 55.763 54.000 0.077 0.000 0.867 613 D CB -0.150 40.700 40.800 0.084 0.000 0.929 613 D HN 0.636 nan 8.370 nan 0.000 0.492 614 I N -3.137 117.430 120.570 -0.005 0.000 3.974 614 I HA 0.299 4.469 4.170 -0.000 0.000 0.334 614 I C 0.439 176.499 176.117 -0.095 0.000 1.437 614 I CA -0.265 61.019 61.300 -0.026 0.000 1.113 614 I CB 0.431 38.443 38.000 0.021 0.000 1.063 614 I HN -0.317 nan 8.210 nan 0.000 0.400 615 R N 0.030 120.461 120.500 -0.115 0.000 2.688 615 R HA 0.255 4.595 4.340 -0.000 0.000 0.396 615 R C 0.764 177.010 176.300 -0.091 0.000 1.081 615 R CA -0.103 55.886 56.100 -0.184 0.000 1.093 615 R CB 0.470 30.720 30.300 -0.084 0.000 1.338 615 R HN 0.100 nan 8.270 nan 0.000 0.613 616 T N 1.249 115.727 114.554 -0.127 0.000 2.822 616 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 616 T C 1.551 176.175 174.700 -0.127 0.000 1.064 616 T CA 1.439 63.489 62.100 -0.084 0.000 1.131 616 T CB 0.024 68.831 68.868 -0.102 0.000 0.858 616 T HN 0.296 nan 8.240 nan 0.000 0.483 617 K N -0.164 120.065 120.400 -0.284 0.000 2.286 617 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 617 K C 1.716 178.363 176.600 0.077 0.000 1.045 617 K CA 1.017 57.159 56.287 -0.242 0.000 0.935 617 K CB -0.214 31.904 32.500 -0.636 0.000 0.737 617 K HN 0.372 nan 8.250 nan 0.000 0.460 618 Y N 1.312 121.713 120.300 0.167 0.000 2.403 618 Y HA -0.133 4.417 4.550 0.000 0.000 0.291 618 Y C 1.855 177.735 175.900 -0.032 0.000 1.143 618 Y CA 0.916 59.180 58.100 0.272 0.000 1.257 618 Y CB -0.139 38.592 38.460 0.451 0.000 0.984 618 Y HN -0.005 nan 8.280 nan 0.000 0.550 619 R N -0.478 119.905 120.500 -0.195 0.000 2.193 619 R HA -0.148 4.192 4.340 -0.000 0.000 0.229 619 R C 1.340 177.399 176.300 -0.401 0.000 1.110 619 R CA 1.047 56.645 56.100 -0.837 0.000 0.988 619 R CB -0.049 29.888 30.300 -0.604 0.000 0.871 619 R HN 0.271 nan 8.270 nan 0.000 0.458 620 Q N 0.400 120.134 119.800 -0.111 0.000 2.320 620 Q HA 0.067 4.407 4.340 -0.000 0.000 0.201 620 Q C -0.540 175.503 176.000 0.071 0.000 0.910 620 Q CA 0.257 56.047 55.803 -0.021 0.000 0.946 620 Q CB 0.028 28.758 28.738 -0.013 0.000 1.062 620 Q HN 0.257 nan 8.270 nan 0.000 0.503 621 D N 1.303 121.800 120.400 0.162 0.000 2.350 621 D HA 0.051 4.691 4.640 -0.000 0.000 0.249 621 D C -1.373 175.032 176.300 0.175 0.000 1.119 621 D CA -1.662 52.472 54.000 0.222 0.000 0.886 621 D CB 1.391 42.429 40.800 0.397 0.000 1.195 621 D HN -0.137 nan 8.370 nan 0.000 0.437 622 P HA -0.162 nan 4.420 nan 0.000 0.220 622 P C 0.272 177.611 177.300 0.066 0.000 1.144 622 P CA 1.068 64.180 63.100 0.020 0.000 0.800 622 P CB 0.093 31.732 31.700 -0.102 0.000 0.772 623 Y N -2.995 117.355 120.300 0.085 0.000 2.458 623 Y HA 0.108 4.658 4.550 0.000 0.000 0.256 623 Y C 2.129 178.069 175.900 0.066 0.000 1.159 623 Y CA -0.977 57.157 58.100 0.056 0.000 1.261 623 Y CB -0.717 37.765 38.460 0.037 0.000 1.119 623 Y HN -0.062 nan 8.280 nan 0.000 0.524 624 Y N 0.827 121.216 120.300 0.149 0.000 2.200 624 Y HA -0.224 4.326 4.550 0.000 0.000 0.290 624 Y C 1.870 177.850 175.900 0.134 0.000 1.137 624 Y CA 2.001 60.145 58.100 0.074 0.000 1.163 624 Y CB -0.077 38.441 38.460 0.097 0.000 0.988 624 Y HN 0.001 nan 8.280 nan 0.000 0.518 625 D N 0.641 121.224 120.400 0.306 0.000 2.133 625 D HA -0.250 4.390 4.640 -0.000 0.000 0.195 625 D C 2.285 178.633 176.300 0.079 0.000 0.997 625 D CA 2.037 56.157 54.000 0.200 0.000 0.840 625 D CB -0.421 40.492 40.800 0.188 0.000 0.947 625 D HN 0.480 nan 8.370 nan 0.000 0.452 626 I N 0.801 121.432 120.570 0.102 0.000 2.252 626 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 626 I C 2.635 178.748 176.117 -0.007 0.000 1.102 626 I CA 0.806 62.144 61.300 0.064 0.000 1.385 626 I CB -0.157 37.932 38.000 0.149 0.000 1.064 626 I HN -0.035 nan 8.210 nan 0.000 0.414 627 V N -0.874 119.013 119.914 -0.046 0.000 2.488 627 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 627 V C 2.399 178.505 176.094 0.020 0.000 1.046 627 V CA 1.236 63.511 62.300 -0.042 0.000 1.053 627 V CB -0.874 30.858 31.823 -0.151 0.000 0.679 627 V HN 0.404 nan 8.190 nan 0.000 0.458 628 Y N 1.801 121.919 120.300 -0.303 0.000 2.200 628 Y HA -0.126 4.424 4.550 0.000 0.000 0.290 628 Y C 2.624 178.375 175.900 -0.248 0.000 1.137 628 Y CA 2.348 60.162 58.100 -0.477 0.000 1.163 628 Y CB -0.422 37.550 38.460 -0.813 0.000 0.988 628 Y HN 0.397 nan 8.280 nan 0.000 0.518 629 Q N -0.480 119.161 119.800 -0.264 0.000 2.167 629 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 629 Q C 2.480 178.347 176.000 -0.221 0.000 0.970 629 Q CA 1.075 56.705 55.803 -0.287 0.000 0.855 629 Q CB -0.327 28.331 28.738 -0.132 0.000 0.911 629 Q HN 0.572 nan 8.270 nan 0.000 0.438 630 A N 0.692 123.440 122.820 -0.121 0.000 1.902 630 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 630 A C 1.928 179.466 177.584 -0.077 0.000 1.181 630 A CA 1.335 53.328 52.037 -0.074 0.000 0.623 630 A CB -0.805 18.186 19.000 -0.015 0.000 0.818 630 A HN 0.502 nan 8.150 nan 0.000 0.443 631 Y N 0.524 120.705 120.300 -0.197 0.000 2.224 631 Y HA -0.117 4.433 4.550 0.000 0.000 0.289 631 Y C 1.829 177.555 175.900 -0.291 0.000 1.146 631 Y CA 1.663 59.647 58.100 -0.192 0.000 1.182 631 Y CB -0.306 38.035 38.460 -0.197 0.000 0.983 631 Y HN 0.209 nan 8.280 nan 0.000 0.524 632 L N -0.015 120.853 121.223 -0.591 0.000 2.141 632 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 632 L C 1.939 178.569 176.870 -0.400 0.000 1.094 632 L CA 1.313 55.794 54.840 -0.599 0.000 0.763 632 L CB -0.346 41.376 42.059 -0.560 0.000 0.908 632 L HN 0.128 nan 8.230 nan 0.000 0.437 633 R N 0.066 120.389 120.500 -0.295 0.000 2.356 633 R HA 0.173 4.513 4.340 -0.000 0.000 0.234 633 R C 1.025 177.218 176.300 -0.178 0.000 0.929 633 R CA 0.511 56.490 56.100 -0.201 0.000 1.084 633 R CB 0.165 30.377 30.300 -0.146 0.000 1.105 633 R HN 0.335 nan 8.270 nan 0.000 0.515 634 G N 1.946 110.610 108.800 -0.226 0.000 2.273 634 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 634 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 634 G C -0.384 174.464 174.900 -0.086 0.000 1.047 634 G CA 0.350 45.354 45.100 -0.159 0.000 0.869 634 G HN 0.435 nan 8.290 nan 0.000 0.502 635 E N -0.670 119.488 120.200 -0.071 0.000 2.299 635 E HA 0.682 5.032 4.350 -0.000 0.000 0.265 635 E C 0.345 176.940 176.600 -0.009 0.000 0.911 635 E CA -0.588 55.787 56.400 -0.041 0.000 0.789 635 E CB 1.683 31.351 29.700 -0.054 0.000 1.246 635 E HN 0.611 nan 8.360 nan 0.000 0.427 636 A N 3.011 125.822 122.820 -0.015 0.000 2.454 636 A HA 0.312 4.632 4.320 -0.000 0.000 0.260 636 A C -2.124 175.436 177.584 -0.039 0.000 1.106 636 A CA -1.086 50.939 52.037 -0.020 0.000 0.780 636 A CB -0.435 18.542 19.000 -0.039 0.000 1.044 636 A HN 0.265 nan 8.150 nan 0.000 0.498 637 P HA 0.254 nan 4.420 nan 0.000 0.271 637 P C -0.570 176.653 177.300 -0.128 0.000 1.216 637 P CA -0.115 62.945 63.100 -0.067 0.000 0.776 637 P CB 0.824 32.503 31.700 -0.036 0.000 0.881 638 V N 4.175 124.017 119.914 -0.121 0.000 2.439 638 V HA 0.279 4.399 4.120 -0.000 0.000 0.282 638 V C 0.541 176.504 176.094 -0.219 0.000 1.039 638 V CA -0.273 61.941 62.300 -0.143 0.000 0.913 638 V CB 0.701 32.472 31.823 -0.087 0.000 0.983 638 V HN 0.371 nan 8.190 nan 0.000 0.460 639 L N 4.719 125.751 121.223 -0.319 0.000 2.341 639 L HA 0.625 4.965 4.340 -0.000 0.000 0.267 639 L C -0.176 176.431 176.870 -0.439 0.000 1.009 639 L CA -0.387 54.125 54.840 -0.547 0.000 0.819 639 L CB 2.075 43.567 42.059 -0.945 0.000 1.323 639 L HN 0.528 nan 8.230 nan 0.000 0.425 640 N N 1.720 120.197 118.700 -0.372 0.000 2.407 640 N HA 0.440 5.180 4.740 -0.000 0.000 0.277 640 N C -1.635 173.697 175.510 -0.296 0.000 0.995 640 N CA -0.358 52.546 53.050 -0.244 0.000 0.903 640 N CB 1.691 40.130 38.487 -0.079 0.000 1.218 640 N HN 0.456 nan 8.380 nan 0.000 0.487 641 Y N 0.302 120.502 120.300 -0.166 0.000 2.406 641 Y HA 0.254 4.804 4.550 -0.000 0.000 0.340 641 Y C -0.271 175.426 175.900 -0.338 0.000 0.975 641 Y CA -1.046 56.953 58.100 -0.167 0.000 1.056 641 Y CB 1.630 40.015 38.460 -0.125 0.000 1.210 641 Y HN 0.466 nan 8.280 nan 0.000 0.448 642 H N 2.223 121.379 119.070 0.143 0.000 2.680 642 H HA 0.352 4.908 4.556 0.000 0.000 0.260 642 H C -0.581 174.759 175.328 0.020 0.000 1.328 642 H CA -0.811 55.286 56.048 0.083 0.000 1.269 642 H CB 0.167 29.970 29.762 0.068 0.000 1.446 642 H HN 0.381 nan 8.280 nan 0.000 0.527 643 R N 1.352 121.768 120.500 -0.141 0.000 2.442 643 R HA 0.023 4.363 4.340 -0.000 0.000 0.291 643 R C 0.659 176.866 176.300 -0.156 0.000 1.069 643 R CA -0.267 55.593 56.100 -0.400 0.000 1.022 643 R CB 0.358 30.025 30.300 -1.054 0.000 0.976 643 R HN 0.536 nan 8.270 nan 0.000 0.443 644 F N 4.543 124.389 119.950 -0.173 0.000 2.065 644 F HA -0.293 4.233 4.527 -0.000 0.000 0.298 644 F C 1.800 177.528 175.800 -0.121 0.000 1.112 644 F CA 1.760 59.690 58.000 -0.118 0.000 1.212 644 F CB -0.102 38.811 39.000 -0.145 0.000 0.975 644 F HN 0.719 nan 8.300 nan 0.000 0.476 645 W N 0.303 121.506 121.300 -0.161 0.000 2.392 645 W HA -0.184 4.476 4.660 -0.000 0.000 0.279 645 W C 1.865 178.231 176.519 -0.255 0.000 1.225 645 W CA 1.484 58.560 57.345 -0.448 0.000 1.233 645 W CB -1.631 27.533 29.460 -0.493 0.000 1.122 645 W HN 0.258 nan 8.180 nan 0.000 0.561 646 H N 0.986 119.559 119.070 -0.828 0.000 2.321 646 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 646 H C 2.268 177.405 175.328 -0.317 0.000 1.087 646 H CA 1.743 57.373 56.048 -0.697 0.000 1.319 646 H CB 0.166 29.535 29.762 -0.654 0.000 1.379 646 H HN 0.070 nan 8.280 nan 0.000 0.501 647 E N 0.541 120.629 120.200 -0.187 0.000 2.077 647 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 647 E C 2.525 179.001 176.600 -0.205 0.000 0.989 647 E CA 0.605 56.886 56.400 -0.198 0.000 0.800 647 E CB -0.390 29.084 29.700 -0.377 0.000 0.746 647 E HN 0.277 nan 8.360 nan 0.000 0.452 648 V N 2.045 121.782 119.914 -0.296 0.000 2.323 648 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 648 V C 2.033 178.157 176.094 0.050 0.000 1.041 648 V CA 1.729 63.951 62.300 -0.131 0.000 1.025 648 V CB -0.459 31.311 31.823 -0.089 0.000 0.656 648 V HN 0.095 nan 8.190 nan 0.000 0.451 649 D N -0.019 120.453 120.400 0.119 0.000 2.149 649 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 649 D C 1.972 178.336 176.300 0.107 0.000 0.990 649 D CA 1.330 55.468 54.000 0.231 0.000 0.839 649 D CB -0.069 41.008 40.800 0.462 0.000 0.948 649 D HN 0.346 nan 8.370 nan 0.000 0.460 650 L N 0.581 121.843 121.223 0.065 0.000 2.072 650 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 650 L C 2.146 179.056 176.870 0.067 0.000 1.079 650 L CA 1.677 56.559 54.840 0.070 0.000 0.752 650 L CB -0.719 41.396 42.059 0.094 0.000 0.906 650 L HN -0.058 nan 8.230 nan 0.000 0.436 651 A N -0.937 121.922 122.820 0.064 0.000 1.877 651 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 651 A C 2.244 179.979 177.584 0.251 0.000 1.186 651 A CA 2.121 54.248 52.037 0.148 0.000 0.620 651 A CB -1.168 17.871 19.000 0.065 0.000 0.822 651 A HN 0.287 nan 8.150 nan 0.000 0.443 652 V N -0.105 119.848 119.914 0.064 0.000 2.407 652 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 652 V C 3.026 179.033 176.094 -0.145 0.000 1.055 652 V CA 1.852 64.052 62.300 -0.165 0.000 1.049 652 V CB -1.228 30.207 31.823 -0.647 0.000 0.662 652 V HN 0.627 nan 8.190 nan 0.000 0.455 653 A N -0.520 122.264 122.820 -0.059 0.000 1.902 653 A HA -0.250 4.069 4.320 -0.000 0.000 0.217 653 A C 2.239 179.788 177.584 -0.058 0.000 1.181 653 A CA 2.207 54.225 52.037 -0.031 0.000 0.623 653 A CB -0.480 18.527 19.000 0.012 0.000 0.818 653 A HN 0.497 nan 8.150 nan 0.000 0.443 654 M N -0.588 119.006 119.600 -0.012 0.000 2.080 654 M HA -0.136 4.344 4.480 -0.000 0.000 0.260 654 M C 2.308 178.586 176.300 -0.036 0.000 1.068 654 M CA 1.591 56.898 55.300 0.012 0.000 1.109 654 M CB -0.644 32.034 32.600 0.131 0.000 1.342 654 M HN 0.507 nan 8.290 nan 0.000 0.405 655 G N -0.494 108.224 108.800 -0.137 0.000 2.422 655 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.218 655 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.218 655 G C 1.475 176.197 174.900 -0.296 0.000 1.146 655 G CA 0.842 45.700 45.100 -0.404 0.000 0.769 655 G HN 0.325 nan 8.290 nan 0.000 0.547 656 V N 0.589 120.407 119.914 -0.159 0.000 2.343 656 V HA -0.110 4.010 4.120 -0.000 0.000 0.247 656 V C 2.829 178.957 176.094 0.057 0.000 1.051 656 V CA 1.140 63.432 62.300 -0.013 0.000 1.036 656 V CB -0.389 31.482 31.823 0.081 0.000 0.654 656 V HN 0.218 nan 8.190 nan 0.000 0.451 657 L N 0.519 121.749 121.223 0.011 0.000 2.012 657 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 657 L C 2.653 179.567 176.870 0.074 0.000 1.073 657 L CA 2.404 57.278 54.840 0.056 0.000 0.748 657 L CB -1.616 40.266 42.059 -0.295 0.000 0.891 657 L HN 0.321 nan 8.230 nan 0.000 0.431 658 A N -1.872 120.942 122.820 -0.011 0.000 1.978 658 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 658 A C 2.331 179.785 177.584 -0.218 0.000 1.170 658 A CA 2.378 54.372 52.037 -0.072 0.000 0.636 658 A CB -0.850 18.066 19.000 -0.141 0.000 0.810 658 A HN 0.476 nan 8.150 nan 0.000 0.448 659 T N -1.857 112.484 114.554 -0.355 0.000 2.809 659 T HA -0.016 4.334 4.350 -0.000 0.000 0.260 659 T C 1.539 175.808 174.700 -0.718 0.000 1.039 659 T CA 1.593 63.316 62.100 -0.629 0.000 1.141 659 T CB -0.319 68.028 68.868 -0.869 0.000 0.869 659 T HN 0.615 nan 8.240 nan 0.000 0.437 660 Y N -0.674 119.449 120.300 -0.295 0.000 2.497 660 Y HA 0.362 4.912 4.550 -0.000 0.000 0.265 660 Y C 0.248 175.600 175.900 -0.913 0.000 1.111 660 Y CA -0.272 57.460 58.100 -0.612 0.000 1.288 660 Y CB 0.349 38.352 38.460 -0.761 0.000 1.082 660 Y HN 0.104 nan 8.280 nan 0.000 0.536 661 F N 0.516 120.499 119.950 0.055 0.000 2.646 661 F HA 0.366 4.893 4.527 0.000 0.000 0.336 661 F C -2.066 173.753 175.800 0.030 0.000 1.437 661 F CA -2.535 55.490 58.000 0.043 0.000 1.142 661 F CB 0.753 39.784 39.000 0.052 0.000 1.530 661 F HN -0.169 nan 8.300 nan 0.000 0.591 662 P HA -0.112 nan 4.420 nan 0.000 0.225 662 P C 0.577 177.915 177.300 0.064 0.000 1.148 662 P CA 1.284 64.405 63.100 0.035 0.000 0.779 662 P CB 0.451 32.124 31.700 -0.044 0.000 0.780 663 D N -0.865 119.590 120.400 0.091 0.000 2.289 663 D HA 0.054 4.694 4.640 -0.000 0.000 0.207 663 D C 1.278 177.631 176.300 0.089 0.000 0.966 663 D CA 0.446 54.488 54.000 0.071 0.000 0.868 663 D CB -0.330 40.509 40.800 0.064 0.000 0.943 663 D HN 0.254 nan 8.370 nan 0.000 0.514 664 M N 0.129 119.826 119.600 0.162 0.000 2.240 664 M HA 0.112 4.592 4.480 -0.000 0.000 0.317 664 M C 0.299 176.687 176.300 0.147 0.000 1.087 664 M CA 0.856 56.276 55.300 0.201 0.000 1.176 664 M CB 0.772 33.557 32.600 0.308 0.000 1.439 664 M HN -0.278 nan 8.290 nan 0.000 0.452 665 T N 0.747 115.321 114.554 0.033 0.000 3.041 665 T HA 0.281 4.631 4.350 -0.000 0.000 0.321 665 T C -1.552 172.950 174.700 -0.329 0.000 1.184 665 T CA -0.621 61.342 62.100 -0.230 0.000 1.050 665 T CB 0.852 69.666 68.868 -0.090 0.000 1.159 665 T HN 0.474 nan 8.240 nan 0.000 0.469 666 Y N 2.945 122.818 120.300 -0.712 0.000 2.597 666 Y HA 0.474 5.024 4.550 -0.000 0.000 0.336 666 Y C 0.048 175.855 175.900 -0.154 0.000 1.216 666 Y CA 0.325 58.190 58.100 -0.391 0.000 1.463 666 Y CB 0.146 38.379 38.460 -0.377 0.000 1.303 666 Y HN 0.721 nan 8.280 nan 0.000 0.576 667 K N 5.205 125.097 120.400 -0.847 0.000 2.477 667 K HA 0.674 4.994 4.320 -0.000 0.000 0.255 667 K C -1.329 174.668 176.600 -1.006 0.000 0.952 667 K CA -0.396 55.466 56.287 -0.708 0.000 0.826 667 K CB 0.868 33.167 32.500 -0.335 0.000 1.331 667 K HN 1.237 nan 8.250 nan 0.000 0.437 668 V N 1.491 121.007 119.914 -0.663 0.000 2.529 668 V HA 0.503 4.623 4.120 -0.000 0.000 0.292 668 V C -2.134 173.670 176.094 -0.484 0.000 1.028 668 V CA -0.971 60.941 62.300 -0.648 0.000 1.074 668 V CB 0.212 31.668 31.823 -0.611 0.000 0.958 668 V HN 0.843 nan 8.190 nan 0.000 0.481 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.990 63.100 -0.183 0.000 0.800 669 P CB 0.000 31.691 31.700 -0.015 0.000 0.726