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 2fuq_1_B DATA FIRST_RESID 27 DATA SEQUENCE TKADVVWKDV DGVSMPIPPK THPRLYLREQ QVPDLKNRMN DPKLKKVWAD DATA SEQUENCE MIKMQEDWKP ADIPEVKDFR FYFNQKGLTV RVELMALNYL MTKDPKVGRE DATA SEQUENCE AITSIIDTLE TATFKPAGDI SRGIGLFMVT GAIVYDWCYD QLKPEEKTRF DATA SEQUENCE VKAFVRLAKM LECGYPPVKD KSIVGHASEW MIMRDLLSVG IAIYDEFPEM DATA SEQUENCE YNLAAGRFFK EHLVARNWFY PSHNYHQGMS YLNVRFTNDL FALWILDRMG DATA SEQUENCE AGNVFNPGQQ FILYDAIYKR RPDGQILAGG DVDYSRKKPK YYTMPALLAG DATA SEQUENCE SYYKDEYLNY EFLKDPNVEP HCKLFEFLWR DTQLGSRKPD DLPLSRYSGS DATA SEQUENCE PFGWMIARTG WGPESVIAEM KVNEYSFLNH QHQDAGAFQI YYKGPLAIDA DATA SEQUENCE GSYTGSSGGY NSPHNKNFFK RTIAHNSLLI YDPKETFSSS GYGGSDHTDF DATA SEQUENCE AANDGGQRLP GKGWIAPRDL KEMLAGDFRT GKILAQGFGP DNQTPDYTYL DATA SEQUENCE KGDITAAYSA KVKEVKRSFL FLNLKDAKVP AAMIVFDKVV ASNPDFKKFW DATA SEQUENCE LLHSIEQPEI KGNQITIKRT KNGDSGMLVN TALLPDAANS NITSIGGKGK DATA SEQUENCE DFWVFGTNYT NDPKPGTDEA LERGEWRVEI TPKKAAAEDY YLNVIQIADN DATA SEQUENCE TQQKLHEVKR IDGDKVVGVQ LADRIVTFSK TSETVDRPFG FSVVGKGTFK DATA SEQUENCE FVMTDLLPGT WQVLKDGKIL YPALSAKGDD GALYFEGTEG TYRFLR 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.679 174.700 -0.035 0.000 1.109 27 T CA 0.000 62.050 62.100 -0.083 0.000 1.349 27 T CB 0.000 68.843 68.868 -0.042 0.000 0.612 28 K N 1.425 121.814 120.400 -0.018 0.000 2.524 28 K HA 0.458 4.779 4.320 0.002 0.000 0.279 28 K C 0.814 177.442 176.600 0.047 0.000 0.993 28 K CA 0.116 56.412 56.287 0.015 0.000 1.030 28 K CB 0.087 32.592 32.500 0.008 0.000 0.891 28 K HN 0.969 nan 8.250 nan 0.000 0.488 29 A N 3.730 126.606 122.820 0.092 0.000 2.540 29 A HA -0.015 4.306 4.320 0.002 0.000 0.239 29 A C 0.145 177.803 177.584 0.124 0.000 1.061 29 A CA 0.510 52.640 52.037 0.156 0.000 0.758 29 A CB 0.048 19.224 19.000 0.293 0.000 0.991 29 A HN 0.925 nan 8.150 nan 0.000 0.502 30 D N 0.289 120.751 120.400 0.104 0.000 2.602 30 D HA 0.166 4.807 4.640 0.002 0.000 0.265 30 D C 0.020 176.348 176.300 0.046 0.000 1.454 30 D CA 0.437 54.478 54.000 0.068 0.000 0.795 30 D CB -1.108 39.710 40.800 0.030 0.000 1.140 30 D HN 0.524 nan 8.370 nan 0.000 0.486 31 V N -1.940 118.003 119.914 0.048 0.000 3.109 31 V HA 0.705 4.826 4.120 0.002 0.000 0.317 31 V C 0.398 176.494 176.094 0.002 0.000 1.074 31 V CA -0.924 61.342 62.300 -0.056 0.000 1.033 31 V CB 1.644 33.337 31.823 -0.217 0.000 1.111 31 V HN -0.114 nan 8.190 nan 0.000 0.458 32 V N 1.177 121.049 119.914 -0.070 0.000 2.649 32 V HA 0.305 4.426 4.120 0.002 0.000 0.292 32 V C -0.536 175.512 176.094 -0.076 0.000 1.055 32 V CA 0.002 62.310 62.300 0.014 0.000 1.023 32 V CB 0.937 32.755 31.823 -0.008 0.000 0.992 32 V HN 0.921 nan 8.190 nan 0.000 0.480 33 W N 3.742 125.006 121.300 -0.061 0.000 2.666 33 W HA 0.721 5.382 4.660 0.002 0.000 0.334 33 W C 0.041 176.523 176.519 -0.062 0.000 1.051 33 W CA -0.692 56.606 57.345 -0.078 0.000 1.224 33 W CB 1.251 30.663 29.460 -0.079 0.000 1.405 33 W HN 0.232 nan 8.180 nan 0.000 0.513 34 K N 1.826 122.305 120.400 0.132 0.000 2.498 34 K HA 0.237 4.558 4.320 0.002 0.000 0.254 34 K C -1.107 175.529 176.600 0.060 0.000 0.933 34 K CA -0.737 55.599 56.287 0.080 0.000 0.806 34 K CB 1.858 34.382 32.500 0.040 0.000 1.301 34 K HN 0.420 nan 8.250 nan 0.000 0.432 35 D N 1.114 121.543 120.400 0.048 0.000 2.455 35 D HA 0.101 4.742 4.640 0.002 0.000 0.241 35 D C -0.440 175.869 176.300 0.015 0.000 1.138 35 D CA 0.247 54.265 54.000 0.029 0.000 0.877 35 D CB 0.755 41.567 40.800 0.020 0.000 1.187 35 D HN 0.045 nan 8.370 nan 0.000 0.451 36 V N 3.599 123.517 119.914 0.008 0.000 2.376 36 V HA 0.104 4.225 4.120 0.002 0.000 0.287 36 V C -0.280 175.817 176.094 0.005 0.000 1.015 36 V CA -0.838 61.465 62.300 0.004 0.000 0.834 36 V CB 1.517 33.340 31.823 -0.000 0.000 1.001 36 V HN 0.604 nan 8.190 nan 0.000 0.428 37 D N 4.616 125.017 120.400 0.003 0.000 2.697 37 D HA -0.213 4.428 4.640 0.002 0.000 0.235 37 D C 1.350 177.650 176.300 -0.000 0.000 1.167 37 D CA 1.468 55.467 54.000 -0.001 0.000 0.656 37 D CB -0.773 40.025 40.800 -0.003 0.000 1.025 37 D HN 1.388 nan 8.370 nan 0.000 0.419 38 G N -1.859 106.942 108.800 0.001 0.000 2.212 38 G HA2 -0.342 3.619 3.960 0.002 0.000 0.266 38 G HA3 -0.342 3.619 3.960 0.002 0.000 0.266 38 G C 0.393 175.297 174.900 0.006 0.000 0.978 38 G CA 0.393 45.493 45.100 0.000 0.000 0.632 38 G HN 0.619 nan 8.290 nan 0.000 0.537 39 V N 1.275 121.198 119.914 0.014 0.000 2.357 39 V HA 0.670 4.791 4.120 0.002 0.000 0.284 39 V C 0.775 176.889 176.094 0.033 0.000 1.018 39 V CA -0.060 62.258 62.300 0.030 0.000 0.841 39 V CB 1.569 33.418 31.823 0.044 0.000 0.991 39 V HN 0.477 nan 8.190 nan 0.000 0.437 40 S N 6.418 122.152 115.700 0.057 0.000 2.533 40 S HA 0.605 5.076 4.470 0.002 0.000 0.282 40 S C -0.388 174.263 174.600 0.085 0.000 1.304 40 S CA -0.094 58.171 58.200 0.109 0.000 1.063 40 S CB -0.046 63.222 63.200 0.113 0.000 0.881 40 S HN 0.632 nan 8.310 nan 0.000 0.493 41 M N 6.220 125.810 119.600 -0.017 0.000 2.446 41 M HA 0.445 4.926 4.480 0.002 0.000 0.294 41 M C -2.574 173.355 176.300 -0.618 0.000 1.158 41 M CA -2.070 52.918 55.300 -0.519 0.000 0.899 41 M CB 2.785 35.097 32.600 -0.479 0.000 1.687 41 M HN 0.437 nan 8.290 nan 0.000 0.455 42 P HA 0.341 nan 4.420 nan 0.000 0.279 42 P C -1.137 175.781 177.300 -0.636 0.000 1.239 42 P CA -0.114 62.192 63.100 -1.324 0.000 0.789 42 P CB 0.685 31.502 31.700 -1.471 0.000 0.933 43 I N 4.497 124.732 120.570 -0.558 0.000 2.315 43 I HA 0.238 4.409 4.170 0.002 0.000 0.291 43 I C -2.022 173.729 176.117 -0.609 0.000 1.006 43 I CA -2.746 58.257 61.300 -0.494 0.000 1.265 43 I CB 1.094 38.934 38.000 -0.268 0.000 1.387 43 I HN 0.108 nan 8.210 nan 0.000 0.475 44 P HA 0.029 nan 4.420 nan 0.000 0.264 44 P C -2.330 174.684 177.300 -0.476 0.000 1.183 44 P CA -0.625 62.003 63.100 -0.787 0.000 0.763 44 P CB -0.285 30.714 31.700 -1.168 0.000 0.807 45 P HA 0.067 nan 4.420 nan 0.000 0.272 45 P C -0.171 176.999 177.300 -0.218 0.000 1.230 45 P CA -0.061 62.906 63.100 -0.222 0.000 0.788 45 P CB 0.702 32.298 31.700 -0.175 0.000 0.949 46 K N 1.441 121.753 120.400 -0.146 0.000 2.751 46 K HA 0.240 4.561 4.320 0.002 0.000 0.252 46 K C -0.418 176.094 176.600 -0.147 0.000 1.277 46 K CA 0.364 56.577 56.287 -0.122 0.000 1.226 46 K CB -0.588 31.881 32.500 -0.051 0.000 1.658 46 K HN 0.499 nan 8.250 nan 0.000 0.303 47 T N -0.096 114.295 114.554 -0.272 0.000 2.886 47 T HA 0.270 4.621 4.350 0.002 0.000 0.330 47 T C -1.528 172.914 174.700 -0.430 0.000 1.488 47 T CA -0.791 61.178 62.100 -0.219 0.000 1.054 47 T CB 1.266 70.066 68.868 -0.114 0.000 1.348 47 T HN 0.365 nan 8.240 nan 0.000 0.489 48 H N 1.358 120.379 119.070 -0.081 0.000 2.600 48 H HA 0.556 5.113 4.556 0.002 0.000 0.357 48 H C -2.327 173.018 175.328 0.029 0.000 1.106 48 H CA -1.408 54.626 56.048 -0.024 0.000 1.193 48 H CB 1.487 31.225 29.762 -0.040 0.000 1.594 48 H HN 0.301 nan 8.280 nan 0.000 0.526 49 P HA 0.179 nan 4.420 nan 0.000 0.278 49 P C -0.199 177.140 177.300 0.066 0.000 1.238 49 P CA -0.609 62.594 63.100 0.170 0.000 0.794 49 P CB 1.670 33.390 31.700 0.033 0.000 0.955 50 R N 0.337 120.887 120.500 0.084 0.000 2.539 50 R HA 0.318 4.659 4.340 0.002 0.000 0.342 50 R C -0.145 176.204 176.300 0.082 0.000 0.941 50 R CA -0.451 55.657 56.100 0.013 0.000 1.146 50 R CB -0.189 30.024 30.300 -0.145 0.000 1.541 50 R HN 0.220 nan 8.270 nan 0.000 0.525 51 L N 2.061 123.382 121.223 0.163 0.000 2.255 51 L HA 0.310 4.651 4.340 0.002 0.000 0.289 51 L C -0.348 176.663 176.870 0.235 0.000 1.046 51 L CA 0.100 54.946 54.840 0.011 0.000 0.816 51 L CB -0.271 41.654 42.059 -0.222 0.000 1.197 51 L HN 0.419 nan 8.230 nan 0.000 0.427 52 Y N 2.996 123.642 120.300 0.577 0.000 4.545 52 Y HA -0.337 4.214 4.550 0.002 0.000 0.306 52 Y C -0.046 176.253 175.900 0.664 0.000 1.060 52 Y CA 0.687 59.267 58.100 0.800 0.000 1.834 52 Y CB -1.381 37.583 38.460 0.839 0.000 1.008 52 Y HN 0.522 nan 8.280 nan 0.000 0.436 53 L N -2.419 119.118 121.223 0.524 0.000 2.838 53 L HA 0.813 5.154 4.340 0.002 0.000 0.266 53 L C -0.604 176.356 176.870 0.149 0.000 1.040 53 L CA -2.077 52.939 54.840 0.294 0.000 0.906 53 L CB 1.289 43.457 42.059 0.181 0.000 1.501 53 L HN 0.050 nan 8.230 nan 0.000 0.407 54 R N -0.573 119.975 120.500 0.079 0.000 3.029 54 R HA 0.482 4.823 4.340 0.002 0.000 0.239 54 R C 0.364 176.656 176.300 -0.013 0.000 1.351 54 R CA -0.790 55.324 56.100 0.022 0.000 1.052 54 R CB 1.153 31.461 30.300 0.014 0.000 1.354 54 R HN 0.810 nan 8.270 nan 0.000 0.499 55 E N 0.917 121.103 120.200 -0.024 0.000 2.160 55 E HA -0.225 4.125 4.350 0.002 0.000 0.195 55 E C 1.357 177.937 176.600 -0.033 0.000 0.991 55 E CA 1.775 58.153 56.400 -0.036 0.000 0.810 55 E CB 0.134 29.816 29.700 -0.030 0.000 0.742 55 E HN 0.378 nan 8.360 nan 0.000 0.466 56 Q N -0.422 119.367 119.800 -0.020 0.000 2.234 56 Q HA -0.136 4.205 4.340 0.002 0.000 0.206 56 Q C 1.592 177.582 176.000 -0.017 0.000 0.980 56 Q CA 1.559 57.352 55.803 -0.017 0.000 0.869 56 Q CB 0.022 28.755 28.738 -0.009 0.000 0.912 56 Q HN 0.305 nan 8.270 nan 0.000 0.436 57 Q N -1.577 118.216 119.800 -0.011 0.000 2.319 57 Q HA 0.115 4.456 4.340 0.002 0.000 0.209 57 Q C 1.656 177.629 176.000 -0.046 0.000 0.884 57 Q CA 0.065 55.862 55.803 -0.010 0.000 0.938 57 Q CB 0.558 29.318 28.738 0.037 0.000 1.098 57 Q HN 0.120 nan 8.270 nan 0.000 0.517 58 V N 1.577 121.451 119.914 -0.067 0.000 2.295 58 V HA -0.181 3.940 4.120 0.002 0.000 0.246 58 V C -0.940 175.100 176.094 -0.091 0.000 1.049 58 V CA 1.951 64.189 62.300 -0.103 0.000 1.024 58 V CB -1.171 30.579 31.823 -0.122 0.000 0.648 58 V HN 0.255 nan 8.190 nan 0.000 0.447 59 P HA -0.138 nan 4.420 nan 0.000 0.219 59 P C 1.116 178.375 177.300 -0.068 0.000 1.146 59 P CA 1.429 64.489 63.100 -0.068 0.000 0.808 59 P CB -0.041 31.626 31.700 -0.055 0.000 0.779 60 D N -1.452 118.908 120.400 -0.067 0.000 2.371 60 D HA -0.043 4.598 4.640 0.002 0.000 0.221 60 D C 1.682 177.924 176.300 -0.098 0.000 0.986 60 D CA 0.395 54.351 54.000 -0.074 0.000 0.899 60 D CB -0.599 40.163 40.800 -0.063 0.000 0.902 60 D HN 0.055 nan 8.370 nan 0.000 0.530 61 L N -0.200 120.968 121.223 -0.091 0.000 2.083 61 L HA -0.163 4.178 4.340 0.002 0.000 0.209 61 L C 2.138 178.972 176.870 -0.060 0.000 1.083 61 L CA 0.995 55.788 54.840 -0.078 0.000 0.752 61 L CB -0.192 41.839 42.059 -0.046 0.000 0.899 61 L HN -0.060 nan 8.230 nan 0.000 0.433 62 K N 0.353 120.710 120.400 -0.072 0.000 2.057 62 K HA -0.136 4.185 4.320 0.002 0.000 0.207 62 K C 1.720 178.273 176.600 -0.079 0.000 1.049 62 K CA 1.564 57.804 56.287 -0.077 0.000 0.931 62 K CB -0.533 31.922 32.500 -0.075 0.000 0.714 62 K HN 0.303 nan 8.250 nan 0.000 0.440 63 N N 0.171 118.822 118.700 -0.082 0.000 2.166 63 N HA -0.114 4.627 4.740 0.002 0.000 0.186 63 N C 1.665 177.113 175.510 -0.103 0.000 1.019 63 N CA 1.087 54.088 53.050 -0.082 0.000 0.856 63 N CB -0.035 38.406 38.487 -0.077 0.000 0.993 63 N HN 0.116 nan 8.380 nan 0.000 0.426 64 R N -0.087 120.318 120.500 -0.158 0.000 2.075 64 R HA -0.024 4.317 4.340 0.002 0.000 0.232 64 R C 1.977 178.193 176.300 -0.140 0.000 1.126 64 R CA 1.080 57.017 56.100 -0.272 0.000 0.963 64 R CB -0.243 29.705 30.300 -0.586 0.000 0.858 64 R HN 0.220 nan 8.270 nan 0.000 0.435 65 M N 1.129 120.728 119.600 -0.002 0.000 2.213 65 M HA -0.133 4.348 4.480 0.002 0.000 0.263 65 M C 0.949 177.223 176.300 -0.042 0.000 1.062 65 M CA 1.786 57.103 55.300 0.028 0.000 1.105 65 M CB -0.182 32.336 32.600 -0.138 0.000 1.385 65 M HN 0.111 nan 8.290 nan 0.000 0.417 66 N N -0.471 118.197 118.700 -0.054 0.000 2.398 66 N HA -0.057 4.684 4.740 0.002 0.000 0.188 66 N C -0.190 175.304 175.510 -0.026 0.000 1.122 66 N CA -0.128 52.895 53.050 -0.044 0.000 0.866 66 N CB 0.051 38.508 38.487 -0.050 0.000 0.970 66 N HN 0.315 nan 8.380 nan 0.000 0.462 67 D N 1.303 121.686 120.400 -0.027 0.000 2.339 67 D HA 0.064 4.705 4.640 0.002 0.000 0.256 67 D C -1.662 174.647 176.300 0.015 0.000 1.214 67 D CA -2.096 51.892 54.000 -0.020 0.000 0.877 67 D CB 1.506 42.275 40.800 -0.053 0.000 1.111 67 D HN -0.004 nan 8.370 nan 0.000 0.478 68 P HA -0.177 nan 4.420 nan 0.000 0.216 68 P C 0.978 178.306 177.300 0.047 0.000 1.157 68 P CA 1.665 64.783 63.100 0.030 0.000 0.880 68 P CB 0.333 32.044 31.700 0.017 0.000 0.791 69 K N -0.833 119.591 120.400 0.040 0.000 2.103 69 K HA -0.078 4.243 4.320 0.002 0.000 0.207 69 K C 1.946 178.599 176.600 0.089 0.000 1.048 69 K CA 1.142 57.462 56.287 0.055 0.000 0.930 69 K CB -0.591 31.938 32.500 0.048 0.000 0.716 69 K HN 0.162 nan 8.250 nan 0.000 0.444 70 L N 0.236 121.514 121.223 0.091 0.000 2.416 70 L HA 0.043 4.384 4.340 0.002 0.000 0.216 70 L C 2.298 179.372 176.870 0.340 0.000 1.098 70 L CA 0.289 55.235 54.840 0.178 0.000 0.840 70 L CB -0.168 41.890 42.059 -0.003 0.000 0.981 70 L HN 0.042 nan 8.230 nan 0.000 0.462 71 K N 1.365 121.903 120.400 0.231 0.000 2.097 71 K HA -0.188 4.133 4.320 0.002 0.000 0.205 71 K C 2.033 178.790 176.600 0.263 0.000 1.050 71 K CA 1.271 57.708 56.287 0.251 0.000 0.938 71 K CB 0.079 32.665 32.500 0.142 0.000 0.718 71 K HN 0.201 nan 8.250 nan 0.000 0.442 72 K N 0.748 121.252 120.400 0.173 0.000 2.026 72 K HA -0.119 4.202 4.320 0.002 0.000 0.208 72 K C 2.025 178.692 176.600 0.112 0.000 1.048 72 K CA 1.370 57.728 56.287 0.118 0.000 0.929 72 K CB -0.239 32.305 32.500 0.073 0.000 0.713 72 K HN 0.028 nan 8.250 nan 0.000 0.439 73 V N 0.262 120.269 119.914 0.155 0.000 2.343 73 V HA -0.212 3.909 4.120 0.002 0.000 0.247 73 V C 1.814 177.965 176.094 0.095 0.000 1.051 73 V CA 2.072 64.448 62.300 0.127 0.000 1.036 73 V CB -0.556 31.369 31.823 0.170 0.000 0.654 73 V HN 0.631 nan 8.190 nan 0.000 0.451 74 W N 0.980 122.252 121.300 -0.047 0.000 2.338 74 W HA -0.132 4.529 4.660 0.002 0.000 0.304 74 W C 2.413 178.849 176.519 -0.138 0.000 1.212 74 W CA 2.694 59.909 57.345 -0.217 0.000 1.264 74 W CB -0.531 28.739 29.460 -0.317 0.000 1.142 74 W HN 0.333 nan 8.180 nan 0.000 0.512 75 A N 0.025 122.846 122.820 0.002 0.000 1.898 75 A HA -0.212 4.109 4.320 0.002 0.000 0.216 75 A C 1.726 179.186 177.584 -0.207 0.000 1.181 75 A CA 2.056 54.004 52.037 -0.148 0.000 0.620 75 A CB -1.041 17.968 19.000 0.015 0.000 0.819 75 A HN 0.271 nan 8.150 nan 0.000 0.442 76 D N -0.207 120.116 120.400 -0.128 0.000 2.133 76 D HA -0.195 4.446 4.640 0.002 0.000 0.195 76 D C 1.976 178.155 176.300 -0.203 0.000 0.997 76 D CA 1.629 55.550 54.000 -0.133 0.000 0.840 76 D CB -0.351 40.403 40.800 -0.076 0.000 0.947 76 D HN 0.504 nan 8.370 nan 0.000 0.452 77 M N -0.246 119.192 119.600 -0.271 0.000 2.175 77 M HA -0.099 4.382 4.480 0.002 0.000 0.264 77 M C 1.986 178.041 176.300 -0.409 0.000 1.063 77 M CA 0.632 55.736 55.300 -0.327 0.000 1.119 77 M CB 0.036 32.415 32.600 -0.368 0.000 1.377 77 M HN 0.009 nan 8.290 nan 0.000 0.415 78 I N 0.640 120.864 120.570 -0.577 0.000 2.208 78 I HA -0.303 3.868 4.170 0.002 0.000 0.245 78 I C 2.321 178.248 176.117 -0.317 0.000 1.097 78 I CA 1.686 62.669 61.300 -0.529 0.000 1.363 78 I CB -1.143 36.464 38.000 -0.655 0.000 1.051 78 I HN 0.353 nan 8.210 nan 0.000 0.413 79 K N 0.586 120.827 120.400 -0.266 0.000 2.097 79 K HA -0.109 4.212 4.320 0.002 0.000 0.205 79 K C 2.179 178.659 176.600 -0.200 0.000 1.050 79 K CA 1.105 57.272 56.287 -0.201 0.000 0.938 79 K CB -0.033 32.364 32.500 -0.171 0.000 0.718 79 K HN 0.158 nan 8.250 nan 0.000 0.442 80 M N 0.657 120.131 119.600 -0.210 0.000 2.446 80 M HA -0.177 4.304 4.480 0.002 0.000 0.263 80 M C 1.803 177.994 176.300 -0.182 0.000 1.066 80 M CA 1.346 56.526 55.300 -0.201 0.000 1.087 80 M CB 0.009 32.502 32.600 -0.178 0.000 1.406 80 M HN 0.183 nan 8.290 nan 0.000 0.459 81 Q N 0.277 119.971 119.800 -0.177 0.000 2.226 81 Q HA -0.117 4.224 4.340 0.002 0.000 0.204 81 Q C 0.655 176.586 176.000 -0.114 0.000 0.975 81 Q CA 0.652 56.373 55.803 -0.138 0.000 0.866 81 Q CB -0.142 28.508 28.738 -0.147 0.000 0.915 81 Q HN 0.522 nan 8.270 nan 0.000 0.440 82 E N 1.828 121.947 120.200 -0.135 0.000 2.415 82 E HA -0.055 4.295 4.350 0.002 0.000 0.263 82 E C -0.733 175.796 176.600 -0.119 0.000 0.995 82 E CA -0.547 55.783 56.400 -0.117 0.000 0.915 82 E CB 0.574 30.196 29.700 -0.131 0.000 0.951 82 E HN 0.040 nan 8.360 nan 0.000 0.449 83 D N 3.253 123.619 120.400 -0.056 0.000 2.378 83 D HA -0.052 4.589 4.640 0.002 0.000 0.238 83 D C -0.383 175.917 176.300 -0.000 0.000 1.180 83 D CA 0.267 54.270 54.000 0.005 0.000 0.895 83 D CB 0.294 41.125 40.800 0.052 0.000 1.192 83 D HN 0.375 nan 8.370 nan 0.000 0.438 84 W N 1.025 122.306 121.300 -0.031 0.000 2.231 84 W HA -0.018 4.643 4.660 0.001 0.000 0.341 84 W C 1.172 177.686 176.519 -0.008 0.000 1.298 84 W CA 0.110 57.447 57.345 -0.013 0.000 1.266 84 W CB 0.392 29.873 29.460 0.036 0.000 1.172 84 W HN -0.082 nan 8.180 nan 0.000 0.568 85 K N 5.097 125.656 120.400 0.265 0.000 2.383 85 K HA 0.017 4.338 4.320 0.002 0.000 0.286 85 K C -1.604 175.108 176.600 0.186 0.000 1.051 85 K CA -1.108 55.280 56.287 0.168 0.000 0.974 85 K CB 0.685 33.250 32.500 0.108 0.000 0.968 85 K HN 0.125 nan 8.250 nan 0.000 0.475 86 P HA -0.252 nan 4.420 nan 0.000 0.217 86 P C 0.925 178.239 177.300 0.023 0.000 1.151 86 P CA 1.346 64.477 63.100 0.050 0.000 0.849 86 P CB 0.220 31.934 31.700 0.022 0.000 0.787 87 A N -0.748 122.094 122.820 0.037 0.000 2.014 87 A HA -0.146 4.175 4.320 0.002 0.000 0.218 87 A C 1.605 179.211 177.584 0.037 0.000 1.163 87 A CA 1.771 53.821 52.037 0.021 0.000 0.652 87 A CB -1.088 17.924 19.000 0.021 0.000 0.808 87 A HN 0.114 nan 8.150 nan 0.000 0.449 88 D N -0.516 119.949 120.400 0.107 0.000 2.349 88 D HA 0.157 4.798 4.640 0.002 0.000 0.215 88 D C 0.258 176.635 176.300 0.129 0.000 1.016 88 D CA 0.059 54.168 54.000 0.181 0.000 0.870 88 D CB -0.048 40.934 40.800 0.303 0.000 0.917 88 D HN 0.442 nan 8.370 nan 0.000 0.524 89 I N 3.437 123.995 120.570 -0.021 0.000 2.587 89 I HA 0.075 4.246 4.170 0.002 0.000 0.284 89 I C -1.728 174.174 176.117 -0.360 0.000 1.134 89 I CA -1.462 59.621 61.300 -0.361 0.000 1.410 89 I CB 0.266 38.067 38.000 -0.331 0.000 1.392 89 I HN -0.130 nan 8.210 nan 0.000 0.545 90 P HA 0.079 nan 4.420 nan 0.000 0.274 90 P C 0.266 177.340 177.300 -0.378 0.000 1.237 90 P CA -0.270 62.621 63.100 -0.349 0.000 0.793 90 P CB 1.195 32.693 31.700 -0.336 0.000 0.977 91 E N 1.240 121.287 120.200 -0.254 0.000 2.077 91 E HA -0.098 4.253 4.350 0.002 0.000 0.193 91 E C 0.352 176.798 176.600 -0.256 0.000 0.989 91 E CA 0.854 57.119 56.400 -0.225 0.000 0.800 91 E CB -0.375 29.236 29.700 -0.149 0.000 0.746 91 E HN 0.210 nan 8.360 nan 0.000 0.452 92 V N 1.606 121.372 119.914 -0.247 0.000 2.364 92 V HA 0.220 4.341 4.120 0.002 0.000 0.272 92 V C -0.667 175.219 176.094 -0.347 0.000 1.036 92 V CA -0.539 61.623 62.300 -0.231 0.000 0.880 92 V CB 0.925 32.666 31.823 -0.137 0.000 0.991 92 V HN 0.060 nan 8.190 nan 0.000 0.460 93 K N 5.522 125.683 120.400 -0.398 0.000 2.111 93 K HA 0.210 4.531 4.320 0.002 0.000 0.249 93 K C -0.139 176.399 176.600 -0.104 0.000 1.157 93 K CA -0.249 55.703 56.287 -0.557 0.000 1.048 93 K CB -0.010 32.070 32.500 -0.701 0.000 1.498 93 K HN 0.751 nan 8.250 nan 0.000 0.344 94 D N 0.749 121.091 120.400 -0.096 0.000 2.352 94 D HA -0.096 4.545 4.640 0.002 0.000 0.238 94 D C 1.062 177.429 176.300 0.112 0.000 1.286 94 D CA -0.287 53.703 54.000 -0.016 0.000 0.923 94 D CB 0.489 41.192 40.800 -0.161 0.000 1.146 94 D HN 0.329 nan 8.370 nan 0.000 0.471 95 F N 0.122 120.069 119.950 -0.006 0.000 2.234 95 F HA 0.031 4.559 4.527 0.002 0.000 0.299 95 F C 1.950 177.600 175.800 -0.250 0.000 1.087 95 F CA 0.797 58.672 58.000 -0.208 0.000 1.340 95 F CB -0.264 38.472 39.000 -0.440 0.000 1.031 95 F HN 0.138 nan 8.300 nan 0.000 0.500 96 R N -0.124 119.819 120.500 -0.928 0.000 2.092 96 R HA -0.128 4.213 4.340 0.002 0.000 0.231 96 R C 2.154 178.385 176.300 -0.116 0.000 1.119 96 R CA 1.675 57.441 56.100 -0.556 0.000 0.970 96 R CB -1.026 28.925 30.300 -0.582 0.000 0.864 96 R HN 0.430 nan 8.270 nan 0.000 0.440 97 F N 0.983 120.791 119.950 -0.236 0.000 2.065 97 F HA -0.288 4.240 4.527 0.001 0.000 0.298 97 F C 1.790 177.524 175.800 -0.110 0.000 1.112 97 F CA 1.540 59.407 58.000 -0.222 0.000 1.212 97 F CB -0.539 38.152 39.000 -0.515 0.000 0.975 97 F HN -0.084 nan 8.300 nan 0.000 0.476 98 Y N -1.313 118.983 120.300 -0.006 0.000 2.242 98 Y HA -0.207 4.344 4.550 0.002 0.000 0.291 98 Y C 2.326 178.272 175.900 0.078 0.000 1.137 98 Y CA 1.199 59.287 58.100 -0.020 0.000 1.181 98 Y CB -0.659 37.858 38.460 0.095 0.000 0.989 98 Y HN 0.041 nan 8.280 nan 0.000 0.527 99 F N -0.032 119.878 119.950 -0.067 0.000 2.293 99 F HA -0.123 4.405 4.527 0.001 0.000 0.300 99 F C 1.409 177.177 175.800 -0.054 0.000 1.086 99 F CA 0.633 58.472 58.000 -0.268 0.000 1.375 99 F CB -1.012 37.779 39.000 -0.348 0.000 1.045 99 F HN 0.028 nan 8.300 nan 0.000 0.516 100 N N 1.484 120.266 118.700 0.137 0.000 3.193 100 N HA -0.075 4.666 4.740 0.002 0.000 0.312 100 N C 0.017 175.515 175.510 -0.019 0.000 1.261 100 N CA 0.066 53.149 53.050 0.055 0.000 1.208 100 N CB -0.643 37.894 38.487 0.082 0.000 1.471 100 N HN 0.281 nan 8.380 nan 0.000 0.548 101 Q N 1.691 121.502 119.800 0.019 0.000 2.274 101 Q HA 0.068 4.409 4.340 0.002 0.000 0.280 101 Q C -0.728 175.227 176.000 -0.076 0.000 1.047 101 Q CA 0.513 56.323 55.803 0.012 0.000 0.907 101 Q CB 0.457 29.243 28.738 0.080 0.000 1.171 101 Q HN 0.307 nan 8.270 nan 0.000 0.381 102 K N 2.092 122.448 120.400 -0.075 0.000 2.482 102 K HA 0.710 5.031 4.320 0.002 0.000 0.257 102 K C -0.276 176.311 176.600 -0.022 0.000 0.969 102 K CA -0.369 55.832 56.287 -0.143 0.000 0.842 102 K CB 1.939 34.195 32.500 -0.407 0.000 1.359 102 K HN 0.904 nan 8.250 nan 0.000 0.441 103 G N 0.803 109.576 108.800 -0.045 0.000 2.499 103 G HA2 -0.291 3.670 3.960 0.002 0.000 0.232 103 G HA3 -0.291 3.670 3.960 0.002 0.000 0.232 103 G C 0.385 175.297 174.900 0.021 0.000 1.251 103 G CA 0.126 45.231 45.100 0.008 0.000 0.917 103 G HN 0.525 nan 8.290 nan 0.000 0.580 104 L N 1.301 122.556 121.223 0.053 0.000 2.013 104 L HA -0.040 4.301 4.340 0.002 0.000 0.212 104 L C 3.393 180.298 176.870 0.057 0.000 1.073 104 L CA 4.192 59.064 54.840 0.054 0.000 0.753 104 L CB -1.131 40.973 42.059 0.076 0.000 0.890 104 L HN 1.328 nan 8.230 nan 0.000 0.432 105 T N -4.315 110.297 114.554 0.098 0.000 2.788 105 T HA -0.153 4.198 4.350 0.002 0.000 0.268 105 T C 1.849 176.567 174.700 0.030 0.000 1.044 105 T CA 1.475 63.628 62.100 0.088 0.000 1.139 105 T CB -1.131 67.843 68.868 0.177 0.000 0.867 105 T HN 0.177 nan 8.240 nan 0.000 0.454 106 V N 2.113 122.033 119.914 0.010 0.000 2.261 106 V HA -0.162 3.959 4.120 0.002 0.000 0.246 106 V C 3.047 179.112 176.094 -0.048 0.000 1.047 106 V CA 1.932 64.208 62.300 -0.041 0.000 1.015 106 V CB -0.706 31.072 31.823 -0.076 0.000 0.642 106 V HN 0.461 nan 8.190 nan 0.000 0.446 107 R N 0.435 120.913 120.500 -0.037 0.000 2.096 107 R HA -0.188 4.153 4.340 0.002 0.000 0.240 107 R C 2.326 178.625 176.300 -0.002 0.000 1.139 107 R CA 2.069 58.151 56.100 -0.030 0.000 0.952 107 R CB -1.008 29.280 30.300 -0.020 0.000 0.854 107 R HN 0.627 nan 8.270 nan 0.000 0.436 108 V N -0.844 119.075 119.914 0.010 0.000 2.626 108 V HA -0.142 3.979 4.120 0.002 0.000 0.252 108 V C 1.671 177.782 176.094 0.030 0.000 1.067 108 V CA 1.607 63.922 62.300 0.025 0.000 1.081 108 V CB -0.429 31.409 31.823 0.024 0.000 0.686 108 V HN 0.234 nan 8.190 nan 0.000 0.468 109 E N 0.663 120.863 120.200 -0.001 0.000 2.106 109 E HA -0.069 4.282 4.350 0.002 0.000 0.192 109 E C 2.224 178.871 176.600 0.078 0.000 0.984 109 E CA 1.593 57.983 56.400 -0.017 0.000 0.806 109 E CB -0.234 29.417 29.700 -0.082 0.000 0.750 109 E HN 0.603 nan 8.360 nan 0.000 0.458 110 L N 0.133 121.388 121.223 0.053 0.000 2.109 110 L HA -0.119 4.222 4.340 0.002 0.000 0.207 110 L C 2.484 179.448 176.870 0.157 0.000 1.086 110 L CA 0.721 55.621 54.840 0.101 0.000 0.760 110 L CB -0.265 41.799 42.059 0.007 0.000 0.910 110 L HN 0.220 nan 8.230 nan 0.000 0.437 111 M N -0.378 119.295 119.600 0.121 0.000 2.080 111 M HA -0.224 4.257 4.480 0.002 0.000 0.260 111 M C 2.535 178.964 176.300 0.214 0.000 1.068 111 M CA 2.097 57.480 55.300 0.138 0.000 1.109 111 M CB -0.487 32.166 32.600 0.089 0.000 1.342 111 M HN 0.322 nan 8.290 nan 0.000 0.405 112 A N 0.200 123.170 122.820 0.250 0.000 1.902 112 A HA -0.150 4.171 4.320 0.002 0.000 0.217 112 A C 2.167 180.089 177.584 0.563 0.000 1.181 112 A CA 1.222 53.507 52.037 0.414 0.000 0.623 112 A CB -0.969 18.261 19.000 0.384 0.000 0.818 112 A HN 0.507 nan 8.150 nan 0.000 0.443 113 L N 0.092 121.638 121.223 0.538 0.000 2.012 113 L HA -0.242 4.099 4.340 0.002 0.000 0.210 113 L C 2.446 179.414 176.870 0.162 0.000 1.073 113 L CA 2.246 57.288 54.840 0.337 0.000 0.748 113 L CB -0.551 41.689 42.059 0.301 0.000 0.891 113 L HN 0.612 nan 8.230 nan 0.000 0.431 114 N N -1.027 117.786 118.700 0.188 0.000 2.223 114 N HA -0.268 4.473 4.740 0.002 0.000 0.185 114 N C 1.969 177.556 175.510 0.128 0.000 1.016 114 N CA 1.193 54.320 53.050 0.128 0.000 0.863 114 N CB -0.102 38.473 38.487 0.147 0.000 0.983 114 N HN 0.375 nan 8.380 nan 0.000 0.429 115 Y N 1.881 122.230 120.300 0.082 0.000 2.181 115 Y HA -0.078 4.473 4.550 0.002 0.000 0.288 115 Y C 2.273 178.190 175.900 0.029 0.000 1.146 115 Y CA 1.208 59.345 58.100 0.062 0.000 1.164 115 Y CB -0.504 38.011 38.460 0.091 0.000 0.982 115 Y HN 0.015 nan 8.280 nan 0.000 0.515 116 L N -0.660 120.520 121.223 -0.073 0.000 2.042 116 L HA -0.302 4.039 4.340 0.002 0.000 0.210 116 L C 2.404 179.139 176.870 -0.224 0.000 1.076 116 L CA 1.886 56.592 54.840 -0.222 0.000 0.749 116 L CB -0.491 41.402 42.059 -0.278 0.000 0.893 116 L HN 0.343 nan 8.230 nan 0.000 0.432 117 M N -1.388 118.125 119.600 -0.146 0.000 2.388 117 M HA -0.072 4.409 4.480 0.002 0.000 0.265 117 M C 2.024 178.252 176.300 -0.120 0.000 1.088 117 M CA 1.756 56.984 55.300 -0.120 0.000 1.134 117 M CB -0.109 32.440 32.600 -0.085 0.000 1.384 117 M HN 0.375 nan 8.290 nan 0.000 0.447 118 T N -4.117 110.361 114.554 -0.125 0.000 2.969 118 T HA 0.237 4.588 4.350 0.002 0.000 0.250 118 T C 0.875 175.489 174.700 -0.144 0.000 1.021 118 T CA -0.133 61.910 62.100 -0.096 0.000 1.003 118 T CB 0.157 69.008 68.868 -0.029 0.000 1.040 118 T HN 0.257 nan 8.240 nan 0.000 0.492 119 K N 1.151 121.362 120.400 -0.316 0.000 3.274 119 K HA -0.162 4.159 4.320 0.002 0.000 0.300 119 K C -0.503 176.029 176.600 -0.112 0.000 1.230 119 K CA 0.907 56.925 56.287 -0.447 0.000 0.884 119 K CB -1.469 30.873 32.500 -0.263 0.000 1.242 119 K HN 0.519 nan 8.250 nan 0.000 0.467 120 D N 0.506 120.934 120.400 0.047 0.000 2.346 120 D HA 0.072 4.713 4.640 0.002 0.000 0.260 120 D C -1.424 175.068 176.300 0.320 0.000 1.252 120 D CA -2.219 51.876 54.000 0.159 0.000 0.895 120 D CB 1.128 41.995 40.800 0.112 0.000 1.097 120 D HN -0.085 nan 8.370 nan 0.000 0.489 121 P HA -0.171 nan 4.420 nan 0.000 0.216 121 P C 0.985 178.312 177.300 0.045 0.000 1.150 121 P CA 1.535 64.729 63.100 0.157 0.000 0.843 121 P CB 0.211 31.963 31.700 0.087 0.000 0.787 122 K N -0.662 119.771 120.400 0.055 0.000 2.103 122 K HA -0.101 4.220 4.320 0.002 0.000 0.207 122 K C 1.932 178.546 176.600 0.023 0.000 1.048 122 K CA 1.350 57.653 56.287 0.027 0.000 0.930 122 K CB -0.957 31.564 32.500 0.034 0.000 0.716 122 K HN 0.067 nan 8.250 nan 0.000 0.444 123 V N 0.918 120.879 119.914 0.078 0.000 2.270 123 V HA -0.152 3.969 4.120 0.002 0.000 0.245 123 V C 2.463 178.555 176.094 -0.003 0.000 1.043 123 V CA 2.188 64.543 62.300 0.092 0.000 1.014 123 V CB -1.021 30.916 31.823 0.190 0.000 0.645 123 V HN 0.501 nan 8.190 nan 0.000 0.447 124 G N -0.017 108.666 108.800 -0.195 0.000 2.440 124 G HA2 -0.229 3.732 3.960 0.002 0.000 0.218 124 G HA3 -0.229 3.732 3.960 0.002 0.000 0.218 124 G C 1.721 176.417 174.900 -0.340 0.000 1.154 124 G CA 0.488 45.205 45.100 -0.639 0.000 0.767 124 G HN 0.288 nan 8.290 nan 0.000 0.552 125 R N 0.420 120.780 120.500 -0.233 0.000 2.081 125 R HA -0.037 4.304 4.340 0.002 0.000 0.235 125 R C 2.342 178.596 176.300 -0.075 0.000 1.131 125 R CA 1.324 57.341 56.100 -0.137 0.000 0.960 125 R CB -0.803 29.442 30.300 -0.093 0.000 0.856 125 R HN 0.628 nan 8.270 nan 0.000 0.436 126 E N 0.368 120.538 120.200 -0.049 0.000 2.077 126 E HA -0.133 4.218 4.350 0.002 0.000 0.193 126 E C 1.848 178.445 176.600 -0.005 0.000 0.989 126 E CA 1.131 57.522 56.400 -0.016 0.000 0.800 126 E CB 0.001 29.702 29.700 0.002 0.000 0.746 126 E HN 0.290 nan 8.360 nan 0.000 0.452 127 A N 0.909 123.724 122.820 -0.009 0.000 1.908 127 A HA -0.186 4.135 4.320 0.002 0.000 0.218 127 A C 2.138 179.743 177.584 0.035 0.000 1.181 127 A CA 1.454 53.501 52.037 0.017 0.000 0.627 127 A CB -0.610 18.405 19.000 0.025 0.000 0.818 127 A HN 0.331 nan 8.150 nan 0.000 0.445 128 I N -0.577 119.998 120.570 0.009 0.000 2.202 128 I HA -0.200 3.971 4.170 0.002 0.000 0.242 128 I C 2.525 178.700 176.117 0.096 0.000 1.091 128 I CA 1.781 63.129 61.300 0.080 0.000 1.368 128 I CB -0.488 37.497 38.000 -0.025 0.000 1.058 128 I HN 0.254 nan 8.210 nan 0.000 0.410 129 T N -0.420 114.151 114.554 0.028 0.000 2.904 129 T HA -0.095 4.256 4.350 0.002 0.000 0.267 129 T C 2.026 176.729 174.700 0.005 0.000 1.059 129 T CA 1.442 63.549 62.100 0.012 0.000 1.137 129 T CB -0.111 68.754 68.868 -0.006 0.000 0.879 129 T HN 0.234 nan 8.240 nan 0.000 0.467 130 S N 0.690 116.397 115.700 0.012 0.000 2.428 130 S HA 0.104 4.575 4.470 0.002 0.000 0.230 130 S C 1.783 176.387 174.600 0.006 0.000 1.014 130 S CA 0.348 58.553 58.200 0.009 0.000 0.957 130 S CB -0.122 63.087 63.200 0.015 0.000 0.784 130 S HN 0.296 nan 8.310 nan 0.000 0.499 131 I N 0.662 121.236 120.570 0.007 0.000 3.526 131 I HA 0.292 4.463 4.170 0.002 0.000 0.294 131 I C 1.556 177.589 176.117 -0.140 0.000 1.229 131 I CA 0.069 61.349 61.300 -0.033 0.000 1.408 131 I CB -0.083 37.914 38.000 -0.005 0.000 1.127 131 I HN 0.190 nan 8.210 nan 0.000 0.439 132 I N 0.238 120.713 120.570 -0.159 0.000 2.226 132 I HA -0.302 3.869 4.170 0.002 0.000 0.245 132 I C 1.839 177.788 176.117 -0.280 0.000 1.100 132 I CA 1.650 62.726 61.300 -0.372 0.000 1.374 132 I CB -0.144 37.712 38.000 -0.240 0.000 1.057 132 I HN 0.198 nan 8.210 nan 0.000 0.413 133 D N -0.094 120.221 120.400 -0.141 0.000 2.084 133 D HA -0.210 4.431 4.640 0.002 0.000 0.194 133 D C 2.077 178.337 176.300 -0.067 0.000 0.990 133 D CA 1.967 55.909 54.000 -0.096 0.000 0.826 133 D CB -0.470 40.297 40.800 -0.055 0.000 0.971 133 D HN 0.293 nan 8.370 nan 0.000 0.453 134 T N 0.296 114.840 114.554 -0.017 0.000 2.867 134 T HA -0.111 4.240 4.350 0.002 0.000 0.268 134 T C 2.016 176.837 174.700 0.201 0.000 1.057 134 T CA 0.469 62.617 62.100 0.081 0.000 1.136 134 T CB -0.314 68.643 68.868 0.149 0.000 0.874 134 T HN -0.032 nan 8.240 nan 0.000 0.466 135 L N 1.740 122.997 121.223 0.056 0.000 2.042 135 L HA -0.095 4.246 4.340 0.002 0.000 0.210 135 L C 2.484 179.352 176.870 -0.004 0.000 1.076 135 L CA 2.504 57.324 54.840 -0.033 0.000 0.749 135 L CB -0.548 41.199 42.059 -0.520 0.000 0.893 135 L HN 0.561 nan 8.230 nan 0.000 0.432 136 E N -2.264 117.856 120.200 -0.133 0.000 2.285 136 E HA -0.124 4.227 4.350 0.002 0.000 0.194 136 E C 1.471 178.049 176.600 -0.037 0.000 0.997 136 E CA 1.226 57.556 56.400 -0.117 0.000 0.845 136 E CB -0.399 29.200 29.700 -0.169 0.000 0.782 136 E HN 0.603 nan 8.360 nan 0.000 0.491 137 T N -1.915 112.631 114.554 -0.014 0.000 3.001 137 T HA 0.454 4.805 4.350 0.002 0.000 0.251 137 T C 0.915 175.589 174.700 -0.043 0.000 1.040 137 T CA -0.011 62.074 62.100 -0.026 0.000 0.985 137 T CB 0.336 69.179 68.868 -0.041 0.000 1.011 137 T HN 0.283 nan 8.240 nan 0.000 0.509 138 A N 1.568 124.368 122.820 -0.033 0.000 2.565 138 A HA 0.476 4.797 4.320 0.002 0.000 0.237 138 A C 0.473 177.918 177.584 -0.232 0.000 1.053 138 A CA 0.188 52.079 52.037 -0.243 0.000 0.755 138 A CB -0.139 18.548 19.000 -0.522 0.000 0.980 138 A HN 0.374 nan 8.150 nan 0.000 0.506 139 T N 1.419 115.724 114.554 -0.415 0.000 2.885 139 T HA 0.676 5.027 4.350 0.002 0.000 0.285 139 T C -1.289 173.092 174.700 -0.531 0.000 1.019 139 T CA -0.290 61.653 62.100 -0.262 0.000 1.010 139 T CB 0.149 68.926 68.868 -0.152 0.000 1.022 139 T HN 0.371 nan 8.240 nan 0.000 0.466 140 F N 2.957 122.844 119.950 -0.105 0.000 2.553 140 F HA 0.441 4.969 4.527 0.001 0.000 0.335 140 F C 0.293 176.056 175.800 -0.061 0.000 1.148 140 F CA -1.082 56.862 58.000 -0.093 0.000 0.963 140 F CB 1.623 40.532 39.000 -0.152 0.000 1.217 140 F HN 0.381 nan 8.300 nan 0.000 0.441 141 K N 5.023 125.466 120.400 0.072 0.000 2.436 141 K HA 0.183 4.504 4.320 0.002 0.000 0.282 141 K C -2.379 174.252 176.600 0.052 0.000 1.044 141 K CA -1.235 55.071 56.287 0.030 0.000 1.028 141 K CB 0.434 32.922 32.500 -0.020 0.000 0.919 141 K HN 0.204 nan 8.250 nan 0.000 0.474 142 P HA -0.011 nan 4.420 nan 0.000 0.268 142 P C -0.845 176.468 177.300 0.022 0.000 1.204 142 P CA 0.051 63.169 63.100 0.029 0.000 0.768 142 P CB 1.560 33.273 31.700 0.021 0.000 0.842 143 A N 2.155 124.988 122.820 0.022 0.000 1.704 143 A HA 0.544 4.865 4.320 0.002 0.000 0.211 143 A C 1.308 178.905 177.584 0.022 0.000 1.792 143 A CA 0.798 52.849 52.037 0.023 0.000 1.264 143 A CB -0.354 18.668 19.000 0.036 0.000 1.235 143 A HN 0.631 nan 8.150 nan 0.000 0.440 144 G N 0.358 109.162 108.800 0.007 0.000 2.205 144 G HA2 -0.099 3.862 3.960 0.002 0.000 0.180 144 G HA3 -0.099 3.862 3.960 0.002 0.000 0.180 144 G C 0.039 174.904 174.900 -0.059 0.000 1.004 144 G CA 1.007 46.104 45.100 -0.005 0.000 0.670 144 G HN 1.048 nan 8.290 nan 0.000 0.496 145 D N -0.640 119.728 120.400 -0.053 0.000 2.516 145 D HA 0.229 4.870 4.640 0.002 0.000 0.241 145 D C 1.537 177.781 176.300 -0.093 0.000 1.246 145 D CA 0.010 53.940 54.000 -0.116 0.000 0.808 145 D CB -0.360 40.450 40.800 0.017 0.000 1.147 145 D HN 0.235 nan 8.370 nan 0.000 0.527 146 I N 1.016 121.547 120.570 -0.066 0.000 2.614 146 I HA -0.114 4.057 4.170 0.002 0.000 0.258 146 I C 1.634 177.623 176.117 -0.212 0.000 1.189 146 I CA 0.943 62.188 61.300 -0.092 0.000 1.462 146 I CB -0.282 37.696 38.000 -0.036 0.000 1.092 146 I HN -0.078 nan 8.210 nan 0.000 0.442 147 S N 0.425 116.021 115.700 -0.172 0.000 2.400 147 S HA -0.210 4.261 4.470 0.002 0.000 0.232 147 S C 2.045 176.546 174.600 -0.165 0.000 1.025 147 S CA 1.281 59.385 58.200 -0.160 0.000 0.993 147 S CB -0.321 62.831 63.200 -0.080 0.000 0.808 147 S HN 0.514 nan 8.310 nan 0.000 0.478 148 R N 0.410 120.797 120.500 -0.189 0.000 2.075 148 R HA -0.027 4.314 4.340 0.002 0.000 0.232 148 R C 2.721 178.892 176.300 -0.216 0.000 1.126 148 R CA 1.259 57.227 56.100 -0.219 0.000 0.963 148 R CB -0.747 29.247 30.300 -0.509 0.000 0.858 148 R HN 0.457 nan 8.270 nan 0.000 0.435 149 G N 1.106 109.692 108.800 -0.356 0.000 2.402 149 G HA2 -0.197 3.764 3.960 0.002 0.000 0.216 149 G HA3 -0.197 3.764 3.960 0.002 0.000 0.216 149 G C 1.462 176.031 174.900 -0.552 0.000 1.162 149 G CA 0.471 45.230 45.100 -0.567 0.000 0.777 149 G HN 0.128 nan 8.290 nan 0.000 0.539 150 I N 1.347 121.456 120.570 -0.768 0.000 2.163 150 I HA -0.113 4.058 4.170 0.002 0.000 0.243 150 I C 3.068 179.023 176.117 -0.269 0.000 1.085 150 I CA 1.198 61.970 61.300 -0.879 0.000 1.347 150 I CB -0.408 37.127 38.000 -0.776 0.000 1.044 150 I HN 0.236 nan 8.210 nan 0.000 0.408 151 G N 0.743 109.456 108.800 -0.145 0.000 2.422 151 G HA2 -0.240 3.721 3.960 0.002 0.000 0.218 151 G HA3 -0.240 3.721 3.960 0.002 0.000 0.218 151 G C 1.633 176.579 174.900 0.076 0.000 1.146 151 G CA 0.572 45.675 45.100 0.004 0.000 0.769 151 G HN 0.259 nan 8.290 nan 0.000 0.547 152 L N -0.425 120.850 121.223 0.088 0.000 2.056 152 L HA 0.180 4.521 4.340 0.002 0.000 0.207 152 L C 2.388 179.392 176.870 0.223 0.000 1.078 152 L CA 1.383 56.317 54.840 0.157 0.000 0.749 152 L CB -0.755 41.418 42.059 0.189 0.000 0.901 152 L HN 0.176 nan 8.230 nan 0.000 0.433 153 F N -0.094 119.904 119.950 0.080 0.000 2.126 153 F HA -0.277 4.251 4.527 0.002 0.000 0.299 153 F C 2.298 178.191 175.800 0.155 0.000 1.096 153 F CA 2.039 60.125 58.000 0.144 0.000 1.255 153 F CB -0.276 38.858 39.000 0.222 0.000 0.997 153 F HN 0.114 nan 8.300 nan 0.000 0.479 154 M N -1.181 118.533 119.600 0.190 0.000 2.117 154 M HA -0.207 4.274 4.480 0.002 0.000 0.262 154 M C 2.084 178.498 176.300 0.190 0.000 1.065 154 M CA 1.378 56.808 55.300 0.216 0.000 1.114 154 M CB -0.527 32.183 32.600 0.185 0.000 1.361 154 M HN -0.016 nan 8.290 nan 0.000 0.408 155 V N -0.059 119.942 119.914 0.145 0.000 2.343 155 V HA -0.273 3.848 4.120 0.002 0.000 0.247 155 V C 2.294 178.454 176.094 0.111 0.000 1.051 155 V CA 2.264 64.661 62.300 0.162 0.000 1.036 155 V CB -0.972 30.987 31.823 0.227 0.000 0.654 155 V HN 0.510 nan 8.190 nan 0.000 0.451 156 T N 0.345 114.937 114.554 0.063 0.000 2.635 156 T HA -0.196 4.155 4.350 0.002 0.000 0.267 156 T C 1.871 176.575 174.700 0.007 0.000 1.040 156 T CA 1.806 63.899 62.100 -0.012 0.000 1.156 156 T CB -0.758 68.077 68.868 -0.056 0.000 0.863 156 T HN 0.638 nan 8.240 nan 0.000 0.430 157 G N 0.810 109.643 108.800 0.054 0.000 2.422 157 G HA2 -0.036 3.925 3.960 0.002 0.000 0.218 157 G HA3 -0.036 3.925 3.960 0.002 0.000 0.218 157 G C 1.809 177.040 174.900 0.552 0.000 1.146 157 G CA 0.933 46.218 45.100 0.309 0.000 0.769 157 G HN 0.599 nan 8.290 nan 0.000 0.547 158 A N 0.632 123.641 122.820 0.315 0.000 1.930 158 A HA 0.087 4.408 4.320 0.002 0.000 0.217 158 A C 2.376 179.931 177.584 -0.049 0.000 1.175 158 A CA 1.152 53.209 52.037 0.033 0.000 0.627 158 A CB -0.312 18.592 19.000 -0.159 0.000 0.815 158 A HN 0.373 nan 8.150 nan 0.000 0.443 159 I N -0.466 120.000 120.570 -0.173 0.000 2.127 159 I HA -0.246 3.925 4.170 0.002 0.000 0.241 159 I C 2.396 178.288 176.117 -0.375 0.000 1.075 159 I CA 1.386 62.334 61.300 -0.586 0.000 1.334 159 I CB -0.386 37.214 38.000 -0.667 0.000 1.040 159 I HN 0.165 nan 8.210 nan 0.000 0.405 160 V N 0.038 119.900 119.914 -0.087 0.000 2.255 160 V HA -0.356 3.765 4.120 0.002 0.000 0.247 160 V C 2.260 178.354 176.094 0.000 0.000 1.051 160 V CA 2.165 64.478 62.300 0.022 0.000 1.018 160 V CB -0.895 30.994 31.823 0.110 0.000 0.641 160 V HN 0.384 nan 8.190 nan 0.000 0.445 161 Y N 1.116 121.332 120.300 -0.140 0.000 2.081 161 Y HA -0.343 4.208 4.550 0.002 0.000 0.280 161 Y C 2.483 178.373 175.900 -0.016 0.000 1.163 161 Y CA 2.483 60.437 58.100 -0.242 0.000 1.135 161 Y CB -0.249 38.141 38.460 -0.118 0.000 0.970 161 Y HN 0.418 nan 8.280 nan 0.000 0.498 162 D N -1.310 119.283 120.400 0.322 0.000 2.103 162 D HA -0.193 4.448 4.640 0.002 0.000 0.199 162 D C 1.660 178.268 176.300 0.513 0.000 0.978 162 D CA 1.615 55.877 54.000 0.436 0.000 0.829 162 D CB -0.374 40.661 40.800 0.392 0.000 0.981 162 D HN 0.352 nan 8.370 nan 0.000 0.464 163 W N 0.004 121.404 121.300 0.166 0.000 2.518 163 W HA 0.141 4.802 4.660 0.001 0.000 0.273 163 W C 1.498 178.164 176.519 0.246 0.000 1.247 163 W CA -0.089 57.373 57.345 0.194 0.000 1.288 163 W CB -0.788 28.779 29.460 0.180 0.000 1.107 163 W HN 0.119 nan 8.180 nan 0.000 0.586 164 C N -0.822 118.660 119.300 0.303 0.000 2.760 164 C HA 0.181 4.642 4.460 0.002 0.000 0.293 164 C C 1.963 176.883 174.990 -0.117 0.000 1.383 164 C CA -1.003 58.021 59.018 0.010 0.000 1.771 164 C CB -2.219 25.393 27.740 -0.214 0.000 2.353 164 C HN 0.275 nan 8.230 nan 0.000 0.578 165 Y N 3.729 123.933 120.300 -0.160 0.000 2.114 165 Y HA -0.273 4.278 4.550 0.002 0.000 0.282 165 Y C 2.116 177.844 175.900 -0.287 0.000 1.165 165 Y CA 2.554 60.411 58.100 -0.405 0.000 1.148 165 Y CB -0.008 38.038 38.460 -0.690 0.000 0.972 165 Y HN 0.501 nan 8.280 nan 0.000 0.504 166 D N -1.210 119.199 120.400 0.016 0.000 2.378 166 D HA -0.141 4.500 4.640 0.002 0.000 0.222 166 D C 1.262 177.491 176.300 -0.119 0.000 0.980 166 D CA 0.801 54.800 54.000 -0.002 0.000 0.907 166 D CB -0.429 40.463 40.800 0.154 0.000 0.899 166 D HN 0.388 nan 8.370 nan 0.000 0.527 167 Q N -0.216 119.451 119.800 -0.222 0.000 2.282 167 Q HA 0.260 4.601 4.340 0.002 0.000 0.206 167 Q C 0.516 176.340 176.000 -0.294 0.000 0.878 167 Q CA -0.156 55.495 55.803 -0.252 0.000 0.944 167 Q CB 0.837 29.357 28.738 -0.363 0.000 1.100 167 Q HN 0.389 nan 8.270 nan 0.000 0.509 168 L N 1.946 122.914 121.223 -0.425 0.000 2.410 168 L HA 0.089 4.430 4.340 0.002 0.000 0.273 168 L C 0.519 177.195 176.870 -0.324 0.000 1.152 168 L CA 0.265 54.837 54.840 -0.447 0.000 0.855 168 L CB 0.451 42.066 42.059 -0.740 0.000 1.129 168 L HN -0.222 nan 8.230 nan 0.000 0.463 169 K N 4.100 124.376 120.400 -0.207 0.000 2.118 169 K HA 0.234 4.555 4.320 0.002 0.000 0.264 169 K C -1.652 174.876 176.600 -0.120 0.000 1.000 169 K CA -1.628 54.577 56.287 -0.136 0.000 0.929 169 K CB 0.772 33.224 32.500 -0.081 0.000 1.021 169 K HN 0.225 nan 8.250 nan 0.000 0.463 170 P HA -0.209 nan 4.420 nan 0.000 0.215 170 P C 0.487 177.780 177.300 -0.011 0.000 1.157 170 P CA 1.474 64.547 63.100 -0.046 0.000 0.874 170 P CB 0.251 31.936 31.700 -0.023 0.000 0.790 171 E N -0.209 119.987 120.200 -0.007 0.000 2.085 171 E HA -0.198 4.153 4.350 0.002 0.000 0.194 171 E C 1.957 178.578 176.600 0.035 0.000 0.994 171 E CA 1.280 57.686 56.400 0.011 0.000 0.801 171 E CB -0.746 28.954 29.700 0.001 0.000 0.743 171 E HN 0.445 nan 8.360 nan 0.000 0.453 172 E N 0.535 120.757 120.200 0.036 0.000 2.106 172 E HA -0.149 4.202 4.350 0.002 0.000 0.192 172 E C 1.876 178.619 176.600 0.237 0.000 0.984 172 E CA 0.874 57.347 56.400 0.122 0.000 0.806 172 E CB -0.035 29.719 29.700 0.090 0.000 0.750 172 E HN 0.166 nan 8.360 nan 0.000 0.458 173 K N 0.184 120.644 120.400 0.100 0.000 2.032 173 K HA -0.135 4.186 4.320 0.002 0.000 0.209 173 K C 2.278 179.043 176.600 0.275 0.000 1.048 173 K CA 1.816 58.215 56.287 0.188 0.000 0.927 173 K CB -0.198 32.339 32.500 0.063 0.000 0.712 173 K HN 0.093 nan 8.250 nan 0.000 0.441 174 T N 0.796 115.441 114.554 0.152 0.000 2.746 174 T HA -0.122 4.229 4.350 0.002 0.000 0.267 174 T C 1.829 176.573 174.700 0.073 0.000 1.039 174 T CA 1.170 63.330 62.100 0.100 0.000 1.142 174 T CB -0.169 68.734 68.868 0.057 0.000 0.866 174 T HN 0.236 nan 8.240 nan 0.000 0.444 175 R N -0.001 120.542 120.500 0.072 0.000 2.091 175 R HA -0.031 4.310 4.340 0.002 0.000 0.238 175 R C 2.234 178.492 176.300 -0.069 0.000 1.136 175 R CA 1.435 57.526 56.100 -0.015 0.000 0.959 175 R CB -0.543 29.729 30.300 -0.045 0.000 0.856 175 R HN 0.329 nan 8.270 nan 0.000 0.437 176 F N 0.193 120.110 119.950 -0.056 0.000 2.102 176 F HA -0.234 4.294 4.527 0.002 0.000 0.298 176 F C 2.437 178.136 175.800 -0.168 0.000 1.105 176 F CA 1.315 59.220 58.000 -0.157 0.000 1.239 176 F CB -0.511 38.615 39.000 0.210 0.000 0.991 176 F HN -0.211 nan 8.300 nan 0.000 0.474 177 V N 0.208 120.239 119.914 0.193 0.000 2.287 177 V HA -0.338 3.783 4.120 0.002 0.000 0.248 177 V C 2.277 178.278 176.094 -0.155 0.000 1.053 177 V CA 1.992 64.304 62.300 0.019 0.000 1.027 177 V CB -0.596 31.165 31.823 -0.104 0.000 0.646 177 V HN 0.288 nan 8.190 nan 0.000 0.447 178 K N -0.034 120.279 120.400 -0.146 0.000 2.097 178 K HA -0.110 4.211 4.320 0.002 0.000 0.206 178 K C 2.296 178.808 176.600 -0.147 0.000 1.049 178 K CA 1.386 57.581 56.287 -0.153 0.000 0.933 178 K CB -0.388 32.051 32.500 -0.102 0.000 0.717 178 K HN 0.488 nan 8.250 nan 0.000 0.442 179 A N 1.150 123.848 122.820 -0.203 0.000 1.877 179 A HA -0.129 4.192 4.320 0.002 0.000 0.216 179 A C 2.001 179.467 177.584 -0.196 0.000 1.186 179 A CA 1.211 53.097 52.037 -0.252 0.000 0.620 179 A CB -0.836 17.894 19.000 -0.450 0.000 0.822 179 A HN 0.211 nan 8.150 nan 0.000 0.443 180 F N -0.252 119.626 119.950 -0.119 0.000 2.126 180 F HA -0.190 4.338 4.527 0.002 0.000 0.299 180 F C 2.449 178.123 175.800 -0.210 0.000 1.096 180 F CA 1.202 59.121 58.000 -0.135 0.000 1.255 180 F CB -0.313 38.601 39.000 -0.143 0.000 0.997 180 F HN 0.043 nan 8.300 nan 0.000 0.479 181 V N 0.214 120.071 119.914 -0.095 0.000 2.343 181 V HA -0.311 3.810 4.120 0.002 0.000 0.247 181 V C 2.419 178.441 176.094 -0.120 0.000 1.051 181 V CA 2.028 64.183 62.300 -0.242 0.000 1.036 181 V CB -0.656 31.021 31.823 -0.243 0.000 0.654 181 V HN 0.269 nan 8.190 nan 0.000 0.451 182 R N -0.196 120.267 120.500 -0.062 0.000 2.083 182 R HA -0.160 4.181 4.340 0.002 0.000 0.237 182 R C 2.261 178.565 176.300 0.007 0.000 1.137 182 R CA 1.772 57.863 56.100 -0.015 0.000 0.951 182 R CB -0.292 29.999 30.300 -0.015 0.000 0.851 182 R HN 0.454 nan 8.270 nan 0.000 0.434 183 L N 0.054 121.287 121.223 0.017 0.000 2.093 183 L HA -0.060 4.281 4.340 0.002 0.000 0.208 183 L C 2.714 179.579 176.870 -0.008 0.000 1.085 183 L CA 1.123 55.979 54.840 0.027 0.000 0.755 183 L CB -0.493 41.627 42.059 0.100 0.000 0.904 183 L HN 0.315 nan 8.230 nan 0.000 0.435 184 A N 0.213 123.013 122.820 -0.032 0.000 1.933 184 A HA -0.227 4.094 4.320 0.002 0.000 0.218 184 A C 2.264 179.886 177.584 0.063 0.000 1.175 184 A CA 1.663 53.675 52.037 -0.043 0.000 0.628 184 A CB -0.358 18.465 19.000 -0.294 0.000 0.814 184 A HN 0.312 nan 8.150 nan 0.000 0.444 185 K N -0.879 119.563 120.400 0.070 0.000 2.362 185 K HA 0.040 4.361 4.320 0.002 0.000 0.200 185 K C 1.627 178.272 176.600 0.076 0.000 1.046 185 K CA 1.200 57.564 56.287 0.129 0.000 0.952 185 K CB -0.185 32.386 32.500 0.119 0.000 0.753 185 K HN 0.561 nan 8.250 nan 0.000 0.466 186 M N 0.485 120.103 119.600 0.030 0.000 2.541 186 M HA 0.052 4.533 4.480 0.002 0.000 0.252 186 M C 0.163 176.453 176.300 -0.017 0.000 1.125 186 M CA 0.372 55.670 55.300 -0.004 0.000 1.091 186 M CB 0.097 32.665 32.600 -0.053 0.000 1.420 186 M HN -0.003 nan 8.290 nan 0.000 0.486 187 L N 0.679 121.906 121.223 0.006 0.000 2.439 187 L HA 0.027 4.368 4.340 0.002 0.000 0.269 187 L C 1.655 178.551 176.870 0.043 0.000 1.179 187 L CA -0.030 54.818 54.840 0.013 0.000 0.828 187 L CB 0.404 42.490 42.059 0.045 0.000 1.106 187 L HN 0.183 nan 8.230 nan 0.000 0.467 188 E N 0.962 121.186 120.200 0.040 0.000 2.118 188 E HA -0.237 4.114 4.350 0.002 0.000 0.195 188 E C 1.955 178.602 176.600 0.078 0.000 0.992 188 E CA 1.897 58.333 56.400 0.061 0.000 0.804 188 E CB 0.072 29.820 29.700 0.079 0.000 0.741 188 E HN 0.929 nan 8.360 nan 0.000 0.458 189 C N -0.573 118.783 119.300 0.094 0.000 2.449 189 C HA 0.399 4.860 4.460 0.002 0.000 0.283 189 C C 1.384 176.428 174.990 0.091 0.000 1.453 189 C CA -0.126 58.951 59.018 0.098 0.000 1.779 189 C CB -1.556 26.257 27.740 0.121 0.000 1.779 189 C HN 0.541 nan 8.230 nan 0.000 0.546 190 G N -0.502 108.357 108.800 0.100 0.000 2.814 190 G HA2 -0.091 3.870 3.960 0.002 0.000 0.677 190 G HA3 -0.091 3.870 3.960 0.002 0.000 0.677 190 G C -1.138 173.872 174.900 0.182 0.000 1.429 190 G CA 0.026 45.194 45.100 0.113 0.000 0.868 190 G HN 1.228 nan 8.290 nan 0.000 0.553 191 Y N 2.209 122.543 120.300 0.057 0.000 2.327 191 Y HA 0.583 5.134 4.550 0.002 0.000 0.325 191 Y C -1.678 174.264 175.900 0.071 0.000 0.999 191 Y CA -1.710 56.433 58.100 0.071 0.000 1.195 191 Y CB 1.791 40.303 38.460 0.087 0.000 1.132 191 Y HN 0.690 nan 8.280 nan 0.000 0.455 192 P HA 0.128 nan 4.420 nan 0.000 0.269 192 P C -2.742 174.473 177.300 -0.140 0.000 1.215 192 P CA -1.295 61.505 63.100 -0.499 0.000 0.780 192 P CB 0.502 32.004 31.700 -0.330 0.000 0.898 193 P HA 0.007 nan 4.420 nan 0.000 0.230 193 P C 0.812 178.133 177.300 0.035 0.000 1.791 193 P CA -0.032 63.097 63.100 0.049 0.000 1.020 193 P CB -0.375 31.380 31.700 0.090 0.000 1.977 194 V N -0.922 119.003 119.914 0.018 0.000 3.644 194 V HA 0.236 4.357 4.120 0.002 0.000 0.267 194 V C 0.812 176.920 176.094 0.023 0.000 1.277 194 V CA 0.314 62.622 62.300 0.013 0.000 1.096 194 V CB -0.668 31.151 31.823 -0.008 0.000 0.828 194 V HN -0.001 nan 8.190 nan 0.000 0.446 195 K N 0.969 121.390 120.400 0.036 0.000 2.098 195 K HA 0.429 4.750 4.320 0.002 0.000 0.244 195 K C -0.055 176.568 176.600 0.038 0.000 1.014 195 K CA -0.141 56.165 56.287 0.033 0.000 0.917 195 K CB 0.168 32.692 32.500 0.040 0.000 1.072 195 K HN 0.272 nan 8.250 nan 0.000 0.477 196 D N -0.138 120.274 120.400 0.020 0.000 4.160 196 D HA -0.146 4.495 4.640 0.002 0.000 0.291 196 D C -0.916 175.378 176.300 -0.010 0.000 2.226 196 D CA 0.879 54.883 54.000 0.006 0.000 1.157 196 D CB -0.092 40.731 40.800 0.038 0.000 1.020 196 D HN 0.326 nan 8.370 nan 0.000 1.219 197 K N -0.217 120.166 120.400 -0.028 0.000 2.328 197 K HA 0.624 4.945 4.320 0.002 0.000 0.246 197 K C 0.206 176.737 176.600 -0.116 0.000 0.955 197 K CA -0.656 55.587 56.287 -0.074 0.000 0.817 197 K CB 1.827 34.270 32.500 -0.096 0.000 1.208 197 K HN 0.237 nan 8.250 nan 0.000 0.432 198 S N 0.699 116.260 115.700 -0.232 0.000 2.535 198 S HA 0.174 4.645 4.470 0.002 0.000 0.214 198 S C 1.554 175.878 174.600 -0.460 0.000 0.980 198 S CA 0.010 57.854 58.200 -0.594 0.000 0.907 198 S CB 0.006 62.880 63.200 -0.544 0.000 0.790 198 S HN 0.473 nan 8.310 nan 0.000 0.510 199 I N 0.469 120.942 120.570 -0.162 0.000 3.616 199 I HA 0.180 4.351 4.170 0.002 0.000 0.296 199 I C 0.701 176.927 176.117 0.181 0.000 1.226 199 I CA 0.033 61.361 61.300 0.046 0.000 1.394 199 I CB 0.389 38.432 38.000 0.071 0.000 1.171 199 I HN 0.144 nan 8.210 nan 0.000 0.442 200 V N -1.808 118.156 119.914 0.082 0.000 3.087 200 V HA 0.966 5.087 4.120 0.002 0.000 0.311 200 V C 0.318 176.411 176.094 -0.001 0.000 1.333 200 V CA -0.255 62.107 62.300 0.104 0.000 1.054 200 V CB 0.607 32.476 31.823 0.076 0.000 1.123 200 V HN 0.404 nan 8.190 nan 0.000 0.473 201 G N -0.507 108.238 108.800 -0.092 0.000 2.750 201 G HA2 -0.218 3.743 3.960 0.002 0.000 0.228 201 G HA3 -0.218 3.743 3.960 0.002 0.000 0.228 201 G C 0.057 174.911 174.900 -0.077 0.000 1.367 201 G CA 0.864 45.830 45.100 -0.223 0.000 0.871 201 G HN 1.449 nan 8.290 nan 0.000 0.560 202 H N 0.061 119.126 119.070 -0.008 0.000 2.457 202 H HA 0.185 4.742 4.556 0.002 0.000 0.294 202 H C 2.858 178.240 175.328 0.089 0.000 1.064 202 H CA 1.419 57.491 56.048 0.040 0.000 1.330 202 H CB 0.040 29.814 29.762 0.020 0.000 1.395 202 H HN 0.724 nan 8.280 nan 0.000 0.541 203 A N 0.246 123.182 122.820 0.194 0.000 2.239 203 A HA -0.017 4.304 4.320 0.002 0.000 0.209 203 A C 1.648 179.425 177.584 0.322 0.000 1.171 203 A CA 0.794 52.966 52.037 0.225 0.000 0.768 203 A CB 0.003 19.117 19.000 0.191 0.000 0.790 203 A HN 0.212 nan 8.150 nan 0.000 0.478 204 S N -0.164 115.684 115.700 0.246 0.000 2.583 204 S HA 0.195 4.666 4.470 0.002 0.000 0.239 204 S C 0.517 175.237 174.600 0.199 0.000 0.966 204 S CA -0.202 58.170 58.200 0.286 0.000 0.973 204 S CB 0.053 63.391 63.200 0.229 0.000 0.794 204 S HN 0.708 nan 8.310 nan 0.000 0.463 205 E N -0.308 119.977 120.200 0.143 0.000 3.846 205 E HA 0.225 4.576 4.350 0.002 0.000 0.262 205 E C 0.416 176.972 176.600 -0.072 0.000 0.786 205 E CA -0.686 55.689 56.400 -0.042 0.000 1.620 205 E CB 0.037 29.757 29.700 0.033 0.000 1.928 205 E HN 0.337 nan 8.360 nan 0.000 0.410 206 W N 1.705 123.069 121.300 0.107 0.000 2.418 206 W HA -0.062 4.599 4.660 0.001 0.000 0.292 206 W C 2.471 179.008 176.519 0.030 0.000 1.213 206 W CA 0.842 58.210 57.345 0.039 0.000 1.283 206 W CB -0.407 29.097 29.460 0.072 0.000 1.119 206 W HN 0.404 nan 8.180 nan 0.000 0.542 207 M N -0.858 118.903 119.600 0.268 0.000 2.144 207 M HA -0.151 4.330 4.480 0.002 0.000 0.260 207 M C 1.554 177.928 176.300 0.123 0.000 1.067 207 M CA 2.018 57.423 55.300 0.175 0.000 1.095 207 M CB -1.009 31.679 32.600 0.147 0.000 1.365 207 M HN 0.092 nan 8.290 nan 0.000 0.406 208 I N -0.452 120.177 120.570 0.099 0.000 2.899 208 I HA -0.002 4.169 4.170 0.002 0.000 0.257 208 I C 2.569 178.667 176.117 -0.032 0.000 1.115 208 I CA 0.513 61.830 61.300 0.027 0.000 1.451 208 I CB -0.147 37.838 38.000 -0.024 0.000 1.251 208 I HN 0.212 nan 8.210 nan 0.000 0.456 209 M N 0.165 119.744 119.600 -0.034 0.000 2.296 209 M HA -0.152 4.329 4.480 0.002 0.000 0.265 209 M C 2.371 178.661 176.300 -0.016 0.000 1.064 209 M CA 1.691 56.936 55.300 -0.092 0.000 1.109 209 M CB -0.164 32.445 32.600 0.015 0.000 1.396 209 M HN 0.186 nan 8.290 nan 0.000 0.430 210 R N -0.066 120.457 120.500 0.038 0.000 2.084 210 R HA -0.036 4.305 4.340 0.002 0.000 0.209 210 R C 1.422 177.784 176.300 0.104 0.000 1.173 210 R CA 0.898 57.031 56.100 0.055 0.000 1.053 210 R CB 0.185 30.393 30.300 -0.154 0.000 0.948 210 R HN 0.131 nan 8.270 nan 0.000 0.460 211 D N 1.017 121.479 120.400 0.104 0.000 2.107 211 D HA -0.133 4.508 4.640 0.002 0.000 0.204 211 D C 1.860 178.202 176.300 0.070 0.000 0.978 211 D CA 0.858 54.921 54.000 0.105 0.000 0.852 211 D CB -0.374 40.494 40.800 0.113 0.000 1.008 211 D HN 0.113 nan 8.370 nan 0.000 0.458 212 L N 0.648 121.909 121.223 0.063 0.000 2.083 212 L HA -0.087 4.254 4.340 0.002 0.000 0.209 212 L C 2.143 179.037 176.870 0.039 0.000 1.083 212 L CA 1.023 55.894 54.840 0.051 0.000 0.752 212 L CB -0.545 41.568 42.059 0.090 0.000 0.899 212 L HN -0.002 nan 8.230 nan 0.000 0.433 213 L N -1.330 119.910 121.223 0.029 0.000 2.017 213 L HA -0.188 4.153 4.340 0.002 0.000 0.208 213 L C 2.532 179.449 176.870 0.079 0.000 1.073 213 L CA 1.943 56.800 54.840 0.029 0.000 0.745 213 L CB -0.868 41.167 42.059 -0.040 0.000 0.894 213 L HN 0.247 nan 8.230 nan 0.000 0.432 214 S N -1.034 114.718 115.700 0.088 0.000 2.359 214 S HA -0.192 4.279 4.470 0.002 0.000 0.224 214 S C 1.945 176.503 174.600 -0.071 0.000 1.035 214 S CA 1.622 59.857 58.200 0.059 0.000 1.018 214 S CB -0.508 62.800 63.200 0.180 0.000 0.876 214 S HN 0.365 nan 8.310 nan 0.000 0.448 215 V N 1.621 121.452 119.914 -0.138 0.000 2.358 215 V HA -0.118 4.003 4.120 0.002 0.000 0.246 215 V C 2.668 178.621 176.094 -0.234 0.000 1.047 215 V CA 1.817 63.884 62.300 -0.388 0.000 1.035 215 V CB -1.668 29.823 31.823 -0.553 0.000 0.658 215 V HN 0.577 nan 8.190 nan 0.000 0.452 216 G N 0.277 109.068 108.800 -0.015 0.000 2.476 216 G HA2 -0.282 3.679 3.960 0.002 0.000 0.218 216 G HA3 -0.282 3.679 3.960 0.002 0.000 0.218 216 G C 1.591 176.611 174.900 0.200 0.000 1.164 216 G CA 1.402 46.611 45.100 0.183 0.000 0.768 216 G HN 0.492 nan 8.290 nan 0.000 0.560 217 I N 1.365 122.019 120.570 0.139 0.000 2.179 217 I HA -0.166 4.005 4.170 0.002 0.000 0.242 217 I C 3.317 179.432 176.117 -0.003 0.000 1.088 217 I CA 0.991 62.284 61.300 -0.011 0.000 1.357 217 I CB -0.258 37.733 38.000 -0.013 0.000 1.051 217 I HN 0.255 nan 8.210 nan 0.000 0.409 218 A N 1.367 124.173 122.820 -0.025 0.000 1.883 218 A HA -0.190 4.131 4.320 0.002 0.000 0.217 218 A C 2.153 179.807 177.584 0.118 0.000 1.186 218 A CA 2.084 54.150 52.037 0.049 0.000 0.624 218 A CB -0.894 18.039 19.000 -0.111 0.000 0.822 218 A HN 0.637 nan 8.150 nan 0.000 0.444 219 I N -4.734 115.772 120.570 -0.108 0.000 3.861 219 I HA 0.237 4.408 4.170 0.002 0.000 0.329 219 I C 1.771 178.000 176.117 0.187 0.000 1.321 219 I CA -0.041 61.207 61.300 -0.087 0.000 1.126 219 I CB -0.211 37.600 38.000 -0.314 0.000 1.018 219 I HN 0.224 nan 8.210 nan 0.000 0.407 220 Y N 2.888 123.221 120.300 0.055 0.000 2.151 220 Y HA -0.311 4.240 4.550 0.002 0.000 0.284 220 Y C 1.900 177.831 175.900 0.053 0.000 1.166 220 Y CA 2.177 60.282 58.100 0.008 0.000 1.163 220 Y CB -0.195 38.169 38.460 -0.160 0.000 0.974 220 Y HN 0.299 nan 8.280 nan 0.000 0.511 221 D N -0.285 120.203 120.400 0.146 0.000 2.178 221 D HA -0.144 4.497 4.640 0.002 0.000 0.201 221 D C 1.786 178.139 176.300 0.088 0.000 0.980 221 D CA 1.706 55.761 54.000 0.092 0.000 0.842 221 D CB -0.121 40.800 40.800 0.201 0.000 0.948 221 D HN 0.484 nan 8.370 nan 0.000 0.472 222 E N -1.421 118.892 120.200 0.189 0.000 2.340 222 E HA 0.181 4.532 4.350 0.002 0.000 0.198 222 E C -0.011 176.739 176.600 0.250 0.000 0.961 222 E CA 0.047 56.583 56.400 0.226 0.000 0.905 222 E CB 0.446 30.343 29.700 0.327 0.000 0.884 222 E HN 0.128 nan 8.360 nan 0.000 0.491 223 F N 1.001 120.952 119.950 0.001 0.000 2.824 223 F HA 0.283 4.811 4.527 0.002 0.000 0.368 223 F C -2.295 173.488 175.800 -0.028 0.000 1.398 223 F CA -2.011 55.992 58.000 0.004 0.000 1.142 223 F CB 1.430 40.463 39.000 0.054 0.000 1.997 223 F HN -0.124 nan 8.300 nan 0.000 0.598 224 P HA -0.209 nan 4.420 nan 0.000 0.223 224 P C 1.395 178.607 177.300 -0.146 0.000 1.144 224 P CA 1.223 64.083 63.100 -0.399 0.000 0.783 224 P CB 0.226 31.515 31.700 -0.685 0.000 0.771 225 E N -0.041 119.898 120.200 -0.435 0.000 2.070 225 E HA -0.226 4.125 4.350 0.002 0.000 0.197 225 E C 2.078 178.657 176.600 -0.034 0.000 1.004 225 E CA 1.308 57.502 56.400 -0.344 0.000 0.805 225 E CB -0.466 28.823 29.700 -0.686 0.000 0.744 225 E HN 0.117 nan 8.360 nan 0.000 0.451 226 M N -0.372 119.286 119.600 0.096 0.000 2.065 226 M HA -0.230 4.251 4.480 0.002 0.000 0.259 226 M C 2.214 178.676 176.300 0.270 0.000 1.069 226 M CA 1.923 57.444 55.300 0.367 0.000 1.110 226 M CB -0.339 32.492 32.600 0.384 0.000 1.328 226 M HN 0.284 nan 8.290 nan 0.000 0.405 227 Y N 1.225 121.621 120.300 0.160 0.000 2.128 227 Y HA -0.303 4.248 4.550 0.002 0.000 0.284 227 Y C 2.004 177.975 175.900 0.119 0.000 1.154 227 Y CA 2.219 60.404 58.100 0.141 0.000 1.149 227 Y CB -0.483 38.099 38.460 0.203 0.000 0.976 227 Y HN 0.377 nan 8.280 nan 0.000 0.505 228 N N 0.435 119.271 118.700 0.226 0.000 2.149 228 N HA -0.199 4.542 4.740 0.002 0.000 0.188 228 N C 1.820 177.322 175.510 -0.013 0.000 1.019 228 N CA 1.853 54.959 53.050 0.092 0.000 0.857 228 N CB -0.499 38.051 38.487 0.105 0.000 0.997 228 N HN 0.436 nan 8.380 nan 0.000 0.426 229 L N 0.095 121.322 121.223 0.008 0.000 2.049 229 L HA 0.032 4.373 4.340 0.002 0.000 0.203 229 L C 2.434 179.303 176.870 -0.001 0.000 1.074 229 L CA 0.942 55.778 54.840 -0.007 0.000 0.749 229 L CB -0.503 41.538 42.059 -0.030 0.000 0.907 229 L HN 0.067 nan 8.230 nan 0.000 0.439 230 A N 0.249 123.073 122.820 0.007 0.000 1.845 230 A HA -0.165 4.156 4.320 0.002 0.000 0.215 230 A C 2.477 180.020 177.584 -0.069 0.000 1.195 230 A CA 1.862 53.892 52.037 -0.012 0.000 0.616 230 A CB -0.937 18.066 19.000 0.004 0.000 0.832 230 A HN 0.372 nan 8.150 nan 0.000 0.443 231 A N -0.644 122.031 122.820 -0.242 0.000 1.969 231 A HA 0.169 4.490 4.320 0.002 0.000 0.218 231 A C 2.359 180.012 177.584 0.116 0.000 1.169 231 A CA 1.852 53.788 52.037 -0.169 0.000 0.635 231 A CB -1.329 17.182 19.000 -0.816 0.000 0.810 231 A HN 0.731 nan 8.150 nan 0.000 0.445 232 G N -0.367 108.427 108.800 -0.010 0.000 2.459 232 G HA2 -0.283 3.678 3.960 0.002 0.000 0.217 232 G HA3 -0.283 3.678 3.960 0.002 0.000 0.217 232 G C 1.744 176.704 174.900 0.100 0.000 1.183 232 G CA 1.074 46.205 45.100 0.052 0.000 0.776 232 G HN 0.552 nan 8.290 nan 0.000 0.552 233 R N -0.701 119.847 120.500 0.079 0.000 2.105 233 R HA -0.086 4.255 4.340 0.002 0.000 0.239 233 R C 2.283 178.673 176.300 0.149 0.000 1.135 233 R CA 1.526 57.690 56.100 0.107 0.000 0.967 233 R CB -0.455 29.912 30.300 0.111 0.000 0.861 233 R HN 0.373 nan 8.270 nan 0.000 0.442 234 F N 0.191 120.109 119.950 -0.053 0.000 2.102 234 F HA -0.162 4.365 4.527 0.002 0.000 0.298 234 F C 1.510 177.225 175.800 -0.143 0.000 1.105 234 F CA 1.575 59.467 58.000 -0.179 0.000 1.239 234 F CB -0.412 38.384 39.000 -0.340 0.000 0.991 234 F HN -0.050 nan 8.300 nan 0.000 0.474 235 F N 0.851 120.743 119.950 -0.096 0.000 2.206 235 F HA -0.074 4.454 4.527 0.002 0.000 0.298 235 F C 2.287 177.985 175.800 -0.170 0.000 1.090 235 F CA 1.442 59.335 58.000 -0.178 0.000 1.323 235 F CB -0.507 38.492 39.000 -0.002 0.000 1.028 235 F HN -0.126 nan 8.300 nan 0.000 0.492 236 K N -0.321 120.118 120.400 0.064 0.000 2.103 236 K HA -0.092 4.229 4.320 0.002 0.000 0.204 236 K C 1.486 178.049 176.600 -0.061 0.000 1.052 236 K CA 1.525 57.816 56.287 0.007 0.000 0.945 236 K CB -0.016 32.497 32.500 0.022 0.000 0.722 236 K HN 0.350 nan 8.250 nan 0.000 0.443 237 E N -1.263 118.897 120.200 -0.067 0.000 2.870 237 E HA 0.083 4.434 4.350 0.002 0.000 0.185 237 E C 1.942 178.455 176.600 -0.145 0.000 1.084 237 E CA -0.257 56.090 56.400 -0.089 0.000 1.246 237 E CB 0.014 29.694 29.700 -0.032 0.000 1.382 237 E HN 0.252 nan 8.360 nan 0.000 0.492 238 H N 0.987 119.911 119.070 -0.243 0.000 2.289 238 H HA -0.143 4.413 4.556 0.002 0.000 0.296 238 H C 2.389 177.460 175.328 -0.428 0.000 1.091 238 H CA 1.365 57.267 56.048 -0.244 0.000 1.274 238 H CB 0.032 29.717 29.762 -0.129 0.000 1.364 238 H HN 0.035 nan 8.280 nan 0.000 0.490 239 L N 0.945 121.727 121.223 -0.735 0.000 2.056 239 L HA -0.122 4.219 4.340 0.002 0.000 0.207 239 L C 2.444 179.069 176.870 -0.410 0.000 1.078 239 L CA 1.038 55.399 54.840 -0.797 0.000 0.749 239 L CB -0.569 40.784 42.059 -1.177 0.000 0.901 239 L HN -0.028 nan 8.230 nan 0.000 0.433 240 V N 0.006 119.736 119.914 -0.306 0.000 2.295 240 V HA -0.301 3.820 4.120 0.002 0.000 0.246 240 V C 2.783 178.784 176.094 -0.155 0.000 1.049 240 V CA 1.682 63.866 62.300 -0.194 0.000 1.024 240 V CB -1.349 30.375 31.823 -0.166 0.000 0.648 240 V HN 0.599 nan 8.190 nan 0.000 0.447 241 A N -0.200 122.529 122.820 -0.152 0.000 1.902 241 A HA -0.225 4.096 4.320 0.002 0.000 0.217 241 A C 2.368 179.938 177.584 -0.023 0.000 1.181 241 A CA 1.936 53.952 52.037 -0.035 0.000 0.623 241 A CB -0.455 18.539 19.000 -0.010 0.000 0.818 241 A HN 0.509 nan 8.150 nan 0.000 0.443 242 R N -0.497 119.826 120.500 -0.296 0.000 2.062 242 R HA -0.056 4.285 4.340 0.002 0.000 0.229 242 R C 1.895 177.506 176.300 -1.148 0.000 1.128 242 R CA 1.310 56.849 56.100 -0.934 0.000 0.960 242 R CB -0.305 29.589 30.300 -0.677 0.000 0.855 242 R HN 0.465 nan 8.270 nan 0.000 0.432 243 N N -0.037 118.306 118.700 -0.595 0.000 2.205 243 N HA -0.216 4.525 4.740 0.002 0.000 0.186 243 N C 1.182 176.608 175.510 -0.141 0.000 1.015 243 N CA 0.973 53.834 53.050 -0.315 0.000 0.862 243 N CB -0.299 38.102 38.487 -0.142 0.000 0.986 243 N HN 0.335 nan 8.380 nan 0.000 0.429 244 W N 1.521 122.648 121.300 -0.288 0.000 2.363 244 W HA -0.167 4.494 4.660 0.002 0.000 0.296 244 W C 1.593 178.065 176.519 -0.077 0.000 1.212 244 W CA 1.275 58.523 57.345 -0.162 0.000 1.260 244 W CB -0.408 28.967 29.460 -0.142 0.000 1.131 244 W HN 0.134 nan 8.180 nan 0.000 0.530 245 F N -3.855 116.015 119.950 -0.133 0.000 2.717 245 F HA 0.233 4.761 4.527 0.002 0.000 0.297 245 F C 1.533 177.360 175.800 0.045 0.000 1.113 245 F CA -0.433 57.383 58.000 -0.306 0.000 1.319 245 F CB -1.567 37.233 39.000 -0.333 0.000 1.097 245 F HN -0.214 nan 8.300 nan 0.000 0.595 246 Y N 2.283 122.386 120.300 -0.328 0.000 2.139 246 Y HA -0.063 4.488 4.550 0.002 0.000 0.282 246 Y C -0.540 175.360 175.900 -0.001 0.000 1.179 246 Y CA 0.895 58.922 58.100 -0.122 0.000 1.161 246 Y CB -2.428 35.947 38.460 -0.141 0.000 0.970 246 Y HN 0.137 nan 8.280 nan 0.000 0.511 247 P HA -0.082 nan 4.420 nan 0.000 0.223 247 P C 1.236 178.284 177.300 -0.421 0.000 1.144 247 P CA 1.798 64.835 63.100 -0.106 0.000 0.783 247 P CB 0.038 31.676 31.700 -0.103 0.000 0.771 248 S N -2.444 113.112 115.700 -0.240 0.000 2.577 248 S HA 0.061 4.532 4.470 0.002 0.000 0.219 248 S C 0.002 174.482 174.600 -0.201 0.000 0.962 248 S CA -0.255 57.773 58.200 -0.287 0.000 0.921 248 S CB -1.043 62.100 63.200 -0.095 0.000 0.789 248 S HN 0.367 nan 8.310 nan 0.000 0.497 249 H N 0.367 119.410 119.070 -0.045 0.000 2.819 249 H HA -0.153 4.404 4.556 0.002 0.000 0.315 249 H C -0.029 175.143 175.328 -0.261 0.000 1.242 249 H CA 0.373 56.338 56.048 -0.139 0.000 1.157 249 H CB -1.615 28.066 29.762 -0.134 0.000 1.451 249 H HN 0.419 nan 8.280 nan 0.000 0.430 250 N N -1.270 117.281 118.700 -0.247 0.000 3.039 250 N HA 0.582 5.323 4.740 0.002 0.000 0.257 250 N C -1.660 173.574 175.510 -0.460 0.000 1.497 250 N CA -0.707 52.003 53.050 -0.568 0.000 0.861 250 N CB 1.945 39.723 38.487 -1.181 0.000 1.479 250 N HN 0.130 nan 8.380 nan 0.000 0.547 251 Y N -0.565 119.390 120.300 -0.575 0.000 2.581 251 Y HA 0.286 4.837 4.550 0.002 0.000 0.345 251 Y C -0.047 175.628 175.900 -0.373 0.000 1.036 251 Y CA -0.366 57.435 58.100 -0.498 0.000 1.042 251 Y CB 1.341 39.535 38.460 -0.443 0.000 1.289 251 Y HN 0.772 nan 8.280 nan 0.000 0.471 252 H N -1.689 117.236 119.070 -0.242 0.000 2.672 252 H HA 0.307 4.864 4.556 0.002 0.000 0.277 252 H C 0.185 175.547 175.328 0.057 0.000 1.074 252 H CA -0.104 55.864 56.048 -0.132 0.000 1.173 252 H CB 0.439 29.638 29.762 -0.939 0.000 1.558 252 H HN 0.381 nan 8.280 nan 0.000 0.539 253 Q N 1.392 121.226 119.800 0.057 0.000 2.220 253 Q HA 0.297 4.638 4.340 0.002 0.000 0.205 253 Q C 0.579 176.654 176.000 0.125 0.000 0.865 253 Q CA 0.518 56.420 55.803 0.165 0.000 0.960 253 Q CB 0.956 29.814 28.738 0.199 0.000 1.097 253 Q HN 0.735 nan 8.270 nan 0.000 0.493 254 G N 1.042 109.872 108.800 0.050 0.000 2.757 254 G HA2 -0.225 3.736 3.960 0.002 0.000 0.638 254 G HA3 -0.225 3.736 3.960 0.002 0.000 0.638 254 G C 0.352 175.259 174.900 0.010 0.000 1.344 254 G CA -0.289 44.796 45.100 -0.024 0.000 0.855 254 G HN 0.097 nan 8.290 nan 0.000 0.537 255 M N 0.261 119.865 119.600 0.007 0.000 2.561 255 M HA 0.162 4.643 4.480 0.002 0.000 0.238 255 M C 2.219 178.610 176.300 0.152 0.000 1.131 255 M CA 1.339 56.684 55.300 0.074 0.000 1.046 255 M CB -0.539 32.108 32.600 0.079 0.000 1.532 255 M HN 0.442 nan 8.290 nan 0.000 0.497 256 S N -0.991 114.740 115.700 0.051 0.000 2.444 256 S HA 0.084 4.555 4.470 0.002 0.000 0.223 256 S C 1.540 176.065 174.600 -0.125 0.000 1.054 256 S CA 0.257 58.423 58.200 -0.056 0.000 0.947 256 S CB -0.061 63.019 63.200 -0.200 0.000 0.850 256 S HN 0.389 nan 8.310 nan 0.000 0.527 257 Y N 1.973 122.229 120.300 -0.073 0.000 2.561 257 Y HA 0.116 4.667 4.550 0.002 0.000 0.291 257 Y C 1.951 177.821 175.900 -0.050 0.000 1.141 257 Y CA -0.105 57.949 58.100 -0.078 0.000 1.303 257 Y CB -0.264 38.095 38.460 -0.168 0.000 1.015 257 Y HN 0.181 nan 8.280 nan 0.000 0.547 258 L N 0.567 121.823 121.223 0.055 0.000 2.051 258 L HA -0.323 4.018 4.340 0.002 0.000 0.214 258 L C 2.112 178.980 176.870 -0.003 0.000 1.076 258 L CA 1.843 56.633 54.840 -0.083 0.000 0.758 258 L CB -0.843 41.161 42.059 -0.092 0.000 0.890 258 L HN 0.217 nan 8.230 nan 0.000 0.433 259 N N -0.482 118.306 118.700 0.148 0.000 2.013 259 N HA -0.210 4.531 4.740 0.002 0.000 0.195 259 N C 1.949 177.510 175.510 0.086 0.000 1.051 259 N CA 2.052 55.217 53.050 0.192 0.000 0.851 259 N CB -0.602 37.992 38.487 0.180 0.000 1.044 259 N HN 0.364 nan 8.380 nan 0.000 0.422 260 V N 2.002 121.949 119.914 0.055 0.000 2.427 260 V HA -0.134 3.987 4.120 0.002 0.000 0.248 260 V C 2.401 178.413 176.094 -0.136 0.000 1.051 260 V CA 1.419 63.703 62.300 -0.027 0.000 1.048 260 V CB -0.214 31.660 31.823 0.085 0.000 0.666 260 V HN 0.279 nan 8.190 nan 0.000 0.456 261 R N -0.799 119.673 120.500 -0.046 0.000 2.062 261 R HA -0.060 4.281 4.340 0.002 0.000 0.229 261 R C 2.082 178.327 176.300 -0.091 0.000 1.128 261 R CA 1.776 57.844 56.100 -0.053 0.000 0.960 261 R CB -1.347 28.933 30.300 -0.033 0.000 0.855 261 R HN 0.588 nan 8.270 nan 0.000 0.432 262 F N 2.124 121.812 119.950 -0.436 0.000 2.206 262 F HA -0.078 4.449 4.527 0.001 0.000 0.298 262 F C 2.040 177.755 175.800 -0.142 0.000 1.090 262 F CA 1.145 58.922 58.000 -0.371 0.000 1.323 262 F CB -0.616 38.108 39.000 -0.459 0.000 1.028 262 F HN -0.047 nan 8.300 nan 0.000 0.492 263 T N 0.863 115.334 114.554 -0.139 0.000 2.653 263 T HA -0.251 4.100 4.350 0.002 0.000 0.268 263 T C 1.875 176.534 174.700 -0.068 0.000 1.035 263 T CA 1.870 63.889 62.100 -0.134 0.000 1.154 263 T CB -0.373 68.459 68.868 -0.060 0.000 0.862 263 T HN 0.299 nan 8.240 nan 0.000 0.441 264 N N 0.823 119.428 118.700 -0.157 0.000 2.244 264 N HA -0.094 4.647 4.740 0.002 0.000 0.183 264 N C 1.493 177.063 175.510 0.099 0.000 1.016 264 N CA 1.048 54.056 53.050 -0.069 0.000 0.866 264 N CB -0.338 37.996 38.487 -0.255 0.000 0.980 264 N HN 0.385 nan 8.380 nan 0.000 0.430 265 D N 1.223 121.691 120.400 0.113 0.000 2.133 265 D HA -0.119 4.522 4.640 0.002 0.000 0.195 265 D C 2.092 178.383 176.300 -0.015 0.000 0.997 265 D CA 0.718 54.823 54.000 0.174 0.000 0.840 265 D CB -0.340 40.595 40.800 0.224 0.000 0.947 265 D HN 0.256 nan 8.370 nan 0.000 0.452 266 L N -0.848 120.248 121.223 -0.211 0.000 2.156 266 L HA -0.047 4.294 4.340 0.002 0.000 0.208 266 L C 2.198 179.028 176.870 -0.066 0.000 1.095 266 L CA 0.314 54.998 54.840 -0.259 0.000 0.770 266 L CB -0.272 41.532 42.059 -0.425 0.000 0.914 266 L HN -0.046 nan 8.230 nan 0.000 0.439 267 F N 0.368 120.300 119.950 -0.031 0.000 2.102 267 F HA -0.271 4.257 4.527 0.001 0.000 0.298 267 F C 2.647 178.467 175.800 0.034 0.000 1.105 267 F CA 1.498 59.518 58.000 0.033 0.000 1.239 267 F CB -0.498 38.497 39.000 -0.008 0.000 0.991 267 F HN 0.025 nan 8.300 nan 0.000 0.474 268 A N -0.015 122.914 122.820 0.181 0.000 1.892 268 A HA -0.237 4.084 4.320 0.002 0.000 0.218 268 A C 2.087 179.693 177.584 0.037 0.000 1.188 268 A CA 1.893 53.918 52.037 -0.021 0.000 0.631 268 A CB -1.235 17.641 19.000 -0.207 0.000 0.822 268 A HN 0.402 nan 8.150 nan 0.000 0.447 269 L N -1.523 119.812 121.223 0.188 0.000 1.971 269 L HA -0.180 4.161 4.340 0.002 0.000 0.215 269 L C 2.271 178.969 176.870 -0.286 0.000 1.072 269 L CA 2.322 57.144 54.840 -0.029 0.000 0.758 269 L CB -0.807 41.058 42.059 -0.323 0.000 0.889 269 L HN 0.582 nan 8.230 nan 0.000 0.433 270 W N -0.322 120.713 121.300 -0.441 0.000 2.381 270 W HA -0.112 4.549 4.660 0.002 0.000 0.301 270 W C 2.501 178.790 176.519 -0.382 0.000 1.205 270 W CA 1.452 58.390 57.345 -0.678 0.000 1.285 270 W CB -0.204 28.325 29.460 -1.551 0.000 1.133 270 W HN 0.131 nan 8.180 nan 0.000 0.521 271 I N -0.137 120.506 120.570 0.121 0.000 2.163 271 I HA -0.353 3.818 4.170 0.002 0.000 0.243 271 I C 2.195 178.419 176.117 0.178 0.000 1.085 271 I CA 1.380 62.872 61.300 0.319 0.000 1.347 271 I CB -0.768 37.458 38.000 0.377 0.000 1.044 271 I HN -0.039 nan 8.210 nan 0.000 0.408 272 L N -0.100 121.167 121.223 0.074 0.000 2.093 272 L HA -0.218 4.123 4.340 0.002 0.000 0.208 272 L C 2.387 179.300 176.870 0.072 0.000 1.085 272 L CA 1.210 56.091 54.840 0.068 0.000 0.755 272 L CB -0.665 41.426 42.059 0.054 0.000 0.904 272 L HN 0.356 nan 8.230 nan 0.000 0.435 273 D N 0.237 120.663 120.400 0.043 0.000 2.097 273 D HA -0.190 4.451 4.640 0.002 0.000 0.195 273 D C 2.210 178.549 176.300 0.064 0.000 0.989 273 D CA 1.081 55.111 54.000 0.050 0.000 0.827 273 D CB 0.170 40.989 40.800 0.032 0.000 0.966 273 D HN 0.083 nan 8.370 nan 0.000 0.456 274 R N 0.220 120.783 120.500 0.106 0.000 2.193 274 R HA -0.060 4.280 4.340 0.002 0.000 0.229 274 R C 2.209 178.591 176.300 0.136 0.000 1.110 274 R CA 0.253 56.457 56.100 0.173 0.000 0.988 274 R CB -0.678 29.825 30.300 0.337 0.000 0.871 274 R HN 0.411 nan 8.270 nan 0.000 0.458 275 M N -0.898 118.762 119.600 0.100 0.000 2.319 275 M HA -0.053 4.428 4.480 0.002 0.000 0.265 275 M C 0.584 176.869 176.300 -0.025 0.000 1.068 275 M CA 1.843 57.156 55.300 0.021 0.000 1.118 275 M CB 0.315 32.908 32.600 -0.011 0.000 1.395 275 M HN 0.344 nan 8.290 nan 0.000 0.435 276 G N -1.293 107.510 108.800 0.005 0.000 2.198 276 G HA2 -0.114 3.847 3.960 0.002 0.000 0.156 276 G HA3 -0.114 3.847 3.960 0.002 0.000 0.156 276 G C 0.480 175.402 174.900 0.035 0.000 1.012 276 G CA 0.142 45.243 45.100 0.002 0.000 0.692 276 G HN 0.571 nan 8.290 nan 0.000 0.492 277 A N 0.225 123.079 122.820 0.056 0.000 2.307 277 A HA 0.647 4.968 4.320 0.002 0.000 0.218 277 A C 2.168 179.943 177.584 0.319 0.000 1.228 277 A CA 1.583 53.721 52.037 0.169 0.000 0.857 277 A CB -0.489 18.545 19.000 0.056 0.000 0.897 277 A HN 2.454 nan 8.150 nan 0.000 0.495 278 G N 0.495 109.408 108.800 0.188 0.000 2.575 278 G HA2 -0.301 3.660 3.960 0.002 0.000 0.267 278 G HA3 -0.301 3.660 3.960 0.002 0.000 0.267 278 G C -0.082 174.920 174.900 0.169 0.000 1.264 278 G CA 0.040 45.235 45.100 0.158 0.000 0.935 278 G HN 0.805 nan 8.290 nan 0.000 0.568 279 N N 0.602 119.405 118.700 0.172 0.000 2.408 279 N HA 0.342 5.083 4.740 0.002 0.000 0.257 279 N C 1.502 177.118 175.510 0.177 0.000 1.064 279 N CA 0.336 53.484 53.050 0.164 0.000 0.952 279 N CB 1.325 39.937 38.487 0.208 0.000 1.093 279 N HN 1.323 nan 8.380 nan 0.000 0.490 280 V N 1.424 121.425 119.914 0.144 0.000 3.406 280 V HA 0.365 4.486 4.120 0.002 0.000 0.263 280 V C 0.431 176.494 176.094 -0.052 0.000 1.172 280 V CA 0.449 62.811 62.300 0.103 0.000 1.140 280 V CB -1.050 30.823 31.823 0.084 0.000 0.784 280 V HN 0.254 nan 8.190 nan 0.000 0.467 281 F N 1.478 121.496 119.950 0.114 0.000 2.403 281 F HA 0.421 4.949 4.527 0.002 0.000 0.326 281 F C 0.855 176.745 175.800 0.150 0.000 1.081 281 F CA -1.067 57.003 58.000 0.116 0.000 1.041 281 F CB 0.437 39.577 39.000 0.232 0.000 1.234 281 F HN -0.047 nan 8.300 nan 0.000 0.503 282 N N 3.223 122.145 118.700 0.371 0.000 2.411 282 N HA -0.009 4.732 4.740 0.002 0.000 0.265 282 N C -2.028 173.691 175.510 0.350 0.000 1.266 282 N CA -0.794 52.434 53.050 0.295 0.000 0.889 282 N CB 1.078 39.707 38.487 0.237 0.000 1.069 282 N HN 0.189 nan 8.380 nan 0.000 0.476 283 P HA 0.032 nan 4.420 nan 0.000 0.239 283 P C 1.086 178.412 177.300 0.044 0.000 1.184 283 P CA 0.423 63.657 63.100 0.222 0.000 0.760 283 P CB -0.070 31.774 31.700 0.240 0.000 0.884 284 G N 0.272 109.172 108.800 0.166 0.000 2.479 284 G HA2 -0.303 3.658 3.960 0.002 0.000 0.220 284 G HA3 -0.303 3.658 3.960 0.002 0.000 0.220 284 G C 1.532 176.394 174.900 -0.063 0.000 1.115 284 G CA 0.292 45.531 45.100 0.231 0.000 0.757 284 G HN 0.298 nan 8.290 nan 0.000 0.560 285 Q N -0.196 119.472 119.800 -0.220 0.000 2.242 285 Q HA -0.307 4.033 4.340 0.002 0.000 0.211 285 Q C 2.442 178.123 176.000 -0.533 0.000 0.992 285 Q CA 1.987 57.471 55.803 -0.533 0.000 0.889 285 Q CB -0.210 28.383 28.738 -0.242 0.000 0.913 285 Q HN 0.735 nan 8.270 nan 0.000 0.422 286 Q N -0.811 118.364 119.800 -1.041 0.000 2.181 286 Q HA -0.174 4.167 4.340 0.002 0.000 0.205 286 Q C 0.893 176.335 176.000 -0.930 0.000 0.980 286 Q CA 1.544 56.526 55.803 -1.368 0.000 0.862 286 Q CB -0.008 27.534 28.738 -1.994 0.000 0.905 286 Q HN 0.500 nan 8.270 nan 0.000 0.429 287 F N -0.942 118.718 119.950 -0.482 0.000 2.695 287 F HA 0.203 4.731 4.527 0.001 0.000 0.303 287 F C 1.535 177.141 175.800 -0.325 0.000 1.091 287 F CA -0.336 57.293 58.000 -0.618 0.000 1.300 287 F CB 0.275 38.511 39.000 -1.274 0.000 1.071 287 F HN 0.014 nan 8.300 nan 0.000 0.578 288 I N -0.047 120.415 120.570 -0.179 0.000 2.208 288 I HA -0.285 3.886 4.170 0.002 0.000 0.245 288 I C 2.241 178.262 176.117 -0.160 0.000 1.097 288 I CA 1.312 62.455 61.300 -0.263 0.000 1.363 288 I CB -0.237 37.340 38.000 -0.706 0.000 1.051 288 I HN 0.171 nan 8.210 nan 0.000 0.413 289 L N -0.554 120.663 121.223 -0.009 0.000 2.552 289 L HA -0.092 4.248 4.340 0.002 0.000 0.227 289 L C 1.969 178.902 176.870 0.104 0.000 1.146 289 L CA 1.237 56.094 54.840 0.029 0.000 0.858 289 L CB -0.622 41.536 42.059 0.165 0.000 0.969 289 L HN 0.107 nan 8.230 nan 0.000 0.451 290 Y N -0.477 119.829 120.300 0.010 0.000 2.315 290 Y HA -0.270 4.281 4.550 0.002 0.000 0.288 290 Y C 2.361 178.362 175.900 0.169 0.000 1.154 290 Y CA 1.621 59.787 58.100 0.109 0.000 1.229 290 Y CB -0.598 37.931 38.460 0.116 0.000 0.980 290 Y HN 0.391 nan 8.280 nan 0.000 0.540 291 D N -0.468 120.033 120.400 0.169 0.000 2.123 291 D HA -0.198 4.443 4.640 0.002 0.000 0.196 291 D C 2.262 178.613 176.300 0.085 0.000 0.992 291 D CA 1.392 55.442 54.000 0.084 0.000 0.833 291 D CB -0.170 40.605 40.800 -0.043 0.000 0.954 291 D HN 0.228 nan 8.370 nan 0.000 0.455 292 A N 0.176 122.975 122.820 -0.035 0.000 1.902 292 A HA -0.133 4.188 4.320 0.002 0.000 0.217 292 A C 2.413 180.054 177.584 0.095 0.000 1.181 292 A CA 1.220 53.206 52.037 -0.085 0.000 0.623 292 A CB -0.835 17.896 19.000 -0.448 0.000 0.818 292 A HN 0.399 nan 8.150 nan 0.000 0.443 293 I N -2.052 118.591 120.570 0.122 0.000 2.163 293 I HA -0.306 3.865 4.170 0.002 0.000 0.243 293 I C 2.355 178.615 176.117 0.239 0.000 1.085 293 I CA 1.645 63.023 61.300 0.129 0.000 1.347 293 I CB -0.461 37.527 38.000 -0.020 0.000 1.044 293 I HN 0.395 nan 8.210 nan 0.000 0.408 294 Y N 0.893 121.328 120.300 0.224 0.000 2.352 294 Y HA -0.170 4.382 4.550 0.002 0.000 0.292 294 Y C 2.232 178.179 175.900 0.079 0.000 1.136 294 Y CA 1.355 59.598 58.100 0.239 0.000 1.227 294 Y CB -0.194 38.347 38.460 0.135 0.000 0.991 294 Y HN 0.053 nan 8.280 nan 0.000 0.545 295 K N 0.217 120.728 120.400 0.184 0.000 2.404 295 K HA 0.034 4.355 4.320 0.002 0.000 0.194 295 K C 0.502 177.122 176.600 0.032 0.000 1.023 295 K CA -0.189 56.140 56.287 0.070 0.000 1.094 295 K CB 0.210 32.736 32.500 0.043 0.000 0.841 295 K HN 0.032 nan 8.250 nan 0.000 0.523 296 R N 1.887 122.434 120.500 0.080 0.000 2.347 296 R HA 0.090 4.431 4.340 0.002 0.000 0.304 296 R C -0.590 175.684 176.300 -0.043 0.000 1.072 296 R CA -0.133 55.994 56.100 0.046 0.000 0.980 296 R CB 0.529 30.899 30.300 0.117 0.000 0.986 296 R HN -0.020 nan 8.270 nan 0.000 0.448 297 R N 4.597 125.004 120.500 -0.155 0.000 2.543 297 R HA 0.205 4.546 4.340 0.002 0.000 0.268 297 R C -1.705 174.549 176.300 -0.078 0.000 1.067 297 R CA -1.929 53.998 56.100 -0.288 0.000 1.142 297 R CB 0.435 30.386 30.300 -0.582 0.000 1.110 297 R HN 0.524 nan 8.270 nan 0.000 0.549 298 P HA -0.141 nan 4.420 nan 0.000 0.222 298 P C 0.127 177.463 177.300 0.060 0.000 1.147 298 P CA 1.141 64.282 63.100 0.070 0.000 0.790 298 P CB 0.085 31.852 31.700 0.112 0.000 0.780 299 D N -1.915 118.518 120.400 0.055 0.000 2.340 299 D HA 0.094 4.735 4.640 0.002 0.000 0.220 299 D C 1.464 177.769 176.300 0.009 0.000 1.039 299 D CA 0.545 54.575 54.000 0.051 0.000 0.866 299 D CB -0.766 40.088 40.800 0.090 0.000 0.913 299 D HN 0.219 nan 8.370 nan 0.000 0.523 300 G N -0.462 108.328 108.800 -0.017 0.000 2.217 300 G HA2 -0.259 3.702 3.960 0.002 0.000 0.246 300 G HA3 -0.259 3.702 3.960 0.002 0.000 0.246 300 G C 0.295 175.131 174.900 -0.106 0.000 0.990 300 G CA 0.015 45.078 45.100 -0.062 0.000 0.627 300 G HN 0.375 nan 8.290 nan 0.000 0.522 301 Q N 0.115 119.872 119.800 -0.072 0.000 2.237 301 Q HA 0.693 5.034 4.340 0.002 0.000 0.219 301 Q C 0.544 176.509 176.000 -0.059 0.000 0.999 301 Q CA -0.380 55.387 55.803 -0.060 0.000 0.959 301 Q CB 1.055 29.794 28.738 0.002 0.000 1.173 301 Q HN 0.359 nan 8.270 nan 0.000 0.527 302 I N 1.283 121.848 120.570 -0.008 0.000 2.493 302 I HA 0.206 4.376 4.170 0.002 0.000 0.298 302 I C 0.177 176.311 176.117 0.029 0.000 0.998 302 I CA -1.213 60.104 61.300 0.028 0.000 1.137 302 I CB 1.129 39.207 38.000 0.129 0.000 1.310 302 I HN 0.477 nan 8.210 nan 0.000 0.445 303 L N 4.243 125.462 121.223 -0.007 0.000 2.559 303 L HA 0.118 4.459 4.340 0.002 0.000 0.282 303 L C 0.793 177.704 176.870 0.069 0.000 1.232 303 L CA 0.526 55.376 54.840 0.017 0.000 0.885 303 L CB 0.383 42.437 42.059 -0.010 0.000 1.131 303 L HN 0.812 nan 8.230 nan 0.000 0.498 304 A N 3.150 126.046 122.820 0.126 0.000 2.386 304 A HA 0.664 4.985 4.320 0.002 0.000 0.246 304 A C 0.337 177.948 177.584 0.044 0.000 1.089 304 A CA 0.349 52.486 52.037 0.168 0.000 0.790 304 A CB 0.060 19.253 19.000 0.323 0.000 1.042 304 A HN 1.191 nan 8.150 nan 0.000 0.497 305 G N -1.165 107.638 108.800 0.004 0.000 2.318 305 G HA2 0.647 4.607 3.960 0.002 0.000 0.306 305 G HA3 0.647 4.607 3.960 0.002 0.000 0.306 305 G C 0.190 174.946 174.900 -0.241 0.000 1.696 305 G CA 0.470 45.483 45.100 -0.144 0.000 0.905 305 G HN 2.562 nan 8.290 nan 0.000 0.700 306 G N 1.596 110.060 108.800 -0.561 0.000 2.601 306 G HA2 -0.085 3.876 3.960 0.002 0.000 0.261 306 G HA3 -0.085 3.876 3.960 0.002 0.000 0.261 306 G C -0.299 174.211 174.900 -0.650 0.000 1.289 306 G CA 0.229 44.798 45.100 -0.884 0.000 0.920 306 G HN 1.052 nan 8.290 nan 0.000 0.571 307 D N 1.362 121.640 120.400 -0.204 0.000 2.348 307 D HA 0.425 5.066 4.640 0.002 0.000 0.259 307 D C 0.749 177.054 176.300 0.008 0.000 1.296 307 D CA 0.995 55.034 54.000 0.065 0.000 0.931 307 D CB 0.604 41.262 40.800 -0.236 0.000 1.067 307 D HN 1.167 nan 8.370 nan 0.000 0.503 308 V N -0.233 119.838 119.914 0.263 0.000 3.007 308 V HA 0.638 4.759 4.120 0.002 0.000 0.311 308 V C -0.434 175.578 176.094 -0.136 0.000 1.120 308 V CA -0.978 61.348 62.300 0.043 0.000 0.980 308 V CB 3.016 34.837 31.823 -0.004 0.000 1.033 308 V HN 0.049 nan 8.190 nan 0.000 0.429 309 D N 0.437 120.678 120.400 -0.264 0.000 2.506 309 D HA 0.644 5.285 4.640 0.002 0.000 0.254 309 D C -1.431 174.503 176.300 -0.609 0.000 1.089 309 D CA 0.044 53.758 54.000 -0.476 0.000 1.050 309 D CB 1.962 42.700 40.800 -0.103 0.000 1.221 309 D HN 0.710 nan 8.370 nan 0.000 0.589 310 Y N -0.620 119.732 120.300 0.087 0.000 2.462 310 Y HA 0.509 5.060 4.550 0.002 0.000 0.346 310 Y C 0.168 176.098 175.900 0.050 0.000 0.976 310 Y CA -0.819 57.324 58.100 0.072 0.000 1.044 310 Y CB 2.226 40.738 38.460 0.087 0.000 1.230 310 Y HN 0.092 nan 8.280 nan 0.000 0.455 311 S N 1.266 117.078 115.700 0.185 0.000 2.564 311 S HA 0.560 5.031 4.470 0.002 0.000 0.274 311 S C -0.320 174.333 174.600 0.088 0.000 1.124 311 S CA -0.856 57.410 58.200 0.108 0.000 0.869 311 S CB 1.199 64.433 63.200 0.057 0.000 1.105 311 S HN 0.716 nan 8.310 nan 0.000 0.472 312 R N 2.172 122.713 120.500 0.068 0.000 2.509 312 R HA 0.309 4.650 4.340 0.002 0.000 0.300 312 R C 0.804 177.124 176.300 0.032 0.000 0.985 312 R CA -0.064 56.067 56.100 0.051 0.000 1.092 312 R CB 0.033 30.365 30.300 0.055 0.000 1.237 312 R HN 0.568 nan 8.270 nan 0.000 0.546 313 K N 0.546 120.964 120.400 0.028 0.000 2.054 313 K HA 0.072 4.393 4.320 0.002 0.000 0.207 313 K C 0.005 176.613 176.600 0.014 0.000 1.031 313 K CA 0.867 57.168 56.287 0.023 0.000 0.952 313 K CB 0.201 32.717 32.500 0.027 0.000 0.775 313 K HN -0.240 nan 8.250 nan 0.000 0.447 314 K N 1.295 121.697 120.400 0.002 0.000 2.292 314 K HA 0.320 4.641 4.320 0.002 0.000 0.257 314 K C -2.733 173.813 176.600 -0.091 0.000 0.940 314 K CA -2.417 53.864 56.287 -0.010 0.000 0.811 314 K CB 1.390 33.904 32.500 0.022 0.000 1.120 314 K HN -0.139 nan 8.250 nan 0.000 0.428 315 P HA -0.009 nan 4.420 nan 0.000 0.267 315 P C -0.879 176.030 177.300 -0.652 0.000 1.200 315 P CA -0.248 62.612 63.100 -0.401 0.000 0.772 315 P CB 0.472 31.866 31.700 -0.510 0.000 0.855 316 K N 2.628 122.704 120.400 -0.540 0.000 2.276 316 K HA 0.271 4.592 4.320 0.002 0.000 0.283 316 K C -1.039 175.124 176.600 -0.728 0.000 1.044 316 K CA -0.111 55.864 56.287 -0.520 0.000 0.944 316 K CB 0.147 32.443 32.500 -0.341 0.000 1.012 316 K HN 0.360 nan 8.250 nan 0.000 0.472 317 Y N 2.418 122.539 120.300 -0.298 0.000 2.524 317 Y HA 0.281 4.831 4.550 0.001 0.000 0.344 317 Y C -0.820 174.830 175.900 -0.415 0.000 1.012 317 Y CA -0.934 57.019 58.100 -0.246 0.000 1.068 317 Y CB 1.483 39.882 38.460 -0.101 0.000 1.249 317 Y HN 0.446 nan 8.280 nan 0.000 0.468 318 Y N 0.801 121.246 120.300 0.242 0.000 2.723 318 Y HA 0.172 4.723 4.550 0.002 0.000 0.374 318 Y C 1.267 177.290 175.900 0.206 0.000 1.062 318 Y CA -0.534 57.677 58.100 0.186 0.000 1.321 318 Y CB 0.349 38.901 38.460 0.152 0.000 1.405 318 Y HN 0.699 nan 8.280 nan 0.000 0.583 319 T N -0.212 114.508 114.554 0.277 0.000 2.652 319 T HA -0.247 4.104 4.350 0.002 0.000 0.267 319 T C 2.035 176.931 174.700 0.326 0.000 1.039 319 T CA 1.627 63.902 62.100 0.292 0.000 1.153 319 T CB -0.060 68.918 68.868 0.182 0.000 0.863 319 T HN 0.422 nan 8.240 nan 0.000 0.428 320 M N 1.278 121.022 119.600 0.241 0.000 2.099 320 M HA 0.070 4.551 4.480 0.002 0.000 0.262 320 M C -1.221 175.131 176.300 0.087 0.000 1.067 320 M CA 1.122 56.519 55.300 0.161 0.000 1.124 320 M CB -1.120 31.594 32.600 0.191 0.000 1.353 320 M HN 0.057 nan 8.290 nan 0.000 0.410 321 P HA -0.089 nan 4.420 nan 0.000 0.215 321 P C 1.090 178.439 177.300 0.081 0.000 1.153 321 P CA 2.166 65.288 63.100 0.038 0.000 0.853 321 P CB -0.305 31.501 31.700 0.176 0.000 0.788 322 A N -0.706 122.226 122.820 0.187 0.000 1.933 322 A HA -0.179 4.142 4.320 0.002 0.000 0.218 322 A C 2.125 179.768 177.584 0.098 0.000 1.175 322 A CA 1.479 53.634 52.037 0.198 0.000 0.628 322 A CB -1.669 17.509 19.000 0.297 0.000 0.814 322 A HN 0.162 nan 8.150 nan 0.000 0.444 323 L N -0.200 121.014 121.223 -0.016 0.000 1.994 323 L HA -0.122 4.219 4.340 0.002 0.000 0.208 323 L C 2.272 179.044 176.870 -0.164 0.000 1.071 323 L CA 1.890 56.488 54.840 -0.403 0.000 0.745 323 L CB -0.542 41.166 42.059 -0.583 0.000 0.892 323 L HN 0.397 nan 8.230 nan 0.000 0.431 324 L N -0.834 120.350 121.223 -0.064 0.000 2.044 324 L HA -0.068 4.273 4.340 0.002 0.000 0.205 324 L C 2.645 179.681 176.870 0.276 0.000 1.075 324 L CA 1.057 55.958 54.840 0.100 0.000 0.747 324 L CB -0.920 41.107 42.059 -0.054 0.000 0.903 324 L HN 0.374 nan 8.230 nan 0.000 0.435 325 A N 0.292 123.174 122.820 0.104 0.000 1.897 325 A HA -0.051 4.270 4.320 0.002 0.000 0.215 325 A C 2.377 180.125 177.584 0.274 0.000 1.181 325 A CA 1.485 53.636 52.037 0.190 0.000 0.620 325 A CB -1.155 17.917 19.000 0.120 0.000 0.821 325 A HN 0.417 nan 8.150 nan 0.000 0.443 326 G N -0.681 108.228 108.800 0.182 0.000 2.421 326 G HA2 -0.141 3.820 3.960 0.002 0.000 0.216 326 G HA3 -0.141 3.820 3.960 0.002 0.000 0.216 326 G C 1.818 176.813 174.900 0.159 0.000 1.171 326 G CA 1.361 46.559 45.100 0.163 0.000 0.775 326 G HN 0.484 nan 8.290 nan 0.000 0.543 327 S N -0.701 115.099 115.700 0.166 0.000 2.387 327 S HA -0.032 4.439 4.470 0.002 0.000 0.226 327 S C 1.915 176.664 174.600 0.248 0.000 1.026 327 S CA 0.766 59.085 58.200 0.198 0.000 0.972 327 S CB -0.358 62.951 63.200 0.182 0.000 0.814 327 S HN 0.499 nan 8.310 nan 0.000 0.477 328 Y N 0.868 121.241 120.300 0.121 0.000 2.145 328 Y HA -0.160 4.391 4.550 0.002 0.000 0.286 328 Y C 1.441 177.055 175.900 -0.478 0.000 1.145 328 Y CA 1.541 59.354 58.100 -0.477 0.000 1.148 328 Y CB -0.175 37.645 38.460 -1.066 0.000 0.981 328 Y HN 0.242 nan 8.280 nan 0.000 0.507 329 Y N 0.653 120.993 120.300 0.067 0.000 2.466 329 Y HA 0.176 4.727 4.550 0.002 0.000 0.272 329 Y C 0.404 176.289 175.900 -0.025 0.000 1.169 329 Y CA -0.181 57.918 58.100 -0.002 0.000 1.285 329 Y CB -0.279 38.169 38.460 -0.019 0.000 1.078 329 Y HN -0.053 nan 8.280 nan 0.000 0.523 330 K N 1.448 121.901 120.400 0.090 0.000 3.278 330 K HA -0.243 4.078 4.320 0.002 0.000 0.270 330 K C -0.823 175.839 176.600 0.104 0.000 0.955 330 K CA 0.892 57.219 56.287 0.067 0.000 0.723 330 K CB -1.058 31.452 32.500 0.017 0.000 1.382 330 K HN 0.318 nan 8.250 nan 0.000 0.461 331 D N 1.096 121.580 120.400 0.140 0.000 2.329 331 D HA 0.099 4.740 4.640 0.002 0.000 0.232 331 D C 0.806 177.176 176.300 0.117 0.000 1.088 331 D CA -0.212 53.885 54.000 0.161 0.000 0.835 331 D CB 0.855 41.777 40.800 0.204 0.000 1.078 331 D HN 0.208 nan 8.370 nan 0.000 0.495 332 E N 2.548 122.778 120.200 0.049 0.000 2.150 332 E HA -0.179 4.172 4.350 0.002 0.000 0.193 332 E C 1.068 177.604 176.600 -0.107 0.000 0.985 332 E CA 0.952 57.316 56.400 -0.061 0.000 0.814 332 E CB 0.137 29.727 29.700 -0.184 0.000 0.752 332 E HN 0.633 nan 8.360 nan 0.000 0.466 333 Y N 0.955 121.246 120.300 -0.015 0.000 2.200 333 Y HA -0.155 4.396 4.550 0.001 0.000 0.290 333 Y C 2.267 178.125 175.900 -0.071 0.000 1.137 333 Y CA 0.820 58.837 58.100 -0.138 0.000 1.163 333 Y CB -0.161 38.073 38.460 -0.376 0.000 0.988 333 Y HN -0.017 nan 8.280 nan 0.000 0.518 334 L N -0.188 121.098 121.223 0.105 0.000 2.141 334 L HA -0.222 4.119 4.340 0.002 0.000 0.209 334 L C 2.253 179.233 176.870 0.183 0.000 1.094 334 L CA 1.378 56.294 54.840 0.125 0.000 0.763 334 L CB -0.588 41.554 42.059 0.138 0.000 0.908 334 L HN 0.398 nan 8.230 nan 0.000 0.437 335 N N -0.278 118.525 118.700 0.170 0.000 2.216 335 N HA -0.238 4.503 4.740 0.002 0.000 0.183 335 N C 2.085 177.726 175.510 0.219 0.000 1.017 335 N CA 0.808 53.978 53.050 0.200 0.000 0.861 335 N CB 0.044 38.616 38.487 0.141 0.000 0.986 335 N HN 0.233 nan 8.380 nan 0.000 0.428 336 Y N 2.038 122.366 120.300 0.048 0.000 2.128 336 Y HA -0.264 4.287 4.550 0.001 0.000 0.284 336 Y C 2.452 178.381 175.900 0.049 0.000 1.154 336 Y CA 2.082 60.192 58.100 0.016 0.000 1.149 336 Y CB -0.347 38.091 38.460 -0.037 0.000 0.976 336 Y HN 0.120 nan 8.280 nan 0.000 0.505 337 E N -0.197 120.130 120.200 0.212 0.000 2.085 337 E HA -0.260 4.091 4.350 0.002 0.000 0.194 337 E C 2.005 178.681 176.600 0.127 0.000 0.994 337 E CA 1.666 58.171 56.400 0.175 0.000 0.801 337 E CB -0.826 29.012 29.700 0.230 0.000 0.743 337 E HN 0.517 nan 8.360 nan 0.000 0.453 338 F N 0.521 120.485 119.950 0.024 0.000 2.134 338 F HA -0.070 4.458 4.527 0.002 0.000 0.299 338 F C 1.682 177.421 175.800 -0.102 0.000 1.097 338 F CA 1.333 59.324 58.000 -0.016 0.000 1.264 338 F CB -0.198 38.808 39.000 0.009 0.000 1.001 338 F HN 0.038 nan 8.300 nan 0.000 0.479 339 L N -0.021 121.037 121.223 -0.275 0.000 2.376 339 L HA -0.134 4.207 4.340 0.002 0.000 0.219 339 L C 2.280 178.872 176.870 -0.463 0.000 1.133 339 L CA 0.754 55.342 54.840 -0.420 0.000 0.816 339 L CB -0.621 41.315 42.059 -0.204 0.000 0.933 339 L HN 0.105 nan 8.230 nan 0.000 0.449 340 K N 0.023 120.155 120.400 -0.447 0.000 2.063 340 K HA -0.178 4.143 4.320 0.002 0.000 0.208 340 K C 0.305 176.552 176.600 -0.588 0.000 1.048 340 K CA 1.365 57.409 56.287 -0.404 0.000 0.928 340 K CB 0.039 32.430 32.500 -0.180 0.000 0.713 340 K HN 0.088 nan 8.250 nan 0.000 0.442 341 D N -0.847 119.097 120.400 -0.761 0.000 2.472 341 D HA 0.098 4.739 4.640 0.002 0.000 0.248 341 D C -2.659 173.224 176.300 -0.695 0.000 1.271 341 D CA -1.767 51.746 54.000 -0.811 0.000 0.888 341 D CB 1.093 41.082 40.800 -1.351 0.000 1.337 341 D HN -0.138 nan 8.370 nan 0.000 0.526 342 P HA 0.230 nan 4.420 nan 0.000 0.218 342 P C -0.934 176.144 177.300 -0.370 0.000 1.793 342 P CA -0.298 62.205 63.100 -0.997 0.000 0.941 342 P CB -0.197 31.001 31.700 -0.837 0.000 1.919 343 N N 1.129 119.689 118.700 -0.234 0.000 2.664 343 N HA 0.159 4.900 4.740 0.002 0.000 0.257 343 N C -0.022 175.501 175.510 0.022 0.000 1.108 343 N CA -0.420 52.587 53.050 -0.073 0.000 0.822 343 N CB 2.663 41.090 38.487 -0.099 0.000 1.199 343 N HN 0.018 nan 8.380 nan 0.000 0.529 344 V N -0.611 119.362 119.914 0.099 0.000 2.953 344 V HA 0.380 4.501 4.120 0.002 0.000 0.304 344 V C 0.747 176.886 176.094 0.075 0.000 1.073 344 V CA -0.567 61.803 62.300 0.116 0.000 1.064 344 V CB 1.090 32.988 31.823 0.126 0.000 1.047 344 V HN 0.295 nan 8.190 nan 0.000 0.478 345 E N 3.485 123.742 120.200 0.095 0.000 2.415 345 E HA 0.134 4.485 4.350 0.002 0.000 0.262 345 E C -1.645 174.996 176.600 0.068 0.000 1.038 345 E CA -1.743 54.730 56.400 0.121 0.000 0.921 345 E CB 0.664 30.511 29.700 0.244 0.000 0.950 345 E HN 0.562 nan 8.360 nan 0.000 0.438 346 P HA -0.236 nan 4.420 nan 0.000 0.217 346 P C 1.050 178.368 177.300 0.029 0.000 1.158 346 P CA 2.076 65.193 63.100 0.028 0.000 0.887 346 P CB -0.147 31.565 31.700 0.020 0.000 0.792 347 H N -3.144 115.883 119.070 -0.072 0.000 2.561 347 H HA 0.061 4.618 4.556 0.002 0.000 0.278 347 H C 0.856 176.174 175.328 -0.016 0.000 1.014 347 H CA 0.774 56.763 56.048 -0.099 0.000 1.211 347 H CB -0.966 28.659 29.762 -0.229 0.000 1.365 347 H HN 0.085 nan 8.280 nan 0.000 0.594 348 C N 0.658 119.750 119.300 -0.348 0.000 3.038 348 C HA 0.203 4.664 4.460 0.002 0.000 0.279 348 C C 2.039 177.025 174.990 -0.007 0.000 1.276 348 C CA -0.534 58.425 59.018 -0.098 0.000 1.697 348 C CB 0.005 27.651 27.740 -0.155 0.000 2.032 348 C HN 0.502 nan 8.230 nan 0.000 0.636 349 K N 1.349 121.710 120.400 -0.064 0.000 2.063 349 K HA -0.125 4.196 4.320 0.002 0.000 0.208 349 K C 1.805 178.345 176.600 -0.099 0.000 1.048 349 K CA 1.046 57.302 56.287 -0.053 0.000 0.928 349 K CB -0.580 31.885 32.500 -0.058 0.000 0.713 349 K HN 0.409 nan 8.250 nan 0.000 0.442 350 L N 0.564 121.641 121.223 -0.245 0.000 2.042 350 L HA -0.130 4.211 4.340 0.002 0.000 0.210 350 L C 2.069 178.623 176.870 -0.527 0.000 1.076 350 L CA 1.578 56.193 54.840 -0.375 0.000 0.749 350 L CB -0.539 41.162 42.059 -0.596 0.000 0.893 350 L HN 0.022 nan 8.230 nan 0.000 0.432 351 F N -0.257 119.431 119.950 -0.437 0.000 2.186 351 F HA -0.141 4.387 4.527 0.001 0.000 0.299 351 F C 2.560 177.994 175.800 -0.610 0.000 1.090 351 F CA 1.383 58.864 58.000 -0.864 0.000 1.307 351 F CB -0.518 37.944 39.000 -0.896 0.000 1.019 351 F HN 0.209 nan 8.300 nan 0.000 0.489 352 E N 0.426 120.526 120.200 -0.167 0.000 2.038 352 E HA -0.287 4.064 4.350 0.002 0.000 0.195 352 E C 2.183 178.725 176.600 -0.097 0.000 1.000 352 E CA 1.561 57.886 56.400 -0.125 0.000 0.803 352 E CB -0.372 29.319 29.700 -0.015 0.000 0.750 352 E HN 0.377 nan 8.360 nan 0.000 0.448 353 F N 1.188 121.038 119.950 -0.167 0.000 2.126 353 F HA -0.199 4.329 4.527 0.001 0.000 0.299 353 F C 1.960 177.673 175.800 -0.145 0.000 1.096 353 F CA 1.491 59.425 58.000 -0.111 0.000 1.255 353 F CB -0.119 38.851 39.000 -0.050 0.000 0.997 353 F HN 0.023 nan 8.300 nan 0.000 0.479 354 L N -1.648 119.460 121.223 -0.192 0.000 2.072 354 L HA -0.177 4.164 4.340 0.002 0.000 0.205 354 L C 1.765 178.556 176.870 -0.132 0.000 1.079 354 L CA 0.873 55.565 54.840 -0.248 0.000 0.752 354 L CB -0.562 41.250 42.059 -0.412 0.000 0.906 354 L HN 0.282 nan 8.230 nan 0.000 0.436 355 W N -0.734 120.345 121.300 -0.368 0.000 2.940 355 W HA 0.252 4.913 4.660 0.002 0.000 0.297 355 W C 1.241 177.460 176.519 -0.500 0.000 1.149 355 W CA -0.868 56.080 57.345 -0.661 0.000 1.564 355 W CB -0.313 28.294 29.460 -1.422 0.000 1.010 355 W HN -0.048 nan 8.180 nan 0.000 0.578 356 R N 2.628 123.023 120.500 -0.176 0.000 2.570 356 R HA -0.017 4.324 4.340 0.002 0.000 0.277 356 R C -0.257 175.994 176.300 -0.081 0.000 1.039 356 R CA 0.458 56.459 56.100 -0.165 0.000 1.065 356 R CB 0.286 30.477 30.300 -0.182 0.000 0.964 356 R HN -0.282 nan 8.270 nan 0.000 0.428 357 D N 2.980 123.358 120.400 -0.038 0.000 2.396 357 D HA 0.027 4.668 4.640 0.002 0.000 0.225 357 D C 0.676 176.971 176.300 -0.009 0.000 1.121 357 D CA -0.188 53.809 54.000 -0.005 0.000 0.853 357 D CB 1.412 42.230 40.800 0.031 0.000 1.043 357 D HN 0.671 nan 8.370 nan 0.000 0.500 358 T N 0.705 115.250 114.554 -0.016 0.000 3.081 358 T HA -0.042 4.309 4.350 0.002 0.000 0.255 358 T C 1.236 175.941 174.700 0.007 0.000 1.113 358 T CA 0.278 62.380 62.100 0.003 0.000 1.082 358 T CB 0.243 69.105 68.868 -0.010 0.000 0.939 358 T HN 0.177 nan 8.240 nan 0.000 0.506 359 Q N 0.399 120.199 119.800 -0.001 0.000 2.354 359 Q HA 0.314 4.655 4.340 0.002 0.000 0.203 359 Q C 0.763 176.768 176.000 0.007 0.000 0.933 359 Q CA -0.049 55.753 55.803 -0.000 0.000 0.901 359 Q CB -0.460 28.273 28.738 -0.008 0.000 1.007 359 Q HN 0.461 nan 8.270 nan 0.000 0.495 360 L N 1.582 122.813 121.223 0.015 0.000 2.525 360 L HA 0.159 4.500 4.340 0.002 0.000 0.278 360 L C 0.726 177.611 176.870 0.025 0.000 1.218 360 L CA 0.441 55.294 54.840 0.022 0.000 0.878 360 L CB 0.354 42.433 42.059 0.034 0.000 1.127 360 L HN 0.109 nan 8.230 nan 0.000 0.492 361 G N 2.981 111.789 108.800 0.013 0.000 2.535 361 G HA2 0.537 4.498 3.960 0.002 0.000 0.282 361 G HA3 0.537 4.498 3.960 0.002 0.000 0.282 361 G C -0.908 174.000 174.900 0.013 0.000 1.350 361 G CA 0.102 45.206 45.100 0.006 0.000 1.039 361 G HN 1.001 nan 8.290 nan 0.000 0.509 362 S N -1.494 114.210 115.700 0.008 0.000 2.540 362 S HA 0.721 5.192 4.470 0.002 0.000 0.275 362 S C -0.880 173.682 174.600 -0.064 0.000 1.123 362 S CA -1.018 57.206 58.200 0.040 0.000 0.907 362 S CB 2.331 65.637 63.200 0.176 0.000 1.081 362 S HN 0.670 nan 8.310 nan 0.000 0.476 363 R N 1.626 121.976 120.500 -0.249 0.000 2.513 363 R HA 0.407 4.748 4.340 0.002 0.000 0.301 363 R C -0.490 175.312 176.300 -0.831 0.000 0.968 363 R CA -0.933 54.844 56.100 -0.539 0.000 0.872 363 R CB 2.147 31.872 30.300 -0.959 0.000 1.177 363 R HN 0.853 nan 8.270 nan 0.000 0.444 364 K N 2.956 122.735 120.400 -1.035 0.000 2.380 364 K HA 0.114 4.435 4.320 0.002 0.000 0.267 364 K C -1.806 174.413 176.600 -0.635 0.000 0.990 364 K CA -1.048 54.485 56.287 -1.256 0.000 0.946 364 K CB 0.556 32.621 32.500 -0.726 0.000 0.937 364 K HN 0.220 nan 8.250 nan 0.000 0.491 365 P HA -0.035 nan 4.420 nan 0.000 0.245 365 P C -0.383 176.148 177.300 -1.281 0.000 1.212 365 P CA 0.506 63.058 63.100 -0.914 0.000 0.774 365 P CB 0.143 31.099 31.700 -1.241 0.000 0.999 366 D N 1.135 121.094 120.400 -0.735 0.000 2.218 366 D HA -0.154 4.487 4.640 0.002 0.000 0.204 366 D C 1.235 177.399 176.300 -0.226 0.000 0.976 366 D CA 1.376 55.100 54.000 -0.461 0.000 0.853 366 D CB -0.515 40.207 40.800 -0.131 0.000 0.939 366 D HN 0.370 nan 8.370 nan 0.000 0.481 367 D N -0.265 120.025 120.400 -0.182 0.000 2.340 367 D HA -0.022 4.619 4.640 0.002 0.000 0.217 367 D C 0.342 176.644 176.300 0.003 0.000 1.081 367 D CA -0.208 53.783 54.000 -0.015 0.000 0.842 367 D CB -0.416 40.403 40.800 0.031 0.000 0.934 367 D HN 0.164 nan 8.370 nan 0.000 0.511 368 L N 0.727 121.866 121.223 -0.140 0.000 2.397 368 L HA 0.302 4.643 4.340 0.002 0.000 0.271 368 L C -1.995 175.042 176.870 0.278 0.000 1.148 368 L CA -1.886 52.932 54.840 -0.037 0.000 0.825 368 L CB 0.534 42.402 42.059 -0.317 0.000 1.117 368 L HN -0.251 nan 8.230 nan 0.000 0.456 369 P HA -0.021 nan 4.420 nan 0.000 0.267 369 P C 0.600 178.069 177.300 0.282 0.000 1.200 369 P CA 0.064 63.293 63.100 0.216 0.000 0.772 369 P CB 0.510 32.290 31.700 0.133 0.000 0.855 370 L N 0.010 121.291 121.223 0.095 0.000 2.376 370 L HA 0.004 4.345 4.340 0.002 0.000 0.219 370 L C 0.669 177.498 176.870 -0.068 0.000 1.133 370 L CA 1.197 56.025 54.840 -0.020 0.000 0.816 370 L CB -0.202 41.807 42.059 -0.084 0.000 0.933 370 L HN 0.334 nan 8.230 nan 0.000 0.449 371 S N -0.679 114.868 115.700 -0.256 0.000 2.542 371 S HA 0.598 5.069 4.470 0.002 0.000 0.293 371 S C -0.615 173.643 174.600 -0.570 0.000 1.089 371 S CA -0.629 57.285 58.200 -0.478 0.000 0.961 371 S CB 2.856 65.580 63.200 -0.794 0.000 1.062 371 S HN 0.133 nan 8.310 nan 0.000 0.483 372 R N 1.508 121.736 120.500 -0.454 0.000 2.574 372 R HA 0.440 4.781 4.340 0.002 0.000 0.288 372 R C -2.112 174.157 176.300 -0.052 0.000 1.004 372 R CA -0.602 55.284 56.100 -0.358 0.000 0.895 372 R CB 1.154 30.943 30.300 -0.852 0.000 1.191 372 R HN 0.692 nan 8.270 nan 0.000 0.444 373 Y N 2.030 122.342 120.300 0.019 0.000 2.360 373 Y HA 0.463 5.014 4.550 0.001 0.000 0.337 373 Y C -1.157 174.739 175.900 -0.006 0.000 1.039 373 Y CA -0.481 57.655 58.100 0.059 0.000 1.109 373 Y CB 2.013 40.560 38.460 0.144 0.000 1.201 373 Y HN 0.493 nan 8.280 nan 0.000 0.458 374 S N 4.717 119.995 115.700 -0.703 0.000 2.566 374 S HA 0.561 5.032 4.470 0.002 0.000 0.324 374 S C 0.361 174.312 174.600 -1.081 0.000 1.081 374 S CA -0.451 57.330 58.200 -0.698 0.000 1.105 374 S CB 0.992 63.930 63.200 -0.436 0.000 0.981 374 S HN 1.065 nan 8.310 nan 0.000 0.464 375 G N 1.871 110.117 108.800 -0.923 0.000 2.546 375 G HA2 0.359 4.320 3.960 0.002 0.000 0.239 375 G HA3 0.359 4.320 3.960 0.002 0.000 0.239 375 G C -0.110 174.605 174.900 -0.308 0.000 1.476 375 G CA -0.657 44.108 45.100 -0.558 0.000 1.064 375 G HN 0.620 nan 8.290 nan 0.000 0.561 376 S N 1.766 117.329 115.700 -0.227 0.000 2.558 376 S HA 0.164 4.635 4.470 0.002 0.000 0.293 376 S C -1.521 172.725 174.600 -0.589 0.000 1.292 376 S CA -0.190 57.820 58.200 -0.317 0.000 1.063 376 S CB 1.272 64.344 63.200 -0.214 0.000 0.831 376 S HN 0.479 nan 8.310 nan 0.000 0.499 377 P HA 0.208 nan 4.420 nan 0.000 0.254 377 P C 0.007 176.902 177.300 -0.675 0.000 1.494 377 P CA 0.100 62.805 63.100 -0.659 0.000 0.961 377 P CB -0.051 31.214 31.700 -0.724 0.000 1.493 378 F N 0.450 120.092 119.950 -0.513 0.000 2.204 378 F HA 0.393 4.921 4.527 0.002 0.000 0.276 378 F C 1.758 177.205 175.800 -0.588 0.000 1.085 378 F CA 0.899 58.330 58.000 -0.949 0.000 1.160 378 F CB -1.234 36.755 39.000 -1.685 0.000 1.091 378 F HN 0.000 nan 8.300 nan 0.000 0.522 379 G N 0.404 109.070 108.800 -0.225 0.000 2.326 379 G HA2 -0.221 3.740 3.960 0.002 0.000 0.286 379 G HA3 -0.221 3.740 3.960 0.002 0.000 0.286 379 G C -0.962 174.134 174.900 0.327 0.000 1.096 379 G CA -0.516 44.644 45.100 0.100 0.000 1.003 379 G HN 0.165 nan 8.290 nan 0.000 0.503 380 W N 0.140 121.450 121.300 0.017 0.000 2.587 380 W HA 0.786 5.447 4.660 0.002 0.000 0.324 380 W C 0.051 176.578 176.519 0.014 0.000 1.040 380 W CA -1.874 55.458 57.345 -0.022 0.000 1.222 380 W CB 1.271 30.668 29.460 -0.104 0.000 1.381 380 W HN 0.072 nan 8.180 nan 0.000 0.483 381 M N 4.280 124.008 119.600 0.213 0.000 2.294 381 M HA 0.360 4.841 4.480 0.002 0.000 0.335 381 M C -0.819 175.460 176.300 -0.035 0.000 1.079 381 M CA -1.070 54.303 55.300 0.122 0.000 0.982 381 M CB 1.817 34.476 32.600 0.098 0.000 1.651 381 M HN 0.376 nan 8.290 nan 0.000 0.437 382 I N 3.171 123.689 120.570 -0.087 0.000 2.362 382 I HA 0.676 4.847 4.170 0.002 0.000 0.289 382 I C -0.916 175.083 176.117 -0.198 0.000 0.994 382 I CA -0.101 61.116 61.300 -0.139 0.000 1.158 382 I CB 1.232 39.179 38.000 -0.089 0.000 1.315 382 I HN 0.749 nan 8.210 nan 0.000 0.451 383 A N 7.871 130.496 122.820 -0.325 0.000 2.356 383 A HA 0.876 5.197 4.320 0.002 0.000 0.310 383 A C -0.475 176.804 177.584 -0.507 0.000 1.075 383 A CA -0.709 51.043 52.037 -0.475 0.000 0.746 383 A CB 1.047 19.587 19.000 -0.767 0.000 1.221 383 A HN 0.724 nan 8.150 nan 0.000 0.443 384 R N 0.341 120.648 120.500 -0.322 0.000 2.919 384 R HA 0.645 4.986 4.340 0.002 0.000 0.260 384 R C 0.460 176.702 176.300 -0.096 0.000 1.067 384 R CA 0.006 55.943 56.100 -0.271 0.000 1.003 384 R CB 1.740 31.726 30.300 -0.524 0.000 1.192 384 R HN 0.783 nan 8.270 nan 0.000 0.488 385 T N -2.912 111.618 114.554 -0.040 0.000 3.044 385 T HA 0.372 4.722 4.350 0.002 0.000 0.260 385 T C 0.589 175.261 174.700 -0.047 0.000 1.019 385 T CA 0.047 62.164 62.100 0.028 0.000 0.921 385 T CB 0.749 69.683 68.868 0.111 0.000 1.053 385 T HN 0.738 nan 8.240 nan 0.000 0.533 386 G N -0.367 108.314 108.800 -0.198 0.000 2.342 386 G HA2 0.408 4.369 3.960 0.002 0.000 0.297 386 G HA3 0.408 4.369 3.960 0.002 0.000 0.297 386 G C -1.556 173.085 174.900 -0.432 0.000 1.313 386 G CA -0.869 44.119 45.100 -0.186 0.000 0.830 386 G HN 0.148 nan 8.290 nan 0.000 0.506 387 W N 0.093 121.400 121.300 0.011 0.000 2.870 387 W HA 0.489 5.150 4.660 0.001 0.000 0.358 387 W C 1.229 177.756 176.519 0.013 0.000 1.043 387 W CA 0.314 57.649 57.345 -0.017 0.000 1.692 387 W CB 1.337 30.765 29.460 -0.053 0.000 1.100 387 W HN 0.816 nan 8.180 nan 0.000 0.557 388 G N 0.749 109.662 108.800 0.189 0.000 2.702 388 G HA2 0.251 4.212 3.960 0.002 0.000 0.254 388 G HA3 0.251 4.212 3.960 0.002 0.000 0.254 388 G C -1.467 173.501 174.900 0.113 0.000 1.380 388 G CA -0.695 44.493 45.100 0.146 0.000 1.042 388 G HN -0.294 nan 8.290 nan 0.000 0.557 389 P HA -0.044 nan 4.420 nan 0.000 0.221 389 P C 0.776 178.102 177.300 0.044 0.000 1.145 389 P CA 0.984 64.124 63.100 0.067 0.000 0.795 389 P CB 0.330 32.059 31.700 0.048 0.000 0.775 390 E N -0.142 120.106 120.200 0.080 0.000 2.437 390 E HA 0.107 4.458 4.350 0.002 0.000 0.189 390 E C 0.142 176.890 176.600 0.246 0.000 1.054 390 E CA 0.039 56.520 56.400 0.136 0.000 0.874 390 E CB -0.130 29.669 29.700 0.165 0.000 1.011 390 E HN 0.176 nan 8.360 nan 0.000 0.474 391 S N 1.161 116.967 115.700 0.176 0.000 2.516 391 S HA 0.092 4.563 4.470 0.002 0.000 0.282 391 S C 0.379 175.186 174.600 0.344 0.000 1.286 391 S CA -0.206 58.099 58.200 0.175 0.000 1.066 391 S CB 1.056 64.297 63.200 0.068 0.000 0.884 391 S HN -0.033 nan 8.310 nan 0.000 0.491 392 V N 5.789 125.898 119.914 0.325 0.000 2.546 392 V HA 0.361 4.482 4.120 0.002 0.000 0.284 392 V C 0.125 176.327 176.094 0.181 0.000 1.050 392 V CA -0.234 62.270 62.300 0.339 0.000 0.981 392 V CB 0.705 32.694 31.823 0.276 0.000 0.990 392 V HN 0.697 nan 8.190 nan 0.000 0.474 393 I N 4.125 124.820 120.570 0.207 0.000 2.439 393 I HA 0.714 4.885 4.170 0.002 0.000 0.285 393 I C -0.034 176.109 176.117 0.044 0.000 1.021 393 I CA -0.431 60.901 61.300 0.054 0.000 1.091 393 I CB 1.754 39.787 38.000 0.055 0.000 1.242 393 I HN 0.660 nan 8.210 nan 0.000 0.439 394 A N 5.485 128.218 122.820 -0.145 0.000 2.356 394 A HA 0.666 4.987 4.320 0.002 0.000 0.310 394 A C -0.853 176.634 177.584 -0.163 0.000 1.075 394 A CA -0.520 51.441 52.037 -0.127 0.000 0.746 394 A CB 1.568 20.420 19.000 -0.247 0.000 1.221 394 A HN 0.738 nan 8.150 nan 0.000 0.443 395 E N 2.565 122.728 120.200 -0.061 0.000 2.183 395 E HA 0.688 5.039 4.350 0.002 0.000 0.271 395 E C -1.344 175.171 176.600 -0.141 0.000 0.919 395 E CA -0.478 55.852 56.400 -0.118 0.000 0.781 395 E CB 1.105 30.732 29.700 -0.122 0.000 1.140 395 E HN 0.669 nan 8.360 nan 0.000 0.402 396 M N 3.650 123.078 119.600 -0.287 0.000 2.263 396 M HA 0.417 4.898 4.480 0.002 0.000 0.295 396 M C -1.026 174.993 176.300 -0.469 0.000 1.028 396 M CA -0.552 54.344 55.300 -0.674 0.000 0.921 396 M CB 2.279 34.243 32.600 -1.059 0.000 1.601 396 M HN 0.167 nan 8.290 nan 0.000 0.440 397 K N 2.096 122.296 120.400 -0.333 0.000 2.443 397 K HA 0.547 4.868 4.320 0.002 0.000 0.252 397 K C -0.201 176.599 176.600 0.334 0.000 0.933 397 K CA -0.650 55.672 56.287 0.058 0.000 0.792 397 K CB 2.965 35.350 32.500 -0.192 0.000 1.185 397 K HN 0.408 nan 8.250 nan 0.000 0.425 398 V N 1.135 121.327 119.914 0.463 0.000 2.326 398 V HA -0.085 4.036 4.120 0.002 0.000 0.238 398 V C -0.151 176.156 176.094 0.355 0.000 1.038 398 V CA 0.488 63.023 62.300 0.392 0.000 1.032 398 V CB -0.644 31.368 31.823 0.314 0.000 0.675 398 V HN 0.934 nan 8.190 nan 0.000 0.467 399 N N 0.410 119.366 118.700 0.426 0.000 2.400 399 N HA -0.138 4.603 4.740 0.002 0.000 0.278 399 N C 0.337 175.932 175.510 0.143 0.000 1.405 399 N CA 0.633 53.889 53.050 0.343 0.000 0.709 399 N CB -0.907 37.776 38.487 0.327 0.000 0.896 399 N HN 0.602 nan 8.380 nan 0.000 0.495 400 E N -0.128 120.106 120.200 0.057 0.000 2.170 400 E HA -0.027 4.324 4.350 0.002 0.000 0.191 400 E C -0.214 176.264 176.600 -0.203 0.000 0.981 400 E CA 1.038 57.410 56.400 -0.047 0.000 0.830 400 E CB 0.259 29.951 29.700 -0.013 0.000 0.775 400 E HN 0.554 nan 8.360 nan 0.000 0.470 401 Y N -0.863 119.420 120.300 -0.028 0.000 2.576 401 Y HA 0.294 4.845 4.550 0.002 0.000 0.346 401 Y C -0.262 175.622 175.900 -0.027 0.000 1.018 401 Y CA -0.853 57.209 58.100 -0.063 0.000 1.050 401 Y CB 2.261 40.622 38.460 -0.166 0.000 1.280 401 Y HN -0.294 nan 8.280 nan 0.000 0.474 402 S N 1.114 116.897 115.700 0.139 0.000 2.454 402 S HA 0.424 4.895 4.470 0.002 0.000 0.306 402 S C -0.268 174.349 174.600 0.029 0.000 1.100 402 S CA -0.454 57.856 58.200 0.184 0.000 1.087 402 S CB 0.225 63.557 63.200 0.220 0.000 1.019 402 S HN 0.561 nan 8.310 nan 0.000 0.480 403 F N 4.438 124.419 119.950 0.052 0.000 2.746 403 F HA 0.371 4.899 4.527 0.002 0.000 0.297 403 F C 1.326 177.112 175.800 -0.023 0.000 1.113 403 F CA -0.099 57.829 58.000 -0.119 0.000 1.367 403 F CB -0.096 38.671 39.000 -0.389 0.000 1.111 403 F HN 0.455 nan 8.300 nan 0.000 0.590 404 L N -0.797 120.579 121.223 0.256 0.000 7.544 404 L HA -0.480 3.861 4.340 0.002 0.000 0.055 404 L C 1.377 178.305 176.870 0.096 0.000 1.403 404 L CA 1.303 56.257 54.840 0.191 0.000 1.513 404 L CB -1.712 40.446 42.059 0.166 0.000 2.856 404 L HN 0.459 nan 8.230 nan 0.000 1.159 405 N N -1.108 117.561 118.700 -0.052 0.000 1.347 405 N HA -0.307 4.434 4.740 0.002 0.000 0.141 405 N C 1.007 176.423 175.510 -0.157 0.000 0.677 405 N CA 1.776 54.703 53.050 -0.204 0.000 1.016 405 N CB -0.715 37.625 38.487 -0.246 0.000 1.268 405 N HN 0.778 nan 8.380 nan 0.000 0.487 406 H N 0.958 120.047 119.070 0.033 0.000 2.551 406 H HA 0.085 4.642 4.556 0.002 0.000 0.266 406 H C 0.682 176.025 175.328 0.025 0.000 0.977 406 H CA 0.485 56.534 56.048 0.002 0.000 1.163 406 H CB -0.116 29.524 29.762 -0.204 0.000 1.381 406 H HN 0.405 nan 8.280 nan 0.000 0.581 407 Q N 0.874 120.782 119.800 0.181 0.000 2.373 407 Q HA 0.085 4.426 4.340 0.002 0.000 0.255 407 Q C -0.483 175.657 176.000 0.233 0.000 0.980 407 Q CA -0.056 55.843 55.803 0.160 0.000 0.882 407 Q CB 0.731 29.636 28.738 0.277 0.000 1.249 407 Q HN 0.499 nan 8.270 nan 0.000 0.438 408 H N 1.383 120.468 119.070 0.025 0.000 2.496 408 H HA 0.162 4.719 4.556 0.001 0.000 0.342 408 H C -0.450 174.851 175.328 -0.045 0.000 1.170 408 H CA -1.194 54.833 56.048 -0.035 0.000 1.274 408 H CB 1.088 30.760 29.762 -0.149 0.000 1.538 408 H HN 0.479 nan 8.280 nan 0.000 0.542 409 Q N 2.714 122.556 119.800 0.070 0.000 2.837 409 Q HA 0.034 4.375 4.340 0.002 0.000 0.235 409 Q C -0.417 175.452 176.000 -0.220 0.000 1.348 409 Q CA -0.054 55.722 55.803 -0.045 0.000 0.990 409 Q CB -0.505 28.187 28.738 -0.078 0.000 1.570 409 Q HN 0.610 nan 8.270 nan 0.000 0.575 410 D N -1.377 118.866 120.400 -0.262 0.000 2.788 410 D HA 0.218 4.859 4.640 0.002 0.000 0.289 410 D C -0.034 176.158 176.300 -0.180 0.000 1.340 410 D CA -0.674 53.041 54.000 -0.473 0.000 0.831 410 D CB 0.038 40.286 40.800 -0.921 0.000 1.103 410 D HN 0.176 nan 8.370 nan 0.000 0.476 411 A N 0.117 122.896 122.820 -0.068 0.000 2.520 411 A HA 0.509 4.830 4.320 0.002 0.000 0.245 411 A C 1.732 179.389 177.584 0.123 0.000 1.072 411 A CA 0.557 52.632 52.037 0.063 0.000 0.761 411 A CB -0.302 18.730 19.000 0.055 0.000 1.004 411 A HN 1.027 nan 8.150 nan 0.000 0.499 412 G N 0.696 109.640 108.800 0.241 0.000 2.176 412 G HA2 0.140 4.101 3.960 0.002 0.000 0.253 412 G HA3 0.140 4.101 3.960 0.002 0.000 0.253 412 G C 0.591 175.745 174.900 0.424 0.000 0.979 412 G CA 0.410 45.729 45.100 0.365 0.000 0.641 412 G HN 2.196 nan 8.290 nan 0.000 0.530 413 A N 0.191 123.133 122.820 0.204 0.000 2.425 413 A HA 0.716 5.037 4.320 0.002 0.000 0.249 413 A C 0.111 177.809 177.584 0.191 0.000 1.084 413 A CA 0.521 52.607 52.037 0.082 0.000 0.781 413 A CB 0.038 19.005 19.000 -0.055 0.000 1.019 413 A HN 1.627 nan 8.150 nan 0.000 0.490 414 F N -0.195 119.870 119.950 0.191 0.000 2.556 414 F HA 0.799 5.327 4.527 0.001 0.000 0.327 414 F C -0.346 175.512 175.800 0.097 0.000 1.059 414 F CA -1.003 57.078 58.000 0.134 0.000 0.953 414 F CB 1.656 40.835 39.000 0.298 0.000 1.227 414 F HN 0.615 nan 8.300 nan 0.000 0.478 415 Q N 2.301 122.274 119.800 0.289 0.000 2.284 415 Q HA 0.657 4.998 4.340 0.002 0.000 0.269 415 Q C -2.136 174.017 176.000 0.255 0.000 1.026 415 Q CA -0.638 55.284 55.803 0.198 0.000 0.831 415 Q CB 2.707 31.495 28.738 0.084 0.000 1.322 415 Q HN 0.907 nan 8.270 nan 0.000 0.419 416 I N 3.310 124.049 120.570 0.281 0.000 2.499 416 I HA 0.372 4.543 4.170 0.002 0.000 0.288 416 I C -1.433 174.855 176.117 0.285 0.000 1.048 416 I CA -0.917 60.551 61.300 0.281 0.000 1.062 416 I CB 1.882 40.069 38.000 0.311 0.000 1.238 416 I HN 0.614 nan 8.210 nan 0.000 0.426 417 Y N 7.182 127.575 120.300 0.154 0.000 2.364 417 Y HA 0.619 5.170 4.550 0.002 0.000 0.340 417 Y C -1.668 174.368 175.900 0.227 0.000 0.975 417 Y CA -0.837 57.352 58.100 0.149 0.000 1.089 417 Y CB 1.555 40.073 38.460 0.096 0.000 1.192 417 Y HN 0.527 nan 8.280 nan 0.000 0.454 418 Y N 5.957 126.014 120.300 -0.404 0.000 2.287 418 Y HA 0.259 4.810 4.550 0.002 0.000 0.321 418 Y C -0.707 174.930 175.900 -0.438 0.000 1.173 418 Y CA -1.639 56.305 58.100 -0.259 0.000 1.124 418 Y CB 0.839 39.277 38.460 -0.037 0.000 1.201 418 Y HN 0.763 nan 8.280 nan 0.000 0.421 419 K N 4.252 124.118 120.400 -0.890 0.000 3.278 419 K HA -0.115 4.206 4.320 0.002 0.000 0.270 419 K C 0.161 176.430 176.600 -0.552 0.000 0.955 419 K CA 1.283 57.185 56.287 -0.642 0.000 0.723 419 K CB -1.574 30.537 32.500 -0.649 0.000 1.382 419 K HN 1.474 nan 8.250 nan 0.000 0.461 420 G N -0.701 107.521 108.800 -0.963 0.000 2.465 420 G HA2 -0.002 3.959 3.960 0.002 0.000 0.681 420 G HA3 -0.002 3.959 3.960 0.002 0.000 0.681 420 G C -3.229 171.353 174.900 -0.529 0.000 1.340 420 G CA -1.232 43.555 45.100 -0.521 0.000 0.884 420 G HN -0.089 nan 8.290 nan 0.000 0.650 421 P HA 0.401 nan 4.420 nan 0.000 0.271 421 P C 0.774 178.107 177.300 0.054 0.000 1.233 421 P CA -0.179 62.992 63.100 0.118 0.000 0.764 421 P CB 0.742 32.529 31.700 0.144 0.000 0.825 422 L N 2.559 123.837 121.223 0.092 0.000 2.546 422 L HA 0.333 4.674 4.340 0.002 0.000 0.182 422 L C 1.081 178.047 176.870 0.160 0.000 1.167 422 L CA 0.285 55.191 54.840 0.109 0.000 0.845 422 L CB -0.576 41.556 42.059 0.121 0.000 1.134 422 L HN 0.220 nan 8.230 nan 0.000 0.500 423 A N 1.635 124.581 122.820 0.209 0.000 2.294 423 A HA 0.556 4.877 4.320 0.002 0.000 0.316 423 A C -0.269 177.417 177.584 0.169 0.000 1.359 423 A CA -0.429 51.746 52.037 0.230 0.000 0.956 423 A CB -0.365 18.864 19.000 0.382 0.000 1.155 423 A HN 0.348 nan 8.150 nan 0.000 0.544 424 I N -0.757 119.898 120.570 0.142 0.000 2.793 424 I HA 0.563 4.734 4.170 0.002 0.000 0.313 424 I C -0.513 175.627 176.117 0.037 0.000 0.998 424 I CA -0.848 60.518 61.300 0.110 0.000 1.140 424 I CB 1.616 39.685 38.000 0.116 0.000 1.327 424 I HN 0.375 nan 8.210 nan 0.000 0.491 425 D N 3.665 124.092 120.400 0.045 0.000 2.412 425 D HA 0.518 5.159 4.640 0.002 0.000 0.224 425 D C -0.384 175.948 176.300 0.053 0.000 1.093 425 D CA -0.053 53.943 54.000 -0.006 0.000 0.850 425 D CB 1.538 42.402 40.800 0.107 0.000 1.046 425 D HN 0.793 nan 8.370 nan 0.000 0.507 426 A N 2.149 124.891 122.820 -0.130 0.000 2.264 426 A HA 0.837 5.158 4.320 0.002 0.000 0.304 426 A C 0.773 178.674 177.584 0.527 0.000 1.100 426 A CA 0.367 52.502 52.037 0.163 0.000 0.839 426 A CB 0.638 19.679 19.000 0.067 0.000 1.121 426 A HN 0.876 nan 8.150 nan 0.000 0.496 427 G N -1.073 108.157 108.800 0.716 0.000 2.685 427 G HA2 0.330 4.290 3.960 0.002 0.000 0.387 427 G HA3 0.330 4.290 3.960 0.002 0.000 0.387 427 G C -0.174 174.843 174.900 0.195 0.000 1.324 427 G CA 0.075 45.499 45.100 0.539 0.000 0.878 427 G HN 1.973 nan 8.290 nan 0.000 0.527 428 S N -2.028 113.379 115.700 -0.488 0.000 2.556 428 S HA 0.578 5.049 4.470 0.002 0.000 0.271 428 S C 0.569 174.524 174.600 -1.075 0.000 1.135 428 S CA 0.411 58.222 58.200 -0.649 0.000 0.858 428 S CB 1.461 64.595 63.200 -0.111 0.000 1.114 428 S HN 1.523 nan 8.310 nan 0.000 0.468 429 Y N 3.508 123.358 120.300 -0.750 0.000 2.145 429 Y HA 0.047 4.598 4.550 0.001 0.000 0.286 429 Y C 1.321 177.181 175.900 -0.067 0.000 1.145 429 Y CA 2.210 60.213 58.100 -0.162 0.000 1.148 429 Y CB -0.461 38.107 38.460 0.179 0.000 0.981 429 Y HN 0.751 nan 8.280 nan 0.000 0.507 430 T N -1.994 112.458 114.554 -0.170 0.000 2.907 430 T HA 0.770 5.120 4.350 0.002 0.000 0.290 430 T C 0.087 174.686 174.700 -0.167 0.000 1.066 430 T CA -0.253 61.723 62.100 -0.207 0.000 1.012 430 T CB 1.997 70.758 68.868 -0.178 0.000 1.184 430 T HN 0.595 nan 8.240 nan 0.000 0.522 431 G N 0.275 108.994 108.800 -0.134 0.000 2.367 431 G HA2 0.326 4.287 3.960 0.002 0.000 0.272 431 G HA3 0.326 4.287 3.960 0.002 0.000 0.272 431 G C 0.669 175.521 174.900 -0.080 0.000 1.271 431 G CA 0.303 45.336 45.100 -0.111 0.000 0.893 431 G HN 1.432 nan 8.290 nan 0.000 0.485 432 S N -0.552 115.110 115.700 -0.064 0.000 2.442 432 S HA -0.053 4.418 4.470 0.002 0.000 0.236 432 S C 2.275 176.861 174.600 -0.023 0.000 1.007 432 S CA 2.370 60.551 58.200 -0.031 0.000 0.965 432 S CB -0.145 63.046 63.200 -0.015 0.000 0.773 432 S HN 1.284 nan 8.310 nan 0.000 0.504 433 S N 0.849 116.522 115.700 -0.046 0.000 2.428 433 S HA 0.402 4.873 4.470 0.002 0.000 0.230 433 S C 1.105 175.712 174.600 0.011 0.000 1.014 433 S CA 1.056 59.257 58.200 0.000 0.000 0.957 433 S CB -0.784 62.422 63.200 0.010 0.000 0.784 433 S HN 1.261 nan 8.310 nan 0.000 0.499 434 G N -1.017 107.769 108.800 -0.022 0.000 2.297 434 G HA2 0.271 4.232 3.960 0.002 0.000 0.209 434 G HA3 0.271 4.232 3.960 0.002 0.000 0.209 434 G C 0.089 174.958 174.900 -0.051 0.000 1.267 434 G CA -0.270 44.823 45.100 -0.013 0.000 1.127 434 G HN 0.772 nan 8.290 nan 0.000 0.498 435 G N -1.982 106.799 108.800 -0.031 0.000 3.019 435 G HA2 0.504 4.465 3.960 0.002 0.000 0.152 435 G HA3 0.504 4.465 3.960 0.002 0.000 0.152 435 G C 0.919 175.812 174.900 -0.012 0.000 1.320 435 G CA 0.847 45.880 45.100 -0.112 0.000 1.013 435 G HN 1.107 nan 8.290 nan 0.000 0.593 436 Y N 0.824 121.088 120.300 -0.060 0.000 2.139 436 Y HA -0.162 4.389 4.550 0.001 0.000 0.282 436 Y C 2.167 178.237 175.900 0.283 0.000 1.179 436 Y CA 2.303 60.527 58.100 0.206 0.000 1.161 436 Y CB 0.189 38.793 38.460 0.240 0.000 0.970 436 Y HN 0.229 nan 8.280 nan 0.000 0.511 437 N N 0.502 119.393 118.700 0.318 0.000 2.314 437 N HA 0.016 4.757 4.740 0.002 0.000 0.200 437 N C 0.028 175.646 175.510 0.180 0.000 1.135 437 N CA 0.697 53.930 53.050 0.305 0.000 0.835 437 N CB -0.217 38.437 38.487 0.279 0.000 0.989 437 N HN 0.289 nan 8.380 nan 0.000 0.478 438 S N 0.373 116.150 115.700 0.129 0.000 2.585 438 S HA 0.262 4.733 4.470 0.002 0.000 0.273 438 S C -1.623 173.025 174.600 0.080 0.000 1.339 438 S CA -0.951 57.309 58.200 0.101 0.000 1.028 438 S CB 1.725 64.977 63.200 0.087 0.000 0.906 438 S HN -0.128 nan 8.310 nan 0.000 0.528 439 P HA -0.123 nan 4.420 nan 0.000 0.219 439 P C 1.143 178.441 177.300 -0.004 0.000 1.146 439 P CA 1.477 64.622 63.100 0.074 0.000 0.808 439 P CB -0.141 31.705 31.700 0.243 0.000 0.779 440 H N -0.647 118.428 119.070 0.007 0.000 2.357 440 H HA -0.033 4.524 4.556 0.002 0.000 0.301 440 H C 1.961 177.292 175.328 0.005 0.000 1.082 440 H CA 1.566 57.602 56.048 -0.021 0.000 1.342 440 H CB -0.362 29.342 29.762 -0.096 0.000 1.389 440 H HN -0.035 nan 8.280 nan 0.000 0.511 441 N N 0.526 119.274 118.700 0.079 0.000 2.058 441 N HA -0.136 4.605 4.740 0.002 0.000 0.191 441 N C 1.653 177.119 175.510 -0.073 0.000 1.037 441 N CA 1.425 54.526 53.050 0.085 0.000 0.848 441 N CB -0.085 38.478 38.487 0.127 0.000 1.021 441 N HN 0.436 nan 8.380 nan 0.000 0.422 442 K N 0.477 120.781 120.400 -0.160 0.000 2.211 442 K HA 0.033 4.354 4.320 0.002 0.000 0.203 442 K C 0.921 177.392 176.600 -0.215 0.000 1.050 442 K CA 0.779 56.981 56.287 -0.142 0.000 0.945 442 K CB 0.128 32.503 32.500 -0.207 0.000 0.732 442 K HN 0.232 nan 8.250 nan 0.000 0.451 443 N N -1.393 117.078 118.700 -0.382 0.000 2.210 443 N HA 0.044 4.785 4.740 0.002 0.000 0.203 443 N C 0.633 175.888 175.510 -0.424 0.000 1.175 443 N CA 0.340 53.032 53.050 -0.597 0.000 0.894 443 N CB 0.621 38.348 38.487 -1.266 0.000 1.041 443 N HN 0.065 nan 8.380 nan 0.000 0.506 444 F N -0.569 119.087 119.950 -0.490 0.000 2.102 444 F HA 0.246 4.774 4.527 0.002 0.000 0.254 444 F C 1.632 177.224 175.800 -0.347 0.000 0.975 444 F CA -0.383 57.383 58.000 -0.389 0.000 1.176 444 F CB -0.417 38.336 39.000 -0.412 0.000 1.358 444 F HN -0.242 nan 8.300 nan 0.000 0.728 445 F N 2.386 122.024 119.950 -0.520 0.000 2.095 445 F HA -0.104 4.424 4.527 0.002 0.000 0.298 445 F C 1.925 177.307 175.800 -0.697 0.000 1.104 445 F CA 2.008 59.714 58.000 -0.490 0.000 1.232 445 F CB -0.494 38.368 39.000 -0.230 0.000 0.987 445 F HN -0.065 nan 8.300 nan 0.000 0.475 446 K N -0.239 119.821 120.400 -0.567 0.000 2.444 446 K HA 0.039 4.360 4.320 0.002 0.000 0.193 446 K C 0.338 176.802 176.600 -0.227 0.000 1.024 446 K CA -0.046 55.901 56.287 -0.568 0.000 1.077 446 K CB 0.290 32.792 32.500 0.004 0.000 0.833 446 K HN 0.026 nan 8.250 nan 0.000 0.517 447 R N 0.041 120.364 120.500 -0.295 0.000 2.596 447 R HA 0.162 4.503 4.340 0.002 0.000 0.267 447 R C 1.161 177.359 176.300 -0.169 0.000 1.026 447 R CA -0.262 55.672 56.100 -0.277 0.000 1.087 447 R CB 0.408 30.483 30.300 -0.376 0.000 1.132 447 R HN -0.128 nan 8.270 nan 0.000 0.531 448 T N 1.142 115.604 114.554 -0.154 0.000 2.788 448 T HA -0.124 4.227 4.350 0.002 0.000 0.268 448 T C 1.836 176.527 174.700 -0.016 0.000 1.044 448 T CA 1.114 63.182 62.100 -0.054 0.000 1.139 448 T CB -0.143 68.677 68.868 -0.081 0.000 0.867 448 T HN 0.516 nan 8.240 nan 0.000 0.454 449 I N 1.138 121.628 120.570 -0.133 0.000 2.423 449 I HA -0.191 3.980 4.170 0.002 0.000 0.254 449 I C 2.321 178.278 176.117 -0.267 0.000 1.151 449 I CA 0.991 62.215 61.300 -0.128 0.000 1.421 449 I CB -0.193 37.748 38.000 -0.098 0.000 1.079 449 I HN 0.218 nan 8.210 nan 0.000 0.431 450 A N -0.988 121.361 122.820 -0.785 0.000 2.235 450 A HA 0.000 4.321 4.320 0.002 0.000 0.208 450 A C 0.322 177.199 177.584 -1.179 0.000 1.172 450 A CA 0.584 51.859 52.037 -1.271 0.000 0.786 450 A CB -0.750 17.368 19.000 -1.470 0.000 0.804 450 A HN 0.577 nan 8.150 nan 0.000 0.479 451 H N -1.420 117.410 119.070 -0.399 0.000 2.771 451 H HA 0.383 4.940 4.556 0.002 0.000 0.367 451 H C -0.557 174.700 175.328 -0.119 0.000 1.172 451 H CA -1.158 54.728 56.048 -0.270 0.000 1.186 451 H CB 0.620 30.257 29.762 -0.207 0.000 1.790 451 H HN 0.064 nan 8.280 nan 0.000 0.556 452 N N 0.981 119.585 118.700 -0.161 0.000 3.050 452 N HA 0.102 4.843 4.740 0.002 0.000 0.289 452 N C -0.581 174.626 175.510 -0.506 0.000 1.209 452 N CA 0.092 52.816 53.050 -0.544 0.000 1.154 452 N CB 0.657 38.398 38.487 -1.243 0.000 1.444 452 N HN 0.428 nan 8.380 nan 0.000 0.529 453 S N 0.397 115.938 115.700 -0.264 0.000 3.605 453 S HA 0.659 5.130 4.470 0.002 0.000 0.301 453 S C -1.308 173.238 174.600 -0.091 0.000 1.083 453 S CA -0.550 57.584 58.200 -0.109 0.000 1.109 453 S CB 0.456 63.662 63.200 0.009 0.000 1.364 453 S HN 0.215 nan 8.310 nan 0.000 0.758 454 L N 1.962 123.235 121.223 0.083 0.000 2.362 454 L HA 0.620 4.961 4.340 0.002 0.000 0.275 454 L C -1.259 175.770 176.870 0.265 0.000 0.998 454 L CA -0.498 54.426 54.840 0.140 0.000 0.820 454 L CB 1.708 43.843 42.059 0.126 0.000 1.270 454 L HN 0.484 nan 8.230 nan 0.000 0.415 455 L N 4.201 125.600 121.223 0.294 0.000 2.346 455 L HA 0.645 4.986 4.340 0.002 0.000 0.274 455 L C -1.022 176.088 176.870 0.400 0.000 1.007 455 L CA -0.710 54.347 54.840 0.362 0.000 0.818 455 L CB 2.208 44.460 42.059 0.322 0.000 1.284 455 L HN 0.413 nan 8.230 nan 0.000 0.424 456 I N 2.231 122.986 120.570 0.308 0.000 2.468 456 I HA 0.221 4.392 4.170 0.002 0.000 0.284 456 I C -0.958 175.261 176.117 0.169 0.000 1.038 456 I CA -0.203 61.243 61.300 0.243 0.000 1.083 456 I CB 1.515 39.555 38.000 0.066 0.000 1.223 456 I HN 0.325 nan 8.210 nan 0.000 0.443 457 Y N 5.441 125.796 120.300 0.091 0.000 2.477 457 Y HA 0.370 4.921 4.550 0.002 0.000 0.349 457 Y C -0.020 175.649 175.900 -0.385 0.000 0.977 457 Y CA -0.346 57.677 58.100 -0.129 0.000 1.214 457 Y CB 0.505 38.892 38.460 -0.121 0.000 1.124 457 Y HN 0.526 nan 8.280 nan 0.000 0.521 458 D N 9.012 128.893 120.400 -0.865 0.000 2.396 458 D HA 0.221 4.862 4.640 0.002 0.000 0.225 458 D C -1.827 173.969 176.300 -0.841 0.000 1.121 458 D CA -2.665 50.643 54.000 -1.154 0.000 0.853 458 D CB 1.645 41.776 40.800 -1.115 0.000 1.043 458 D HN 0.304 nan 8.370 nan 0.000 0.500 459 P HA -0.145 nan 4.420 nan 0.000 0.221 459 P C 0.606 177.770 177.300 -0.227 0.000 1.145 459 P CA 0.990 63.934 63.100 -0.261 0.000 0.795 459 P CB 0.378 32.116 31.700 0.064 0.000 0.775 460 K N -0.383 119.886 120.400 -0.218 0.000 2.404 460 K HA 0.051 4.372 4.320 0.002 0.000 0.194 460 K C 0.948 177.406 176.600 -0.237 0.000 1.023 460 K CA -0.126 56.060 56.287 -0.169 0.000 1.094 460 K CB 0.118 32.564 32.500 -0.091 0.000 0.841 460 K HN 0.246 nan 8.250 nan 0.000 0.523 461 E N 1.405 121.404 120.200 -0.335 0.000 2.413 461 E HA -0.005 4.346 4.350 0.002 0.000 0.263 461 E C -0.887 175.502 176.600 -0.351 0.000 1.015 461 E CA 0.452 56.613 56.400 -0.399 0.000 0.916 461 E CB 0.715 30.114 29.700 -0.502 0.000 0.947 461 E HN -0.137 nan 8.360 nan 0.000 0.440 462 T N 4.237 118.524 114.554 -0.446 0.000 2.807 462 T HA 0.426 4.777 4.350 0.002 0.000 0.279 462 T C -1.180 173.272 174.700 -0.414 0.000 0.993 462 T CA -0.441 61.480 62.100 -0.299 0.000 0.970 462 T CB 0.276 68.996 68.868 -0.247 0.000 0.950 462 T HN 0.261 nan 8.240 nan 0.000 0.441 463 F N 2.129 122.077 119.950 -0.004 0.000 2.434 463 F HA 0.411 4.940 4.527 0.002 0.000 0.367 463 F C 0.782 176.618 175.800 0.059 0.000 1.093 463 F CA -0.792 57.169 58.000 -0.066 0.000 1.085 463 F CB 1.418 40.290 39.000 -0.212 0.000 1.322 463 F HN 0.395 nan 8.300 nan 0.000 0.452 464 S N 1.508 117.281 115.700 0.121 0.000 2.505 464 S HA 0.335 4.806 4.470 0.002 0.000 0.276 464 S C 0.677 175.247 174.600 -0.051 0.000 1.274 464 S CA -0.125 58.030 58.200 -0.075 0.000 1.053 464 S CB 0.381 63.514 63.200 -0.111 0.000 0.919 464 S HN 0.675 nan 8.310 nan 0.000 0.490 465 S N 2.336 117.991 115.700 -0.074 0.000 2.952 465 S HA 0.106 4.577 4.470 0.002 0.000 0.251 465 S C 1.248 175.914 174.600 0.110 0.000 1.021 465 S CA 0.084 58.379 58.200 0.159 0.000 1.067 465 S CB -0.147 63.163 63.200 0.183 0.000 1.002 465 S HN 0.755 nan 8.310 nan 0.000 0.574 466 S N 1.139 116.812 115.700 -0.045 0.000 2.423 466 S HA 0.078 4.549 4.470 0.002 0.000 0.231 466 S C 1.680 176.283 174.600 0.006 0.000 1.014 466 S CA 0.994 59.147 58.200 -0.078 0.000 0.965 466 S CB -0.761 62.334 63.200 -0.176 0.000 0.785 466 S HN 0.657 nan 8.310 nan 0.000 0.495 467 G N -0.765 108.078 108.800 0.072 0.000 3.126 467 G HA2 0.180 4.141 3.960 0.002 0.000 0.224 467 G HA3 0.180 4.141 3.960 0.002 0.000 0.224 467 G C 0.057 175.014 174.900 0.096 0.000 1.142 467 G CA -0.551 44.589 45.100 0.068 0.000 0.759 467 G HN 0.542 nan 8.290 nan 0.000 0.550 468 Y N 1.362 121.678 120.300 0.027 0.000 2.597 468 Y HA 0.329 4.880 4.550 0.001 0.000 0.336 468 Y C 1.293 177.200 175.900 0.011 0.000 1.216 468 Y CA 0.872 58.945 58.100 -0.045 0.000 1.463 468 Y CB 0.772 39.186 38.460 -0.076 0.000 1.303 468 Y HN 0.277 nan 8.280 nan 0.000 0.576 469 G N 3.425 111.938 108.800 -0.477 0.000 2.246 469 G HA2 0.031 3.992 3.960 0.002 0.000 0.273 469 G HA3 0.031 3.992 3.960 0.002 0.000 0.273 469 G C 0.883 175.725 174.900 -0.096 0.000 1.055 469 G CA 0.794 45.776 45.100 -0.196 0.000 0.851 469 G HN 2.072 nan 8.290 nan 0.000 0.500 470 G N -1.184 107.538 108.800 -0.130 0.000 5.353 470 G HA2 -0.008 3.953 3.960 0.002 0.000 0.283 470 G HA3 -0.008 3.953 3.960 0.002 0.000 0.283 470 G C 1.025 175.910 174.900 -0.023 0.000 1.457 470 G CA 1.498 46.554 45.100 -0.073 0.000 0.951 470 G HN 2.326 nan 8.290 nan 0.000 0.731 471 S N 0.520 116.226 115.700 0.009 0.000 3.022 471 S HA 0.414 4.885 4.470 0.002 0.000 0.247 471 S C -0.595 174.029 174.600 0.041 0.000 0.845 471 S CA 0.200 58.409 58.200 0.016 0.000 1.104 471 S CB 0.839 64.046 63.200 0.010 0.000 1.228 471 S HN 0.562 nan 8.310 nan 0.000 0.532 472 D N 2.465 122.919 120.400 0.090 0.000 2.361 472 D HA 0.120 4.761 4.640 0.002 0.000 0.239 472 D C 0.042 176.431 176.300 0.148 0.000 1.200 472 D CA 0.304 54.408 54.000 0.174 0.000 0.915 472 D CB 0.344 41.262 40.800 0.197 0.000 1.170 472 D HN 0.415 nan 8.370 nan 0.000 0.444 473 H N 0.430 119.551 119.070 0.086 0.000 2.723 473 H HA 0.218 4.775 4.556 0.002 0.000 0.294 473 H C 0.213 175.589 175.328 0.080 0.000 1.079 473 H CA 0.176 56.266 56.048 0.071 0.000 1.411 473 H CB 1.114 30.913 29.762 0.060 0.000 1.439 473 H HN 0.345 nan 8.280 nan 0.000 0.474 474 T N 1.465 116.086 114.554 0.111 0.000 3.676 474 T HA -0.068 4.283 4.350 0.002 0.000 0.305 474 T C 0.441 175.163 174.700 0.037 0.000 0.871 474 T CA 0.288 62.445 62.100 0.095 0.000 1.057 474 T CB 0.273 69.199 68.868 0.097 0.000 1.136 474 T HN 0.622 nan 8.240 nan 0.000 0.560 475 D N 0.052 120.411 120.400 -0.068 0.000 3.958 475 D HA -0.140 4.501 4.640 0.002 0.000 0.210 475 D C -0.164 175.785 176.300 -0.584 0.000 1.329 475 D CA 2.199 56.025 54.000 -0.290 0.000 2.355 475 D CB -0.791 39.895 40.800 -0.191 0.000 1.233 475 D HN 0.505 nan 8.370 nan 0.000 0.407 476 F N 0.186 120.157 119.950 0.035 0.000 2.556 476 F HA 0.711 5.239 4.527 0.002 0.000 0.314 476 F C 0.463 176.265 175.800 0.004 0.000 1.106 476 F CA -0.652 57.362 58.000 0.023 0.000 0.911 476 F CB 2.040 41.051 39.000 0.019 0.000 1.190 476 F HN 0.096 nan 8.300 nan 0.000 0.448 477 A N 1.522 124.428 122.820 0.143 0.000 2.256 477 A HA 0.863 5.184 4.320 0.002 0.000 0.318 477 A C -0.251 177.299 177.584 -0.056 0.000 1.103 477 A CA -0.403 51.616 52.037 -0.029 0.000 0.860 477 A CB 0.444 19.319 19.000 -0.208 0.000 1.182 477 A HN 0.970 nan 8.150 nan 0.000 0.501 478 A N 0.654 123.376 122.820 -0.164 0.000 2.445 478 A HA 0.369 4.690 4.320 0.002 0.000 0.242 478 A C 0.408 177.792 177.584 -0.333 0.000 1.075 478 A CA -0.231 51.725 52.037 -0.135 0.000 0.777 478 A CB -0.287 18.673 19.000 -0.068 0.000 1.013 478 A HN 0.798 nan 8.150 nan 0.000 0.493 479 N N 1.235 119.823 118.700 -0.187 0.000 2.399 479 N HA 0.052 4.793 4.740 0.002 0.000 0.259 479 N C -0.062 175.350 175.510 -0.164 0.000 1.160 479 N CA -0.040 52.841 53.050 -0.281 0.000 0.946 479 N CB 0.689 39.103 38.487 -0.121 0.000 1.156 479 N HN 0.610 nan 8.380 nan 0.000 0.489 480 D N 2.321 122.511 120.400 -0.350 0.000 2.363 480 D HA 0.101 4.742 4.640 0.002 0.000 0.214 480 D C 0.916 177.320 176.300 0.173 0.000 1.093 480 D CA 0.099 54.115 54.000 0.027 0.000 0.837 480 D CB -0.430 40.277 40.800 -0.155 0.000 0.948 480 D HN 0.613 nan 8.370 nan 0.000 0.507 481 G N 0.200 109.011 108.800 0.018 0.000 2.203 481 G HA2 -0.216 3.745 3.960 0.002 0.000 0.263 481 G HA3 -0.216 3.745 3.960 0.002 0.000 0.263 481 G C 0.630 175.646 174.900 0.192 0.000 1.012 481 G CA 0.426 45.590 45.100 0.107 0.000 0.749 481 G HN 0.768 nan 8.290 nan 0.000 0.512 482 G N -1.269 107.594 108.800 0.104 0.000 2.849 482 G HA2 0.603 4.564 3.960 0.002 0.000 0.174 482 G HA3 0.603 4.564 3.960 0.002 0.000 0.174 482 G C 0.089 175.014 174.900 0.041 0.000 1.370 482 G CA -0.339 44.811 45.100 0.083 0.000 1.040 482 G HN 0.503 nan 8.290 nan 0.000 0.582 483 Q N -0.188 119.468 119.800 -0.241 0.000 2.260 483 Q HA 0.349 4.690 4.340 0.002 0.000 0.242 483 Q C 0.142 176.055 176.000 -0.145 0.000 0.932 483 Q CA -0.332 55.195 55.803 -0.460 0.000 0.891 483 Q CB 1.320 29.706 28.738 -0.588 0.000 1.222 483 Q HN 0.314 nan 8.270 nan 0.000 0.453 484 R N 0.816 121.205 120.500 -0.185 0.000 2.758 484 R HA -0.005 4.336 4.340 0.002 0.000 0.263 484 R C -0.457 175.734 176.300 -0.181 0.000 1.010 484 R CA 0.305 56.307 56.100 -0.163 0.000 1.114 484 R CB 0.066 30.250 30.300 -0.193 0.000 0.985 484 R HN 0.448 nan 8.270 nan 0.000 0.439 485 L N 4.817 125.901 121.223 -0.230 0.000 2.270 485 L HA 0.311 4.652 4.340 0.002 0.000 0.286 485 L C -2.006 174.771 176.870 -0.155 0.000 1.059 485 L CA -2.209 52.400 54.840 -0.385 0.000 0.839 485 L CB 0.849 42.457 42.059 -0.753 0.000 1.221 485 L HN 0.315 nan 8.230 nan 0.000 0.431 486 P HA 0.380 nan 4.420 nan 0.000 0.273 486 P C 0.380 177.627 177.300 -0.087 0.000 1.250 486 P CA 0.100 63.093 63.100 -0.178 0.000 0.793 486 P CB 0.811 32.389 31.700 -0.204 0.000 1.011 487 G N -0.006 108.561 108.800 -0.389 0.000 2.728 487 G HA2 -0.161 3.800 3.960 0.002 0.000 0.294 487 G HA3 -0.161 3.800 3.960 0.002 0.000 0.294 487 G C -1.002 173.895 174.900 -0.005 0.000 1.342 487 G CA -0.762 44.299 45.100 -0.065 0.000 0.866 487 G HN 0.544 nan 8.290 nan 0.000 0.534 488 K N 1.209 121.651 120.400 0.070 0.000 2.187 488 K HA 0.448 4.769 4.320 0.002 0.000 0.242 488 K C 1.038 177.666 176.600 0.046 0.000 1.179 488 K CA 0.465 56.772 56.287 0.033 0.000 1.097 488 K CB 0.212 32.733 32.500 0.034 0.000 1.634 488 K HN 2.200 nan 8.250 nan 0.000 0.335 489 G N 2.449 111.272 108.800 0.038 0.000 2.326 489 G HA2 -0.233 3.728 3.960 0.002 0.000 0.286 489 G HA3 -0.233 3.728 3.960 0.002 0.000 0.286 489 G C -0.260 174.786 174.900 0.243 0.000 1.096 489 G CA -0.255 44.884 45.100 0.064 0.000 1.003 489 G HN 0.768 nan 8.290 nan 0.000 0.503 490 W N -2.199 119.117 121.300 0.028 0.000 4.754 490 W HA -0.149 4.512 4.660 0.001 0.000 0.389 490 W C -0.437 176.174 176.519 0.153 0.000 1.497 490 W CA -0.045 57.360 57.345 0.100 0.000 0.851 490 W CB -1.556 27.969 29.460 0.108 0.000 2.661 490 W HN 0.668 nan 8.180 nan 0.000 1.339 491 I N 1.226 121.955 120.570 0.265 0.000 2.646 491 I HA 0.683 4.854 4.170 0.002 0.000 0.299 491 I C 0.874 177.106 176.117 0.192 0.000 1.036 491 I CA -0.382 60.998 61.300 0.133 0.000 1.074 491 I CB 1.558 39.599 38.000 0.068 0.000 1.258 491 I HN 0.045 nan 8.210 nan 0.000 0.430 492 A N 8.624 131.483 122.820 0.064 0.000 2.406 492 A HA 0.576 4.897 4.320 0.002 0.000 0.243 492 A C -2.385 175.142 177.584 -0.095 0.000 1.082 492 A CA -0.783 51.239 52.037 -0.025 0.000 0.786 492 A CB -0.582 18.358 19.000 -0.099 0.000 1.029 492 A HN 0.508 nan 8.150 nan 0.000 0.495 493 P HA 0.225 nan 4.420 nan 0.000 0.276 493 P C 0.364 177.532 177.300 -0.220 0.000 1.252 493 P CA -0.424 62.504 63.100 -0.286 0.000 0.802 493 P CB 0.842 32.182 31.700 -0.599 0.000 1.035 494 R N 1.470 121.878 120.500 -0.153 0.000 2.083 494 R HA -0.111 4.230 4.340 0.002 0.000 0.237 494 R C 0.429 176.624 176.300 -0.174 0.000 1.137 494 R CA 2.364 58.386 56.100 -0.131 0.000 0.951 494 R CB -0.624 29.622 30.300 -0.090 0.000 0.851 494 R HN 0.727 nan 8.270 nan 0.000 0.434 495 D N -3.545 116.727 120.400 -0.212 0.000 2.838 495 D HA 0.019 4.660 4.640 0.002 0.000 0.334 495 D C 0.358 176.472 176.300 -0.311 0.000 1.315 495 D CA -0.469 53.391 54.000 -0.234 0.000 0.917 495 D CB -0.248 40.442 40.800 -0.184 0.000 1.435 495 D HN -0.040 nan 8.370 nan 0.000 0.517 496 L N 0.515 121.537 121.223 -0.335 0.000 2.056 496 L HA 0.086 4.427 4.340 0.002 0.000 0.207 496 L C 2.242 178.845 176.870 -0.445 0.000 1.078 496 L CA 2.062 56.605 54.840 -0.494 0.000 0.749 496 L CB -0.789 40.941 42.059 -0.548 0.000 0.901 496 L HN 0.659 nan 8.230 nan 0.000 0.433 497 K N -0.357 119.858 120.400 -0.308 0.000 2.015 497 K HA -0.315 4.006 4.320 0.002 0.000 0.216 497 K C 2.187 178.669 176.600 -0.198 0.000 1.052 497 K CA 2.330 58.479 56.287 -0.230 0.000 0.937 497 K CB -0.335 32.069 32.500 -0.159 0.000 0.719 497 K HN 0.511 nan 8.250 nan 0.000 0.446 498 E N 0.222 120.314 120.200 -0.179 0.000 2.110 498 E HA -0.235 4.116 4.350 0.002 0.000 0.193 498 E C 2.117 178.646 176.600 -0.118 0.000 0.988 498 E CA 1.386 57.715 56.400 -0.119 0.000 0.804 498 E CB -0.089 29.545 29.700 -0.111 0.000 0.745 498 E HN 0.398 nan 8.360 nan 0.000 0.458 499 M N 0.324 119.736 119.600 -0.312 0.000 2.065 499 M HA -0.202 4.279 4.480 0.002 0.000 0.259 499 M C 1.949 178.165 176.300 -0.139 0.000 1.069 499 M CA 1.568 56.607 55.300 -0.435 0.000 1.110 499 M CB -0.021 32.147 32.600 -0.720 0.000 1.328 499 M HN 0.177 nan 8.290 nan 0.000 0.405 500 L N -0.258 120.803 121.223 -0.270 0.000 2.291 500 L HA -0.063 4.278 4.340 0.002 0.000 0.214 500 L C 2.435 179.298 176.870 -0.011 0.000 1.120 500 L CA 0.737 55.484 54.840 -0.156 0.000 0.799 500 L CB -0.790 41.095 42.059 -0.289 0.000 0.925 500 L HN 0.408 nan 8.230 nan 0.000 0.446 501 A N -0.199 122.611 122.820 -0.016 0.000 2.218 501 A HA 0.279 4.600 4.320 0.002 0.000 0.209 501 A C 1.436 179.049 177.584 0.048 0.000 1.168 501 A CA 0.697 52.739 52.037 0.008 0.000 0.804 501 A CB -0.402 18.587 19.000 -0.017 0.000 0.834 501 A HN 0.360 nan 8.150 nan 0.000 0.482 502 G N -0.093 108.789 108.800 0.136 0.000 2.773 502 G HA2 0.383 4.343 3.960 0.002 0.000 0.186 502 G HA3 0.383 4.343 3.960 0.002 0.000 0.186 502 G C -0.165 174.704 174.900 -0.053 0.000 1.411 502 G CA 0.464 45.623 45.100 0.098 0.000 1.054 502 G HN 0.281 nan 8.290 nan 0.000 0.579 503 D N -1.013 119.154 120.400 -0.389 0.000 2.755 503 D HA 0.180 4.821 4.640 0.002 0.000 0.257 503 D C 0.188 176.221 176.300 -0.447 0.000 1.291 503 D CA -0.441 53.338 54.000 -0.368 0.000 0.836 503 D CB -0.184 40.405 40.800 -0.352 0.000 1.059 503 D HN 0.200 nan 8.370 nan 0.000 0.486 504 F N 0.136 120.079 119.950 -0.010 0.000 2.776 504 F HA 0.233 4.761 4.527 0.002 0.000 0.300 504 F C 1.349 177.120 175.800 -0.048 0.000 1.116 504 F CA -0.665 57.338 58.000 0.006 0.000 1.375 504 F CB 0.144 39.152 39.000 0.014 0.000 1.109 504 F HN -0.140 nan 8.300 nan 0.000 0.585 505 R N 1.100 121.549 120.500 -0.085 0.000 2.401 505 R HA 0.136 4.477 4.340 0.002 0.000 0.299 505 R C 0.840 176.976 176.300 -0.273 0.000 1.064 505 R CA 0.832 56.627 56.100 -0.509 0.000 1.000 505 R CB 0.400 30.410 30.300 -0.484 0.000 0.973 505 R HN 0.198 nan 8.270 nan 0.000 0.438 506 T N 0.056 114.455 114.554 -0.259 0.000 3.016 506 T HA 0.402 4.753 4.350 0.002 0.000 0.271 506 T C 0.492 175.153 174.700 -0.065 0.000 0.968 506 T CA 0.032 62.063 62.100 -0.115 0.000 0.891 506 T CB 0.813 69.650 68.868 -0.052 0.000 1.149 506 T HN 0.602 nan 8.240 nan 0.000 0.524 507 G N 0.236 108.972 108.800 -0.108 0.000 2.506 507 G HA2 0.533 4.494 3.960 0.002 0.000 0.292 507 G HA3 0.533 4.494 3.960 0.002 0.000 0.292 507 G C -2.343 172.534 174.900 -0.038 0.000 1.425 507 G CA -0.735 44.351 45.100 -0.024 0.000 0.788 507 G HN 0.164 nan 8.290 nan 0.000 0.490 508 K N 0.904 121.318 120.400 0.022 0.000 2.601 508 K HA 0.393 4.714 4.320 0.002 0.000 0.249 508 K C -0.531 176.112 176.600 0.071 0.000 0.966 508 K CA -0.679 55.627 56.287 0.032 0.000 0.827 508 K CB 1.440 33.956 32.500 0.027 0.000 1.178 508 K HN 0.501 nan 8.250 nan 0.000 0.437 509 I N 5.874 126.493 120.570 0.082 0.000 2.587 509 I HA -0.058 4.113 4.170 0.002 0.000 0.284 509 I C 1.483 177.650 176.117 0.084 0.000 1.134 509 I CA 0.218 61.583 61.300 0.108 0.000 1.410 509 I CB 0.528 38.612 38.000 0.140 0.000 1.392 509 I HN 0.497 nan 8.210 nan 0.000 0.545 510 L N 6.268 127.538 121.223 0.078 0.000 2.388 510 L HA 0.460 4.801 4.340 0.002 0.000 0.209 510 L C 0.746 177.656 176.870 0.066 0.000 1.061 510 L CA 0.168 55.054 54.840 0.076 0.000 0.834 510 L CB 0.054 42.169 42.059 0.094 0.000 1.029 510 L HN 0.754 nan 8.230 nan 0.000 0.473 511 A N 0.246 123.076 122.820 0.016 0.000 2.605 511 A HA 0.677 4.998 4.320 0.002 0.000 0.294 511 A C -1.806 175.642 177.584 -0.227 0.000 1.062 511 A CA -0.447 51.579 52.037 -0.017 0.000 0.682 511 A CB 1.629 20.720 19.000 0.152 0.000 1.278 511 A HN 0.108 nan 8.150 nan 0.000 0.410 512 Q N -0.023 119.659 119.800 -0.196 0.000 2.594 512 Q HA 0.766 5.107 4.340 0.002 0.000 0.278 512 Q C -0.473 175.450 176.000 -0.128 0.000 0.961 512 Q CA -0.129 55.487 55.803 -0.312 0.000 0.844 512 Q CB 0.979 29.343 28.738 -0.623 0.000 1.475 512 Q HN 2.429 nan 8.270 nan 0.000 0.389 513 G N 0.286 109.067 108.800 -0.033 0.000 2.355 513 G HA2 0.542 4.503 3.960 0.002 0.000 0.296 513 G HA3 0.542 4.503 3.960 0.002 0.000 0.296 513 G C -1.944 172.973 174.900 0.028 0.000 1.507 513 G CA -0.419 44.629 45.100 -0.086 0.000 0.823 513 G HN 1.034 nan 8.290 nan 0.000 0.569 514 F N -0.510 119.363 119.950 -0.129 0.000 2.603 514 F HA 0.861 5.390 4.527 0.002 0.000 0.317 514 F C 0.789 176.189 175.800 -0.666 0.000 1.066 514 F CA -0.997 56.783 58.000 -0.367 0.000 0.941 514 F CB 0.732 39.625 39.000 -0.179 0.000 1.291 514 F HN 1.067 nan 8.300 nan 0.000 0.472 515 G N 1.086 109.353 108.800 -0.889 0.000 3.483 515 G HA2 0.123 4.084 3.960 0.002 0.000 0.255 515 G HA3 0.123 4.084 3.960 0.002 0.000 0.255 515 G C -1.942 172.689 174.900 -0.448 0.000 1.284 515 G CA -0.437 44.037 45.100 -1.044 0.000 0.913 515 G HN 0.588 nan 8.290 nan 0.000 0.633 516 P HA -0.043 nan 4.420 nan 0.000 0.215 516 P C 0.542 177.773 177.300 -0.115 0.000 1.153 516 P CA 1.416 64.356 63.100 -0.266 0.000 0.853 516 P CB 0.131 31.643 31.700 -0.312 0.000 0.788 517 D N -1.994 118.368 120.400 -0.063 0.000 2.264 517 D HA 0.070 4.711 4.640 0.002 0.000 0.250 517 D C 1.103 177.446 176.300 0.072 0.000 1.113 517 D CA -0.342 53.663 54.000 0.009 0.000 0.871 517 D CB 0.290 41.104 40.800 0.024 0.000 1.167 517 D HN -0.231 nan 8.370 nan 0.000 0.447 518 N N 2.171 120.934 118.700 0.106 0.000 2.244 518 N HA -0.184 4.556 4.740 0.002 0.000 0.183 518 N C 1.341 176.966 175.510 0.191 0.000 1.016 518 N CA 1.104 54.290 53.050 0.226 0.000 0.866 518 N CB 0.205 38.795 38.487 0.171 0.000 0.980 518 N HN 0.403 nan 8.380 nan 0.000 0.430 519 Q N -0.481 119.386 119.800 0.112 0.000 2.134 519 Q HA 0.072 4.413 4.340 0.002 0.000 0.195 519 Q C -0.040 175.999 176.000 0.064 0.000 0.958 519 Q CA 1.250 57.108 55.803 0.092 0.000 0.840 519 Q CB 0.195 28.986 28.738 0.089 0.000 0.918 519 Q HN 0.332 nan 8.270 nan 0.000 0.467 520 T N -0.578 114.009 114.554 0.054 0.000 3.466 520 T HA 0.470 4.821 4.350 0.002 0.000 0.297 520 T C -2.783 171.933 174.700 0.026 0.000 1.640 520 T CA -1.918 60.205 62.100 0.039 0.000 1.631 520 T CB 0.924 69.822 68.868 0.051 0.000 0.928 520 T HN 0.056 nan 8.240 nan 0.000 0.688 521 P HA 0.219 nan 4.420 nan 0.000 0.267 521 P C 0.118 177.422 177.300 0.008 0.000 1.205 521 P CA 0.011 63.103 63.100 -0.013 0.000 0.765 521 P CB 0.983 32.685 31.700 0.004 0.000 0.828 522 D N 1.551 121.953 120.400 0.004 0.000 2.182 522 D HA -0.102 4.539 4.640 0.002 0.000 0.201 522 D C 0.663 177.058 176.300 0.158 0.000 0.986 522 D CA 1.869 55.917 54.000 0.081 0.000 0.847 522 D CB -0.308 40.571 40.800 0.132 0.000 0.942 522 D HN 0.580 nan 8.370 nan 0.000 0.467 523 Y N -2.497 117.861 120.300 0.096 0.000 2.553 523 Y HA 0.661 5.212 4.550 0.002 0.000 0.347 523 Y C -0.999 175.060 175.900 0.266 0.000 1.019 523 Y CA -1.163 57.024 58.100 0.146 0.000 1.032 523 Y CB 1.284 39.797 38.460 0.088 0.000 1.284 523 Y HN -0.407 nan 8.280 nan 0.000 0.466 524 T N 3.501 118.344 114.554 0.480 0.000 2.937 524 T HA 0.324 4.675 4.350 0.002 0.000 0.297 524 T C -2.181 172.859 174.700 0.567 0.000 0.991 524 T CA -0.515 61.849 62.100 0.440 0.000 0.990 524 T CB 0.642 69.698 68.868 0.313 0.000 0.991 524 T HN 0.653 nan 8.240 nan 0.000 0.440 525 Y N 3.946 124.478 120.300 0.387 0.000 2.409 525 Y HA 0.802 5.352 4.550 0.001 0.000 0.343 525 Y C -1.811 174.257 175.900 0.280 0.000 0.973 525 Y CA -1.896 56.419 58.100 0.358 0.000 1.064 525 Y CB 1.259 39.928 38.460 0.347 0.000 1.207 525 Y HN 0.578 nan 8.280 nan 0.000 0.452 526 L N 6.350 127.500 121.223 -0.121 0.000 2.505 526 L HA 0.546 4.887 4.340 0.002 0.000 0.266 526 L C -1.816 175.025 176.870 -0.048 0.000 0.954 526 L CA -0.587 54.172 54.840 -0.135 0.000 0.852 526 L CB 1.891 44.047 42.059 0.162 0.000 1.282 526 L HN 0.722 nan 8.230 nan 0.000 0.403 527 K N 3.075 123.360 120.400 -0.192 0.000 2.397 527 K HA 0.881 5.202 4.320 0.002 0.000 0.253 527 K C -0.904 175.765 176.600 0.115 0.000 0.932 527 K CA -0.540 55.764 56.287 0.027 0.000 0.795 527 K CB 1.936 34.461 32.500 0.042 0.000 1.159 527 K HN 0.841 nan 8.250 nan 0.000 0.424 528 G N 1.914 110.811 108.800 0.160 0.000 2.620 528 G HA2 0.216 4.177 3.960 0.002 0.000 0.301 528 G HA3 0.216 4.177 3.960 0.002 0.000 0.301 528 G C -1.700 173.268 174.900 0.113 0.000 1.347 528 G CA -0.434 44.761 45.100 0.157 0.000 0.971 528 G HN 0.600 nan 8.290 nan 0.000 0.488 529 D N 1.543 122.000 120.400 0.095 0.000 2.329 529 D HA 0.228 4.869 4.640 0.002 0.000 0.232 529 D C 1.022 177.372 176.300 0.084 0.000 1.088 529 D CA -0.513 53.531 54.000 0.073 0.000 0.835 529 D CB 1.326 42.160 40.800 0.056 0.000 1.078 529 D HN 0.391 nan 8.370 nan 0.000 0.495 530 I N 0.978 121.612 120.570 0.107 0.000 3.877 530 I HA 0.148 4.319 4.170 0.002 0.000 0.332 530 I C 1.009 177.248 176.117 0.205 0.000 1.525 530 I CA -0.520 60.871 61.300 0.151 0.000 1.146 530 I CB 0.320 38.446 38.000 0.211 0.000 1.137 530 I HN 0.020 nan 8.210 nan 0.000 0.424 531 T N 1.729 116.358 114.554 0.125 0.000 2.665 531 T HA -0.227 4.124 4.350 0.002 0.000 0.268 531 T C 2.147 176.929 174.700 0.137 0.000 1.035 531 T CA 2.126 64.296 62.100 0.117 0.000 1.151 531 T CB -0.189 68.703 68.868 0.040 0.000 0.862 531 T HN 0.638 nan 8.240 nan 0.000 0.438 532 A N 1.300 124.156 122.820 0.060 0.000 2.076 532 A HA 0.147 4.468 4.320 0.002 0.000 0.220 532 A C 2.555 180.130 177.584 -0.015 0.000 1.160 532 A CA 1.670 53.707 52.037 0.000 0.000 0.653 532 A CB -0.901 18.064 19.000 -0.059 0.000 0.801 532 A HN 0.548 nan 8.150 nan 0.000 0.455 533 A N -1.851 120.976 122.820 0.012 0.000 2.066 533 A HA 0.268 4.589 4.320 0.002 0.000 0.218 533 A C 0.755 178.175 177.584 -0.272 0.000 1.157 533 A CA 0.527 52.481 52.037 -0.139 0.000 0.670 533 A CB -0.283 18.602 19.000 -0.193 0.000 0.804 533 A HN 0.493 nan 8.150 nan 0.000 0.453 534 Y N -0.525 119.749 120.300 -0.043 0.000 2.568 534 Y HA 0.470 5.021 4.550 0.002 0.000 0.327 534 Y C 1.263 177.111 175.900 -0.087 0.000 1.163 534 Y CA -0.536 57.532 58.100 -0.053 0.000 1.219 534 Y CB 0.865 39.308 38.460 -0.028 0.000 1.308 534 Y HN 0.161 nan 8.280 nan 0.000 0.503 535 S N 0.197 115.929 115.700 0.054 0.000 2.625 535 S HA 0.366 4.837 4.470 0.002 0.000 0.262 535 S C 1.200 175.796 174.600 -0.006 0.000 1.223 535 S CA -0.196 57.975 58.200 -0.049 0.000 0.993 535 S CB 0.372 63.480 63.200 -0.154 0.000 1.051 535 S HN 0.825 nan 8.310 nan 0.000 0.562 536 A N 0.285 123.086 122.820 -0.032 0.000 2.248 536 A HA 0.006 4.327 4.320 0.002 0.000 0.210 536 A C 2.029 179.636 177.584 0.038 0.000 1.174 536 A CA 1.062 53.097 52.037 -0.003 0.000 0.750 536 A CB -1.030 17.963 19.000 -0.013 0.000 0.780 536 A HN 0.905 nan 8.150 nan 0.000 0.478 537 K N 0.057 120.477 120.400 0.035 0.000 2.360 537 K HA -0.022 4.299 4.320 0.002 0.000 0.201 537 K C 0.440 177.133 176.600 0.155 0.000 1.046 537 K CA 1.235 57.600 56.287 0.129 0.000 0.945 537 K CB -0.856 31.580 32.500 -0.106 0.000 0.750 537 K HN 0.434 nan 8.250 nan 0.000 0.464 538 V N -1.699 118.243 119.914 0.047 0.000 2.667 538 V HA 0.359 4.480 4.120 0.002 0.000 0.308 538 V C 0.432 176.521 176.094 -0.007 0.000 1.048 538 V CA -1.129 61.167 62.300 -0.005 0.000 0.928 538 V CB 2.077 33.830 31.823 -0.118 0.000 1.004 538 V HN -0.061 nan 8.190 nan 0.000 0.444 539 K N 1.005 121.391 120.400 -0.024 0.000 2.276 539 K HA 0.341 4.662 4.320 0.002 0.000 0.198 539 K C 0.314 176.896 176.600 -0.030 0.000 1.052 539 K CA 0.653 56.926 56.287 -0.022 0.000 0.984 539 K CB 0.793 33.278 32.500 -0.025 0.000 0.836 539 K HN 0.918 nan 8.250 nan 0.000 0.490 540 E N 0.425 120.592 120.200 -0.056 0.000 2.397 540 E HA 0.229 4.580 4.350 0.002 0.000 0.293 540 E C -1.854 174.686 176.600 -0.100 0.000 0.930 540 E CA -0.328 56.037 56.400 -0.058 0.000 0.793 540 E CB 2.063 31.733 29.700 -0.049 0.000 1.259 540 E HN -0.255 nan 8.360 nan 0.000 0.406 541 V N 4.270 124.136 119.914 -0.080 0.000 2.525 541 V HA 0.492 4.613 4.120 0.002 0.000 0.299 541 V C -0.566 175.507 176.094 -0.036 0.000 1.034 541 V CA -0.750 61.490 62.300 -0.100 0.000 0.863 541 V CB 1.741 33.463 31.823 -0.168 0.000 0.999 541 V HN 0.554 nan 8.190 nan 0.000 0.423 542 K N 3.611 123.972 120.400 -0.065 0.000 2.378 542 K HA 0.746 5.067 4.320 0.002 0.000 0.252 542 K C -0.779 175.770 176.600 -0.086 0.000 0.931 542 K CA -0.904 55.360 56.287 -0.039 0.000 0.794 542 K CB 3.071 35.555 32.500 -0.027 0.000 1.181 542 K HN 0.664 nan 8.250 nan 0.000 0.425 543 R N 1.331 121.791 120.500 -0.067 0.000 2.532 543 R HA 0.352 4.693 4.340 0.002 0.000 0.297 543 R C -1.366 174.806 176.300 -0.214 0.000 0.984 543 R CA -0.372 55.613 56.100 -0.191 0.000 0.884 543 R CB 1.531 31.689 30.300 -0.235 0.000 1.182 543 R HN 0.565 nan 8.270 nan 0.000 0.442 544 S N 4.340 119.929 115.700 -0.184 0.000 2.451 544 S HA 0.542 5.013 4.470 0.002 0.000 0.301 544 S C -1.093 173.475 174.600 -0.053 0.000 1.116 544 S CA -0.512 57.717 58.200 0.048 0.000 1.093 544 S CB 0.720 64.145 63.200 0.375 0.000 1.017 544 S HN 0.403 nan 8.310 nan 0.000 0.482 545 F N 2.022 122.158 119.950 0.309 0.000 2.458 545 F HA 0.601 5.129 4.527 0.002 0.000 0.336 545 F C -0.233 175.838 175.800 0.452 0.000 1.114 545 F CA -0.917 57.268 58.000 0.309 0.000 0.987 545 F CB 1.029 40.175 39.000 0.243 0.000 1.130 545 F HN 0.324 nan 8.300 nan 0.000 0.458 546 L N 4.789 126.367 121.223 0.592 0.000 2.377 546 L HA 0.481 4.822 4.340 0.002 0.000 0.270 546 L C -1.320 175.788 176.870 0.397 0.000 0.991 546 L CA -0.599 54.548 54.840 0.513 0.000 0.851 546 L CB 0.760 43.045 42.059 0.376 0.000 1.218 546 L HN 0.587 nan 8.230 nan 0.000 0.420 547 F N 5.577 125.691 119.950 0.274 0.000 2.410 547 F HA 0.584 5.112 4.527 0.001 0.000 0.348 547 F C -1.041 174.862 175.800 0.171 0.000 1.106 547 F CA -0.350 57.760 58.000 0.182 0.000 1.163 547 F CB 0.768 39.856 39.000 0.147 0.000 1.129 547 F HN 0.257 nan 8.300 nan 0.000 0.516 548 L N 6.084 126.944 121.223 -0.606 0.000 2.305 548 L HA 0.313 4.654 4.340 0.002 0.000 0.284 548 L C -0.458 175.993 176.870 -0.699 0.000 1.013 548 L CA -0.874 53.718 54.840 -0.412 0.000 0.819 548 L CB 1.312 43.232 42.059 -0.231 0.000 1.227 548 L HN 0.574 nan 8.230 nan 0.000 0.417 549 N N 3.938 122.461 118.700 -0.295 0.000 2.415 549 N HA 0.199 4.940 4.740 0.002 0.000 0.246 549 N C 0.463 175.922 175.510 -0.085 0.000 1.078 549 N CA -0.071 52.900 53.050 -0.131 0.000 0.942 549 N CB 1.018 39.555 38.487 0.084 0.000 1.140 549 N HN 0.626 nan 8.380 nan 0.000 0.501 550 L N 2.595 123.755 121.223 -0.106 0.000 2.599 550 L HA 0.082 4.423 4.340 0.002 0.000 0.230 550 L C 0.536 177.395 176.870 -0.018 0.000 1.141 550 L CA 0.023 54.824 54.840 -0.065 0.000 0.877 550 L CB -0.245 41.779 42.059 -0.058 0.000 1.009 550 L HN 0.448 nan 8.230 nan 0.000 0.447 551 K N 1.545 121.942 120.400 -0.003 0.000 3.257 551 K HA -0.222 4.099 4.320 0.002 0.000 0.270 551 K C -0.546 176.067 176.600 0.021 0.000 0.984 551 K CA 0.819 57.116 56.287 0.017 0.000 0.739 551 K CB -1.598 30.916 32.500 0.023 0.000 1.351 551 K HN 0.469 nan 8.250 nan 0.000 0.463 552 D N -2.063 118.349 120.400 0.020 0.000 2.977 552 D HA 0.538 5.179 4.640 0.002 0.000 0.220 552 D C 0.620 176.932 176.300 0.020 0.000 1.267 552 D CA 0.150 54.166 54.000 0.026 0.000 0.884 552 D CB 1.426 42.251 40.800 0.042 0.000 1.667 552 D HN 0.016 nan 8.370 nan 0.000 0.536 553 A N 3.575 126.412 122.820 0.028 0.000 1.969 553 A HA -0.093 4.228 4.320 0.002 0.000 0.218 553 A C 1.688 179.286 177.584 0.025 0.000 1.169 553 A CA 1.190 53.250 52.037 0.039 0.000 0.635 553 A CB -0.254 18.775 19.000 0.047 0.000 0.810 553 A HN 0.602 nan 8.150 nan 0.000 0.445 554 K N -0.733 119.669 120.400 0.004 0.000 2.007 554 K HA 0.040 4.361 4.320 0.002 0.000 0.206 554 K C -0.207 176.360 176.600 -0.056 0.000 1.047 554 K CA 1.261 57.536 56.287 -0.021 0.000 0.937 554 K CB -0.088 32.388 32.500 -0.040 0.000 0.718 554 K HN 0.240 nan 8.250 nan 0.000 0.438 555 V N 3.358 123.235 119.914 -0.061 0.000 2.320 555 V HA 0.096 4.217 4.120 0.002 0.000 0.268 555 V C -1.960 174.094 176.094 -0.065 0.000 1.021 555 V CA -1.195 61.058 62.300 -0.079 0.000 0.813 555 V CB 1.218 33.001 31.823 -0.066 0.000 1.054 555 V HN 0.081 nan 8.190 nan 0.000 0.444 556 P HA -0.008 nan 4.420 nan 0.000 0.218 556 P C 0.477 177.706 177.300 -0.120 0.000 1.149 556 P CA 1.316 64.347 63.100 -0.116 0.000 0.817 556 P CB 0.839 32.429 31.700 -0.183 0.000 0.785 557 A N -1.445 121.274 122.820 -0.169 0.000 2.609 557 A HA 0.734 5.055 4.320 0.002 0.000 0.291 557 A C -1.641 175.807 177.584 -0.226 0.000 1.096 557 A CA -0.136 51.744 52.037 -0.262 0.000 0.684 557 A CB 1.423 20.295 19.000 -0.212 0.000 1.282 557 A HN 0.181 nan 8.150 nan 0.000 0.412 558 A N 0.524 123.139 122.820 -0.342 0.000 2.572 558 A HA 0.849 5.170 4.320 0.002 0.000 0.295 558 A C -0.995 176.474 177.584 -0.190 0.000 1.072 558 A CA -0.276 51.652 52.037 -0.182 0.000 0.691 558 A CB 1.524 20.454 19.000 -0.117 0.000 1.291 558 A HN 1.418 nan 8.150 nan 0.000 0.404 559 M N 2.169 121.762 119.600 -0.012 0.000 2.263 559 M HA 0.591 5.072 4.480 0.002 0.000 0.295 559 M C -1.979 174.362 176.300 0.068 0.000 1.028 559 M CA -0.543 54.808 55.300 0.085 0.000 0.921 559 M CB 1.151 33.848 32.600 0.162 0.000 1.601 559 M HN 0.632 nan 8.290 nan 0.000 0.440 560 I N 4.841 125.487 120.570 0.127 0.000 2.359 560 I HA 0.461 4.632 4.170 0.002 0.000 0.294 560 I C -0.843 175.367 176.117 0.155 0.000 0.987 560 I CA -0.796 60.587 61.300 0.137 0.000 1.225 560 I CB 1.762 39.888 38.000 0.211 0.000 1.366 560 I HN 0.331 nan 8.210 nan 0.000 0.466 561 V N 6.705 126.662 119.914 0.071 0.000 2.444 561 V HA 0.371 4.492 4.120 0.002 0.000 0.294 561 V C -0.898 175.206 176.094 0.015 0.000 1.022 561 V CA -0.656 61.664 62.300 0.034 0.000 0.850 561 V CB 1.686 33.564 31.823 0.092 0.000 0.992 561 V HN 0.444 nan 8.190 nan 0.000 0.426 562 F N 4.461 124.210 119.950 -0.335 0.000 2.460 562 F HA 0.684 5.212 4.527 0.001 0.000 0.341 562 F C -0.481 175.202 175.800 -0.195 0.000 1.130 562 F CA -0.818 56.924 58.000 -0.430 0.000 0.962 562 F CB 1.250 39.555 39.000 -1.159 0.000 1.171 562 F HN 0.483 nan 8.300 nan 0.000 0.436 563 D N 5.082 125.176 120.400 -0.510 0.000 2.350 563 D HA 0.278 4.919 4.640 0.002 0.000 0.245 563 D C -1.125 174.865 176.300 -0.517 0.000 1.036 563 D CA -0.560 53.226 54.000 -0.356 0.000 0.848 563 D CB 2.433 43.265 40.800 0.054 0.000 1.307 563 D HN 0.501 nan 8.370 nan 0.000 0.469 564 K N 1.202 121.352 120.400 -0.418 0.000 2.358 564 K HA 0.513 4.834 4.320 0.002 0.000 0.260 564 K C -1.649 174.743 176.600 -0.348 0.000 0.956 564 K CA -0.638 55.347 56.287 -0.503 0.000 0.834 564 K CB 1.237 33.535 32.500 -0.338 0.000 1.102 564 K HN 0.137 nan 8.250 nan 0.000 0.431 565 V N 4.675 124.355 119.914 -0.390 0.000 2.443 565 V HA 0.332 4.453 4.120 0.002 0.000 0.293 565 V C -0.821 175.126 176.094 -0.245 0.000 1.021 565 V CA -0.941 61.218 62.300 -0.235 0.000 0.848 565 V CB 1.688 33.451 31.823 -0.100 0.000 0.998 565 V HN 0.519 nan 8.190 nan 0.000 0.424 566 V N 4.259 124.064 119.914 -0.182 0.000 2.326 566 V HA 0.745 4.866 4.120 0.002 0.000 0.281 566 V C 0.556 176.606 176.094 -0.073 0.000 1.015 566 V CA -0.503 61.718 62.300 -0.132 0.000 0.823 566 V CB 1.416 33.171 31.823 -0.113 0.000 1.009 566 V HN 0.957 nan 8.190 nan 0.000 0.436 567 A N 3.525 126.324 122.820 -0.036 0.000 2.302 567 A HA 0.595 4.916 4.320 0.002 0.000 0.285 567 A C 1.212 178.801 177.584 0.007 0.000 1.105 567 A CA -0.221 51.843 52.037 0.046 0.000 0.816 567 A CB 0.784 19.866 19.000 0.136 0.000 1.067 567 A HN 0.753 nan 8.150 nan 0.000 0.489 568 S N 0.627 116.360 115.700 0.055 0.000 2.489 568 S HA -0.007 4.464 4.470 0.002 0.000 0.228 568 S C 0.686 175.155 174.600 -0.217 0.000 0.995 568 S CA 0.541 58.721 58.200 -0.032 0.000 0.934 568 S CB -0.197 63.032 63.200 0.049 0.000 0.771 568 S HN 0.714 nan 8.310 nan 0.000 0.522 569 N N 0.528 118.946 118.700 -0.470 0.000 2.410 569 N HA 0.308 5.049 4.740 0.002 0.000 0.287 569 N C -2.743 172.495 175.510 -0.453 0.000 1.044 569 N CA -2.002 50.592 53.050 -0.760 0.000 0.881 569 N CB 2.037 39.407 38.487 -1.861 0.000 1.405 569 N HN -0.220 nan 8.380 nan 0.000 0.490 570 P HA 0.000 nan 4.420 nan 0.000 0.222 570 P C 0.155 177.403 177.300 -0.087 0.000 1.147 570 P CA 0.971 63.992 63.100 -0.130 0.000 0.790 570 P CB 0.427 32.067 31.700 -0.101 0.000 0.780 571 D N -1.497 118.821 120.400 -0.137 0.000 2.349 571 D HA 0.027 4.668 4.640 0.002 0.000 0.224 571 D C 0.235 176.633 176.300 0.164 0.000 1.029 571 D CA 0.222 54.211 54.000 -0.019 0.000 0.879 571 D CB -0.282 40.499 40.800 -0.032 0.000 0.906 571 D HN 0.280 nan 8.370 nan 0.000 0.528 572 F N 2.063 122.039 119.950 0.042 0.000 2.434 572 F HA 0.125 4.653 4.527 0.002 0.000 0.358 572 F C 0.954 176.820 175.800 0.111 0.000 1.136 572 F CA -0.950 57.100 58.000 0.082 0.000 1.157 572 F CB 0.408 39.439 39.000 0.051 0.000 1.167 572 F HN -0.494 nan 8.300 nan 0.000 0.539 573 K N 4.978 125.591 120.400 0.356 0.000 2.491 573 K HA 0.012 4.333 4.320 0.002 0.000 0.279 573 K C -0.285 176.460 176.600 0.242 0.000 1.026 573 K CA 0.420 56.843 56.287 0.226 0.000 1.070 573 K CB 0.444 33.108 32.500 0.274 0.000 0.887 573 K HN 0.540 nan 8.250 nan 0.000 0.481 574 K N 2.804 123.216 120.400 0.021 0.000 2.138 574 K HA 0.421 4.742 4.320 0.002 0.000 0.263 574 K C -0.828 175.747 176.600 -0.042 0.000 0.965 574 K CA -0.623 55.749 56.287 0.141 0.000 0.868 574 K CB 0.910 33.505 32.500 0.158 0.000 1.083 574 K HN 0.280 nan 8.250 nan 0.000 0.443 575 F N 1.205 121.342 119.950 0.311 0.000 2.561 575 F HA 0.279 4.807 4.527 0.001 0.000 0.313 575 F C -0.804 175.066 175.800 0.116 0.000 1.126 575 F CA -0.764 57.389 58.000 0.255 0.000 0.918 575 F CB 1.253 40.389 39.000 0.227 0.000 1.199 575 F HN 0.537 nan 8.300 nan 0.000 0.444 576 W N 6.394 127.638 121.300 -0.094 0.000 2.417 576 W HA 0.779 5.440 4.660 0.001 0.000 0.315 576 W C -1.892 174.590 176.519 -0.062 0.000 1.045 576 W CA -0.732 56.398 57.345 -0.358 0.000 1.221 576 W CB 1.023 29.868 29.460 -1.024 0.000 1.309 576 W HN 0.371 nan 8.180 nan 0.000 0.453 577 L N 7.294 128.216 121.223 -0.501 0.000 2.325 577 L HA 0.632 4.973 4.340 0.002 0.000 0.278 577 L C -0.894 175.544 176.870 -0.720 0.000 1.023 577 L CA -1.431 53.168 54.840 -0.401 0.000 0.811 577 L CB 1.402 43.317 42.059 -0.240 0.000 1.249 577 L HN 0.323 nan 8.230 nan 0.000 0.431 578 L N 2.947 123.954 121.223 -0.359 0.000 2.446 578 L HA 0.440 4.781 4.340 0.002 0.000 0.268 578 L C -0.710 176.098 176.870 -0.103 0.000 0.975 578 L CA -0.059 54.669 54.840 -0.187 0.000 0.848 578 L CB 1.047 43.185 42.059 0.133 0.000 1.225 578 L HN 0.442 nan 8.230 nan 0.000 0.410 579 H N 2.653 121.718 119.070 -0.009 0.000 2.487 579 H HA 0.764 5.321 4.556 0.001 0.000 0.333 579 H C -0.307 175.089 175.328 0.114 0.000 1.114 579 H CA -0.010 56.083 56.048 0.076 0.000 1.310 579 H CB 1.870 31.667 29.762 0.058 0.000 1.462 579 H HN 0.725 nan 8.280 nan 0.000 0.516 580 S N 1.692 117.553 115.700 0.268 0.000 2.638 580 S HA 0.372 4.843 4.470 0.002 0.000 0.274 580 S C 0.787 175.522 174.600 0.225 0.000 1.157 580 S CA -0.837 57.490 58.200 0.211 0.000 0.826 580 S CB 1.110 64.404 63.200 0.157 0.000 1.139 580 S HN 0.497 nan 8.310 nan 0.000 0.474 581 I N 0.785 121.452 120.570 0.162 0.000 2.206 581 I HA 0.060 4.231 4.170 0.002 0.000 0.239 581 I C 1.132 177.375 176.117 0.210 0.000 1.078 581 I CA 0.917 62.308 61.300 0.151 0.000 1.367 581 I CB -0.212 37.837 38.000 0.082 0.000 1.078 581 I HN 0.683 nan 8.210 nan 0.000 0.413 582 E N 0.791 121.062 120.200 0.118 0.000 2.254 582 E HA 0.191 4.541 4.350 0.002 0.000 0.261 582 E C -0.323 176.139 176.600 -0.231 0.000 1.051 582 E CA -0.659 55.758 56.400 0.029 0.000 0.902 582 E CB 0.643 30.327 29.700 -0.026 0.000 1.168 582 E HN 0.126 nan 8.360 nan 0.000 0.423 583 Q N 2.326 121.731 119.800 -0.658 0.000 2.289 583 Q HA 0.076 4.417 4.340 0.002 0.000 0.273 583 Q C -2.090 173.525 176.000 -0.642 0.000 1.029 583 Q CA -1.496 53.502 55.803 -1.341 0.000 0.896 583 Q CB 0.471 28.381 28.738 -1.379 0.000 1.182 583 Q HN 0.168 nan 8.270 nan 0.000 0.385 584 P HA 0.101 nan 4.420 nan 0.000 0.278 584 P C -1.181 175.987 177.300 -0.220 0.000 1.238 584 P CA -0.111 62.855 63.100 -0.224 0.000 0.794 584 P CB 0.946 32.599 31.700 -0.077 0.000 0.955 585 E N 2.698 122.822 120.200 -0.127 0.000 2.134 585 E HA 0.399 4.750 4.350 0.002 0.000 0.278 585 E C -0.078 176.496 176.600 -0.044 0.000 0.959 585 E CA -0.570 55.773 56.400 -0.095 0.000 0.783 585 E CB 1.307 30.961 29.700 -0.078 0.000 1.095 585 E HN 0.426 nan 8.360 nan 0.000 0.399 586 I N 2.417 122.968 120.570 -0.033 0.000 2.354 586 I HA 0.273 4.444 4.170 0.002 0.000 0.292 586 I C 0.310 176.424 176.117 -0.005 0.000 0.989 586 I CA -0.456 60.842 61.300 -0.003 0.000 1.188 586 I CB 1.108 39.116 38.000 0.014 0.000 1.342 586 I HN 0.122 nan 8.210 nan 0.000 0.457 587 K N 5.612 126.012 120.400 -0.000 0.000 2.656 587 K HA 0.515 4.836 4.320 0.002 0.000 0.241 587 K C 0.318 176.919 176.600 0.001 0.000 0.967 587 K CA 0.003 56.288 56.287 -0.002 0.000 0.946 587 K CB 1.156 33.652 32.500 -0.006 0.000 1.164 587 K HN 0.846 nan 8.250 nan 0.000 0.459 588 G N 3.889 112.691 108.800 0.003 0.000 2.596 588 G HA2 -0.418 3.543 3.960 0.002 0.000 0.304 588 G HA3 -0.418 3.543 3.960 0.002 0.000 0.304 588 G C 0.277 175.180 174.900 0.004 0.000 1.189 588 G CA 0.586 45.687 45.100 0.003 0.000 0.986 588 G HN 0.791 nan 8.290 nan 0.000 0.548 589 N N 1.310 120.010 118.700 -0.001 0.000 2.314 589 N HA 0.216 4.957 4.740 0.002 0.000 0.200 589 N C 0.619 176.127 175.510 -0.003 0.000 1.135 589 N CA 0.906 53.953 53.050 -0.006 0.000 0.835 589 N CB 0.677 39.155 38.487 -0.015 0.000 0.989 589 N HN 0.699 nan 8.380 nan 0.000 0.478 590 Q N 0.584 120.387 119.800 0.005 0.000 2.322 590 Q HA 0.556 4.897 4.340 0.002 0.000 0.265 590 Q C -1.279 174.734 176.000 0.022 0.000 0.985 590 Q CA -0.349 55.461 55.803 0.011 0.000 0.849 590 Q CB 1.502 30.244 28.738 0.006 0.000 1.274 590 Q HN 0.263 nan 8.270 nan 0.000 0.449 591 I N 2.833 123.427 120.570 0.041 0.000 2.355 591 I HA 0.356 4.527 4.170 0.002 0.000 0.288 591 I C -0.518 175.630 176.117 0.052 0.000 0.999 591 I CA -0.402 60.931 61.300 0.056 0.000 1.163 591 I CB 2.003 40.068 38.000 0.108 0.000 1.316 591 I HN 0.461 nan 8.210 nan 0.000 0.454 592 T N 7.195 121.763 114.554 0.023 0.000 2.771 592 T HA 0.650 5.001 4.350 0.002 0.000 0.281 592 T C -0.192 174.511 174.700 0.004 0.000 0.982 592 T CA -0.273 61.836 62.100 0.016 0.000 0.978 592 T CB 0.970 69.836 68.868 -0.003 0.000 0.930 592 T HN 0.253 nan 8.240 nan 0.000 0.447 593 I N 3.172 123.757 120.570 0.025 0.000 2.498 593 I HA 0.468 4.639 4.170 0.002 0.000 0.290 593 I C -0.162 175.966 176.117 0.019 0.000 1.032 593 I CA -0.765 60.546 61.300 0.018 0.000 1.073 593 I CB 1.883 39.919 38.000 0.061 0.000 1.251 593 I HN 0.338 nan 8.210 nan 0.000 0.426 594 K N 5.368 125.765 120.400 -0.004 0.000 2.426 594 K HA 0.610 4.931 4.320 0.002 0.000 0.251 594 K C -1.015 175.582 176.600 -0.005 0.000 0.941 594 K CA -1.123 55.163 56.287 -0.000 0.000 0.808 594 K CB 2.215 34.708 32.500 -0.012 0.000 1.265 594 K HN 0.298 nan 8.250 nan 0.000 0.432 595 R N 1.264 121.761 120.500 -0.004 0.000 2.346 595 R HA 0.259 4.600 4.340 0.002 0.000 0.311 595 R C 0.212 176.502 176.300 -0.016 0.000 0.983 595 R CA -0.223 55.869 56.100 -0.013 0.000 0.880 595 R CB 1.314 31.595 30.300 -0.033 0.000 1.100 595 R HN 0.931 nan 8.270 nan 0.000 0.453 596 T N -1.586 112.961 114.554 -0.012 0.000 3.144 596 T HA 0.348 4.699 4.350 0.002 0.000 0.290 596 T C 0.185 174.882 174.700 -0.005 0.000 0.966 596 T CA -0.318 61.775 62.100 -0.011 0.000 0.907 596 T CB 0.555 69.416 68.868 -0.012 0.000 1.152 596 T HN 0.320 nan 8.240 nan 0.000 0.532 597 K N 1.265 121.664 120.400 -0.002 0.000 2.444 597 K HA 0.557 4.878 4.320 0.002 0.000 0.252 597 K C -0.268 176.336 176.600 0.007 0.000 0.993 597 K CA -1.137 55.154 56.287 0.005 0.000 0.847 597 K CB 1.216 33.723 32.500 0.012 0.000 1.340 597 K HN -0.120 nan 8.250 nan 0.000 0.446 598 N N 0.135 118.843 118.700 0.013 0.000 2.741 598 N HA -0.223 4.517 4.740 0.002 0.000 0.251 598 N C 0.491 176.011 175.510 0.016 0.000 1.112 598 N CA 1.174 54.236 53.050 0.019 0.000 0.750 598 N CB -0.942 37.562 38.487 0.028 0.000 1.119 598 N HN 1.107 nan 8.380 nan 0.000 0.561 599 G N -0.624 108.179 108.800 0.006 0.000 2.159 599 G HA2 -0.280 3.681 3.960 0.002 0.000 0.256 599 G HA3 -0.280 3.681 3.960 0.002 0.000 0.256 599 G C -0.292 174.599 174.900 -0.015 0.000 0.977 599 G CA 0.574 45.674 45.100 0.000 0.000 0.652 599 G HN 0.490 nan 8.290 nan 0.000 0.531 600 D N 0.072 120.459 120.400 -0.021 0.000 2.304 600 D HA 0.588 5.229 4.640 0.002 0.000 0.247 600 D C 1.235 177.500 176.300 -0.059 0.000 1.089 600 D CA 0.584 54.551 54.000 -0.056 0.000 0.910 600 D CB 1.475 42.243 40.800 -0.054 0.000 1.199 600 D HN 0.485 nan 8.370 nan 0.000 0.426 601 S N -0.801 114.843 115.700 -0.092 0.000 2.993 601 S HA 0.277 4.748 4.470 0.002 0.000 0.257 601 S C 0.771 175.347 174.600 -0.040 0.000 0.997 601 S CA -0.577 57.589 58.200 -0.058 0.000 1.191 601 S CB 0.080 63.252 63.200 -0.047 0.000 1.143 601 S HN 0.430 nan 8.310 nan 0.000 0.655 602 G N 1.759 110.516 108.800 -0.072 0.000 2.636 602 G HA2 0.506 4.467 3.960 0.002 0.000 0.246 602 G HA3 0.506 4.467 3.960 0.002 0.000 0.246 602 G C -0.651 174.300 174.900 0.086 0.000 1.216 602 G CA -0.361 44.766 45.100 0.046 0.000 0.854 602 G HN 0.533 nan 8.290 nan 0.000 0.572 603 M N 0.975 120.664 119.600 0.148 0.000 2.371 603 M HA 0.586 5.067 4.480 0.002 0.000 0.287 603 M C -1.901 174.449 176.300 0.084 0.000 1.149 603 M CA -0.816 54.536 55.300 0.086 0.000 0.929 603 M CB 2.199 34.835 32.600 0.060 0.000 1.683 603 M HN 0.493 nan 8.290 nan 0.000 0.470 604 L N 5.370 126.640 121.223 0.078 0.000 2.362 604 L HA 0.829 5.170 4.340 0.002 0.000 0.275 604 L C -1.857 175.059 176.870 0.077 0.000 0.998 604 L CA -0.648 54.246 54.840 0.091 0.000 0.820 604 L CB 1.949 44.088 42.059 0.134 0.000 1.270 604 L HN 0.604 nan 8.230 nan 0.000 0.415 605 V N 4.088 124.043 119.914 0.068 0.000 2.409 605 V HA 0.353 4.474 4.120 0.002 0.000 0.290 605 V C -0.551 175.585 176.094 0.070 0.000 1.017 605 V CA -0.637 61.697 62.300 0.058 0.000 0.841 605 V CB 1.627 33.468 31.823 0.029 0.000 1.003 605 V HN 0.784 nan 8.190 nan 0.000 0.426 606 N N 2.767 121.521 118.700 0.089 0.000 2.422 606 N HA 0.380 5.121 4.740 0.002 0.000 0.266 606 N C -0.345 175.185 175.510 0.033 0.000 1.007 606 N CA -0.068 53.034 53.050 0.088 0.000 0.941 606 N CB 1.322 39.907 38.487 0.165 0.000 1.115 606 N HN 0.631 nan 8.380 nan 0.000 0.492 607 T N 2.501 117.058 114.554 0.006 0.000 2.733 607 T HA 0.496 4.847 4.350 0.002 0.000 0.294 607 T C -0.117 174.547 174.700 -0.059 0.000 0.956 607 T CA -0.541 61.548 62.100 -0.018 0.000 0.987 607 T CB 0.799 69.660 68.868 -0.012 0.000 0.920 607 T HN 0.592 nan 8.240 nan 0.000 0.470 608 A N 4.326 127.102 122.820 -0.073 0.000 2.310 608 A HA 0.505 4.826 4.320 0.002 0.000 0.300 608 A C 0.995 178.533 177.584 -0.076 0.000 1.269 608 A CA -0.464 51.503 52.037 -0.116 0.000 0.909 608 A CB -0.143 18.791 19.000 -0.109 0.000 1.144 608 A HN 0.979 nan 8.150 nan 0.000 0.540 609 L N 2.156 123.333 121.223 -0.077 0.000 2.286 609 L HA 0.286 4.627 4.340 0.002 0.000 0.203 609 L C -0.002 176.843 176.870 -0.042 0.000 1.068 609 L CA 0.710 55.518 54.840 -0.052 0.000 0.811 609 L CB -0.083 41.947 42.059 -0.049 0.000 0.989 609 L HN 0.544 nan 8.230 nan 0.000 0.467 610 L N -0.299 120.902 121.223 -0.037 0.000 2.408 610 L HA 0.446 4.787 4.340 0.002 0.000 0.268 610 L C -2.493 174.340 176.870 -0.062 0.000 0.986 610 L CA -1.991 52.831 54.840 -0.030 0.000 0.820 610 L CB 2.206 44.281 42.059 0.027 0.000 1.303 610 L HN -0.283 nan 8.230 nan 0.000 0.411 611 P HA -0.030 nan 4.420 nan 0.000 0.267 611 P C -0.858 176.410 177.300 -0.053 0.000 1.201 611 P CA -0.138 62.902 63.100 -0.100 0.000 0.775 611 P CB 0.476 32.101 31.700 -0.125 0.000 0.854 612 D N 1.038 121.414 120.400 -0.041 0.000 2.419 612 D HA 0.093 4.734 4.640 0.002 0.000 0.236 612 D C 1.312 177.597 176.300 -0.025 0.000 1.165 612 D CA 0.340 54.322 54.000 -0.030 0.000 0.882 612 D CB 0.528 41.313 40.800 -0.025 0.000 1.201 612 D HN 0.310 nan 8.370 nan 0.000 0.443 613 A N 2.977 125.785 122.820 -0.020 0.000 2.032 613 A HA -0.155 4.166 4.320 0.002 0.000 0.221 613 A C 2.022 179.600 177.584 -0.010 0.000 1.165 613 A CA 2.072 54.101 52.037 -0.013 0.000 0.645 613 A CB -0.853 18.140 19.000 -0.011 0.000 0.807 613 A HN 0.624 nan 8.150 nan 0.000 0.453 614 A N -1.188 121.625 122.820 -0.012 0.000 2.167 614 A HA 0.040 4.361 4.320 0.002 0.000 0.214 614 A C 1.505 179.082 177.584 -0.012 0.000 1.151 614 A CA 1.459 53.490 52.037 -0.010 0.000 0.735 614 A CB -0.323 18.671 19.000 -0.010 0.000 0.802 614 A HN 0.537 nan 8.150 nan 0.000 0.467 615 N N -1.175 117.514 118.700 -0.018 0.000 2.240 615 N HA 0.091 4.832 4.740 0.002 0.000 0.240 615 N C -0.553 174.941 175.510 -0.027 0.000 1.277 615 N CA 0.351 53.386 53.050 -0.024 0.000 0.873 615 N CB 0.591 39.058 38.487 -0.033 0.000 1.222 615 N HN 0.097 nan 8.380 nan 0.000 0.507 616 S N -0.222 115.469 115.700 -0.014 0.000 2.454 616 S HA 0.504 4.975 4.470 0.002 0.000 0.306 616 S C -1.256 173.353 174.600 0.015 0.000 1.100 616 S CA -0.684 57.516 58.200 -0.000 0.000 1.087 616 S CB 0.359 63.558 63.200 -0.002 0.000 1.019 616 S HN 0.191 nan 8.310 nan 0.000 0.480 617 N N 4.279 122.997 118.700 0.031 0.000 2.407 617 N HA 0.457 5.198 4.740 0.002 0.000 0.277 617 N C -1.210 174.343 175.510 0.071 0.000 0.995 617 N CA -0.271 52.805 53.050 0.042 0.000 0.903 617 N CB 1.412 39.920 38.487 0.034 0.000 1.218 617 N HN 0.612 nan 8.380 nan 0.000 0.487 618 I N 1.760 122.371 120.570 0.069 0.000 2.355 618 I HA 0.272 4.443 4.170 0.002 0.000 0.288 618 I C -0.209 175.962 176.117 0.091 0.000 0.999 618 I CA -0.283 61.072 61.300 0.092 0.000 1.163 618 I CB 1.494 39.539 38.000 0.076 0.000 1.316 618 I HN 0.172 nan 8.210 nan 0.000 0.454 619 T N 3.498 118.122 114.554 0.116 0.000 2.848 619 T HA 0.342 4.693 4.350 0.002 0.000 0.285 619 T C -0.145 174.633 174.700 0.130 0.000 0.995 619 T CA -0.761 61.404 62.100 0.108 0.000 0.970 619 T CB 1.620 70.551 68.868 0.106 0.000 0.976 619 T HN 0.611 nan 8.240 nan 0.000 0.441 620 S N 3.091 118.873 115.700 0.136 0.000 2.499 620 S HA 0.743 5.214 4.470 0.002 0.000 0.279 620 S C -0.390 174.353 174.600 0.239 0.000 1.219 620 S CA -0.732 57.599 58.200 0.218 0.000 1.062 620 S CB 0.077 63.404 63.200 0.210 0.000 0.978 620 S HN 0.613 nan 8.310 nan 0.000 0.489 621 I N 2.571 123.261 120.570 0.201 0.000 2.498 621 I HA 0.772 4.943 4.170 0.002 0.000 0.290 621 I C 0.595 176.549 176.117 -0.271 0.000 1.032 621 I CA -0.269 60.998 61.300 -0.056 0.000 1.073 621 I CB 1.968 39.898 38.000 -0.117 0.000 1.251 621 I HN 1.057 nan 8.210 nan 0.000 0.426 622 G N 3.060 111.330 108.800 -0.882 0.000 2.333 622 G HA2 0.536 4.497 3.960 0.002 0.000 0.288 622 G HA3 0.536 4.497 3.960 0.002 0.000 0.288 622 G C -0.541 173.285 174.900 -1.790 0.000 1.286 622 G CA 0.132 44.298 45.100 -1.556 0.000 0.865 622 G HN 1.220 nan 8.290 nan 0.000 0.506 623 G N -0.895 106.889 108.800 -1.694 0.000 2.796 623 G HA2 0.261 4.222 3.960 0.002 0.000 0.571 623 G HA3 0.261 4.222 3.960 0.002 0.000 0.571 623 G C 0.021 174.626 174.900 -0.493 0.000 1.370 623 G CA 0.398 45.052 45.100 -0.743 0.000 0.856 623 G HN 1.307 nan 8.290 nan 0.000 0.538 624 K N 0.565 120.797 120.400 -0.281 0.000 2.489 624 K HA 0.423 4.744 4.320 0.002 0.000 0.278 624 K C 1.615 178.086 176.600 -0.216 0.000 1.000 624 K CA 1.790 57.948 56.287 -0.215 0.000 1.012 624 K CB -0.106 32.320 32.500 -0.124 0.000 0.903 624 K HN 2.399 nan 8.250 nan 0.000 0.485 625 G N 3.279 111.973 108.800 -0.177 0.000 2.184 625 G HA2 -0.257 3.704 3.960 0.002 0.000 0.264 625 G HA3 -0.257 3.704 3.960 0.002 0.000 0.264 625 G C 0.454 175.284 174.900 -0.118 0.000 0.975 625 G CA 0.567 45.601 45.100 -0.110 0.000 0.642 625 G HN 0.631 nan 8.290 nan 0.000 0.536 626 K N 0.159 120.394 120.400 -0.274 0.000 2.554 626 K HA 0.118 4.439 4.320 0.002 0.000 0.211 626 K C 1.425 177.804 176.600 -0.369 0.000 1.226 626 K CA 0.675 56.764 56.287 -0.329 0.000 1.025 626 K CB 0.659 32.797 32.500 -0.604 0.000 1.021 626 K HN 0.463 nan 8.250 nan 0.000 0.600 627 D N 0.381 120.470 120.400 -0.518 0.000 2.144 627 D HA -0.157 4.484 4.640 0.002 0.000 0.199 627 D C 0.726 176.497 176.300 -0.882 0.000 0.984 627 D CA 0.974 54.495 54.000 -0.798 0.000 0.834 627 D CB -0.351 39.795 40.800 -1.090 0.000 0.955 627 D HN 0.199 nan 8.370 nan 0.000 0.465 628 F N -0.367 119.421 119.950 -0.271 0.000 2.879 628 F HA 0.217 4.745 4.527 0.002 0.000 0.354 628 F C 0.248 175.943 175.800 -0.174 0.000 1.291 628 F CA -1.439 56.168 58.000 -0.656 0.000 1.238 628 F CB 0.170 38.695 39.000 -0.791 0.000 1.005 628 F HN -0.099 nan 8.300 nan 0.000 0.508 629 W N 3.123 124.367 121.300 -0.093 0.000 2.381 629 W HA 0.375 5.036 4.660 0.002 0.000 0.321 629 W C -1.204 175.333 176.519 0.029 0.000 1.407 629 W CA 0.086 57.399 57.345 -0.053 0.000 1.274 629 W CB 1.075 30.449 29.460 -0.143 0.000 1.310 629 W HN -0.270 nan 8.180 nan 0.000 0.551 630 V N 9.252 128.983 119.914 -0.305 0.000 2.327 630 V HA 0.106 4.227 4.120 0.002 0.000 0.272 630 V C -0.257 175.636 176.094 -0.334 0.000 1.019 630 V CA -0.888 61.310 62.300 -0.171 0.000 0.814 630 V CB -0.077 31.870 31.823 0.206 0.000 1.040 630 V HN 0.472 nan 8.190 nan 0.000 0.440 631 F N 3.956 123.644 119.950 -0.436 0.000 2.594 631 F HA -0.154 4.374 4.527 0.002 0.000 0.208 631 F C 1.546 177.086 175.800 -0.433 0.000 1.032 631 F CA 1.318 59.112 58.000 -0.343 0.000 0.877 631 F CB -1.220 37.631 39.000 -0.249 0.000 0.814 631 F HN 0.839 nan 8.300 nan 0.000 0.844 632 G N -0.907 107.453 108.800 -0.732 0.000 2.307 632 G HA2 -0.178 3.783 3.960 0.002 0.000 0.210 632 G HA3 -0.178 3.783 3.960 0.002 0.000 0.210 632 G C 0.097 174.413 174.900 -0.974 0.000 1.005 632 G CA -0.092 44.664 45.100 -0.573 0.000 0.634 632 G HN 0.620 nan 8.290 nan 0.000 0.496 633 T N 0.862 114.778 114.554 -1.063 0.000 2.812 633 T HA 0.557 4.908 4.350 0.002 0.000 0.282 633 T C -0.673 173.542 174.700 -0.808 0.000 0.990 633 T CA -0.412 61.202 62.100 -0.810 0.000 0.960 633 T CB 1.725 70.221 68.868 -0.621 0.000 0.948 633 T HN 0.351 nan 8.240 nan 0.000 0.438 634 N N 1.762 120.190 118.700 -0.454 0.000 2.414 634 N HA 0.243 4.984 4.740 0.002 0.000 0.256 634 N C -1.236 174.145 175.510 -0.215 0.000 1.029 634 N CA -0.385 52.600 53.050 -0.107 0.000 0.948 634 N CB 0.267 38.857 38.487 0.171 0.000 1.102 634 N HN 0.517 nan 8.380 nan 0.000 0.496 635 Y N 2.466 122.815 120.300 0.081 0.000 2.632 635 Y HA 0.146 4.697 4.550 0.002 0.000 0.336 635 Y C 0.687 176.730 175.900 0.240 0.000 1.237 635 Y CA -0.499 57.673 58.100 0.120 0.000 1.595 635 Y CB -0.273 38.239 38.460 0.088 0.000 1.508 635 Y HN 0.358 nan 8.280 nan 0.000 0.480 636 T N 2.024 116.720 114.554 0.236 0.000 2.934 636 T HA -0.048 4.303 4.350 0.002 0.000 0.306 636 T C 0.388 175.165 174.700 0.128 0.000 1.042 636 T CA 0.186 62.421 62.100 0.224 0.000 1.145 636 T CB 0.053 68.976 68.868 0.091 0.000 0.982 636 T HN 0.496 nan 8.240 nan 0.000 0.544 637 N N 2.152 120.913 118.700 0.103 0.000 2.785 637 N HA 0.119 4.860 4.740 0.002 0.000 0.224 637 N C -1.578 173.918 175.510 -0.024 0.000 1.448 637 N CA -0.427 52.501 53.050 -0.202 0.000 0.748 637 N CB 0.525 38.377 38.487 -1.059 0.000 1.385 637 N HN 0.410 nan 8.380 nan 0.000 0.538 638 D N 1.125 121.536 120.400 0.019 0.000 2.362 638 D HA 0.218 4.859 4.640 0.002 0.000 0.242 638 D C -2.141 174.162 176.300 0.004 0.000 1.132 638 D CA -0.852 53.167 54.000 0.031 0.000 0.907 638 D CB 0.675 41.485 40.800 0.017 0.000 1.195 638 D HN 0.307 nan 8.370 nan 0.000 0.429 639 P HA 0.080 nan 4.420 nan 0.000 0.272 639 P C -0.570 176.737 177.300 0.011 0.000 1.223 639 P CA -0.339 62.776 63.100 0.025 0.000 0.784 639 P CB 0.537 32.270 31.700 0.054 0.000 0.923 640 K N 3.120 123.523 120.400 0.006 0.000 2.382 640 K HA 0.198 4.519 4.320 0.002 0.000 0.275 640 K C -2.159 174.450 176.600 0.016 0.000 1.009 640 K CA -1.187 55.103 56.287 0.006 0.000 0.970 640 K CB -1.296 31.207 32.500 0.004 0.000 0.934 640 K HN 0.348 nan 8.250 nan 0.000 0.479 641 P HA -0.081 nan 4.420 nan 0.000 0.260 641 P C 0.612 177.924 177.300 0.020 0.000 1.172 641 P CA 1.191 64.300 63.100 0.015 0.000 0.760 641 P CB 0.410 32.117 31.700 0.011 0.000 0.773 642 G N 1.678 110.493 108.800 0.024 0.000 2.179 642 G HA2 -0.223 3.738 3.960 0.002 0.000 0.260 642 G HA3 -0.223 3.738 3.960 0.002 0.000 0.260 642 G C 0.344 175.266 174.900 0.037 0.000 0.977 642 G CA 0.430 45.547 45.100 0.028 0.000 0.641 642 G HN 0.818 nan 8.290 nan 0.000 0.533 643 T N -2.588 111.992 114.554 0.043 0.000 2.944 643 T HA 0.528 4.879 4.350 0.002 0.000 0.284 643 T C 0.162 174.912 174.700 0.082 0.000 1.010 643 T CA 0.626 62.761 62.100 0.059 0.000 1.025 643 T CB 1.879 70.778 68.868 0.052 0.000 1.079 643 T HN 0.989 nan 8.240 nan 0.000 0.516 644 D N 0.893 121.365 120.400 0.121 0.000 2.740 644 D HA -0.179 4.462 4.640 0.002 0.000 0.231 644 D C 1.114 177.476 176.300 0.103 0.000 1.194 644 D CA 1.099 55.198 54.000 0.164 0.000 0.673 644 D CB -0.799 40.139 40.800 0.230 0.000 0.995 644 D HN 0.891 nan 8.370 nan 0.000 0.411 645 E N -0.373 119.876 120.200 0.082 0.000 2.347 645 E HA -0.084 4.267 4.350 0.002 0.000 0.196 645 E C 1.567 178.197 176.600 0.050 0.000 1.008 645 E CA 0.887 57.322 56.400 0.058 0.000 0.852 645 E CB 0.025 29.754 29.700 0.049 0.000 0.783 645 E HN 0.411 nan 8.360 nan 0.000 0.505 646 A N 0.949 123.801 122.820 0.054 0.000 2.308 646 A HA 0.226 4.547 4.320 0.002 0.000 0.217 646 A C 1.109 178.706 177.584 0.022 0.000 1.216 646 A CA -0.174 51.886 52.037 0.037 0.000 0.864 646 A CB -0.059 18.965 19.000 0.040 0.000 0.902 646 A HN 0.264 nan 8.150 nan 0.000 0.499 647 L N -0.067 121.174 121.223 0.030 0.000 3.677 647 L HA -0.224 4.117 4.340 0.002 0.000 0.464 647 L C 0.877 177.726 176.870 -0.035 0.000 1.278 647 L CA 1.087 55.943 54.840 0.027 0.000 0.806 647 L CB -1.732 40.351 42.059 0.040 0.000 1.610 647 L HN 0.623 nan 8.230 nan 0.000 0.867 648 E N -0.181 119.906 120.200 -0.188 0.000 2.418 648 E HA -0.163 4.188 4.350 0.002 0.000 0.197 648 E C 1.788 178.121 176.600 -0.445 0.000 1.026 648 E CA 0.750 56.900 56.400 -0.417 0.000 0.862 648 E CB -0.038 29.227 29.700 -0.724 0.000 0.799 648 E HN 0.787 nan 8.360 nan 0.000 0.518 649 R N 1.406 121.803 120.500 -0.172 0.000 2.193 649 R HA -0.042 4.299 4.340 0.002 0.000 0.229 649 R C 0.837 177.335 176.300 0.331 0.000 1.110 649 R CA 1.079 57.324 56.100 0.243 0.000 0.988 649 R CB -0.490 30.046 30.300 0.395 0.000 0.871 649 R HN 0.034 nan 8.270 nan 0.000 0.458 650 G N 0.388 109.283 108.800 0.159 0.000 2.730 650 G HA2 -0.219 3.742 3.960 0.002 0.000 0.686 650 G HA3 -0.219 3.742 3.960 0.002 0.000 0.686 650 G C -0.365 174.540 174.900 0.009 0.000 1.343 650 G CA -0.016 45.173 45.100 0.148 0.000 0.826 650 G HN 0.302 nan 8.290 nan 0.000 0.582 651 E N -0.954 119.257 120.200 0.018 0.000 2.568 651 E HA 0.204 4.555 4.350 0.002 0.000 0.220 651 E C -0.251 176.119 176.600 -0.383 0.000 0.869 651 E CA -0.051 56.217 56.400 -0.220 0.000 1.268 651 E CB 0.853 30.486 29.700 -0.113 0.000 1.252 651 E HN 0.466 nan 8.360 nan 0.000 0.606 652 W N 1.325 122.617 121.300 -0.014 0.000 3.033 652 W HA 0.410 5.071 4.660 0.001 0.000 0.336 652 W C -0.353 176.177 176.519 0.019 0.000 1.173 652 W CA -0.740 56.599 57.345 -0.010 0.000 1.185 652 W CB 1.395 30.848 29.460 -0.012 0.000 1.425 652 W HN -0.183 nan 8.180 nan 0.000 0.536 653 R N -0.010 120.626 120.500 0.227 0.000 2.739 653 R HA 0.883 5.224 4.340 0.002 0.000 0.271 653 R C -2.176 174.183 176.300 0.098 0.000 1.010 653 R CA -0.937 55.175 56.100 0.019 0.000 0.897 653 R CB 1.515 31.607 30.300 -0.347 0.000 1.236 653 R HN 0.245 nan 8.270 nan 0.000 0.466 654 V N 1.378 121.331 119.914 0.065 0.000 2.513 654 V HA 0.364 4.485 4.120 0.002 0.000 0.299 654 V C -0.436 175.754 176.094 0.160 0.000 1.035 654 V CA -0.682 61.705 62.300 0.145 0.000 0.889 654 V CB 1.673 33.617 31.823 0.203 0.000 0.988 654 V HN 0.750 nan 8.190 nan 0.000 0.440 655 E N 4.749 125.072 120.200 0.204 0.000 2.145 655 E HA 0.533 4.884 4.350 0.002 0.000 0.270 655 E C -1.122 175.653 176.600 0.292 0.000 0.906 655 E CA -0.434 56.137 56.400 0.284 0.000 0.761 655 E CB 2.311 32.224 29.700 0.354 0.000 1.116 655 E HN 0.534 nan 8.360 nan 0.000 0.408 656 I N 2.469 123.258 120.570 0.364 0.000 2.321 656 I HA 0.228 4.399 4.170 0.002 0.000 0.291 656 I C 0.125 176.441 176.117 0.332 0.000 0.998 656 I CA -0.237 61.249 61.300 0.310 0.000 1.227 656 I CB 1.702 39.870 38.000 0.280 0.000 1.368 656 I HN 0.349 nan 8.210 nan 0.000 0.466 657 T N 7.020 121.687 114.554 0.189 0.000 2.893 657 T HA 0.500 4.851 4.350 0.002 0.000 0.293 657 T C -2.701 172.016 174.700 0.028 0.000 1.027 657 T CA -1.989 60.152 62.100 0.068 0.000 0.988 657 T CB 1.906 70.663 68.868 -0.184 0.000 1.043 657 T HN 0.156 nan 8.240 nan 0.000 0.461 658 P HA 0.265 nan 4.420 nan 0.000 0.269 658 P C 0.361 177.633 177.300 -0.047 0.000 1.209 658 P CA -0.226 62.831 63.100 -0.072 0.000 0.776 658 P CB 0.611 32.241 31.700 -0.117 0.000 0.876 659 K N 1.443 121.822 120.400 -0.034 0.000 2.031 659 K HA -0.033 4.288 4.320 0.002 0.000 0.205 659 K C 0.441 177.029 176.600 -0.021 0.000 1.049 659 K CA 1.238 57.513 56.287 -0.020 0.000 0.939 659 K CB -0.037 32.455 32.500 -0.013 0.000 0.717 659 K HN 0.432 nan 8.250 nan 0.000 0.438 660 K N 1.093 121.476 120.400 -0.028 0.000 2.174 660 K HA 0.271 4.592 4.320 0.002 0.000 0.275 660 K C -0.668 175.915 176.600 -0.029 0.000 1.015 660 K CA -0.483 55.789 56.287 -0.024 0.000 0.933 660 K CB 1.569 34.054 32.500 -0.025 0.000 1.025 660 K HN 0.061 nan 8.250 nan 0.000 0.463 661 A N 1.938 124.745 122.820 -0.020 0.000 2.451 661 A HA 0.500 4.821 4.320 0.002 0.000 0.266 661 A C -0.417 177.147 177.584 -0.033 0.000 1.119 661 A CA -0.087 51.937 52.037 -0.021 0.000 0.786 661 A CB 0.066 19.058 19.000 -0.014 0.000 1.061 661 A HN 0.725 nan 8.150 nan 0.000 0.503 662 A N 1.590 124.385 122.820 -0.041 0.000 2.574 662 A HA 0.710 5.031 4.320 0.002 0.000 0.297 662 A C 0.739 178.287 177.584 -0.060 0.000 1.062 662 A CA 0.045 52.052 52.037 -0.050 0.000 0.686 662 A CB 0.576 19.546 19.000 -0.050 0.000 1.285 662 A HN 1.949 nan 8.150 nan 0.000 0.403 663 A N 0.544 123.325 122.820 -0.066 0.000 1.902 663 A HA 0.099 4.420 4.320 0.002 0.000 0.217 663 A C 0.882 178.414 177.584 -0.087 0.000 1.181 663 A CA 1.863 53.856 52.037 -0.073 0.000 0.623 663 A CB -0.243 18.714 19.000 -0.071 0.000 0.818 663 A HN 0.809 nan 8.150 nan 0.000 0.443 664 E N 0.394 120.535 120.200 -0.100 0.000 2.158 664 E HA 0.396 4.746 4.350 0.002 0.000 0.271 664 E C -1.648 174.829 176.600 -0.205 0.000 0.911 664 E CA -0.609 55.690 56.400 -0.168 0.000 0.767 664 E CB 0.753 30.380 29.700 -0.123 0.000 1.120 664 E HN 0.369 nan 8.360 nan 0.000 0.405 665 D N 2.746 122.937 120.400 -0.347 0.000 2.756 665 D HA 0.247 4.888 4.640 0.002 0.000 0.226 665 D C -1.380 174.567 176.300 -0.587 0.000 1.186 665 D CA -0.377 53.408 54.000 -0.358 0.000 0.845 665 D CB 1.391 41.997 40.800 -0.323 0.000 1.610 665 D HN 0.373 nan 8.370 nan 0.000 0.465 666 Y N 0.450 120.583 120.300 -0.278 0.000 2.393 666 Y HA 0.399 4.950 4.550 0.002 0.000 0.341 666 Y C -0.521 175.175 175.900 -0.341 0.000 0.988 666 Y CA -0.763 57.175 58.100 -0.270 0.000 1.078 666 Y CB 1.533 39.925 38.460 -0.112 0.000 1.203 666 Y HN 0.234 nan 8.280 nan 0.000 0.453 667 Y N 3.148 123.431 120.300 -0.029 0.000 2.352 667 Y HA 0.584 5.135 4.550 0.002 0.000 0.339 667 Y C -0.889 174.990 175.900 -0.036 0.000 0.992 667 Y CA -0.961 57.089 58.100 -0.083 0.000 1.100 667 Y CB 1.764 40.156 38.460 -0.114 0.000 1.192 667 Y HN 0.435 nan 8.280 nan 0.000 0.458 668 L N 5.254 126.535 121.223 0.097 0.000 2.404 668 L HA 0.544 4.885 4.340 0.002 0.000 0.272 668 L C -1.595 175.227 176.870 -0.081 0.000 0.980 668 L CA -0.449 54.436 54.840 0.074 0.000 0.836 668 L CB 0.996 43.116 42.059 0.102 0.000 1.238 668 L HN 0.619 nan 8.230 nan 0.000 0.408 669 N N 3.870 122.506 118.700 -0.106 0.000 2.249 669 N HA 0.613 5.354 4.740 0.002 0.000 0.296 669 N C -1.584 173.903 175.510 -0.038 0.000 1.051 669 N CA -0.399 52.551 53.050 -0.166 0.000 0.815 669 N CB 3.041 41.283 38.487 -0.409 0.000 1.487 669 N HN 0.283 nan 8.380 nan 0.000 0.475 670 V N 3.095 122.993 119.914 -0.026 0.000 2.349 670 V HA 0.456 4.577 4.120 0.002 0.000 0.284 670 V C 0.155 176.264 176.094 0.026 0.000 1.014 670 V CA -0.605 61.699 62.300 0.006 0.000 0.826 670 V CB 1.176 32.996 31.823 -0.006 0.000 1.009 670 V HN 0.538 nan 8.190 nan 0.000 0.431 671 I N 4.593 125.190 120.570 0.045 0.000 2.331 671 I HA 0.383 4.554 4.170 0.002 0.000 0.292 671 I C 0.251 176.393 176.117 0.041 0.000 0.998 671 I CA -0.085 61.258 61.300 0.072 0.000 1.267 671 I CB 1.310 39.375 38.000 0.109 0.000 1.386 671 I HN 0.594 nan 8.210 nan 0.000 0.476 672 Q N 5.942 125.765 119.800 0.038 0.000 2.266 672 Q HA 0.602 4.943 4.340 0.002 0.000 0.261 672 Q C -1.041 174.960 176.000 0.001 0.000 0.985 672 Q CA -0.823 54.987 55.803 0.012 0.000 0.873 672 Q CB 2.896 31.646 28.738 0.020 0.000 1.306 672 Q HN 0.440 nan 8.270 nan 0.000 0.447 673 I N 1.480 122.018 120.570 -0.054 0.000 2.436 673 I HA 0.755 4.926 4.170 0.002 0.000 0.289 673 I C -0.442 175.534 176.117 -0.235 0.000 1.010 673 I CA -0.392 60.840 61.300 -0.113 0.000 1.098 673 I CB 1.095 39.014 38.000 -0.136 0.000 1.266 673 I HN 0.731 nan 8.210 nan 0.000 0.434 674 A N 4.750 127.468 122.820 -0.171 0.000 2.581 674 A HA 0.656 4.977 4.320 0.002 0.000 0.290 674 A C -1.436 176.234 177.584 0.144 0.000 1.119 674 A CA -0.799 51.166 52.037 -0.120 0.000 0.670 674 A CB 0.937 19.901 19.000 -0.059 0.000 1.280 674 A HN 0.629 nan 8.150 nan 0.000 0.425 675 D N 0.847 121.383 120.400 0.228 0.000 2.399 675 D HA 0.264 4.905 4.640 0.002 0.000 0.241 675 D C 0.997 177.356 176.300 0.099 0.000 1.133 675 D CA 0.325 54.456 54.000 0.218 0.000 0.890 675 D CB 0.528 41.421 40.800 0.154 0.000 1.201 675 D HN 0.597 nan 8.370 nan 0.000 0.432 676 N N -0.277 118.465 118.700 0.070 0.000 2.573 676 N HA -0.168 4.573 4.740 0.002 0.000 0.187 676 N C 1.004 176.526 175.510 0.019 0.000 1.107 676 N CA 0.890 53.961 53.050 0.034 0.000 0.918 676 N CB -0.553 37.945 38.487 0.019 0.000 0.966 676 N HN 0.479 nan 8.380 nan 0.000 0.448 677 T N -4.946 109.622 114.554 0.024 0.000 3.081 677 T HA 0.010 4.361 4.350 0.002 0.000 0.255 677 T C 0.706 175.410 174.700 0.008 0.000 1.113 677 T CA -0.149 61.959 62.100 0.013 0.000 1.082 677 T CB -0.160 68.717 68.868 0.015 0.000 0.939 677 T HN 0.125 nan 8.240 nan 0.000 0.506 678 Q N 1.540 121.346 119.800 0.010 0.000 2.281 678 Q HA 0.167 4.508 4.340 0.002 0.000 0.267 678 Q C 1.157 177.146 176.000 -0.018 0.000 1.053 678 Q CA 0.034 55.833 55.803 -0.007 0.000 0.905 678 Q CB 0.776 29.506 28.738 -0.013 0.000 1.195 678 Q HN 0.236 nan 8.270 nan 0.000 0.398 679 Q N 2.905 122.691 119.800 -0.023 0.000 2.259 679 Q HA 0.079 4.420 4.340 0.002 0.000 0.201 679 Q C -0.304 175.673 176.000 -0.038 0.000 0.938 679 Q CA 0.840 56.628 55.803 -0.025 0.000 0.872 679 Q CB 0.509 29.236 28.738 -0.019 0.000 0.971 679 Q HN 0.507 nan 8.270 nan 0.000 0.494 680 K N 1.604 121.972 120.400 -0.054 0.000 2.300 680 K HA 0.374 4.695 4.320 0.002 0.000 0.264 680 K C -0.335 176.183 176.600 -0.137 0.000 1.083 680 K CA -0.093 56.147 56.287 -0.079 0.000 0.958 680 K CB 0.852 33.307 32.500 -0.074 0.000 1.318 680 K HN 0.018 nan 8.250 nan 0.000 0.448 681 L N 1.929 123.077 121.223 -0.124 0.000 2.400 681 L HA 0.371 4.712 4.340 0.002 0.000 0.264 681 L C 0.426 177.191 176.870 -0.175 0.000 1.061 681 L CA -1.049 53.687 54.840 -0.175 0.000 0.799 681 L CB 0.635 42.647 42.059 -0.078 0.000 1.240 681 L HN 0.543 nan 8.230 nan 0.000 0.461 682 H N -0.264 118.794 119.070 -0.020 0.000 2.652 682 H HA 0.074 4.631 4.556 0.002 0.000 0.349 682 H C -0.210 175.110 175.328 -0.014 0.000 1.099 682 H CA -0.149 55.889 56.048 -0.017 0.000 1.417 682 H CB 0.709 30.457 29.762 -0.023 0.000 1.457 682 H HN 0.416 nan 8.280 nan 0.000 0.568 683 E N 2.270 122.546 120.200 0.127 0.000 2.360 683 E HA 0.126 4.477 4.350 0.002 0.000 0.269 683 E C -0.947 175.683 176.600 0.049 0.000 1.022 683 E CA -0.443 55.996 56.400 0.064 0.000 0.887 683 E CB 0.650 30.378 29.700 0.048 0.000 0.990 683 E HN 0.271 nan 8.360 nan 0.000 0.426 684 V N 5.879 125.805 119.914 0.020 0.000 2.370 684 V HA 0.264 4.385 4.120 0.002 0.000 0.283 684 V C -0.187 175.893 176.094 -0.024 0.000 1.023 684 V CA -0.601 61.695 62.300 -0.007 0.000 0.857 684 V CB 1.335 33.153 31.823 -0.009 0.000 0.985 684 V HN 0.583 nan 8.190 nan 0.000 0.443 685 K N 4.473 124.846 120.400 -0.046 0.000 2.244 685 K HA 0.537 4.858 4.320 0.002 0.000 0.260 685 K C -0.323 176.227 176.600 -0.084 0.000 0.951 685 K CA -0.818 55.435 56.287 -0.057 0.000 0.826 685 K CB 2.464 34.928 32.500 -0.060 0.000 1.108 685 K HN 0.527 nan 8.250 nan 0.000 0.433 686 R N 3.242 123.698 120.500 -0.074 0.000 2.438 686 R HA 0.244 4.585 4.340 0.002 0.000 0.287 686 R C -0.533 175.703 176.300 -0.107 0.000 1.077 686 R CA -0.233 55.812 56.100 -0.093 0.000 1.034 686 R CB 0.433 30.689 30.300 -0.073 0.000 0.993 686 R HN 0.576 nan 8.270 nan 0.000 0.459 687 I N 4.378 124.854 120.570 -0.157 0.000 2.312 687 I HA 0.135 4.306 4.170 0.002 0.000 0.290 687 I C -0.581 175.453 176.117 -0.139 0.000 1.008 687 I CA -0.380 60.821 61.300 -0.165 0.000 1.226 687 I CB 1.539 39.352 38.000 -0.311 0.000 1.371 687 I HN 0.450 nan 8.210 nan 0.000 0.468 688 D N 6.727 127.091 120.400 -0.060 0.000 2.454 688 D HA 0.389 5.030 4.640 0.002 0.000 0.225 688 D C 0.230 176.549 176.300 0.031 0.000 1.081 688 D CA 0.036 54.014 54.000 -0.035 0.000 0.864 688 D CB 2.012 42.798 40.800 -0.023 0.000 1.040 688 D HN 0.667 nan 8.370 nan 0.000 0.517 689 G N 0.560 109.387 108.800 0.045 0.000 2.938 689 G HA2 0.248 4.209 3.960 0.002 0.000 0.258 689 G HA3 0.248 4.209 3.960 0.002 0.000 0.258 689 G C -0.716 174.276 174.900 0.154 0.000 1.356 689 G CA -0.506 44.697 45.100 0.173 0.000 1.052 689 G HN 0.196 nan 8.290 nan 0.000 0.550 690 D N -0.322 120.220 120.400 0.237 0.000 2.336 690 D HA 0.253 4.894 4.640 0.002 0.000 0.249 690 D C 0.688 177.127 176.300 0.232 0.000 1.213 690 D CA 0.008 54.134 54.000 0.211 0.000 0.870 690 D CB 0.367 41.307 40.800 0.233 0.000 1.076 690 D HN 0.479 nan 8.370 nan 0.000 0.483 691 K N 0.326 120.795 120.400 0.116 0.000 3.529 691 K HA -0.206 4.115 4.320 0.002 0.000 0.313 691 K C 0.045 176.598 176.600 -0.078 0.000 1.316 691 K CA 1.329 57.640 56.287 0.040 0.000 0.988 691 K CB -1.695 30.856 32.500 0.086 0.000 1.252 691 K HN 0.382 nan 8.250 nan 0.000 0.438 692 V N -3.016 116.862 119.914 -0.059 0.000 2.914 692 V HA 0.849 4.970 4.120 0.002 0.000 0.314 692 V C -0.331 175.651 176.094 -0.187 0.000 1.084 692 V CA -0.911 61.276 62.300 -0.188 0.000 0.963 692 V CB 2.265 33.935 31.823 -0.254 0.000 1.025 692 V HN -0.088 nan 8.190 nan 0.000 0.432 693 V N 2.337 122.081 119.914 -0.285 0.000 2.656 693 V HA 1.011 5.132 4.120 0.002 0.000 0.307 693 V C 0.326 176.219 176.094 -0.334 0.000 1.051 693 V CA 0.754 62.877 62.300 -0.294 0.000 0.893 693 V CB 1.489 33.125 31.823 -0.312 0.000 0.999 693 V HN 1.569 nan 8.190 nan 0.000 0.426 694 G N 4.024 112.636 108.800 -0.313 0.000 2.766 694 G HA2 0.709 4.670 3.960 0.002 0.000 0.288 694 G HA3 0.709 4.670 3.960 0.002 0.000 0.288 694 G C -1.864 172.888 174.900 -0.246 0.000 1.408 694 G CA -0.587 44.307 45.100 -0.343 0.000 0.852 694 G HN 0.850 nan 8.290 nan 0.000 0.487 695 V N -0.025 119.736 119.914 -0.255 0.000 2.709 695 V HA 0.615 4.736 4.120 0.002 0.000 0.308 695 V C -0.589 175.360 176.094 -0.241 0.000 1.062 695 V CA -0.645 61.546 62.300 -0.182 0.000 0.901 695 V CB 1.745 33.516 31.823 -0.088 0.000 1.003 695 V HN 0.819 nan 8.190 nan 0.000 0.425 696 Q N 4.819 124.500 119.800 -0.198 0.000 2.310 696 Q HA 0.840 5.181 4.340 0.002 0.000 0.270 696 Q C -1.628 174.299 176.000 -0.121 0.000 1.025 696 Q CA -0.618 55.064 55.803 -0.202 0.000 0.772 696 Q CB 2.166 30.760 28.738 -0.239 0.000 1.253 696 Q HN 0.831 nan 8.270 nan 0.000 0.450 697 L N 1.517 122.669 121.223 -0.118 0.000 2.518 697 L HA 0.963 5.304 4.340 0.002 0.000 0.257 697 L C -0.065 176.677 176.870 -0.212 0.000 0.980 697 L CA -0.244 54.528 54.840 -0.114 0.000 0.837 697 L CB 1.413 43.416 42.059 -0.095 0.000 1.410 697 L HN 0.826 nan 8.230 nan 0.000 0.410 698 A N 2.405 124.995 122.820 -0.383 0.000 5.395 698 A HA -0.321 4.000 4.320 0.002 0.000 0.324 698 A C 0.723 178.197 177.584 -0.183 0.000 1.813 698 A CA 1.691 53.413 52.037 -0.525 0.000 0.714 698 A CB -2.011 16.475 19.000 -0.856 0.000 1.374 698 A HN 1.490 nan 8.150 nan 0.000 0.390 699 D N 0.192 120.466 120.400 -0.208 0.000 2.491 699 D HA 0.278 4.919 4.640 0.002 0.000 0.228 699 D C 0.163 176.439 176.300 -0.039 0.000 1.183 699 D CA -0.113 53.758 54.000 -0.214 0.000 0.827 699 D CB -0.054 40.579 40.800 -0.277 0.000 0.989 699 D HN 0.455 nan 8.370 nan 0.000 0.494 700 R N 0.553 121.032 120.500 -0.036 0.000 2.494 700 R HA 0.577 4.918 4.340 0.002 0.000 0.305 700 R C -0.419 175.742 176.300 -0.232 0.000 0.959 700 R CA -0.719 55.305 56.100 -0.127 0.000 0.864 700 R CB 1.846 32.060 30.300 -0.143 0.000 1.159 700 R HN 0.099 nan 8.270 nan 0.000 0.446 701 I N 2.055 122.367 120.570 -0.430 0.000 2.465 701 I HA 0.426 4.597 4.170 0.002 0.000 0.291 701 I C -0.569 175.231 176.117 -0.528 0.000 1.014 701 I CA -0.990 59.962 61.300 -0.581 0.000 1.093 701 I CB 2.321 39.733 38.000 -0.979 0.000 1.267 701 I HN 0.092 nan 8.210 nan 0.000 0.431 702 V N 4.150 123.761 119.914 -0.506 0.000 2.623 702 V HA 0.575 4.696 4.120 0.002 0.000 0.304 702 V C -0.193 175.464 176.094 -0.729 0.000 1.054 702 V CA -0.528 61.415 62.300 -0.596 0.000 0.882 702 V CB 2.153 33.678 31.823 -0.496 0.000 1.002 702 V HN 0.845 nan 8.190 nan 0.000 0.424 703 T N 1.178 115.207 114.554 -0.876 0.000 2.908 703 T HA 0.875 5.226 4.350 0.002 0.000 0.290 703 T C -1.011 173.041 174.700 -1.080 0.000 1.034 703 T CA -0.544 61.043 62.100 -0.855 0.000 1.010 703 T CB 1.910 70.356 68.868 -0.703 0.000 1.068 703 T HN 0.196 nan 8.240 nan 0.000 0.481 704 F N 0.157 119.788 119.950 -0.532 0.000 2.593 704 F HA 0.652 5.180 4.527 0.001 0.000 0.320 704 F C 0.840 176.371 175.800 -0.449 0.000 1.060 704 F CA -1.224 56.489 58.000 -0.479 0.000 0.940 704 F CB 2.053 40.617 39.000 -0.727 0.000 1.268 704 F HN 0.694 nan 8.300 nan 0.000 0.475 705 S N 1.143 116.796 115.700 -0.079 0.000 2.525 705 S HA 0.025 4.496 4.470 0.002 0.000 0.285 705 S C 1.246 175.825 174.600 -0.035 0.000 1.283 705 S CA -0.374 57.769 58.200 -0.096 0.000 1.072 705 S CB 0.509 63.708 63.200 -0.001 0.000 0.867 705 S HN 0.775 nan 8.310 nan 0.000 0.492 706 K N 3.021 123.348 120.400 -0.122 0.000 2.286 706 K HA -0.109 4.212 4.320 0.002 0.000 0.203 706 K C 1.691 178.183 176.600 -0.179 0.000 1.045 706 K CA 1.766 57.952 56.287 -0.168 0.000 0.935 706 K CB -0.221 32.187 32.500 -0.153 0.000 0.737 706 K HN 0.677 nan 8.250 nan 0.000 0.460 707 T N -1.625 112.934 114.554 0.008 0.000 3.040 707 T HA 0.038 4.389 4.350 0.002 0.000 0.250 707 T C 0.489 175.368 174.700 0.298 0.000 1.058 707 T CA 0.717 62.906 62.100 0.148 0.000 0.988 707 T CB -0.084 68.855 68.868 0.119 0.000 0.993 707 T HN 0.311 nan 8.240 nan 0.000 0.519 708 S N 0.834 116.735 115.700 0.334 0.000 3.445 708 S HA -0.121 4.350 4.470 0.002 0.000 0.319 708 S C -0.272 174.452 174.600 0.206 0.000 1.209 708 S CA 0.906 59.313 58.200 0.346 0.000 0.934 708 S CB -0.873 62.500 63.200 0.288 0.000 0.999 708 S HN 0.734 nan 8.310 nan 0.000 0.582 709 E N 0.998 121.291 120.200 0.155 0.000 2.221 709 E HA 0.359 4.710 4.350 0.002 0.000 0.268 709 E C 0.147 176.803 176.600 0.094 0.000 0.933 709 E CA -0.558 55.910 56.400 0.115 0.000 0.809 709 E CB 0.887 30.645 29.700 0.098 0.000 1.190 709 E HN 0.241 nan 8.360 nan 0.000 0.406 710 T N 0.986 115.597 114.554 0.095 0.000 2.849 710 T HA 0.053 4.404 4.350 0.002 0.000 0.289 710 T C 0.377 175.133 174.700 0.093 0.000 1.010 710 T CA 0.037 62.196 62.100 0.097 0.000 1.161 710 T CB -0.039 68.894 68.868 0.108 0.000 0.989 710 T HN 0.123 nan 8.240 nan 0.000 0.523 711 V N 4.820 124.786 119.914 0.086 0.000 2.432 711 V HA 0.235 4.356 4.120 0.002 0.000 0.271 711 V C 0.796 177.067 176.094 0.295 0.000 1.046 711 V CA -0.396 61.976 62.300 0.119 0.000 0.945 711 V CB 1.184 32.970 31.823 -0.061 0.000 0.992 711 V HN 1.034 nan 8.190 nan 0.000 0.471 712 D N 3.080 123.624 120.400 0.239 0.000 2.540 712 D HA 0.161 4.802 4.640 0.002 0.000 0.229 712 D C 0.469 176.836 176.300 0.113 0.000 1.250 712 D CA -0.285 53.820 54.000 0.175 0.000 0.817 712 D CB 0.563 41.421 40.800 0.097 0.000 1.060 712 D HN 0.344 nan 8.370 nan 0.000 0.508 713 R N 0.172 120.809 120.500 0.227 0.000 2.836 713 R HA 0.519 4.860 4.340 0.002 0.000 0.269 713 R C -2.880 173.640 176.300 0.367 0.000 1.010 713 R CA -1.887 54.326 56.100 0.188 0.000 0.930 713 R CB 0.638 31.025 30.300 0.145 0.000 1.218 713 R HN -0.091 nan 8.270 nan 0.000 0.473 714 P HA 0.034 nan 4.420 nan 0.000 0.266 714 P C -0.899 176.666 177.300 0.441 0.000 1.193 714 P CA 0.399 63.699 63.100 0.333 0.000 0.770 714 P CB 0.240 32.035 31.700 0.159 0.000 0.836 715 F N -0.437 119.706 119.950 0.321 0.000 2.745 715 F HA 0.898 5.426 4.527 0.002 0.000 0.316 715 F C -0.355 175.658 175.800 0.356 0.000 1.155 715 F CA -0.701 57.459 58.000 0.267 0.000 0.937 715 F CB 1.081 40.205 39.000 0.207 0.000 1.361 715 F HN 0.565 nan 8.300 nan 0.000 0.472 716 G N -0.003 109.050 108.800 0.422 0.000 2.441 716 G HA2 0.647 4.608 3.960 0.002 0.000 0.294 716 G HA3 0.647 4.608 3.960 0.002 0.000 0.294 716 G C -2.132 173.040 174.900 0.453 0.000 1.393 716 G CA -0.293 44.985 45.100 0.297 0.000 0.796 716 G HN 1.585 nan 8.290 nan 0.000 0.494 717 F N -2.191 117.927 119.950 0.279 0.000 2.807 717 F HA 0.828 5.356 4.527 0.002 0.000 0.316 717 F C -0.620 175.306 175.800 0.209 0.000 1.162 717 F CA -1.276 56.843 58.000 0.199 0.000 0.910 717 F CB 1.014 40.114 39.000 0.165 0.000 1.314 717 F HN 0.541 nan 8.300 nan 0.000 0.454 718 S N 0.663 116.573 115.700 0.349 0.000 2.549 718 S HA 0.823 5.294 4.470 0.002 0.000 0.297 718 S C -1.117 173.662 174.600 0.298 0.000 1.115 718 S CA -0.712 57.631 58.200 0.238 0.000 1.059 718 S CB 1.932 65.209 63.200 0.128 0.000 1.046 718 S HN 0.567 nan 8.310 nan 0.000 0.506 719 V N 3.150 123.206 119.914 0.237 0.000 2.444 719 V HA 0.492 4.613 4.120 0.002 0.000 0.294 719 V C -0.729 175.380 176.094 0.024 0.000 1.022 719 V CA -0.613 61.741 62.300 0.089 0.000 0.850 719 V CB 1.723 33.592 31.823 0.077 0.000 0.992 719 V HN 0.659 nan 8.190 nan 0.000 0.426 720 V N 3.779 123.670 119.914 -0.038 0.000 2.448 720 V HA 1.025 5.146 4.120 0.002 0.000 0.295 720 V C 0.468 176.571 176.094 0.015 0.000 1.025 720 V CA 0.208 62.513 62.300 0.008 0.000 0.859 720 V CB 1.210 33.046 31.823 0.022 0.000 0.988 720 V HN 1.205 nan 8.190 nan 0.000 0.431 721 G N 4.097 112.976 108.800 0.133 0.000 2.347 721 G HA2 0.243 4.204 3.960 0.002 0.000 0.303 721 G HA3 0.243 4.204 3.960 0.002 0.000 0.303 721 G C -1.597 173.534 174.900 0.385 0.000 1.481 721 G CA -1.044 44.232 45.100 0.293 0.000 0.914 721 G HN 0.533 nan 8.290 nan 0.000 0.638 722 K N -0.041 120.518 120.400 0.265 0.000 2.098 722 K HA 0.698 5.019 4.320 0.002 0.000 0.261 722 K C 0.782 177.376 176.600 -0.011 0.000 0.987 722 K CA 0.560 56.928 56.287 0.136 0.000 0.916 722 K CB 1.556 34.095 32.500 0.064 0.000 1.039 722 K HN 2.017 nan 8.250 nan 0.000 0.455 723 G N 0.734 109.525 108.800 -0.016 0.000 2.725 723 G HA2 -0.224 3.737 3.960 0.002 0.000 0.220 723 G HA3 -0.224 3.737 3.960 0.002 0.000 0.220 723 G C -0.677 174.125 174.900 -0.163 0.000 1.357 723 G CA -0.899 44.128 45.100 -0.121 0.000 0.866 723 G HN 0.496 nan 8.290 nan 0.000 0.548 724 T N 0.899 115.343 114.554 -0.183 0.000 2.856 724 T HA 0.591 4.942 4.350 0.002 0.000 0.292 724 T C -0.251 174.270 174.700 -0.298 0.000 0.980 724 T CA 0.395 62.452 62.100 -0.072 0.000 1.091 724 T CB 0.600 69.481 68.868 0.022 0.000 0.936 724 T HN 0.469 nan 8.240 nan 0.000 0.503 725 F N 1.555 121.565 119.950 0.099 0.000 2.507 725 F HA 0.495 5.023 4.527 0.002 0.000 0.327 725 F C 0.693 176.470 175.800 -0.039 0.000 1.068 725 F CA -1.159 56.805 58.000 -0.060 0.000 0.965 725 F CB 1.589 40.430 39.000 -0.264 0.000 1.192 725 F HN 0.225 nan 8.300 nan 0.000 0.476 726 K N 2.530 122.926 120.400 -0.006 0.000 2.293 726 K HA 0.444 4.765 4.320 0.002 0.000 0.267 726 K C -1.553 174.863 176.600 -0.307 0.000 1.010 726 K CA -0.416 55.827 56.287 -0.073 0.000 0.875 726 K CB 0.968 33.513 32.500 0.075 0.000 1.106 726 K HN 0.324 nan 8.250 nan 0.000 0.450 727 F N 2.100 121.643 119.950 -0.679 0.000 2.404 727 F HA 0.268 4.797 4.527 0.002 0.000 0.354 727 F C 0.075 175.427 175.800 -0.745 0.000 1.122 727 F CA -0.896 56.622 58.000 -0.802 0.000 1.080 727 F CB 1.335 39.474 39.000 -1.434 0.000 1.131 727 F HN 0.073 nan 8.300 nan 0.000 0.471 728 V N 5.698 125.348 119.914 -0.440 0.000 2.350 728 V HA 0.399 4.520 4.120 0.002 0.000 0.285 728 V C -0.200 175.568 176.094 -0.544 0.000 1.014 728 V CA -0.714 61.284 62.300 -0.502 0.000 0.831 728 V CB 1.286 32.681 31.823 -0.714 0.000 1.000 728 V HN 0.573 nan 8.190 nan 0.000 0.433 729 M N 4.920 124.245 119.600 -0.458 0.000 2.072 729 M HA 0.468 4.949 4.480 0.002 0.000 0.331 729 M C 0.113 176.116 176.300 -0.494 0.000 1.004 729 M CA -0.214 54.805 55.300 -0.469 0.000 0.952 729 M CB 1.273 33.663 32.600 -0.350 0.000 1.511 729 M HN 0.706 nan 8.290 nan 0.000 0.422 730 T N -2.055 112.154 114.554 -0.575 0.000 2.922 730 T HA 0.485 4.836 4.350 0.002 0.000 0.281 730 T C 0.194 174.737 174.700 -0.262 0.000 1.005 730 T CA -0.393 61.439 62.100 -0.446 0.000 0.982 730 T CB 1.386 69.905 68.868 -0.582 0.000 1.158 730 T HN 0.714 nan 8.240 nan 0.000 0.566 731 D N -0.255 120.109 120.400 -0.059 0.000 2.870 731 D HA -0.117 4.524 4.640 0.002 0.000 0.228 731 D C -0.483 175.802 176.300 -0.025 0.000 1.147 731 D CA 0.556 54.567 54.000 0.018 0.000 0.757 731 D CB -1.643 39.184 40.800 0.044 0.000 1.091 731 D HN 0.580 nan 8.370 nan 0.000 0.429 732 L N 0.081 121.289 121.223 -0.024 0.000 2.322 732 L HA 0.429 4.770 4.340 0.002 0.000 0.279 732 L C 0.769 177.809 176.870 0.283 0.000 1.036 732 L CA -1.218 53.671 54.840 0.081 0.000 0.807 732 L CB 1.253 43.209 42.059 -0.171 0.000 1.226 732 L HN -0.058 nan 8.230 nan 0.000 0.433 733 L N 5.282 126.778 121.223 0.453 0.000 2.534 733 L HA 0.191 4.532 4.340 0.002 0.000 0.271 733 L C -2.179 174.927 176.870 0.394 0.000 1.178 733 L CA -0.750 54.292 54.840 0.337 0.000 0.907 733 L CB -0.026 42.173 42.059 0.233 0.000 1.164 733 L HN 0.283 nan 8.230 nan 0.000 0.482 734 P HA 0.400 nan 4.420 nan 0.000 0.266 734 P C -0.002 177.404 177.300 0.177 0.000 1.195 734 P CA 0.390 63.626 63.100 0.226 0.000 0.768 734 P CB 0.740 32.527 31.700 0.145 0.000 0.838 735 G N 1.184 110.098 108.800 0.189 0.000 2.320 735 G HA2 0.086 4.047 3.960 0.002 0.000 0.274 735 G HA3 0.086 4.047 3.960 0.002 0.000 0.274 735 G C -1.322 173.656 174.900 0.130 0.000 1.324 735 G CA -0.711 44.444 45.100 0.092 0.000 0.957 735 G HN 0.409 nan 8.290 nan 0.000 0.481 736 T N 0.862 115.426 114.554 0.017 0.000 2.743 736 T HA 0.548 4.899 4.350 0.002 0.000 0.293 736 T C -0.887 173.805 174.700 -0.013 0.000 0.945 736 T CA 0.329 62.466 62.100 0.061 0.000 1.030 736 T CB 0.700 69.583 68.868 0.026 0.000 0.912 736 T HN 0.435 nan 8.240 nan 0.000 0.483 737 W N 1.744 123.085 121.300 0.069 0.000 2.627 737 W HA 0.537 5.198 4.660 0.002 0.000 0.339 737 W C 0.217 176.761 176.519 0.041 0.000 1.058 737 W CA -0.864 56.530 57.345 0.083 0.000 1.223 737 W CB 1.362 30.910 29.460 0.147 0.000 1.389 737 W HN 0.488 nan 8.180 nan 0.000 0.541 738 Q N 1.580 121.535 119.800 0.259 0.000 2.316 738 Q HA 0.614 4.955 4.340 0.002 0.000 0.264 738 Q C -1.490 174.512 176.000 0.003 0.000 0.987 738 Q CA -0.545 55.313 55.803 0.092 0.000 0.852 738 Q CB 1.667 30.410 28.738 0.009 0.000 1.287 738 Q HN 0.379 nan 8.270 nan 0.000 0.448 739 V N 5.277 125.109 119.914 -0.137 0.000 2.370 739 V HA 0.427 4.548 4.120 0.002 0.000 0.283 739 V C -0.630 175.184 176.094 -0.466 0.000 1.023 739 V CA -0.665 61.373 62.300 -0.436 0.000 0.857 739 V CB 1.180 32.677 31.823 -0.543 0.000 0.985 739 V HN 0.686 nan 8.190 nan 0.000 0.443 740 L N 5.107 125.993 121.223 -0.563 0.000 2.346 740 L HA 0.683 5.024 4.340 0.002 0.000 0.274 740 L C -0.113 176.380 176.870 -0.627 0.000 1.007 740 L CA -0.162 54.385 54.840 -0.488 0.000 0.818 740 L CB 1.723 43.567 42.059 -0.358 0.000 1.284 740 L HN 0.473 nan 8.230 nan 0.000 0.424 741 K N 1.994 122.031 120.400 -0.604 0.000 2.482 741 K HA 0.263 4.584 4.320 0.002 0.000 0.251 741 K C -1.217 175.098 176.600 -0.476 0.000 0.936 741 K CA -0.447 55.391 56.287 -0.748 0.000 0.791 741 K CB 1.590 33.490 32.500 -0.999 0.000 1.213 741 K HN 0.654 nan 8.250 nan 0.000 0.428 742 D N 2.709 122.866 120.400 -0.405 0.000 2.701 742 D HA -0.201 4.440 4.640 0.002 0.000 0.235 742 D C 0.671 176.841 176.300 -0.217 0.000 1.155 742 D CA 1.821 55.666 54.000 -0.259 0.000 0.649 742 D CB -1.277 39.396 40.800 -0.212 0.000 1.050 742 D HN 1.062 nan 8.370 nan 0.000 0.425 743 G N -0.945 107.716 108.800 -0.232 0.000 2.162 743 G HA2 -0.375 3.586 3.960 0.002 0.000 0.260 743 G HA3 -0.375 3.586 3.960 0.002 0.000 0.260 743 G C 0.182 174.972 174.900 -0.183 0.000 0.976 743 G CA 0.831 45.820 45.100 -0.185 0.000 0.655 743 G HN 0.535 nan 8.290 nan 0.000 0.533 744 K N -0.293 119.974 120.400 -0.222 0.000 2.316 744 K HA 0.658 4.979 4.320 0.002 0.000 0.251 744 K C 0.445 176.894 176.600 -0.252 0.000 0.934 744 K CA -1.102 55.061 56.287 -0.206 0.000 0.802 744 K CB 2.047 34.432 32.500 -0.191 0.000 1.171 744 K HN 0.150 nan 8.250 nan 0.000 0.426 745 I N 4.055 124.496 120.570 -0.215 0.000 2.664 745 I HA -0.140 4.031 4.170 0.002 0.000 0.284 745 I C 0.892 176.834 176.117 -0.292 0.000 1.154 745 I CA 0.177 61.337 61.300 -0.232 0.000 1.402 745 I CB 0.275 38.178 38.000 -0.162 0.000 1.395 745 I HN 0.575 nan 8.210 nan 0.000 0.545 746 L N 8.723 129.704 121.223 -0.404 0.000 2.265 746 L HA 0.160 4.501 4.340 0.002 0.000 0.195 746 L C -0.132 176.312 176.870 -0.709 0.000 1.083 746 L CA 1.097 55.578 54.840 -0.597 0.000 0.798 746 L CB 0.056 41.666 42.059 -0.749 0.000 0.989 746 L HN 0.383 nan 8.230 nan 0.000 0.472 747 Y N 0.529 120.674 120.300 -0.259 0.000 2.388 747 Y HA 0.365 4.916 4.550 0.002 0.000 0.328 747 Y C -1.609 174.203 175.900 -0.146 0.000 0.963 747 Y CA -2.188 55.797 58.100 -0.192 0.000 1.240 747 Y CB 0.705 39.023 38.460 -0.236 0.000 1.118 747 Y HN 0.085 nan 8.280 nan 0.000 0.484 748 P HA -0.114 nan 4.420 nan 0.000 0.218 748 P C 0.011 177.330 177.300 0.032 0.000 1.148 748 P CA 1.075 64.174 63.100 -0.002 0.000 0.822 748 P CB 0.606 32.302 31.700 -0.007 0.000 0.784 749 A N -0.377 122.482 122.820 0.066 0.000 2.497 749 A HA 0.614 4.935 4.320 0.002 0.000 0.280 749 A C -1.009 176.628 177.584 0.088 0.000 1.065 749 A CA -0.488 51.594 52.037 0.076 0.000 0.781 749 A CB 0.351 19.383 19.000 0.052 0.000 1.289 749 A HN -0.019 nan 8.150 nan 0.000 0.415 750 L N 1.124 122.420 121.223 0.123 0.000 2.341 750 L HA 0.674 5.015 4.340 0.002 0.000 0.267 750 L C 0.173 177.157 176.870 0.191 0.000 1.009 750 L CA -0.811 54.099 54.840 0.117 0.000 0.819 750 L CB 2.491 44.595 42.059 0.076 0.000 1.323 750 L HN 0.585 nan 8.230 nan 0.000 0.425 751 S N 1.133 116.930 115.700 0.163 0.000 2.442 751 S HA 0.648 5.119 4.470 0.002 0.000 0.297 751 S C -0.133 174.590 174.600 0.205 0.000 1.131 751 S CA -0.630 57.683 58.200 0.187 0.000 1.092 751 S CB 1.619 64.894 63.200 0.125 0.000 0.998 751 S HN 0.634 nan 8.310 nan 0.000 0.478 752 A N 4.073 127.064 122.820 0.286 0.000 2.276 752 A HA 0.505 4.826 4.320 0.002 0.000 0.300 752 A C 0.105 177.798 177.584 0.181 0.000 1.235 752 A CA -0.624 51.547 52.037 0.223 0.000 0.867 752 A CB 0.291 19.466 19.000 0.292 0.000 1.137 752 A HN 0.757 nan 8.150 nan 0.000 0.527 753 K N 1.458 121.935 120.400 0.128 0.000 2.090 753 K HA 0.440 4.761 4.320 0.002 0.000 0.249 753 K C 1.476 178.136 176.600 0.100 0.000 0.995 753 K CA 0.084 56.432 56.287 0.101 0.000 0.914 753 K CB 1.123 33.667 32.500 0.072 0.000 1.057 753 K HN 0.685 nan 8.250 nan 0.000 0.462 754 G N 0.754 109.603 108.800 0.081 0.000 2.402 754 G HA2 -0.232 3.729 3.960 0.002 0.000 0.216 754 G HA3 -0.232 3.729 3.960 0.002 0.000 0.216 754 G C 0.791 175.734 174.900 0.072 0.000 1.162 754 G CA 0.760 45.907 45.100 0.078 0.000 0.777 754 G HN 0.582 nan 8.290 nan 0.000 0.539 755 D N 0.798 121.227 120.400 0.049 0.000 2.144 755 D HA -0.068 4.573 4.640 0.002 0.000 0.199 755 D C 2.063 178.397 176.300 0.057 0.000 0.984 755 D CA 1.532 55.547 54.000 0.027 0.000 0.834 755 D CB -0.082 40.706 40.800 -0.021 0.000 0.955 755 D HN 0.526 nan 8.370 nan 0.000 0.465 756 D N -1.733 118.731 120.400 0.107 0.000 2.423 756 D HA 0.114 4.755 4.640 0.002 0.000 0.208 756 D C 1.377 177.812 176.300 0.226 0.000 1.068 756 D CA 0.692 54.828 54.000 0.226 0.000 0.860 756 D CB -0.526 40.417 40.800 0.239 0.000 0.992 756 D HN 0.086 nan 8.370 nan 0.000 0.504 757 G N 0.445 109.331 108.800 0.144 0.000 2.356 757 G HA2 0.043 4.004 3.960 0.002 0.000 0.296 757 G HA3 0.043 4.004 3.960 0.002 0.000 0.296 757 G C 0.266 175.189 174.900 0.039 0.000 1.022 757 G CA 0.500 45.672 45.100 0.121 0.000 0.961 757 G HN 0.896 nan 8.290 nan 0.000 0.510 758 A N -0.593 122.231 122.820 0.007 0.000 2.454 758 A HA 0.876 5.197 4.320 0.002 0.000 0.302 758 A C -0.244 177.301 177.584 -0.065 0.000 1.079 758 A CA -0.772 51.200 52.037 -0.110 0.000 0.731 758 A CB 1.462 20.353 19.000 -0.182 0.000 1.299 758 A HN 0.687 nan 8.150 nan 0.000 0.413 759 L N 1.217 122.365 121.223 -0.126 0.000 2.322 759 L HA 0.521 4.862 4.340 0.002 0.000 0.279 759 L C -1.035 175.861 176.870 0.043 0.000 1.036 759 L CA -0.631 54.214 54.840 0.008 0.000 0.807 759 L CB 1.609 43.690 42.059 0.037 0.000 1.226 759 L HN 0.815 nan 8.230 nan 0.000 0.433 760 Y N 4.148 124.464 120.300 0.025 0.000 2.391 760 Y HA 0.657 5.208 4.550 0.002 0.000 0.341 760 Y C -0.919 175.039 175.900 0.097 0.000 0.965 760 Y CA -1.022 57.056 58.100 -0.037 0.000 1.067 760 Y CB 1.472 39.937 38.460 0.007 0.000 1.199 760 Y HN 0.419 nan 8.280 nan 0.000 0.450 761 F N 1.392 120.852 119.950 -0.817 0.000 2.773 761 F HA 0.613 5.141 4.527 0.002 0.000 0.314 761 F C -1.770 173.764 175.800 -0.443 0.000 1.160 761 F CA -1.314 56.331 58.000 -0.592 0.000 0.920 761 F CB 1.159 39.857 39.000 -0.502 0.000 1.323 761 F HN 0.365 nan 8.300 nan 0.000 0.457 762 E N 0.265 120.518 120.200 0.088 0.000 2.202 762 E HA 0.722 5.073 4.350 0.002 0.000 0.272 762 E C -0.436 176.463 176.600 0.498 0.000 0.951 762 E CA -1.117 55.435 56.400 0.254 0.000 0.813 762 E CB 2.184 32.011 29.700 0.212 0.000 1.151 762 E HN 1.035 nan 8.360 nan 0.000 0.398 763 G N 0.469 109.620 108.800 0.584 0.000 2.623 763 G HA2 0.439 4.400 3.960 0.002 0.000 0.290 763 G HA3 0.439 4.400 3.960 0.002 0.000 0.290 763 G C -0.741 174.556 174.900 0.662 0.000 1.437 763 G CA -0.579 44.868 45.100 0.578 0.000 0.798 763 G HN 0.466 nan 8.290 nan 0.000 0.488 764 T N -2.149 112.716 114.554 0.519 0.000 2.922 764 T HA 0.676 5.027 4.350 0.002 0.000 0.281 764 T C 0.416 175.420 174.700 0.507 0.000 1.005 764 T CA -0.353 62.038 62.100 0.485 0.000 0.982 764 T CB 1.471 70.495 68.868 0.260 0.000 1.158 764 T HN 0.920 nan 8.240 nan 0.000 0.566 765 E N -0.216 120.224 120.200 0.399 0.000 2.437 765 E HA 0.449 4.800 4.350 0.002 0.000 0.263 765 E C 0.425 177.127 176.600 0.169 0.000 1.030 765 E CA -0.574 55.985 56.400 0.265 0.000 0.934 765 E CB -0.248 29.569 29.700 0.195 0.000 0.943 765 E HN 1.161 nan 8.360 nan 0.000 0.444 766 G N 0.784 109.668 108.800 0.140 0.000 2.341 766 G HA2 0.171 4.132 3.960 0.002 0.000 0.293 766 G HA3 0.171 4.132 3.960 0.002 0.000 0.293 766 G C -1.239 173.634 174.900 -0.044 0.000 1.298 766 G CA -0.358 44.719 45.100 -0.038 0.000 0.868 766 G HN 0.605 nan 8.290 nan 0.000 0.540 767 T N 0.143 114.580 114.554 -0.195 0.000 2.753 767 T HA 0.639 4.990 4.350 0.002 0.000 0.297 767 T C -1.087 173.400 174.700 -0.355 0.000 0.981 767 T CA -0.259 61.745 62.100 -0.160 0.000 0.956 767 T CB -0.145 68.656 68.868 -0.112 0.000 0.936 767 T HN 0.380 nan 8.240 nan 0.000 0.463 768 Y N 4.322 124.406 120.300 -0.360 0.000 2.323 768 Y HA 0.660 5.211 4.550 0.002 0.000 0.331 768 Y C 0.902 176.453 175.900 -0.582 0.000 1.092 768 Y CA -0.875 56.872 58.100 -0.589 0.000 1.150 768 Y CB 1.016 39.016 38.460 -0.768 0.000 1.200 768 Y HN 0.329 nan 8.280 nan 0.000 0.472 769 R N 3.047 123.191 120.500 -0.593 0.000 2.686 769 R HA 0.490 4.831 4.340 0.002 0.000 0.283 769 R C -1.943 173.901 176.300 -0.760 0.000 0.978 769 R CA -1.164 54.657 56.100 -0.466 0.000 0.897 769 R CB 1.701 31.840 30.300 -0.270 0.000 1.192 769 R HN 0.547 nan 8.270 nan 0.000 0.457 770 F N 2.481 122.194 119.950 -0.394 0.000 2.529 770 F HA 0.547 5.075 4.527 0.002 0.000 0.320 770 F C 0.059 175.900 175.800 0.068 0.000 1.118 770 F CA -0.726 57.114 58.000 -0.267 0.000 0.915 770 F CB 1.520 40.063 39.000 -0.761 0.000 1.161 770 F HN 0.071 nan 8.300 nan 0.000 0.445 771 L N 3.289 124.711 121.223 0.333 0.000 2.362 771 L HA 0.801 5.142 4.340 0.002 0.000 0.271 771 L C -0.322 176.532 176.870 -0.027 0.000 1.002 771 L CA -0.950 53.984 54.840 0.156 0.000 0.818 771 L CB 2.281 44.351 42.059 0.019 0.000 1.298 771 L HN 0.568 nan 8.230 nan 0.000 0.420 772 R N 0.000 120.284 120.500 -0.360 0.000 2.786 772 R HA 0.000 4.341 4.340 0.002 0.000 0.208 772 R CA 0.000 55.627 56.100 -0.788 0.000 0.921 772 R CB 0.000 29.333 30.300 -1.612 0.000 0.687 772 R HN 0.000 nan 8.270 nan 0.000 0.535