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 2gmj_1_A DATA FIRST_RESID 4 DATA SEQUENCE CKVPRITTHY TIYPRDQDKR WEGVNMERFA EEADVVIVGA GPAGLSAATR DATA SEQUENCE LKQLAAQHEK DLRVCLVEKA AHIGAHTLSG ACLDPRAFEE LFPDWKEKGA DATA SEQUENCE PLNTPVTEDR FGILTEKYRI PVPILPGLPM NNHGNYVVRL GHLVSWMGEQ DATA SEQUENCE AEALGVEVYP GYAAAEILFH EDGSVKGIAT NDVGIQKDGA PKTTFERGLE DATA SEQUENCE LHAKVTIFAE GCHGHLAKQL YKKFDLRANC EPQTYGIGLK ELWVIDEKKW DATA SEQUENCE KPGRVDHTVG WPLDRHTYGG SFLYHLNEGE PLLALGFVVG LDYQNPYLSP DATA SEQUENCE FREFQRWKHH PSIKPTLEGG KRIAYGARAL NEGGFQSIPK LTFPGGLLIG DATA SEQUENCE CSPGFMNVPK IKGTHTAMKS GTLAAESIFN QLTSENLQSK TIGLHVTEYE DATA SEQUENCE DNLKNSWVWK ELYSVRNIRP SCHGILGVYG GMIYTGIFYW IFRGMEPWTL DATA SEQUENCE KHKGSDSDQL KPAKDCTPIE YPKPDGQISF DLLSSVALSG TNHEHDQPAH DATA SEQUENCE LTLKDDSVPV NRNLSIYDGP EQRFCPAGVY EFVPLEQGDG FRLQINAQNC DATA SEQUENCE VHCKTCDIKD PSQNINWVVP EGGGGPAYNG M VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 C HA 0.000 nan 4.460 nan 0.000 0.325 4 C C 0.000 174.991 174.990 0.001 0.000 1.270 4 C CA 0.000 59.016 59.018 -0.003 0.000 1.963 4 C CB 0.000 27.737 27.740 -0.004 0.000 2.134 5 K N 0.642 121.044 120.400 0.003 0.000 2.879 5 K HA 0.549 4.869 4.320 -0.000 0.000 0.287 5 K C 0.675 177.287 176.600 0.019 0.000 0.988 5 K CA 0.099 56.392 56.287 0.009 0.000 1.528 5 K CB -0.673 31.832 32.500 0.008 0.000 2.046 5 K HN 0.268 nan 8.250 nan 0.000 0.785 6 V N 1.554 121.483 119.914 0.025 0.000 3.383 6 V HA 0.025 4.145 4.120 -0.000 0.000 0.272 6 V C -1.568 174.557 176.094 0.051 0.000 1.181 6 V CA 0.681 63.005 62.300 0.041 0.000 1.171 6 V CB -0.565 31.283 31.823 0.041 0.000 0.800 6 V HN 0.749 nan 8.190 nan 0.000 0.515 7 P HA 0.261 nan 4.420 nan 0.000 0.343 7 P C -0.089 177.219 177.300 0.014 0.000 1.560 7 P CA -0.362 62.752 63.100 0.023 0.000 1.480 7 P CB 0.467 32.178 31.700 0.020 0.000 1.671 8 R N 1.239 121.754 120.500 0.024 0.000 3.125 8 R HA -0.102 4.238 4.340 -0.000 0.000 0.258 8 R C 0.771 177.086 176.300 0.025 0.000 0.968 8 R CA 0.198 56.307 56.100 0.014 0.000 0.656 8 R CB -2.264 28.019 30.300 -0.029 0.000 1.251 8 R HN 0.281 nan 8.270 nan 0.000 0.428 9 I N -1.038 119.559 120.570 0.046 0.000 2.454 9 I HA -0.146 4.024 4.170 -0.000 0.000 0.254 9 I C 0.995 177.146 176.117 0.057 0.000 1.156 9 I CA 1.423 62.750 61.300 0.044 0.000 1.433 9 I CB -0.144 37.886 38.000 0.051 0.000 1.082 9 I HN 0.132 nan 8.210 nan 0.000 0.432 10 T N 0.821 115.434 114.554 0.099 0.000 2.758 10 T HA 0.359 4.709 4.350 -0.000 0.000 0.285 10 T C 0.848 175.675 174.700 0.212 0.000 0.981 10 T CA -0.240 61.952 62.100 0.154 0.000 0.965 10 T CB 1.285 70.263 68.868 0.182 0.000 0.927 10 T HN 0.343 nan 8.240 nan 0.000 0.448 11 T N -1.380 113.283 114.554 0.182 0.000 3.130 11 T HA 0.137 4.487 4.350 -0.000 0.000 0.288 11 T C 0.418 175.250 174.700 0.220 0.000 0.936 11 T CA -0.335 61.859 62.100 0.157 0.000 0.897 11 T CB -0.154 68.742 68.868 0.048 0.000 1.178 11 T HN 0.606 nan 8.240 nan 0.000 0.543 12 H N 2.134 121.273 119.070 0.114 0.000 3.001 12 H HA 0.023 4.579 4.556 -0.000 0.000 0.334 12 H C 1.245 176.592 175.328 0.031 0.000 1.034 12 H CA 0.471 56.526 56.048 0.010 0.000 1.420 12 H CB 0.535 30.204 29.762 -0.155 0.000 1.405 12 H HN 0.521 nan 8.280 nan 0.000 0.593 13 Y N 1.786 122.066 120.300 -0.033 0.000 2.446 13 Y HA -0.202 4.348 4.550 -0.000 0.000 0.287 13 Y C 2.138 178.109 175.900 0.120 0.000 1.159 13 Y CA 1.030 59.133 58.100 0.007 0.000 1.297 13 Y CB -1.057 37.302 38.460 -0.169 0.000 0.974 13 Y HN 0.476 nan 8.280 nan 0.000 0.557 14 T N -2.515 112.086 114.554 0.077 0.000 3.055 14 T HA 0.050 4.400 4.350 -0.000 0.000 0.265 14 T C 1.571 176.242 174.700 -0.048 0.000 1.111 14 T CA 1.277 63.366 62.100 -0.018 0.000 1.118 14 T CB -0.383 68.374 68.868 -0.184 0.000 0.909 14 T HN 0.542 nan 8.240 nan 0.000 0.501 15 I N -1.739 118.793 120.570 -0.062 0.000 4.032 15 I HA 0.246 4.416 4.170 -0.000 0.000 0.313 15 I C -0.207 175.654 176.117 -0.426 0.000 1.272 15 I CA -0.079 61.074 61.300 -0.246 0.000 1.307 15 I CB 0.756 38.586 38.000 -0.284 0.000 1.155 15 I HN 0.132 nan 8.210 nan 0.000 0.431 16 Y N 1.489 121.811 120.300 0.037 0.000 2.748 16 Y HA 0.362 4.912 4.550 -0.000 0.000 0.359 16 Y C -2.434 173.478 175.900 0.019 0.000 1.030 16 Y CA -2.551 55.567 58.100 0.029 0.000 1.169 16 Y CB 0.313 38.795 38.460 0.037 0.000 1.127 16 Y HN -0.103 nan 8.280 nan 0.000 0.644 17 P HA -0.069 nan 4.420 nan 0.000 0.261 17 P C 0.372 177.644 177.300 -0.045 0.000 1.173 17 P CA 0.220 63.338 63.100 0.030 0.000 0.760 17 P CB 0.686 32.396 31.700 0.017 0.000 0.783 18 R N 2.566 122.921 120.500 -0.243 0.000 2.319 18 R HA -0.012 4.328 4.340 -0.000 0.000 0.204 18 R C 0.620 176.767 176.300 -0.255 0.000 0.954 18 R CA 0.522 56.326 56.100 -0.493 0.000 1.066 18 R CB -0.393 28.972 30.300 -1.559 0.000 0.991 18 R HN 0.451 nan 8.270 nan 0.000 0.486 19 D N 0.875 121.199 120.400 -0.125 0.000 2.339 19 D HA -0.071 4.569 4.640 -0.000 0.000 0.217 19 D C 0.820 177.125 176.300 0.009 0.000 1.050 19 D CA 0.213 54.188 54.000 -0.041 0.000 0.856 19 D CB 0.367 41.147 40.800 -0.033 0.000 0.922 19 D HN 0.307 nan 8.370 nan 0.000 0.518 20 Q N 0.422 120.232 119.800 0.018 0.000 2.140 20 Q HA 0.104 4.444 4.340 -0.000 0.000 0.227 20 Q C -0.468 175.573 176.000 0.070 0.000 0.798 20 Q CA -0.242 55.589 55.803 0.046 0.000 0.987 20 Q CB 1.242 30.010 28.738 0.050 0.000 1.161 20 Q HN 0.363 nan 8.270 nan 0.000 0.480 21 D N 0.112 120.566 120.400 0.090 0.000 2.375 21 D HA 0.083 4.723 4.640 -0.000 0.000 0.247 21 D C 0.661 177.050 176.300 0.149 0.000 1.061 21 D CA -0.421 53.651 54.000 0.120 0.000 0.834 21 D CB 1.525 42.411 40.800 0.144 0.000 1.247 21 D HN -0.124 nan 8.370 nan 0.000 0.489 22 K N 3.348 123.805 120.400 0.094 0.000 2.113 22 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 22 K C 1.524 178.157 176.600 0.055 0.000 1.047 22 K CA 0.879 57.206 56.287 0.067 0.000 0.928 22 K CB -0.483 32.036 32.500 0.031 0.000 0.716 22 K HN 0.405 nan 8.250 nan 0.000 0.446 23 R N -0.111 120.418 120.500 0.048 0.000 2.261 23 R HA -0.127 4.213 4.340 -0.000 0.000 0.236 23 R C 1.262 177.438 176.300 -0.206 0.000 1.141 23 R CA 1.639 57.691 56.100 -0.080 0.000 1.001 23 R CB -0.326 29.916 30.300 -0.096 0.000 0.866 23 R HN 0.359 nan 8.270 nan 0.000 0.468 24 W N -0.219 121.029 121.300 -0.087 0.000 3.220 24 W HA 0.198 4.858 4.660 -0.000 0.000 0.328 24 W C 1.539 178.015 176.519 -0.072 0.000 1.205 24 W CA -0.549 56.729 57.345 -0.112 0.000 1.773 24 W CB 0.225 29.608 29.460 -0.127 0.000 1.086 24 W HN 0.021 nan 8.180 nan 0.000 0.622 25 E N 0.561 120.824 120.200 0.105 0.000 2.149 25 E HA -0.241 4.109 4.350 -0.000 0.000 0.215 25 E C 2.293 178.926 176.600 0.054 0.000 1.055 25 E CA 2.447 58.887 56.400 0.066 0.000 0.870 25 E CB -0.668 29.049 29.700 0.027 0.000 0.764 25 E HN 0.173 nan 8.360 nan 0.000 0.463 26 G N -0.954 107.858 108.800 0.019 0.000 3.126 26 G HA2 0.191 4.151 3.960 -0.000 0.000 0.224 26 G HA3 0.191 4.151 3.960 -0.000 0.000 0.224 26 G C -0.022 174.900 174.900 0.036 0.000 1.142 26 G CA 0.185 45.297 45.100 0.021 0.000 0.759 26 G HN 0.144 nan 8.290 nan 0.000 0.550 27 V N 1.116 121.061 119.914 0.052 0.000 2.843 27 V HA 0.104 4.224 4.120 -0.000 0.000 0.305 27 V C 0.205 176.397 176.094 0.164 0.000 1.065 27 V CA -0.625 61.736 62.300 0.101 0.000 1.116 27 V CB 1.143 33.046 31.823 0.133 0.000 0.968 27 V HN 0.344 nan 8.190 nan 0.000 0.487 28 N N 3.184 121.990 118.700 0.177 0.000 2.457 28 N HA 0.307 5.047 4.740 -0.000 0.000 0.250 28 N C 0.216 175.841 175.510 0.192 0.000 0.982 28 N CA -0.409 52.732 53.050 0.151 0.000 0.941 28 N CB 1.175 39.728 38.487 0.109 0.000 1.120 28 N HN 0.603 nan 8.380 nan 0.000 0.505 29 M N 1.391 121.092 119.600 0.167 0.000 2.628 29 M HA 0.153 4.633 4.480 -0.000 0.000 0.232 29 M C 0.103 176.457 176.300 0.091 0.000 1.128 29 M CA 0.162 55.554 55.300 0.153 0.000 1.040 29 M CB -0.549 32.116 32.600 0.108 0.000 1.608 29 M HN 0.559 nan 8.290 nan 0.000 0.507 30 E N 1.135 121.385 120.200 0.083 0.000 2.558 30 E HA -0.005 4.345 4.350 -0.000 0.000 0.255 30 E C -0.285 176.336 176.600 0.036 0.000 0.968 30 E CA 0.500 56.947 56.400 0.078 0.000 0.939 30 E CB 0.551 30.311 29.700 0.099 0.000 0.921 30 E HN 0.310 nan 8.360 nan 0.000 0.477 31 R N 2.666 123.204 120.500 0.063 0.000 2.732 31 R HA 0.378 4.718 4.340 -0.000 0.000 0.278 31 R C -0.675 175.733 176.300 0.180 0.000 0.976 31 R CA -0.917 55.197 56.100 0.023 0.000 0.963 31 R CB 1.017 31.336 30.300 0.032 0.000 1.150 31 R HN 0.320 nan 8.270 nan 0.000 0.478 32 F N 0.738 120.675 119.950 -0.021 0.000 2.380 32 F HA 0.563 5.089 4.527 -0.000 0.000 0.325 32 F C 0.651 176.404 175.800 -0.078 0.000 1.136 32 F CA -1.235 56.742 58.000 -0.039 0.000 1.171 32 F CB 1.202 40.182 39.000 -0.033 0.000 1.230 32 F HN 0.536 nan 8.300 nan 0.000 0.554 33 A N 1.733 124.589 122.820 0.060 0.000 2.435 33 A HA 0.702 5.022 4.320 -0.000 0.000 0.304 33 A C -0.932 176.540 177.584 -0.186 0.000 1.064 33 A CA -0.665 51.275 52.037 -0.161 0.000 0.727 33 A CB 1.565 20.323 19.000 -0.404 0.000 1.284 33 A HN 0.607 nan 8.150 nan 0.000 0.415 34 E N 0.994 121.062 120.200 -0.220 0.000 2.222 34 E HA 0.366 4.716 4.350 -0.000 0.000 0.267 34 E C -1.209 175.305 176.600 -0.144 0.000 0.884 34 E CA -0.409 55.905 56.400 -0.143 0.000 0.764 34 E CB 2.441 32.081 29.700 -0.099 0.000 1.169 34 E HN 0.703 nan 8.360 nan 0.000 0.413 35 E N 0.887 121.041 120.200 -0.078 0.000 2.175 35 E HA 0.585 4.935 4.350 -0.000 0.000 0.278 35 E C -1.027 175.575 176.600 0.003 0.000 0.969 35 E CA -0.375 56.015 56.400 -0.018 0.000 0.796 35 E CB 1.447 31.148 29.700 0.000 0.000 1.104 35 E HN 0.558 nan 8.360 nan 0.000 0.395 36 A N 3.063 125.895 122.820 0.021 0.000 2.524 36 A HA 0.384 4.704 4.320 -0.000 0.000 0.286 36 A C -0.309 177.291 177.584 0.027 0.000 1.203 36 A CA -0.600 51.448 52.037 0.019 0.000 0.736 36 A CB 1.160 20.165 19.000 0.008 0.000 1.322 36 A HN 0.635 nan 8.150 nan 0.000 0.424 37 D N -0.999 119.415 120.400 0.023 0.000 2.338 37 D HA 0.217 4.857 4.640 -0.000 0.000 0.224 37 D C -0.068 176.239 176.300 0.012 0.000 0.967 37 D CA 1.443 55.457 54.000 0.023 0.000 0.896 37 D CB 0.600 41.418 40.800 0.030 0.000 1.028 37 D HN 0.190 nan 8.370 nan 0.000 0.493 38 V N 1.585 121.501 119.914 0.004 0.000 2.623 38 V HA 0.307 4.427 4.120 -0.000 0.000 0.304 38 V C -0.325 175.747 176.094 -0.037 0.000 1.054 38 V CA -0.813 61.475 62.300 -0.019 0.000 0.882 38 V CB 2.737 34.551 31.823 -0.016 0.000 1.002 38 V HN -0.251 nan 8.190 nan 0.000 0.424 39 V N 6.015 125.884 119.914 -0.074 0.000 2.435 39 V HA 0.573 4.693 4.120 -0.000 0.000 0.290 39 V C -0.238 175.763 176.094 -0.154 0.000 1.030 39 V CA -0.431 61.805 62.300 -0.106 0.000 0.881 39 V CB 1.845 33.588 31.823 -0.134 0.000 0.983 39 V HN 0.692 nan 8.190 nan 0.000 0.445 40 I N 4.304 124.801 120.570 -0.121 0.000 2.474 40 I HA 0.483 4.653 4.170 -0.000 0.000 0.294 40 I C -0.683 175.360 176.117 -0.124 0.000 1.005 40 I CA -0.934 60.289 61.300 -0.127 0.000 1.113 40 I CB 2.213 40.182 38.000 -0.051 0.000 1.289 40 I HN 0.244 nan 8.210 nan 0.000 0.436 41 V N 4.798 124.611 119.914 -0.169 0.000 2.294 41 V HA 0.772 4.892 4.120 -0.000 0.000 0.272 41 V C 0.320 176.427 176.094 0.022 0.000 1.027 41 V CA -0.394 61.848 62.300 -0.096 0.000 0.823 41 V CB 0.590 32.292 31.823 -0.201 0.000 1.030 41 V HN 1.074 nan 8.190 nan 0.000 0.457 42 G N 4.056 112.895 108.800 0.065 0.000 3.400 42 G HA2 0.301 4.261 3.960 -0.000 0.000 0.679 42 G HA3 0.301 4.261 3.960 -0.000 0.000 0.679 42 G C -0.255 174.701 174.900 0.093 0.000 1.239 42 G CA -0.360 44.801 45.100 0.102 0.000 1.049 42 G HN 1.325 nan 8.290 nan 0.000 0.539 43 A N 1.661 124.543 122.820 0.102 0.000 3.258 43 A HA 0.771 5.091 4.320 -0.000 0.000 0.275 43 A C 1.255 178.901 177.584 0.103 0.000 1.452 43 A CA 1.000 53.094 52.037 0.095 0.000 1.120 43 A CB -0.245 18.808 19.000 0.089 0.000 1.107 43 A HN 2.005 nan 8.150 nan 0.000 0.651 44 G N -0.050 108.816 108.800 0.110 0.000 2.642 44 G HA2 0.536 4.496 3.960 -0.000 0.000 0.291 44 G HA3 0.536 4.496 3.960 -0.000 0.000 0.291 44 G C -1.105 173.867 174.900 0.121 0.000 1.345 44 G CA -1.202 43.966 45.100 0.113 0.000 1.043 44 G HN 0.109 nan 8.290 nan 0.000 0.528 45 P HA -0.178 nan 4.420 nan 0.000 0.216 45 P C 1.852 179.245 177.300 0.155 0.000 1.153 45 P CA 2.242 65.429 63.100 0.145 0.000 0.858 45 P CB 0.078 31.855 31.700 0.129 0.000 0.789 46 A N 0.486 123.390 122.820 0.140 0.000 1.855 46 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 46 A C 2.698 180.346 177.584 0.106 0.000 1.191 46 A CA 2.052 54.169 52.037 0.133 0.000 0.613 46 A CB -1.956 17.132 19.000 0.147 0.000 0.829 46 A HN 0.277 nan 8.150 nan 0.000 0.442 47 G N -0.311 108.548 108.800 0.098 0.000 2.475 47 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.220 47 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.220 47 G C 1.559 176.504 174.900 0.075 0.000 1.125 47 G CA 1.169 46.312 45.100 0.072 0.000 0.755 47 G HN 0.419 nan 8.290 nan 0.000 0.565 48 L N 0.360 121.647 121.223 0.106 0.000 2.072 48 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 48 L C 3.202 180.151 176.870 0.132 0.000 1.079 48 L CA 1.013 55.928 54.840 0.125 0.000 0.752 48 L CB -0.366 41.792 42.059 0.165 0.000 0.906 48 L HN 0.156 nan 8.230 nan 0.000 0.436 49 S N 0.070 115.857 115.700 0.145 0.000 2.365 49 S HA -0.252 4.218 4.470 -0.000 0.000 0.225 49 S C 2.158 176.784 174.600 0.043 0.000 1.039 49 S CA 1.429 59.700 58.200 0.118 0.000 1.033 49 S CB -0.376 62.903 63.200 0.132 0.000 0.887 49 S HN 0.511 nan 8.310 nan 0.000 0.447 50 A N 1.647 124.485 122.820 0.030 0.000 1.858 50 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 50 A C 2.404 179.979 177.584 -0.015 0.000 1.190 50 A CA 1.826 53.855 52.037 -0.015 0.000 0.617 50 A CB -1.317 17.663 19.000 -0.033 0.000 0.827 50 A HN 0.526 nan 8.150 nan 0.000 0.443 51 A N -0.985 121.840 122.820 0.008 0.000 1.873 51 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 51 A C 2.338 179.923 177.584 0.001 0.000 1.193 51 A CA 2.589 54.632 52.037 0.009 0.000 0.629 51 A CB -1.522 17.496 19.000 0.030 0.000 0.826 51 A HN 0.448 nan 8.150 nan 0.000 0.447 52 T N -0.704 113.863 114.554 0.023 0.000 2.580 52 T HA -0.211 4.139 4.350 -0.000 0.000 0.265 52 T C 2.102 176.760 174.700 -0.070 0.000 1.063 52 T CA 2.024 64.128 62.100 0.007 0.000 1.170 52 T CB -0.306 68.594 68.868 0.053 0.000 0.863 52 T HN 0.528 nan 8.240 nan 0.000 0.418 53 R N 0.920 121.362 120.500 -0.096 0.000 2.119 53 R HA -0.031 4.308 4.340 -0.000 0.000 0.246 53 R C 2.320 178.535 176.300 -0.141 0.000 1.146 53 R CA 1.462 57.485 56.100 -0.127 0.000 0.962 53 R CB -0.981 29.260 30.300 -0.099 0.000 0.863 53 R HN 0.420 nan 8.270 nan 0.000 0.442 54 L N -0.016 121.142 121.223 -0.108 0.000 2.083 54 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 54 L C 2.196 178.973 176.870 -0.155 0.000 1.083 54 L CA 1.316 56.083 54.840 -0.123 0.000 0.752 54 L CB -0.332 41.699 42.059 -0.046 0.000 0.899 54 L HN 0.152 nan 8.230 nan 0.000 0.433 55 K N -0.310 120.029 120.400 -0.102 0.000 2.296 55 K HA -0.071 4.249 4.320 -0.000 0.000 0.200 55 K C 1.996 178.530 176.600 -0.109 0.000 1.048 55 K CA 0.787 57.025 56.287 -0.082 0.000 0.966 55 K CB 0.077 32.553 32.500 -0.040 0.000 0.754 55 K HN 0.458 nan 8.250 nan 0.000 0.466 56 Q N -0.005 119.714 119.800 -0.136 0.000 2.083 56 Q HA -0.066 4.274 4.340 -0.000 0.000 0.198 56 Q C 1.836 177.728 176.000 -0.181 0.000 0.969 56 Q CA 0.770 56.492 55.803 -0.134 0.000 0.838 56 Q CB 0.028 28.679 28.738 -0.145 0.000 0.900 56 Q HN 0.045 nan 8.270 nan 0.000 0.436 57 L N 0.456 121.490 121.223 -0.314 0.000 2.056 57 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 57 L C 2.264 178.801 176.870 -0.554 0.000 1.078 57 L CA 1.855 56.363 54.840 -0.552 0.000 0.749 57 L CB -1.284 40.110 42.059 -1.109 0.000 0.901 57 L HN 0.148 nan 8.230 nan 0.000 0.433 58 A N -0.796 121.764 122.820 -0.434 0.000 1.877 58 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 58 A C 2.485 180.070 177.584 0.001 0.000 1.186 58 A CA 1.928 53.900 52.037 -0.109 0.000 0.620 58 A CB -0.892 18.095 19.000 -0.022 0.000 0.822 58 A HN 0.406 nan 8.150 nan 0.000 0.443 59 A N -1.007 121.789 122.820 -0.040 0.000 1.858 59 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 59 A C 2.233 179.809 177.584 -0.014 0.000 1.190 59 A CA 1.812 53.840 52.037 -0.016 0.000 0.617 59 A CB -0.710 18.270 19.000 -0.033 0.000 0.827 59 A HN 0.635 nan 8.150 nan 0.000 0.443 60 Q N -0.830 118.943 119.800 -0.047 0.000 2.045 60 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 60 Q C 1.277 177.197 176.000 -0.134 0.000 0.991 60 Q CA 2.237 57.971 55.803 -0.114 0.000 0.851 60 Q CB -0.191 28.433 28.738 -0.189 0.000 0.911 60 Q HN 0.863 nan 8.270 nan 0.000 0.418 61 H N 0.731 119.820 119.070 0.031 0.000 2.524 61 H HA 0.100 4.656 4.556 -0.000 0.000 0.280 61 H C -0.533 174.853 175.328 0.097 0.000 1.018 61 H CA 0.591 56.702 56.048 0.105 0.000 1.165 61 H CB -0.286 29.626 29.762 0.249 0.000 1.411 61 H HN 0.385 nan 8.280 nan 0.000 0.569 62 E N 1.386 121.674 120.200 0.147 0.000 2.235 62 E HA -0.289 4.061 4.350 -0.000 0.000 0.176 62 E C -1.005 175.669 176.600 0.124 0.000 1.687 62 E CA 0.508 56.969 56.400 0.102 0.000 0.617 62 E CB -0.963 28.771 29.700 0.056 0.000 1.030 62 E HN 0.489 nan 8.360 nan 0.000 0.307 63 K N 1.852 122.340 120.400 0.147 0.000 2.466 63 K HA 0.412 4.732 4.320 -0.000 0.000 0.260 63 K C -1.180 175.484 176.600 0.108 0.000 1.011 63 K CA -1.190 55.177 56.287 0.134 0.000 0.871 63 K CB 1.112 33.724 32.500 0.186 0.000 1.404 63 K HN 0.107 nan 8.250 nan 0.000 0.450 64 D N 1.763 122.211 120.400 0.080 0.000 2.396 64 D HA 0.282 4.922 4.640 -0.000 0.000 0.225 64 D C -1.136 175.205 176.300 0.068 0.000 1.121 64 D CA -0.258 53.778 54.000 0.060 0.000 0.853 64 D CB 0.495 41.318 40.800 0.038 0.000 1.043 64 D HN 0.078 nan 8.370 nan 0.000 0.500 65 L N 2.559 123.823 121.223 0.070 0.000 2.343 65 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 65 L C -0.240 176.656 176.870 0.043 0.000 0.996 65 L CA -0.508 54.374 54.840 0.070 0.000 0.831 65 L CB 1.340 43.460 42.059 0.102 0.000 1.232 65 L HN 0.178 nan 8.230 nan 0.000 0.413 66 R N 3.780 124.302 120.500 0.037 0.000 2.202 66 R HA 0.636 4.976 4.340 -0.000 0.000 0.334 66 R C -1.516 174.802 176.300 0.030 0.000 1.036 66 R CA -0.356 55.763 56.100 0.030 0.000 0.878 66 R CB 0.856 31.173 30.300 0.028 0.000 1.067 66 R HN 0.441 nan 8.270 nan 0.000 0.457 67 V N 5.392 125.324 119.914 0.030 0.000 2.349 67 V HA 0.261 4.381 4.120 -0.000 0.000 0.284 67 V C -0.339 175.785 176.094 0.050 0.000 1.014 67 V CA -0.838 61.479 62.300 0.027 0.000 0.826 67 V CB 1.407 33.239 31.823 0.016 0.000 1.009 67 V HN 0.850 nan 8.190 nan 0.000 0.431 68 C N 6.358 125.691 119.300 0.056 0.000 2.319 68 C HA 0.610 5.070 4.460 -0.000 0.000 0.335 68 C C -0.103 174.931 174.990 0.074 0.000 1.274 68 C CA -0.774 58.319 59.018 0.125 0.000 1.806 68 C CB 0.974 28.758 27.740 0.072 0.000 2.329 68 C HN 0.688 nan 8.230 nan 0.000 0.524 69 L N 5.974 127.287 121.223 0.151 0.000 2.319 69 L HA 0.720 5.060 4.340 -0.000 0.000 0.281 69 L C -0.225 176.736 176.870 0.152 0.000 1.005 69 L CA 0.031 54.931 54.840 0.101 0.000 0.828 69 L CB 1.303 43.414 42.059 0.088 0.000 1.227 69 L HN 0.689 nan 8.230 nan 0.000 0.415 70 V N 2.456 122.413 119.914 0.073 0.000 2.630 70 V HA 0.892 5.012 4.120 -0.000 0.000 0.305 70 V C -0.691 175.483 176.094 0.134 0.000 1.046 70 V CA -0.540 61.825 62.300 0.108 0.000 0.934 70 V CB 1.956 33.798 31.823 0.033 0.000 1.003 70 V HN 0.878 nan 8.190 nan 0.000 0.451 71 E N 2.069 122.375 120.200 0.178 0.000 2.331 71 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 71 E C 0.183 176.869 176.600 0.142 0.000 0.895 71 E CA -0.603 55.884 56.400 0.146 0.000 0.753 71 E CB 2.403 32.170 29.700 0.112 0.000 1.216 71 E HN 0.651 nan 8.360 nan 0.000 0.434 72 K N 1.679 122.167 120.400 0.146 0.000 2.057 72 K HA 0.091 4.411 4.320 -0.000 0.000 0.207 72 K C 0.593 177.168 176.600 -0.042 0.000 1.049 72 K CA 1.085 57.467 56.287 0.158 0.000 0.931 72 K CB -0.247 32.469 32.500 0.360 0.000 0.714 72 K HN 0.565 nan 8.250 nan 0.000 0.440 73 A N 1.092 123.717 122.820 -0.324 0.000 2.561 73 A HA 0.175 4.495 4.320 -0.000 0.000 0.234 73 A C 1.399 178.862 177.584 -0.200 0.000 1.055 73 A CA 0.701 52.375 52.037 -0.605 0.000 0.756 73 A CB 0.257 18.918 19.000 -0.565 0.000 0.986 73 A HN 0.366 nan 8.150 nan 0.000 0.505 74 A N 1.584 124.296 122.820 -0.179 0.000 1.917 74 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 74 A C 0.959 178.550 177.584 0.012 0.000 1.182 74 A CA 2.003 53.983 52.037 -0.095 0.000 0.633 74 A CB -0.792 18.117 19.000 -0.151 0.000 0.819 74 A HN 1.403 nan 8.150 nan 0.000 0.448 75 H N -3.454 115.575 119.070 -0.069 0.000 3.046 75 H HA 0.530 5.086 4.556 -0.000 0.000 0.363 75 H C -0.812 174.507 175.328 -0.015 0.000 1.203 75 H CA -1.726 54.307 56.048 -0.024 0.000 1.169 75 H CB 0.588 30.348 29.762 -0.004 0.000 1.851 75 H HN -0.018 nan 8.280 nan 0.000 0.546 76 I N 2.497 123.095 120.570 0.047 0.000 3.114 76 I HA -0.148 4.022 4.170 -0.000 0.000 0.320 76 I C 1.587 177.699 176.117 -0.009 0.000 1.230 76 I CA 2.423 63.725 61.300 0.003 0.000 1.440 76 I CB -0.616 37.375 38.000 -0.016 0.000 1.334 76 I HN 1.172 nan 8.210 nan 0.000 0.532 77 G N 4.894 113.731 108.800 0.061 0.000 2.213 77 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.236 77 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.236 77 G C 1.087 176.088 174.900 0.169 0.000 0.991 77 G CA 0.556 45.714 45.100 0.096 0.000 0.629 77 G HN 0.874 nan 8.290 nan 0.000 0.517 78 A N -0.234 122.697 122.820 0.186 0.000 2.019 78 A HA 0.108 4.428 4.320 -0.000 0.000 0.219 78 A C 1.625 179.468 177.584 0.431 0.000 1.164 78 A CA 2.013 54.204 52.037 0.257 0.000 0.644 78 A CB -0.481 18.617 19.000 0.164 0.000 0.805 78 A HN 0.777 nan 8.150 nan 0.000 0.449 79 H N -1.498 117.696 119.070 0.208 0.000 2.652 79 H HA 0.104 4.660 4.556 -0.000 0.000 0.274 79 H C -0.226 175.271 175.328 0.283 0.000 1.021 79 H CA -0.190 56.019 56.048 0.268 0.000 1.187 79 H CB 0.423 30.268 29.762 0.139 0.000 1.505 79 H HN 0.296 nan 8.280 nan 0.000 0.530 80 T N 2.448 117.181 114.554 0.298 0.000 2.799 80 T HA 0.227 4.577 4.350 -0.000 0.000 0.296 80 T C -0.284 174.377 174.700 -0.066 0.000 0.947 80 T CA 0.032 62.200 62.100 0.113 0.000 1.141 80 T CB 0.845 69.760 68.868 0.077 0.000 0.891 80 T HN 0.117 nan 8.240 nan 0.000 0.533 81 L N 3.436 124.580 121.223 -0.132 0.000 2.406 81 L HA 0.724 5.064 4.340 -0.000 0.000 0.272 81 L C -0.444 176.330 176.870 -0.161 0.000 0.980 81 L CA 0.031 54.692 54.840 -0.297 0.000 0.831 81 L CB 1.885 43.659 42.059 -0.476 0.000 1.253 81 L HN 0.695 nan 8.230 nan 0.000 0.406 82 S N 1.709 117.320 115.700 -0.149 0.000 2.643 82 S HA 0.626 5.096 4.470 -0.000 0.000 0.270 82 S C 0.452 174.969 174.600 -0.140 0.000 1.166 82 S CA 0.049 58.173 58.200 -0.127 0.000 0.815 82 S CB 1.161 64.310 63.200 -0.085 0.000 1.139 82 S HN 0.762 nan 8.310 nan 0.000 0.472 83 G N 0.809 109.424 108.800 -0.307 0.000 2.441 83 G HA2 0.464 4.424 3.960 -0.000 0.000 0.212 83 G HA3 0.464 4.424 3.960 -0.000 0.000 0.212 83 G C 0.612 175.494 174.900 -0.030 0.000 1.164 83 G CA 0.609 45.452 45.100 -0.427 0.000 0.811 83 G HN 2.041 nan 8.290 nan 0.000 0.535 84 A N -1.655 121.160 122.820 -0.009 0.000 2.102 84 A HA -0.020 4.300 4.320 -0.000 0.000 0.249 84 A C -0.014 177.644 177.584 0.124 0.000 1.348 84 A CA 0.213 52.291 52.037 0.069 0.000 0.694 84 A CB -1.987 17.032 19.000 0.031 0.000 1.175 84 A HN 1.541 nan 8.150 nan 0.000 0.287 85 C N 5.805 125.145 119.300 0.067 0.000 2.316 85 C HA 0.703 5.163 4.460 -0.000 0.000 0.324 85 C C 0.065 175.045 174.990 -0.017 0.000 1.226 85 C CA -0.682 58.298 59.018 -0.064 0.000 1.450 85 C CB 0.278 27.922 27.740 -0.159 0.000 2.123 85 C HN 1.065 nan 8.230 nan 0.000 0.454 86 L N 5.607 126.819 121.223 -0.018 0.000 2.309 86 L HA 0.497 4.837 4.340 -0.000 0.000 0.282 86 L C -0.365 176.497 176.870 -0.013 0.000 1.036 86 L CA 0.289 55.125 54.840 -0.007 0.000 0.806 86 L CB 1.379 43.403 42.059 -0.060 0.000 1.220 86 L HN 0.729 nan 8.230 nan 0.000 0.429 87 D N 6.158 126.533 120.400 -0.042 0.000 2.412 87 D HA 0.254 4.894 4.640 -0.000 0.000 0.224 87 D C -1.901 174.407 176.300 0.013 0.000 1.093 87 D CA -1.866 52.063 54.000 -0.118 0.000 0.850 87 D CB 2.022 42.569 40.800 -0.423 0.000 1.046 87 D HN 0.271 nan 8.370 nan 0.000 0.507 88 P HA -0.139 nan 4.420 nan 0.000 0.221 88 P C 1.261 178.655 177.300 0.157 0.000 1.145 88 P CA 0.660 63.853 63.100 0.154 0.000 0.795 88 P CB 0.242 32.086 31.700 0.240 0.000 0.775 89 R N 1.024 121.547 120.500 0.039 0.000 2.227 89 R HA -0.282 4.058 4.340 -0.000 0.000 0.246 89 R C 2.003 178.370 176.300 0.112 0.000 1.119 89 R CA 2.832 58.910 56.100 -0.037 0.000 0.930 89 R CB -1.424 28.673 30.300 -0.338 0.000 0.912 89 R HN 0.163 nan 8.270 nan 0.000 0.435 90 A N -1.185 121.794 122.820 0.264 0.000 1.970 90 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 90 A C 2.088 179.846 177.584 0.289 0.000 1.170 90 A CA 0.993 53.244 52.037 0.357 0.000 0.645 90 A CB -0.666 18.626 19.000 0.486 0.000 0.816 90 A HN 0.542 nan 8.150 nan 0.000 0.447 91 F N 1.208 121.245 119.950 0.144 0.000 2.113 91 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 91 F C 2.098 177.988 175.800 0.150 0.000 1.103 91 F CA 2.020 60.095 58.000 0.124 0.000 1.248 91 F CB -0.322 38.677 39.000 -0.002 0.000 0.999 91 F HN 0.342 nan 8.300 nan 0.000 0.475 92 E N -0.220 120.015 120.200 0.058 0.000 2.204 92 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 92 E C 2.107 178.732 176.600 0.042 0.000 0.990 92 E CA 1.099 57.545 56.400 0.077 0.000 0.821 92 E CB -0.266 29.573 29.700 0.230 0.000 0.750 92 E HN 0.599 nan 8.360 nan 0.000 0.477 93 E N 0.645 120.874 120.200 0.048 0.000 2.047 93 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 93 E C 2.065 178.628 176.600 -0.061 0.000 0.987 93 E CA 0.620 57.039 56.400 0.032 0.000 0.799 93 E CB 0.092 29.847 29.700 0.092 0.000 0.752 93 E HN 0.100 nan 8.360 nan 0.000 0.449 94 L N -0.236 120.905 121.223 -0.136 0.000 2.109 94 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 94 L C 0.210 176.692 176.870 -0.647 0.000 1.086 94 L CA 1.481 56.093 54.840 -0.381 0.000 0.760 94 L CB 0.135 41.963 42.059 -0.384 0.000 0.910 94 L HN 0.052 nan 8.230 nan 0.000 0.437 95 F N 0.211 120.036 119.950 -0.207 0.000 2.622 95 F HA 0.378 4.905 4.527 -0.000 0.000 0.338 95 F C -1.578 174.211 175.800 -0.018 0.000 1.334 95 F CA -1.948 55.974 58.000 -0.130 0.000 1.179 95 F CB 0.440 39.312 39.000 -0.214 0.000 1.471 95 F HN -0.058 nan 8.300 nan 0.000 0.576 96 P HA -0.162 nan 4.420 nan 0.000 0.220 96 P C 0.444 177.803 177.300 0.098 0.000 1.148 96 P CA 1.381 64.567 63.100 0.143 0.000 0.803 96 P CB 0.010 31.749 31.700 0.065 0.000 0.782 97 D N -0.984 119.494 120.400 0.131 0.000 2.324 97 D HA -0.101 4.539 4.640 -0.000 0.000 0.235 97 D C 1.958 178.321 176.300 0.105 0.000 1.095 97 D CA -0.423 53.621 54.000 0.074 0.000 0.871 97 D CB -1.065 39.806 40.800 0.119 0.000 0.906 97 D HN 0.374 nan 8.370 nan 0.000 0.522 98 W N 1.758 123.082 121.300 0.040 0.000 2.342 98 W HA -0.221 4.439 4.660 -0.000 0.000 0.297 98 W C 1.443 177.919 176.519 -0.073 0.000 1.213 98 W CA 0.886 58.202 57.345 -0.048 0.000 1.251 98 W CB -0.613 28.757 29.460 -0.151 0.000 1.136 98 W HN -0.015 nan 8.180 nan 0.000 0.526 99 K N 2.094 122.094 120.400 -0.667 0.000 2.147 99 K HA -0.250 4.070 4.320 -0.000 0.000 0.205 99 K C 2.099 178.584 176.600 -0.193 0.000 1.049 99 K CA 2.372 58.281 56.287 -0.631 0.000 0.936 99 K CB -0.538 31.404 32.500 -0.930 0.000 0.722 99 K HN 0.534 nan 8.250 nan 0.000 0.446 100 E N -0.950 119.177 120.200 -0.122 0.000 2.474 100 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 100 E C 1.060 177.704 176.600 0.074 0.000 1.041 100 E CA 0.226 56.612 56.400 -0.024 0.000 0.874 100 E CB 0.215 29.895 29.700 -0.033 0.000 0.914 100 E HN 0.116 nan 8.360 nan 0.000 0.498 101 K N 0.174 120.671 120.400 0.161 0.000 2.374 101 K HA 0.137 4.457 4.320 -0.000 0.000 0.196 101 K C 0.808 177.672 176.600 0.439 0.000 1.023 101 K CA 0.512 56.979 56.287 0.300 0.000 1.103 101 K CB 0.865 33.620 32.500 0.425 0.000 0.848 101 K HN 0.332 nan 8.250 nan 0.000 0.528 102 G N 1.167 110.123 108.800 0.259 0.000 2.195 102 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.224 102 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.224 102 G C 0.287 175.101 174.900 -0.143 0.000 0.990 102 G CA -0.113 45.108 45.100 0.202 0.000 0.639 102 G HN 0.420 nan 8.290 nan 0.000 0.514 103 A N 1.481 123.855 122.820 -0.744 0.000 2.603 103 A HA 0.435 4.755 4.320 -0.000 0.000 0.235 103 A C -0.493 176.773 177.584 -0.530 0.000 1.035 103 A CA 0.707 51.937 52.037 -1.345 0.000 0.755 103 A CB 0.095 18.368 19.000 -1.212 0.000 0.954 103 A HN 0.390 nan 8.150 nan 0.000 0.511 104 P HA 0.162 nan 4.420 nan 0.000 0.228 104 P C -0.871 176.258 177.300 -0.286 0.000 1.748 104 P CA 0.015 62.973 63.100 -0.236 0.000 0.909 104 P CB -0.231 31.402 31.700 -0.111 0.000 1.882 105 L N 2.036 123.010 121.223 -0.415 0.000 2.352 105 L HA 0.278 4.618 4.340 -0.000 0.000 0.272 105 L C 1.240 177.954 176.870 -0.261 0.000 1.109 105 L CA 0.389 54.871 54.840 -0.598 0.000 0.952 105 L CB -0.091 41.141 42.059 -1.378 0.000 1.314 105 L HN 0.009 nan 8.230 nan 0.000 0.427 106 N N 0.185 118.848 118.700 -0.061 0.000 2.197 106 N HA 0.123 4.863 4.740 -0.000 0.000 0.201 106 N C -0.226 175.375 175.510 0.152 0.000 1.148 106 N CA 0.107 53.202 53.050 0.075 0.000 0.883 106 N CB 1.057 39.590 38.487 0.077 0.000 1.012 106 N HN 0.361 nan 8.380 nan 0.000 0.507 107 T N 3.241 117.903 114.554 0.181 0.000 3.053 107 T HA 0.284 4.634 4.350 -0.000 0.000 0.363 107 T C -2.733 172.107 174.700 0.233 0.000 1.239 107 T CA -1.351 60.861 62.100 0.188 0.000 1.071 107 T CB 2.201 71.159 68.868 0.151 0.000 1.089 107 T HN 0.015 nan 8.240 nan 0.000 0.527 108 P HA 0.249 nan 4.420 nan 0.000 0.279 108 P C -0.081 177.163 177.300 -0.093 0.000 1.239 108 P CA -0.416 62.650 63.100 -0.058 0.000 0.789 108 P CB 0.954 32.591 31.700 -0.105 0.000 0.933 109 V N 3.288 123.100 119.914 -0.170 0.000 2.585 109 V HA 0.053 4.173 4.120 -0.000 0.000 0.296 109 V C 1.882 177.920 176.094 -0.094 0.000 1.035 109 V CA 1.001 63.228 62.300 -0.121 0.000 1.084 109 V CB 0.139 31.878 31.823 -0.139 0.000 0.953 109 V HN 0.797 nan 8.190 nan 0.000 0.483 110 T N 0.431 114.946 114.554 -0.065 0.000 2.978 110 T HA 0.246 4.596 4.350 -0.000 0.000 0.248 110 T C 0.340 175.021 174.700 -0.032 0.000 1.018 110 T CA 0.041 62.113 62.100 -0.047 0.000 1.026 110 T CB 0.417 69.248 68.868 -0.062 0.000 1.032 110 T HN 0.627 nan 8.240 nan 0.000 0.485 111 E N 0.443 120.621 120.200 -0.036 0.000 2.290 111 E HA 0.386 4.736 4.350 -0.000 0.000 0.274 111 E C -2.006 174.599 176.600 0.009 0.000 0.889 111 E CA -0.693 55.696 56.400 -0.018 0.000 0.760 111 E CB 1.599 31.275 29.700 -0.041 0.000 1.206 111 E HN 0.019 nan 8.360 nan 0.000 0.419 112 D N 3.402 123.825 120.400 0.037 0.000 2.344 112 D HA 0.397 5.037 4.640 -0.000 0.000 0.239 112 D C -0.709 175.663 176.300 0.119 0.000 1.064 112 D CA -0.316 53.735 54.000 0.085 0.000 0.829 112 D CB 1.156 42.001 40.800 0.075 0.000 1.129 112 D HN 0.323 nan 8.370 nan 0.000 0.506 113 R N 1.815 122.424 120.500 0.182 0.000 2.807 113 R HA 0.685 5.025 4.340 -0.000 0.000 0.276 113 R C -1.130 175.374 176.300 0.340 0.000 0.979 113 R CA -0.961 55.260 56.100 0.202 0.000 0.928 113 R CB 2.514 32.897 30.300 0.138 0.000 1.191 113 R HN 0.341 nan 8.270 nan 0.000 0.471 114 F N -0.270 119.752 119.950 0.121 0.000 2.635 114 F HA 0.595 5.122 4.527 -0.000 0.000 0.314 114 F C -1.069 174.794 175.800 0.104 0.000 1.119 114 F CA -0.195 57.885 58.000 0.133 0.000 1.000 114 F CB 2.423 41.478 39.000 0.092 0.000 1.278 114 F HN 0.623 nan 8.300 nan 0.000 0.446 115 G N 4.932 113.508 108.800 -0.374 0.000 2.690 115 G HA2 0.628 4.588 3.960 -0.000 0.000 0.293 115 G HA3 0.628 4.588 3.960 -0.000 0.000 0.293 115 G C -2.005 172.757 174.900 -0.230 0.000 1.399 115 G CA -0.830 44.187 45.100 -0.137 0.000 0.890 115 G HN 0.671 nan 8.290 nan 0.000 0.485 116 I N 1.175 121.747 120.570 0.003 0.000 2.354 116 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 116 I C -0.212 175.974 176.117 0.115 0.000 0.989 116 I CA -0.549 60.800 61.300 0.082 0.000 1.188 116 I CB 1.600 39.734 38.000 0.223 0.000 1.342 116 I HN 0.077 nan 8.210 nan 0.000 0.457 117 L N 5.659 126.960 121.223 0.129 0.000 2.344 117 L HA 0.628 4.968 4.340 -0.000 0.000 0.272 117 L C 0.370 177.421 176.870 0.302 0.000 1.035 117 L CA -0.480 54.447 54.840 0.145 0.000 0.807 117 L CB 1.830 43.913 42.059 0.039 0.000 1.237 117 L HN 0.635 nan 8.230 nan 0.000 0.442 118 T N -3.536 111.198 114.554 0.300 0.000 2.907 118 T HA 0.219 4.569 4.350 -0.000 0.000 0.290 118 T C 0.625 175.324 174.700 -0.002 0.000 1.066 118 T CA -0.752 61.505 62.100 0.261 0.000 1.012 118 T CB 1.981 71.012 68.868 0.271 0.000 1.184 118 T HN 0.706 nan 8.240 nan 0.000 0.522 119 E N 0.470 120.523 120.200 -0.246 0.000 2.114 119 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 119 E C 1.434 177.590 176.600 -0.740 0.000 1.008 119 E CA 1.584 57.488 56.400 -0.827 0.000 0.810 119 E CB 0.003 29.466 29.700 -0.395 0.000 0.739 119 E HN 0.656 nan 8.360 nan 0.000 0.456 120 K N -1.665 118.399 120.400 -0.559 0.000 2.370 120 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 120 K C -0.303 175.716 176.600 -0.969 0.000 1.070 120 K CA 0.110 55.858 56.287 -0.898 0.000 0.998 120 K CB 0.626 32.437 32.500 -1.148 0.000 0.911 120 K HN 0.043 nan 8.250 nan 0.000 0.533 121 Y N -0.047 120.242 120.300 -0.018 0.000 2.630 121 Y HA 0.475 5.025 4.550 -0.000 0.000 0.337 121 Y C -0.351 175.680 175.900 0.218 0.000 1.051 121 Y CA -1.462 56.685 58.100 0.078 0.000 1.121 121 Y CB 1.168 39.651 38.460 0.037 0.000 1.299 121 Y HN -0.312 nan 8.280 nan 0.000 0.498 122 R N 1.647 122.351 120.500 0.340 0.000 2.439 122 R HA 0.605 4.945 4.340 -0.000 0.000 0.310 122 R C -1.881 174.516 176.300 0.162 0.000 0.955 122 R CA -0.455 55.769 56.100 0.205 0.000 0.853 122 R CB 0.710 31.106 30.300 0.159 0.000 1.171 122 R HN 0.795 nan 8.270 nan 0.000 0.449 123 I N 7.244 127.895 120.570 0.135 0.000 2.307 123 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 123 I C -1.846 174.335 176.117 0.108 0.000 1.021 123 I CA -2.288 59.079 61.300 0.112 0.000 1.224 123 I CB 1.650 39.720 38.000 0.116 0.000 1.376 123 I HN 0.384 nan 8.210 nan 0.000 0.470 124 P HA 0.100 nan 4.420 nan 0.000 0.271 124 P C -0.660 176.714 177.300 0.123 0.000 1.216 124 P CA -0.030 63.133 63.100 0.105 0.000 0.771 124 P CB 1.600 33.347 31.700 0.079 0.000 0.864 125 V N 5.589 125.611 119.914 0.180 0.000 2.495 125 V HA 0.333 4.453 4.120 -0.000 0.000 0.298 125 V C -1.801 174.353 176.094 0.099 0.000 1.031 125 V CA -1.901 60.502 62.300 0.170 0.000 0.871 125 V CB 1.508 33.527 31.823 0.327 0.000 0.988 125 V HN 0.599 nan 8.190 nan 0.000 0.432 126 P HA 0.368 nan 4.420 nan 0.000 0.276 126 P C -0.890 176.360 177.300 -0.083 0.000 1.230 126 P CA -0.037 63.042 63.100 -0.035 0.000 0.776 126 P CB 1.149 32.803 31.700 -0.076 0.000 0.888 127 I N 3.685 124.216 120.570 -0.065 0.000 2.354 127 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 127 I C 0.559 176.619 176.117 -0.095 0.000 1.007 127 I CA -0.816 60.428 61.300 -0.094 0.000 1.167 127 I CB 1.101 39.080 38.000 -0.036 0.000 1.320 127 I HN 0.138 nan 8.210 nan 0.000 0.458 128 L N 7.787 128.920 121.223 -0.151 0.000 2.416 128 L HA 0.384 4.724 4.340 -0.000 0.000 0.262 128 L C -1.005 175.877 176.870 0.021 0.000 1.093 128 L CA -1.455 53.329 54.840 -0.093 0.000 0.801 128 L CB 0.746 42.665 42.059 -0.234 0.000 1.191 128 L HN 0.408 nan 8.230 nan 0.000 0.459 129 P HA -0.103 nan 4.420 nan 0.000 0.231 129 P C 0.884 178.256 177.300 0.121 0.000 1.158 129 P CA 1.026 64.171 63.100 0.076 0.000 0.763 129 P CB 0.302 32.032 31.700 0.051 0.000 0.805 130 G N 0.007 108.945 108.800 0.228 0.000 2.559 130 G HA2 0.103 4.063 3.960 -0.000 0.000 0.209 130 G HA3 0.103 4.063 3.960 -0.000 0.000 0.209 130 G C 0.730 175.800 174.900 0.284 0.000 1.151 130 G CA -0.226 45.017 45.100 0.238 0.000 0.824 130 G HN 0.155 nan 8.290 nan 0.000 0.543 131 L N 1.658 123.068 121.223 0.312 0.000 2.558 131 L HA 0.021 4.361 4.340 -0.000 0.000 0.301 131 L C -0.727 176.236 176.870 0.155 0.000 1.267 131 L CA -0.657 54.331 54.840 0.247 0.000 0.854 131 L CB 0.359 42.448 42.059 0.049 0.000 1.103 131 L HN 0.147 nan 8.230 nan 0.000 0.522 132 P HA -0.087 nan 4.420 nan 0.000 0.245 132 P C 0.860 178.117 177.300 -0.072 0.000 1.212 132 P CA 0.859 63.936 63.100 -0.037 0.000 0.774 132 P CB 0.366 31.939 31.700 -0.211 0.000 0.999 133 M N -0.296 119.244 119.600 -0.100 0.000 2.493 133 M HA 0.107 4.587 4.480 -0.000 0.000 0.244 133 M C 0.716 176.989 176.300 -0.044 0.000 1.182 133 M CA -0.258 54.970 55.300 -0.120 0.000 0.981 133 M CB -0.928 31.538 32.600 -0.223 0.000 1.551 133 M HN -0.013 nan 8.290 nan 0.000 0.476 134 N N 1.433 120.124 118.700 -0.016 0.000 2.530 134 N HA 0.062 4.802 4.740 -0.000 0.000 0.277 134 N C -0.455 175.056 175.510 0.001 0.000 1.168 134 N CA 0.507 53.563 53.050 0.009 0.000 0.979 134 N CB 0.845 39.350 38.487 0.030 0.000 1.141 134 N HN 0.190 nan 8.380 nan 0.000 0.459 135 N N 1.085 119.789 118.700 0.006 0.000 2.387 135 N HA -0.040 4.700 4.740 -0.000 0.000 0.259 135 N C -0.991 174.489 175.510 -0.051 0.000 1.369 135 N CA -0.316 52.712 53.050 -0.037 0.000 0.867 135 N CB 0.103 38.555 38.487 -0.057 0.000 1.341 135 N HN 0.638 nan 8.380 nan 0.000 0.495 136 H N 0.417 119.436 119.070 -0.084 0.000 2.929 136 H HA 0.320 4.876 4.556 -0.000 0.000 0.317 136 H C 1.448 176.700 175.328 -0.126 0.000 1.031 136 H CA 2.178 58.168 56.048 -0.096 0.000 1.466 136 H CB 0.246 29.969 29.762 -0.066 0.000 1.482 136 H HN 0.489 nan 8.280 nan 0.000 0.561 137 G N 3.846 112.185 108.800 -0.769 0.000 2.176 137 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 137 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 137 G C 0.027 174.630 174.900 -0.495 0.000 0.979 137 G CA 0.064 44.799 45.100 -0.609 0.000 0.641 137 G HN 0.703 nan 8.290 nan 0.000 0.530 138 N N -0.366 118.077 118.700 -0.429 0.000 2.472 138 N HA 0.677 5.417 4.740 -0.000 0.000 0.289 138 N C -0.766 174.482 175.510 -0.437 0.000 1.156 138 N CA -0.103 52.741 53.050 -0.343 0.000 0.940 138 N CB 0.903 39.276 38.487 -0.191 0.000 1.200 138 N HN 0.198 nan 8.380 nan 0.000 0.511 139 Y N -0.790 119.434 120.300 -0.127 0.000 2.468 139 Y HA 0.393 4.943 4.550 -0.000 0.000 0.342 139 Y C 0.367 176.190 175.900 -0.128 0.000 1.021 139 Y CA -1.130 56.898 58.100 -0.119 0.000 1.079 139 Y CB 1.551 39.927 38.460 -0.140 0.000 1.226 139 Y HN 0.142 nan 8.280 nan 0.000 0.460 140 V N 4.241 124.196 119.914 0.068 0.000 2.427 140 V HA 0.878 4.998 4.120 -0.000 0.000 0.286 140 V C -0.713 175.418 176.094 0.062 0.000 1.034 140 V CA -0.381 61.927 62.300 0.013 0.000 0.893 140 V CB 0.779 32.593 31.823 -0.016 0.000 0.982 140 V HN 0.759 nan 8.190 nan 0.000 0.452 141 V N 3.820 123.759 119.914 0.041 0.000 3.105 141 V HA 0.721 4.841 4.120 -0.000 0.000 0.311 141 V C -0.346 175.762 176.094 0.025 0.000 1.287 141 V CA -1.347 60.956 62.300 0.005 0.000 1.066 141 V CB 2.274 34.035 31.823 -0.105 0.000 1.105 141 V HN 0.881 nan 8.190 nan 0.000 0.462 142 R N 0.975 121.473 120.500 -0.003 0.000 2.423 142 R HA 0.402 4.742 4.340 -0.000 0.000 0.293 142 R C 0.582 176.836 176.300 -0.076 0.000 1.196 142 R CA -0.584 55.487 56.100 -0.048 0.000 1.262 142 R CB 1.026 31.275 30.300 -0.085 0.000 1.116 142 R HN 0.760 nan 8.270 nan 0.000 0.566 143 L N 2.049 123.233 121.223 -0.064 0.000 2.123 143 L HA -0.217 4.123 4.340 -0.000 0.000 0.217 143 L C 2.062 178.914 176.870 -0.031 0.000 1.081 143 L CA 2.327 57.135 54.840 -0.053 0.000 0.772 143 L CB -0.523 41.511 42.059 -0.042 0.000 0.890 143 L HN 0.734 nan 8.230 nan 0.000 0.437 144 G N -2.470 106.291 108.800 -0.066 0.000 2.422 144 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 144 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 144 G C 1.410 176.346 174.900 0.060 0.000 1.146 144 G CA 1.063 46.149 45.100 -0.024 0.000 0.769 144 G HN 0.628 nan 8.290 nan 0.000 0.547 145 H N -1.039 118.047 119.070 0.027 0.000 2.372 145 H HA 0.056 4.612 4.556 -0.000 0.000 0.301 145 H C 2.414 177.771 175.328 0.047 0.000 1.065 145 H CA 0.582 56.650 56.048 0.034 0.000 1.364 145 H CB 0.126 29.902 29.762 0.025 0.000 1.406 145 H HN 0.274 nan 8.280 nan 0.000 0.521 146 L N 0.800 122.091 121.223 0.114 0.000 2.017 146 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 146 L C 2.106 179.061 176.870 0.142 0.000 1.073 146 L CA 1.239 56.097 54.840 0.030 0.000 0.745 146 L CB -0.542 41.416 42.059 -0.167 0.000 0.894 146 L HN 0.054 nan 8.230 nan 0.000 0.432 147 V N -1.080 118.898 119.914 0.107 0.000 2.407 147 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 147 V C 2.762 178.936 176.094 0.132 0.000 1.055 147 V CA 1.757 64.133 62.300 0.126 0.000 1.049 147 V CB -0.815 31.064 31.823 0.094 0.000 0.662 147 V HN 0.622 nan 8.190 nan 0.000 0.455 148 S N -1.329 114.447 115.700 0.126 0.000 2.353 148 S HA -0.297 4.173 4.470 -0.000 0.000 0.222 148 S C 1.651 176.300 174.600 0.082 0.000 1.035 148 S CA 2.174 60.418 58.200 0.074 0.000 1.025 148 S CB -0.505 62.741 63.200 0.077 0.000 0.902 148 S HN 0.736 nan 8.310 nan 0.000 0.440 149 W N 1.557 122.843 121.300 -0.023 0.000 2.321 149 W HA -0.153 4.507 4.660 -0.000 0.000 0.306 149 W C 2.255 178.744 176.519 -0.051 0.000 1.217 149 W CA 1.953 59.272 57.345 -0.045 0.000 1.257 149 W CB -0.338 29.090 29.460 -0.053 0.000 1.145 149 W HN 0.292 nan 8.180 nan 0.000 0.509 150 M N -0.047 119.687 119.600 0.224 0.000 2.175 150 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 150 M C 2.351 178.631 176.300 -0.035 0.000 1.063 150 M CA 1.850 57.219 55.300 0.116 0.000 1.119 150 M CB -1.163 31.645 32.600 0.346 0.000 1.377 150 M HN 0.229 nan 8.290 nan 0.000 0.415 151 G N -0.184 108.610 108.800 -0.010 0.000 2.442 151 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 151 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 151 G C 1.327 176.161 174.900 -0.110 0.000 1.141 151 G CA 0.856 45.938 45.100 -0.031 0.000 0.763 151 G HN 0.470 nan 8.290 nan 0.000 0.554 152 E N -0.192 119.886 120.200 -0.204 0.000 2.058 152 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 152 E C 2.815 179.240 176.600 -0.291 0.000 0.997 152 E CA 1.093 57.338 56.400 -0.260 0.000 0.801 152 E CB -0.002 29.483 29.700 -0.358 0.000 0.746 152 E HN 0.330 nan 8.360 nan 0.000 0.450 153 Q N -0.066 119.468 119.800 -0.443 0.000 2.061 153 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 153 Q C 2.206 178.147 176.000 -0.099 0.000 0.984 153 Q CA 1.379 56.981 55.803 -0.335 0.000 0.846 153 Q CB -0.554 27.895 28.738 -0.481 0.000 0.902 153 Q HN 0.267 nan 8.270 nan 0.000 0.421 154 A N 1.730 124.522 122.820 -0.047 0.000 1.859 154 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 154 A C 2.052 179.617 177.584 -0.031 0.000 1.198 154 A CA 1.852 53.892 52.037 0.004 0.000 0.629 154 A CB -0.691 18.322 19.000 0.021 0.000 0.830 154 A HN 0.438 nan 8.150 nan 0.000 0.446 155 E N -0.504 119.661 120.200 -0.059 0.000 2.097 155 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 155 E C 2.306 178.869 176.600 -0.063 0.000 1.000 155 E CA 1.118 57.478 56.400 -0.066 0.000 0.804 155 E CB -0.335 29.317 29.700 -0.081 0.000 0.740 155 E HN 0.640 nan 8.360 nan 0.000 0.454 156 A N 0.856 123.631 122.820 -0.075 0.000 1.933 156 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 156 A C 2.012 179.573 177.584 -0.038 0.000 1.175 156 A CA 0.996 52.995 52.037 -0.063 0.000 0.628 156 A CB -0.283 18.668 19.000 -0.083 0.000 0.814 156 A HN 0.108 nan 8.150 nan 0.000 0.444 157 L N -1.215 119.992 121.223 -0.027 0.000 2.551 157 L HA 0.167 4.507 4.340 -0.000 0.000 0.228 157 L C 1.735 178.594 176.870 -0.018 0.000 1.153 157 L CA 1.321 56.153 54.840 -0.014 0.000 0.851 157 L CB -0.524 41.535 42.059 -0.000 0.000 0.959 157 L HN 0.679 nan 8.230 nan 0.000 0.451 158 G N -1.747 107.038 108.800 -0.025 0.000 2.148 158 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.203 158 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.203 158 G C 0.200 175.087 174.900 -0.021 0.000 0.993 158 G CA -0.024 45.062 45.100 -0.024 0.000 0.661 158 G HN 0.067 nan 8.290 nan 0.000 0.518 159 V N 0.872 120.774 119.914 -0.020 0.000 2.614 159 V HA 0.318 4.438 4.120 -0.000 0.000 0.291 159 V C 0.744 176.820 176.094 -0.030 0.000 1.049 159 V CA 0.025 62.319 62.300 -0.010 0.000 1.038 159 V CB 1.473 33.296 31.823 0.001 0.000 0.980 159 V HN 0.380 nan 8.190 nan 0.000 0.481 160 E N 3.180 123.370 120.200 -0.015 0.000 2.001 160 E HA 0.322 4.672 4.350 -0.000 0.000 0.279 160 E C -0.901 175.647 176.600 -0.088 0.000 1.045 160 E CA -0.303 56.041 56.400 -0.093 0.000 0.833 160 E CB 1.311 30.997 29.700 -0.024 0.000 1.077 160 E HN 0.501 nan 8.360 nan 0.000 0.397 161 V N 4.115 123.933 119.914 -0.159 0.000 2.465 161 V HA 0.134 4.254 4.120 -0.000 0.000 0.279 161 V C -0.640 175.352 176.094 -0.169 0.000 1.045 161 V CA -0.516 61.751 62.300 -0.054 0.000 0.938 161 V CB 0.326 32.135 31.823 -0.024 0.000 0.986 161 V HN 0.575 nan 8.190 nan 0.000 0.467 162 Y N 5.820 126.122 120.300 0.003 0.000 2.837 162 Y HA 0.374 4.924 4.550 -0.000 0.000 0.356 162 Y C -2.167 173.859 175.900 0.209 0.000 1.035 162 Y CA -2.884 55.240 58.100 0.039 0.000 1.165 162 Y CB 0.752 39.086 38.460 -0.210 0.000 1.147 162 Y HN 0.486 nan 8.280 nan 0.000 0.628 163 P HA 0.213 nan 4.420 nan 0.000 0.274 163 P C 0.921 178.368 177.300 0.246 0.000 1.237 163 P CA 0.633 63.867 63.100 0.222 0.000 0.793 163 P CB 1.637 33.420 31.700 0.139 0.000 0.977 164 G N 0.200 109.071 108.800 0.119 0.000 2.176 164 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 164 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 164 G C -0.542 174.286 174.900 -0.119 0.000 0.979 164 G CA -0.183 44.905 45.100 -0.020 0.000 0.641 164 G HN 0.487 nan 8.290 nan 0.000 0.530 165 Y N 1.285 121.636 120.300 0.085 0.000 2.369 165 Y HA 0.661 5.211 4.550 -0.000 0.000 0.337 165 Y C 0.585 176.534 175.900 0.082 0.000 0.961 165 Y CA -0.269 57.875 58.100 0.074 0.000 1.186 165 Y CB 1.674 40.168 38.460 0.058 0.000 1.139 165 Y HN 0.475 nan 8.280 nan 0.000 0.494 166 A N 2.519 125.455 122.820 0.194 0.000 2.305 166 A HA 0.809 5.129 4.320 -0.000 0.000 0.322 166 A C -0.247 177.461 177.584 0.206 0.000 1.187 166 A CA -0.665 51.495 52.037 0.205 0.000 0.825 166 A CB 0.347 19.466 19.000 0.199 0.000 1.164 166 A HN 0.808 nan 8.150 nan 0.000 0.498 167 A N 1.613 124.560 122.820 0.212 0.000 2.404 167 A HA 0.548 4.868 4.320 -0.000 0.000 0.273 167 A C 0.912 178.666 177.584 0.283 0.000 1.144 167 A CA 0.293 52.443 52.037 0.188 0.000 0.806 167 A CB 0.036 19.118 19.000 0.136 0.000 1.080 167 A HN 1.897 nan 8.150 nan 0.000 0.509 168 A N 2.276 125.247 122.820 0.252 0.000 2.419 168 A HA 0.438 4.758 4.320 -0.000 0.000 0.233 168 A C 0.469 178.215 177.584 0.269 0.000 1.217 168 A CA 0.416 52.648 52.037 0.325 0.000 0.944 168 A CB 0.214 19.402 19.000 0.312 0.000 1.025 168 A HN 0.794 nan 8.150 nan 0.000 0.524 169 E N -0.127 120.181 120.200 0.179 0.000 2.331 169 E HA 0.569 4.919 4.350 -0.000 0.000 0.275 169 E C -1.633 174.998 176.600 0.052 0.000 0.895 169 E CA -0.646 55.830 56.400 0.127 0.000 0.753 169 E CB 1.596 31.378 29.700 0.137 0.000 1.216 169 E HN 0.277 nan 8.360 nan 0.000 0.434 170 I N 4.014 124.583 120.570 -0.001 0.000 2.331 170 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 170 I C -0.623 175.294 176.117 -0.333 0.000 0.998 170 I CA -0.819 60.379 61.300 -0.171 0.000 1.267 170 I CB 0.754 38.582 38.000 -0.287 0.000 1.386 170 I HN 0.354 nan 8.210 nan 0.000 0.476 171 L N 7.362 128.364 121.223 -0.369 0.000 2.275 171 L HA 0.455 4.795 4.340 -0.000 0.000 0.288 171 L C -0.525 176.028 176.870 -0.529 0.000 1.046 171 L CA 0.237 54.884 54.840 -0.321 0.000 0.805 171 L CB 0.522 42.440 42.059 -0.236 0.000 1.193 171 L HN 0.273 nan 8.230 nan 0.000 0.426 172 F N 1.792 121.696 119.950 -0.077 0.000 2.507 172 F HA 0.490 5.017 4.527 -0.000 0.000 0.327 172 F C 0.785 176.525 175.800 -0.100 0.000 1.068 172 F CA -0.731 57.231 58.000 -0.062 0.000 0.965 172 F CB 1.001 40.008 39.000 0.010 0.000 1.192 172 F HN 0.371 nan 8.300 nan 0.000 0.476 173 H N 0.311 119.508 119.070 0.212 0.000 2.505 173 H HA 0.162 4.718 4.556 -0.000 0.000 0.358 173 H C 0.808 176.208 175.328 0.120 0.000 1.304 173 H CA -0.190 55.925 56.048 0.112 0.000 1.393 173 H CB 1.068 30.883 29.762 0.088 0.000 1.591 173 H HN 0.554 nan 8.280 nan 0.000 0.595 174 E N 0.652 120.991 120.200 0.232 0.000 2.152 174 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 174 E C 1.396 178.061 176.600 0.109 0.000 0.983 174 E CA 1.157 57.635 56.400 0.129 0.000 0.818 174 E CB -0.333 29.418 29.700 0.085 0.000 0.758 174 E HN 0.668 nan 8.360 nan 0.000 0.467 175 D N -1.703 118.772 120.400 0.125 0.000 2.218 175 D HA -0.046 4.594 4.640 -0.000 0.000 0.204 175 D C 1.353 177.725 176.300 0.120 0.000 0.976 175 D CA 1.438 55.498 54.000 0.101 0.000 0.853 175 D CB -0.193 40.661 40.800 0.090 0.000 0.939 175 D HN 0.233 nan 8.370 nan 0.000 0.481 176 G N -0.870 108.038 108.800 0.181 0.000 2.227 176 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.168 176 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.168 176 G C 0.296 175.423 174.900 0.379 0.000 1.006 176 G CA 0.108 45.312 45.100 0.172 0.000 0.684 176 G HN 0.776 nan 8.290 nan 0.000 0.489 177 S N -0.126 115.815 115.700 0.402 0.000 2.652 177 S HA 0.723 5.192 4.470 -0.000 0.000 0.270 177 S C 0.465 175.318 174.600 0.422 0.000 1.243 177 S CA -0.386 58.081 58.200 0.444 0.000 0.999 177 S CB 2.274 65.659 63.200 0.308 0.000 0.973 177 S HN 0.933 nan 8.310 nan 0.000 0.544 178 V N 2.667 122.780 119.914 0.332 0.000 2.585 178 V HA 0.134 4.254 4.120 -0.000 0.000 0.296 178 V C 1.538 177.571 176.094 -0.101 0.000 1.035 178 V CA 0.150 62.498 62.300 0.079 0.000 1.084 178 V CB 0.742 32.688 31.823 0.205 0.000 0.953 178 V HN 1.066 nan 8.190 nan 0.000 0.483 179 K N 2.864 123.026 120.400 -0.397 0.000 2.334 179 K HA 0.333 4.653 4.320 -0.000 0.000 0.195 179 K C 0.711 177.101 176.600 -0.350 0.000 1.045 179 K CA 1.001 56.862 56.287 -0.710 0.000 1.004 179 K CB 0.576 32.420 32.500 -1.093 0.000 0.837 179 K HN 0.964 nan 8.250 nan 0.000 0.510 180 G N 0.756 109.411 108.800 -0.242 0.000 2.332 180 G HA2 0.152 4.112 3.960 -0.000 0.000 0.265 180 G HA3 0.152 4.112 3.960 -0.000 0.000 0.265 180 G C -1.467 173.365 174.900 -0.114 0.000 1.329 180 G CA -0.339 44.684 45.100 -0.130 0.000 0.949 180 G HN 0.197 nan 8.290 nan 0.000 0.476 181 I N -2.221 118.309 120.570 -0.067 0.000 3.294 181 I HA 1.022 5.192 4.170 -0.000 0.000 0.311 181 I C 0.089 176.211 176.117 0.008 0.000 1.111 181 I CA -1.204 60.074 61.300 -0.037 0.000 0.976 181 I CB 1.820 39.791 38.000 -0.049 0.000 1.260 181 I HN 1.735 nan 8.210 nan 0.000 0.474 182 A N 0.769 123.609 122.820 0.035 0.000 2.414 182 A HA 0.791 5.111 4.320 -0.000 0.000 0.306 182 A C -0.150 177.481 177.584 0.077 0.000 1.054 182 A CA -0.153 51.916 52.037 0.054 0.000 0.724 182 A CB 0.856 19.897 19.000 0.070 0.000 1.267 182 A HN 1.032 nan 8.150 nan 0.000 0.418 183 T N 0.559 115.161 114.554 0.080 0.000 2.828 183 T HA 0.330 4.680 4.350 -0.000 0.000 0.290 183 T C 0.443 175.221 174.700 0.129 0.000 1.019 183 T CA -0.571 61.611 62.100 0.136 0.000 1.031 183 T CB 0.242 69.251 68.868 0.236 0.000 1.001 183 T HN 0.853 nan 8.240 nan 0.000 0.531 184 N N 1.647 120.433 118.700 0.143 0.000 2.416 184 N HA 0.012 4.752 4.740 -0.000 0.000 0.246 184 N C -0.685 174.867 175.510 0.070 0.000 1.260 184 N CA -0.216 52.921 53.050 0.145 0.000 0.897 184 N CB 0.165 38.738 38.487 0.144 0.000 1.110 184 N HN 0.608 nan 8.380 nan 0.000 0.439 185 D N -0.213 120.217 120.400 0.051 0.000 2.440 185 D HA 0.529 5.169 4.640 -0.000 0.000 0.269 185 D C -0.111 176.177 176.300 -0.019 0.000 1.249 185 D CA -0.177 53.790 54.000 -0.056 0.000 1.055 185 D CB 0.826 41.580 40.800 -0.077 0.000 1.104 185 D HN 0.339 nan 8.370 nan 0.000 0.561 186 V N -1.752 118.117 119.914 -0.076 0.000 3.048 186 V HA 0.605 4.725 4.120 -0.000 0.000 0.303 186 V C 0.074 176.211 176.094 0.072 0.000 1.214 186 V CA -0.512 61.785 62.300 -0.004 0.000 0.984 186 V CB 1.780 33.564 31.823 -0.064 0.000 1.054 186 V HN 0.779 nan 8.190 nan 0.000 0.430 187 G N 3.421 112.304 108.800 0.138 0.000 2.520 187 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.264 187 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.264 187 G C -0.827 174.253 174.900 0.301 0.000 1.140 187 G CA 0.071 45.286 45.100 0.192 0.000 1.012 187 G HN 0.665 nan 8.290 nan 0.000 0.511 188 I N 0.396 121.101 120.570 0.225 0.000 2.582 188 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 188 I C 0.535 176.723 176.117 0.119 0.000 1.066 188 I CA -1.141 60.280 61.300 0.202 0.000 1.053 188 I CB 2.017 40.176 38.000 0.264 0.000 1.241 188 I HN 0.454 nan 8.210 nan 0.000 0.421 189 Q N 4.644 124.489 119.800 0.074 0.000 2.260 189 Q HA 0.323 4.663 4.340 -0.000 0.000 0.242 189 Q C 0.531 176.564 176.000 0.056 0.000 0.932 189 Q CA -0.812 55.021 55.803 0.051 0.000 0.891 189 Q CB 1.753 30.500 28.738 0.015 0.000 1.222 189 Q HN 0.505 nan 8.270 nan 0.000 0.453 190 K N 1.019 121.447 120.400 0.047 0.000 2.184 190 K HA -0.296 4.024 4.320 -0.000 0.000 0.210 190 K C 1.285 177.905 176.600 0.034 0.000 1.048 190 K CA 2.497 58.807 56.287 0.039 0.000 0.931 190 K CB -0.113 32.401 32.500 0.024 0.000 0.718 190 K HN 0.884 nan 8.250 nan 0.000 0.465 191 D N -2.423 117.992 120.400 0.025 0.000 2.355 191 D HA 0.020 4.660 4.640 -0.000 0.000 0.218 191 D C 1.206 177.529 176.300 0.039 0.000 1.004 191 D CA 1.040 55.049 54.000 0.015 0.000 0.880 191 D CB 0.340 41.137 40.800 -0.005 0.000 0.911 191 D HN 0.431 nan 8.370 nan 0.000 0.528 192 G N -0.344 108.505 108.800 0.082 0.000 2.278 192 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.210 192 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.210 192 G C 0.524 175.572 174.900 0.247 0.000 1.000 192 G CA 0.141 45.344 45.100 0.171 0.000 0.635 192 G HN 0.782 nan 8.290 nan 0.000 0.495 193 A N 2.185 125.037 122.820 0.053 0.000 2.445 193 A HA 0.640 4.960 4.320 -0.000 0.000 0.242 193 A C -1.505 175.907 177.584 -0.287 0.000 1.075 193 A CA -0.362 51.584 52.037 -0.153 0.000 0.777 193 A CB 0.246 19.151 19.000 -0.159 0.000 1.013 193 A HN 0.291 nan 8.150 nan 0.000 0.493 194 P HA 0.247 nan 4.420 nan 0.000 0.279 194 P C -0.803 176.271 177.300 -0.378 0.000 1.239 194 P CA -0.153 62.446 63.100 -0.836 0.000 0.789 194 P CB 0.939 31.614 31.700 -1.708 0.000 0.933 195 K N 0.609 120.925 120.400 -0.140 0.000 2.090 195 K HA 0.245 4.565 4.320 -0.000 0.000 0.249 195 K C 1.692 178.279 176.600 -0.021 0.000 0.995 195 K CA -0.374 55.882 56.287 -0.051 0.000 0.914 195 K CB 0.323 32.836 32.500 0.022 0.000 1.057 195 K HN 0.413 nan 8.250 nan 0.000 0.462 196 T N -3.034 111.506 114.554 -0.023 0.000 2.881 196 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 196 T C 1.619 176.335 174.700 0.027 0.000 1.068 196 T CA 1.650 63.745 62.100 -0.010 0.000 1.131 196 T CB -0.580 68.278 68.868 -0.017 0.000 0.871 196 T HN 0.757 nan 8.240 nan 0.000 0.479 197 T N -0.749 113.827 114.554 0.037 0.000 3.272 197 T HA 0.274 4.624 4.350 -0.000 0.000 0.250 197 T C 0.175 174.919 174.700 0.073 0.000 1.082 197 T CA -0.859 61.263 62.100 0.037 0.000 0.968 197 T CB -1.161 67.719 68.868 0.020 0.000 1.015 197 T HN 0.309 nan 8.240 nan 0.000 0.563 198 F N 2.609 122.533 119.950 -0.043 0.000 2.572 198 F HA 0.368 4.895 4.527 0.000 0.000 0.370 198 F C 0.316 176.107 175.800 -0.016 0.000 1.103 198 F CA -0.487 57.502 58.000 -0.019 0.000 1.286 198 F CB 0.292 39.272 39.000 -0.034 0.000 1.105 198 F HN 0.211 nan 8.300 nan 0.000 0.583 199 E N 5.335 125.049 120.200 -0.810 0.000 2.321 199 E HA 0.263 4.613 4.350 -0.000 0.000 0.278 199 E C -0.899 175.169 176.600 -0.887 0.000 0.902 199 E CA -1.095 54.899 56.400 -0.677 0.000 0.758 199 E CB 1.841 31.345 29.700 -0.327 0.000 1.213 199 E HN 0.529 nan 8.360 nan 0.000 0.426 200 R N 1.001 121.097 120.500 -0.674 0.000 2.441 200 R HA 0.318 4.658 4.340 -0.000 0.000 0.284 200 R C 0.508 176.654 176.300 -0.257 0.000 1.070 200 R CA -0.147 55.685 56.100 -0.447 0.000 1.047 200 R CB 1.172 31.314 30.300 -0.263 0.000 1.016 200 R HN 0.652 nan 8.270 nan 0.000 0.477 201 G N 1.891 110.601 108.800 -0.149 0.000 0.000 201 G HA2 0.068 4.028 3.960 -0.000 0.000 0.000 201 G HA3 0.068 4.028 3.960 -0.000 0.000 0.000 201 G C -0.418 174.468 174.900 -0.023 0.000 0.000 201 G CA -0.574 44.498 45.100 -0.046 0.000 0.000 201 G HN 0.273 nan 8.290 nan 0.000 0.000 202 L N -0.222 121.020 121.223 0.031 0.000 2.379 202 L HA 0.437 4.777 4.340 -0.000 0.000 0.269 202 L C 0.107 176.974 176.870 -0.004 0.000 1.084 202 L CA -0.176 54.667 54.840 0.003 0.000 0.802 202 L CB 1.342 43.380 42.059 -0.034 0.000 1.175 202 L HN 0.555 nan 8.230 nan 0.000 0.448 203 E N 4.476 124.669 120.200 -0.012 0.000 2.129 203 E HA 0.362 4.712 4.350 -0.000 0.000 0.268 203 E C -1.131 175.436 176.600 -0.054 0.000 0.900 203 E CA -0.479 55.934 56.400 0.021 0.000 0.755 203 E CB 1.805 31.558 29.700 0.087 0.000 1.117 203 E HN 0.424 nan 8.360 nan 0.000 0.410 204 L N 4.397 125.627 121.223 0.012 0.000 2.295 204 L HA 0.332 4.672 4.340 -0.000 0.000 0.281 204 L C -0.175 176.782 176.870 0.145 0.000 1.018 204 L CA -0.407 54.415 54.840 -0.029 0.000 0.841 204 L CB 0.587 42.567 42.059 -0.131 0.000 1.218 204 L HN 0.456 nan 8.230 nan 0.000 0.424 205 H N 2.469 121.506 119.070 -0.055 0.000 2.473 205 H HA 0.744 5.300 4.556 -0.000 0.000 0.327 205 H C -0.227 175.086 175.328 -0.024 0.000 1.105 205 H CA -0.759 55.267 56.048 -0.037 0.000 1.280 205 H CB 1.911 31.674 29.762 0.002 0.000 1.450 205 H HN 0.712 nan 8.280 nan 0.000 0.492 206 A N 2.078 124.951 122.820 0.088 0.000 2.564 206 A HA 0.294 4.614 4.320 -0.000 0.000 0.288 206 A C 0.271 177.894 177.584 0.064 0.000 1.164 206 A CA -0.907 51.161 52.037 0.053 0.000 0.712 206 A CB 1.629 20.629 19.000 0.001 0.000 1.303 206 A HN 0.766 nan 8.150 nan 0.000 0.418 207 K N -0.763 119.667 120.400 0.050 0.000 2.186 207 K HA 0.235 4.555 4.320 -0.000 0.000 0.202 207 K C 0.072 176.692 176.600 0.033 0.000 1.052 207 K CA 1.427 57.747 56.287 0.056 0.000 0.965 207 K CB 0.384 32.903 32.500 0.032 0.000 0.746 207 K HN 0.464 nan 8.250 nan 0.000 0.457 208 V N 1.061 120.976 119.914 0.002 0.000 2.777 208 V HA 0.242 4.362 4.120 -0.000 0.000 0.306 208 V C -1.684 174.378 176.094 -0.053 0.000 1.112 208 V CA -0.568 61.714 62.300 -0.029 0.000 0.917 208 V CB 2.232 34.028 31.823 -0.045 0.000 1.018 208 V HN 0.007 nan 8.190 nan 0.000 0.426 209 T N 8.041 122.562 114.554 -0.056 0.000 2.771 209 T HA 0.601 4.951 4.350 -0.000 0.000 0.281 209 T C -0.226 174.369 174.700 -0.175 0.000 0.982 209 T CA -0.114 61.892 62.100 -0.157 0.000 0.978 209 T CB 0.974 69.718 68.868 -0.207 0.000 0.930 209 T HN 0.549 nan 8.240 nan 0.000 0.447 210 I N 3.508 123.930 120.570 -0.247 0.000 2.353 210 I HA 0.367 4.537 4.170 -0.000 0.000 0.293 210 I C -0.768 175.194 176.117 -0.259 0.000 0.992 210 I CA -0.646 60.571 61.300 -0.139 0.000 1.268 210 I CB 0.876 38.812 38.000 -0.106 0.000 1.387 210 I HN 0.522 nan 8.210 nan 0.000 0.478 211 F N 5.053 125.020 119.950 0.028 0.000 2.361 211 F HA 0.470 4.997 4.527 -0.000 0.000 0.364 211 F C 0.623 176.456 175.800 0.056 0.000 1.117 211 F CA -0.456 57.573 58.000 0.047 0.000 1.071 211 F CB 1.488 40.525 39.000 0.061 0.000 1.188 211 F HN 0.466 nan 8.300 nan 0.000 0.464 212 A N 2.867 125.779 122.820 0.154 0.000 2.956 212 A HA 0.317 4.637 4.320 -0.000 0.000 0.294 212 A C 0.898 178.565 177.584 0.138 0.000 0.993 212 A CA -0.345 51.775 52.037 0.138 0.000 1.032 212 A CB -0.423 18.637 19.000 0.100 0.000 1.129 212 A HN 0.796 nan 8.150 nan 0.000 0.505 213 E N 0.456 120.752 120.200 0.160 0.000 2.516 213 E HA 0.248 4.598 4.350 -0.000 0.000 0.199 213 E C 1.251 177.926 176.600 0.126 0.000 1.069 213 E CA 0.446 56.939 56.400 0.155 0.000 0.876 213 E CB 0.014 29.818 29.700 0.174 0.000 0.843 213 E HN 0.952 nan 8.360 nan 0.000 0.530 214 G N 1.025 109.894 108.800 0.115 0.000 2.750 214 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.228 214 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.228 214 G C 0.009 174.969 174.900 0.100 0.000 1.367 214 G CA -0.555 44.604 45.100 0.099 0.000 0.871 214 G HN 0.351 nan 8.290 nan 0.000 0.560 215 C N 0.879 120.242 119.300 0.106 0.000 2.409 215 C HA 0.353 4.813 4.460 -0.000 0.000 0.399 215 C C 1.476 176.604 174.990 0.232 0.000 1.505 215 C CA 1.981 61.102 59.018 0.171 0.000 1.435 215 C CB -2.336 25.502 27.740 0.162 0.000 2.462 215 C HN 2.088 nan 8.230 nan 0.000 0.619 216 H N 2.358 121.541 119.070 0.188 0.000 2.748 216 H HA -0.145 4.411 4.556 -0.000 0.000 0.322 216 H C 0.763 176.113 175.328 0.036 0.000 1.208 216 H CA 0.862 56.985 56.048 0.124 0.000 1.151 216 H CB -1.044 28.679 29.762 -0.066 0.000 1.505 216 H HN 1.080 nan 8.280 nan 0.000 0.429 217 G N 0.574 109.394 108.800 0.033 0.000 2.432 217 G HA2 0.074 4.034 3.960 -0.000 0.000 0.239 217 G HA3 0.074 4.034 3.960 -0.000 0.000 0.239 217 G C 1.064 175.998 174.900 0.058 0.000 1.291 217 G CA 0.039 45.180 45.100 0.068 0.000 0.863 217 G HN 0.785 nan 8.290 nan 0.000 0.560 218 H N 1.799 120.928 119.070 0.098 0.000 2.495 218 H HA 0.002 4.558 4.556 -0.000 0.000 0.287 218 H C 1.681 177.038 175.328 0.048 0.000 1.033 218 H CA 0.651 56.780 56.048 0.136 0.000 1.307 218 H CB 0.086 30.060 29.762 0.353 0.000 1.401 218 H HN 0.323 nan 8.280 nan 0.000 0.555 219 L N 1.501 122.447 121.223 -0.462 0.000 2.095 219 L HA 0.155 4.495 4.340 -0.000 0.000 0.204 219 L C 3.035 179.689 176.870 -0.361 0.000 1.080 219 L CA 1.653 56.237 54.840 -0.427 0.000 0.759 219 L CB -1.274 40.695 42.059 -0.150 0.000 0.914 219 L HN 0.393 nan 8.230 nan 0.000 0.439 220 A N -0.596 122.005 122.820 -0.365 0.000 1.940 220 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 220 A C 2.406 179.507 177.584 -0.805 0.000 1.176 220 A CA 2.046 53.697 52.037 -0.642 0.000 0.631 220 A CB -0.566 18.078 19.000 -0.593 0.000 0.814 220 A HN 0.410 nan 8.150 nan 0.000 0.446 221 K N 0.085 120.191 120.400 -0.490 0.000 2.074 221 K HA -0.266 4.054 4.320 -0.000 0.000 0.209 221 K C 2.222 178.724 176.600 -0.164 0.000 1.048 221 K CA 1.956 58.083 56.287 -0.267 0.000 0.926 221 K CB -0.231 32.187 32.500 -0.138 0.000 0.713 221 K HN 0.804 nan 8.250 nan 0.000 0.444 222 Q N -0.267 119.421 119.800 -0.186 0.000 2.389 222 Q HA -0.076 4.263 4.340 -0.000 0.000 0.204 222 Q C 1.926 177.838 176.000 -0.146 0.000 0.944 222 Q CA 0.382 56.114 55.803 -0.118 0.000 0.908 222 Q CB -0.019 28.669 28.738 -0.084 0.000 1.002 222 Q HN 0.179 nan 8.270 nan 0.000 0.493 223 L N 0.352 121.403 121.223 -0.287 0.000 2.093 223 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 223 L C 1.799 178.580 176.870 -0.149 0.000 1.085 223 L CA 1.520 56.161 54.840 -0.331 0.000 0.755 223 L CB -0.764 40.897 42.059 -0.663 0.000 0.904 223 L HN 0.133 nan 8.230 nan 0.000 0.435 224 Y N -0.158 120.062 120.300 -0.133 0.000 2.181 224 Y HA -0.259 4.291 4.550 -0.000 0.000 0.288 224 Y C 2.509 178.371 175.900 -0.063 0.000 1.146 224 Y CA 1.182 59.235 58.100 -0.079 0.000 1.164 224 Y CB -0.747 37.669 38.460 -0.074 0.000 0.982 224 Y HN 0.129 nan 8.280 nan 0.000 0.515 225 K N 0.110 120.559 120.400 0.081 0.000 1.984 225 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 225 K C 2.127 178.672 176.600 -0.092 0.000 1.046 225 K CA 1.328 57.610 56.287 -0.009 0.000 0.934 225 K CB -0.264 32.214 32.500 -0.038 0.000 0.717 225 K HN -0.103 nan 8.250 nan 0.000 0.438 226 K N 0.146 120.443 120.400 -0.171 0.000 2.077 226 K HA -0.144 4.176 4.320 -0.000 0.000 0.213 226 K C 0.619 176.871 176.600 -0.580 0.000 1.051 226 K CA 1.708 57.737 56.287 -0.429 0.000 0.929 226 K CB -0.164 32.036 32.500 -0.501 0.000 0.715 226 K HN 0.111 nan 8.250 nan 0.000 0.451 227 F N 0.572 120.443 119.950 -0.133 0.000 2.850 227 F HA 0.207 4.734 4.527 -0.000 0.000 0.306 227 F C -0.072 175.717 175.800 -0.018 0.000 1.162 227 F CA -0.685 57.268 58.000 -0.079 0.000 1.327 227 F CB 0.079 39.013 39.000 -0.110 0.000 0.953 227 F HN -0.005 nan 8.300 nan 0.000 0.507 228 D N 1.681 122.131 120.400 0.083 0.000 2.720 228 D HA -0.216 4.424 4.640 -0.000 0.000 0.229 228 D C 1.014 177.368 176.300 0.090 0.000 1.198 228 D CA 0.569 54.606 54.000 0.062 0.000 0.639 228 D CB -0.577 40.248 40.800 0.042 0.000 1.003 228 D HN 0.398 nan 8.370 nan 0.000 0.411 229 L N -0.053 121.241 121.223 0.118 0.000 2.313 229 L HA -0.019 4.321 4.340 -0.000 0.000 0.214 229 L C 2.232 179.099 176.870 -0.006 0.000 1.119 229 L CA 0.397 55.306 54.840 0.114 0.000 0.809 229 L CB -0.161 42.038 42.059 0.234 0.000 0.933 229 L HN -0.003 nan 8.230 nan 0.000 0.449 230 R N 0.506 120.956 120.500 -0.084 0.000 2.334 230 R HA 0.245 4.584 4.340 -0.000 0.000 0.220 230 R C 1.934 178.187 176.300 -0.078 0.000 0.917 230 R CA 0.612 56.618 56.100 -0.156 0.000 1.073 230 R CB -0.325 29.830 30.300 -0.241 0.000 1.056 230 R HN 0.177 nan 8.270 nan 0.000 0.506 231 A N 1.744 124.546 122.820 -0.031 0.000 1.958 231 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 231 A C 1.029 178.605 177.584 -0.014 0.000 1.178 231 A CA 1.647 53.675 52.037 -0.013 0.000 0.642 231 A CB -0.270 18.736 19.000 0.011 0.000 0.816 231 A HN 0.357 nan 8.150 nan 0.000 0.453 232 N N -1.591 117.100 118.700 -0.014 0.000 2.480 232 N HA 0.334 5.074 4.740 -0.000 0.000 0.281 232 N C -0.682 174.814 175.510 -0.023 0.000 1.381 232 N CA 0.314 53.360 53.050 -0.008 0.000 0.903 232 N CB 0.979 39.474 38.487 0.012 0.000 1.274 232 N HN 0.656 nan 8.380 nan 0.000 0.505 233 C N -2.232 117.038 119.300 -0.049 0.000 3.291 233 C HA 0.544 5.004 4.460 -0.000 0.000 0.316 233 C C -0.460 174.491 174.990 -0.065 0.000 1.391 233 C CA -1.269 57.708 59.018 -0.068 0.000 1.394 233 C CB 1.395 29.071 27.740 -0.107 0.000 1.744 233 C HN 0.198 nan 8.230 nan 0.000 0.461 234 E N 2.416 122.586 120.200 -0.050 0.000 2.313 234 E HA 0.407 4.757 4.350 -0.000 0.000 0.272 234 E C -2.267 174.306 176.600 -0.046 0.000 1.038 234 E CA -1.329 55.061 56.400 -0.017 0.000 0.863 234 E CB 0.960 30.692 29.700 0.053 0.000 1.060 234 E HN 0.576 nan 8.360 nan 0.000 0.402 235 P HA -0.104 nan 4.420 nan 0.000 0.266 235 P C -0.492 176.723 177.300 -0.142 0.000 1.195 235 P CA -0.046 62.996 63.100 -0.097 0.000 0.768 235 P CB 0.652 32.317 31.700 -0.059 0.000 0.838 236 Q N 2.004 121.678 119.800 -0.211 0.000 2.315 236 Q HA 0.133 4.473 4.340 -0.000 0.000 0.289 236 Q C -0.048 175.660 176.000 -0.487 0.000 1.044 236 Q CA 0.631 56.205 55.803 -0.382 0.000 0.920 236 Q CB -0.162 28.304 28.738 -0.452 0.000 1.214 236 Q HN 0.565 nan 8.270 nan 0.000 0.392 237 T N 2.584 116.789 114.554 -0.582 0.000 2.888 237 T HA 0.708 5.058 4.350 -0.000 0.000 0.284 237 T C -1.029 173.384 174.700 -0.479 0.000 1.017 237 T CA -0.407 61.436 62.100 -0.428 0.000 1.022 237 T CB 0.471 69.068 68.868 -0.452 0.000 1.013 237 T HN 0.441 nan 8.240 nan 0.000 0.465 238 Y N 0.585 120.819 120.300 -0.110 0.000 2.693 238 Y HA 0.807 5.357 4.550 -0.000 0.000 0.331 238 Y C 0.808 176.692 175.900 -0.027 0.000 1.092 238 Y CA -0.930 57.130 58.100 -0.067 0.000 1.131 238 Y CB 1.875 40.292 38.460 -0.071 0.000 1.318 238 Y HN 1.076 nan 8.280 nan 0.000 0.510 239 G N 0.077 108.998 108.800 0.201 0.000 2.642 239 G HA2 0.620 4.580 3.960 -0.000 0.000 0.293 239 G HA3 0.620 4.580 3.960 -0.000 0.000 0.293 239 G C -2.141 172.816 174.900 0.095 0.000 1.341 239 G CA -0.776 44.407 45.100 0.140 0.000 0.916 239 G HN 0.647 nan 8.290 nan 0.000 0.474 240 I N 1.051 121.666 120.570 0.075 0.000 2.406 240 I HA 0.659 4.829 4.170 -0.000 0.000 0.290 240 I C 0.227 176.360 176.117 0.027 0.000 0.999 240 I CA -0.877 60.455 61.300 0.053 0.000 1.124 240 I CB 1.495 39.545 38.000 0.083 0.000 1.289 240 I HN 0.576 nan 8.210 nan 0.000 0.441 241 G N 7.922 116.724 108.800 0.004 0.000 2.370 241 G HA2 0.601 4.561 3.960 -0.000 0.000 0.317 241 G HA3 0.601 4.561 3.960 -0.000 0.000 0.317 241 G C -1.187 173.675 174.900 -0.065 0.000 1.162 241 G CA -0.460 44.624 45.100 -0.027 0.000 0.922 241 G HN 0.492 nan 8.290 nan 0.000 0.454 242 L N 1.928 123.054 121.223 -0.161 0.000 2.317 242 L HA 0.687 5.026 4.340 -0.000 0.000 0.281 242 L C 0.272 176.863 176.870 -0.465 0.000 1.024 242 L CA -0.635 54.050 54.840 -0.259 0.000 0.810 242 L CB 2.085 44.042 42.059 -0.170 0.000 1.240 242 L HN 0.505 nan 8.230 nan 0.000 0.427 243 K N 2.681 122.912 120.400 -0.283 0.000 2.527 243 K HA 0.611 4.931 4.320 -0.000 0.000 0.260 243 K C -1.724 174.940 176.600 0.107 0.000 0.937 243 K CA -0.581 55.636 56.287 -0.118 0.000 0.826 243 K CB 2.357 34.838 32.500 -0.031 0.000 1.359 243 K HN 0.758 nan 8.250 nan 0.000 0.434 244 E N 4.021 124.414 120.200 0.322 0.000 2.383 244 E HA 0.381 4.731 4.350 -0.000 0.000 0.275 244 E C -1.126 175.693 176.600 0.364 0.000 0.918 244 E CA -1.085 55.543 56.400 0.380 0.000 0.764 244 E CB 2.024 32.069 29.700 0.574 0.000 1.252 244 E HN 0.328 nan 8.360 nan 0.000 0.449 245 L N 1.763 123.121 121.223 0.225 0.000 2.309 245 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 245 L C -1.283 175.679 176.870 0.153 0.000 1.036 245 L CA -0.608 54.354 54.840 0.203 0.000 0.806 245 L CB 0.702 42.813 42.059 0.086 0.000 1.220 245 L HN 0.578 nan 8.230 nan 0.000 0.429 246 W N 2.432 123.742 121.300 0.017 0.000 2.844 246 W HA 0.544 5.204 4.660 -0.000 0.000 0.340 246 W C -0.912 175.585 176.519 -0.036 0.000 1.093 246 W CA -0.493 56.848 57.345 -0.006 0.000 1.212 246 W CB 1.849 31.308 29.460 -0.001 0.000 1.422 246 W HN -0.056 nan 8.180 nan 0.000 0.515 247 V N 5.362 125.377 119.914 0.167 0.000 2.334 247 V HA 0.429 4.549 4.120 -0.000 0.000 0.281 247 V C 0.200 176.355 176.094 0.101 0.000 1.016 247 V CA -0.779 61.554 62.300 0.054 0.000 0.832 247 V CB 0.011 31.825 31.823 -0.015 0.000 0.999 247 V HN 0.462 nan 8.190 nan 0.000 0.439 248 I N 0.081 120.676 120.570 0.043 0.000 3.217 248 I HA 0.697 4.866 4.170 -0.000 0.000 0.308 248 I C -0.062 176.068 176.117 0.023 0.000 1.091 248 I CA -0.953 60.386 61.300 0.064 0.000 1.013 248 I CB 1.328 39.370 38.000 0.070 0.000 1.250 248 I HN 0.324 nan 8.210 nan 0.000 0.496 249 D N 2.298 122.734 120.400 0.060 0.000 2.434 249 D HA -0.055 4.585 4.640 -0.000 0.000 0.252 249 D C 0.990 177.353 176.300 0.105 0.000 1.185 249 D CA 0.482 54.520 54.000 0.064 0.000 0.886 249 D CB 0.843 41.685 40.800 0.069 0.000 1.148 249 D HN 0.670 nan 8.370 nan 0.000 0.483 250 E N 3.343 123.597 120.200 0.089 0.000 2.333 250 E HA -0.222 4.128 4.350 -0.000 0.000 0.200 250 E C 0.952 177.705 176.600 0.255 0.000 1.010 250 E CA 0.966 57.478 56.400 0.187 0.000 0.841 250 E CB 0.294 30.078 29.700 0.139 0.000 0.757 250 E HN 0.494 nan 8.360 nan 0.000 0.508 251 K N -0.091 120.409 120.400 0.168 0.000 2.155 251 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 251 K C 1.588 178.284 176.600 0.159 0.000 1.052 251 K CA 0.854 57.226 56.287 0.142 0.000 0.948 251 K CB 0.157 32.712 32.500 0.093 0.000 0.728 251 K HN 0.001 nan 8.250 nan 0.000 0.448 252 K N -0.419 120.095 120.400 0.190 0.000 2.397 252 K HA 0.028 4.348 4.320 -0.000 0.000 0.202 252 K C -0.330 176.483 176.600 0.354 0.000 1.022 252 K CA -0.267 56.143 56.287 0.204 0.000 1.141 252 K CB 0.251 32.840 32.500 0.148 0.000 0.857 252 K HN 0.049 nan 8.250 nan 0.000 0.514 253 W N 3.095 124.493 121.300 0.163 0.000 2.316 253 W HA 0.163 4.823 4.660 -0.000 0.000 0.311 253 W C -0.408 176.229 176.519 0.197 0.000 1.217 253 W CA -0.700 56.803 57.345 0.263 0.000 1.199 253 W CB 0.772 30.337 29.460 0.175 0.000 1.202 253 W HN -0.210 nan 8.180 nan 0.000 0.528 254 K N 8.458 128.860 120.400 0.003 0.000 2.920 254 K HA 0.181 4.501 4.320 -0.000 0.000 0.175 254 K C -2.599 173.704 176.600 -0.496 0.000 1.099 254 K CA -1.589 54.471 56.287 -0.377 0.000 0.939 254 K CB 0.952 33.229 32.500 -0.372 0.000 1.148 254 K HN 0.315 nan 8.250 nan 0.000 0.613 255 P HA -0.158 nan 4.420 nan 0.000 0.261 255 P C 0.821 177.996 177.300 -0.207 0.000 1.158 255 P CA 1.390 64.202 63.100 -0.480 0.000 0.758 255 P CB 0.419 31.650 31.700 -0.782 0.000 0.763 256 G N 1.933 110.710 108.800 -0.038 0.000 2.159 256 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.256 256 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.256 256 G C 0.236 175.104 174.900 -0.054 0.000 0.977 256 G CA 0.150 45.229 45.100 -0.035 0.000 0.652 256 G HN 0.846 nan 8.290 nan 0.000 0.531 257 R N -0.062 120.398 120.500 -0.067 0.000 2.404 257 R HA 0.630 4.970 4.340 -0.000 0.000 0.291 257 R C -0.859 175.470 176.300 0.049 0.000 1.025 257 R CA -0.463 55.587 56.100 -0.083 0.000 0.991 257 R CB 1.326 31.459 30.300 -0.279 0.000 1.053 257 R HN 0.123 nan 8.270 nan 0.000 0.479 258 V N 4.391 124.331 119.914 0.042 0.000 2.483 258 V HA 0.281 4.401 4.120 -0.000 0.000 0.297 258 V C -0.954 175.241 176.094 0.169 0.000 1.027 258 V CA -0.740 61.602 62.300 0.071 0.000 0.855 258 V CB 1.773 33.520 31.823 -0.126 0.000 0.995 258 V HN 0.836 nan 8.190 nan 0.000 0.424 259 D N 2.076 122.608 120.400 0.219 0.000 2.340 259 D HA 0.731 5.371 4.640 -0.000 0.000 0.240 259 D C -0.826 175.446 176.300 -0.048 0.000 1.001 259 D CA -0.212 53.882 54.000 0.157 0.000 0.888 259 D CB 1.778 42.689 40.800 0.184 0.000 1.310 259 D HN 0.676 nan 8.370 nan 0.000 0.474 260 H N -1.374 117.801 119.070 0.175 0.000 3.016 260 H HA 0.703 5.259 4.556 -0.000 0.000 0.362 260 H C -0.660 174.489 175.328 -0.299 0.000 1.233 260 H CA -0.680 55.397 56.048 0.048 0.000 1.124 260 H CB 2.160 32.069 29.762 0.245 0.000 1.850 260 H HN 0.336 nan 8.280 nan 0.000 0.549 261 T N -1.063 113.326 114.554 -0.275 0.000 2.802 261 T HA 0.659 5.009 4.350 -0.000 0.000 0.311 261 T C -1.158 173.314 174.700 -0.379 0.000 1.405 261 T CA -0.700 61.142 62.100 -0.429 0.000 1.016 261 T CB 0.908 69.715 68.868 -0.101 0.000 1.352 261 T HN 0.734 nan 8.240 nan 0.000 0.498 262 V N -2.225 117.508 119.914 -0.302 0.000 3.147 262 V HA 1.020 5.140 4.120 -0.000 0.000 0.306 262 V C 0.534 176.596 176.094 -0.054 0.000 1.209 262 V CA 0.118 62.298 62.300 -0.199 0.000 1.023 262 V CB 0.862 32.591 31.823 -0.157 0.000 1.059 262 V HN 2.393 nan 8.190 nan 0.000 0.435 263 G N 0.536 109.320 108.800 -0.026 0.000 2.418 263 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.206 263 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.206 263 G C -0.638 174.409 174.900 0.245 0.000 1.202 263 G CA -0.027 45.170 45.100 0.161 0.000 1.061 263 G HN 2.140 nan 8.290 nan 0.000 0.563 264 W N 3.711 125.121 121.300 0.184 0.000 2.579 264 W HA 0.328 4.988 4.660 -0.000 0.000 0.335 264 W C -0.566 176.125 176.519 0.286 0.000 1.143 264 W CA 0.615 58.090 57.345 0.217 0.000 1.323 264 W CB 0.597 30.192 29.460 0.226 0.000 1.161 264 W HN 0.439 nan 8.180 nan 0.000 0.567 265 P HA 0.014 nan 4.420 nan 0.000 0.257 265 P C -0.167 176.893 177.300 -0.401 0.000 1.281 265 P CA 0.262 62.598 63.100 -1.274 0.000 0.826 265 P CB 0.258 31.075 31.700 -1.472 0.000 1.237 266 L N 1.925 123.101 121.223 -0.077 0.000 2.439 266 L HA 0.251 4.591 4.340 -0.000 0.000 0.261 266 L C 0.962 177.876 176.870 0.073 0.000 1.153 266 L CA -0.056 54.797 54.840 0.022 0.000 0.808 266 L CB 0.098 42.185 42.059 0.046 0.000 1.126 266 L HN 0.032 nan 8.230 nan 0.000 0.460 267 D N 0.763 121.223 120.400 0.100 0.000 2.229 267 D HA 0.136 4.776 4.640 -0.000 0.000 0.249 267 D C 0.936 177.324 176.300 0.147 0.000 1.027 267 D CA -0.637 53.449 54.000 0.144 0.000 0.923 267 D CB 0.842 41.733 40.800 0.150 0.000 1.174 267 D HN 0.565 nan 8.370 nan 0.000 0.443 268 R N 0.899 121.498 120.500 0.165 0.000 2.174 268 R HA -0.236 4.103 4.340 -0.000 0.000 0.253 268 R C 0.860 177.122 176.300 -0.064 0.000 1.165 268 R CA 1.440 57.603 56.100 0.106 0.000 0.984 268 R CB -0.630 29.736 30.300 0.109 0.000 0.873 268 R HN 0.497 nan 8.270 nan 0.000 0.456 269 H N -0.091 119.083 119.070 0.174 0.000 2.533 269 H HA 0.174 4.730 4.556 -0.000 0.000 0.271 269 H C -0.180 175.250 175.328 0.171 0.000 1.000 269 H CA 0.511 56.658 56.048 0.165 0.000 1.149 269 H CB 0.551 30.403 29.762 0.150 0.000 1.375 269 H HN 0.155 nan 8.280 nan 0.000 0.582 270 T N 1.537 116.226 114.554 0.225 0.000 2.809 270 T HA 0.064 4.414 4.350 -0.000 0.000 0.296 270 T C -0.585 174.207 174.700 0.154 0.000 1.015 270 T CA -0.541 61.685 62.100 0.210 0.000 0.954 270 T CB 0.805 69.774 68.868 0.168 0.000 0.950 270 T HN 0.126 nan 8.240 nan 0.000 0.450 271 Y N 3.135 123.478 120.300 0.071 0.000 2.544 271 Y HA 0.486 5.036 4.550 -0.000 0.000 0.330 271 Y C 0.647 176.513 175.900 -0.058 0.000 1.136 271 Y CA 0.754 58.854 58.100 -0.000 0.000 1.417 271 Y CB -0.027 38.444 38.460 0.019 0.000 1.229 271 Y HN 0.900 nan 8.280 nan 0.000 0.532 272 G N 1.968 110.249 108.800 -0.866 0.000 2.313 272 G HA2 0.534 4.494 3.960 -0.000 0.000 0.296 272 G HA3 0.534 4.494 3.960 -0.000 0.000 0.296 272 G C -0.986 173.426 174.900 -0.813 0.000 1.356 272 G CA -0.163 44.433 45.100 -0.840 0.000 0.833 272 G HN 1.316 nan 8.290 nan 0.000 0.552 273 G N -1.386 106.804 108.800 -1.017 0.000 2.322 273 G HA2 0.778 4.738 3.960 -0.000 0.000 0.295 273 G HA3 0.778 4.738 3.960 -0.000 0.000 0.295 273 G C -0.346 173.916 174.900 -1.063 0.000 1.369 273 G CA 0.980 45.546 45.100 -0.889 0.000 0.821 273 G HN 2.091 nan 8.290 nan 0.000 0.536 274 S N -1.306 113.943 115.700 -0.753 0.000 2.739 274 S HA 0.941 5.411 4.470 -0.000 0.000 0.306 274 S C -0.728 173.688 174.600 -0.306 0.000 1.115 274 S CA -0.440 57.305 58.200 -0.758 0.000 0.985 274 S CB 1.806 64.185 63.200 -1.369 0.000 1.133 274 S HN 2.005 nan 8.310 nan 0.000 0.541 275 F N -1.014 118.684 119.950 -0.421 0.000 2.628 275 F HA 0.786 5.313 4.527 -0.000 0.000 0.309 275 F C -1.753 173.809 175.800 -0.396 0.000 1.108 275 F CA -1.263 56.462 58.000 -0.458 0.000 0.971 275 F CB 1.194 39.873 39.000 -0.535 0.000 1.279 275 F HN 0.713 nan 8.300 nan 0.000 0.441 276 L N 5.104 126.256 121.223 -0.118 0.000 2.491 276 L HA 0.541 4.881 4.340 -0.000 0.000 0.267 276 L C -2.017 175.100 176.870 0.412 0.000 0.971 276 L CA -0.323 54.543 54.840 0.043 0.000 0.857 276 L CB 1.516 43.676 42.059 0.167 0.000 1.226 276 L HN 0.863 nan 8.230 nan 0.000 0.408 277 Y N 3.211 123.654 120.300 0.238 0.000 2.341 277 Y HA 0.391 4.941 4.550 -0.000 0.000 0.338 277 Y C -0.042 176.015 175.900 0.261 0.000 0.965 277 Y CA -1.228 57.024 58.100 0.253 0.000 1.108 277 Y CB 1.695 40.288 38.460 0.220 0.000 1.180 277 Y HN 0.436 nan 8.280 nan 0.000 0.458 278 H N 4.757 124.017 119.070 0.317 0.000 2.820 278 H HA 0.114 4.670 4.556 -0.000 0.000 0.278 278 H C -0.237 175.287 175.328 0.327 0.000 1.142 278 H CA -0.731 55.513 56.048 0.326 0.000 1.346 278 H CB 0.903 30.802 29.762 0.229 0.000 1.438 278 H HN 0.331 nan 8.280 nan 0.000 0.473 279 L N 2.689 124.189 121.223 0.462 0.000 2.473 279 L HA -0.067 4.273 4.340 -0.000 0.000 0.268 279 L C 1.117 178.302 176.870 0.524 0.000 1.215 279 L CA 0.591 55.664 54.840 0.389 0.000 0.823 279 L CB 0.230 42.468 42.059 0.299 0.000 1.099 279 L HN 0.684 nan 8.230 nan 0.000 0.483 280 N N -0.063 118.863 118.700 0.377 0.000 2.610 280 N HA 0.130 4.870 4.740 -0.000 0.000 0.307 280 N C 0.000 175.700 175.510 0.316 0.000 1.813 280 N CA 0.004 53.295 53.050 0.403 0.000 0.901 280 N CB 0.393 38.984 38.487 0.173 0.000 1.354 280 N HN 0.565 nan 8.380 nan 0.000 0.491 281 E N -0.738 119.639 120.200 0.296 0.000 2.451 281 E HA 0.295 4.645 4.350 -0.000 0.000 0.194 281 E C 0.812 177.511 176.600 0.166 0.000 1.027 281 E CA 0.142 56.658 56.400 0.194 0.000 0.914 281 E CB 0.633 30.427 29.700 0.157 0.000 1.054 281 E HN 0.564 nan 8.360 nan 0.000 0.461 282 G N 1.421 110.351 108.800 0.216 0.000 3.151 282 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.197 282 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.197 282 G C 0.026 174.916 174.900 -0.016 0.000 1.682 282 G CA -0.624 44.552 45.100 0.127 0.000 1.205 282 G HN 0.249 nan 8.290 nan 0.000 0.510 283 E N 2.742 122.876 120.200 -0.110 0.000 2.314 283 E HA 0.448 4.798 4.350 -0.000 0.000 0.262 283 E C -2.367 173.797 176.600 -0.727 0.000 1.093 283 E CA -1.556 54.668 56.400 -0.294 0.000 0.908 283 E CB 1.472 31.073 29.700 -0.165 0.000 1.091 283 E HN 0.232 nan 8.360 nan 0.000 0.425 284 P HA 0.137 nan 4.420 nan 0.000 0.225 284 P C -1.055 175.817 177.300 -0.713 0.000 1.830 284 P CA -0.148 61.973 63.100 -1.630 0.000 1.051 284 P CB -0.107 31.033 31.700 -0.932 0.000 1.929 285 L N 3.260 124.233 121.223 -0.417 0.000 2.307 285 L HA 0.451 4.790 4.340 -0.000 0.000 0.282 285 L C -0.613 176.306 176.870 0.081 0.000 1.051 285 L CA -0.707 54.092 54.840 -0.068 0.000 0.804 285 L CB 1.094 43.158 42.059 0.008 0.000 1.197 285 L HN 0.052 nan 8.230 nan 0.000 0.431 286 L N 4.298 125.578 121.223 0.097 0.000 2.346 286 L HA 0.809 5.149 4.340 -0.000 0.000 0.274 286 L C -0.520 176.450 176.870 0.167 0.000 1.007 286 L CA -0.198 54.696 54.840 0.090 0.000 0.818 286 L CB 1.871 43.923 42.059 -0.013 0.000 1.284 286 L HN 0.731 nan 8.230 nan 0.000 0.424 287 A N 4.756 127.682 122.820 0.176 0.000 2.285 287 A HA 0.778 5.098 4.320 -0.000 0.000 0.310 287 A C -1.247 176.398 177.584 0.102 0.000 1.266 287 A CA -0.387 51.767 52.037 0.195 0.000 0.832 287 A CB 0.344 19.494 19.000 0.250 0.000 1.163 287 A HN 0.574 nan 8.150 nan 0.000 0.499 288 L N 0.404 121.622 121.223 -0.008 0.000 2.376 288 L HA 1.106 5.446 4.340 -0.000 0.000 0.258 288 L C 0.059 176.483 176.870 -0.743 0.000 1.013 288 L CA -0.320 54.290 54.840 -0.383 0.000 0.822 288 L CB 1.491 43.505 42.059 -0.075 0.000 1.388 288 L HN 0.953 nan 8.230 nan 0.000 0.413 289 G N -0.533 107.339 108.800 -1.546 0.000 2.554 289 G HA2 0.666 4.626 3.960 -0.000 0.000 0.306 289 G HA3 0.666 4.626 3.960 -0.000 0.000 0.306 289 G C -2.380 171.875 174.900 -1.076 0.000 1.320 289 G CA -0.489 43.801 45.100 -1.351 0.000 0.800 289 G HN 0.681 nan 8.290 nan 0.000 0.481 290 F N -0.576 118.748 119.950 -1.044 0.000 2.619 290 F HA 0.722 5.249 4.527 -0.000 0.000 0.308 290 F C -0.822 174.741 175.800 -0.394 0.000 1.097 290 F CA -0.672 56.893 58.000 -0.725 0.000 0.953 290 F CB 2.488 41.080 39.000 -0.681 0.000 1.287 290 F HN 0.418 nan 8.300 nan 0.000 0.446 291 V N 4.470 124.007 119.914 -0.628 0.000 2.735 291 V HA 0.734 4.853 4.120 -0.000 0.000 0.310 291 V C -1.203 174.638 176.094 -0.423 0.000 1.061 291 V CA -0.874 61.214 62.300 -0.354 0.000 0.913 291 V CB 1.943 33.614 31.823 -0.253 0.000 1.005 291 V HN 0.575 nan 8.190 nan 0.000 0.428 292 V N 2.153 121.990 119.914 -0.129 0.000 2.638 292 V HA 0.658 4.778 4.120 -0.000 0.000 0.306 292 V C 0.560 176.718 176.094 0.106 0.000 1.052 292 V CA -0.537 61.747 62.300 -0.027 0.000 0.885 292 V CB 2.097 33.973 31.823 0.088 0.000 0.999 292 V HN 1.007 nan 8.190 nan 0.000 0.424 293 G N 3.475 112.386 108.800 0.185 0.000 2.358 293 G HA2 0.388 4.348 3.960 -0.000 0.000 0.273 293 G HA3 0.388 4.348 3.960 -0.000 0.000 0.273 293 G C 0.538 175.601 174.900 0.271 0.000 1.215 293 G CA -0.417 44.850 45.100 0.278 0.000 0.910 293 G HN 0.794 nan 8.290 nan 0.000 0.467 294 L N 2.277 123.606 121.223 0.176 0.000 2.786 294 L HA 0.014 4.354 4.340 -0.000 0.000 0.250 294 L C 1.349 178.148 176.870 -0.119 0.000 1.151 294 L CA 0.345 55.219 54.840 0.057 0.000 0.910 294 L CB -0.084 41.955 42.059 -0.033 0.000 1.082 294 L HN 0.689 nan 8.230 nan 0.000 0.433 295 D N -1.514 118.882 120.400 -0.007 0.000 2.388 295 D HA -0.071 4.569 4.640 -0.000 0.000 0.221 295 D C 0.548 176.831 176.300 -0.027 0.000 1.133 295 D CA -0.488 53.473 54.000 -0.066 0.000 0.831 295 D CB -0.227 40.566 40.800 -0.012 0.000 0.962 295 D HN 0.311 nan 8.370 nan 0.000 0.502 296 Y N 0.176 120.512 120.300 0.060 0.000 2.457 296 Y HA 0.219 4.769 4.550 -0.000 0.000 0.341 296 Y C 1.394 177.331 175.900 0.061 0.000 1.240 296 Y CA -0.465 57.685 58.100 0.083 0.000 1.437 296 Y CB 0.588 39.111 38.460 0.106 0.000 1.328 296 Y HN -0.238 nan 8.280 nan 0.000 0.588 297 Q N 0.564 120.519 119.800 0.258 0.000 2.259 297 Q HA -0.005 4.335 4.340 -0.000 0.000 0.201 297 Q C 0.074 176.206 176.000 0.219 0.000 0.938 297 Q CA 0.167 56.063 55.803 0.155 0.000 0.872 297 Q CB 0.099 28.905 28.738 0.113 0.000 0.971 297 Q HN 0.688 nan 8.270 nan 0.000 0.494 298 N N 2.091 120.981 118.700 0.318 0.000 2.442 298 N HA 0.029 4.769 4.740 -0.000 0.000 0.265 298 N C -2.080 173.602 175.510 0.287 0.000 1.138 298 N CA -1.508 51.695 53.050 0.255 0.000 0.956 298 N CB 1.376 40.001 38.487 0.230 0.000 1.067 298 N HN -0.122 nan 8.380 nan 0.000 0.474 299 P HA -0.007 nan 4.420 nan 0.000 0.225 299 P C 0.282 177.560 177.300 -0.037 0.000 1.156 299 P CA 0.986 64.104 63.100 0.031 0.000 0.787 299 P CB 0.055 31.671 31.700 -0.140 0.000 0.802 300 Y N -1.022 119.395 120.300 0.195 0.000 2.529 300 Y HA 0.165 4.715 4.550 -0.000 0.000 0.290 300 Y C 1.257 177.273 175.900 0.193 0.000 1.177 300 Y CA -0.572 57.626 58.100 0.162 0.000 1.305 300 Y CB -0.855 37.667 38.460 0.103 0.000 1.047 300 Y HN -0.046 nan 8.280 nan 0.000 0.522 301 L N 0.125 121.501 121.223 0.256 0.000 2.380 301 L HA 0.313 4.653 4.340 -0.000 0.000 0.273 301 L C 0.279 177.209 176.870 0.099 0.000 1.138 301 L CA -0.023 54.916 54.840 0.164 0.000 0.832 301 L CB 0.803 42.797 42.059 -0.109 0.000 1.124 301 L HN -0.097 nan 8.230 nan 0.000 0.454 302 S N 5.258 121.046 115.700 0.147 0.000 2.640 302 S HA 0.490 4.960 4.470 -0.000 0.000 0.320 302 S C -1.924 172.659 174.600 -0.028 0.000 1.097 302 S CA -1.509 56.702 58.200 0.018 0.000 1.092 302 S CB 1.548 64.692 63.200 -0.094 0.000 0.988 302 S HN 0.519 nan 8.310 nan 0.000 0.470 303 P HA -0.107 nan 4.420 nan 0.000 0.214 303 P C 1.182 178.577 177.300 0.159 0.000 1.163 303 P CA 0.884 64.058 63.100 0.123 0.000 0.889 303 P CB -0.021 31.793 31.700 0.189 0.000 0.790 304 F N 0.748 120.752 119.950 0.091 0.000 2.069 304 F HA -0.225 4.302 4.527 0.000 0.000 0.298 304 F C 2.105 177.896 175.800 -0.016 0.000 1.113 304 F CA 1.648 59.736 58.000 0.147 0.000 1.214 304 F CB -0.384 38.702 39.000 0.144 0.000 0.978 304 F HN -0.286 nan 8.300 nan 0.000 0.474 305 R N 0.729 121.048 120.500 -0.302 0.000 2.152 305 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 305 R C 2.059 178.002 176.300 -0.594 0.000 1.117 305 R CA 1.128 56.834 56.100 -0.655 0.000 0.981 305 R CB -0.984 28.597 30.300 -1.198 0.000 0.870 305 R HN 0.429 nan 8.270 nan 0.000 0.451 306 E N 0.097 120.043 120.200 -0.423 0.000 2.047 306 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 306 E C 1.746 178.053 176.600 -0.487 0.000 0.987 306 E CA 0.645 56.874 56.400 -0.285 0.000 0.799 306 E CB -0.441 29.186 29.700 -0.123 0.000 0.752 306 E HN 0.156 nan 8.360 nan 0.000 0.449 307 F N 2.861 122.405 119.950 -0.676 0.000 2.046 307 F HA -0.228 4.298 4.527 -0.000 0.000 0.297 307 F C 2.167 177.767 175.800 -0.332 0.000 1.123 307 F CA 1.591 59.204 58.000 -0.645 0.000 1.199 307 F CB -0.645 38.190 39.000 -0.276 0.000 0.972 307 F HN -0.065 nan 8.300 nan 0.000 0.474 308 Q N 0.471 119.896 119.800 -0.625 0.000 2.152 308 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 308 Q C 2.469 178.317 176.000 -0.254 0.000 0.985 308 Q CA 1.828 57.270 55.803 -0.600 0.000 0.863 308 Q CB -0.764 27.573 28.738 -0.668 0.000 0.904 308 Q HN 0.537 nan 8.270 nan 0.000 0.422 309 R N -0.615 119.766 120.500 -0.198 0.000 2.115 309 R HA -0.147 4.193 4.340 -0.000 0.000 0.226 309 R C 2.006 178.364 176.300 0.097 0.000 1.100 309 R CA 1.049 57.131 56.100 -0.029 0.000 0.980 309 R CB -0.313 29.950 30.300 -0.062 0.000 0.875 309 R HN 0.318 nan 8.270 nan 0.000 0.445 310 W N 2.074 123.256 121.300 -0.197 0.000 2.358 310 W HA -0.145 4.515 4.660 -0.000 0.000 0.303 310 W C 1.279 177.880 176.519 0.137 0.000 1.208 310 W CA 1.491 58.820 57.345 -0.027 0.000 1.274 310 W CB -0.081 29.203 29.460 -0.293 0.000 1.138 310 W HN -0.083 nan 8.180 nan 0.000 0.515 311 K N -0.709 119.413 120.400 -0.463 0.000 2.442 311 K HA -0.206 4.114 4.320 -0.000 0.000 0.199 311 K C 1.518 177.772 176.600 -0.576 0.000 1.044 311 K CA 1.084 56.901 56.287 -0.783 0.000 0.941 311 K CB -0.480 31.671 32.500 -0.581 0.000 0.759 311 K HN 0.360 nan 8.250 nan 0.000 0.472 312 H N -0.674 118.238 119.070 -0.264 0.000 2.539 312 H HA -0.009 4.547 4.556 -0.000 0.000 0.267 312 H C 0.374 175.595 175.328 -0.178 0.000 0.982 312 H CA 0.153 56.095 56.048 -0.176 0.000 1.146 312 H CB 0.073 29.789 29.762 -0.076 0.000 1.382 312 H HN 0.213 nan 8.280 nan 0.000 0.577 313 H N 3.107 122.057 119.070 -0.199 0.000 2.928 313 H HA -0.018 4.538 4.556 -0.000 0.000 0.338 313 H C -1.465 173.699 175.328 -0.274 0.000 1.047 313 H CA -1.294 54.583 56.048 -0.284 0.000 1.435 313 H CB 1.557 31.191 29.762 -0.213 0.000 1.428 313 H HN 0.111 nan 8.280 nan 0.000 0.590 314 P HA -0.152 nan 4.420 nan 0.000 0.226 314 P C 1.123 178.324 177.300 -0.164 0.000 1.146 314 P CA 1.262 64.136 63.100 -0.377 0.000 0.773 314 P CB 0.191 31.608 31.700 -0.470 0.000 0.772 315 S N -1.924 113.827 115.700 0.085 0.000 2.503 315 S HA 0.120 4.590 4.470 -0.000 0.000 0.215 315 S C 1.641 176.257 174.600 0.027 0.000 1.003 315 S CA -0.062 58.220 58.200 0.135 0.000 0.910 315 S CB -0.702 62.661 63.200 0.273 0.000 0.790 315 S HN 0.039 nan 8.310 nan 0.000 0.514 316 I N 0.602 121.131 120.570 -0.067 0.000 3.883 316 I HA 0.299 4.469 4.170 -0.000 0.000 0.305 316 I C 2.271 178.205 176.117 -0.306 0.000 1.247 316 I CA 0.090 61.246 61.300 -0.241 0.000 1.350 316 I CB 0.026 37.693 38.000 -0.555 0.000 1.194 316 I HN 0.137 nan 8.210 nan 0.000 0.441 317 K N 1.831 122.053 120.400 -0.297 0.000 2.032 317 K HA -0.153 4.166 4.320 -0.000 0.000 0.209 317 K C -0.718 175.746 176.600 -0.228 0.000 1.048 317 K CA 1.791 57.888 56.287 -0.317 0.000 0.927 317 K CB -0.832 31.499 32.500 -0.283 0.000 0.712 317 K HN 0.131 nan 8.250 nan 0.000 0.441 318 P HA -0.111 nan 4.420 nan 0.000 0.217 318 P C 0.791 178.042 177.300 -0.082 0.000 1.148 318 P CA 1.442 64.482 63.100 -0.099 0.000 0.828 318 P CB -0.007 31.653 31.700 -0.068 0.000 0.783 319 T N -0.649 113.846 114.554 -0.099 0.000 2.867 319 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 319 T C 1.373 176.005 174.700 -0.113 0.000 1.057 319 T CA 1.092 63.152 62.100 -0.066 0.000 1.136 319 T CB -0.597 68.241 68.868 -0.050 0.000 0.874 319 T HN 0.109 nan 8.240 nan 0.000 0.466 320 L N 0.338 121.422 121.223 -0.232 0.000 2.607 320 L HA 0.333 4.673 4.340 -0.000 0.000 0.228 320 L C 0.807 177.617 176.870 -0.100 0.000 1.123 320 L CA -0.129 54.540 54.840 -0.286 0.000 0.890 320 L CB -0.267 41.339 42.059 -0.754 0.000 1.103 320 L HN 0.069 nan 8.230 nan 0.000 0.468 321 E N 1.581 121.725 120.200 -0.093 0.000 2.498 321 E HA 0.212 4.562 4.350 -0.000 0.000 0.252 321 E C 1.222 177.836 176.600 0.024 0.000 1.025 321 E CA 0.963 57.339 56.400 -0.041 0.000 0.938 321 E CB 0.036 29.703 29.700 -0.055 0.000 0.947 321 E HN 0.326 nan 8.360 nan 0.000 0.478 322 G N 2.930 111.767 108.800 0.062 0.000 2.136 322 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 322 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 322 G C 0.420 175.388 174.900 0.114 0.000 0.989 322 G CA -0.092 45.052 45.100 0.074 0.000 0.682 322 G HN 0.854 nan 8.290 nan 0.000 0.522 323 G N -0.838 108.083 108.800 0.203 0.000 2.568 323 G HA2 0.699 4.659 3.960 -0.000 0.000 0.293 323 G HA3 0.699 4.659 3.960 -0.000 0.000 0.293 323 G C -0.301 174.756 174.900 0.262 0.000 1.347 323 G CA -0.058 45.206 45.100 0.274 0.000 1.039 323 G HN 0.728 nan 8.290 nan 0.000 0.523 324 K N -0.229 120.265 120.400 0.157 0.000 2.507 324 K HA 0.376 4.696 4.320 -0.000 0.000 0.251 324 K C -0.650 175.642 176.600 -0.514 0.000 0.943 324 K CA -0.810 55.397 56.287 -0.134 0.000 0.794 324 K CB 1.886 34.333 32.500 -0.089 0.000 1.188 324 K HN 0.503 nan 8.250 nan 0.000 0.428 325 R N 6.359 126.211 120.500 -1.080 0.000 2.254 325 R HA 0.227 4.567 4.340 -0.000 0.000 0.318 325 R C 0.534 176.395 176.300 -0.732 0.000 1.031 325 R CA -0.210 54.970 56.100 -1.533 0.000 0.905 325 R CB 0.454 29.565 30.300 -1.981 0.000 1.050 325 R HN 0.916 nan 8.270 nan 0.000 0.456 326 I N 0.227 120.513 120.570 -0.475 0.000 4.139 326 I HA 0.448 4.618 4.170 -0.000 0.000 0.335 326 I C -0.058 175.977 176.117 -0.136 0.000 1.327 326 I CA -0.333 60.820 61.300 -0.246 0.000 1.112 326 I CB 0.757 38.673 38.000 -0.140 0.000 1.058 326 I HN 0.462 nan 8.210 nan 0.000 0.396 327 A N 0.472 123.228 122.820 -0.107 0.000 2.610 327 A HA 0.763 5.083 4.320 -0.000 0.000 0.291 327 A C -2.111 175.567 177.584 0.157 0.000 1.086 327 A CA -0.446 51.615 52.037 0.041 0.000 0.677 327 A CB 1.553 20.598 19.000 0.075 0.000 1.278 327 A HN 0.318 nan 8.150 nan 0.000 0.414 328 Y N -0.479 119.887 120.300 0.110 0.000 2.552 328 Y HA 0.635 5.185 4.550 -0.000 0.000 0.337 328 Y C -0.148 175.927 175.900 0.291 0.000 1.094 328 Y CA 0.324 58.538 58.100 0.189 0.000 1.028 328 Y CB 1.852 40.408 38.460 0.161 0.000 1.321 328 Y HN 1.725 nan 8.280 nan 0.000 0.456 329 G N 1.599 110.022 108.800 -0.629 0.000 2.466 329 G HA2 0.753 4.713 3.960 -0.000 0.000 0.291 329 G HA3 0.753 4.713 3.960 -0.000 0.000 0.291 329 G C -2.319 172.330 174.900 -0.419 0.000 1.460 329 G CA -0.282 44.679 45.100 -0.233 0.000 0.791 329 G HN 1.289 nan 8.290 nan 0.000 0.505 330 A N 0.139 122.895 122.820 -0.107 0.000 2.574 330 A HA 0.968 5.288 4.320 -0.000 0.000 0.297 330 A C -0.984 176.597 177.584 -0.005 0.000 1.062 330 A CA -0.659 51.334 52.037 -0.074 0.000 0.686 330 A CB 2.401 21.408 19.000 0.012 0.000 1.285 330 A HN 0.783 nan 8.150 nan 0.000 0.403 331 R N 0.013 120.499 120.500 -0.025 0.000 2.643 331 R HA 0.736 5.076 4.340 -0.000 0.000 0.269 331 R C -0.781 175.512 176.300 -0.012 0.000 1.037 331 R CA -0.055 56.036 56.100 -0.016 0.000 0.894 331 R CB 2.034 32.315 30.300 -0.030 0.000 1.238 331 R HN 1.316 nan 8.270 nan 0.000 0.459 332 A N 2.917 125.726 122.820 -0.020 0.000 2.304 332 A HA 0.666 4.986 4.320 -0.000 0.000 0.301 332 A C -0.588 177.034 177.584 0.063 0.000 1.132 332 A CA -0.413 51.623 52.037 -0.001 0.000 0.819 332 A CB 0.408 19.352 19.000 -0.093 0.000 1.094 332 A HN 0.424 nan 8.150 nan 0.000 0.492 333 L N -0.429 120.860 121.223 0.111 0.000 2.327 333 L HA 0.665 5.005 4.340 -0.000 0.000 0.258 333 L C -0.558 176.399 176.870 0.144 0.000 1.024 333 L CA -1.128 53.778 54.840 0.109 0.000 0.825 333 L CB 0.933 43.021 42.059 0.049 0.000 1.386 333 L HN 0.599 nan 8.230 nan 0.000 0.417 334 N N -0.146 118.583 118.700 0.048 0.000 2.513 334 N HA 0.450 5.190 4.740 -0.000 0.000 0.274 334 N C -0.093 175.359 175.510 -0.097 0.000 1.189 334 N CA -0.412 52.576 53.050 -0.103 0.000 0.975 334 N CB 1.052 39.452 38.487 -0.146 0.000 1.157 334 N HN 0.782 nan 8.380 nan 0.000 0.465 335 E N -0.201 119.887 120.200 -0.187 0.000 2.665 335 E HA 0.068 4.418 4.350 -0.000 0.000 0.225 335 E C 1.449 177.922 176.600 -0.212 0.000 0.922 335 E CA -0.118 56.192 56.400 -0.151 0.000 1.242 335 E CB 0.589 30.211 29.700 -0.130 0.000 1.197 335 E HN 0.713 nan 8.360 nan 0.000 0.581 336 G N 1.925 110.546 108.800 -0.299 0.000 2.450 336 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.220 336 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.220 336 G C 1.041 175.954 174.900 0.022 0.000 1.130 336 G CA 0.809 45.748 45.100 -0.268 0.000 0.760 336 G HN 0.434 nan 8.290 nan 0.000 0.557 337 G N -0.377 108.394 108.800 -0.050 0.000 2.575 337 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.267 337 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.267 337 G C 0.740 175.636 174.900 -0.006 0.000 1.264 337 G CA 0.413 45.516 45.100 0.004 0.000 0.935 337 G HN 0.715 nan 8.290 nan 0.000 0.568 338 F N 1.260 121.140 119.950 -0.116 0.000 2.087 338 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 338 F C 2.990 178.703 175.800 -0.146 0.000 1.100 338 F CA 3.103 60.989 58.000 -0.189 0.000 1.226 338 F CB -0.396 38.467 39.000 -0.228 0.000 0.983 338 F HN 0.483 nan 8.300 nan 0.000 0.479 339 Q N -0.512 119.262 119.800 -0.043 0.000 2.439 339 Q HA -0.101 4.239 4.340 -0.000 0.000 0.211 339 Q C 1.707 177.638 176.000 -0.115 0.000 0.978 339 Q CA 1.506 57.255 55.803 -0.090 0.000 0.897 339 Q CB -0.259 28.399 28.738 -0.134 0.000 0.956 339 Q HN 0.265 nan 8.270 nan 0.000 0.483 340 S N -0.581 115.046 115.700 -0.120 0.000 2.578 340 S HA 0.275 4.745 4.470 -0.000 0.000 0.231 340 S C 0.235 174.713 174.600 -0.203 0.000 0.994 340 S CA -0.386 57.731 58.200 -0.139 0.000 0.956 340 S CB 0.498 63.619 63.200 -0.132 0.000 0.870 340 S HN 0.233 nan 8.310 nan 0.000 0.494 341 I N 4.982 125.406 120.570 -0.244 0.000 2.505 341 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 341 I C -1.787 174.270 176.117 -0.101 0.000 1.104 341 I CA -1.419 59.774 61.300 -0.179 0.000 1.387 341 I CB 0.410 38.320 38.000 -0.149 0.000 1.404 341 I HN 0.069 nan 8.210 nan 0.000 0.528 342 P HA 0.144 nan 4.420 nan 0.000 0.293 342 P C -0.871 176.465 177.300 0.060 0.000 1.304 342 P CA -0.881 62.188 63.100 -0.051 0.000 0.767 342 P CB 0.785 32.400 31.700 -0.141 0.000 1.247 343 K N 0.544 120.992 120.400 0.080 0.000 2.412 343 K HA 0.122 4.442 4.320 -0.000 0.000 0.284 343 K C 0.981 177.688 176.600 0.179 0.000 1.046 343 K CA -0.055 56.302 56.287 0.117 0.000 0.999 343 K CB -0.457 32.119 32.500 0.127 0.000 0.941 343 K HN 0.302 nan 8.250 nan 0.000 0.474 344 L N 2.952 124.268 121.223 0.155 0.000 2.554 344 L HA 0.048 4.388 4.340 -0.000 0.000 0.226 344 L C 1.030 178.027 176.870 0.213 0.000 1.137 344 L CA 0.012 54.980 54.840 0.213 0.000 0.863 344 L CB -0.535 41.618 42.059 0.157 0.000 0.985 344 L HN 0.700 nan 8.230 nan 0.000 0.451 345 T N -1.360 113.292 114.554 0.163 0.000 2.916 345 T HA 0.682 5.032 4.350 -0.000 0.000 0.292 345 T C -0.697 174.008 174.700 0.009 0.000 1.055 345 T CA -0.634 61.481 62.100 0.026 0.000 1.009 345 T CB 2.602 71.561 68.868 0.152 0.000 1.118 345 T HN 0.085 nan 8.240 nan 0.000 0.497 346 F N -1.878 117.883 119.950 -0.314 0.000 2.719 346 F HA 0.713 5.240 4.527 -0.000 0.000 0.309 346 F C -3.344 171.940 175.800 -0.859 0.000 1.138 346 F CA -2.883 54.640 58.000 -0.794 0.000 0.943 346 F CB 0.050 38.430 39.000 -1.034 0.000 1.304 346 F HN 0.363 nan 8.300 nan 0.000 0.445 347 P HA 0.214 nan 4.420 nan 0.000 0.250 347 P C 0.742 177.992 177.300 -0.083 0.000 1.161 347 P CA 2.172 65.103 63.100 -0.283 0.000 0.863 347 P CB -0.008 31.679 31.700 -0.021 0.000 0.827 348 G N 2.150 110.873 108.800 -0.128 0.000 2.176 348 G HA2 0.001 3.961 3.960 -0.000 0.000 0.232 348 G HA3 0.001 3.961 3.960 -0.000 0.000 0.232 348 G C 0.274 175.110 174.900 -0.106 0.000 0.986 348 G CA -0.440 44.638 45.100 -0.036 0.000 0.643 348 G HN 0.907 nan 8.290 nan 0.000 0.522 349 G N -1.074 107.429 108.800 -0.495 0.000 2.623 349 G HA2 0.751 4.711 3.960 -0.000 0.000 0.290 349 G HA3 0.751 4.711 3.960 -0.000 0.000 0.290 349 G C -1.164 173.227 174.900 -0.849 0.000 1.437 349 G CA -0.618 44.195 45.100 -0.478 0.000 0.798 349 G HN 0.822 nan 8.290 nan 0.000 0.488 350 L N -0.658 120.420 121.223 -0.242 0.000 2.359 350 L HA 0.687 5.027 4.340 -0.000 0.000 0.256 350 L C -0.759 176.238 176.870 0.211 0.000 1.026 350 L CA -0.994 53.798 54.840 -0.079 0.000 0.828 350 L CB 2.473 44.482 42.059 -0.084 0.000 1.406 350 L HN 0.290 nan 8.230 nan 0.000 0.413 351 L N 2.977 124.385 121.223 0.308 0.000 2.362 351 L HA 0.702 5.042 4.340 -0.000 0.000 0.275 351 L C -0.695 176.414 176.870 0.398 0.000 0.998 351 L CA -0.553 54.490 54.840 0.338 0.000 0.820 351 L CB 2.028 44.271 42.059 0.306 0.000 1.270 351 L HN 0.537 nan 8.230 nan 0.000 0.415 352 I N -0.752 120.005 120.570 0.312 0.000 3.095 352 I HA 0.973 5.143 4.170 -0.000 0.000 0.310 352 I C 0.386 176.688 176.117 0.309 0.000 1.196 352 I CA -0.484 61.044 61.300 0.379 0.000 0.985 352 I CB 2.144 40.261 38.000 0.194 0.000 1.250 352 I HN 0.690 nan 8.210 nan 0.000 0.446 353 G N 1.892 110.940 108.800 0.412 0.000 2.553 353 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.242 353 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.242 353 G C 0.276 175.235 174.900 0.098 0.000 1.277 353 G CA -0.001 45.263 45.100 0.273 0.000 0.910 353 G HN 0.968 nan 8.290 nan 0.000 0.576 354 C N 0.681 120.020 119.300 0.065 0.000 2.576 354 C HA 0.421 4.881 4.460 -0.000 0.000 0.267 354 C C 2.978 177.967 174.990 -0.003 0.000 1.364 354 C CA 1.280 60.294 59.018 -0.007 0.000 1.723 354 C CB -1.344 26.420 27.740 0.039 0.000 1.778 354 C HN 0.860 nan 8.230 nan 0.000 0.572 355 S N 2.044 117.762 115.700 0.030 0.000 2.355 355 S HA -0.071 4.399 4.470 -0.000 0.000 0.222 355 S C -0.495 174.127 174.600 0.036 0.000 1.031 355 S CA 1.688 59.919 58.200 0.053 0.000 0.993 355 S CB -0.630 62.615 63.200 0.075 0.000 0.859 355 S HN 0.477 nan 8.310 nan 0.000 0.453 356 P HA 0.282 nan 4.420 nan 0.000 0.215 356 P C 0.356 177.459 177.300 -0.328 0.000 1.157 356 P CA 1.015 64.041 63.100 -0.123 0.000 0.869 356 P CB -0.101 31.470 31.700 -0.216 0.000 0.781 357 G N -0.724 107.724 108.800 -0.588 0.000 2.551 357 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.604 357 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.604 357 G C -0.514 174.032 174.900 -0.591 0.000 1.116 357 G CA -0.796 44.015 45.100 -0.482 0.000 1.285 357 G HN 0.121 nan 8.290 nan 0.000 0.586 358 F N 1.314 121.267 119.950 0.004 0.000 2.963 358 F HA 0.472 4.999 4.527 -0.000 0.000 0.321 358 F C 1.000 176.787 175.800 -0.021 0.000 1.234 358 F CA -0.822 57.170 58.000 -0.013 0.000 1.296 358 F CB 0.858 39.852 39.000 -0.011 0.000 0.981 358 F HN 0.379 nan 8.300 nan 0.000 0.507 359 M N 1.881 121.523 119.600 0.070 0.000 2.162 359 M HA 0.201 4.681 4.480 -0.000 0.000 0.356 359 M C -0.039 176.307 176.300 0.077 0.000 1.303 359 M CA 0.183 55.519 55.300 0.060 0.000 1.116 359 M CB 0.427 33.035 32.600 0.012 0.000 1.632 359 M HN 0.036 nan 8.290 nan 0.000 0.469 360 N N 4.903 123.672 118.700 0.115 0.000 2.602 360 N HA 0.108 4.848 4.740 -0.000 0.000 0.238 360 N C 0.426 175.976 175.510 0.067 0.000 1.084 360 N CA -0.049 53.071 53.050 0.116 0.000 0.952 360 N CB 0.546 39.156 38.487 0.204 0.000 1.244 360 N HN 0.708 nan 8.380 nan 0.000 0.512 361 V N 5.389 125.319 119.914 0.026 0.000 2.255 361 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 361 V C -0.424 175.681 176.094 0.018 0.000 1.051 361 V CA 1.808 64.118 62.300 0.017 0.000 1.018 361 V CB -1.148 30.663 31.823 -0.020 0.000 0.641 361 V HN 0.602 nan 8.190 nan 0.000 0.445 362 P HA -0.191 nan 4.420 nan 0.000 0.216 362 P C 1.404 178.665 177.300 -0.066 0.000 1.150 362 P CA 1.603 64.670 63.100 -0.054 0.000 0.837 362 P CB -0.014 31.602 31.700 -0.139 0.000 0.786 363 K N -0.679 119.695 120.400 -0.044 0.000 2.217 363 K HA 0.083 4.403 4.320 -0.000 0.000 0.202 363 K C 1.065 177.669 176.600 0.007 0.000 1.051 363 K CA 0.455 56.724 56.287 -0.031 0.000 0.952 363 K CB -0.387 32.125 32.500 0.021 0.000 0.736 363 K HN 0.040 nan 8.250 nan 0.000 0.453 364 I N 0.518 121.109 120.570 0.034 0.000 5.880 364 I HA -0.342 3.828 4.170 -0.000 0.000 0.126 364 I C -1.067 175.094 176.117 0.074 0.000 1.818 364 I CA 0.637 61.965 61.300 0.046 0.000 2.039 364 I CB -1.437 36.587 38.000 0.040 0.000 3.404 364 I HN 0.105 nan 8.210 nan 0.000 0.170 365 K N 1.137 121.616 120.400 0.131 0.000 2.358 365 K HA 0.643 4.963 4.320 -0.000 0.000 0.260 365 K C 0.835 177.580 176.600 0.242 0.000 0.956 365 K CA 0.176 56.597 56.287 0.223 0.000 0.834 365 K CB 2.020 34.700 32.500 0.301 0.000 1.102 365 K HN 0.247 nan 8.250 nan 0.000 0.431 366 G N 1.124 110.019 108.800 0.158 0.000 3.581 366 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.248 366 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.248 366 G C 0.754 175.690 174.900 0.060 0.000 1.037 366 G CA -0.085 45.056 45.100 0.069 0.000 0.902 366 G HN 0.513 nan 8.290 nan 0.000 0.512 367 T N 0.903 115.537 114.554 0.135 0.000 2.809 367 T HA -0.047 4.303 4.350 -0.000 0.000 0.260 367 T C 2.286 177.092 174.700 0.176 0.000 1.039 367 T CA 1.409 63.594 62.100 0.142 0.000 1.141 367 T CB -0.343 68.605 68.868 0.132 0.000 0.869 367 T HN 0.557 nan 8.240 nan 0.000 0.437 368 H N 1.844 121.032 119.070 0.196 0.000 2.387 368 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 368 H C 2.227 177.800 175.328 0.408 0.000 1.090 368 H CA 1.943 58.163 56.048 0.288 0.000 1.332 368 H CB -1.290 28.630 29.762 0.263 0.000 1.386 368 H HN 0.498 nan 8.280 nan 0.000 0.516 369 T N -1.027 113.324 114.554 -0.338 0.000 2.812 369 T HA 0.163 4.513 4.350 -0.000 0.000 0.264 369 T C 2.433 177.137 174.700 0.007 0.000 1.042 369 T CA 1.199 63.206 62.100 -0.155 0.000 1.140 369 T CB -0.718 68.032 68.868 -0.196 0.000 0.870 369 T HN 0.470 nan 8.240 nan 0.000 0.445 370 A N 2.170 125.050 122.820 0.099 0.000 1.873 370 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 370 A C 2.545 180.226 177.584 0.161 0.000 1.193 370 A CA 2.165 54.317 52.037 0.191 0.000 0.629 370 A CB -0.979 18.118 19.000 0.162 0.000 0.826 370 A HN 0.557 nan 8.150 nan 0.000 0.447 371 M N -1.444 118.258 119.600 0.170 0.000 2.086 371 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 371 M C 2.279 178.669 176.300 0.150 0.000 1.067 371 M CA 2.075 57.488 55.300 0.188 0.000 1.116 371 M CB -0.264 32.493 32.600 0.261 0.000 1.348 371 M HN 0.349 nan 8.290 nan 0.000 0.407 372 K N 0.891 121.379 120.400 0.146 0.000 2.063 372 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 372 K C 1.949 178.530 176.600 -0.030 0.000 1.048 372 K CA 2.202 58.528 56.287 0.064 0.000 0.928 372 K CB -0.475 31.974 32.500 -0.086 0.000 0.713 372 K HN 0.408 nan 8.250 nan 0.000 0.442 373 S N -1.165 114.502 115.700 -0.055 0.000 2.419 373 S HA -0.058 4.412 4.470 -0.000 0.000 0.233 373 S C 2.176 176.803 174.600 0.044 0.000 1.016 373 S CA 0.957 59.164 58.200 0.011 0.000 0.974 373 S CB -0.834 62.403 63.200 0.063 0.000 0.786 373 S HN 0.418 nan 8.310 nan 0.000 0.492 374 G N 1.324 110.149 108.800 0.043 0.000 2.394 374 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.215 374 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.215 374 G C 1.433 176.316 174.900 -0.028 0.000 1.165 374 G CA 1.145 46.247 45.100 0.003 0.000 0.784 374 G HN 0.518 nan 8.290 nan 0.000 0.535 375 T N 1.747 116.305 114.554 0.007 0.000 2.622 375 T HA -0.089 4.260 4.350 -0.000 0.000 0.266 375 T C 2.442 177.134 174.700 -0.015 0.000 1.047 375 T CA 1.159 63.257 62.100 -0.003 0.000 1.159 375 T CB -0.339 68.547 68.868 0.031 0.000 0.863 375 T HN 0.138 nan 8.240 nan 0.000 0.422 376 L N 0.875 122.102 121.223 0.006 0.000 2.012 376 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 376 L C 3.103 179.972 176.870 -0.001 0.000 1.073 376 L CA 1.418 56.283 54.840 0.043 0.000 0.748 376 L CB -0.873 41.254 42.059 0.112 0.000 0.891 376 L HN 0.261 nan 8.230 nan 0.000 0.431 377 A N 0.194 122.894 122.820 -0.200 0.000 1.892 377 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 377 A C 2.558 180.012 177.584 -0.218 0.000 1.188 377 A CA 2.122 53.846 52.037 -0.521 0.000 0.631 377 A CB -0.829 17.739 19.000 -0.720 0.000 0.822 377 A HN 0.431 nan 8.150 nan 0.000 0.447 378 A N -0.371 122.371 122.820 -0.129 0.000 1.877 378 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 378 A C 1.932 179.515 177.584 -0.002 0.000 1.186 378 A CA 1.713 53.713 52.037 -0.062 0.000 0.620 378 A CB -0.609 18.354 19.000 -0.063 0.000 0.822 378 A HN 0.655 nan 8.150 nan 0.000 0.443 379 E N -0.102 120.099 120.200 0.002 0.000 2.038 379 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 379 E C 2.319 178.968 176.600 0.083 0.000 1.000 379 E CA 1.505 57.936 56.400 0.052 0.000 0.803 379 E CB -0.240 29.483 29.700 0.038 0.000 0.750 379 E HN 0.563 nan 8.360 nan 0.000 0.448 380 S N 0.681 116.410 115.700 0.049 0.000 2.399 380 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 380 S C 1.996 176.613 174.600 0.029 0.000 1.022 380 S CA 0.778 59.005 58.200 0.046 0.000 0.983 380 S CB -0.129 63.118 63.200 0.079 0.000 0.803 380 S HN 0.207 nan 8.310 nan 0.000 0.480 381 I N -0.056 120.527 120.570 0.022 0.000 2.406 381 I HA -0.094 4.076 4.170 -0.000 0.000 0.249 381 I C 2.014 178.162 176.117 0.051 0.000 1.122 381 I CA 0.932 62.241 61.300 0.014 0.000 1.431 381 I CB -0.249 37.746 38.000 -0.008 0.000 1.087 381 I HN 0.248 nan 8.210 nan 0.000 0.424 382 F N 1.980 121.891 119.950 -0.066 0.000 2.134 382 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 382 F C 2.301 178.048 175.800 -0.087 0.000 1.097 382 F CA 1.438 59.392 58.000 -0.078 0.000 1.264 382 F CB -0.155 38.791 39.000 -0.089 0.000 1.001 382 F HN 0.056 nan 8.300 nan 0.000 0.479 383 N N 0.445 119.122 118.700 -0.039 0.000 2.334 383 N HA -0.234 4.506 4.740 -0.000 0.000 0.187 383 N C 1.523 176.937 175.510 -0.160 0.000 1.016 383 N CA 1.235 54.212 53.050 -0.122 0.000 0.879 383 N CB -0.293 38.178 38.487 -0.027 0.000 0.965 383 N HN 0.539 nan 8.380 nan 0.000 0.438 384 Q N -0.633 119.089 119.800 -0.130 0.000 2.317 384 Q HA 0.222 4.562 4.340 -0.000 0.000 0.220 384 Q C 1.315 177.237 176.000 -0.129 0.000 0.873 384 Q CA -0.063 55.675 55.803 -0.108 0.000 0.936 384 Q CB 0.542 29.245 28.738 -0.058 0.000 1.105 384 Q HN 0.288 nan 8.270 nan 0.000 0.520 385 L N -0.691 120.422 121.223 -0.184 0.000 2.513 385 L HA 0.182 4.522 4.340 -0.000 0.000 0.222 385 L C 0.623 177.338 176.870 -0.258 0.000 1.096 385 L CA 0.441 55.178 54.840 -0.172 0.000 0.857 385 L CB 0.695 42.677 42.059 -0.130 0.000 1.026 385 L HN -0.100 nan 8.230 nan 0.000 0.469 386 T N -0.749 113.560 114.554 -0.408 0.000 3.400 386 T HA 0.375 4.725 4.350 -0.000 0.000 0.362 386 T C 0.460 174.990 174.700 -0.285 0.000 1.823 386 T CA 0.128 61.953 62.100 -0.459 0.000 1.374 386 T CB 0.663 68.969 68.868 -0.937 0.000 1.130 386 T HN 0.100 nan 8.240 nan 0.000 0.744 387 S N 1.620 117.211 115.700 -0.182 0.000 5.659 387 S HA 0.215 4.684 4.470 -0.000 0.000 0.135 387 S C 0.503 175.052 174.600 -0.085 0.000 1.128 387 S CA 0.117 58.243 58.200 -0.125 0.000 1.392 387 S CB 0.260 63.391 63.200 -0.116 0.000 1.926 387 S HN 0.647 nan 8.310 nan 0.000 0.537 388 E N 0.365 120.519 120.200 -0.077 0.000 3.045 388 E HA -0.151 4.199 4.350 -0.000 0.000 0.216 388 E C -1.492 175.080 176.600 -0.046 0.000 1.052 388 E CA 0.578 56.945 56.400 -0.054 0.000 1.945 388 E CB -1.407 28.266 29.700 -0.044 0.000 1.755 388 E HN 0.424 nan 8.360 nan 0.000 0.566 389 N N 1.781 120.457 118.700 -0.039 0.000 2.843 389 N HA -0.217 4.523 4.740 -0.000 0.000 0.303 389 N C -0.795 174.697 175.510 -0.030 0.000 1.092 389 N CA 0.752 53.782 53.050 -0.033 0.000 0.802 389 N CB -0.538 37.928 38.487 -0.036 0.000 0.984 389 N HN 0.092 nan 8.380 nan 0.000 0.595 390 L N 1.524 122.733 121.223 -0.023 0.000 2.410 390 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 390 L C 1.238 178.103 176.870 -0.009 0.000 1.144 390 L CA 0.706 55.536 54.840 -0.017 0.000 0.863 390 L CB 0.427 42.477 42.059 -0.015 0.000 1.140 390 L HN 0.516 nan 8.230 nan 0.000 0.463 391 Q N 2.711 122.510 119.800 -0.002 0.000 2.400 391 Q HA 0.617 4.957 4.340 -0.000 0.000 0.255 391 Q C 0.065 176.077 176.000 0.021 0.000 1.008 391 Q CA -0.313 55.496 55.803 0.011 0.000 0.841 391 Q CB 0.990 nan 28.738 nan 0.000 1.220 391 Q HN 0.789 nan 8.270 nan 0.000 0.474 392 S N 0.523 116.234 115.700 0.019 0.000 2.768 392 S HA 0.722 5.192 4.470 -0.000 0.000 0.300 392 S C 0.123 174.741 174.600 0.029 0.000 1.122 392 S CA -0.378 57.833 58.200 0.017 0.000 0.995 392 S CB 0.827 64.031 63.200 0.005 0.000 1.195 392 S HN 0.800 nan 8.310 nan 0.000 0.547 393 K N 0.346 120.759 120.400 0.021 0.000 3.244 393 K HA -0.134 4.186 4.320 -0.000 0.000 0.270 393 K C -0.893 175.740 176.600 0.055 0.000 1.016 393 K CA 0.980 57.286 56.287 0.030 0.000 0.754 393 K CB -2.314 30.204 32.500 0.031 0.000 1.326 393 K HN 1.168 nan 8.250 nan 0.000 0.465 394 T N -3.025 111.559 114.554 0.051 0.000 4.124 394 T HA 0.175 4.525 4.350 -0.000 0.000 0.292 394 T C 0.418 175.144 174.700 0.044 0.000 0.676 394 T CA -0.711 61.438 62.100 0.081 0.000 0.903 394 T CB -0.412 68.521 68.868 0.108 0.000 1.257 394 T HN 0.083 nan 8.240 nan 0.000 0.466 395 I N 1.222 121.789 120.570 -0.006 0.000 3.001 395 I HA 0.207 4.377 4.170 -0.000 0.000 0.268 395 I C 1.634 177.758 176.117 0.011 0.000 1.267 395 I CA 0.647 61.884 61.300 -0.106 0.000 1.472 395 I CB -0.169 37.559 38.000 -0.454 0.000 1.089 395 I HN 0.809 nan 8.210 nan 0.000 0.468 396 G N 1.401 110.279 108.800 0.131 0.000 2.368 396 G HA2 0.546 4.506 3.960 -0.000 0.000 0.320 396 G HA3 0.546 4.506 3.960 -0.000 0.000 0.320 396 G C -0.559 174.389 174.900 0.080 0.000 1.158 396 G CA -0.495 44.697 45.100 0.153 0.000 0.912 396 G HN -0.122 nan 8.290 nan 0.000 0.456 397 L N 1.222 122.475 121.223 0.050 0.000 2.499 397 L HA 0.158 4.498 4.340 -0.000 0.000 0.281 397 L C 0.741 177.643 176.870 0.053 0.000 1.234 397 L CA 0.521 55.387 54.840 0.044 0.000 0.839 397 L CB 0.350 42.420 42.059 0.018 0.000 1.104 397 L HN 0.660 nan 8.230 nan 0.000 0.500 398 H N 1.346 120.392 119.070 -0.040 0.000 2.736 398 H HA 0.368 4.924 4.556 -0.000 0.000 0.271 398 H C -0.704 174.593 175.328 -0.053 0.000 1.184 398 H CA -0.685 55.325 56.048 -0.063 0.000 1.378 398 H CB 0.868 30.614 29.762 -0.027 0.000 1.428 398 H HN 0.354 nan 8.280 nan 0.000 0.500 399 V N 5.394 125.381 119.914 0.122 0.000 2.248 399 V HA -0.100 4.020 4.120 -0.000 0.000 0.309 399 V C 1.956 178.084 176.094 0.057 0.000 1.722 399 V CA 0.906 63.239 62.300 0.057 0.000 1.693 399 V CB -0.910 30.938 31.823 0.041 0.000 1.470 399 V HN 0.903 nan 8.190 nan 0.000 0.518 400 T N -0.268 114.253 114.554 -0.055 0.000 2.848 400 T HA -0.257 4.093 4.350 -0.000 0.000 0.269 400 T C 1.565 176.217 174.700 -0.080 0.000 1.081 400 T CA 1.684 63.707 62.100 -0.128 0.000 1.125 400 T CB -0.198 68.496 68.868 -0.290 0.000 0.848 400 T HN 0.707 nan 8.240 nan 0.000 0.503 401 E N 0.412 120.586 120.200 -0.044 0.000 2.338 401 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 401 E C 1.871 178.472 176.600 0.002 0.000 1.007 401 E CA 0.860 57.238 56.400 -0.037 0.000 0.849 401 E CB -0.975 28.711 29.700 -0.023 0.000 0.774 401 E HN 0.850 nan 8.360 nan 0.000 0.506 402 Y N 1.863 122.120 120.300 -0.072 0.000 2.145 402 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 402 Y C 2.447 178.292 175.900 -0.093 0.000 1.145 402 Y CA 2.001 60.061 58.100 -0.067 0.000 1.148 402 Y CB 0.060 38.494 38.460 -0.042 0.000 0.981 402 Y HN 0.063 nan 8.280 nan 0.000 0.507 403 E N 0.083 120.020 120.200 -0.439 0.000 2.106 403 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 403 E C 1.653 178.001 176.600 -0.420 0.000 0.984 403 E CA 1.317 57.397 56.400 -0.534 0.000 0.806 403 E CB -0.076 29.428 29.700 -0.327 0.000 0.750 403 E HN 0.568 nan 8.360 nan 0.000 0.458 404 D N 0.536 120.767 120.400 -0.282 0.000 2.087 404 D HA -0.167 4.473 4.640 -0.000 0.000 0.192 404 D C 1.703 177.840 176.300 -0.271 0.000 0.993 404 D CA 0.895 54.742 54.000 -0.255 0.000 0.828 404 D CB -0.400 40.301 40.800 -0.165 0.000 0.968 404 D HN 0.194 nan 8.370 nan 0.000 0.448 405 N N 0.721 119.301 118.700 -0.199 0.000 2.149 405 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 405 N C 2.016 177.391 175.510 -0.226 0.000 1.019 405 N CA 0.326 53.280 53.050 -0.160 0.000 0.857 405 N CB -0.322 38.127 38.487 -0.063 0.000 0.997 405 N HN 0.165 nan 8.380 nan 0.000 0.426 406 L N 1.863 122.892 121.223 -0.325 0.000 2.093 406 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 406 L C 1.832 178.450 176.870 -0.420 0.000 1.085 406 L CA 1.651 56.268 54.840 -0.372 0.000 0.755 406 L CB -0.222 41.535 42.059 -0.504 0.000 0.904 406 L HN -0.027 nan 8.230 nan 0.000 0.435 407 K N -0.508 119.479 120.400 -0.688 0.000 2.362 407 K HA -0.034 4.286 4.320 -0.000 0.000 0.200 407 K C 1.040 177.296 176.600 -0.574 0.000 1.046 407 K CA 1.002 56.592 56.287 -1.162 0.000 0.952 407 K CB -0.168 31.563 32.500 -1.282 0.000 0.753 407 K HN 0.466 nan 8.250 nan 0.000 0.466 408 N N 0.831 119.340 118.700 -0.318 0.000 2.236 408 N HA -0.015 4.725 4.740 -0.000 0.000 0.196 408 N C 0.239 175.710 175.510 -0.065 0.000 1.114 408 N CA 0.100 53.059 53.050 -0.151 0.000 0.859 408 N CB 0.681 39.090 38.487 -0.130 0.000 0.982 408 N HN 0.113 nan 8.380 nan 0.000 0.493 409 S N 0.156 115.795 115.700 -0.102 0.000 2.681 409 S HA 0.178 4.648 4.470 -0.000 0.000 0.270 409 S C 1.452 176.033 174.600 -0.032 0.000 1.209 409 S CA -0.973 57.151 58.200 -0.127 0.000 0.988 409 S CB 0.543 63.533 63.200 -0.349 0.000 1.006 409 S HN 0.417 nan 8.310 nan 0.000 0.558 410 W N -0.355 121.004 121.300 0.098 0.000 2.465 410 W HA 0.050 4.710 4.660 -0.000 0.000 0.268 410 W C 1.187 177.800 176.519 0.157 0.000 1.242 410 W CA 0.391 57.810 57.345 0.122 0.000 1.248 410 W CB -1.607 27.918 29.460 0.109 0.000 1.118 410 W HN 0.375 nan 8.180 nan 0.000 0.587 411 V N 1.519 121.141 119.914 -0.486 0.000 2.287 411 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 411 V C 2.484 178.627 176.094 0.082 0.000 1.053 411 V CA 2.546 64.624 62.300 -0.370 0.000 1.027 411 V CB -1.110 30.296 31.823 -0.695 0.000 0.646 411 V HN 0.354 nan 8.190 nan 0.000 0.447 412 W N 0.654 121.903 121.300 -0.086 0.000 2.332 412 W HA -0.183 4.477 4.660 -0.000 0.000 0.321 412 W C 2.563 179.191 176.519 0.182 0.000 1.219 412 W CA 1.699 59.098 57.345 0.090 0.000 1.277 412 W CB -0.166 29.318 29.460 0.041 0.000 1.161 412 W HN 0.143 nan 8.180 nan 0.000 0.476 413 K N 0.602 121.204 120.400 0.337 0.000 2.209 413 K HA -0.209 4.111 4.320 -0.000 0.000 0.204 413 K C 1.693 178.428 176.600 0.225 0.000 1.048 413 K CA 1.482 57.903 56.287 0.224 0.000 0.940 413 K CB -0.543 32.079 32.500 0.204 0.000 0.729 413 K HN 0.431 nan 8.250 nan 0.000 0.451 414 E N 0.658 121.024 120.200 0.276 0.000 2.046 414 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 414 E C 2.019 178.745 176.600 0.209 0.000 0.982 414 E CA 0.595 57.169 56.400 0.290 0.000 0.800 414 E CB 0.078 30.035 29.700 0.429 0.000 0.756 414 E HN 0.161 nan 8.360 nan 0.000 0.449 415 L N 0.031 121.359 121.223 0.175 0.000 2.156 415 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 415 L C 2.449 179.334 176.870 0.025 0.000 1.095 415 L CA 0.916 55.836 54.840 0.132 0.000 0.770 415 L CB -0.457 41.700 42.059 0.165 0.000 0.914 415 L HN 0.269 nan 8.230 nan 0.000 0.439 416 Y N 1.206 121.349 120.300 -0.261 0.000 2.145 416 Y HA -0.330 4.220 4.550 -0.000 0.000 0.286 416 Y C 2.964 178.682 175.900 -0.304 0.000 1.145 416 Y CA 1.733 59.436 58.100 -0.661 0.000 1.148 416 Y CB -0.259 37.782 38.460 -0.700 0.000 0.981 416 Y HN 0.270 nan 8.280 nan 0.000 0.507 417 S N -0.621 115.101 115.700 0.036 0.000 2.419 417 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 417 S C 1.404 176.086 174.600 0.137 0.000 1.019 417 S CA 1.349 59.617 58.200 0.115 0.000 0.982 417 S CB -1.248 62.104 63.200 0.253 0.000 0.789 417 S HN 0.396 nan 8.310 nan 0.000 0.490 418 V N -0.105 119.818 119.914 0.015 0.000 3.121 418 V HA 0.417 4.537 4.120 -0.000 0.000 0.344 418 V C 1.925 177.941 176.094 -0.130 0.000 1.390 418 V CA -0.062 62.187 62.300 -0.084 0.000 1.177 418 V CB -0.632 31.111 31.823 -0.133 0.000 1.163 418 V HN 0.527 nan 8.190 nan 0.000 0.484 419 R N 1.012 121.393 120.500 -0.198 0.000 2.115 419 R HA -0.060 4.280 4.340 -0.000 0.000 0.230 419 R C 0.989 177.160 176.300 -0.214 0.000 1.111 419 R CA 1.904 57.882 56.100 -0.203 0.000 0.976 419 R CB -0.301 29.785 30.300 -0.357 0.000 0.870 419 R HN 0.537 nan 8.270 nan 0.000 0.445 420 N N 0.730 119.287 118.700 -0.239 0.000 2.322 420 N HA 0.098 4.838 4.740 -0.000 0.000 0.194 420 N C 1.476 176.703 175.510 -0.472 0.000 1.126 420 N CA 0.196 53.057 53.050 -0.314 0.000 0.845 420 N CB 0.330 38.662 38.487 -0.258 0.000 0.976 420 N HN 0.339 nan 8.380 nan 0.000 0.475 421 I N 0.389 120.775 120.570 -0.308 0.000 2.206 421 I HA -0.136 4.034 4.170 -0.000 0.000 0.239 421 I C 2.537 178.463 176.117 -0.319 0.000 1.078 421 I CA 0.629 61.753 61.300 -0.293 0.000 1.367 421 I CB -0.140 37.747 38.000 -0.189 0.000 1.078 421 I HN 0.036 nan 8.210 nan 0.000 0.413 422 R N 0.813 121.140 120.500 -0.288 0.000 2.083 422 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 422 R C -0.217 175.803 176.300 -0.468 0.000 1.137 422 R CA 1.932 57.800 56.100 -0.386 0.000 0.951 422 R CB -1.673 28.436 30.300 -0.317 0.000 0.851 422 R HN 0.288 nan 8.270 nan 0.000 0.434 423 P HA -0.078 nan 4.420 nan 0.000 0.218 423 P C 1.054 178.057 177.300 -0.496 0.000 1.149 423 P CA 1.506 64.366 63.100 -0.401 0.000 0.817 423 P CB -0.092 31.478 31.700 -0.217 0.000 0.785 424 S N -2.270 113.153 115.700 -0.462 0.000 2.603 424 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 424 S C 1.589 176.049 174.600 -0.232 0.000 0.972 424 S CA 0.638 58.623 58.200 -0.359 0.000 0.935 424 S CB -1.727 61.123 63.200 -0.585 0.000 0.769 424 S HN 0.165 nan 8.310 nan 0.000 0.536 425 C N 1.822 120.896 119.300 -0.375 0.000 2.562 425 C HA 0.189 4.649 4.460 -0.000 0.000 0.266 425 C C 1.489 176.427 174.990 -0.088 0.000 1.382 425 C CA -0.290 58.597 59.018 -0.219 0.000 1.742 425 C CB -1.568 26.030 27.740 -0.237 0.000 1.812 425 C HN 0.637 nan 8.230 nan 0.000 0.559 426 H N 0.463 119.557 119.070 0.040 0.000 2.555 426 H HA 0.219 4.775 4.556 -0.000 0.000 0.283 426 H C 1.388 176.782 175.328 0.110 0.000 1.037 426 H CA 0.371 56.467 56.048 0.079 0.000 1.169 426 H CB -0.585 29.197 29.762 0.034 0.000 1.375 426 H HN 0.495 nan 8.280 nan 0.000 0.582 427 G N 0.226 109.143 108.800 0.194 0.000 2.508 427 G HA2 0.176 4.136 3.960 -0.000 0.000 0.278 427 G HA3 0.176 4.136 3.960 -0.000 0.000 0.278 427 G C 1.097 176.153 174.900 0.260 0.000 1.389 427 G CA -0.584 44.626 45.100 0.183 0.000 1.050 427 G HN 0.386 nan 8.290 nan 0.000 0.522 428 I N -0.967 119.732 120.570 0.216 0.000 3.111 428 I HA 0.149 4.319 4.170 -0.000 0.000 0.272 428 I C 1.373 177.620 176.117 0.218 0.000 1.268 428 I CA 0.477 61.931 61.300 0.257 0.000 1.467 428 I CB 0.055 38.154 38.000 0.166 0.000 1.087 428 I HN 0.197 nan 8.210 nan 0.000 0.467 429 L N 0.420 121.739 121.223 0.160 0.000 2.667 429 L HA 0.330 4.670 4.340 -0.000 0.000 0.232 429 L C 1.440 178.370 176.870 0.100 0.000 1.138 429 L CA 0.210 55.125 54.840 0.124 0.000 0.921 429 L CB -0.461 41.693 42.059 0.158 0.000 1.180 429 L HN 0.416 nan 8.230 nan 0.000 0.487 430 G N 1.341 110.159 108.800 0.030 0.000 2.634 430 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.309 430 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.309 430 G C 1.004 175.937 174.900 0.056 0.000 1.265 430 G CA 1.121 46.224 45.100 0.006 0.000 0.998 430 G HN 0.243 nan 8.290 nan 0.000 0.551 431 V N -2.359 117.551 119.914 -0.006 0.000 2.626 431 V HA -0.026 4.094 4.120 -0.000 0.000 0.252 431 V C 2.329 178.367 176.094 -0.094 0.000 1.067 431 V CA 2.655 64.923 62.300 -0.053 0.000 1.081 431 V CB -1.012 30.738 31.823 -0.122 0.000 0.686 431 V HN 0.707 nan 8.190 nan 0.000 0.468 432 Y N 2.385 122.727 120.300 0.070 0.000 2.293 432 Y HA 0.124 4.674 4.550 -0.000 0.000 0.291 432 Y C 2.747 178.701 175.900 0.090 0.000 1.137 432 Y CA 1.525 59.674 58.100 0.081 0.000 1.202 432 Y CB -0.811 37.687 38.460 0.063 0.000 0.990 432 Y HN 0.361 nan 8.280 nan 0.000 0.537 433 G N -0.604 108.328 108.800 0.221 0.000 2.421 433 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 433 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 433 G C 1.960 176.968 174.900 0.180 0.000 1.143 433 G CA 0.732 45.946 45.100 0.189 0.000 0.784 433 G HN 0.492 nan 8.290 nan 0.000 0.541 434 G N 0.555 109.426 108.800 0.118 0.000 2.443 434 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 434 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 434 G C 1.801 176.784 174.900 0.138 0.000 1.131 434 G CA 0.630 45.782 45.100 0.086 0.000 0.775 434 G HN 0.406 nan 8.290 nan 0.000 0.547 435 M N -0.113 119.564 119.600 0.129 0.000 2.200 435 M HA 0.150 4.630 4.480 -0.000 0.000 0.265 435 M C 2.474 178.864 176.300 0.151 0.000 1.066 435 M CA 0.902 56.272 55.300 0.117 0.000 1.127 435 M CB -0.208 32.466 32.600 0.123 0.000 1.379 435 M HN 0.181 nan 8.290 nan 0.000 0.420 436 I N -1.029 119.651 120.570 0.184 0.000 2.226 436 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 436 I C 2.398 178.650 176.117 0.226 0.000 1.100 436 I CA 1.505 62.911 61.300 0.178 0.000 1.374 436 I CB -0.503 37.602 38.000 0.174 0.000 1.057 436 I HN 0.230 nan 8.210 nan 0.000 0.413 437 Y N 1.865 122.260 120.300 0.158 0.000 2.181 437 Y HA -0.299 4.251 4.550 -0.000 0.000 0.288 437 Y C 2.741 178.782 175.900 0.235 0.000 1.146 437 Y CA 2.234 60.469 58.100 0.224 0.000 1.164 437 Y CB -0.285 38.288 38.460 0.188 0.000 0.982 437 Y HN 0.109 nan 8.280 nan 0.000 0.515 438 T N -0.921 113.867 114.554 0.389 0.000 2.746 438 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 438 T C 2.003 176.875 174.700 0.287 0.000 1.039 438 T CA 1.350 63.633 62.100 0.306 0.000 1.142 438 T CB -0.961 67.981 68.868 0.124 0.000 0.866 438 T HN 0.569 nan 8.240 nan 0.000 0.444 439 G N 0.720 109.637 108.800 0.196 0.000 2.422 439 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.218 439 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.218 439 G C 1.403 176.453 174.900 0.250 0.000 1.140 439 G CA 0.239 45.457 45.100 0.198 0.000 0.775 439 G HN 0.431 nan 8.290 nan 0.000 0.545 440 I N -0.701 119.945 120.570 0.126 0.000 2.479 440 I HA 0.081 4.251 4.170 -0.000 0.000 0.226 440 I C 2.122 178.223 176.117 -0.026 0.000 1.060 440 I CA 0.600 61.885 61.300 -0.025 0.000 1.380 440 I CB -0.362 37.501 38.000 -0.229 0.000 1.192 440 I HN 0.036 nan 8.210 nan 0.000 0.411 441 F N -0.729 119.208 119.950 -0.021 0.000 2.583 441 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 441 F C 1.929 177.828 175.800 0.165 0.000 1.131 441 F CA 1.142 59.129 58.000 -0.022 0.000 1.467 441 F CB -0.055 38.586 39.000 -0.599 0.000 1.097 441 F HN 0.188 nan 8.300 nan 0.000 0.586 442 Y N -2.261 118.176 120.300 0.229 0.000 2.697 442 Y HA -0.012 4.538 4.550 -0.000 0.000 0.268 442 Y C 1.937 177.934 175.900 0.162 0.000 1.092 442 Y CA -0.010 58.212 58.100 0.204 0.000 1.304 442 Y CB -0.850 37.738 38.460 0.214 0.000 1.446 442 Y HN 0.012 nan 8.280 nan 0.000 0.491 443 W N 1.554 122.928 121.300 0.125 0.000 2.338 443 W HA -0.211 4.449 4.660 -0.000 0.000 0.304 443 W C 1.540 177.967 176.519 -0.152 0.000 1.212 443 W CA 2.655 59.995 57.345 -0.008 0.000 1.264 443 W CB -0.421 29.047 29.460 0.013 0.000 1.142 443 W HN 0.168 nan 8.180 nan 0.000 0.512 444 I N -1.526 118.874 120.570 -0.284 0.000 2.429 444 I HA -0.142 4.028 4.170 -0.000 0.000 0.247 444 I C 1.398 177.058 176.117 -0.761 0.000 1.099 444 I CA 0.837 61.724 61.300 -0.688 0.000 1.422 444 I CB -0.430 37.162 38.000 -0.679 0.000 1.112 444 I HN -0.234 nan 8.210 nan 0.000 0.430 445 F N 0.802 120.606 119.950 -0.243 0.000 2.664 445 F HA 0.256 4.783 4.527 -0.000 0.000 0.303 445 F C 0.448 176.119 175.800 -0.215 0.000 1.092 445 F CA -0.427 57.461 58.000 -0.187 0.000 1.305 445 F CB 0.172 39.127 39.000 -0.075 0.000 1.054 445 F HN -0.144 nan 8.300 nan 0.000 0.565 446 R N 0.576 120.915 120.500 -0.268 0.000 3.387 446 R HA -0.232 4.108 4.340 -0.000 0.000 0.254 446 R C 1.203 177.332 176.300 -0.284 0.000 1.006 446 R CA 0.576 56.345 56.100 -0.553 0.000 0.677 446 R CB -2.748 27.323 30.300 -0.381 0.000 1.063 446 R HN 0.629 nan 8.270 nan 0.000 0.453 447 G N -0.441 108.347 108.800 -0.020 0.000 2.221 447 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.265 447 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.265 447 G C 0.960 175.849 174.900 -0.018 0.000 1.041 447 G CA 0.612 45.769 45.100 0.094 0.000 0.807 447 G HN 0.453 nan 8.290 nan 0.000 0.502 448 M N 0.046 119.655 119.600 0.015 0.000 2.388 448 M HA 0.065 4.545 4.480 -0.000 0.000 0.265 448 M C 1.318 177.515 176.300 -0.171 0.000 1.088 448 M CA 0.881 56.171 55.300 -0.017 0.000 1.134 448 M CB -0.299 32.342 32.600 0.068 0.000 1.384 448 M HN 0.605 nan 8.290 nan 0.000 0.447 449 E N 2.728 122.711 120.200 -0.362 0.000 3.142 449 E HA -0.156 4.194 4.350 -0.000 0.000 0.276 449 E C -1.850 174.281 176.600 -0.783 0.000 0.887 449 E CA -0.472 55.391 56.400 -0.895 0.000 0.975 449 E CB -0.558 28.169 29.700 -1.622 0.000 0.937 449 E HN 0.256 nan 8.360 nan 0.000 0.516 450 P HA -0.035 nan 4.420 nan 0.000 0.258 450 P C -0.965 176.323 177.300 -0.019 0.000 1.319 450 P CA 0.523 63.519 63.100 -0.172 0.000 0.785 450 P CB -0.400 31.308 31.700 0.012 0.000 1.252 451 W N -1.711 119.532 121.300 -0.096 0.000 3.040 451 W HA 0.692 5.352 4.660 -0.000 0.000 0.344 451 W C -1.445 174.994 176.519 -0.133 0.000 1.201 451 W CA -1.085 56.203 57.345 -0.095 0.000 1.119 451 W CB 0.011 29.403 29.460 -0.112 0.000 1.478 451 W HN -0.438 nan 8.180 nan 0.000 0.586 452 T N 3.007 117.692 114.554 0.219 0.000 2.985 452 T HA 0.395 4.745 4.350 -0.000 0.000 0.315 452 T C -0.190 174.561 174.700 0.085 0.000 1.001 452 T CA -0.603 61.529 62.100 0.053 0.000 1.016 452 T CB 0.283 69.150 68.868 -0.002 0.000 0.993 452 T HN 0.408 nan 8.240 nan 0.000 0.454 453 L N 2.771 124.034 121.223 0.066 0.000 2.483 453 L HA 0.309 4.649 4.340 -0.000 0.000 0.275 453 L C 0.854 177.648 176.870 -0.127 0.000 1.220 453 L CA -0.043 54.782 54.840 -0.024 0.000 0.833 453 L CB 0.285 42.300 42.059 -0.072 0.000 1.102 453 L HN 0.414 nan 8.230 nan 0.000 0.490 454 K N 0.577 120.910 120.400 -0.112 0.000 2.139 454 K HA 0.439 4.759 4.320 -0.000 0.000 0.243 454 K C -0.690 175.834 176.600 -0.126 0.000 0.983 454 K CA -0.987 55.202 56.287 -0.164 0.000 0.890 454 K CB 1.170 33.625 32.500 -0.075 0.000 1.090 454 K HN 0.411 nan 8.250 nan 0.000 0.445 455 H N 1.092 120.165 119.070 0.005 0.000 2.488 455 H HA 0.136 4.692 4.556 -0.000 0.000 0.347 455 H C 0.406 175.689 175.328 -0.076 0.000 1.174 455 H CA -0.137 55.915 56.048 0.006 0.000 1.307 455 H CB 1.235 30.979 29.762 -0.031 0.000 1.517 455 H HN 0.443 nan 8.280 nan 0.000 0.554 456 K N 1.024 121.386 120.400 -0.063 0.000 2.515 456 K HA 0.070 4.390 4.320 -0.000 0.000 0.196 456 K C 0.782 177.331 176.600 -0.086 0.000 1.038 456 K CA 0.599 56.786 56.287 -0.166 0.000 0.967 456 K CB 0.253 32.544 32.500 -0.349 0.000 0.780 456 K HN 0.880 nan 8.250 nan 0.000 0.483 457 G N 0.188 108.968 108.800 -0.033 0.000 2.396 457 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.254 457 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.254 457 G C -0.867 173.997 174.900 -0.059 0.000 1.248 457 G CA -0.765 44.313 45.100 -0.036 0.000 1.033 457 G HN 0.086 nan 8.290 nan 0.000 0.502 458 S N 0.853 116.521 115.700 -0.053 0.000 2.562 458 S HA 0.299 4.769 4.470 -0.000 0.000 0.281 458 S C 1.073 175.629 174.600 -0.074 0.000 1.333 458 S CA 0.221 58.392 58.200 -0.049 0.000 1.052 458 S CB 1.150 64.329 63.200 -0.035 0.000 0.884 458 S HN 0.519 nan 8.310 nan 0.000 0.506 459 D N 2.131 122.492 120.400 -0.065 0.000 2.218 459 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 459 D C 2.130 178.326 176.300 -0.173 0.000 0.976 459 D CA 1.433 55.365 54.000 -0.113 0.000 0.853 459 D CB -0.294 40.456 40.800 -0.083 0.000 0.939 459 D HN 0.655 nan 8.370 nan 0.000 0.481 460 S N 1.018 116.627 115.700 -0.152 0.000 2.382 460 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 460 S C 1.121 175.617 174.600 -0.173 0.000 1.027 460 S CA 0.877 58.966 58.200 -0.184 0.000 0.991 460 S CB -0.084 63.030 63.200 -0.143 0.000 0.823 460 S HN 0.073 nan 8.310 nan 0.000 0.469 461 D N 0.690 121.018 120.400 -0.120 0.000 2.434 461 D HA 0.196 4.836 4.640 -0.000 0.000 0.232 461 D C 0.849 177.098 176.300 -0.086 0.000 1.166 461 D CA 0.119 54.067 54.000 -0.088 0.000 0.830 461 D CB 0.294 41.062 40.800 -0.052 0.000 0.960 461 D HN 0.357 nan 8.370 nan 0.000 0.497 462 Q N -0.030 119.694 119.800 -0.127 0.000 2.282 462 Q HA 0.255 4.595 4.340 -0.000 0.000 0.206 462 Q C 0.260 176.206 176.000 -0.090 0.000 0.878 462 Q CA 0.014 55.753 55.803 -0.108 0.000 0.944 462 Q CB 0.559 29.217 28.738 -0.132 0.000 1.100 462 Q HN 0.295 nan 8.270 nan 0.000 0.509 463 L N 1.247 122.401 121.223 -0.115 0.000 2.331 463 L HA 0.239 4.579 4.340 -0.000 0.000 0.278 463 L C 0.214 177.154 176.870 0.117 0.000 1.106 463 L CA -0.088 54.721 54.840 -0.053 0.000 0.824 463 L CB 0.949 42.883 42.059 -0.208 0.000 1.142 463 L HN -0.026 nan 8.230 nan 0.000 0.443 464 K N 3.944 124.428 120.400 0.140 0.000 2.090 464 K HA 0.402 4.722 4.320 -0.000 0.000 0.249 464 K C -2.359 174.351 176.600 0.183 0.000 0.995 464 K CA -1.626 54.745 56.287 0.140 0.000 0.914 464 K CB 0.856 33.408 32.500 0.085 0.000 1.057 464 K HN 0.266 nan 8.250 nan 0.000 0.462 465 P HA 0.011 nan 4.420 nan 0.000 0.275 465 P C -0.363 176.902 177.300 -0.060 0.000 1.228 465 P CA 0.114 63.135 63.100 -0.132 0.000 0.786 465 P CB 0.999 32.596 31.700 -0.172 0.000 0.927 466 A N 4.568 127.321 122.820 -0.112 0.000 1.883 466 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 466 A C 1.722 179.347 177.584 0.068 0.000 1.186 466 A CA 1.756 53.743 52.037 -0.084 0.000 0.624 466 A CB -1.200 17.730 19.000 -0.117 0.000 0.822 466 A HN 0.654 nan 8.150 nan 0.000 0.444 467 K N -0.676 119.741 120.400 0.027 0.000 2.362 467 K HA -0.190 4.130 4.320 -0.000 0.000 0.202 467 K C 0.321 176.954 176.600 0.055 0.000 1.045 467 K CA 1.583 57.898 56.287 0.047 0.000 0.936 467 K CB -0.388 32.114 32.500 0.003 0.000 0.747 467 K HN 0.411 nan 8.250 nan 0.000 0.467 468 D N 0.441 120.870 120.400 0.048 0.000 2.346 468 D HA 0.061 4.701 4.640 -0.000 0.000 0.206 468 D C 0.501 176.851 176.300 0.084 0.000 1.001 468 D CA 0.185 54.216 54.000 0.052 0.000 0.871 468 D CB 0.135 40.955 40.800 0.033 0.000 0.943 468 D HN 0.176 nan 8.370 nan 0.000 0.518 469 C N 0.177 119.555 119.300 0.130 0.000 2.401 469 C HA 0.583 5.043 4.460 -0.000 0.000 0.356 469 C C 0.549 175.680 174.990 0.236 0.000 1.192 469 C CA -0.624 58.500 59.018 0.178 0.000 2.028 469 C CB 1.874 29.733 27.740 0.199 0.000 2.344 469 C HN 0.029 nan 8.230 nan 0.000 0.525 470 T N 2.890 117.556 114.554 0.187 0.000 2.795 470 T HA 0.409 4.758 4.350 -0.000 0.000 0.282 470 T C -2.567 172.174 174.700 0.069 0.000 0.980 470 T CA -0.432 61.723 62.100 0.092 0.000 1.012 470 T CB 1.124 70.014 68.868 0.037 0.000 0.936 470 T HN 0.465 nan 8.240 nan 0.000 0.457 471 P HA 0.263 nan 4.420 nan 0.000 0.271 471 P C -0.531 176.638 177.300 -0.219 0.000 1.218 471 P CA -0.343 62.448 63.100 -0.515 0.000 0.780 471 P CB 0.421 31.564 31.700 -0.929 0.000 0.901 472 I N 2.206 122.671 120.570 -0.176 0.000 2.365 472 I HA 0.152 4.321 4.170 -0.000 0.000 0.291 472 I C 0.910 176.772 176.117 -0.425 0.000 1.004 472 I CA -0.390 60.703 61.300 -0.345 0.000 1.311 472 I CB 0.746 38.411 38.000 -0.558 0.000 1.401 472 I HN 0.155 nan 8.210 nan 0.000 0.491 473 E N 6.639 126.629 120.200 -0.349 0.000 1.993 473 E HA 0.215 4.565 4.350 -0.000 0.000 0.271 473 E C -1.130 175.352 176.600 -0.198 0.000 1.008 473 E CA -0.337 55.940 56.400 -0.206 0.000 0.814 473 E CB 0.507 30.137 29.700 -0.116 0.000 1.098 473 E HN 0.330 nan 8.360 nan 0.000 0.407 474 Y N 2.338 122.629 120.300 -0.015 0.000 2.304 474 Y HA 0.197 4.746 4.550 -0.000 0.000 0.327 474 Y C -1.283 174.597 175.900 -0.034 0.000 1.209 474 Y CA -1.716 56.369 58.100 -0.025 0.000 1.299 474 Y CB 0.102 38.552 38.460 -0.016 0.000 1.249 474 Y HN 0.376 nan 8.280 nan 0.000 0.519 475 P HA 0.109 nan 4.420 nan 0.000 0.274 475 P C -1.235 176.067 177.300 0.003 0.000 1.260 475 P CA -0.609 62.495 63.100 0.007 0.000 0.793 475 P CB 0.564 32.218 31.700 -0.077 0.000 1.048 476 K N 1.222 121.600 120.400 -0.036 0.000 2.130 476 K HA 0.369 4.689 4.320 -0.000 0.000 0.268 476 K C -2.144 174.420 176.600 -0.060 0.000 0.983 476 K CA -1.700 54.572 56.287 -0.025 0.000 0.893 476 K CB 0.257 32.744 32.500 -0.022 0.000 1.066 476 K HN 0.420 nan 8.250 nan 0.000 0.450 477 P HA 0.003 nan 4.420 nan 0.000 0.271 477 P C -0.445 176.801 177.300 -0.090 0.000 1.216 477 P CA -0.098 62.958 63.100 -0.074 0.000 0.771 477 P CB 0.709 32.387 31.700 -0.036 0.000 0.864 478 D N 1.448 121.782 120.400 -0.111 0.000 2.340 478 D HA 0.042 4.682 4.640 -0.000 0.000 0.220 478 D C 1.368 177.582 176.300 -0.142 0.000 1.039 478 D CA 0.514 54.458 54.000 -0.094 0.000 0.866 478 D CB -0.614 40.167 40.800 -0.032 0.000 0.913 478 D HN 0.630 nan 8.370 nan 0.000 0.523 479 G N 0.069 108.704 108.800 -0.276 0.000 2.162 479 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.260 479 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.260 479 G C 0.893 175.638 174.900 -0.259 0.000 0.976 479 G CA 0.683 45.645 45.100 -0.230 0.000 0.655 479 G HN 0.482 nan 8.290 nan 0.000 0.533 480 Q N -1.783 117.766 119.800 -0.419 0.000 2.459 480 Q HA 0.385 4.725 4.340 -0.000 0.000 0.260 480 Q C 2.018 177.947 176.000 -0.118 0.000 0.828 480 Q CA 0.676 56.396 55.803 -0.138 0.000 0.987 480 Q CB 0.354 29.071 28.738 -0.035 0.000 1.216 480 Q HN 0.475 nan 8.270 nan 0.000 0.558 481 I N 0.432 120.778 120.570 -0.373 0.000 3.812 481 I HA 0.018 4.188 4.170 -0.000 0.000 0.292 481 I C 0.445 176.331 176.117 -0.384 0.000 1.206 481 I CA 0.502 61.641 61.300 -0.268 0.000 1.370 481 I CB 0.954 38.596 38.000 -0.598 0.000 1.328 481 I HN -0.069 nan 8.210 nan 0.000 0.453 482 S N 0.237 115.618 115.700 -0.532 0.000 2.482 482 S HA 0.763 5.232 4.470 -0.000 0.000 0.303 482 S C -0.704 173.505 174.600 -0.652 0.000 1.091 482 S CA -0.532 57.450 58.200 -0.364 0.000 1.057 482 S CB 1.369 64.548 63.200 -0.036 0.000 1.031 482 S HN -0.033 nan 8.310 nan 0.000 0.485 483 F N 0.945 120.902 119.950 0.013 0.000 2.654 483 F HA 0.510 5.036 4.527 -0.000 0.000 0.334 483 F C 0.672 176.557 175.800 0.142 0.000 1.078 483 F CA -1.096 56.937 58.000 0.056 0.000 0.986 483 F CB 0.962 39.983 39.000 0.035 0.000 1.362 483 F HN 0.696 nan 8.300 nan 0.000 0.498 484 D N 0.039 120.621 120.400 0.303 0.000 2.478 484 D HA 0.110 4.750 4.640 -0.000 0.000 0.269 484 D C 0.873 177.244 176.300 0.118 0.000 1.232 484 D CA -0.330 53.806 54.000 0.227 0.000 1.059 484 D CB 1.063 41.922 40.800 0.099 0.000 1.104 484 D HN 0.435 nan 8.370 nan 0.000 0.566 485 L N -0.510 120.622 121.223 -0.151 0.000 2.156 485 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 485 L C 2.269 178.935 176.870 -0.340 0.000 1.095 485 L CA 1.121 55.636 54.840 -0.543 0.000 0.770 485 L CB -0.515 41.219 42.059 -0.542 0.000 0.914 485 L HN 0.456 nan 8.230 nan 0.000 0.439 486 L N -1.386 119.732 121.223 -0.175 0.000 2.131 486 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 486 L C 2.534 179.341 176.870 -0.105 0.000 1.087 486 L CA 1.130 55.897 54.840 -0.123 0.000 0.767 486 L CB -0.613 41.404 42.059 -0.071 0.000 0.917 486 L HN 0.365 nan 8.230 nan 0.000 0.441 487 S N -1.313 114.338 115.700 -0.082 0.000 2.402 487 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 487 S C 2.083 176.594 174.600 -0.148 0.000 1.021 487 S CA 1.198 59.351 58.200 -0.079 0.000 0.974 487 S CB -0.326 62.861 63.200 -0.023 0.000 0.800 487 S HN 0.285 nan 8.310 nan 0.000 0.484 488 S N 1.799 117.359 115.700 -0.232 0.000 2.345 488 S HA -0.030 4.440 4.470 -0.000 0.000 0.220 488 S C 2.039 176.477 174.600 -0.269 0.000 1.031 488 S CA 1.279 59.218 58.200 -0.435 0.000 0.996 488 S CB -0.687 61.944 63.200 -0.947 0.000 0.882 488 S HN 0.425 nan 8.310 nan 0.000 0.445 489 V N 2.411 122.196 119.914 -0.215 0.000 2.392 489 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 489 V C 2.664 178.758 176.094 0.001 0.000 1.059 489 V CA 1.681 63.961 62.300 -0.033 0.000 1.051 489 V CB -1.390 30.403 31.823 -0.050 0.000 0.658 489 V HN 0.538 nan 8.190 nan 0.000 0.455 490 A N 0.068 122.864 122.820 -0.040 0.000 1.883 490 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 490 A C 2.006 179.582 177.584 -0.014 0.000 1.186 490 A CA 1.751 53.771 52.037 -0.029 0.000 0.624 490 A CB -0.627 18.346 19.000 -0.046 0.000 0.822 490 A HN 0.534 nan 8.150 nan 0.000 0.444 491 L N 0.913 122.128 121.223 -0.012 0.000 2.711 491 L HA -0.032 4.308 4.340 -0.000 0.000 0.242 491 L C 1.976 178.913 176.870 0.111 0.000 1.153 491 L CA 0.841 55.692 54.840 0.018 0.000 0.898 491 L CB -0.478 41.564 42.059 -0.028 0.000 1.044 491 L HN 0.629 nan 8.230 nan 0.000 0.437 492 S N -2.080 113.688 115.700 0.113 0.000 2.505 492 S HA 0.174 4.643 4.470 -0.000 0.000 0.216 492 S C 1.561 176.118 174.600 -0.070 0.000 1.018 492 S CA 0.405 58.667 58.200 0.103 0.000 0.911 492 S CB 0.783 64.070 63.200 0.145 0.000 0.818 492 S HN 0.433 nan 8.310 nan 0.000 0.497 493 G N 1.448 110.221 108.800 -0.045 0.000 2.155 493 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 493 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 493 G C 0.177 175.003 174.900 -0.123 0.000 0.983 493 G CA 0.508 45.563 45.100 -0.075 0.000 0.676 493 G HN 0.948 nan 8.290 nan 0.000 0.528 494 T N 1.117 115.589 114.554 -0.136 0.000 2.901 494 T HA 0.491 4.841 4.350 -0.000 0.000 0.301 494 T C 0.212 174.860 174.700 -0.087 0.000 1.012 494 T CA 0.560 62.562 62.100 -0.164 0.000 1.135 494 T CB 0.179 68.974 68.868 -0.122 0.000 0.936 494 T HN 1.068 nan 8.240 nan 0.000 0.539 495 N N 2.946 121.534 118.700 -0.187 0.000 2.636 495 N HA 0.251 4.991 4.740 -0.000 0.000 0.261 495 N C -1.989 173.393 175.510 -0.214 0.000 1.195 495 N CA -0.795 52.222 53.050 -0.055 0.000 0.902 495 N CB 1.427 39.890 38.487 -0.040 0.000 1.627 495 N HN 0.640 nan 8.380 nan 0.000 0.491 496 H N -0.920 118.202 119.070 0.087 0.000 2.980 496 H HA 0.300 4.856 4.556 -0.000 0.000 0.367 496 H C -0.971 174.419 175.328 0.104 0.000 1.206 496 H CA -0.664 55.436 56.048 0.087 0.000 1.126 496 H CB 1.339 31.164 29.762 0.105 0.000 1.838 496 H HN 0.695 nan 8.280 nan 0.000 0.552 497 E N 0.965 121.280 120.200 0.193 0.000 2.558 497 E HA -0.072 4.278 4.350 -0.000 0.000 0.255 497 E C 0.173 176.904 176.600 0.219 0.000 0.968 497 E CA 0.710 57.184 56.400 0.122 0.000 0.939 497 E CB 0.094 29.848 29.700 0.089 0.000 0.921 497 E HN 0.716 nan 8.360 nan 0.000 0.477 498 H N 2.680 121.785 119.070 0.059 0.000 2.389 498 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 498 H C 0.189 175.539 175.328 0.037 0.000 1.081 498 H CA 0.856 56.931 56.048 0.045 0.000 1.345 498 H CB 0.390 30.170 29.762 0.029 0.000 1.393 498 H HN 0.496 nan 8.280 nan 0.000 0.520 499 D N 1.294 121.793 120.400 0.164 0.000 2.558 499 D HA 0.038 4.678 4.640 -0.000 0.000 0.221 499 D C -0.561 175.793 176.300 0.089 0.000 1.143 499 D CA -0.100 53.960 54.000 0.100 0.000 1.010 499 D CB -0.170 40.674 40.800 0.073 0.000 1.068 499 D HN 0.470 nan 8.370 nan 0.000 0.511 500 Q N 0.975 120.828 119.800 0.088 0.000 2.527 500 Q HA 0.455 4.795 4.340 -0.000 0.000 0.280 500 Q C -3.088 172.958 176.000 0.076 0.000 0.977 500 Q CA -1.817 54.039 55.803 0.090 0.000 0.837 500 Q CB 1.815 30.616 28.738 0.103 0.000 1.454 500 Q HN -0.049 nan 8.270 nan 0.000 0.387 501 P HA 0.047 nan 4.420 nan 0.000 0.266 501 P C -0.425 176.932 177.300 0.096 0.000 1.195 501 P CA 0.290 63.429 63.100 0.066 0.000 0.768 501 P CB 0.611 32.329 31.700 0.031 0.000 0.838 502 A N 3.473 126.324 122.820 0.051 0.000 2.546 502 A HA -0.002 4.318 4.320 -0.000 0.000 0.243 502 A C 1.521 179.087 177.584 -0.029 0.000 1.063 502 A CA -0.139 51.886 52.037 -0.020 0.000 0.757 502 A CB -0.523 18.422 19.000 -0.093 0.000 0.991 502 A HN 0.765 nan 8.150 nan 0.000 0.503 503 H N 2.375 121.317 119.070 -0.214 0.000 2.551 503 H HA 0.100 4.656 4.556 -0.000 0.000 0.266 503 H C -0.228 174.787 175.328 -0.522 0.000 0.977 503 H CA -0.067 55.727 56.048 -0.423 0.000 1.163 503 H CB -0.214 29.158 29.762 -0.650 0.000 1.381 503 H HN 0.366 nan 8.280 nan 0.000 0.581 504 L N 4.186 125.024 121.223 -0.642 0.000 2.328 504 L HA 0.151 4.491 4.340 -0.000 0.000 0.280 504 L C 0.619 177.385 176.870 -0.173 0.000 1.111 504 L CA 0.085 54.708 54.840 -0.362 0.000 0.909 504 L CB 0.102 42.032 42.059 -0.216 0.000 1.277 504 L HN 0.248 nan 8.230 nan 0.000 0.433 505 T N 1.435 115.883 114.554 -0.178 0.000 2.904 505 T HA 0.658 5.008 4.350 -0.000 0.000 0.290 505 T C 0.049 174.721 174.700 -0.047 0.000 1.018 505 T CA -0.656 61.380 62.100 -0.108 0.000 1.075 505 T CB 1.577 70.344 68.868 -0.168 0.000 0.986 505 T HN 0.311 nan 8.240 nan 0.000 0.523 506 L N 2.547 123.760 121.223 -0.017 0.000 2.346 506 L HA 0.469 4.809 4.340 -0.000 0.000 0.276 506 L C 1.358 178.216 176.870 -0.020 0.000 1.006 506 L CA -1.119 53.717 54.840 -0.007 0.000 0.817 506 L CB 2.000 44.070 42.059 0.018 0.000 1.272 506 L HN 0.762 nan 8.230 nan 0.000 0.421 507 K N 0.370 120.754 120.400 -0.027 0.000 2.155 507 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 507 K C -0.107 176.475 176.600 -0.029 0.000 1.052 507 K CA 0.934 57.194 56.287 -0.044 0.000 0.948 507 K CB 0.162 32.640 32.500 -0.037 0.000 0.728 507 K HN 0.488 nan 8.250 nan 0.000 0.448 508 D N 0.286 120.686 120.400 0.000 0.000 2.602 508 D HA 0.070 4.710 4.640 -0.000 0.000 0.245 508 D C -0.677 175.646 176.300 0.040 0.000 1.325 508 D CA -0.373 53.640 54.000 0.021 0.000 0.952 508 D CB 1.288 42.097 40.800 0.016 0.000 1.317 508 D HN -0.174 nan 8.370 nan 0.000 0.577 509 D N 1.341 121.778 120.400 0.062 0.000 2.392 509 D HA -0.072 4.568 4.640 -0.000 0.000 0.228 509 D C 1.522 177.864 176.300 0.070 0.000 1.003 509 D CA 0.690 54.733 54.000 0.070 0.000 0.917 509 D CB 0.223 41.075 40.800 0.086 0.000 0.890 509 D HN 0.395 nan 8.370 nan 0.000 0.532 510 S N -1.047 114.689 115.700 0.060 0.000 2.505 510 S HA -0.022 4.448 4.470 -0.000 0.000 0.216 510 S C 1.938 176.572 174.600 0.056 0.000 1.018 510 S CA 0.202 58.437 58.200 0.059 0.000 0.911 510 S CB -0.162 63.066 63.200 0.047 0.000 0.818 510 S HN 0.165 nan 8.310 nan 0.000 0.497 511 V N 1.997 121.941 119.914 0.051 0.000 2.427 511 V HA 0.072 4.192 4.120 -0.000 0.000 0.248 511 V C -0.494 175.640 176.094 0.066 0.000 1.051 511 V CA 1.370 63.700 62.300 0.049 0.000 1.048 511 V CB -1.554 30.292 31.823 0.039 0.000 0.666 511 V HN 0.333 nan 8.190 nan 0.000 0.456 512 P HA -0.093 nan 4.420 nan 0.000 0.218 512 P C 1.886 179.281 177.300 0.158 0.000 1.148 512 P CA 1.789 64.990 63.100 0.168 0.000 0.822 512 P CB -0.009 31.803 31.700 0.187 0.000 0.784 513 V N 0.227 120.205 119.914 0.106 0.000 2.492 513 V HA -0.047 4.073 4.120 -0.000 0.000 0.241 513 V C 2.429 178.496 176.094 -0.046 0.000 1.041 513 V CA 1.522 63.811 62.300 -0.018 0.000 1.057 513 V CB -1.157 30.708 31.823 0.070 0.000 0.711 513 V HN 0.041 nan 8.190 nan 0.000 0.468 514 N N 0.105 118.808 118.700 0.004 0.000 2.135 514 N HA -0.065 4.675 4.740 -0.000 0.000 0.186 514 N C 1.985 177.487 175.510 -0.013 0.000 1.027 514 N CA 1.234 54.281 53.050 -0.004 0.000 0.849 514 N CB -0.155 38.339 38.487 0.012 0.000 1.002 514 N HN 0.325 nan 8.380 nan 0.000 0.425 515 R N 0.735 121.242 120.500 0.013 0.000 2.051 515 R HA 0.203 4.543 4.340 -0.000 0.000 0.218 515 R C 1.793 178.132 176.300 0.066 0.000 1.188 515 R CA 0.494 56.615 56.100 0.034 0.000 0.992 515 R CB -0.407 29.936 30.300 0.072 0.000 0.883 515 R HN 0.324 nan 8.270 nan 0.000 0.444 516 N N 0.893 119.658 118.700 0.109 0.000 2.039 516 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 516 N C 1.778 177.315 175.510 0.046 0.000 1.044 516 N CA 0.999 54.156 53.050 0.178 0.000 0.847 516 N CB -0.141 38.434 38.487 0.147 0.000 1.030 516 N HN -0.017 nan 8.380 nan 0.000 0.422 517 L N 0.932 122.059 121.223 -0.161 0.000 2.141 517 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 517 L C 2.359 179.090 176.870 -0.231 0.000 1.094 517 L CA 1.434 56.046 54.840 -0.380 0.000 0.763 517 L CB -0.751 40.793 42.059 -0.859 0.000 0.908 517 L HN 0.019 nan 8.230 nan 0.000 0.437 518 S N -0.758 114.845 115.700 -0.162 0.000 2.335 518 S HA -0.117 4.353 4.470 -0.000 0.000 0.216 518 S C 1.907 176.418 174.600 -0.149 0.000 1.032 518 S CA 1.762 59.886 58.200 -0.126 0.000 1.000 518 S CB -0.257 62.888 63.200 -0.092 0.000 0.928 518 S HN 0.363 nan 8.310 nan 0.000 0.434 519 I N -0.068 120.378 120.570 -0.207 0.000 2.235 519 I HA 0.016 4.186 4.170 -0.000 0.000 0.241 519 I C 1.463 177.278 176.117 -0.503 0.000 1.085 519 I CA 1.283 62.329 61.300 -0.423 0.000 1.378 519 I CB -0.459 37.109 38.000 -0.721 0.000 1.076 519 I HN 0.376 nan 8.210 nan 0.000 0.415 520 Y N -0.587 119.665 120.300 -0.081 0.000 2.458 520 Y HA 0.244 4.794 4.550 -0.000 0.000 0.256 520 Y C 0.333 176.142 175.900 -0.151 0.000 1.159 520 Y CA -0.361 57.674 58.100 -0.108 0.000 1.261 520 Y CB -0.126 38.294 38.460 -0.066 0.000 1.119 520 Y HN 0.068 nan 8.280 nan 0.000 0.524 521 D N 0.744 121.128 120.400 -0.028 0.000 2.739 521 D HA -0.126 4.514 4.640 -0.000 0.000 0.240 521 D C 0.734 177.021 176.300 -0.022 0.000 1.114 521 D CA 1.046 55.010 54.000 -0.060 0.000 0.695 521 D CB -1.189 39.607 40.800 -0.007 0.000 1.078 521 D HN 0.647 nan 8.370 nan 0.000 0.434 522 G N -0.208 108.589 108.800 -0.005 0.000 2.296 522 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.263 522 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.263 522 G C -1.255 173.714 174.900 0.114 0.000 0.887 522 G CA -0.206 45.016 45.100 0.203 0.000 1.318 522 G HN 0.439 nan 8.290 nan 0.000 0.403 523 P HA -0.022 nan 4.420 nan 0.000 0.225 523 P C 1.843 178.795 177.300 -0.581 0.000 1.156 523 P CA 1.156 64.209 63.100 -0.077 0.000 0.787 523 P CB 0.255 32.013 31.700 0.096 0.000 0.802 524 E N 1.277 121.042 120.200 -0.725 0.000 2.333 524 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 524 E C 1.555 177.810 176.600 -0.575 0.000 1.007 524 E CA 1.006 56.670 56.400 -1.226 0.000 0.845 524 E CB -0.904 28.263 29.700 -0.888 0.000 0.766 524 E HN 0.525 nan 8.360 nan 0.000 0.507 525 Q N 1.221 120.853 119.800 -0.281 0.000 2.432 525 Q HA -0.000 4.340 4.340 -0.000 0.000 0.205 525 Q C 1.671 177.627 176.000 -0.074 0.000 0.945 525 Q CA 0.719 56.452 55.803 -0.117 0.000 0.924 525 Q CB -0.107 28.622 28.738 -0.017 0.000 1.016 525 Q HN 0.354 nan 8.270 nan 0.000 0.503 526 R N -0.345 120.090 120.500 -0.109 0.000 2.435 526 R HA 0.162 4.502 4.340 -0.000 0.000 0.221 526 R C 1.321 177.694 176.300 0.122 0.000 0.885 526 R CA 0.235 56.352 56.100 0.029 0.000 1.018 526 R CB -0.299 30.070 30.300 0.115 0.000 1.259 526 R HN 0.223 nan 8.270 nan 0.000 0.597 527 F N 0.941 120.991 119.950 0.166 0.000 2.710 527 F HA 0.292 4.819 4.527 -0.000 0.000 0.298 527 F C 0.834 176.731 175.800 0.161 0.000 1.137 527 F CA -1.944 56.167 58.000 0.186 0.000 1.444 527 F CB -0.805 38.335 39.000 0.234 0.000 1.111 527 F HN -0.034 nan 8.300 nan 0.000 0.580 528 C N 5.573 125.098 119.300 0.374 0.000 2.585 528 C HA 0.371 4.831 4.460 -0.000 0.000 0.406 528 C C -0.630 174.476 174.990 0.193 0.000 1.312 528 C CA -1.496 57.719 59.018 0.329 0.000 1.924 528 C CB 0.373 28.239 27.740 0.210 0.000 2.578 528 C HN 0.384 nan 8.230 nan 0.000 0.580 529 P HA 0.153 nan 4.420 nan 0.000 0.255 529 P C 0.277 177.617 177.300 0.068 0.000 1.248 529 P CA 0.659 63.871 63.100 0.186 0.000 0.807 529 P CB 0.231 32.117 31.700 0.310 0.000 1.150 530 A N -0.408 122.432 122.820 0.033 0.000 2.589 530 A HA 0.558 4.878 4.320 -0.000 0.000 0.283 530 A C 1.321 178.847 177.584 -0.096 0.000 1.187 530 A CA 0.227 52.252 52.037 -0.019 0.000 0.957 530 A CB -0.615 18.420 19.000 0.059 0.000 1.175 530 A HN 0.139 nan 8.150 nan 0.000 0.532 531 G N -0.505 108.223 108.800 -0.119 0.000 2.321 531 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.287 531 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.287 531 G C 0.884 175.684 174.900 -0.166 0.000 1.018 531 G CA 0.605 45.626 45.100 -0.131 0.000 0.855 531 G HN 0.695 nan 8.290 nan 0.000 0.507 532 V N -1.248 118.521 119.914 -0.242 0.000 2.379 532 V HA 0.053 4.173 4.120 -0.000 0.000 0.245 532 V C 1.319 177.106 176.094 -0.511 0.000 1.044 532 V CA 1.440 63.491 62.300 -0.415 0.000 1.036 532 V CB -0.299 31.155 31.823 -0.615 0.000 0.664 532 V HN 0.483 nan 8.190 nan 0.000 0.453 533 Y N 1.165 121.355 120.300 -0.183 0.000 2.326 533 Y HA 0.498 5.048 4.550 -0.000 0.000 0.337 533 Y C 0.396 176.097 175.900 -0.332 0.000 1.023 533 Y CA -0.691 57.236 58.100 -0.288 0.000 1.143 533 Y CB 0.642 38.891 38.460 -0.352 0.000 1.183 533 Y HN 0.340 nan 8.280 nan 0.000 0.485 534 E N 2.403 122.467 120.200 -0.226 0.000 2.314 534 E HA 0.461 4.811 4.350 -0.000 0.000 0.272 534 E C -1.946 174.476 176.600 -0.297 0.000 0.884 534 E CA -0.894 55.376 56.400 -0.218 0.000 0.753 534 E CB 1.556 31.204 29.700 -0.087 0.000 1.213 534 E HN 0.460 nan 8.360 nan 0.000 0.432 535 F N 2.132 122.090 119.950 0.014 0.000 2.350 535 F HA 0.286 4.813 4.527 -0.000 0.000 0.365 535 F C -0.252 175.631 175.800 0.139 0.000 1.122 535 F CA -0.883 57.129 58.000 0.019 0.000 1.139 535 F CB 1.506 40.416 39.000 -0.151 0.000 1.220 535 F HN 0.244 nan 8.300 nan 0.000 0.499 536 V N 6.175 126.315 119.914 0.377 0.000 2.465 536 V HA 0.261 4.381 4.120 -0.000 0.000 0.279 536 V C -1.996 174.330 176.094 0.387 0.000 1.045 536 V CA -2.133 60.357 62.300 0.316 0.000 0.938 536 V CB 1.440 33.360 31.823 0.163 0.000 0.986 536 V HN 0.458 nan 8.190 nan 0.000 0.467 537 P HA 0.052 nan 4.420 nan 0.000 0.266 537 P C -0.586 176.667 177.300 -0.078 0.000 1.195 537 P CA -0.303 62.744 63.100 -0.087 0.000 0.768 537 P CB 0.386 32.038 31.700 -0.081 0.000 0.838 538 L N 3.988 125.103 121.223 -0.180 0.000 2.367 538 L HA 0.059 4.399 4.340 -0.000 0.000 0.275 538 L C 1.327 178.154 176.870 -0.072 0.000 1.129 538 L CA 0.324 55.115 54.840 -0.083 0.000 0.839 538 L CB -0.269 41.739 42.059 -0.085 0.000 1.133 538 L HN 0.366 nan 8.230 nan 0.000 0.453 539 E N 2.039 122.219 120.200 -0.033 0.000 2.330 539 E HA -0.276 4.074 4.350 -0.000 0.000 0.239 539 E C 0.050 176.627 176.600 -0.038 0.000 1.097 539 E CA 2.046 58.430 56.400 -0.026 0.000 1.031 539 E CB -0.188 29.503 29.700 -0.015 0.000 0.885 539 E HN 0.516 nan 8.360 nan 0.000 0.479 540 Q N -2.588 117.185 119.800 -0.044 0.000 2.825 540 Q HA 0.508 4.848 4.340 -0.000 0.000 0.219 540 Q C -0.407 175.565 176.000 -0.047 0.000 0.942 540 Q CA 0.438 56.211 55.803 -0.050 0.000 1.147 540 Q CB 1.358 30.074 28.738 -0.037 0.000 1.723 540 Q HN 0.275 nan 8.270 nan 0.000 0.541 541 G N 2.218 110.982 108.800 -0.061 0.000 2.470 541 G HA2 0.235 4.195 3.960 -0.000 0.000 0.145 541 G HA3 0.235 4.195 3.960 -0.000 0.000 0.145 541 G C -1.532 173.319 174.900 -0.081 0.000 1.223 541 G CA -0.108 44.960 45.100 -0.053 0.000 1.058 541 G HN 0.522 nan 8.290 nan 0.000 0.469 542 D N -0.543 119.806 120.400 -0.085 0.000 2.614 542 D HA 0.692 5.332 4.640 -0.000 0.000 0.264 542 D C 0.656 176.870 176.300 -0.144 0.000 1.092 542 D CA 1.262 55.187 54.000 -0.124 0.000 1.071 542 D CB 1.662 42.417 40.800 -0.075 0.000 1.443 542 D HN 1.877 nan 8.370 nan 0.000 0.528 543 G N -0.766 107.910 108.800 -0.207 0.000 2.698 543 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.225 543 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.225 543 G C -0.939 173.761 174.900 -0.332 0.000 1.345 543 G CA -0.388 44.655 45.100 -0.096 0.000 0.871 543 G HN 0.297 nan 8.290 nan 0.000 0.540 544 F N -0.315 119.638 119.950 0.005 0.000 2.814 544 F HA 0.925 5.452 4.527 -0.000 0.000 0.353 544 F C 0.774 176.630 175.800 0.095 0.000 1.177 544 F CA -0.390 57.644 58.000 0.057 0.000 1.036 544 F CB 1.565 40.610 39.000 0.074 0.000 1.455 544 F HN 0.915 nan 8.300 nan 0.000 0.520 545 R N 0.267 121.010 120.500 0.405 0.000 2.739 545 R HA 0.772 5.112 4.340 -0.000 0.000 0.271 545 R C -2.208 174.312 176.300 0.367 0.000 1.010 545 R CA -1.012 55.266 56.100 0.296 0.000 0.897 545 R CB 1.958 32.361 30.300 0.170 0.000 1.236 545 R HN 0.553 nan 8.270 nan 0.000 0.466 546 L N 1.462 122.847 121.223 0.270 0.000 2.275 546 L HA 0.350 4.690 4.340 -0.000 0.000 0.288 546 L C -0.673 176.206 176.870 0.016 0.000 1.046 546 L CA 0.002 54.891 54.840 0.080 0.000 0.805 546 L CB 1.551 43.642 42.059 0.052 0.000 1.193 546 L HN 0.793 nan 8.230 nan 0.000 0.426 547 Q N 5.178 124.945 119.800 -0.055 0.000 2.333 547 Q HA 0.562 4.902 4.340 -0.000 0.000 0.265 547 Q C -1.563 174.392 176.000 -0.075 0.000 0.989 547 Q CA -0.395 55.383 55.803 -0.042 0.000 0.842 547 Q CB 1.273 29.991 28.738 -0.033 0.000 1.262 547 Q HN 0.755 nan 8.270 nan 0.000 0.451 548 I N 4.204 124.733 120.570 -0.069 0.000 2.354 548 I HA 0.285 4.455 4.170 -0.000 0.000 0.286 548 I C -0.528 175.480 176.117 -0.182 0.000 1.007 548 I CA -0.876 60.342 61.300 -0.137 0.000 1.167 548 I CB 1.323 39.276 38.000 -0.079 0.000 1.320 548 I HN 0.614 nan 8.210 nan 0.000 0.458 549 N N 6.354 124.912 118.700 -0.236 0.000 2.868 549 N HA 0.198 4.938 4.740 -0.000 0.000 0.252 549 N C 0.965 176.334 175.510 -0.234 0.000 1.130 549 N CA -0.098 52.827 53.050 -0.208 0.000 1.026 549 N CB 1.637 40.016 38.487 -0.180 0.000 1.335 549 N HN 0.711 nan 8.380 nan 0.000 0.516 550 A N 1.865 124.548 122.820 -0.230 0.000 2.070 550 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 550 A C 2.165 179.646 177.584 -0.173 0.000 1.159 550 A CA 0.988 52.875 52.037 -0.249 0.000 0.656 550 A CB -0.167 18.700 19.000 -0.222 0.000 0.800 550 A HN 0.591 nan 8.150 nan 0.000 0.453 551 Q N 0.479 120.199 119.800 -0.132 0.000 2.291 551 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 551 Q C 0.900 176.988 176.000 0.146 0.000 0.976 551 Q CA 1.987 57.796 55.803 0.010 0.000 0.875 551 Q CB -0.902 27.854 28.738 0.029 0.000 0.927 551 Q HN 0.830 nan 8.270 nan 0.000 0.450 552 N N -0.060 118.665 118.700 0.041 0.000 2.412 552 N HA 0.063 4.803 4.740 -0.000 0.000 0.184 552 N C 0.127 175.721 175.510 0.140 0.000 1.101 552 N CA -0.138 52.961 53.050 0.081 0.000 0.881 552 N CB 0.290 38.770 38.487 -0.012 0.000 0.969 552 N HN 0.217 nan 8.380 nan 0.000 0.459 553 C N 1.952 121.352 119.300 0.167 0.000 2.590 553 C HA 0.051 4.511 4.460 -0.000 0.000 0.411 553 C C 1.815 177.085 174.990 0.468 0.000 1.420 553 C CA -0.438 58.760 59.018 0.301 0.000 1.643 553 C CB -0.647 27.339 27.740 0.410 0.000 2.528 553 C HN 0.343 nan 8.230 nan 0.000 0.606 554 V N 4.291 124.399 119.914 0.324 0.000 3.249 554 V HA 0.343 4.463 4.120 -0.000 0.000 0.338 554 V C 0.883 177.101 176.094 0.207 0.000 1.363 554 V CA 0.552 62.952 62.300 0.166 0.000 1.205 554 V CB -1.823 30.073 31.823 0.122 0.000 1.164 554 V HN 1.108 nan 8.190 nan 0.000 0.458 555 H N -0.904 118.274 119.070 0.179 0.000 2.741 555 H HA -0.242 4.313 4.556 -0.000 0.000 0.305 555 H C 1.634 176.840 175.328 -0.203 0.000 1.169 555 H CA 0.469 56.530 56.048 0.022 0.000 1.144 555 H CB -1.614 28.137 29.762 -0.018 0.000 1.397 555 H HN 0.923 nan 8.280 nan 0.000 0.409 556 C N -0.761 118.541 119.300 0.003 0.000 2.495 556 C HA 0.080 4.540 4.460 -0.000 0.000 0.275 556 C C 1.646 176.519 174.990 -0.194 0.000 1.392 556 C CA 0.294 59.277 59.018 -0.058 0.000 1.766 556 C CB 0.350 28.101 27.740 0.019 0.000 1.933 556 C HN 0.682 nan 8.230 nan 0.000 0.519 557 K N -0.414 119.801 120.400 -0.308 0.000 3.553 557 K HA -0.171 4.149 4.320 -0.000 0.000 0.303 557 K C 0.823 177.219 176.600 -0.340 0.000 1.327 557 K CA 1.634 57.677 56.287 -0.406 0.000 0.983 557 K CB -3.009 29.233 32.500 -0.430 0.000 1.275 557 K HN 0.632 nan 8.250 nan 0.000 0.453 558 T N 0.618 115.039 114.554 -0.222 0.000 2.778 558 T HA -0.236 4.113 4.350 -0.000 0.000 0.269 558 T C 2.080 176.560 174.700 -0.366 0.000 1.050 558 T CA 1.899 63.837 62.100 -0.270 0.000 1.137 558 T CB -0.736 68.074 68.868 -0.097 0.000 0.860 558 T HN 0.672 nan 8.240 nan 0.000 0.468 559 C N 1.450 120.690 119.300 -0.101 0.000 2.440 559 C HA -0.011 4.449 4.460 -0.000 0.000 0.278 559 C C 2.398 177.310 174.990 -0.130 0.000 1.295 559 C CA 0.507 59.531 59.018 0.010 0.000 1.738 559 C CB -1.075 26.965 27.740 0.499 0.000 1.987 559 C HN 0.437 nan 8.230 nan 0.000 0.492 560 D N 0.983 121.307 120.400 -0.126 0.000 2.219 560 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 560 D C 1.985 178.103 176.300 -0.303 0.000 0.970 560 D CA 1.166 55.093 54.000 -0.122 0.000 0.851 560 D CB -0.138 40.644 40.800 -0.031 0.000 0.943 560 D HN 0.661 nan 8.370 nan 0.000 0.488 561 I N -0.150 120.094 120.570 -0.543 0.000 2.364 561 I HA -0.135 4.035 4.170 -0.000 0.000 0.241 561 I C 2.314 178.171 176.117 -0.433 0.000 1.082 561 I CA 0.497 61.445 61.300 -0.586 0.000 1.401 561 I CB -0.059 37.414 38.000 -0.878 0.000 1.126 561 I HN -0.181 nan 8.210 nan 0.000 0.429 562 K N 1.144 121.194 120.400 -0.583 0.000 2.296 562 K HA -0.094 4.226 4.320 -0.000 0.000 0.200 562 K C 0.366 176.680 176.600 -0.476 0.000 1.048 562 K CA 0.422 56.325 56.287 -0.641 0.000 0.966 562 K CB -0.451 31.440 32.500 -1.016 0.000 0.754 562 K HN 0.069 nan 8.250 nan 0.000 0.466 563 D N 1.180 121.380 120.400 -0.333 0.000 2.570 563 D HA -0.068 4.572 4.640 -0.000 0.000 0.243 563 D C -1.557 174.653 176.300 -0.151 0.000 1.171 563 D CA -1.291 52.656 54.000 -0.088 0.000 0.879 563 D CB 1.053 41.834 40.800 -0.031 0.000 1.143 563 D HN 0.102 nan 8.370 nan 0.000 0.511 564 P HA -0.119 nan 4.420 nan 0.000 0.218 564 P C 0.575 177.794 177.300 -0.135 0.000 1.148 564 P CA 0.759 63.682 63.100 -0.294 0.000 0.822 564 P CB 0.289 31.549 31.700 -0.735 0.000 0.784 565 S N -0.552 115.103 115.700 -0.074 0.000 2.575 565 S HA 0.044 4.514 4.470 -0.000 0.000 0.215 565 S C 0.600 175.187 174.600 -0.023 0.000 0.966 565 S CA -0.125 58.066 58.200 -0.015 0.000 0.911 565 S CB -0.611 62.601 63.200 0.020 0.000 0.780 565 S HN 0.113 nan 8.310 nan 0.000 0.514 566 Q N 1.415 121.188 119.800 -0.044 0.000 2.395 566 Q HA -0.235 4.105 4.340 -0.000 0.000 0.326 566 Q C 0.585 176.575 176.000 -0.017 0.000 1.302 566 Q CA 0.576 56.359 55.803 -0.033 0.000 0.949 566 Q CB -1.870 26.853 28.738 -0.025 0.000 1.204 566 Q HN 0.662 nan 8.270 nan 0.000 0.444 567 N N -0.350 118.340 118.700 -0.017 0.000 2.388 567 N HA 0.105 4.845 4.740 -0.000 0.000 0.176 567 N C 0.319 175.821 175.510 -0.014 0.000 1.062 567 N CA 0.208 53.250 53.050 -0.013 0.000 0.895 567 N CB 0.531 39.013 38.487 -0.007 0.000 1.018 567 N HN 0.355 nan 8.380 nan 0.000 0.456 568 I N 0.780 121.343 120.570 -0.012 0.000 2.440 568 I HA 0.207 4.377 4.170 -0.000 0.000 0.294 568 I C -0.462 175.673 176.117 0.030 0.000 0.995 568 I CA -0.694 60.609 61.300 0.005 0.000 1.306 568 I CB 1.185 39.196 38.000 0.018 0.000 1.407 568 I HN 0.080 nan 8.210 nan 0.000 0.501 569 N N 5.619 124.335 118.700 0.027 0.000 2.577 569 N HA 0.179 4.919 4.740 -0.000 0.000 0.275 569 N C -1.266 174.282 175.510 0.063 0.000 1.091 569 N CA -0.546 52.541 53.050 0.061 0.000 0.843 569 N CB 0.727 39.224 38.487 0.017 0.000 1.295 569 N HN 0.505 nan 8.380 nan 0.000 0.530 570 W N 4.633 125.925 121.300 -0.014 0.000 2.322 570 W HA 0.358 5.018 4.660 0.000 0.000 0.328 570 W C -0.553 175.910 176.519 -0.093 0.000 1.395 570 W CA 0.279 57.599 57.345 -0.043 0.000 1.267 570 W CB 0.419 29.877 29.460 -0.003 0.000 1.259 570 W HN 0.158 nan 8.180 nan 0.000 0.560 571 V N 7.084 126.532 119.914 -0.776 0.000 3.074 571 V HA 0.433 4.553 4.120 -0.000 0.000 0.314 571 V C -0.315 174.893 176.094 -1.477 0.000 1.117 571 V CA -1.092 60.693 62.300 -0.859 0.000 1.014 571 V CB 2.276 33.667 31.823 -0.720 0.000 1.057 571 V HN 0.318 nan 8.190 nan 0.000 0.438 572 V N 2.292 121.599 119.914 -1.012 0.000 2.583 572 V HA 0.604 4.724 4.120 -0.000 0.000 0.287 572 V C -2.161 173.702 176.094 -0.386 0.000 1.051 572 V CA -1.260 60.633 62.300 -0.678 0.000 1.010 572 V CB 0.768 32.495 31.823 -0.161 0.000 0.988 572 V HN 0.793 nan 8.190 nan 0.000 0.478 573 P HA 0.339 nan 4.420 nan 0.000 0.281 573 P C -0.306 176.990 177.300 -0.007 0.000 1.281 573 P CA -0.692 62.274 63.100 -0.223 0.000 0.811 573 P CB 0.808 32.198 31.700 -0.518 0.000 1.154 574 E N -0.439 119.796 120.200 0.059 0.000 2.568 574 E HA 0.104 4.453 4.350 -0.000 0.000 0.262 574 E C 0.861 177.498 176.600 0.062 0.000 0.961 574 E CA 0.248 56.688 56.400 0.067 0.000 0.945 574 E CB -0.011 29.725 29.700 0.060 0.000 0.924 574 E HN 0.495 nan 8.360 nan 0.000 0.467 575 G N 1.129 109.947 108.800 0.030 0.000 2.391 575 G HA2 0.264 4.224 3.960 -0.000 0.000 0.234 575 G HA3 0.264 4.224 3.960 -0.000 0.000 0.234 575 G C 0.991 175.884 174.900 -0.012 0.000 1.284 575 G CA 0.071 45.182 45.100 0.020 0.000 0.873 575 G HN 0.743 nan 8.290 nan 0.000 0.549 576 G N 0.677 109.480 108.800 0.005 0.000 2.258 576 G HA2 0.020 3.980 3.960 -0.000 0.000 0.233 576 G HA3 0.020 3.980 3.960 -0.000 0.000 0.233 576 G C 0.902 175.779 174.900 -0.039 0.000 1.006 576 G CA 0.466 45.540 45.100 -0.043 0.000 0.620 576 G HN 1.739 nan 8.290 nan 0.000 0.511 577 G N -0.010 108.795 108.800 0.007 0.000 2.503 577 G HA2 0.763 4.723 3.960 -0.000 0.000 0.257 577 G HA3 0.763 4.723 3.960 -0.000 0.000 0.257 577 G C 0.672 175.436 174.900 -0.227 0.000 1.214 577 G CA 1.196 46.198 45.100 -0.164 0.000 0.839 577 G HN 1.950 nan 8.290 nan 0.000 0.559 578 G N 1.282 109.622 108.800 -0.766 0.000 2.343 578 G HA2 0.178 4.138 3.960 -0.000 0.000 0.562 578 G HA3 0.178 4.138 3.960 -0.000 0.000 0.562 578 G C -3.245 171.362 174.900 -0.489 0.000 1.269 578 G CA -0.565 44.088 45.100 -0.745 0.000 1.011 578 G HN 0.720 nan 8.290 nan 0.000 0.498 579 P HA 0.427 nan 4.420 nan 0.000 0.269 579 P C -0.044 177.051 177.300 -0.341 0.000 1.217 579 P CA 0.854 63.568 63.100 -0.643 0.000 0.783 579 P CB 0.780 31.667 31.700 -1.356 0.000 0.898 580 A N 1.834 124.466 122.820 -0.315 0.000 3.204 580 A HA 0.345 4.665 4.320 -0.000 0.000 0.327 580 A C -0.793 176.783 177.584 -0.013 0.000 0.998 580 A CA -0.489 51.491 52.037 -0.096 0.000 0.891 580 A CB -0.812 18.140 19.000 -0.080 0.000 1.061 580 A HN 0.443 nan 8.150 nan 0.000 0.478 581 Y N 0.656 121.010 120.300 0.089 0.000 2.411 581 Y HA 0.233 4.783 4.550 -0.000 0.000 0.333 581 Y C 0.892 176.836 175.900 0.074 0.000 1.186 581 Y CA 0.091 58.228 58.100 0.063 0.000 1.381 581 Y CB 0.812 39.302 38.460 0.050 0.000 1.273 581 Y HN 0.642 nan 8.280 nan 0.000 0.546 582 N N 1.474 120.305 118.700 0.219 0.000 2.623 582 N HA 0.311 5.051 4.740 -0.000 0.000 0.256 582 N C -0.065 175.426 175.510 -0.032 0.000 1.045 582 N CA 0.313 53.453 53.050 0.150 0.000 0.863 582 N CB 0.805 39.401 38.487 0.181 0.000 1.182 582 N HN 0.831 nan 8.380 nan 0.000 0.523 583 G N 2.664 111.292 108.800 -0.286 0.000 2.182 583 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 583 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 583 G C 0.082 174.792 174.900 -0.317 0.000 1.042 583 G CA 0.187 44.818 45.100 -0.782 0.000 0.775 583 G HN 0.442 nan 8.290 nan 0.000 0.501 584 M N 0.000 119.493 119.600 -0.179 0.000 2.572 584 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 584 M CA 0.000 55.197 55.300 -0.172 0.000 0.988 584 M CB 0.000 32.413 32.600 -0.312 0.000 1.302 584 M HN 0.000 nan 8.290 nan 0.000 0.411