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 2cn2_1_D DATA FIRST_RESID 33 DATA SEQUENCE VTSVPYKWDN VVIGGGGGFX PGIVFNETEK DLIYARADIG GAYRWDPSTE DATA SEQUENCE TWIPLLDHFQ XDEYSYYGVE SIATDPVDPN RVYIVAGXYT NDWLPNXGAI DATA SEQUENCE LRSTDRGETW EKTILPFKXG GNXPGRSXGE RLAIDPNDNR ILYLGTRCGN DATA SEQUENCE GLWRSTDYGV TWSKVESFPN PGTXXXXXXX XXXXXIIGVV WVVFDKSSST DATA SEQUENCE PGNPTKTIYV GVADKNESIY RSTDGGVTWK AVPGQPKGLL PHHGVLASNG DATA SEQUENCE XLYITYGDXX XXXXXXGKGQ VWKFNTRTGE WIDITPIPYS SSDNRFCFAG DATA SEQUENCE LAVDRQNPDI IXVTSXNAWW PDEYIFRSTD GGATWKNIWE WGXYPERILH DATA SEQUENCE YEIDISAAPW LDWGTEKQLP EINPKLGWXI GDIEIDPFNS DRXXYVTGAT DATA SEQUENCE IYGCDNLTDW DRGGKVKIEV KATGIEECAV LDLVSPPEGA PLVSAVGDLV DATA SEQUENCE GFVHDDLKVG PKKXHVPSYS SGTGIDYAEL VPNFXALVAK AXXXXVKKIS DATA SEQUENCE FSYDGGRNWF QPPNEAPNSV GGGSVAVAAD AKSVIWTPEN ASPAVTTDNG DATA SEQUENCE NSWKVCTNLG XGAVVASDRV NGKKFYAFYN GKFYISTDGG LTFTDTKAPQ DATA SEQUENCE LPKSVNKIKA VPGKEGHVWL AAREGGLWRS TDGGYTFEKL SNVDTAHVVG DATA SEQUENCE FGKAAPGQDY XAIYITGKID NVLGFFRSDD AGKTWVRIND DEHGYGAVDT DATA SEQUENCE AITGDPRVYG RVYIATNGRG IVYGEPAS 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.179 176.094 0.142 0.000 1.182 33 V CA 0.000 62.376 62.300 0.126 0.000 1.235 33 V CB 0.000 31.914 31.823 0.151 0.000 1.184 34 T N 3.405 118.045 114.554 0.143 0.000 2.902 34 T HA 0.783 5.132 4.350 -0.000 0.000 0.280 34 T C 0.137 174.924 174.700 0.146 0.000 0.992 34 T CA -0.410 61.764 62.100 0.124 0.000 1.015 34 T CB 1.596 70.525 68.868 0.101 0.000 1.044 34 T HN 0.871 nan 8.240 nan 0.000 0.520 35 S N 0.272 116.042 115.700 0.116 0.000 2.593 35 S HA 0.718 5.187 4.470 -0.000 0.000 0.297 35 S C -0.155 174.518 174.600 0.122 0.000 1.112 35 S CA -0.820 57.447 58.200 0.111 0.000 1.043 35 S CB 1.351 64.600 63.200 0.082 0.000 1.054 35 S HN 0.994 nan 8.310 nan 0.000 0.516 36 V N 0.047 120.049 119.914 0.147 0.000 2.735 36 V HA 0.710 4.830 4.120 -0.000 0.000 0.310 36 V C -2.807 173.431 176.094 0.240 0.000 1.061 36 V CA -2.757 59.655 62.300 0.187 0.000 0.913 36 V CB 1.297 33.260 31.823 0.233 0.000 1.005 36 V HN 0.682 nan 8.190 nan 0.000 0.428 37 P HA 0.334 nan 4.420 nan 0.000 0.271 37 P C -1.614 175.810 177.300 0.207 0.000 1.226 37 P CA 0.347 63.548 63.100 0.168 0.000 0.765 37 P CB 0.303 32.051 31.700 0.080 0.000 0.835 38 Y N 1.320 121.598 120.300 -0.037 0.000 2.524 38 Y HA 0.412 4.962 4.550 -0.000 0.000 0.344 38 Y C 0.771 176.487 175.900 -0.307 0.000 1.012 38 Y CA -0.877 57.090 58.100 -0.221 0.000 1.068 38 Y CB 2.456 40.739 38.460 -0.295 0.000 1.249 38 Y HN 0.253 nan 8.280 nan 0.000 0.468 39 K N 2.698 122.848 120.400 -0.417 0.000 2.213 39 K HA 0.354 4.674 4.320 -0.000 0.000 0.270 39 K C -1.807 174.425 176.600 -0.615 0.000 1.002 39 K CA -0.319 55.745 56.287 -0.372 0.000 0.868 39 K CB 0.667 32.980 32.500 -0.310 0.000 1.093 39 K HN 0.646 nan 8.250 nan 0.000 0.454 40 W N 2.813 123.988 121.300 -0.209 0.000 2.606 40 W HA 0.382 5.041 4.660 -0.001 0.000 0.332 40 W C -0.172 176.287 176.519 -0.101 0.000 1.052 40 W CA -0.125 57.131 57.345 -0.148 0.000 1.223 40 W CB 1.660 31.112 29.460 -0.013 0.000 1.383 40 W HN 0.594 nan 8.180 nan 0.000 0.524 41 D N 0.463 120.901 120.400 0.064 0.000 2.671 41 D HA 0.152 4.792 4.640 -0.000 0.000 0.273 41 D C -1.213 175.170 176.300 0.138 0.000 1.264 41 D CA -0.642 53.408 54.000 0.084 0.000 0.788 41 D CB 1.445 42.229 40.800 -0.027 0.000 1.324 41 D HN 0.200 nan 8.370 nan 0.000 0.424 42 N N 0.173 118.988 118.700 0.192 0.000 2.514 42 N HA 0.233 4.973 4.740 -0.000 0.000 0.277 42 N C -0.390 175.278 175.510 0.263 0.000 1.126 42 N CA -0.179 52.980 53.050 0.181 0.000 0.978 42 N CB 1.413 39.984 38.487 0.141 0.000 1.106 42 N HN 0.133 nan 8.380 nan 0.000 0.461 43 V N 2.530 122.554 119.914 0.182 0.000 2.572 43 V HA 0.017 4.136 4.120 -0.000 0.000 0.291 43 V C 0.553 176.637 176.094 -0.018 0.000 1.039 43 V CA -0.421 61.873 62.300 -0.010 0.000 1.055 43 V CB 1.073 32.760 31.823 -0.227 0.000 0.969 43 V HN 0.282 nan 8.190 nan 0.000 0.482 44 V N 7.293 127.209 119.914 0.005 0.000 2.439 44 V HA 0.163 4.282 4.120 -0.000 0.000 0.271 44 V C 0.942 177.036 176.094 0.001 0.000 1.040 44 V CA 0.395 62.712 62.300 0.028 0.000 1.002 44 V CB 0.695 32.544 31.823 0.043 0.000 1.000 44 V HN 0.747 nan 8.190 nan 0.000 0.477 45 I N 3.019 123.568 120.570 -0.034 0.000 3.039 45 I HA 0.397 4.567 4.170 -0.000 0.000 0.270 45 I C 1.187 177.299 176.117 -0.009 0.000 1.150 45 I CA 0.952 62.139 61.300 -0.188 0.000 1.448 45 I CB 0.113 37.967 38.000 -0.244 0.000 1.197 45 I HN 0.890 nan 8.210 nan 0.000 0.450 46 G N 0.262 109.125 108.800 0.105 0.000 2.785 46 G HA2 0.130 4.090 3.960 -0.000 0.000 0.686 46 G HA3 0.130 4.090 3.960 -0.000 0.000 0.686 46 G C 0.562 175.645 174.900 0.305 0.000 1.155 46 G CA -0.509 44.695 45.100 0.173 0.000 0.760 46 G HN 0.872 nan 8.290 nan 0.000 0.624 47 G N -0.370 108.524 108.800 0.156 0.000 2.153 47 G HA2 0.339 4.299 3.960 -0.000 0.000 0.252 47 G HA3 0.339 4.299 3.960 -0.000 0.000 0.252 47 G C 1.659 176.653 174.900 0.156 0.000 0.994 47 G CA 0.986 46.143 45.100 0.096 0.000 0.698 47 G HN 3.235 nan 8.290 nan 0.000 0.521 48 G N -0.900 107.984 108.800 0.141 0.000 5.219 48 G HA2 0.285 4.244 3.960 -0.000 0.000 0.267 48 G HA3 0.285 4.244 3.960 -0.000 0.000 0.267 48 G C 1.473 176.463 174.900 0.150 0.000 1.495 48 G CA 2.017 47.162 45.100 0.075 0.000 0.988 48 G HN 2.551 nan 8.290 nan 0.000 0.707 49 G N -0.717 108.239 108.800 0.260 0.000 2.213 49 G HA2 0.369 4.329 3.960 -0.000 0.000 0.226 49 G HA3 0.369 4.329 3.960 -0.000 0.000 0.226 49 G C 1.500 176.495 174.900 0.157 0.000 0.992 49 G CA 1.055 46.233 45.100 0.128 0.000 0.632 49 G HN 2.442 nan 8.290 nan 0.000 0.511 50 G N -1.160 107.749 108.800 0.182 0.000 3.021 50 G HA2 0.712 4.672 3.960 -0.000 0.000 0.290 50 G HA3 0.712 4.672 3.960 -0.000 0.000 0.290 50 G C -0.817 174.244 174.900 0.268 0.000 1.291 50 G CA -0.285 44.949 45.100 0.223 0.000 0.834 50 G HN 0.693 nan 8.290 nan 0.000 0.564 54 G N 0.431 109.150 108.800 -0.135 0.000 2.746 54 G HA2 0.691 4.651 3.960 -0.000 0.000 0.297 54 G HA3 0.691 4.651 3.960 -0.000 0.000 0.297 54 G C -1.659 173.243 174.900 0.003 0.000 1.426 54 G CA -0.449 44.655 45.100 0.006 0.000 0.989 54 G HN 0.031 nan 8.290 nan 0.000 0.520 55 I N 0.970 121.576 120.570 0.060 0.000 2.465 55 I HA 0.505 4.674 4.170 -0.000 0.000 0.291 55 I C -0.668 175.541 176.117 0.154 0.000 1.014 55 I CA -1.156 60.187 61.300 0.072 0.000 1.093 55 I CB 2.542 40.585 38.000 0.072 0.000 1.267 55 I HN 0.160 nan 8.210 nan 0.000 0.431 56 V N 6.336 126.357 119.914 0.178 0.000 2.482 56 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 56 V C -0.573 175.665 176.094 0.241 0.000 1.026 56 V CA -0.571 61.879 62.300 0.251 0.000 0.856 56 V CB 1.456 33.439 31.823 0.267 0.000 1.001 56 V HN 0.388 nan 8.190 nan 0.000 0.424 57 F N 3.319 123.401 119.950 0.221 0.000 2.396 57 F HA 0.331 4.857 4.527 -0.001 0.000 0.343 57 F C 1.086 177.035 175.800 0.248 0.000 1.104 57 F CA 0.012 58.141 58.000 0.215 0.000 1.161 57 F CB 0.837 39.935 39.000 0.162 0.000 1.146 57 F HN 0.478 nan 8.300 nan 0.000 0.522 58 N N 3.025 121.992 118.700 0.445 0.000 2.492 58 N HA -0.056 4.684 4.740 -0.000 0.000 0.262 58 N C 0.752 176.510 175.510 0.413 0.000 1.202 58 N CA 0.103 53.385 53.050 0.386 0.000 0.926 58 N CB 0.823 39.509 38.487 0.331 0.000 1.078 58 N HN 0.648 nan 8.380 nan 0.000 0.454 59 E N 1.426 121.817 120.200 0.319 0.000 2.285 59 E HA -0.084 4.265 4.350 -0.000 0.000 0.194 59 E C 1.154 177.940 176.600 0.310 0.000 0.997 59 E CA 1.169 57.719 56.400 0.249 0.000 0.845 59 E CB 0.202 30.002 29.700 0.166 0.000 0.782 59 E HN 0.809 nan 8.360 nan 0.000 0.491 60 T N -2.628 112.152 114.554 0.376 0.000 2.975 60 T HA 0.119 4.469 4.350 -0.000 0.000 0.261 60 T C 0.492 175.421 174.700 0.381 0.000 0.984 60 T CA -0.314 62.036 62.100 0.417 0.000 0.911 60 T CB 0.422 69.428 68.868 0.231 0.000 1.127 60 T HN -0.150 nan 8.240 nan 0.000 0.514 61 E N 2.193 122.544 120.200 0.251 0.000 2.101 61 E HA 0.371 4.721 4.350 -0.000 0.000 0.260 61 E C -0.341 176.136 176.600 -0.205 0.000 0.897 61 E CA -0.583 55.818 56.400 0.001 0.000 0.744 61 E CB 0.960 30.700 29.700 0.067 0.000 1.140 61 E HN 0.309 nan 8.360 nan 0.000 0.419 62 K N 3.531 123.460 120.400 -0.785 0.000 2.489 62 K HA -0.047 4.273 4.320 -0.000 0.000 0.278 62 K C -0.464 175.999 176.600 -0.229 0.000 1.000 62 K CA 0.540 56.302 56.287 -0.875 0.000 1.012 62 K CB 0.324 32.214 32.500 -1.017 0.000 0.903 62 K HN 0.632 nan 8.250 nan 0.000 0.485 63 D N 0.728 121.118 120.400 -0.016 0.000 3.079 63 D HA -0.217 4.422 4.640 -0.000 0.000 0.214 63 D C -0.612 175.741 176.300 0.089 0.000 1.145 63 D CA 0.881 54.937 54.000 0.092 0.000 0.958 63 D CB -0.864 39.984 40.800 0.081 0.000 1.117 63 D HN 0.327 nan 8.370 nan 0.000 0.416 64 L N 1.271 122.529 121.223 0.058 0.000 2.255 64 L HA 0.510 4.850 4.340 -0.000 0.000 0.289 64 L C -0.319 176.530 176.870 -0.036 0.000 1.046 64 L CA -0.262 54.579 54.840 0.002 0.000 0.816 64 L CB 0.565 42.652 42.059 0.047 0.000 1.197 64 L HN 0.038 nan 8.230 nan 0.000 0.427 65 I N 4.332 124.775 120.570 -0.211 0.000 2.769 65 I HA 0.444 4.614 4.170 -0.000 0.000 0.298 65 I C -1.258 174.782 176.117 -0.129 0.000 1.128 65 I CA -0.762 60.379 61.300 -0.264 0.000 1.031 65 I CB 1.995 39.619 38.000 -0.627 0.000 1.235 65 I HN 0.379 nan 8.210 nan 0.000 0.423 66 Y N 2.405 122.860 120.300 0.258 0.000 2.570 66 Y HA 0.848 5.398 4.550 -0.000 0.000 0.345 66 Y C 0.019 176.076 175.900 0.261 0.000 1.014 66 Y CA -0.914 57.416 58.100 0.383 0.000 1.063 66 Y CB 2.310 40.929 38.460 0.266 0.000 1.272 66 Y HN 0.661 nan 8.280 nan 0.000 0.477 67 A N 1.970 124.969 122.820 0.299 0.000 2.449 67 A HA 0.857 5.177 4.320 -0.000 0.000 0.302 67 A C -1.278 176.349 177.584 0.071 0.000 1.048 67 A CA -1.064 50.941 52.037 -0.053 0.000 0.708 67 A CB 1.446 20.030 19.000 -0.693 0.000 1.274 67 A HN 0.813 nan 8.150 nan 0.000 0.410 68 R N 1.198 121.703 120.500 0.008 0.000 2.637 68 R HA 0.842 5.181 4.340 -0.000 0.000 0.291 68 R C -0.321 175.954 176.300 -0.041 0.000 0.963 68 R CA -0.323 55.788 56.100 0.019 0.000 0.901 68 R CB 1.895 32.199 30.300 0.007 0.000 1.160 68 R HN 0.876 nan 8.270 nan 0.000 0.457 69 A N 1.551 124.373 122.820 0.004 0.000 2.294 69 A HA 0.285 4.604 4.320 -0.000 0.000 0.330 69 A C 0.093 177.646 177.584 -0.051 0.000 1.133 69 A CA -0.678 51.352 52.037 -0.012 0.000 0.836 69 A CB 0.997 20.059 19.000 0.105 0.000 1.190 69 A HN 0.954 nan 8.150 nan 0.000 0.492 70 D N 0.207 120.571 120.400 -0.061 0.000 2.194 70 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 70 D C 1.029 177.305 176.300 -0.041 0.000 0.964 70 D CA 1.749 55.721 54.000 -0.046 0.000 0.846 70 D CB -0.240 40.571 40.800 0.018 0.000 0.962 70 D HN 0.585 nan 8.370 nan 0.000 0.490 71 I N -4.715 115.871 120.570 0.025 0.000 4.338 71 I HA 0.553 4.723 4.170 -0.000 0.000 0.329 71 I C 1.145 177.322 176.117 0.099 0.000 1.378 71 I CA -0.326 60.991 61.300 0.028 0.000 1.170 71 I CB 1.116 39.188 38.000 0.120 0.000 1.206 71 I HN -0.019 nan 8.210 nan 0.000 0.432 72 G N 0.729 109.609 108.800 0.133 0.000 4.100 72 G HA2 0.577 4.536 3.960 -0.000 0.000 0.294 72 G HA3 0.577 4.536 3.960 -0.000 0.000 0.294 72 G C 0.651 175.713 174.900 0.271 0.000 1.040 72 G CA 0.121 45.343 45.100 0.203 0.000 0.829 72 G HN 0.730 nan 8.290 nan 0.000 0.505 73 G N -0.069 108.885 108.800 0.256 0.000 2.525 73 G HA2 0.335 4.294 3.960 -0.000 0.000 0.248 73 G HA3 0.335 4.294 3.960 -0.000 0.000 0.248 73 G C 0.144 175.060 174.900 0.026 0.000 1.238 73 G CA 0.065 45.239 45.100 0.123 0.000 0.926 73 G HN 1.713 nan 8.290 nan 0.000 0.574 74 A N -1.691 121.088 122.820 -0.068 0.000 2.594 74 A HA 0.885 5.205 4.320 -0.000 0.000 0.291 74 A C -1.364 176.193 177.584 -0.046 0.000 1.105 74 A CA -0.354 51.711 52.037 0.046 0.000 0.694 74 A CB 1.413 20.462 19.000 0.083 0.000 1.291 74 A HN 1.571 nan 8.150 nan 0.000 0.410 75 Y N -0.316 120.138 120.300 0.256 0.000 2.524 75 Y HA 0.677 5.226 4.550 -0.001 0.000 0.347 75 Y C 0.240 176.466 175.900 0.543 0.000 1.005 75 Y CA -0.573 57.750 58.100 0.372 0.000 1.025 75 Y CB 2.174 40.828 38.460 0.323 0.000 1.275 75 Y HN 0.783 nan 8.280 nan 0.000 0.460 76 R N 2.747 123.610 120.500 0.605 0.000 2.393 76 R HA 0.190 4.529 4.340 -0.000 0.000 0.310 76 R C -0.933 175.523 176.300 0.260 0.000 0.968 76 R CA -0.610 55.653 56.100 0.272 0.000 0.867 76 R CB 1.003 31.325 30.300 0.037 0.000 1.124 76 R HN 0.909 nan 8.270 nan 0.000 0.450 77 W N 5.106 126.242 121.300 -0.274 0.000 2.210 77 W HA 0.011 4.670 4.660 -0.001 0.000 0.330 77 W C -0.841 175.439 176.519 -0.398 0.000 1.334 77 W CA 0.319 57.231 57.345 -0.722 0.000 1.227 77 W CB 0.865 29.730 29.460 -0.992 0.000 1.178 77 W HN 0.539 nan 8.180 nan 0.000 0.560 78 D N 8.085 127.875 120.400 -1.017 0.000 2.460 78 D HA 0.212 4.852 4.640 -0.000 0.000 0.232 78 D C -1.365 174.285 176.300 -1.083 0.000 1.079 78 D CA -2.487 51.051 54.000 -0.771 0.000 0.864 78 D CB 1.630 42.138 40.800 -0.486 0.000 1.048 78 D HN 0.088 nan 8.370 nan 0.000 0.523 79 P HA -0.132 nan 4.420 nan 0.000 0.221 79 P C 1.205 178.354 177.300 -0.252 0.000 1.150 79 P CA 0.707 63.610 63.100 -0.328 0.000 0.800 79 P CB 0.145 31.834 31.700 -0.019 0.000 0.787 80 S N -0.664 114.888 115.700 -0.247 0.000 2.447 80 S HA -0.066 4.403 4.470 -0.000 0.000 0.233 80 S C 1.606 176.097 174.600 -0.181 0.000 1.006 80 S CA 1.669 59.768 58.200 -0.168 0.000 0.957 80 S CB -1.538 61.583 63.200 -0.132 0.000 0.773 80 S HN 0.340 nan 8.310 nan 0.000 0.507 81 T N -2.553 111.833 114.554 -0.279 0.000 3.016 81 T HA 0.362 4.712 4.350 -0.000 0.000 0.271 81 T C 0.023 174.531 174.700 -0.320 0.000 0.968 81 T CA 0.063 62.016 62.100 -0.245 0.000 0.891 81 T CB -0.424 68.316 68.868 -0.213 0.000 1.149 81 T HN 0.379 nan 8.240 nan 0.000 0.524 82 E N 2.011 121.890 120.200 -0.535 0.000 2.297 82 E HA -0.168 4.182 4.350 -0.000 0.000 0.228 82 E C -0.245 175.858 176.600 -0.828 0.000 1.213 82 E CA 0.731 56.687 56.400 -0.740 0.000 0.712 82 E CB -1.958 27.675 29.700 -0.111 0.000 1.202 82 E HN 0.884 nan 8.360 nan 0.000 0.376 83 T N -3.647 110.300 114.554 -1.012 0.000 2.901 83 T HA 0.633 4.982 4.350 -0.000 0.000 0.293 83 T C -0.551 173.783 174.700 -0.611 0.000 1.084 83 T CA -0.967 60.809 62.100 -0.541 0.000 1.008 83 T CB 1.104 69.846 68.868 -0.209 0.000 1.170 83 T HN 0.239 nan 8.240 nan 0.000 0.509 84 W N 0.587 121.844 121.300 -0.073 0.000 2.438 84 W HA 0.704 5.364 4.660 0.000 0.000 0.324 84 W C -0.301 176.348 176.519 0.217 0.000 1.119 84 W CA -1.013 56.393 57.345 0.102 0.000 1.221 84 W CB 1.041 30.530 29.460 0.049 0.000 1.253 84 W HN 0.536 nan 8.180 nan 0.000 0.555 85 I N 5.749 126.641 120.570 0.537 0.000 2.362 85 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 85 I C -1.920 174.437 176.117 0.400 0.000 0.994 85 I CA -2.426 59.109 61.300 0.391 0.000 1.158 85 I CB 1.574 39.683 38.000 0.182 0.000 1.315 85 I HN -0.019 nan 8.210 nan 0.000 0.451 86 P HA 0.157 nan 4.420 nan 0.000 0.275 86 P C 0.015 177.308 177.300 -0.012 0.000 1.227 86 P CA -0.073 62.884 63.100 -0.238 0.000 0.781 86 P CB 1.414 33.044 31.700 -0.118 0.000 0.906 87 L N 2.042 123.259 121.223 -0.010 0.000 2.672 87 L HA 0.242 4.582 4.340 -0.000 0.000 0.236 87 L C 1.574 178.548 176.870 0.173 0.000 1.092 87 L CA 0.335 55.298 54.840 0.205 0.000 0.887 87 L CB -0.001 42.309 42.059 0.419 0.000 1.168 87 L HN 0.284 nan 8.230 nan 0.000 0.502 88 L N -0.602 120.605 121.223 -0.028 0.000 3.014 88 L HA 0.187 4.527 4.340 -0.000 0.000 0.263 88 L C 0.639 177.357 176.870 -0.253 0.000 1.207 88 L CA -0.178 54.530 54.840 -0.220 0.000 1.017 88 L CB 0.240 42.111 42.059 -0.312 0.000 1.360 88 L HN 0.041 nan 8.230 nan 0.000 0.560 89 D N 0.004 120.364 120.400 -0.067 0.000 2.378 89 D HA -0.146 4.494 4.640 -0.000 0.000 0.222 89 D C 1.820 177.944 176.300 -0.294 0.000 0.980 89 D CA 0.948 54.887 54.000 -0.102 0.000 0.907 89 D CB 0.022 40.670 40.800 -0.253 0.000 0.899 89 D HN 0.602 nan 8.370 nan 0.000 0.527 90 H N -1.090 117.761 119.070 -0.364 0.000 2.491 90 H HA -0.036 4.519 4.556 -0.000 0.000 0.290 90 H C 0.262 175.424 175.328 -0.278 0.000 1.050 90 H CA 0.161 55.979 56.048 -0.383 0.000 1.309 90 H CB -0.583 28.933 29.762 -0.410 0.000 1.392 90 H HN -0.098 nan 8.280 nan 0.000 0.554 91 F N 3.301 122.825 119.950 -0.709 0.000 2.541 91 F HA 0.082 4.608 4.527 -0.000 0.000 0.378 91 F C 0.822 176.589 175.800 -0.055 0.000 1.068 91 F CA -0.186 57.538 58.000 -0.460 0.000 1.199 91 F CB 0.382 38.977 39.000 -0.674 0.000 1.091 91 F HN 0.300 nan 8.300 nan 0.000 0.555 95 E N -0.134 120.052 120.200 -0.023 0.000 2.968 95 E HA 0.082 4.432 4.350 -0.000 0.000 0.202 95 E C 0.261 176.724 176.600 -0.228 0.000 0.979 95 E CA -0.469 55.783 56.400 -0.248 0.000 1.192 95 E CB 0.489 30.117 29.700 -0.120 0.000 1.059 95 E HN 0.099 nan 8.360 nan 0.000 0.470 96 Y N 1.477 121.714 120.300 -0.105 0.000 2.193 96 Y HA -0.308 4.241 4.550 -0.001 0.000 0.285 96 Y C 2.361 178.234 175.900 -0.044 0.000 1.166 96 Y CA 1.963 60.096 58.100 0.054 0.000 1.181 96 Y CB -0.272 38.191 38.460 0.006 0.000 0.976 96 Y HN 0.100 nan 8.280 nan 0.000 0.520 97 S N -0.728 114.692 115.700 -0.467 0.000 2.402 97 S HA -0.237 4.232 4.470 -0.000 0.000 0.233 97 S C 1.639 175.905 174.600 -0.556 0.000 1.030 97 S CA 1.587 59.435 58.200 -0.586 0.000 1.003 97 S CB -0.666 62.211 63.200 -0.537 0.000 0.813 97 S HN 0.610 nan 8.310 nan 0.000 0.477 98 Y N 0.100 120.007 120.300 -0.654 0.000 2.578 98 Y HA 0.166 4.715 4.550 -0.000 0.000 0.297 98 Y C 1.409 176.818 175.900 -0.817 0.000 1.176 98 Y CA -0.594 56.957 58.100 -0.915 0.000 1.315 98 Y CB -1.172 36.276 38.460 -1.687 0.000 1.031 98 Y HN 0.409 nan 8.280 nan 0.000 0.524 99 Y N -0.273 119.791 120.300 -0.392 0.000 2.571 99 Y HA 0.093 4.642 4.550 -0.001 0.000 0.294 99 Y C 1.897 177.638 175.900 -0.265 0.000 1.141 99 Y CA 0.232 58.181 58.100 -0.251 0.000 1.308 99 Y CB -0.260 38.102 38.460 -0.164 0.000 1.002 99 Y HN -0.013 nan 8.280 nan 0.000 0.551 100 G N 0.808 109.465 108.800 -0.238 0.000 2.444 100 G HA2 0.379 4.338 3.960 -0.000 0.000 0.303 100 G HA3 0.379 4.338 3.960 -0.000 0.000 0.303 100 G C -0.823 173.967 174.900 -0.184 0.000 1.032 100 G CA -0.274 44.685 45.100 -0.235 0.000 1.137 100 G HN -0.016 nan 8.290 nan 0.000 0.430 101 V N 3.373 123.207 119.914 -0.133 0.000 2.288 101 V HA 0.120 4.240 4.120 -0.000 0.000 0.266 101 V C 1.226 177.265 176.094 -0.092 0.000 1.048 101 V CA -0.341 61.889 62.300 -0.117 0.000 0.842 101 V CB 0.838 32.608 31.823 -0.087 0.000 1.064 101 V HN 0.963 nan 8.190 nan 0.000 0.472 102 E N 3.480 123.621 120.200 -0.098 0.000 2.077 102 E HA -0.086 4.263 4.350 -0.000 0.000 0.193 102 E C 0.939 177.520 176.600 -0.032 0.000 0.989 102 E CA 1.257 57.615 56.400 -0.070 0.000 0.800 102 E CB 0.267 29.917 29.700 -0.083 0.000 0.746 102 E HN 0.643 nan 8.360 nan 0.000 0.452 103 S N -1.483 114.202 115.700 -0.024 0.000 2.547 103 S HA 0.538 5.007 4.470 -0.000 0.000 0.270 103 S C -1.765 172.859 174.600 0.040 0.000 1.150 103 S CA -0.861 57.355 58.200 0.028 0.000 0.850 103 S CB 0.964 64.193 63.200 0.048 0.000 1.118 103 S HN 0.232 nan 8.310 nan 0.000 0.461 104 I N 2.581 123.201 120.570 0.084 0.000 2.619 104 I HA 0.828 4.998 4.170 -0.000 0.000 0.292 104 I C -0.955 175.245 176.117 0.139 0.000 1.100 104 I CA -0.449 60.906 61.300 0.092 0.000 1.043 104 I CB 1.765 39.806 38.000 0.068 0.000 1.239 104 I HN 0.811 nan 8.210 nan 0.000 0.420 105 A N 4.352 127.271 122.820 0.165 0.000 2.374 105 A HA 0.694 5.014 4.320 -0.000 0.000 0.305 105 A C -0.743 176.959 177.584 0.197 0.000 1.053 105 A CA -0.500 51.671 52.037 0.222 0.000 0.726 105 A CB 1.678 20.849 19.000 0.284 0.000 1.229 105 A HN 0.594 nan 8.150 nan 0.000 0.431 106 T N 1.046 115.716 114.554 0.193 0.000 2.779 106 T HA 0.396 4.746 4.350 -0.000 0.000 0.280 106 T C -0.869 173.980 174.700 0.247 0.000 0.987 106 T CA -0.467 61.747 62.100 0.190 0.000 0.966 106 T CB 0.678 69.732 68.868 0.309 0.000 0.933 106 T HN 0.623 nan 8.240 nan 0.000 0.442 107 D N 5.762 126.304 120.400 0.236 0.000 2.358 107 D HA 0.209 4.848 4.640 -0.000 0.000 0.258 107 D C -1.337 175.076 176.300 0.189 0.000 1.223 107 D CA -2.091 52.047 54.000 0.230 0.000 0.886 107 D CB 1.847 42.791 40.800 0.241 0.000 1.120 107 D HN 0.336 nan 8.370 nan 0.000 0.482 108 P HA -0.043 nan 4.420 nan 0.000 0.235 108 P C 1.324 178.700 177.300 0.126 0.000 1.177 108 P CA 0.115 63.310 63.100 0.158 0.000 0.785 108 P CB 0.692 32.481 31.700 0.148 0.000 0.885 109 V N 0.288 120.269 119.914 0.112 0.000 2.331 109 V HA -0.001 4.119 4.120 -0.000 0.000 0.242 109 V C 0.945 177.094 176.094 0.092 0.000 1.034 109 V CA 1.712 64.069 62.300 0.094 0.000 1.027 109 V CB -0.697 31.179 31.823 0.089 0.000 0.667 109 V HN 0.096 nan 8.190 nan 0.000 0.457 110 D N 0.183 120.644 120.400 0.103 0.000 2.438 110 D HA 0.246 4.886 4.640 -0.000 0.000 0.257 110 D C -2.037 174.310 176.300 0.079 0.000 1.148 110 D CA -2.290 51.754 54.000 0.074 0.000 0.902 110 D CB 1.768 42.599 40.800 0.051 0.000 1.062 110 D HN 0.136 nan 8.370 nan 0.000 0.518 111 P HA -0.034 nan 4.420 nan 0.000 0.239 111 P C 0.654 178.001 177.300 0.078 0.000 1.184 111 P CA 0.285 63.450 63.100 0.107 0.000 0.760 111 P CB 0.438 32.203 31.700 0.108 0.000 0.884 112 N N 0.096 118.809 118.700 0.022 0.000 2.396 112 N HA -0.036 4.703 4.740 -0.000 0.000 0.180 112 N C 0.815 176.274 175.510 -0.085 0.000 1.028 112 N CA 0.542 53.575 53.050 -0.029 0.000 0.893 112 N CB -0.172 38.279 38.487 -0.060 0.000 0.967 112 N HN 0.291 nan 8.380 nan 0.000 0.440 113 R N 0.423 120.878 120.500 -0.074 0.000 2.357 113 R HA 0.447 4.787 4.340 -0.000 0.000 0.296 113 R C -0.643 175.539 176.300 -0.197 0.000 1.052 113 R CA -0.247 55.739 56.100 -0.191 0.000 0.988 113 R CB 2.061 32.300 30.300 -0.103 0.000 1.025 113 R HN -0.185 nan 8.270 nan 0.000 0.469 114 V N 4.192 123.846 119.914 -0.433 0.000 3.012 114 V HA 0.527 4.646 4.120 -0.000 0.000 0.307 114 V C -1.867 173.997 176.094 -0.383 0.000 1.166 114 V CA -0.685 61.418 62.300 -0.329 0.000 0.974 114 V CB 1.994 33.578 31.823 -0.397 0.000 1.040 114 V HN 0.694 nan 8.190 nan 0.000 0.428 115 Y N 5.014 125.394 120.300 0.133 0.000 2.512 115 Y HA 0.734 5.284 4.550 -0.000 0.000 0.348 115 Y C -0.071 175.924 175.900 0.159 0.000 0.990 115 Y CA -0.777 57.462 58.100 0.233 0.000 1.033 115 Y CB 2.255 40.847 38.460 0.220 0.000 1.259 115 Y HN 0.481 nan 8.280 nan 0.000 0.461 116 I N 2.267 122.988 120.570 0.253 0.000 2.498 116 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 116 I C -1.206 174.877 176.117 -0.057 0.000 1.032 116 I CA -1.119 60.192 61.300 0.018 0.000 1.073 116 I CB 2.193 40.069 38.000 -0.206 0.000 1.251 116 I HN 0.319 nan 8.210 nan 0.000 0.426 117 V N 6.654 126.516 119.914 -0.087 0.000 2.348 117 V HA 0.720 4.840 4.120 -0.000 0.000 0.270 117 V C 0.105 176.080 176.094 -0.198 0.000 1.037 117 V CA -0.048 62.147 62.300 -0.174 0.000 0.872 117 V CB 1.015 32.740 31.823 -0.164 0.000 1.002 117 V HN 0.789 nan 8.190 nan 0.000 0.464 118 A N 5.027 127.684 122.820 -0.272 0.000 2.350 118 A HA 1.049 5.368 4.320 -0.000 0.000 0.324 118 A C 0.198 177.694 177.584 -0.147 0.000 1.118 118 A CA 0.143 52.023 52.037 -0.261 0.000 0.783 118 A CB 1.694 20.442 19.000 -0.421 0.000 1.236 118 A HN 1.968 nan 8.150 nan 0.000 0.457 122 T N -2.871 111.701 114.554 0.030 0.000 3.100 122 T HA 0.106 4.455 4.350 -0.000 0.000 0.253 122 T C 0.383 175.033 174.700 -0.082 0.000 1.118 122 T CA 0.665 62.745 62.100 -0.033 0.000 1.058 122 T CB -0.402 68.438 68.868 -0.047 0.000 0.953 122 T HN 0.577 nan 8.240 nan 0.000 0.515 123 N N 2.003 120.607 118.700 -0.159 0.000 2.681 123 N HA 0.221 4.960 4.740 -0.000 0.000 0.311 123 N C 0.317 175.726 175.510 -0.169 0.000 1.303 123 N CA -0.379 52.512 53.050 -0.264 0.000 0.926 123 N CB 0.179 38.314 38.487 -0.586 0.000 1.136 123 N HN 0.083 nan 8.380 nan 0.000 0.592 124 D N -2.265 118.034 120.400 -0.168 0.000 2.328 124 D HA -0.030 4.610 4.640 -0.000 0.000 0.226 124 D C 0.529 176.906 176.300 0.128 0.000 1.066 124 D CA -0.112 53.882 54.000 -0.009 0.000 0.861 124 D CB -0.413 40.394 40.800 0.011 0.000 0.912 124 D HN 0.437 nan 8.370 nan 0.000 0.521 125 W N 0.999 122.256 121.300 -0.070 0.000 2.342 125 W HA 0.143 4.803 4.660 -0.001 0.000 0.297 125 W C 0.701 177.215 176.519 -0.008 0.000 1.213 125 W CA 0.207 57.483 57.345 -0.114 0.000 1.251 125 W CB -0.500 28.731 29.460 -0.381 0.000 1.136 125 W HN 0.018 nan 8.180 nan 0.000 0.526 126 L N 0.449 121.834 121.223 0.269 0.000 2.370 126 L HA 0.249 4.589 4.340 -0.000 0.000 0.266 126 L C -1.097 175.816 176.870 0.071 0.000 1.002 126 L CA -1.806 53.133 54.840 0.165 0.000 0.818 126 L CB 2.639 44.804 42.059 0.177 0.000 1.325 126 L HN -0.429 nan 8.230 nan 0.000 0.418 127 P HA 0.006 nan 4.420 nan 0.000 0.235 127 P C -0.104 177.172 177.300 -0.039 0.000 1.177 127 P CA 0.420 63.519 63.100 -0.002 0.000 0.785 127 P CB 0.204 31.905 31.700 0.002 0.000 0.885 131 A N -0.060 122.504 122.820 -0.427 0.000 2.572 131 A HA 0.751 5.071 4.320 -0.000 0.000 0.295 131 A C -1.221 176.081 177.584 -0.471 0.000 1.072 131 A CA -0.603 51.123 52.037 -0.518 0.000 0.691 131 A CB 1.482 20.010 19.000 -0.788 0.000 1.291 131 A HN 0.794 nan 8.150 nan 0.000 0.404 132 I N 2.578 122.916 120.570 -0.388 0.000 2.312 132 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 132 I C -0.354 175.736 176.117 -0.045 0.000 1.008 132 I CA -0.118 61.041 61.300 -0.234 0.000 1.226 132 I CB 0.641 38.490 38.000 -0.252 0.000 1.371 132 I HN 0.501 nan 8.210 nan 0.000 0.468 133 L N 7.408 128.626 121.223 -0.010 0.000 2.334 133 L HA 0.594 4.934 4.340 -0.000 0.000 0.277 133 L C 0.377 177.495 176.870 0.412 0.000 1.075 133 L CA -0.801 54.119 54.840 0.133 0.000 0.804 133 L CB 0.786 42.772 42.059 -0.123 0.000 1.174 133 L HN 0.614 nan 8.230 nan 0.000 0.438 134 R N 1.302 122.066 120.500 0.442 0.000 2.628 134 R HA 0.759 5.099 4.340 -0.000 0.000 0.288 134 R C -1.142 175.151 176.300 -0.011 0.000 0.980 134 R CA -0.576 55.661 56.100 0.228 0.000 0.891 134 R CB 2.057 32.510 30.300 0.255 0.000 1.188 134 R HN 0.558 nan 8.270 nan 0.000 0.450 135 S N 0.464 115.910 115.700 -0.423 0.000 2.541 135 S HA 0.338 4.807 4.470 -0.000 0.000 0.280 135 S C 0.041 174.338 174.600 -0.504 0.000 1.112 135 S CA -0.467 57.339 58.200 -0.657 0.000 0.925 135 S CB 1.879 64.264 63.200 -1.358 0.000 1.067 135 S HN 0.728 nan 8.310 nan 0.000 0.479 136 T N -0.186 114.139 114.554 -0.383 0.000 3.174 136 T HA 0.282 4.631 4.350 -0.000 0.000 0.269 136 T C -0.143 174.411 174.700 -0.243 0.000 1.017 136 T CA -0.012 61.918 62.100 -0.283 0.000 0.899 136 T CB -0.352 68.384 68.868 -0.220 0.000 1.077 136 T HN 0.622 nan 8.240 nan 0.000 0.552 137 D N 0.629 120.850 120.400 -0.298 0.000 2.760 137 D HA 0.175 4.814 4.640 -0.000 0.000 0.314 137 D C 0.485 176.658 176.300 -0.212 0.000 1.464 137 D CA -0.786 53.078 54.000 -0.228 0.000 0.797 137 D CB -0.307 40.362 40.800 -0.217 0.000 1.149 137 D HN 0.253 nan 8.370 nan 0.000 0.455 138 R N -0.133 120.251 120.500 -0.193 0.000 3.774 138 R HA -0.087 4.253 4.340 -0.000 0.000 0.320 138 R C 0.961 177.250 176.300 -0.017 0.000 1.175 138 R CA 0.516 56.605 56.100 -0.018 0.000 0.849 138 R CB -2.207 28.124 30.300 0.051 0.000 1.365 138 R HN 0.648 nan 8.270 nan 0.000 0.502 139 G N -0.266 108.276 108.800 -0.429 0.000 2.136 139 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.242 139 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.242 139 G C 0.694 175.379 174.900 -0.360 0.000 0.989 139 G CA 0.406 45.108 45.100 -0.664 0.000 0.682 139 G HN 0.380 nan 8.290 nan 0.000 0.522 140 E N 0.005 120.001 120.200 -0.341 0.000 2.072 140 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 140 E C 1.664 178.094 176.600 -0.283 0.000 0.985 140 E CA 1.818 58.093 56.400 -0.208 0.000 0.801 140 E CB -0.081 29.521 29.700 -0.163 0.000 0.750 140 E HN 0.943 nan 8.360 nan 0.000 0.452 141 T N -2.592 111.667 114.554 -0.492 0.000 2.906 141 T HA 0.556 4.906 4.350 -0.000 0.000 0.295 141 T C -1.126 173.169 174.700 -0.674 0.000 1.061 141 T CA -0.937 60.898 62.100 -0.441 0.000 1.000 141 T CB 1.382 70.079 68.868 -0.284 0.000 1.103 141 T HN 0.022 nan 8.240 nan 0.000 0.486 142 W N 0.227 121.343 121.300 -0.305 0.000 2.950 142 W HA 0.678 5.338 4.660 -0.000 0.000 0.340 142 W C -0.118 176.288 176.519 -0.188 0.000 1.139 142 W CA -0.686 56.519 57.345 -0.232 0.000 1.188 142 W CB 1.775 31.094 29.460 -0.234 0.000 1.426 142 W HN 0.601 nan 8.180 nan 0.000 0.531 143 E N 1.607 121.893 120.200 0.142 0.000 2.299 143 E HA 0.536 4.886 4.350 -0.000 0.000 0.260 143 E C -0.899 175.795 176.600 0.156 0.000 0.944 143 E CA -1.126 55.338 56.400 0.105 0.000 0.815 143 E CB 2.387 32.125 29.700 0.063 0.000 1.252 143 E HN 0.507 nan 8.360 nan 0.000 0.418 144 K N -0.974 119.488 120.400 0.104 0.000 2.477 144 K HA 0.626 4.945 4.320 -0.000 0.000 0.255 144 K C -1.087 175.540 176.600 0.045 0.000 0.952 144 K CA -0.720 55.602 56.287 0.057 0.000 0.826 144 K CB 1.748 34.236 32.500 -0.021 0.000 1.331 144 K HN 0.174 nan 8.250 nan 0.000 0.437 145 T N 2.860 117.427 114.554 0.022 0.000 2.786 145 T HA 0.371 4.721 4.350 -0.000 0.000 0.283 145 T C -0.135 174.504 174.700 -0.102 0.000 0.992 145 T CA -0.792 61.325 62.100 0.027 0.000 0.954 145 T CB 0.444 69.413 68.868 0.168 0.000 0.934 145 T HN 0.395 nan 8.240 nan 0.000 0.440 146 I N 4.237 124.754 120.570 -0.090 0.000 2.441 146 I HA 0.304 4.474 4.170 -0.000 0.000 0.287 146 I C 0.326 176.314 176.117 -0.215 0.000 1.049 146 I CA -0.442 60.765 61.300 -0.155 0.000 1.381 146 I CB 0.375 38.332 38.000 -0.072 0.000 1.409 146 I HN 0.490 nan 8.210 nan 0.000 0.523 147 L N 7.729 128.708 121.223 -0.406 0.000 2.358 147 L HA 0.423 4.762 4.340 -0.000 0.000 0.268 147 L C -1.507 175.018 176.870 -0.576 0.000 1.032 147 L CA -1.358 53.091 54.840 -0.652 0.000 0.805 147 L CB 1.066 42.354 42.059 -1.286 0.000 1.253 147 L HN 0.427 nan 8.230 nan 0.000 0.452 148 P HA 0.126 nan 4.420 nan 0.000 0.253 148 P C -1.041 176.203 177.300 -0.092 0.000 1.508 148 P CA 0.273 63.260 63.100 -0.188 0.000 0.883 148 P CB -0.388 31.346 31.700 0.056 0.000 1.519 149 F N -2.567 117.245 119.950 -0.230 0.000 2.831 149 F HA 0.621 5.147 4.527 -0.000 0.000 0.318 149 F C -0.409 175.271 175.800 -0.200 0.000 1.174 149 F CA -1.534 56.342 58.000 -0.207 0.000 0.918 149 F CB 0.938 39.781 39.000 -0.262 0.000 1.364 149 F HN -0.454 nan 8.300 nan 0.000 0.475 153 G N 0.673 109.382 108.800 -0.152 0.000 2.545 153 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.222 153 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.222 153 G C 0.819 175.642 174.900 -0.129 0.000 1.126 153 G CA 1.437 46.447 45.100 -0.151 0.000 0.754 153 G HN 0.612 nan 8.290 nan 0.000 0.583 157 G N 1.901 110.765 108.800 0.106 0.000 2.143 157 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.248 157 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.248 157 G C 1.001 175.932 174.900 0.052 0.000 0.991 157 G CA 0.741 45.870 45.100 0.049 0.000 0.689 157 G HN 0.930 nan 8.290 nan 0.000 0.522 158 R N 0.498 121.068 120.500 0.117 0.000 2.193 158 R HA 0.072 4.412 4.340 -0.000 0.000 0.229 158 R C 1.663 178.003 176.300 0.066 0.000 1.110 158 R CA 1.512 57.661 56.100 0.081 0.000 0.988 158 R CB -0.481 29.875 30.300 0.094 0.000 0.871 158 R HN 0.932 nan 8.270 nan 0.000 0.458 162 E N 0.277 120.655 120.200 0.296 0.000 2.259 162 E HA 0.293 4.643 4.350 -0.000 0.000 0.281 162 E C 1.071 177.815 176.600 0.240 0.000 1.027 162 E CA -0.487 56.056 56.400 0.238 0.000 0.838 162 E CB 2.064 31.898 29.700 0.224 0.000 1.066 162 E HN 0.523 nan 8.360 nan 0.000 0.401 163 R N 1.087 121.685 120.500 0.163 0.000 2.148 163 R HA -0.048 4.292 4.340 -0.000 0.000 0.227 163 R C 0.614 176.996 176.300 0.138 0.000 1.103 163 R CA 0.535 56.704 56.100 0.115 0.000 0.983 163 R CB 0.044 30.368 30.300 0.040 0.000 0.874 163 R HN 0.190 nan 8.270 nan 0.000 0.451 164 L N 0.308 121.627 121.223 0.160 0.000 2.296 164 L HA 0.537 4.876 4.340 -0.000 0.000 0.286 164 L C -1.094 175.937 176.870 0.268 0.000 1.023 164 L CA -0.413 54.548 54.840 0.201 0.000 0.812 164 L CB 1.648 43.796 42.059 0.149 0.000 1.223 164 L HN -0.032 nan 8.230 nan 0.000 0.421 165 A N 5.646 128.675 122.820 0.349 0.000 2.486 165 A HA 0.783 5.102 4.320 -0.000 0.000 0.300 165 A C -1.219 176.663 177.584 0.497 0.000 1.048 165 A CA -0.504 51.796 52.037 0.439 0.000 0.696 165 A CB 1.037 20.340 19.000 0.505 0.000 1.278 165 A HN 0.622 nan 8.150 nan 0.000 0.405 166 I N 1.656 122.439 120.570 0.355 0.000 2.359 166 I HA 0.216 4.386 4.170 -0.000 0.000 0.294 166 I C -0.151 175.822 176.117 -0.241 0.000 0.987 166 I CA -0.585 60.791 61.300 0.127 0.000 1.225 166 I CB 1.580 39.658 38.000 0.130 0.000 1.366 166 I HN 0.642 nan 8.210 nan 0.000 0.466 167 D N 9.088 129.120 120.400 -0.614 0.000 2.451 167 D HA 0.012 4.651 4.640 -0.000 0.000 0.254 167 D C -1.536 174.456 176.300 -0.513 0.000 1.204 167 D CA -1.378 51.907 54.000 -1.192 0.000 0.896 167 D CB 1.305 41.732 40.800 -0.622 0.000 1.136 167 D HN 0.282 nan 8.370 nan 0.000 0.499 168 P HA -0.007 nan 4.420 nan 0.000 0.241 168 P C 0.233 177.495 177.300 -0.064 0.000 1.191 168 P CA 0.640 63.669 63.100 -0.118 0.000 0.771 168 P CB 0.491 32.178 31.700 -0.022 0.000 0.929 169 N N -0.670 117.971 118.700 -0.098 0.000 2.499 169 N HA -0.000 4.739 4.740 -0.000 0.000 0.182 169 N C 0.203 175.687 175.510 -0.043 0.000 1.034 169 N CA 0.292 53.317 53.050 -0.042 0.000 0.882 169 N CB 0.163 38.638 38.487 -0.021 0.000 1.125 169 N HN -0.061 nan 8.380 nan 0.000 0.436 170 D N 0.242 120.591 120.400 -0.085 0.000 2.420 170 D HA 0.084 4.724 4.640 -0.000 0.000 0.255 170 D C -0.345 175.886 176.300 -0.116 0.000 1.185 170 D CA -0.457 53.496 54.000 -0.078 0.000 0.904 170 D CB 0.131 40.886 40.800 -0.076 0.000 1.102 170 D HN 0.142 nan 8.370 nan 0.000 0.534 171 N N 3.175 121.845 118.700 -0.050 0.000 2.521 171 N HA -0.075 4.665 4.740 -0.000 0.000 0.188 171 N C 1.042 176.483 175.510 -0.115 0.000 1.146 171 N CA 0.055 53.105 53.050 -0.001 0.000 0.893 171 N CB -0.053 38.526 38.487 0.153 0.000 0.975 171 N HN 0.337 nan 8.380 nan 0.000 0.451 172 R N 0.012 120.253 120.500 -0.432 0.000 2.152 172 R HA 0.154 4.493 4.340 -0.000 0.000 0.232 172 R C 0.342 176.337 176.300 -0.509 0.000 1.117 172 R CA 0.642 56.188 56.100 -0.923 0.000 0.981 172 R CB -0.036 29.806 30.300 -0.763 0.000 0.870 172 R HN 0.284 nan 8.270 nan 0.000 0.451 173 I N 1.730 122.117 120.570 -0.305 0.000 2.331 173 I HA 0.194 4.364 4.170 -0.000 0.000 0.292 173 I C -0.727 175.308 176.117 -0.137 0.000 0.998 173 I CA -0.564 60.602 61.300 -0.223 0.000 1.267 173 I CB 1.221 39.174 38.000 -0.078 0.000 1.386 173 I HN -0.123 nan 8.210 nan 0.000 0.476 174 L N 6.957 128.054 121.223 -0.210 0.000 2.388 174 L HA 0.525 4.864 4.340 -0.000 0.000 0.264 174 L C -1.021 175.872 176.870 0.038 0.000 0.998 174 L CA -0.369 54.467 54.840 -0.007 0.000 0.817 174 L CB 1.758 43.743 42.059 -0.123 0.000 1.338 174 L HN 0.319 nan 8.230 nan 0.000 0.414 175 Y N 2.030 122.536 120.300 0.345 0.000 2.509 175 Y HA 0.759 5.309 4.550 -0.001 0.000 0.341 175 Y C -0.729 175.386 175.900 0.358 0.000 1.038 175 Y CA -0.808 57.496 58.100 0.341 0.000 1.089 175 Y CB 2.247 40.821 38.460 0.189 0.000 1.241 175 Y HN 0.381 nan 8.280 nan 0.000 0.468 176 L N 1.913 123.421 121.223 0.475 0.000 2.441 176 L HA 0.744 5.083 4.340 -0.000 0.000 0.270 176 L C -0.337 176.596 176.870 0.105 0.000 0.973 176 L CA -0.228 54.747 54.840 0.226 0.000 0.842 176 L CB 1.417 43.495 42.059 0.032 0.000 1.239 176 L HN 0.678 nan 8.230 nan 0.000 0.406 177 G N 2.505 111.310 108.800 0.007 0.000 2.403 177 G HA2 0.501 4.460 3.960 -0.000 0.000 0.259 177 G HA3 0.501 4.460 3.960 -0.000 0.000 0.259 177 G C -0.212 174.628 174.900 -0.101 0.000 1.244 177 G CA 0.357 45.397 45.100 -0.100 0.000 0.849 177 G HN 0.792 nan 8.290 nan 0.000 0.532 178 T N -0.163 114.297 114.554 -0.158 0.000 2.930 178 T HA 0.684 5.034 4.350 -0.000 0.000 0.290 178 T C 0.204 174.789 174.700 -0.192 0.000 1.052 178 T CA -0.983 60.989 62.100 -0.213 0.000 1.017 178 T CB 2.054 70.629 68.868 -0.489 0.000 1.137 178 T HN 0.549 nan 8.240 nan 0.000 0.511 179 R N -0.491 119.907 120.500 -0.170 0.000 2.553 179 R HA 0.573 4.913 4.340 -0.000 0.000 0.263 179 R C 0.172 176.379 176.300 -0.155 0.000 1.066 179 R CA -0.424 55.598 56.100 -0.130 0.000 1.135 179 R CB 0.422 30.672 30.300 -0.083 0.000 1.148 179 R HN 0.948 nan 8.270 nan 0.000 0.558 180 C N -0.034 119.200 119.300 -0.109 0.000 4.417 180 C HA -0.118 4.342 4.460 -0.000 0.000 0.284 180 C C 1.207 176.136 174.990 -0.101 0.000 1.379 180 C CA 0.510 59.471 59.018 -0.094 0.000 1.918 180 C CB -2.533 25.158 27.740 -0.083 0.000 1.280 180 C HN 1.291 nan 8.230 nan 0.000 0.783 181 G N -0.031 108.705 108.800 -0.107 0.000 2.143 181 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.249 181 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.249 181 G C 0.257 175.097 174.900 -0.101 0.000 0.981 181 G CA 0.736 45.783 45.100 -0.088 0.000 0.665 181 G HN 0.743 nan 8.290 nan 0.000 0.528 182 N N 0.568 119.156 118.700 -0.187 0.000 2.515 182 N HA 0.396 5.135 4.740 -0.000 0.000 0.185 182 N C 1.751 177.250 175.510 -0.020 0.000 1.109 182 N CA 1.259 54.184 53.050 -0.209 0.000 0.903 182 N CB 0.106 38.137 38.487 -0.761 0.000 0.969 182 N HN 1.413 nan 8.380 nan 0.000 0.450 183 G N 0.868 109.621 108.800 -0.077 0.000 2.539 183 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.256 183 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.256 183 G C -0.757 174.089 174.900 -0.090 0.000 1.233 183 G CA -0.345 44.718 45.100 -0.061 0.000 0.936 183 G HN 0.217 nan 8.290 nan 0.000 0.571 184 L N -0.045 121.057 121.223 -0.202 0.000 2.282 184 L HA 0.829 5.169 4.340 -0.000 0.000 0.288 184 L C -0.659 176.231 176.870 0.034 0.000 1.033 184 L CA -0.706 53.982 54.840 -0.253 0.000 0.807 184 L CB 0.974 42.522 42.059 -0.850 0.000 1.209 184 L HN 0.605 nan 8.230 nan 0.000 0.423 185 W N 5.128 126.425 121.300 -0.005 0.000 2.655 185 W HA 0.768 5.428 4.660 -0.001 0.000 0.358 185 W C -0.293 176.387 176.519 0.268 0.000 1.100 185 W CA -0.593 56.856 57.345 0.172 0.000 1.195 185 W CB 1.296 30.916 29.460 0.268 0.000 1.403 185 W HN 0.443 nan 8.180 nan 0.000 0.589 186 R N 1.127 121.868 120.500 0.401 0.000 2.643 186 R HA 0.607 4.947 4.340 -0.000 0.000 0.269 186 R C -1.523 174.503 176.300 -0.457 0.000 1.037 186 R CA -0.500 55.514 56.100 -0.143 0.000 0.894 186 R CB 2.069 32.066 30.300 -0.506 0.000 1.238 186 R HN 0.412 nan 8.270 nan 0.000 0.459 187 S N 0.346 115.457 115.700 -0.981 0.000 2.521 187 S HA 0.359 4.828 4.470 -0.000 0.000 0.295 187 S C 0.025 174.244 174.600 -0.635 0.000 1.098 187 S CA -0.316 57.251 58.200 -1.054 0.000 0.999 187 S CB 1.608 63.711 63.200 -1.828 0.000 1.034 187 S HN 0.684 nan 8.310 nan 0.000 0.483 188 T N -0.138 114.146 114.554 -0.450 0.000 3.132 188 T HA 0.271 4.621 4.350 -0.000 0.000 0.274 188 T C -0.279 174.219 174.700 -0.336 0.000 1.011 188 T CA -0.217 61.677 62.100 -0.344 0.000 0.899 188 T CB -0.271 68.454 68.868 -0.238 0.000 1.089 188 T HN 0.597 nan 8.240 nan 0.000 0.543 189 D N 0.128 120.330 120.400 -0.330 0.000 2.945 189 D HA 0.120 4.760 4.640 -0.000 0.000 0.366 189 D C -0.473 175.800 176.300 -0.046 0.000 1.352 189 D CA -1.107 52.770 54.000 -0.204 0.000 0.810 189 D CB -1.090 39.657 40.800 -0.089 0.000 1.170 189 D HN 0.267 nan 8.370 nan 0.000 0.461 190 Y N 0.549 120.789 120.300 -0.101 0.000 3.589 190 Y HA -0.098 4.452 4.550 -0.000 0.000 0.218 190 Y C 1.747 177.690 175.900 0.072 0.000 1.234 190 Y CA 0.807 58.915 58.100 0.014 0.000 1.576 190 Y CB -1.916 36.619 38.460 0.125 0.000 1.487 190 Y HN 0.568 nan 8.280 nan 0.000 0.616 191 G N -2.258 106.493 108.800 -0.082 0.000 2.162 191 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.260 191 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.260 191 G C 0.865 175.927 174.900 0.269 0.000 0.976 191 G CA 0.355 45.491 45.100 0.060 0.000 0.655 191 G HN 0.608 nan 8.290 nan 0.000 0.533 192 V N 0.741 120.722 119.914 0.111 0.000 2.283 192 V HA 0.135 4.255 4.120 -0.000 0.000 0.243 192 V C 1.866 178.040 176.094 0.134 0.000 1.039 192 V CA 2.495 64.885 62.300 0.150 0.000 1.016 192 V CB -0.419 31.471 31.823 0.111 0.000 0.650 192 V HN 1.053 nan 8.190 nan 0.000 0.449 193 T N -3.109 111.424 114.554 -0.035 0.000 2.912 193 T HA 0.582 4.932 4.350 -0.000 0.000 0.288 193 T C -1.489 173.088 174.700 -0.205 0.000 1.030 193 T CA -0.607 61.506 62.100 0.021 0.000 1.020 193 T CB 1.975 70.854 68.868 0.018 0.000 1.056 193 T HN 0.230 nan 8.240 nan 0.000 0.480 194 W N 1.203 122.575 121.300 0.119 0.000 2.998 194 W HA 0.632 5.292 4.660 -0.001 0.000 0.335 194 W C -0.244 176.448 176.519 0.289 0.000 1.110 194 W CA -0.451 57.022 57.345 0.214 0.000 1.230 194 W CB 2.397 32.027 29.460 0.284 0.000 1.405 194 W HN 1.055 nan 8.180 nan 0.000 0.493 195 S N 1.450 117.356 115.700 0.342 0.000 2.569 195 S HA 0.597 5.067 4.470 -0.000 0.000 0.280 195 S C -0.947 173.317 174.600 -0.560 0.000 1.111 195 S CA -1.240 56.925 58.200 -0.057 0.000 0.887 195 S CB 2.033 65.177 63.200 -0.094 0.000 1.095 195 S HN 0.434 nan 8.310 nan 0.000 0.476 196 K N 1.146 120.757 120.400 -1.315 0.000 2.401 196 K HA 0.336 4.656 4.320 -0.000 0.000 0.278 196 K C -0.802 175.444 176.600 -0.591 0.000 1.018 196 K CA -0.507 54.877 56.287 -1.505 0.000 0.981 196 K CB 0.425 32.150 32.500 -1.292 0.000 0.933 196 K HN 0.546 nan 8.250 nan 0.000 0.477 197 V N 6.059 125.739 119.914 -0.391 0.000 2.276 197 V HA 0.008 4.128 4.120 -0.000 0.000 0.249 197 V C 0.982 177.026 176.094 -0.084 0.000 1.160 197 V CA -0.133 62.103 62.300 -0.105 0.000 1.042 197 V CB 0.422 32.284 31.823 0.064 0.000 1.224 197 V HN 0.868 nan 8.190 nan 0.000 0.496 198 E N 2.437 122.584 120.200 -0.089 0.000 2.160 198 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 198 E C 2.261 178.861 176.600 -0.000 0.000 0.991 198 E CA 1.571 57.932 56.400 -0.065 0.000 0.810 198 E CB -0.034 29.629 29.700 -0.063 0.000 0.742 198 E HN 0.848 nan 8.360 nan 0.000 0.466 199 S N 0.263 116.010 115.700 0.078 0.000 2.515 199 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 199 S C 0.754 175.431 174.600 0.129 0.000 0.987 199 S CA -0.308 57.976 58.200 0.140 0.000 0.936 199 S CB -0.519 62.828 63.200 0.245 0.000 0.766 199 S HN 0.123 nan 8.310 nan 0.000 0.528 200 F N 4.246 124.091 119.950 -0.175 0.000 2.543 200 F HA 0.318 4.845 4.527 -0.000 0.000 0.375 200 F C -1.653 173.923 175.800 -0.374 0.000 1.075 200 F CA -2.158 55.523 58.000 -0.531 0.000 1.225 200 F CB 0.836 39.361 39.000 -0.792 0.000 1.099 200 F HN 0.000 nan 8.300 nan 0.000 0.561 201 P HA -0.066 nan 4.420 nan 0.000 0.220 201 P C -0.621 176.332 177.300 -0.580 0.000 1.152 201 P CA 0.982 63.692 63.100 -0.650 0.000 0.812 201 P CB 0.233 31.584 31.700 -0.582 0.000 0.792 202 N N -0.775 117.424 118.700 -0.835 0.000 2.577 202 N HA 0.155 4.895 4.740 -0.000 0.000 0.275 202 N C -2.301 173.137 175.510 -0.120 0.000 1.091 202 N CA -2.143 50.650 53.050 -0.428 0.000 0.843 202 N CB 1.252 39.451 38.487 -0.480 0.000 1.295 202 N HN -0.158 nan 8.380 nan 0.000 0.530 203 P HA 0.177 nan 4.420 nan 0.000 0.236 203 P C 0.278 177.548 177.300 -0.051 0.000 1.177 203 P CA 0.635 63.715 63.100 -0.033 0.000 0.773 203 P CB 0.149 31.820 31.700 -0.048 0.000 0.878 204 G N -0.060 108.713 108.800 -0.046 0.000 2.650 204 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 204 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 204 G C -0.251 174.631 174.900 -0.031 0.000 1.205 204 G CA -0.414 44.666 45.100 -0.034 0.000 0.781 204 G HN 0.385 nan 8.290 nan 0.000 0.648 219 I N 3.071 123.619 120.570 -0.037 0.000 2.286 219 I HA 0.056 4.225 4.170 -0.000 0.000 0.245 219 I C 1.647 177.725 176.117 -0.066 0.000 1.104 219 I CA 2.216 63.491 61.300 -0.043 0.000 1.397 219 I CB -1.267 36.712 38.000 -0.034 0.000 1.072 219 I HN 0.949 nan 8.210 nan 0.000 0.417 220 G N 0.716 109.474 108.800 -0.069 0.000 2.499 220 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.232 220 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.232 220 G C -0.264 174.568 174.900 -0.113 0.000 1.251 220 G CA -0.214 44.831 45.100 -0.092 0.000 0.917 220 G HN 0.090 nan 8.290 nan 0.000 0.580 221 V N 1.742 121.565 119.914 -0.151 0.000 2.408 221 V HA 0.402 4.522 4.120 -0.000 0.000 0.267 221 V C 1.699 177.682 176.094 -0.186 0.000 1.047 221 V CA 0.448 62.620 62.300 -0.214 0.000 0.937 221 V CB 0.875 32.506 31.823 -0.320 0.000 0.999 221 V HN 1.576 nan 8.190 nan 0.000 0.472 222 V N 1.916 121.697 119.914 -0.223 0.000 3.263 222 V HA 0.393 4.512 4.120 -0.000 0.000 0.248 222 V C 0.310 176.437 176.094 0.054 0.000 1.145 222 V CA 0.155 62.389 62.300 -0.110 0.000 1.107 222 V CB 0.087 31.855 31.823 -0.092 0.000 0.797 222 V HN 0.843 nan 8.190 nan 0.000 0.467 223 W N -1.579 119.709 121.300 -0.021 0.000 3.146 223 W HA 0.781 5.441 4.660 -0.000 0.000 0.319 223 W C -2.175 174.347 176.519 0.005 0.000 1.258 223 W CA -1.110 56.247 57.345 0.019 0.000 1.189 223 W CB 1.189 30.686 29.460 0.061 0.000 1.412 223 W HN -0.220 nan 8.180 nan 0.000 0.567 224 V N 2.300 122.455 119.914 0.402 0.000 2.577 224 V HA 0.504 4.624 4.120 -0.000 0.000 0.303 224 V C -0.590 175.670 176.094 0.277 0.000 1.042 224 V CA -0.835 61.590 62.300 0.209 0.000 0.872 224 V CB 1.511 33.331 31.823 -0.006 0.000 0.998 224 V HN 0.402 nan 8.190 nan 0.000 0.423 225 V N 5.116 125.206 119.914 0.294 0.000 2.444 225 V HA 0.512 4.632 4.120 -0.000 0.000 0.294 225 V C -0.604 175.589 176.094 0.165 0.000 1.022 225 V CA -0.523 61.941 62.300 0.273 0.000 0.850 225 V CB 1.644 33.654 31.823 0.311 0.000 0.992 225 V HN 0.666 nan 8.190 nan 0.000 0.426 226 F N 2.510 122.606 119.950 0.244 0.000 2.412 226 F HA 0.339 4.866 4.527 -0.000 0.000 0.348 226 F C 0.728 176.654 175.800 0.210 0.000 1.102 226 F CA -0.256 57.862 58.000 0.198 0.000 1.196 226 F CB 0.855 39.949 39.000 0.156 0.000 1.144 226 F HN 0.444 nan 8.300 nan 0.000 0.541 227 D N 3.519 124.148 120.400 0.382 0.000 2.479 227 D HA 0.059 4.698 4.640 -0.000 0.000 0.218 227 D C 1.048 177.483 176.300 0.224 0.000 1.131 227 D CA -0.044 54.132 54.000 0.295 0.000 0.916 227 D CB 0.629 41.612 40.800 0.305 0.000 1.022 227 D HN 0.543 nan 8.370 nan 0.000 0.515 228 K N 1.569 122.085 120.400 0.192 0.000 2.152 228 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 228 K C 1.590 178.245 176.600 0.092 0.000 1.048 228 K CA 1.394 57.758 56.287 0.129 0.000 0.933 228 K CB 0.139 32.700 32.500 0.102 0.000 0.721 228 K HN 0.390 nan 8.250 nan 0.000 0.447 229 S N -0.113 115.640 115.700 0.087 0.000 2.507 229 S HA -0.091 4.378 4.470 -0.000 0.000 0.235 229 S C 1.742 176.376 174.600 0.056 0.000 0.988 229 S CA 1.167 59.404 58.200 0.060 0.000 0.944 229 S CB -0.180 63.050 63.200 0.050 0.000 0.762 229 S HN 0.389 nan 8.310 nan 0.000 0.526 230 S N -0.035 115.710 115.700 0.074 0.000 2.522 230 S HA 0.279 4.749 4.470 -0.000 0.000 0.227 230 S C 0.602 175.227 174.600 0.043 0.000 0.986 230 S CA -0.135 58.100 58.200 0.057 0.000 0.929 230 S CB -0.224 63.016 63.200 0.067 0.000 0.769 230 S HN 0.400 nan 8.310 nan 0.000 0.529 231 S N 0.477 116.205 115.700 0.047 0.000 2.651 231 S HA 0.664 5.134 4.470 -0.000 0.000 0.279 231 S C -0.497 174.120 174.600 0.028 0.000 1.148 231 S CA -0.612 57.607 58.200 0.032 0.000 0.837 231 S CB 1.891 65.111 63.200 0.033 0.000 1.138 231 S HN 0.587 nan 8.310 nan 0.000 0.478 232 T N -0.400 114.166 114.554 0.020 0.000 2.944 232 T HA 0.675 5.025 4.350 -0.000 0.000 0.284 232 T C -3.099 171.611 174.700 0.015 0.000 1.010 232 T CA -2.542 59.569 62.100 0.018 0.000 1.025 232 T CB 0.653 69.529 68.868 0.014 0.000 1.079 232 T HN 0.188 nan 8.240 nan 0.000 0.516 233 P HA 0.270 nan 4.420 nan 0.000 0.264 233 P C 1.139 178.446 177.300 0.013 0.000 1.183 233 P CA 1.326 64.436 63.100 0.016 0.000 0.763 233 P CB 0.139 31.852 31.700 0.022 0.000 0.807 234 G N 1.840 110.645 108.800 0.009 0.000 2.234 234 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.235 234 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.235 234 G C 0.167 175.065 174.900 -0.004 0.000 0.997 234 G CA -0.410 44.693 45.100 0.006 0.000 0.623 234 G HN 0.556 nan 8.290 nan 0.000 0.514 235 N N 1.701 120.400 118.700 -0.003 0.000 2.405 235 N HA 0.559 5.299 4.740 -0.000 0.000 0.299 235 N C -2.945 172.562 175.510 -0.004 0.000 1.075 235 N CA -1.624 51.424 53.050 -0.004 0.000 0.884 235 N CB 1.611 40.100 38.487 0.003 0.000 1.194 235 N HN -0.000 nan 8.380 nan 0.000 0.491 236 P HA -0.001 nan 4.420 nan 0.000 0.262 236 P C -0.314 177.013 177.300 0.046 0.000 1.182 236 P CA 0.378 63.489 63.100 0.018 0.000 0.761 236 P CB 0.157 31.873 31.700 0.026 0.000 0.795 237 T N 4.174 118.774 114.554 0.078 0.000 2.853 237 T HA 0.021 4.371 4.350 -0.000 0.000 0.298 237 T C 1.417 176.199 174.700 0.136 0.000 0.978 237 T CA 0.155 62.334 62.100 0.131 0.000 1.152 237 T CB 0.384 69.391 68.868 0.233 0.000 0.914 237 T HN 0.350 nan 8.240 nan 0.000 0.539 238 K N 1.653 122.094 120.400 0.069 0.000 2.166 238 K HA 0.037 4.357 4.320 -0.000 0.000 0.201 238 K C 0.710 177.276 176.600 -0.056 0.000 1.052 238 K CA 0.676 56.964 56.287 0.002 0.000 0.969 238 K CB 0.348 32.840 32.500 -0.014 0.000 0.761 238 K HN 0.428 nan 8.250 nan 0.000 0.459 239 T N 2.035 116.575 114.554 -0.022 0.000 2.749 239 T HA 0.480 4.830 4.350 -0.000 0.000 0.287 239 T C -0.264 174.373 174.700 -0.106 0.000 0.970 239 T CA -0.347 61.685 62.100 -0.113 0.000 0.980 239 T CB 0.860 69.690 68.868 -0.062 0.000 0.924 239 T HN -0.015 nan 8.240 nan 0.000 0.456 240 I N 3.013 123.407 120.570 -0.293 0.000 2.533 240 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 240 I C -1.223 174.756 176.117 -0.231 0.000 1.056 240 I CA -1.131 60.017 61.300 -0.255 0.000 1.057 240 I CB 1.938 39.721 38.000 -0.361 0.000 1.240 240 I HN 0.533 nan 8.210 nan 0.000 0.423 241 Y N 4.540 124.915 120.300 0.125 0.000 2.360 241 Y HA 0.680 5.230 4.550 -0.001 0.000 0.337 241 Y C -0.129 175.907 175.900 0.227 0.000 1.039 241 Y CA -0.875 57.380 58.100 0.258 0.000 1.109 241 Y CB 2.003 40.666 38.460 0.337 0.000 1.201 241 Y HN 0.161 nan 8.280 nan 0.000 0.458 242 V N 2.125 122.203 119.914 0.274 0.000 2.656 242 V HA 0.746 4.865 4.120 -0.000 0.000 0.307 242 V C 0.042 175.874 176.094 -0.437 0.000 1.051 242 V CA -0.939 61.309 62.300 -0.087 0.000 0.893 242 V CB 2.012 33.737 31.823 -0.164 0.000 0.999 242 V HN 0.929 nan 8.190 nan 0.000 0.426 243 G N 2.486 110.558 108.800 -1.214 0.000 2.379 243 G HA2 0.645 4.605 3.960 -0.000 0.000 0.327 243 G HA3 0.645 4.605 3.960 -0.000 0.000 0.327 243 G C -1.244 173.260 174.900 -0.661 0.000 1.145 243 G CA -0.455 43.802 45.100 -1.405 0.000 0.905 243 G HN 0.559 nan 8.290 nan 0.000 0.466 244 V N 1.274 121.022 119.914 -0.277 0.000 2.656 244 V HA 0.594 4.714 4.120 -0.000 0.000 0.307 244 V C 0.518 176.575 176.094 -0.063 0.000 1.051 244 V CA -0.918 61.316 62.300 -0.110 0.000 0.893 244 V CB 1.887 33.751 31.823 0.068 0.000 0.999 244 V HN 1.068 nan 8.190 nan 0.000 0.426 245 A N 3.095 125.877 122.820 -0.063 0.000 2.899 245 A HA 0.409 4.728 4.320 -0.000 0.000 0.287 245 A C -0.008 177.581 177.584 0.009 0.000 1.715 245 A CA 0.396 52.422 52.037 -0.019 0.000 1.393 245 A CB -0.618 18.362 19.000 -0.033 0.000 1.070 245 A HN 0.747 nan 8.150 nan 0.000 0.587 246 D N 1.407 121.826 120.400 0.033 0.000 2.890 246 D HA 0.210 4.850 4.640 -0.000 0.000 0.233 246 D C 0.575 176.897 176.300 0.037 0.000 1.306 246 D CA -0.448 53.572 54.000 0.033 0.000 0.929 246 D CB 1.203 42.028 40.800 0.042 0.000 1.512 246 D HN 0.315 nan 8.370 nan 0.000 0.568 247 K N 1.666 122.085 120.400 0.031 0.000 2.288 247 K HA -0.001 4.319 4.320 -0.000 0.000 0.201 247 K C 1.173 177.755 176.600 -0.030 0.000 1.048 247 K CA 0.602 56.901 56.287 0.020 0.000 0.956 247 K CB 0.396 32.912 32.500 0.027 0.000 0.746 247 K HN 0.323 nan 8.250 nan 0.000 0.461 248 N N 0.684 119.366 118.700 -0.031 0.000 2.368 248 N HA -0.054 4.686 4.740 -0.000 0.000 0.176 248 N C -0.128 175.329 175.510 -0.089 0.000 1.021 248 N CA 0.677 53.691 53.050 -0.060 0.000 0.888 248 N CB 0.549 39.012 38.487 -0.041 0.000 0.995 248 N HN 0.216 nan 8.380 nan 0.000 0.437 249 E N -0.355 119.808 120.200 -0.062 0.000 2.428 249 E HA 0.132 4.482 4.350 -0.000 0.000 0.307 249 E C -0.540 176.039 176.600 -0.036 0.000 0.902 249 E CA -0.077 56.257 56.400 -0.112 0.000 0.799 249 E CB 0.670 30.320 29.700 -0.084 0.000 1.351 249 E HN 0.070 nan 8.360 nan 0.000 0.392 250 S N 3.858 119.487 115.700 -0.119 0.000 2.619 250 S HA 0.301 4.771 4.470 -0.000 0.000 0.238 250 S C 0.524 175.095 174.600 -0.049 0.000 1.068 250 S CA -0.254 57.949 58.200 0.005 0.000 0.926 250 S CB 0.524 63.754 63.200 0.050 0.000 0.864 250 S HN 0.373 nan 8.310 nan 0.000 0.493 251 I N 2.806 123.232 120.570 -0.241 0.000 2.330 251 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 251 I C -1.239 174.666 176.117 -0.353 0.000 1.001 251 I CA -1.059 60.161 61.300 -0.133 0.000 1.193 251 I CB 0.176 38.231 38.000 0.090 0.000 1.345 251 I HN 0.208 nan 8.210 nan 0.000 0.461 252 Y N 5.074 125.423 120.300 0.081 0.000 2.524 252 Y HA 0.666 5.216 4.550 -0.001 0.000 0.344 252 Y C 0.376 176.433 175.900 0.262 0.000 1.012 252 Y CA -0.830 57.352 58.100 0.136 0.000 1.068 252 Y CB 2.260 40.756 38.460 0.059 0.000 1.249 252 Y HN 0.463 nan 8.280 nan 0.000 0.468 253 R N 1.041 121.752 120.500 0.352 0.000 2.686 253 R HA 0.670 5.010 4.340 -0.000 0.000 0.283 253 R C -1.477 174.811 176.300 -0.020 0.000 0.978 253 R CA -0.545 55.593 56.100 0.064 0.000 0.897 253 R CB 1.960 32.172 30.300 -0.147 0.000 1.192 253 R HN 0.705 nan 8.270 nan 0.000 0.457 254 S N 0.573 116.018 115.700 -0.426 0.000 2.503 254 S HA 0.321 4.791 4.470 -0.000 0.000 0.301 254 S C 0.343 174.663 174.600 -0.467 0.000 1.087 254 S CA -0.430 57.326 58.200 -0.740 0.000 1.042 254 S CB 1.528 63.757 63.200 -1.618 0.000 1.043 254 S HN 0.709 nan 8.310 nan 0.000 0.489 255 T N -0.284 114.072 114.554 -0.330 0.000 3.084 255 T HA 0.226 4.575 4.350 -0.000 0.000 0.270 255 T C -0.050 174.548 174.700 -0.170 0.000 1.008 255 T CA -0.099 61.876 62.100 -0.207 0.000 0.900 255 T CB -0.219 68.573 68.868 -0.126 0.000 1.084 255 T HN 0.606 nan 8.240 nan 0.000 0.538 256 D N 0.743 121.010 120.400 -0.221 0.000 2.772 256 D HA 0.357 4.997 4.640 -0.000 0.000 0.272 256 D C 1.291 177.505 176.300 -0.143 0.000 1.314 256 D CA -0.432 53.476 54.000 -0.154 0.000 0.835 256 D CB -0.324 40.394 40.800 -0.137 0.000 1.080 256 D HN 0.376 nan 8.370 nan 0.000 0.482 257 G N -0.187 108.527 108.800 -0.144 0.000 2.198 257 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.257 257 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.257 257 G C 1.126 176.006 174.900 -0.034 0.000 1.042 257 G CA 0.272 45.343 45.100 -0.047 0.000 0.791 257 G HN 1.443 nan 8.290 nan 0.000 0.502 258 G N -3.051 105.570 108.800 -0.298 0.000 2.141 258 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.242 258 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.242 258 G C 1.258 176.112 174.900 -0.077 0.000 0.982 258 G CA 0.991 45.918 45.100 -0.288 0.000 0.662 258 G HN 1.452 nan 8.290 nan 0.000 0.527 259 V N 0.676 120.493 119.914 -0.161 0.000 2.323 259 V HA 0.162 4.282 4.120 -0.000 0.000 0.244 259 V C 1.800 177.859 176.094 -0.059 0.000 1.041 259 V CA 2.558 64.832 62.300 -0.042 0.000 1.025 259 V CB -0.320 31.473 31.823 -0.051 0.000 0.656 259 V HN 1.126 nan 8.190 nan 0.000 0.451 260 T N -3.357 111.035 114.554 -0.269 0.000 2.906 260 T HA 0.598 4.948 4.350 -0.000 0.000 0.295 260 T C -1.568 172.839 174.700 -0.489 0.000 1.075 260 T CA -0.694 61.297 62.100 -0.181 0.000 1.005 260 T CB 2.182 70.996 68.868 -0.090 0.000 1.136 260 T HN 0.212 nan 8.240 nan 0.000 0.498 261 W N 0.286 121.572 121.300 -0.023 0.000 3.032 261 W HA 0.733 5.393 4.660 -0.001 0.000 0.335 261 W C -0.379 176.122 176.519 -0.029 0.000 1.154 261 W CA -0.813 56.514 57.345 -0.029 0.000 1.204 261 W CB 2.139 31.543 29.460 -0.092 0.000 1.416 261 W HN 0.462 nan 8.180 nan 0.000 0.521 262 K N 1.497 122.036 120.400 0.232 0.000 2.498 262 K HA 0.666 4.986 4.320 -0.000 0.000 0.254 262 K C -0.607 176.077 176.600 0.139 0.000 0.933 262 K CA -0.927 55.449 56.287 0.147 0.000 0.806 262 K CB 2.342 34.875 32.500 0.055 0.000 1.301 262 K HN 0.607 nan 8.250 nan 0.000 0.432 263 A N 2.076 124.905 122.820 0.015 0.000 2.511 263 A HA 0.167 4.487 4.320 -0.000 0.000 0.242 263 A C 0.214 177.695 177.584 -0.171 0.000 1.069 263 A CA -0.206 51.631 52.037 -0.333 0.000 0.763 263 A CB 0.048 18.805 19.000 -0.405 0.000 1.001 263 A HN 0.385 nan 8.150 nan 0.000 0.498 264 V N 5.866 125.673 119.914 -0.178 0.000 2.479 264 V HA 0.151 4.270 4.120 -0.000 0.000 0.281 264 V C -1.930 174.144 176.094 -0.033 0.000 1.031 264 V CA -0.845 61.420 62.300 -0.059 0.000 1.038 264 V CB 0.534 32.299 31.823 -0.097 0.000 0.981 264 V HN 0.770 nan 8.190 nan 0.000 0.478 265 P HA 0.293 nan 4.420 nan 0.000 0.271 265 P C 0.869 178.230 177.300 0.102 0.000 1.216 265 P CA 0.836 63.960 63.100 0.039 0.000 0.771 265 P CB 0.789 32.536 31.700 0.079 0.000 0.864 266 G N 1.263 109.998 108.800 -0.109 0.000 2.141 266 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 266 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 266 G C 0.112 174.461 174.900 -0.919 0.000 0.982 266 G CA 0.069 45.029 45.100 -0.234 0.000 0.662 266 G HN 0.770 nan 8.290 nan 0.000 0.527 267 Q N 0.762 119.907 119.800 -1.091 0.000 2.392 267 Q HA 0.548 4.888 4.340 -0.000 0.000 0.262 267 Q C -2.026 173.183 176.000 -1.319 0.000 1.003 267 Q CA -1.255 53.463 55.803 -1.808 0.000 0.888 267 Q CB 0.742 28.825 28.738 -1.091 0.000 1.260 267 Q HN 0.310 nan 8.270 nan 0.000 0.435 268 P HA 0.123 nan 4.420 nan 0.000 0.272 268 P C -1.195 175.652 177.300 -0.755 0.000 1.230 268 P CA -0.147 62.242 63.100 -1.186 0.000 0.788 268 P CB 0.807 31.481 31.700 -1.709 0.000 0.949 269 K N -0.359 119.730 120.400 -0.519 0.000 2.385 269 K HA 0.605 4.925 4.320 -0.000 0.000 0.248 269 K C 0.488 176.938 176.600 -0.251 0.000 0.955 269 K CA -0.383 55.708 56.287 -0.327 0.000 0.816 269 K CB 1.765 34.115 32.500 -0.249 0.000 1.250 269 K HN 0.701 nan 8.250 nan 0.000 0.434 270 G N 0.523 109.239 108.800 -0.141 0.000 2.253 270 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.209 270 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.209 270 G C -0.289 174.620 174.900 0.015 0.000 0.997 270 G CA -0.380 44.680 45.100 -0.067 0.000 0.640 270 G HN 0.335 nan 8.290 nan 0.000 0.496 271 L N 0.063 121.308 121.223 0.037 0.000 2.277 271 L HA 0.801 5.141 4.340 -0.000 0.000 0.254 271 L C -0.054 177.004 176.870 0.313 0.000 1.044 271 L CA -1.416 53.542 54.840 0.198 0.000 0.842 271 L CB 1.742 43.960 42.059 0.266 0.000 1.422 271 L HN 0.000 nan 8.230 nan 0.000 0.422 272 L N 2.148 123.589 121.223 0.364 0.000 2.307 272 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 272 L C -2.386 174.689 176.870 0.341 0.000 1.023 272 L CA -1.735 53.284 54.840 0.298 0.000 0.810 272 L CB 1.423 43.601 42.059 0.198 0.000 1.231 272 L HN 0.227 nan 8.230 nan 0.000 0.423 273 P HA 0.086 nan 4.420 nan 0.000 0.275 273 P C -0.084 177.407 177.300 0.319 0.000 1.276 273 P CA 0.039 63.145 63.100 0.010 0.000 0.782 273 P CB 0.576 32.319 31.700 0.072 0.000 0.851 274 H N 1.962 121.101 119.070 0.115 0.000 2.384 274 H HA 0.056 4.612 4.556 -0.001 0.000 0.300 274 H C 0.404 175.614 175.328 -0.198 0.000 1.057 274 H CA 0.894 56.953 56.048 0.018 0.000 1.370 274 H CB 0.506 30.280 29.762 0.021 0.000 1.417 274 H HN 0.551 nan 8.280 nan 0.000 0.527 275 H N -1.350 117.799 119.070 0.132 0.000 2.961 275 H HA 0.377 4.932 4.556 -0.000 0.000 0.371 275 H C -0.338 174.551 175.328 -0.731 0.000 1.190 275 H CA -0.448 55.403 56.048 -0.328 0.000 1.138 275 H CB 2.292 31.991 29.762 -0.104 0.000 1.816 275 H HN 0.286 nan 8.280 nan 0.000 0.551 276 G N 0.699 108.728 108.800 -1.285 0.000 2.643 276 G HA2 0.519 4.478 3.960 -0.000 0.000 0.305 276 G HA3 0.519 4.478 3.960 -0.000 0.000 0.305 276 G C -1.324 173.262 174.900 -0.523 0.000 1.387 276 G CA -0.421 44.019 45.100 -1.101 0.000 0.982 276 G HN 0.342 nan 8.290 nan 0.000 0.501 277 V N 3.028 122.828 119.914 -0.191 0.000 2.525 277 V HA 0.350 4.470 4.120 -0.000 0.000 0.299 277 V C -0.656 175.459 176.094 0.034 0.000 1.034 277 V CA -0.799 61.475 62.300 -0.043 0.000 0.863 277 V CB 1.638 33.466 31.823 0.010 0.000 0.999 277 V HN 0.711 nan 8.190 nan 0.000 0.423 278 L N 5.538 126.773 121.223 0.020 0.000 2.295 278 L HA 0.762 5.102 4.340 -0.000 0.000 0.288 278 L C 0.682 177.583 176.870 0.052 0.000 1.079 278 L CA 0.282 55.131 54.840 0.015 0.000 0.830 278 L CB 0.583 42.660 42.059 0.030 0.000 1.200 278 L HN 0.793 nan 8.230 nan 0.000 0.438 279 A N 3.224 126.087 122.820 0.072 0.000 2.346 279 A HA 0.389 4.709 4.320 -0.000 0.000 0.252 279 A C 1.302 178.899 177.584 0.023 0.000 1.089 279 A CA 0.305 52.392 52.037 0.084 0.000 0.797 279 A CB 0.182 19.302 19.000 0.200 0.000 1.047 279 A HN 0.980 nan 8.150 nan 0.000 0.494 280 S N 0.450 116.157 115.700 0.012 0.000 2.469 280 S HA -0.168 4.302 4.470 -0.000 0.000 0.238 280 S C 1.021 175.610 174.600 -0.018 0.000 0.998 280 S CA 1.249 59.446 58.200 -0.005 0.000 0.957 280 S CB -0.542 62.647 63.200 -0.017 0.000 0.764 280 S HN 0.901 nan 8.310 nan 0.000 0.514 281 N N 1.906 120.590 118.700 -0.026 0.000 2.383 281 N HA 0.297 5.036 4.740 -0.000 0.000 0.192 281 N C 0.900 176.359 175.510 -0.084 0.000 1.141 281 N CA 0.623 53.643 53.050 -0.050 0.000 0.851 281 N CB -0.596 37.861 38.487 -0.050 0.000 0.976 281 N HN 0.674 nan 8.380 nan 0.000 0.465 285 Y N 5.452 125.744 120.300 -0.013 0.000 2.319 285 Y HA 0.706 5.256 4.550 -0.000 0.000 0.328 285 Y C 0.364 176.301 175.900 0.062 0.000 1.133 285 Y CA 0.041 58.178 58.100 0.062 0.000 1.265 285 Y CB 1.072 39.557 38.460 0.042 0.000 1.218 285 Y HN 0.407 nan 8.280 nan 0.000 0.508 286 I N 2.610 123.392 120.570 0.354 0.000 2.534 286 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 286 I C -0.682 175.616 176.117 0.301 0.000 1.077 286 I CA -0.907 60.541 61.300 0.247 0.000 1.051 286 I CB 2.319 40.503 38.000 0.306 0.000 1.234 286 I HN 0.544 nan 8.210 nan 0.000 0.425 287 T N 1.575 116.235 114.554 0.176 0.000 2.875 287 T HA 0.678 5.028 4.350 -0.000 0.000 0.284 287 T C -0.867 173.928 174.700 0.159 0.000 0.995 287 T CA -0.569 61.684 62.100 0.254 0.000 1.060 287 T CB 1.058 70.086 68.868 0.267 0.000 0.967 287 T HN 0.337 nan 8.240 nan 0.000 0.476 288 Y N -0.073 120.424 120.300 0.329 0.000 2.512 288 Y HA 0.705 5.255 4.550 -0.000 0.000 0.348 288 Y C 0.598 176.637 175.900 0.233 0.000 0.990 288 Y CA -0.870 57.420 58.100 0.317 0.000 1.033 288 Y CB 2.939 41.583 38.460 0.308 0.000 1.259 288 Y HN 1.209 nan 8.280 nan 0.000 0.461 289 G N 0.805 109.840 108.800 0.391 0.000 2.660 289 G HA2 0.525 4.485 3.960 -0.000 0.000 0.290 289 G HA3 0.525 4.485 3.960 -0.000 0.000 0.290 289 G C -2.057 173.032 174.900 0.316 0.000 1.432 289 G CA -0.872 44.383 45.100 0.259 0.000 0.807 289 G HN 0.519 nan 8.290 nan 0.000 0.485 300 K N -0.917 119.504 120.400 0.035 0.000 2.482 300 K HA 0.832 5.151 4.320 -0.000 0.000 0.257 300 K C -0.411 176.271 176.600 0.135 0.000 0.969 300 K CA -0.449 55.844 56.287 0.009 0.000 0.842 300 K CB 2.317 34.849 32.500 0.054 0.000 1.359 300 K HN 1.185 nan 8.250 nan 0.000 0.441 301 G N 0.593 109.505 108.800 0.187 0.000 2.696 301 G HA2 0.610 4.570 3.960 -0.000 0.000 0.295 301 G HA3 0.610 4.570 3.960 -0.000 0.000 0.295 301 G C -1.415 173.808 174.900 0.539 0.000 1.398 301 G CA -0.369 44.951 45.100 0.367 0.000 0.920 301 G HN 0.321 nan 8.290 nan 0.000 0.492 302 Q N -0.617 119.498 119.800 0.525 0.000 2.416 302 Q HA 0.638 4.978 4.340 -0.000 0.000 0.281 302 Q C -1.410 174.785 176.000 0.325 0.000 1.067 302 Q CA -0.954 55.044 55.803 0.325 0.000 0.809 302 Q CB 3.442 32.360 28.738 0.299 0.000 1.418 302 Q HN 0.403 nan 8.270 nan 0.000 0.411 303 V N 0.910 120.842 119.914 0.029 0.000 2.531 303 V HA 0.546 4.665 4.120 -0.000 0.000 0.301 303 V C -1.367 174.811 176.094 0.140 0.000 1.034 303 V CA -0.731 61.650 62.300 0.135 0.000 0.865 303 V CB 1.185 32.900 31.823 -0.179 0.000 0.995 303 V HN 0.678 nan 8.190 nan 0.000 0.424 304 W N 3.005 124.534 121.300 0.383 0.000 2.882 304 W HA 0.752 5.412 4.660 -0.001 0.000 0.345 304 W C -0.328 176.396 176.519 0.342 0.000 1.125 304 W CA -0.837 56.744 57.345 0.393 0.000 1.167 304 W CB 2.027 31.826 29.460 0.564 0.000 1.431 304 W HN 0.519 nan 8.180 nan 0.000 0.543 305 K N 1.449 122.124 120.400 0.458 0.000 2.397 305 K HA 0.704 5.023 4.320 -0.000 0.000 0.253 305 K C -1.656 174.946 176.600 0.003 0.000 0.932 305 K CA -0.752 55.578 56.287 0.072 0.000 0.795 305 K CB 2.265 34.615 32.500 -0.249 0.000 1.159 305 K HN 0.342 nan 8.250 nan 0.000 0.424 306 F N 3.157 122.821 119.950 -0.475 0.000 2.411 306 F HA 0.332 4.858 4.527 -0.000 0.000 0.352 306 F C -0.498 174.965 175.800 -0.561 0.000 1.123 306 F CA -1.145 56.340 58.000 -0.858 0.000 1.044 306 F CB 1.284 39.386 39.000 -1.497 0.000 1.135 306 F HN 0.679 nan 8.300 nan 0.000 0.461 307 N N 4.042 122.138 118.700 -1.007 0.000 2.402 307 N HA -0.005 4.735 4.740 -0.000 0.000 0.259 307 N C 1.160 175.933 175.510 -1.229 0.000 1.167 307 N CA 0.632 53.177 53.050 -0.841 0.000 0.949 307 N CB 0.982 39.169 38.487 -0.501 0.000 1.212 307 N HN 0.839 nan 8.380 nan 0.000 0.493 308 T N 1.199 115.206 114.554 -0.912 0.000 3.007 308 T HA -0.044 4.306 4.350 -0.000 0.000 0.270 308 T C 1.501 176.029 174.700 -0.287 0.000 1.107 308 T CA 0.944 62.708 62.100 -0.560 0.000 1.118 308 T CB 0.099 68.897 68.868 -0.115 0.000 0.889 308 T HN 0.442 nan 8.240 nan 0.000 0.506 309 R N 0.773 121.097 120.500 -0.293 0.000 2.140 309 R HA 0.102 4.442 4.340 -0.000 0.000 0.213 309 R C 2.682 178.889 176.300 -0.155 0.000 1.059 309 R CA 1.517 57.518 56.100 -0.166 0.000 1.000 309 R CB -0.055 30.163 30.300 -0.138 0.000 0.910 309 R HN 0.656 nan 8.270 nan 0.000 0.455 310 T N -4.840 109.578 114.554 -0.227 0.000 2.955 310 T HA 0.237 4.587 4.350 -0.000 0.000 0.251 310 T C 1.350 175.969 174.700 -0.135 0.000 1.002 310 T CA 0.509 62.518 62.100 -0.151 0.000 0.970 310 T CB 1.198 69.985 68.868 -0.135 0.000 1.091 310 T HN 0.293 nan 8.240 nan 0.000 0.495 311 G N 1.491 110.119 108.800 -0.287 0.000 2.176 311 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.253 311 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.253 311 G C -0.185 174.723 174.900 0.013 0.000 0.979 311 G CA 0.241 45.287 45.100 -0.089 0.000 0.641 311 G HN 0.892 nan 8.290 nan 0.000 0.530 312 E N -0.243 119.869 120.200 -0.147 0.000 2.316 312 E HA 0.408 4.758 4.350 -0.000 0.000 0.275 312 E C -0.410 176.194 176.600 0.007 0.000 1.029 312 E CA -0.918 55.490 56.400 0.014 0.000 0.871 312 E CB 0.374 30.066 29.700 -0.014 0.000 1.022 312 E HN 0.303 nan 8.360 nan 0.000 0.418 313 W N 4.879 126.320 121.300 0.235 0.000 2.433 313 W HA 0.445 5.105 4.660 -0.000 0.000 0.315 313 W C -0.444 176.314 176.519 0.398 0.000 1.087 313 W CA -0.393 57.166 57.345 0.357 0.000 1.205 313 W CB 0.904 30.523 29.460 0.264 0.000 1.288 313 W HN 0.367 nan 8.180 nan 0.000 0.504 314 I N 3.112 124.047 120.570 0.609 0.000 2.447 314 I HA 0.098 4.268 4.170 -0.000 0.000 0.287 314 I C -0.437 175.700 176.117 0.033 0.000 1.023 314 I CA -1.002 60.469 61.300 0.285 0.000 1.083 314 I CB 1.594 39.652 38.000 0.096 0.000 1.245 314 I HN 0.207 nan 8.210 nan 0.000 0.434 315 D N 7.331 127.392 120.400 -0.565 0.000 2.339 315 D HA 0.213 4.852 4.640 -0.000 0.000 0.256 315 D C 0.409 176.414 176.300 -0.492 0.000 1.214 315 D CA 0.023 53.293 54.000 -1.217 0.000 0.877 315 D CB 0.885 40.880 40.800 -1.341 0.000 1.111 315 D HN 0.546 nan 8.370 nan 0.000 0.478 316 I N 0.448 120.816 120.570 -0.336 0.000 3.762 316 I HA 0.233 4.402 4.170 -0.000 0.000 0.333 316 I C -0.033 176.077 176.117 -0.011 0.000 1.566 316 I CA -0.685 60.605 61.300 -0.017 0.000 1.129 316 I CB 0.256 38.364 38.000 0.181 0.000 1.218 316 I HN -0.037 nan 8.210 nan 0.000 0.456 317 T N 3.821 118.195 114.554 -0.300 0.000 2.829 317 T HA 0.096 4.446 4.350 -0.000 0.000 0.293 317 T C -1.413 172.938 174.700 -0.582 0.000 0.970 317 T CA -0.360 61.442 62.100 -0.497 0.000 1.168 317 T CB 0.707 69.374 68.868 -0.334 0.000 0.911 317 T HN 0.177 nan 8.240 nan 0.000 0.535 318 P HA -0.012 nan 4.420 nan 0.000 0.216 318 P C 0.085 176.982 177.300 -0.670 0.000 1.153 318 P CA 1.102 63.379 63.100 -1.373 0.000 0.858 318 P CB 0.121 30.404 31.700 -2.362 0.000 0.789 319 I N -1.119 119.204 120.570 -0.412 0.000 2.418 319 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 319 I C -2.535 173.515 176.117 -0.111 0.000 1.008 319 I CA -3.134 58.065 61.300 -0.167 0.000 1.104 319 I CB 2.103 40.045 38.000 -0.097 0.000 1.264 319 I HN -0.335 nan 8.210 nan 0.000 0.438 320 P HA -0.069 nan 4.420 nan 0.000 0.265 320 P C 0.311 177.613 177.300 0.002 0.000 1.193 320 P CA 0.138 63.215 63.100 -0.038 0.000 0.765 320 P CB 0.382 32.067 31.700 -0.024 0.000 0.823 321 Y N 3.720 123.979 120.300 -0.069 0.000 2.193 321 Y HA -0.330 4.219 4.550 -0.001 0.000 0.285 321 Y C 2.258 178.136 175.900 -0.037 0.000 1.166 321 Y CA 2.580 60.656 58.100 -0.039 0.000 1.181 321 Y CB -0.543 37.913 38.460 -0.008 0.000 0.976 321 Y HN 0.400 nan 8.280 nan 0.000 0.520 322 S N -0.995 114.756 115.700 0.084 0.000 2.440 322 S HA -0.137 4.332 4.470 -0.000 0.000 0.238 322 S C 1.358 175.918 174.600 -0.066 0.000 1.010 322 S CA 0.596 58.803 58.200 0.011 0.000 0.972 322 S CB -0.806 62.427 63.200 0.054 0.000 0.774 322 S HN 0.373 nan 8.310 nan 0.000 0.501 323 S N 1.283 116.936 115.700 -0.078 0.000 2.592 323 S HA 0.365 4.835 4.470 -0.000 0.000 0.271 323 S C 1.162 175.688 174.600 -0.123 0.000 1.326 323 S CA -0.114 58.039 58.200 -0.078 0.000 1.024 323 S CB 1.053 64.221 63.200 -0.054 0.000 0.921 323 S HN 0.558 nan 8.310 nan 0.000 0.527 324 S N 1.887 117.536 115.700 -0.085 0.000 2.575 324 S HA 0.106 4.576 4.470 -0.000 0.000 0.215 324 S C 0.747 175.303 174.600 -0.074 0.000 0.966 324 S CA -0.063 58.083 58.200 -0.090 0.000 0.911 324 S CB -0.102 63.068 63.200 -0.050 0.000 0.780 324 S HN 0.730 nan 8.310 nan 0.000 0.514 325 D N 2.434 122.799 120.400 -0.059 0.000 2.219 325 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 325 D C 0.531 176.694 176.300 -0.227 0.000 0.970 325 D CA 0.593 54.566 54.000 -0.045 0.000 0.851 325 D CB -0.432 40.383 40.800 0.026 0.000 0.943 325 D HN 0.410 nan 8.370 nan 0.000 0.488 326 N N 1.324 119.850 118.700 -0.291 0.000 2.400 326 N HA -0.032 4.708 4.740 -0.000 0.000 0.267 326 N C 0.217 175.426 175.510 -0.501 0.000 1.208 326 N CA 0.144 52.906 53.050 -0.480 0.000 0.951 326 N CB 0.157 38.455 38.487 -0.315 0.000 1.227 326 N HN 0.234 nan 8.380 nan 0.000 0.488 327 R N 2.368 122.414 120.500 -0.757 0.000 2.582 327 R HA 0.217 4.556 4.340 -0.000 0.000 0.453 327 R C -0.947 175.201 176.300 -0.253 0.000 0.969 327 R CA -0.470 55.403 56.100 -0.378 0.000 1.113 327 R CB -0.379 29.858 30.300 -0.106 0.000 1.507 327 R HN 0.185 nan 8.270 nan 0.000 0.587 328 F N -1.949 117.905 119.950 -0.160 0.000 2.668 328 F HA 0.563 5.090 4.527 -0.000 0.000 0.309 328 F C -0.364 175.277 175.800 -0.265 0.000 1.117 328 F CA -2.096 55.789 58.000 -0.193 0.000 0.951 328 F CB 0.234 39.087 39.000 -0.244 0.000 1.323 328 F HN -0.219 nan 8.300 nan 0.000 0.451 329 C N 1.676 120.999 119.300 0.039 0.000 2.597 329 C HA 0.212 4.672 4.460 -0.000 0.000 0.412 329 C C 0.047 174.940 174.990 -0.162 0.000 1.348 329 C CA -0.210 58.795 59.018 -0.022 0.000 1.769 329 C CB -1.384 26.332 27.740 -0.039 0.000 2.641 329 C HN 0.508 nan 8.230 nan 0.000 0.612 330 F N 1.433 121.435 119.950 0.087 0.000 2.404 330 F HA 0.516 5.042 4.527 -0.001 0.000 0.345 330 F C 0.836 176.598 175.800 -0.064 0.000 1.110 330 F CA 0.187 58.218 58.000 0.051 0.000 1.130 330 F CB 0.779 39.813 39.000 0.058 0.000 1.129 330 F HN 0.792 nan 8.300 nan 0.000 0.500 331 A N 2.689 125.590 122.820 0.135 0.000 1.878 331 A HA 0.526 4.845 4.320 -0.000 0.000 0.188 331 A C 1.196 178.991 177.584 0.351 0.000 2.104 331 A CA 0.376 52.470 52.037 0.095 0.000 1.140 331 A CB -0.973 18.075 19.000 0.080 0.000 1.057 331 A HN 0.777 nan 8.150 nan 0.000 0.646 332 G N 0.091 109.056 108.800 0.275 0.000 2.353 332 G HA2 0.426 4.386 3.960 -0.000 0.000 0.239 332 G HA3 0.426 4.386 3.960 -0.000 0.000 0.239 332 G C -0.777 174.201 174.900 0.131 0.000 1.295 332 G CA 0.440 45.657 45.100 0.195 0.000 0.884 332 G HN 0.872 nan 8.290 nan 0.000 0.537 333 L N 2.269 123.476 121.223 -0.027 0.000 2.476 333 L HA 0.776 5.116 4.340 -0.000 0.000 0.269 333 L C -0.214 176.607 176.870 -0.082 0.000 0.965 333 L CA -0.604 54.228 54.840 -0.014 0.000 0.845 333 L CB 1.797 43.876 42.059 0.034 0.000 1.259 333 L HN 0.818 nan 8.230 nan 0.000 0.403 334 A N 4.466 127.260 122.820 -0.043 0.000 2.386 334 A HA 0.912 5.231 4.320 -0.000 0.000 0.311 334 A C -1.550 175.965 177.584 -0.116 0.000 1.068 334 A CA -0.568 51.433 52.037 -0.061 0.000 0.743 334 A CB 1.909 20.899 19.000 -0.016 0.000 1.258 334 A HN 0.540 nan 8.150 nan 0.000 0.429 335 V N 1.978 121.817 119.914 -0.126 0.000 2.588 335 V HA 0.306 4.426 4.120 -0.000 0.000 0.304 335 V C -0.721 175.294 176.094 -0.132 0.000 1.042 335 V CA -0.792 61.407 62.300 -0.169 0.000 0.877 335 V CB 1.925 33.663 31.823 -0.141 0.000 0.996 335 V HN 0.952 nan 8.190 nan 0.000 0.425 336 D N 3.277 123.593 120.400 -0.140 0.000 2.358 336 D HA 0.093 4.733 4.640 -0.000 0.000 0.258 336 D C 1.160 177.388 176.300 -0.120 0.000 1.223 336 D CA 0.026 53.948 54.000 -0.131 0.000 0.886 336 D CB 0.988 41.715 40.800 -0.123 0.000 1.120 336 D HN 0.536 nan 8.370 nan 0.000 0.482 337 R N 2.976 123.391 120.500 -0.143 0.000 2.193 337 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 337 R C 1.196 177.418 176.300 -0.129 0.000 1.110 337 R CA 1.238 57.253 56.100 -0.142 0.000 0.988 337 R CB 0.287 30.461 30.300 -0.211 0.000 0.871 337 R HN 0.580 nan 8.270 nan 0.000 0.458 338 Q N -0.859 118.865 119.800 -0.127 0.000 2.384 338 Q HA 0.068 4.408 4.340 -0.000 0.000 0.207 338 Q C -0.287 175.665 176.000 -0.080 0.000 0.904 338 Q CA 0.081 55.823 55.803 -0.102 0.000 0.933 338 Q CB 0.598 29.277 28.738 -0.098 0.000 1.077 338 Q HN 0.037 nan 8.270 nan 0.000 0.522 339 N N 0.072 118.722 118.700 -0.084 0.000 2.594 339 N HA 0.113 4.853 4.740 -0.000 0.000 0.280 339 N C -2.473 172.991 175.510 -0.077 0.000 1.156 339 N CA -1.723 51.281 53.050 -0.077 0.000 0.831 339 N CB 1.593 40.030 38.487 -0.084 0.000 1.379 339 N HN -0.211 nan 8.380 nan 0.000 0.536 340 P HA 0.013 nan 4.420 nan 0.000 0.226 340 P C 0.139 177.445 177.300 0.010 0.000 1.153 340 P CA 0.783 63.882 63.100 -0.003 0.000 0.777 340 P CB 0.626 32.338 31.700 0.020 0.000 0.794 341 D N -0.334 120.037 120.400 -0.047 0.000 2.355 341 D HA 0.099 4.738 4.640 -0.000 0.000 0.218 341 D C 0.816 177.005 176.300 -0.185 0.000 1.004 341 D CA 0.334 54.283 54.000 -0.085 0.000 0.880 341 D CB -0.121 40.621 40.800 -0.096 0.000 0.911 341 D HN 0.276 nan 8.370 nan 0.000 0.528 342 I N 2.413 122.872 120.570 -0.185 0.000 2.304 342 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 342 I C 0.430 176.388 176.117 -0.264 0.000 1.018 342 I CA -0.398 60.766 61.300 -0.225 0.000 1.260 342 I CB 0.554 38.450 38.000 -0.174 0.000 1.390 342 I HN -0.134 nan 8.210 nan 0.000 0.475 346 T N -0.518 114.171 114.554 0.224 0.000 2.893 346 T HA 0.850 5.200 4.350 -0.000 0.000 0.291 346 T C 0.218 174.993 174.700 0.125 0.000 1.028 346 T CA 0.037 62.219 62.100 0.137 0.000 0.995 346 T CB 1.625 70.501 68.868 0.013 0.000 1.051 346 T HN 2.225 nan 8.240 nan 0.000 0.470 350 A N 1.067 123.597 122.820 -0.484 0.000 1.970 350 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 350 A C 0.722 178.440 177.584 0.223 0.000 1.170 350 A CA 1.442 53.420 52.037 -0.099 0.000 0.645 350 A CB -0.810 18.121 19.000 -0.116 0.000 0.816 350 A HN 1.004 nan 8.150 nan 0.000 0.447 351 W N -4.241 117.140 121.300 0.137 0.000 0.692 351 W HA -0.285 4.375 4.660 -0.000 0.000 0.217 351 W C 0.613 177.242 176.519 0.183 0.000 0.920 351 W CA 1.348 58.775 57.345 0.137 0.000 0.374 351 W CB -1.287 28.251 29.460 0.129 0.000 1.907 351 W HN 0.532 nan 8.180 nan 0.000 1.212 352 W N 3.510 124.991 121.300 0.302 0.000 2.785 352 W HA 0.525 5.185 4.660 -0.000 0.000 0.333 352 W C -1.737 174.921 176.519 0.231 0.000 1.062 352 W CA -1.811 55.655 57.345 0.202 0.000 1.233 352 W CB 1.257 30.840 29.460 0.206 0.000 1.413 352 W HN -0.363 nan 8.180 nan 0.000 0.489 353 P HA 0.039 nan 4.420 nan 0.000 0.231 353 P C -0.415 176.491 177.300 -0.656 0.000 1.168 353 P CA 1.254 63.610 63.100 -1.239 0.000 0.779 353 P CB 0.866 31.644 31.700 -1.537 0.000 0.844 354 D N -1.754 118.337 120.400 -0.514 0.000 2.738 354 D HA 0.145 4.785 4.640 -0.000 0.000 0.308 354 D C -0.799 175.408 176.300 -0.154 0.000 1.311 354 D CA -0.402 53.399 54.000 -0.332 0.000 0.799 354 D CB 0.996 41.466 40.800 -0.550 0.000 1.332 354 D HN -0.328 nan 8.370 nan 0.000 0.441 355 E N 0.033 120.178 120.200 -0.092 0.000 2.391 355 E HA 0.228 4.578 4.350 -0.000 0.000 0.255 355 E C -0.579 176.008 176.600 -0.021 0.000 1.187 355 E CA 0.161 56.521 56.400 -0.067 0.000 0.941 355 E CB 0.254 29.877 29.700 -0.128 0.000 1.010 355 E HN 0.328 nan 8.360 nan 0.000 0.458 356 Y N 0.021 120.173 120.300 -0.247 0.000 2.341 356 Y HA 0.410 4.960 4.550 -0.000 0.000 0.337 356 Y C 0.310 175.983 175.900 -0.378 0.000 1.014 356 Y CA -0.606 57.248 58.100 -0.409 0.000 1.111 356 Y CB 1.142 39.291 38.460 -0.519 0.000 1.194 356 Y HN 0.152 nan 8.280 nan 0.000 0.462 357 I N 4.817 125.207 120.570 -0.301 0.000 2.420 357 I HA 0.244 4.414 4.170 -0.000 0.000 0.282 357 I C -1.191 174.923 176.117 -0.004 0.000 1.019 357 I CA -0.474 60.754 61.300 -0.121 0.000 1.130 357 I CB 0.664 38.569 38.000 -0.157 0.000 1.262 357 I HN 0.427 nan 8.210 nan 0.000 0.454 358 F N 5.339 125.403 119.950 0.191 0.000 2.408 358 F HA 0.533 5.060 4.527 -0.001 0.000 0.344 358 F C 0.570 176.543 175.800 0.289 0.000 1.112 358 F CA -0.423 57.713 58.000 0.225 0.000 1.096 358 F CB 1.252 40.236 39.000 -0.027 0.000 1.129 358 F HN 0.376 nan 8.300 nan 0.000 0.486 359 R N 1.784 122.466 120.500 0.304 0.000 2.599 359 R HA 0.658 4.998 4.340 -0.000 0.000 0.295 359 R C -1.168 175.060 176.300 -0.120 0.000 0.963 359 R CA -0.465 55.585 56.100 -0.084 0.000 0.883 359 R CB 1.818 31.574 30.300 -0.908 0.000 1.171 359 R HN 0.693 nan 8.270 nan 0.000 0.450 360 S N 0.806 116.290 115.700 -0.361 0.000 2.526 360 S HA 0.310 4.779 4.470 -0.000 0.000 0.293 360 S C 0.197 174.513 174.600 -0.474 0.000 1.092 360 S CA -0.507 57.309 58.200 -0.640 0.000 0.980 360 S CB 1.692 64.065 63.200 -1.379 0.000 1.048 360 S HN 0.721 nan 8.310 nan 0.000 0.483 361 T N -0.348 113.970 114.554 -0.394 0.000 3.084 361 T HA 0.263 4.613 4.350 -0.000 0.000 0.270 361 T C -0.162 174.388 174.700 -0.250 0.000 1.008 361 T CA -0.025 61.901 62.100 -0.290 0.000 0.900 361 T CB -0.293 68.433 68.868 -0.237 0.000 1.084 361 T HN 0.619 nan 8.240 nan 0.000 0.538 362 D N 0.252 120.473 120.400 -0.300 0.000 2.804 362 D HA 0.351 4.991 4.640 -0.000 0.000 0.308 362 D C 1.268 177.430 176.300 -0.230 0.000 1.371 362 D CA -0.400 53.461 54.000 -0.231 0.000 0.823 362 D CB -0.265 40.411 40.800 -0.205 0.000 1.126 362 D HN 0.329 nan 8.370 nan 0.000 0.467 363 G N -0.126 108.532 108.800 -0.236 0.000 2.160 363 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.251 363 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.251 363 G C 1.176 175.975 174.900 -0.168 0.000 1.008 363 G CA 0.391 45.427 45.100 -0.106 0.000 0.724 363 G HN 1.483 nan 8.290 nan 0.000 0.514 364 G N -1.797 106.677 108.800 -0.542 0.000 2.157 364 G HA2 0.101 4.061 3.960 -0.000 0.000 0.248 364 G HA3 0.101 4.061 3.960 -0.000 0.000 0.248 364 G C 1.571 176.183 174.900 -0.480 0.000 0.979 364 G CA 1.213 45.852 45.100 -0.768 0.000 0.650 364 G HN 2.044 nan 8.290 nan 0.000 0.529 365 A N -0.557 122.050 122.820 -0.355 0.000 1.902 365 A HA 0.407 4.727 4.320 -0.000 0.000 0.217 365 A C 1.700 179.153 177.584 -0.218 0.000 1.181 365 A CA 2.607 54.517 52.037 -0.213 0.000 0.623 365 A CB -0.354 18.548 19.000 -0.162 0.000 0.818 365 A HN 1.937 nan 8.150 nan 0.000 0.443 366 T N -5.471 108.879 114.554 -0.341 0.000 2.907 366 T HA 0.580 4.929 4.350 -0.000 0.000 0.292 366 T C -1.092 173.357 174.700 -0.419 0.000 1.043 366 T CA -0.735 61.225 62.100 -0.234 0.000 1.003 366 T CB 1.333 70.121 68.868 -0.132 0.000 1.084 366 T HN 0.357 nan 8.240 nan 0.000 0.483 367 W N 0.978 122.232 121.300 -0.076 0.000 2.950 367 W HA 0.635 5.295 4.660 -0.000 0.000 0.340 367 W C -0.525 176.035 176.519 0.069 0.000 1.139 367 W CA -0.929 56.396 57.345 -0.034 0.000 1.188 367 W CB 2.037 31.444 29.460 -0.089 0.000 1.426 367 W HN 0.911 nan 8.180 nan 0.000 0.531 368 K N 1.513 122.127 120.400 0.357 0.000 2.378 368 K HA 0.577 4.896 4.320 -0.000 0.000 0.252 368 K C -0.971 175.887 176.600 0.429 0.000 0.931 368 K CA -0.940 55.530 56.287 0.305 0.000 0.794 368 K CB 2.083 34.637 32.500 0.090 0.000 1.181 368 K HN 0.345 nan 8.250 nan 0.000 0.425 369 N N 2.046 120.913 118.700 0.279 0.000 2.515 369 N HA 0.137 4.876 4.740 -0.000 0.000 0.279 369 N C 0.450 176.058 175.510 0.163 0.000 1.164 369 N CA -0.549 52.426 53.050 -0.126 0.000 0.982 369 N CB 0.947 39.024 38.487 -0.684 0.000 1.170 369 N HN 0.831 nan 8.380 nan 0.000 0.474 370 I N 1.415 121.973 120.570 -0.021 0.000 3.001 370 I HA 0.029 4.199 4.170 -0.000 0.000 0.268 370 I C -0.207 175.930 176.117 0.033 0.000 1.267 370 I CA 0.259 61.434 61.300 -0.208 0.000 1.472 370 I CB -0.037 37.665 38.000 -0.496 0.000 1.089 370 I HN 0.495 nan 8.210 nan 0.000 0.468 371 W N 0.298 121.528 121.300 -0.118 0.000 3.029 371 W HA 0.670 5.330 4.660 -0.001 0.000 0.339 371 W C -1.250 175.140 176.519 -0.216 0.000 1.198 371 W CA -0.832 56.372 57.345 -0.235 0.000 1.148 371 W CB 0.650 29.909 29.460 -0.335 0.000 1.451 371 W HN -0.254 nan 8.180 nan 0.000 0.564 372 E N -0.051 120.214 120.200 0.108 0.000 2.393 372 E HA 0.260 4.610 4.350 -0.000 0.000 0.273 372 E C -1.648 175.046 176.600 0.157 0.000 0.918 372 E CA -0.835 55.613 56.400 0.080 0.000 0.773 372 E CB 2.464 32.250 29.700 0.143 0.000 1.275 372 E HN 0.362 nan 8.360 nan 0.000 0.451 373 W N 0.961 122.452 121.300 0.318 0.000 2.253 373 W HA 0.354 5.014 4.660 -0.000 0.000 0.322 373 W C 0.872 177.481 176.519 0.150 0.000 1.342 373 W CA -0.126 57.367 57.345 0.247 0.000 1.218 373 W CB 0.635 30.263 29.460 0.280 0.000 1.205 373 W HN 0.505 nan 8.180 nan 0.000 0.551 377 P HA 0.275 nan 4.420 nan 0.000 0.305 377 P C -0.886 176.220 177.300 -0.323 0.000 1.600 377 P CA -0.103 62.491 63.100 -0.842 0.000 1.319 377 P CB 0.752 32.038 31.700 -0.690 0.000 1.608 378 E N 1.565 121.690 120.200 -0.125 0.000 2.413 378 E HA 0.139 4.489 4.350 -0.000 0.000 0.263 378 E C 0.030 176.622 176.600 -0.013 0.000 1.015 378 E CA 0.370 56.728 56.400 -0.070 0.000 0.916 378 E CB 0.836 30.520 29.700 -0.027 0.000 0.947 378 E HN 0.186 nan 8.360 nan 0.000 0.440 379 R N 2.082 122.504 120.500 -0.130 0.000 2.740 379 R HA 0.462 4.801 4.340 -0.000 0.000 0.282 379 R C -0.519 175.679 176.300 -0.170 0.000 0.969 379 R CA -0.871 55.125 56.100 -0.174 0.000 0.918 379 R CB 1.377 31.386 30.300 -0.484 0.000 1.175 379 R HN 0.409 nan 8.270 nan 0.000 0.464 380 I N 3.661 124.153 120.570 -0.131 0.000 2.342 380 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 380 I C -0.270 175.611 176.117 -0.395 0.000 1.010 380 I CA -0.320 60.843 61.300 -0.227 0.000 1.308 380 I CB 0.753 38.655 38.000 -0.164 0.000 1.400 380 I HN 0.251 nan 8.210 nan 0.000 0.488 381 L N 6.132 127.066 121.223 -0.480 0.000 2.313 381 L HA 0.391 4.731 4.340 -0.000 0.000 0.283 381 L C 0.255 176.773 176.870 -0.586 0.000 1.013 381 L CA -0.713 53.790 54.840 -0.562 0.000 0.816 381 L CB 1.062 42.662 42.059 -0.766 0.000 1.236 381 L HN 0.591 nan 8.230 nan 0.000 0.419 382 H N 3.471 122.417 119.070 -0.207 0.000 2.524 382 H HA 0.218 4.774 4.556 -0.000 0.000 0.299 382 H C -0.945 174.216 175.328 -0.279 0.000 1.074 382 H CA 0.041 55.931 56.048 -0.263 0.000 1.115 382 H CB -0.184 29.363 29.762 -0.359 0.000 1.522 382 H HN 0.585 nan 8.280 nan 0.000 0.543 383 Y N -1.843 118.316 120.300 -0.234 0.000 2.638 383 Y HA 0.630 5.179 4.550 -0.001 0.000 0.335 383 Y C -1.224 174.575 175.900 -0.169 0.000 1.155 383 Y CA -1.378 56.589 58.100 -0.222 0.000 1.046 383 Y CB 1.388 39.690 38.460 -0.262 0.000 1.303 383 Y HN -0.155 nan 8.280 nan 0.000 0.460 384 E N 1.782 121.957 120.200 -0.042 0.000 2.312 384 E HA 0.652 5.002 4.350 -0.000 0.000 0.267 384 E C -1.513 175.134 176.600 0.077 0.000 0.894 384 E CA -1.022 55.337 56.400 -0.068 0.000 0.773 384 E CB 3.194 32.847 29.700 -0.078 0.000 1.241 384 E HN 0.608 nan 8.360 nan 0.000 0.432 385 I N 1.564 122.152 120.570 0.030 0.000 2.389 385 I HA 0.211 4.380 4.170 -0.000 0.000 0.288 385 I C -0.812 175.286 176.117 -0.031 0.000 0.999 385 I CA -0.735 60.540 61.300 -0.043 0.000 1.129 385 I CB 1.456 39.378 38.000 -0.130 0.000 1.288 385 I HN 0.374 nan 8.210 nan 0.000 0.444 386 D N 7.643 128.033 120.400 -0.018 0.000 2.373 386 D HA 0.316 4.956 4.640 -0.000 0.000 0.227 386 D C 0.306 176.621 176.300 0.026 0.000 1.091 386 D CA -0.418 53.584 54.000 0.004 0.000 0.840 386 D CB 1.155 41.961 40.800 0.009 0.000 1.060 386 D HN 0.554 nan 8.370 nan 0.000 0.502 387 I N 1.217 121.795 120.570 0.012 0.000 3.877 387 I HA 0.163 4.333 4.170 -0.000 0.000 0.332 387 I C 1.319 177.403 176.117 -0.054 0.000 1.525 387 I CA -0.438 60.857 61.300 -0.009 0.000 1.146 387 I CB 0.161 38.148 38.000 -0.021 0.000 1.137 387 I HN 0.161 nan 8.210 nan 0.000 0.424 388 S N 1.700 117.385 115.700 -0.025 0.000 2.419 388 S HA -0.093 4.377 4.470 -0.000 0.000 0.235 388 S C 1.936 176.515 174.600 -0.036 0.000 1.019 388 S CA 0.991 59.176 58.200 -0.026 0.000 0.982 388 S CB -0.247 62.949 63.200 -0.008 0.000 0.789 388 S HN 0.616 nan 8.310 nan 0.000 0.490 389 A N 0.587 123.384 122.820 -0.038 0.000 2.208 389 A HA 0.720 5.040 4.320 -0.000 0.000 0.209 389 A C 1.203 178.734 177.584 -0.088 0.000 1.161 389 A CA 0.507 52.522 52.037 -0.036 0.000 0.782 389 A CB -0.293 18.707 19.000 -0.001 0.000 0.816 389 A HN 1.266 nan 8.150 nan 0.000 0.477 390 A N -0.574 122.126 122.820 -0.199 0.000 3.200 390 A HA 0.576 4.896 4.320 -0.000 0.000 0.274 390 A C -2.285 174.927 177.584 -0.619 0.000 1.220 390 A CA -0.530 51.246 52.037 -0.435 0.000 0.904 390 A CB 0.256 18.890 19.000 -0.611 0.000 1.415 390 A HN 0.040 nan 8.150 nan 0.000 0.630 391 P HA -0.129 nan 4.420 nan 0.000 0.228 391 P C 1.518 178.756 177.300 -0.104 0.000 1.151 391 P CA 0.856 63.861 63.100 -0.159 0.000 0.770 391 P CB -0.140 31.535 31.700 -0.041 0.000 0.786 392 W N -0.962 120.333 121.300 -0.008 0.000 2.468 392 W HA -0.018 4.642 4.660 -0.000 0.000 0.262 392 W C 0.840 177.330 176.519 -0.050 0.000 1.241 392 W CA 0.123 57.444 57.345 -0.040 0.000 1.232 392 W CB -1.619 27.837 29.460 -0.006 0.000 1.124 392 W HN -0.060 nan 8.180 nan 0.000 0.597 393 L N 2.203 123.220 121.223 -0.344 0.000 2.450 393 L HA -0.217 4.123 4.340 -0.000 0.000 0.224 393 L C 1.931 179.073 176.870 0.453 0.000 1.149 393 L CA 1.805 56.642 54.840 -0.006 0.000 0.816 393 L CB -0.641 41.266 42.059 -0.253 0.000 0.932 393 L HN -0.028 nan 8.230 nan 0.000 0.449 394 D N -3.171 117.424 120.400 0.325 0.000 2.339 394 D HA -0.193 4.447 4.640 -0.000 0.000 0.217 394 D C 0.936 177.533 176.300 0.496 0.000 1.050 394 D CA -0.324 53.889 54.000 0.356 0.000 0.856 394 D CB -0.281 40.632 40.800 0.188 0.000 0.922 394 D HN 0.242 nan 8.370 nan 0.000 0.518 395 W N 0.922 122.346 121.300 0.206 0.000 4.233 395 W HA -0.264 4.396 4.660 -0.000 0.000 0.328 395 W C 1.233 177.821 176.519 0.116 0.000 1.212 395 W CA 0.614 58.069 57.345 0.183 0.000 0.752 395 W CB -1.664 27.884 29.460 0.146 0.000 2.277 395 W HN 0.444 nan 8.180 nan 0.000 1.465 396 G N 0.593 109.534 108.800 0.235 0.000 2.233 396 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.270 396 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.270 396 G C 0.105 175.090 174.900 0.142 0.000 1.011 396 G CA 1.060 46.251 45.100 0.152 0.000 0.762 396 G HN 0.328 nan 8.290 nan 0.000 0.511 397 T N 0.078 114.736 114.554 0.173 0.000 2.881 397 T HA 0.466 4.816 4.350 -0.000 0.000 0.291 397 T C -0.281 174.478 174.700 0.098 0.000 0.990 397 T CA -0.651 61.526 62.100 0.130 0.000 0.976 397 T CB 2.010 70.967 68.868 0.148 0.000 0.970 397 T HN 0.311 nan 8.240 nan 0.000 0.438 398 E N 2.834 123.072 120.200 0.063 0.000 2.316 398 E HA 0.228 4.578 4.350 -0.000 0.000 0.275 398 E C 0.008 176.625 176.600 0.028 0.000 1.029 398 E CA -0.623 55.800 56.400 0.038 0.000 0.871 398 E CB 0.716 30.432 29.700 0.026 0.000 1.022 398 E HN 0.225 nan 8.360 nan 0.000 0.418 399 K N 2.238 122.646 120.400 0.012 0.000 2.106 399 K HA 0.198 4.517 4.320 -0.000 0.000 0.246 399 K C -0.246 176.351 176.600 -0.005 0.000 0.987 399 K CA -0.599 55.689 56.287 0.003 0.000 0.904 399 K CB 1.142 33.633 32.500 -0.014 0.000 1.071 399 K HN 0.494 nan 8.250 nan 0.000 0.453 400 Q N 1.757 121.562 119.800 0.009 0.000 2.274 400 Q HA 0.239 4.578 4.340 -0.000 0.000 0.256 400 Q C -0.464 175.535 176.000 -0.002 0.000 0.927 400 Q CA -0.470 55.339 55.803 0.010 0.000 0.939 400 Q CB 0.659 29.418 28.738 0.035 0.000 1.201 400 Q HN 0.424 nan 8.270 nan 0.000 0.426 401 L N 6.319 127.519 121.223 -0.039 0.000 2.529 401 L HA 0.003 4.343 4.340 -0.000 0.000 0.287 401 L C -1.266 175.571 176.870 -0.054 0.000 1.241 401 L CA -0.893 53.892 54.840 -0.092 0.000 0.857 401 L CB 0.205 42.189 42.059 -0.124 0.000 1.113 401 L HN 0.704 nan 8.230 nan 0.000 0.504 402 P HA -0.017 nan 4.420 nan 0.000 0.245 402 P C -0.095 176.991 177.300 -0.357 0.000 1.212 402 P CA 0.475 63.427 63.100 -0.247 0.000 0.774 402 P CB 0.239 31.831 31.700 -0.180 0.000 0.999 403 E N 0.602 120.668 120.200 -0.224 0.000 2.354 403 E HA 0.371 4.721 4.350 -0.000 0.000 0.269 403 E C -0.022 176.471 176.600 -0.178 0.000 1.036 403 E CA -0.123 56.142 56.400 -0.224 0.000 0.876 403 E CB 0.714 30.366 29.700 -0.079 0.000 1.009 403 E HN 0.178 nan 8.360 nan 0.000 0.416 404 I N 2.576 123.035 120.570 -0.185 0.000 2.571 404 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 404 I C -0.715 175.366 176.117 -0.061 0.000 1.115 404 I CA -0.966 60.259 61.300 -0.125 0.000 1.045 404 I CB 1.818 39.719 38.000 -0.165 0.000 1.238 404 I HN 0.314 nan 8.210 nan 0.000 0.424 405 N N 6.617 125.313 118.700 -0.007 0.000 2.430 405 N HA 0.502 5.242 4.740 -0.000 0.000 0.292 405 N C -2.454 173.093 175.510 0.062 0.000 1.051 405 N CA -1.451 51.636 53.050 0.062 0.000 0.917 405 N CB 1.229 39.781 38.487 0.108 0.000 1.164 405 N HN 0.342 nan 8.380 nan 0.000 0.484 406 P HA 0.184 nan 4.420 nan 0.000 0.275 406 P C -0.567 176.795 177.300 0.104 0.000 1.228 406 P CA -0.187 63.005 63.100 0.154 0.000 0.786 406 P CB 1.251 33.048 31.700 0.162 0.000 0.927 407 K N 1.442 121.942 120.400 0.167 0.000 2.168 407 K HA 0.194 4.514 4.320 -0.000 0.000 0.258 407 K C 1.599 178.230 176.600 0.052 0.000 1.010 407 K CA -0.635 55.717 56.287 0.109 0.000 0.929 407 K CB 0.495 33.141 32.500 0.244 0.000 0.998 407 K HN 0.339 nan 8.250 nan 0.000 0.479 408 L N 0.789 121.959 121.223 -0.089 0.000 2.043 408 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 408 L C 1.275 178.227 176.870 0.136 0.000 1.075 408 L CA 1.761 56.507 54.840 -0.156 0.000 0.752 408 L CB -0.371 41.496 42.059 -0.320 0.000 0.891 408 L HN 1.043 nan 8.230 nan 0.000 0.432 409 G N -2.733 106.159 108.800 0.154 0.000 2.368 409 G HA2 0.229 4.189 3.960 -0.000 0.000 0.269 409 G HA3 0.229 4.189 3.960 -0.000 0.000 0.269 409 G C -2.293 172.771 174.900 0.274 0.000 1.291 409 G CA -0.384 44.781 45.100 0.108 0.000 0.903 409 G HN 0.193 nan 8.290 nan 0.000 0.483 413 G N 1.384 110.376 108.800 0.321 0.000 3.042 413 G HA2 0.142 4.102 3.960 -0.000 0.000 0.212 413 G HA3 0.142 4.102 3.960 -0.000 0.000 0.212 413 G C -0.101 175.065 174.900 0.444 0.000 1.166 413 G CA 0.454 45.789 45.100 0.393 0.000 0.767 413 G HN 0.472 nan 8.290 nan 0.000 0.546 414 D N -0.727 119.862 120.400 0.315 0.000 2.927 414 D HA 0.548 5.188 4.640 -0.000 0.000 0.219 414 D C -1.397 175.003 176.300 0.166 0.000 1.248 414 D CA -0.489 53.630 54.000 0.200 0.000 0.861 414 D CB 2.167 43.081 40.800 0.190 0.000 1.677 414 D HN -0.026 nan 8.370 nan 0.000 0.511 415 I N 1.676 122.295 120.570 0.082 0.000 2.722 415 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 415 I C -1.578 174.595 176.117 0.093 0.000 1.161 415 I CA -0.446 60.939 61.300 0.142 0.000 1.032 415 I CB 1.662 39.741 38.000 0.133 0.000 1.244 415 I HN 0.189 nan 8.210 nan 0.000 0.421 416 E N 7.455 127.748 120.200 0.156 0.000 2.256 416 E HA 0.490 4.840 4.350 -0.000 0.000 0.268 416 E C -1.193 175.440 176.600 0.055 0.000 0.877 416 E CA -0.501 55.981 56.400 0.137 0.000 0.757 416 E CB 2.928 32.840 29.700 0.353 0.000 1.183 416 E HN 0.502 nan 8.360 nan 0.000 0.418 417 I N 1.672 122.194 120.570 -0.080 0.000 2.353 417 I HA 0.083 4.253 4.170 -0.000 0.000 0.293 417 I C 0.508 176.341 176.117 -0.473 0.000 0.992 417 I CA -0.770 60.425 61.300 -0.174 0.000 1.268 417 I CB 0.952 38.877 38.000 -0.124 0.000 1.387 417 I HN 0.277 nan 8.210 nan 0.000 0.478 418 D N 9.504 129.543 120.400 -0.601 0.000 2.472 418 D HA -0.004 4.636 4.640 -0.000 0.000 0.248 418 D C -1.459 174.554 176.300 -0.480 0.000 1.174 418 D CA -1.520 51.931 54.000 -0.915 0.000 0.883 418 D CB 1.215 41.788 40.800 -0.378 0.000 1.149 418 D HN 0.263 nan 8.370 nan 0.000 0.488 419 P HA -0.072 nan 4.420 nan 0.000 0.230 419 P C 0.608 177.611 177.300 -0.495 0.000 1.158 419 P CA 0.721 63.590 63.100 -0.385 0.000 0.769 419 P CB -0.046 31.440 31.700 -0.357 0.000 0.807 420 F N -1.034 118.852 119.950 -0.106 0.000 2.653 420 F HA 0.321 4.848 4.527 -0.000 0.000 0.304 420 F C 0.722 176.496 175.800 -0.045 0.000 1.092 420 F CA -0.218 57.756 58.000 -0.043 0.000 1.279 420 F CB 0.170 39.172 39.000 0.003 0.000 1.044 420 F HN -0.134 nan 8.300 nan 0.000 0.564 421 N N -0.562 118.157 118.700 0.032 0.000 2.875 421 N HA 0.062 4.802 4.740 -0.000 0.000 0.253 421 N C 0.157 175.647 175.510 -0.034 0.000 1.296 421 N CA 0.069 53.130 53.050 0.019 0.000 0.816 421 N CB 0.958 39.476 38.487 0.051 0.000 1.504 421 N HN -0.221 nan 8.380 nan 0.000 0.582 422 S N 0.914 116.593 115.700 -0.035 0.000 2.465 422 S HA -0.084 4.386 4.470 -0.000 0.000 0.241 422 S C 0.869 175.462 174.600 -0.011 0.000 1.000 422 S CA 0.801 58.976 58.200 -0.042 0.000 0.964 422 S CB 0.135 63.311 63.200 -0.040 0.000 0.763 422 S HN 0.545 nan 8.310 nan 0.000 0.512 423 D N 0.254 120.659 120.400 0.009 0.000 2.348 423 D HA 0.093 4.733 4.640 -0.000 0.000 0.211 423 D C 1.036 177.361 176.300 0.043 0.000 0.998 423 D CA 0.292 54.313 54.000 0.035 0.000 0.873 423 D CB 0.258 41.082 40.800 0.039 0.000 0.925 423 D HN 0.338 nan 8.370 nan 0.000 0.524 428 V N 0.264 120.322 119.914 0.240 0.000 2.713 428 V HA 0.995 5.114 4.120 -0.000 0.000 0.307 428 V C -0.106 176.117 176.094 0.214 0.000 1.052 428 V CA 0.262 62.642 62.300 0.133 0.000 0.967 428 V CB 1.117 33.023 31.823 0.139 0.000 1.019 428 V HN 1.505 nan 8.190 nan 0.000 0.459 429 T N -0.164 114.426 114.554 0.060 0.000 2.838 429 T HA 0.616 4.965 4.350 -0.000 0.000 0.292 429 T C 1.017 175.658 174.700 -0.099 0.000 1.113 429 T CA -0.068 61.959 62.100 -0.123 0.000 1.008 429 T CB 1.262 69.892 68.868 -0.396 0.000 1.259 429 T HN 1.284 nan 8.240 nan 0.000 0.520 430 G N -0.633 107.885 108.800 -0.469 0.000 2.586 430 G HA2 0.290 4.250 3.960 -0.000 0.000 0.215 430 G HA3 0.290 4.250 3.960 -0.000 0.000 0.215 430 G C 1.035 176.015 174.900 0.133 0.000 1.128 430 G CA 0.661 45.691 45.100 -0.117 0.000 0.774 430 G HN 1.218 nan 8.290 nan 0.000 0.543 431 A N -1.981 120.810 122.820 -0.049 0.000 2.242 431 A HA 0.584 4.903 4.320 -0.000 0.000 0.205 431 A C 0.794 178.474 177.584 0.160 0.000 1.353 431 A CA 1.244 53.428 52.037 0.245 0.000 1.005 431 A CB 0.812 20.152 19.000 0.566 0.000 1.127 431 A HN 0.306 nan 8.150 nan 0.000 0.498 432 T N -1.211 113.276 114.554 -0.113 0.000 2.665 432 T HA 0.568 4.917 4.350 -0.000 0.000 0.303 432 T C -1.989 172.506 174.700 -0.341 0.000 1.334 432 T CA -0.337 61.613 62.100 -0.250 0.000 1.011 432 T CB 0.872 69.441 68.868 -0.499 0.000 1.573 432 T HN 0.153 nan 8.240 nan 0.000 0.492 433 I N 2.346 122.691 120.570 -0.376 0.000 2.406 433 I HA 0.464 4.634 4.170 -0.000 0.000 0.290 433 I C -1.169 174.702 176.117 -0.410 0.000 0.999 433 I CA -0.731 60.367 61.300 -0.337 0.000 1.124 433 I CB 1.375 39.251 38.000 -0.206 0.000 1.289 433 I HN 0.550 nan 8.210 nan 0.000 0.441 434 Y N 3.588 123.604 120.300 -0.473 0.000 2.496 434 Y HA 0.849 5.399 4.550 -0.001 0.000 0.331 434 Y C 0.716 176.355 175.900 -0.434 0.000 1.140 434 Y CA -0.785 57.006 58.100 -0.514 0.000 1.166 434 Y CB 2.152 40.116 38.460 -0.827 0.000 1.249 434 Y HN 0.607 nan 8.280 nan 0.000 0.479 435 G N -0.749 108.043 108.800 -0.014 0.000 2.495 435 G HA2 0.521 4.481 3.960 -0.000 0.000 0.294 435 G HA3 0.521 4.481 3.960 -0.000 0.000 0.294 435 G C -1.662 173.274 174.900 0.059 0.000 1.397 435 G CA -0.430 44.685 45.100 0.024 0.000 0.790 435 G HN 1.041 nan 8.290 nan 0.000 0.486 436 C N -1.752 117.594 119.300 0.077 0.000 3.154 436 C HA 0.887 5.347 4.460 -0.000 0.000 0.312 436 C C -0.371 174.660 174.990 0.068 0.000 1.349 436 C CA -0.708 58.353 59.018 0.072 0.000 1.518 436 C CB 1.943 29.732 27.740 0.083 0.000 1.934 436 C HN 0.661 nan 8.230 nan 0.000 0.462 437 D N 0.563 121.001 120.400 0.062 0.000 2.500 437 D HA 0.096 4.736 4.640 -0.000 0.000 0.217 437 D C 0.312 176.646 176.300 0.057 0.000 1.159 437 D CA 0.419 54.454 54.000 0.058 0.000 0.828 437 D CB 0.159 40.992 40.800 0.056 0.000 1.039 437 D HN 0.804 nan 8.370 nan 0.000 0.512 438 N N 1.180 119.919 118.700 0.064 0.000 2.517 438 N HA -0.011 4.728 4.740 -0.000 0.000 0.285 438 N C 1.206 176.771 175.510 0.092 0.000 1.528 438 N CA -0.333 52.757 53.050 0.066 0.000 0.892 438 N CB 0.153 38.673 38.487 0.056 0.000 1.356 438 N HN -0.058 nan 8.380 nan 0.000 0.495 439 L N 1.827 123.113 121.223 0.105 0.000 2.013 439 L HA -0.151 4.188 4.340 -0.000 0.000 0.212 439 L C 2.291 179.269 176.870 0.181 0.000 1.073 439 L CA 2.632 57.568 54.840 0.159 0.000 0.753 439 L CB -1.190 40.952 42.059 0.139 0.000 0.890 439 L HN 0.498 nan 8.230 nan 0.000 0.432 440 T N -4.735 109.882 114.554 0.106 0.000 3.007 440 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 440 T C 1.553 176.315 174.700 0.103 0.000 1.107 440 T CA 0.981 63.128 62.100 0.079 0.000 1.118 440 T CB -0.683 68.202 68.868 0.029 0.000 0.889 440 T HN 0.325 nan 8.240 nan 0.000 0.506 441 D N 0.391 120.864 120.400 0.120 0.000 2.190 441 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 441 D C 1.363 177.774 176.300 0.185 0.000 0.992 441 D CA 0.774 54.845 54.000 0.118 0.000 0.854 441 D CB -0.503 40.353 40.800 0.095 0.000 0.936 441 D HN 0.515 nan 8.370 nan 0.000 0.462 442 W N 2.224 123.525 121.300 0.001 0.000 2.342 442 W HA -0.148 4.511 4.660 -0.001 0.000 0.297 442 W C 1.111 177.603 176.519 -0.044 0.000 1.213 442 W CA 1.099 58.435 57.345 -0.016 0.000 1.251 442 W CB -0.452 29.006 29.460 -0.004 0.000 1.136 442 W HN -0.043 nan 8.180 nan 0.000 0.526 443 D N -0.236 120.236 120.400 0.120 0.000 2.312 443 D HA -0.112 4.528 4.640 -0.000 0.000 0.211 443 D C 1.614 177.918 176.300 0.007 0.000 0.964 443 D CA 1.030 55.013 54.000 -0.029 0.000 0.877 443 D CB -0.226 40.533 40.800 -0.067 0.000 0.924 443 D HN 0.429 nan 8.370 nan 0.000 0.515 444 R N -0.852 119.679 120.500 0.053 0.000 2.652 444 R HA 0.416 4.756 4.340 -0.000 0.000 0.372 444 R C 0.900 177.232 176.300 0.054 0.000 1.104 444 R CA 0.157 56.280 56.100 0.039 0.000 1.072 444 R CB -0.106 30.212 30.300 0.030 0.000 1.367 444 R HN -0.079 nan 8.270 nan 0.000 0.577 445 G N 0.072 108.918 108.800 0.077 0.000 2.148 445 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.254 445 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.254 445 G C 0.293 175.245 174.900 0.086 0.000 0.981 445 G CA -0.046 45.100 45.100 0.077 0.000 0.670 445 G HN 0.700 nan 8.290 nan 0.000 0.528 446 G N -0.775 108.082 108.800 0.095 0.000 2.522 446 G HA2 0.602 4.562 3.960 -0.000 0.000 0.304 446 G HA3 0.602 4.562 3.960 -0.000 0.000 0.304 446 G C -0.105 174.836 174.900 0.068 0.000 1.210 446 G CA -0.722 44.422 45.100 0.074 0.000 0.960 446 G HN 0.347 nan 8.290 nan 0.000 0.497 447 K N -0.200 120.218 120.400 0.029 0.000 2.172 447 K HA 0.369 4.688 4.320 -0.000 0.000 0.276 447 K C -0.433 176.160 176.600 -0.011 0.000 1.013 447 K CA -0.535 55.742 56.287 -0.016 0.000 0.913 447 K CB 2.171 34.641 32.500 -0.050 0.000 1.055 447 K HN 0.157 nan 8.250 nan 0.000 0.461 448 V N 3.858 123.740 119.914 -0.053 0.000 2.479 448 V HA 0.007 4.127 4.120 -0.000 0.000 0.281 448 V C 0.272 176.375 176.094 0.015 0.000 1.031 448 V CA 0.072 62.364 62.300 -0.013 0.000 1.038 448 V CB 0.146 31.918 31.823 -0.085 0.000 0.981 448 V HN 0.610 nan 8.190 nan 0.000 0.478 449 K N 6.027 126.444 120.400 0.027 0.000 2.257 449 K HA 0.477 4.796 4.320 -0.000 0.000 0.270 449 K C -0.542 176.074 176.600 0.026 0.000 1.098 449 K CA -0.101 56.200 56.287 0.023 0.000 0.943 449 K CB 0.604 33.115 32.500 0.019 0.000 1.316 449 K HN 0.570 nan 8.250 nan 0.000 0.447 450 I N 3.423 124.000 120.570 0.012 0.000 2.428 450 I HA 0.095 4.265 4.170 -0.000 0.000 0.289 450 I C 0.539 176.644 176.117 -0.020 0.000 1.019 450 I CA -0.128 61.159 61.300 -0.021 0.000 1.351 450 I CB 0.914 38.843 38.000 -0.118 0.000 1.412 450 I HN 0.619 nan 8.210 nan 0.000 0.513 451 E N 4.452 124.676 120.200 0.040 0.000 2.433 451 E HA 0.486 4.835 4.350 -0.000 0.000 0.273 451 E C -1.388 175.342 176.600 0.216 0.000 0.950 451 E CA -1.036 55.422 56.400 0.097 0.000 0.796 451 E CB 1.714 31.456 29.700 0.070 0.000 1.330 451 E HN 0.170 nan 8.360 nan 0.000 0.455 452 V N 2.379 122.404 119.914 0.186 0.000 2.458 452 V HA 0.018 4.137 4.120 -0.000 0.000 0.287 452 V C 0.555 176.699 176.094 0.083 0.000 1.009 452 V CA 0.138 62.482 62.300 0.073 0.000 1.091 452 V CB 0.222 32.024 31.823 -0.036 0.000 0.960 452 V HN 0.616 nan 8.190 nan 0.000 0.476 453 K N 3.914 124.360 120.400 0.077 0.000 2.440 453 K HA 0.342 4.662 4.320 -0.000 0.000 0.206 453 K C 1.097 177.924 176.600 0.377 0.000 1.025 453 K CA 0.337 56.740 56.287 0.193 0.000 1.135 453 K CB 1.140 33.710 32.500 0.115 0.000 0.856 453 K HN 0.718 nan 8.250 nan 0.000 0.502 454 A N 0.844 123.784 122.820 0.201 0.000 2.423 454 A HA 0.104 4.424 4.320 -0.000 0.000 0.246 454 A C 0.431 178.155 177.584 0.234 0.000 1.278 454 A CA -0.104 52.031 52.037 0.163 0.000 0.903 454 A CB -0.138 18.814 19.000 -0.080 0.000 0.997 454 A HN 0.026 nan 8.150 nan 0.000 0.510 455 T N 0.414 115.134 114.554 0.278 0.000 2.871 455 T HA 0.397 4.746 4.350 -0.000 0.000 0.296 455 T C 1.484 176.322 174.700 0.230 0.000 0.998 455 T CA 1.368 63.582 62.100 0.190 0.000 1.162 455 T CB 0.670 69.611 68.868 0.122 0.000 0.947 455 T HN 1.305 nan 8.240 nan 0.000 0.536 456 G N 3.216 112.115 108.800 0.165 0.000 2.254 456 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.225 456 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.225 456 G C 0.213 175.215 174.900 0.170 0.000 1.003 456 G CA -0.474 44.744 45.100 0.196 0.000 0.622 456 G HN 0.709 nan 8.290 nan 0.000 0.507 457 I N 1.732 122.281 120.570 -0.035 0.000 2.441 457 I HA 0.421 4.590 4.170 -0.000 0.000 0.287 457 I C -0.293 175.829 176.117 0.009 0.000 1.049 457 I CA -0.020 61.086 61.300 -0.323 0.000 1.381 457 I CB 1.089 38.708 38.000 -0.634 0.000 1.409 457 I HN -0.017 nan 8.210 nan 0.000 0.523 458 E N 6.496 126.789 120.200 0.155 0.000 2.316 458 E HA 0.188 4.537 4.350 -0.000 0.000 0.254 458 E C -0.382 176.323 176.600 0.176 0.000 0.902 458 E CA -0.104 56.386 56.400 0.150 0.000 0.801 458 E CB 1.843 31.634 29.700 0.152 0.000 1.270 458 E HN 0.599 nan 8.360 nan 0.000 0.414 459 E N 1.087 121.361 120.200 0.124 0.000 2.601 459 E HA 0.128 4.478 4.350 -0.000 0.000 0.219 459 E C -0.243 176.416 176.600 0.098 0.000 0.964 459 E CA -0.128 56.352 56.400 0.132 0.000 1.050 459 E CB 0.628 30.403 29.700 0.126 0.000 1.068 459 E HN 0.399 nan 8.360 nan 0.000 0.496 460 C N 1.698 121.037 119.300 0.064 0.000 2.657 460 C HA 0.320 4.780 4.460 -0.000 0.000 0.420 460 C C 0.870 175.881 174.990 0.035 0.000 1.323 460 C CA -0.281 58.761 59.018 0.040 0.000 1.894 460 C CB 0.048 27.794 27.740 0.010 0.000 2.681 460 C HN 0.404 nan 8.230 nan 0.000 0.613 461 A N 3.791 126.631 122.820 0.034 0.000 2.302 461 A HA 0.547 4.866 4.320 -0.000 0.000 0.295 461 A C -0.293 177.283 177.584 -0.014 0.000 1.235 461 A CA -0.181 51.864 52.037 0.013 0.000 0.876 461 A CB 0.143 19.163 19.000 0.032 0.000 1.133 461 A HN 0.751 nan 8.150 nan 0.000 0.533 462 V N 4.758 124.652 119.914 -0.032 0.000 2.394 462 V HA 0.250 4.369 4.120 -0.000 0.000 0.282 462 V C 0.857 176.923 176.094 -0.047 0.000 1.031 462 V CA -0.148 62.131 62.300 -0.035 0.000 0.881 462 V CB 1.214 33.016 31.823 -0.035 0.000 0.982 462 V HN 0.935 nan 8.190 nan 0.000 0.451 463 L N 1.787 122.985 121.223 -0.043 0.000 2.500 463 L HA 0.466 4.806 4.340 -0.000 0.000 0.219 463 L C 0.245 177.094 176.870 -0.034 0.000 1.057 463 L CA 0.569 55.381 54.840 -0.047 0.000 0.854 463 L CB 0.474 42.500 42.059 -0.056 0.000 1.078 463 L HN 0.614 nan 8.230 nan 0.000 0.480 464 D N -0.819 119.567 120.400 -0.024 0.000 2.623 464 D HA 0.607 5.246 4.640 -0.000 0.000 0.241 464 D C -1.543 174.764 176.300 0.011 0.000 1.241 464 D CA -0.229 53.769 54.000 -0.003 0.000 0.788 464 D CB 2.375 43.174 40.800 -0.002 0.000 1.413 464 D HN -0.201 nan 8.370 nan 0.000 0.429 465 L N 0.938 122.176 121.223 0.025 0.000 2.482 465 L HA 0.665 5.005 4.340 -0.000 0.000 0.263 465 L C -0.789 176.111 176.870 0.051 0.000 0.957 465 L CA -1.121 53.730 54.840 0.017 0.000 0.836 465 L CB 2.188 44.236 42.059 -0.018 0.000 1.324 465 L HN 0.304 nan 8.230 nan 0.000 0.406 466 V N -1.006 118.934 119.914 0.044 0.000 2.789 466 V HA 0.725 4.844 4.120 -0.000 0.000 0.311 466 V C -0.508 175.554 176.094 -0.053 0.000 1.073 466 V CA -0.540 61.821 62.300 0.102 0.000 0.921 466 V CB 1.895 33.888 31.823 0.284 0.000 1.009 466 V HN 0.728 nan 8.190 nan 0.000 0.426 467 S N 5.692 121.367 115.700 -0.041 0.000 2.516 467 S HA 0.602 5.072 4.470 -0.000 0.000 0.268 467 S C -2.260 172.228 174.600 -0.188 0.000 1.251 467 S CA -1.261 56.860 58.200 -0.132 0.000 1.153 467 S CB 0.778 63.974 63.200 -0.006 0.000 1.009 467 S HN 0.873 nan 8.310 nan 0.000 0.479 468 P HA 0.285 nan 4.420 nan 0.000 0.274 468 P C -2.239 174.888 177.300 -0.288 0.000 1.231 468 P CA -1.447 61.238 63.100 -0.691 0.000 0.790 468 P CB 0.522 31.801 31.700 -0.702 0.000 0.951 469 P HA 0.005 nan 4.420 nan 0.000 0.229 469 P C 0.031 177.307 177.300 -0.040 0.000 1.160 469 P CA 1.270 64.343 63.100 -0.046 0.000 0.777 469 P CB 0.614 32.331 31.700 0.029 0.000 0.814 470 E N -1.197 118.960 120.200 -0.071 0.000 2.343 470 E HA 0.515 4.865 4.350 -0.000 0.000 0.270 470 E C 0.134 176.694 176.600 -0.067 0.000 0.895 470 E CA -0.675 55.699 56.400 -0.044 0.000 0.767 470 E CB 2.164 31.856 29.700 -0.013 0.000 1.248 470 E HN 0.036 nan 8.360 nan 0.000 0.440 471 G N 1.004 109.778 108.800 -0.043 0.000 2.484 471 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.225 471 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.225 471 G C -0.300 174.573 174.900 -0.043 0.000 1.250 471 G CA -0.492 44.581 45.100 -0.044 0.000 0.926 471 G HN 0.814 nan 8.290 nan 0.000 0.581 472 A N 1.286 124.080 122.820 -0.044 0.000 2.425 472 A HA 0.638 4.958 4.320 -0.000 0.000 0.242 472 A C -0.047 177.503 177.584 -0.057 0.000 1.077 472 A CA 0.372 52.389 52.037 -0.033 0.000 0.781 472 A CB 0.204 19.197 19.000 -0.012 0.000 1.020 472 A HN 0.693 nan 8.150 nan 0.000 0.494 473 P HA 0.007 nan 4.420 nan 0.000 0.222 473 P C -0.102 177.072 177.300 -0.211 0.000 1.147 473 P CA 0.998 64.059 63.100 -0.064 0.000 0.790 473 P CB 0.025 31.721 31.700 -0.008 0.000 0.780 474 L N -1.131 119.975 121.223 -0.195 0.000 2.549 474 L HA 0.404 4.744 4.340 -0.000 0.000 0.259 474 L C -1.537 175.341 176.870 0.012 0.000 0.934 474 L CA -0.945 53.726 54.840 -0.283 0.000 0.865 474 L CB 2.600 44.304 42.059 -0.592 0.000 1.352 474 L HN -0.412 nan 8.230 nan 0.000 0.410 475 V N 2.678 122.613 119.914 0.034 0.000 2.577 475 V HA 0.810 4.929 4.120 -0.000 0.000 0.303 475 V C -0.299 175.910 176.094 0.191 0.000 1.042 475 V CA -0.329 62.080 62.300 0.183 0.000 0.872 475 V CB 1.869 33.788 31.823 0.160 0.000 0.998 475 V HN 0.869 nan 8.190 nan 0.000 0.423 476 S N 2.961 118.832 115.700 0.286 0.000 2.607 476 S HA 0.956 5.425 4.470 -0.000 0.000 0.303 476 S C -0.406 174.285 174.600 0.152 0.000 1.086 476 S CA -0.437 57.884 58.200 0.202 0.000 0.995 476 S CB 2.251 65.633 63.200 0.303 0.000 1.084 476 S HN 1.485 nan 8.310 nan 0.000 0.507 477 A N 1.183 124.031 122.820 0.047 0.000 2.357 477 A HA 0.755 5.075 4.320 -0.000 0.000 0.295 477 A C -0.321 177.227 177.584 -0.059 0.000 1.121 477 A CA -0.646 51.373 52.037 -0.031 0.000 0.742 477 A CB 0.817 19.784 19.000 -0.055 0.000 1.181 477 A HN 1.927 nan 8.150 nan 0.000 0.454 478 V N 0.194 120.042 119.914 -0.110 0.000 3.040 478 V HA 0.974 5.094 4.120 -0.000 0.000 0.312 478 V C 0.386 176.423 176.094 -0.096 0.000 1.115 478 V CA -0.270 61.978 62.300 -0.087 0.000 0.998 478 V CB 1.404 33.192 31.823 -0.058 0.000 1.042 478 V HN 1.489 nan 8.190 nan 0.000 0.433 479 G N 1.247 110.016 108.800 -0.053 0.000 2.380 479 G HA2 0.465 4.425 3.960 -0.000 0.000 0.242 479 G HA3 0.465 4.425 3.960 -0.000 0.000 0.242 479 G C 0.141 175.033 174.900 -0.013 0.000 1.298 479 G CA 0.934 46.019 45.100 -0.025 0.000 0.878 479 G HN 1.358 nan 8.290 nan 0.000 0.542 480 D N 0.121 120.532 120.400 0.019 0.000 2.466 480 D HA -0.174 4.466 4.640 -0.000 0.000 0.184 480 D C 1.441 177.796 176.300 0.091 0.000 1.519 480 D CA 1.494 55.559 54.000 0.109 0.000 1.769 480 D CB -0.745 40.152 40.800 0.161 0.000 1.391 480 D HN 0.344 nan 8.370 nan 0.000 0.515 481 L N 0.349 121.500 121.223 -0.120 0.000 2.808 481 L HA 0.306 4.646 4.340 -0.000 0.000 0.246 481 L C 1.674 178.213 176.870 -0.552 0.000 1.153 481 L CA 0.448 55.058 54.840 -0.383 0.000 0.956 481 L CB 0.803 42.540 42.059 -0.537 0.000 1.270 481 L HN 0.187 nan 8.230 nan 0.000 0.528 482 V N -1.093 118.617 119.914 -0.340 0.000 0.508 482 V HA -0.221 3.899 4.120 -0.000 0.000 0.092 482 V C 0.911 176.738 176.094 -0.445 0.000 2.282 482 V CA 1.401 63.502 62.300 -0.331 0.000 3.591 482 V CB -1.982 29.660 31.823 -0.302 0.000 0.878 482 V HN 0.782 nan 8.190 nan 0.000 0.919 483 G N -1.176 107.070 108.800 -0.924 0.000 2.339 483 G HA2 0.514 4.473 3.960 -0.000 0.000 0.381 483 G HA3 0.514 4.473 3.960 -0.000 0.000 0.381 483 G C -1.408 172.397 174.900 -1.826 0.000 1.400 483 G CA -0.279 44.244 45.100 -0.962 0.000 1.002 483 G HN 1.151 nan 8.290 nan 0.000 0.633 484 F N -1.204 118.253 119.950 -0.822 0.000 2.643 484 F HA 0.681 5.208 4.527 -0.000 0.000 0.314 484 F C 0.336 175.888 175.800 -0.413 0.000 1.096 484 F CA -1.209 56.310 58.000 -0.801 0.000 0.953 484 F CB 2.140 40.695 39.000 -0.742 0.000 1.345 484 F HN 0.375 nan 8.300 nan 0.000 0.468 485 V N 0.760 120.660 119.914 -0.023 0.000 2.498 485 V HA 0.219 4.339 4.120 -0.000 0.000 0.279 485 V C -0.845 175.111 176.094 -0.231 0.000 1.048 485 V CA -0.535 61.770 62.300 0.008 0.000 0.967 485 V CB 0.694 32.574 31.823 0.094 0.000 0.988 485 V HN 0.634 nan 8.190 nan 0.000 0.473 486 H N 2.870 121.953 119.070 0.023 0.000 2.683 486 H HA 0.296 4.852 4.556 -0.001 0.000 0.270 486 H C 0.443 175.742 175.328 -0.047 0.000 1.201 486 H CA -0.524 55.502 56.048 -0.037 0.000 1.277 486 H CB 0.561 30.270 29.762 -0.088 0.000 1.400 486 H HN 0.579 nan 8.280 nan 0.000 0.504 487 D N 0.821 121.242 120.400 0.035 0.000 2.144 487 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 487 D C 0.218 176.525 176.300 0.012 0.000 0.978 487 D CA 1.436 55.445 54.000 0.015 0.000 0.833 487 D CB 0.496 41.300 40.800 0.007 0.000 0.961 487 D HN 0.487 nan 8.370 nan 0.000 0.470 488 D N -0.291 120.119 120.400 0.017 0.000 2.620 488 D HA 0.137 4.776 4.640 -0.000 0.000 0.252 488 D C 1.158 177.455 176.300 -0.006 0.000 1.207 488 D CA -0.404 53.597 54.000 0.002 0.000 0.884 488 D CB 1.573 42.376 40.800 0.005 0.000 1.262 488 D HN -0.136 nan 8.370 nan 0.000 0.552 489 L N 2.444 123.629 121.223 -0.063 0.000 2.353 489 L HA -0.095 4.244 4.340 -0.000 0.000 0.220 489 L C 1.813 178.648 176.870 -0.058 0.000 1.133 489 L CA 0.778 55.532 54.840 -0.144 0.000 0.798 489 L CB -0.106 41.708 42.059 -0.407 0.000 0.922 489 L HN 0.130 nan 8.230 nan 0.000 0.445 490 K N -0.403 119.994 120.400 -0.006 0.000 2.367 490 K HA 0.251 4.571 4.320 -0.000 0.000 0.194 490 K C -0.006 176.612 176.600 0.030 0.000 1.027 490 K CA 0.235 56.542 56.287 0.034 0.000 1.075 490 K CB 0.724 33.249 32.500 0.043 0.000 0.845 490 K HN 0.030 nan 8.250 nan 0.000 0.529 491 V N 0.675 120.602 119.914 0.021 0.000 2.448 491 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 491 V C 0.484 176.586 176.094 0.013 0.000 1.025 491 V CA -1.410 60.901 62.300 0.017 0.000 0.859 491 V CB 1.531 33.361 31.823 0.011 0.000 0.988 491 V HN 0.204 nan 8.190 nan 0.000 0.431 492 G N 5.215 114.018 108.800 0.005 0.000 2.432 492 G HA2 0.434 4.394 3.960 -0.000 0.000 0.239 492 G HA3 0.434 4.394 3.960 -0.000 0.000 0.239 492 G C -2.497 172.370 174.900 -0.056 0.000 1.291 492 G CA -0.614 44.471 45.100 -0.024 0.000 0.863 492 G HN 0.543 nan 8.290 nan 0.000 0.560 493 P HA 0.186 nan 4.420 nan 0.000 0.272 493 P C 0.639 177.936 177.300 -0.005 0.000 1.230 493 P CA -0.508 62.511 63.100 -0.135 0.000 0.788 493 P CB 0.996 32.503 31.700 -0.322 0.000 0.949 494 K N 0.637 121.067 120.400 0.050 0.000 2.262 494 K HA 0.095 4.414 4.320 -0.000 0.000 0.200 494 K C 0.797 177.492 176.600 0.157 0.000 1.049 494 K CA 1.009 57.345 56.287 0.082 0.000 0.979 494 K CB 0.362 32.894 32.500 0.054 0.000 0.773 494 K HN 0.430 nan 8.250 nan 0.000 0.474 498 V N 2.862 122.582 119.914 -0.323 0.000 2.498 498 V HA 0.170 4.290 4.120 -0.000 0.000 0.283 498 V C -2.205 173.708 176.094 -0.301 0.000 1.015 498 V CA -0.945 61.092 62.300 -0.439 0.000 0.867 498 V CB 1.856 33.057 31.823 -1.036 0.000 1.025 498 V HN 0.138 nan 8.190 nan 0.000 0.441 499 P HA -0.101 nan 4.420 nan 0.000 0.222 499 P C 1.513 178.898 177.300 0.142 0.000 1.147 499 P CA 1.338 64.483 63.100 0.075 0.000 0.790 499 P CB 0.254 32.039 31.700 0.142 0.000 0.780 500 S N -3.393 112.297 115.700 -0.018 0.000 2.603 500 S HA -0.004 4.466 4.470 -0.000 0.000 0.220 500 S C 0.600 175.279 174.600 0.132 0.000 0.967 500 S CA -0.059 58.156 58.200 0.026 0.000 0.920 500 S CB -0.884 62.303 63.200 -0.023 0.000 0.773 500 S HN -0.049 nan 8.310 nan 0.000 0.529 501 Y N 2.679 122.965 120.300 -0.023 0.000 2.316 501 Y HA 0.493 5.043 4.550 -0.000 0.000 0.324 501 Y C 1.905 177.800 175.900 -0.008 0.000 1.267 501 Y CA -1.522 56.541 58.100 -0.062 0.000 1.311 501 Y CB 1.219 39.589 38.460 -0.150 0.000 1.267 501 Y HN 0.282 nan 8.280 nan 0.000 0.516 502 S N -0.555 115.223 115.700 0.130 0.000 2.438 502 S HA 0.203 4.672 4.470 -0.000 0.000 0.220 502 S C 0.210 174.830 174.600 0.034 0.000 1.045 502 S CA 0.091 58.343 58.200 0.088 0.000 0.940 502 S CB -0.060 63.160 63.200 0.034 0.000 0.863 502 S HN 0.352 nan 8.310 nan 0.000 0.539 503 S N 0.820 116.496 115.700 -0.040 0.000 2.532 503 S HA 0.716 5.185 4.470 -0.000 0.000 0.299 503 S C -0.208 174.304 174.600 -0.148 0.000 1.105 503 S CA -0.701 57.451 58.200 -0.080 0.000 1.018 503 S CB 1.622 64.782 63.200 -0.066 0.000 1.021 503 S HN 0.685 nan 8.310 nan 0.000 0.483 504 G N 0.979 109.687 108.800 -0.153 0.000 2.333 504 G HA2 0.422 4.382 3.960 -0.000 0.000 0.290 504 G HA3 0.422 4.382 3.960 -0.000 0.000 0.290 504 G C 0.803 175.611 174.900 -0.153 0.000 1.150 504 G CA -0.368 44.620 45.100 -0.187 0.000 0.895 504 G HN 0.740 nan 8.290 nan 0.000 0.444 505 T N -0.364 114.088 114.554 -0.169 0.000 2.990 505 T HA 0.461 4.811 4.350 -0.000 0.000 0.250 505 T C 0.939 175.585 174.700 -0.091 0.000 1.041 505 T CA 0.453 62.485 62.100 -0.113 0.000 1.010 505 T CB 0.789 69.598 68.868 -0.098 0.000 1.003 505 T HN 0.995 nan 8.240 nan 0.000 0.499 506 G N 0.502 109.227 108.800 -0.126 0.000 2.759 506 G HA2 0.652 4.612 3.960 -0.000 0.000 0.297 506 G HA3 0.652 4.612 3.960 -0.000 0.000 0.297 506 G C -2.103 172.724 174.900 -0.122 0.000 1.434 506 G CA -0.759 44.287 45.100 -0.090 0.000 0.980 506 G HN 0.426 nan 8.290 nan 0.000 0.531 507 I N 0.792 121.333 120.570 -0.049 0.000 2.752 507 I HA 0.671 4.841 4.170 -0.000 0.000 0.295 507 I C -2.021 174.128 176.117 0.054 0.000 1.219 507 I CA -0.727 60.556 61.300 -0.027 0.000 1.030 507 I CB 2.610 40.602 38.000 -0.013 0.000 1.259 507 I HN 0.532 nan 8.210 nan 0.000 0.423 508 D N 3.981 124.428 120.400 0.078 0.000 2.602 508 D HA 0.459 5.099 4.640 -0.000 0.000 0.236 508 D C -1.834 174.557 176.300 0.153 0.000 1.209 508 D CA -0.011 54.049 54.000 0.101 0.000 0.831 508 D CB 1.953 42.791 40.800 0.063 0.000 1.478 508 D HN 0.351 nan 8.370 nan 0.000 0.438 509 Y N -0.543 119.815 120.300 0.097 0.000 2.570 509 Y HA 0.840 5.390 4.550 -0.000 0.000 0.345 509 Y C -0.725 175.275 175.900 0.167 0.000 1.014 509 Y CA -1.595 56.566 58.100 0.101 0.000 1.063 509 Y CB 1.032 39.535 38.460 0.072 0.000 1.272 509 Y HN 0.339 nan 8.280 nan 0.000 0.477 510 A N 2.073 125.076 122.820 0.305 0.000 2.404 510 A HA 0.275 4.594 4.320 -0.000 0.000 0.273 510 A C 1.040 178.761 177.584 0.227 0.000 1.144 510 A CA -0.169 51.999 52.037 0.218 0.000 0.806 510 A CB 0.258 19.448 19.000 0.317 0.000 1.080 510 A HN 0.953 nan 8.150 nan 0.000 0.509 511 E N 2.457 122.690 120.200 0.056 0.000 2.085 511 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 511 E C 1.166 177.890 176.600 0.206 0.000 0.994 511 E CA 1.848 58.352 56.400 0.174 0.000 0.801 511 E CB -0.176 29.554 29.700 0.052 0.000 0.743 511 E HN 0.761 nan 8.360 nan 0.000 0.453 512 L N -0.721 120.577 121.223 0.126 0.000 2.585 512 L HA 0.194 4.534 4.340 -0.000 0.000 0.226 512 L C 0.007 176.936 176.870 0.097 0.000 1.113 512 L CA -0.160 54.736 54.840 0.092 0.000 0.876 512 L CB 0.881 42.970 42.059 0.049 0.000 1.072 512 L HN -0.114 nan 8.230 nan 0.000 0.468 513 V N 0.917 120.915 119.914 0.140 0.000 2.405 513 V HA 0.194 4.314 4.120 -0.000 0.000 0.253 513 V C -1.675 174.558 176.094 0.233 0.000 0.963 513 V CA -0.617 61.772 62.300 0.149 0.000 1.003 513 V CB 0.825 32.715 31.823 0.112 0.000 1.251 513 V HN 0.004 nan 8.190 nan 0.000 0.520 514 P HA -0.068 nan 4.420 nan 0.000 0.237 514 P C 1.164 178.548 177.300 0.141 0.000 1.178 514 P CA 0.838 64.074 63.100 0.227 0.000 0.766 514 P CB 0.150 31.903 31.700 0.088 0.000 0.876 515 N N -0.555 118.226 118.700 0.135 0.000 2.396 515 N HA -0.122 4.617 4.740 -0.000 0.000 0.180 515 N C 0.700 176.305 175.510 0.157 0.000 1.028 515 N CA 0.250 53.363 53.050 0.105 0.000 0.893 515 N CB -0.764 37.786 38.487 0.104 0.000 0.967 515 N HN 0.155 nan 8.380 nan 0.000 0.440 519 L N 3.222 124.214 121.223 -0.385 0.000 2.356 519 L HA 0.850 5.189 4.340 -0.000 0.000 0.277 519 L C -0.401 176.081 176.870 -0.647 0.000 0.996 519 L CA -0.487 54.008 54.840 -0.575 0.000 0.822 519 L CB 1.961 43.387 42.059 -1.055 0.000 1.256 519 L HN 1.349 nan 8.230 nan 0.000 0.413 520 V N 2.553 122.108 119.914 -0.598 0.000 2.732 520 V HA 1.083 5.202 4.120 -0.000 0.000 0.310 520 V C -0.140 175.622 176.094 -0.554 0.000 1.053 520 V CA 0.148 62.003 62.300 -0.742 0.000 0.957 520 V CB 0.996 32.300 31.823 -0.864 0.000 1.018 520 V HN 1.219 nan 8.190 nan 0.000 0.452 521 A N 3.067 125.515 122.820 -0.619 0.000 2.599 521 A HA 0.795 5.114 4.320 -0.000 0.000 0.290 521 A C -0.870 176.437 177.584 -0.462 0.000 1.101 521 A CA -1.096 50.570 52.037 -0.618 0.000 0.674 521 A CB 1.609 19.943 19.000 -1.109 0.000 1.277 521 A HN 0.891 nan 8.150 nan 0.000 0.419 522 K N -0.282 119.915 120.400 -0.338 0.000 2.123 522 K HA 0.809 5.129 4.320 -0.000 0.000 0.248 522 K C -0.159 176.323 176.600 -0.196 0.000 0.969 522 K CA -0.137 56.020 56.287 -0.215 0.000 0.882 522 K CB 2.124 34.550 32.500 -0.123 0.000 1.080 522 K HN 1.057 nan 8.250 nan 0.000 0.441 529 K N 3.502 123.991 120.400 0.149 0.000 2.339 529 K HA 0.424 4.744 4.320 -0.000 0.000 0.286 529 K C 0.505 177.204 176.600 0.165 0.000 1.050 529 K CA 0.173 56.553 56.287 0.155 0.000 0.956 529 K CB 0.656 33.256 32.500 0.166 0.000 0.990 529 K HN 0.555 nan 8.250 nan 0.000 0.475 530 K N 2.052 122.498 120.400 0.078 0.000 2.469 530 K HA 0.209 4.529 4.320 -0.000 0.000 0.201 530 K C 0.033 176.285 176.600 -0.580 0.000 1.028 530 K CA 0.021 56.178 56.287 -0.218 0.000 1.170 530 K CB 0.027 32.459 32.500 -0.113 0.000 0.874 530 K HN 0.485 nan 8.250 nan 0.000 0.507 531 I N 0.026 120.267 120.570 -0.549 0.000 2.509 531 I HA 0.206 4.376 4.170 -0.000 0.000 0.293 531 I C -1.114 174.664 176.117 -0.566 0.000 1.020 531 I CA -0.446 60.339 61.300 -0.858 0.000 1.088 531 I CB 1.960 39.245 38.000 -1.192 0.000 1.267 531 I HN -0.129 nan 8.210 nan 0.000 0.430 532 S N 5.705 121.001 115.700 -0.673 0.000 2.568 532 S HA 0.679 5.148 4.470 -0.000 0.000 0.293 532 S C -1.080 173.057 174.600 -0.773 0.000 1.089 532 S CA -0.392 57.464 58.200 -0.573 0.000 0.945 532 S CB 1.519 64.541 63.200 -0.297 0.000 1.077 532 S HN 0.408 nan 8.310 nan 0.000 0.485 533 F N 0.910 120.578 119.950 -0.471 0.000 2.538 533 F HA 0.703 5.230 4.527 -0.000 0.000 0.325 533 F C 0.585 175.917 175.800 -0.780 0.000 1.066 533 F CA -0.678 56.918 58.000 -0.674 0.000 0.946 533 F CB 1.976 40.426 39.000 -0.917 0.000 1.199 533 F HN 0.467 nan 8.300 nan 0.000 0.473 534 S N 0.735 115.974 115.700 -0.768 0.000 2.538 534 S HA 0.463 4.933 4.470 -0.000 0.000 0.288 534 S C -0.746 173.558 174.600 -0.493 0.000 1.108 534 S CA -0.430 57.234 58.200 -0.894 0.000 0.971 534 S CB 0.651 62.868 63.200 -1.639 0.000 1.041 534 S HN 0.526 nan 8.310 nan 0.000 0.483 535 Y N 1.697 121.974 120.300 -0.038 0.000 2.444 535 Y HA 0.250 4.800 4.550 -0.000 0.000 0.249 535 Y C 0.935 176.831 175.900 -0.007 0.000 1.134 535 Y CA -0.448 57.709 58.100 0.095 0.000 1.261 535 Y CB 0.287 38.840 38.460 0.154 0.000 1.143 535 Y HN 0.681 nan 8.280 nan 0.000 0.523 536 D N -1.675 118.723 120.400 -0.003 0.000 2.788 536 D HA 0.272 4.912 4.640 -0.000 0.000 0.289 536 D C 1.366 177.600 176.300 -0.111 0.000 1.340 536 D CA -0.096 53.885 54.000 -0.033 0.000 0.831 536 D CB -0.113 40.672 40.800 -0.024 0.000 1.103 536 D HN 0.181 nan 8.370 nan 0.000 0.476 537 G N -0.126 108.592 108.800 -0.136 0.000 2.249 537 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.273 537 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.273 537 G C 1.152 175.930 174.900 -0.202 0.000 1.036 537 G CA 0.440 45.456 45.100 -0.140 0.000 0.824 537 G HN 1.494 nan 8.290 nan 0.000 0.504 538 G N -1.469 107.064 108.800 -0.445 0.000 2.176 538 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.232 538 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.232 538 G C 1.298 176.044 174.900 -0.256 0.000 0.986 538 G CA 1.003 45.806 45.100 -0.496 0.000 0.643 538 G HN 0.893 nan 8.290 nan 0.000 0.522 539 R N 0.021 120.394 120.500 -0.211 0.000 2.073 539 R HA 0.026 4.366 4.340 -0.000 0.000 0.234 539 R C 0.426 176.682 176.300 -0.073 0.000 1.134 539 R CA 1.158 57.218 56.100 -0.067 0.000 0.952 539 R CB -0.226 30.046 30.300 -0.047 0.000 0.850 539 R HN 0.441 nan 8.270 nan 0.000 0.433 540 N N -0.523 118.031 118.700 -0.244 0.000 2.238 540 N HA 0.202 4.942 4.740 -0.000 0.000 0.302 540 N C -1.440 173.846 175.510 -0.373 0.000 1.072 540 N CA -0.378 52.586 53.050 -0.144 0.000 0.792 540 N CB 1.812 40.279 38.487 -0.033 0.000 1.425 540 N HN -0.033 nan 8.380 nan 0.000 0.478 541 W N 1.672 122.954 121.300 -0.031 0.000 2.844 541 W HA 0.539 5.198 4.660 -0.001 0.000 0.340 541 W C -0.372 176.150 176.519 0.006 0.000 1.093 541 W CA -0.812 56.470 57.345 -0.106 0.000 1.212 541 W CB 1.101 30.436 29.460 -0.210 0.000 1.422 541 W HN 0.366 nan 8.180 nan 0.000 0.515 542 F N 0.198 120.231 119.950 0.138 0.000 2.588 542 F HA 0.768 5.295 4.527 -0.001 0.000 0.314 542 F C -0.806 175.070 175.800 0.126 0.000 1.069 542 F CA -1.552 56.510 58.000 0.104 0.000 0.931 542 F CB 1.350 40.401 39.000 0.085 0.000 1.260 542 F HN 0.228 nan 8.300 nan 0.000 0.465 543 Q N 3.933 123.867 119.800 0.224 0.000 2.256 543 Q HA 0.526 4.866 4.340 -0.000 0.000 0.257 543 Q C -2.449 173.774 176.000 0.372 0.000 0.936 543 Q CA -1.871 54.018 55.803 0.144 0.000 0.903 543 Q CB 1.354 30.162 28.738 0.116 0.000 1.263 543 Q HN 0.497 nan 8.270 nan 0.000 0.440 544 P HA 0.170 nan 4.420 nan 0.000 0.277 544 P C -2.111 175.395 177.300 0.343 0.000 1.271 544 P CA -1.294 62.092 63.100 0.476 0.000 0.795 544 P CB 0.527 32.581 31.700 0.590 0.000 1.101 545 P HA -0.000 nan 4.420 nan 0.000 0.225 545 P C -0.030 177.416 177.300 0.243 0.000 1.156 545 P CA 1.184 64.421 63.100 0.228 0.000 0.787 545 P CB 0.397 32.206 31.700 0.182 0.000 0.802 546 N N 0.030 118.935 118.700 0.342 0.000 2.262 546 N HA 0.258 4.998 4.740 -0.000 0.000 0.295 546 N C -0.456 175.355 175.510 0.501 0.000 1.161 546 N CA -0.500 52.774 53.050 0.373 0.000 0.767 546 N CB 2.323 41.048 38.487 0.397 0.000 1.499 546 N HN -0.004 nan 8.380 nan 0.000 0.476 547 E N 0.321 120.652 120.200 0.218 0.000 2.227 547 E HA 0.610 4.959 4.350 -0.000 0.000 0.268 547 E C -0.339 175.815 176.600 -0.743 0.000 0.990 547 E CA -0.969 55.405 56.400 -0.044 0.000 0.856 547 E CB 1.539 31.219 29.700 -0.033 0.000 1.159 547 E HN 0.609 nan 8.360 nan 0.000 0.401 548 A N 2.505 124.403 122.820 -1.536 0.000 2.466 548 A HA 0.213 4.533 4.320 -0.000 0.000 0.238 548 A C -2.192 174.890 177.584 -0.837 0.000 1.074 548 A CA -1.014 50.222 52.037 -1.334 0.000 0.774 548 A CB -0.500 17.614 19.000 -1.478 0.000 1.015 548 A HN 0.300 nan 8.150 nan 0.000 0.498 549 P HA 0.117 nan 4.420 nan 0.000 0.261 549 P C -0.716 176.288 177.300 -0.493 0.000 1.183 549 P CA 0.644 63.513 63.100 -0.386 0.000 0.761 549 P CB 0.061 31.606 31.700 -0.257 0.000 0.785 550 N N -0.424 118.024 118.700 -0.421 0.000 2.823 550 N HA 0.375 5.115 4.740 -0.000 0.000 0.251 550 N C 0.108 175.462 175.510 -0.260 0.000 1.392 550 N CA -0.739 52.060 53.050 -0.417 0.000 0.864 550 N CB 0.661 38.781 38.487 -0.612 0.000 1.481 550 N HN 0.066 nan 8.380 nan 0.000 0.508 551 S N -0.796 114.777 115.700 -0.212 0.000 2.506 551 S HA 0.078 4.548 4.470 -0.000 0.000 0.230 551 S C 1.049 175.575 174.600 -0.124 0.000 1.066 551 S CA 0.778 58.890 58.200 -0.146 0.000 0.940 551 S CB -0.347 62.781 63.200 -0.121 0.000 0.818 551 S HN 1.109 nan 8.310 nan 0.000 0.518 552 V N -1.718 118.119 119.914 -0.129 0.000 3.111 552 V HA 0.719 4.838 4.120 -0.000 0.000 0.343 552 V C 1.060 177.105 176.094 -0.082 0.000 1.417 552 V CA -0.361 61.882 62.300 -0.096 0.000 1.142 552 V CB -0.671 31.103 31.823 -0.083 0.000 1.114 552 V HN 0.731 nan 8.190 nan 0.000 0.520 553 G N 1.471 110.217 108.800 -0.090 0.000 2.634 553 G HA2 0.130 4.090 3.960 -0.000 0.000 0.309 553 G HA3 0.130 4.090 3.960 -0.000 0.000 0.309 553 G C 1.225 176.168 174.900 0.071 0.000 1.265 553 G CA 0.993 46.127 45.100 0.055 0.000 0.998 553 G HN 2.428 nan 8.290 nan 0.000 0.551 554 G N -1.450 107.409 108.800 0.099 0.000 2.564 554 G HA2 0.404 4.363 3.960 -0.000 0.000 0.273 554 G HA3 0.404 4.363 3.960 -0.000 0.000 0.273 554 G C 1.461 176.454 174.900 0.155 0.000 1.242 554 G CA 1.610 46.728 45.100 0.030 0.000 0.951 554 G HN 3.273 nan 8.290 nan 0.000 0.564 555 G N -1.796 107.036 108.800 0.054 0.000 2.528 555 G HA2 0.331 4.290 3.960 -0.000 0.000 0.262 555 G HA3 0.331 4.290 3.960 -0.000 0.000 0.262 555 G C 0.588 175.536 174.900 0.079 0.000 1.200 555 G CA 1.927 47.068 45.100 0.069 0.000 0.951 555 G HN 2.916 nan 8.290 nan 0.000 0.566 556 S N -2.012 113.765 115.700 0.129 0.000 2.671 556 S HA 0.829 5.298 4.470 -0.000 0.000 0.299 556 S C -0.807 173.880 174.600 0.146 0.000 1.116 556 S CA 0.095 58.352 58.200 0.095 0.000 0.912 556 S CB 2.244 65.497 63.200 0.088 0.000 1.130 556 S HN 2.207 nan 8.310 nan 0.000 0.501 557 V N 0.013 119.981 119.914 0.090 0.000 2.808 557 V HA 0.840 4.960 4.120 -0.000 0.000 0.308 557 V C -1.077 175.122 176.094 0.175 0.000 1.099 557 V CA -0.276 62.094 62.300 0.116 0.000 0.920 557 V CB 1.712 33.510 31.823 -0.043 0.000 1.014 557 V HN 1.542 nan 8.190 nan 0.000 0.425 558 A N 5.558 128.544 122.820 0.277 0.000 2.343 558 A HA 0.853 5.173 4.320 -0.000 0.000 0.308 558 A C -1.255 176.594 177.584 0.440 0.000 1.092 558 A CA -0.504 51.739 52.037 0.343 0.000 0.751 558 A CB 1.803 21.085 19.000 0.471 0.000 1.203 558 A HN 0.959 nan 8.150 nan 0.000 0.452 559 V N 2.266 122.356 119.914 0.293 0.000 2.398 559 V HA 0.606 4.725 4.120 -0.000 0.000 0.286 559 V C 0.913 177.109 176.094 0.170 0.000 1.026 559 V CA -0.417 62.075 62.300 0.318 0.000 0.868 559 V CB 1.306 33.298 31.823 0.281 0.000 0.982 559 V HN 1.235 nan 8.190 nan 0.000 0.443 560 A N 3.830 126.807 122.820 0.263 0.000 2.531 560 A HA 0.477 4.797 4.320 -0.000 0.000 0.236 560 A C 1.691 179.267 177.584 -0.015 0.000 1.062 560 A CA 0.521 52.571 52.037 0.022 0.000 0.760 560 A CB 0.177 19.297 19.000 0.200 0.000 0.995 560 A HN 1.475 nan 8.150 nan 0.000 0.501 561 A N 1.834 124.595 122.820 -0.098 0.000 1.958 561 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 561 A C 1.390 178.979 177.584 0.008 0.000 1.178 561 A CA 2.243 54.254 52.037 -0.042 0.000 0.642 561 A CB -0.539 18.430 19.000 -0.051 0.000 0.816 561 A HN 0.952 nan 8.150 nan 0.000 0.453 562 D N -2.542 117.857 120.400 -0.002 0.000 2.342 562 D HA 0.430 5.070 4.640 -0.000 0.000 0.221 562 D C 0.700 176.974 176.300 -0.044 0.000 1.101 562 D CA 0.656 54.650 54.000 -0.010 0.000 0.837 562 D CB -0.325 40.463 40.800 -0.020 0.000 0.938 562 D HN 1.075 nan 8.370 nan 0.000 0.508 563 A N 0.167 122.972 122.820 -0.025 0.000 2.899 563 A HA -0.325 3.995 4.320 -0.000 0.000 0.257 563 A C 1.450 178.864 177.584 -0.284 0.000 1.335 563 A CA 1.504 53.436 52.037 -0.175 0.000 0.924 563 A CB -2.497 16.276 19.000 -0.378 0.000 1.105 563 A HN 0.382 nan 8.150 nan 0.000 0.765 564 K N -0.245 120.087 120.400 -0.112 0.000 2.361 564 K HA 0.133 4.453 4.320 -0.000 0.000 0.196 564 K C 0.770 177.336 176.600 -0.057 0.000 1.039 564 K CA 1.047 57.270 56.287 -0.107 0.000 1.001 564 K CB 0.118 32.582 32.500 -0.060 0.000 0.795 564 K HN 1.111 nan 8.250 nan 0.000 0.495 565 S N -0.811 114.921 115.700 0.053 0.000 2.579 565 S HA 0.564 5.034 4.470 -0.000 0.000 0.272 565 S C -0.920 173.828 174.600 0.247 0.000 1.141 565 S CA -0.943 57.307 58.200 0.083 0.000 0.843 565 S CB 2.322 65.551 63.200 0.048 0.000 1.122 565 S HN -0.177 nan 8.310 nan 0.000 0.468 566 V N 1.844 121.871 119.914 0.189 0.000 2.668 566 V HA 0.481 4.601 4.120 -0.000 0.000 0.304 566 V C -0.974 175.298 176.094 0.298 0.000 1.071 566 V CA -0.571 61.936 62.300 0.345 0.000 0.894 566 V CB 1.631 33.739 31.823 0.474 0.000 1.008 566 V HN 0.932 nan 8.190 nan 0.000 0.425 567 I N 4.099 124.853 120.570 0.306 0.000 2.336 567 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 567 I C -0.979 175.401 176.117 0.439 0.000 0.991 567 I CA -0.291 61.184 61.300 0.293 0.000 1.227 567 I CB 1.341 39.386 38.000 0.074 0.000 1.366 567 I HN 0.641 nan 8.210 nan 0.000 0.466 568 W N 6.879 128.335 121.300 0.260 0.000 2.376 568 W HA 0.415 5.075 4.660 -0.000 0.000 0.312 568 W C -0.703 175.780 176.519 -0.059 0.000 1.060 568 W CA -1.095 56.283 57.345 0.055 0.000 1.221 568 W CB 1.479 30.866 29.460 -0.122 0.000 1.281 568 W HN 0.313 nan 8.180 nan 0.000 0.456 569 T N 8.916 123.621 114.554 0.253 0.000 3.145 569 T HA 0.277 4.627 4.350 -0.000 0.000 0.362 569 T C -2.402 172.258 174.700 -0.068 0.000 1.340 569 T CA -1.185 60.902 62.100 -0.021 0.000 1.069 569 T CB 0.720 69.581 68.868 -0.011 0.000 1.129 569 T HN 0.090 nan 8.240 nan 0.000 0.585 570 P HA 0.156 nan 4.420 nan 0.000 0.274 570 P C 0.105 177.288 177.300 -0.195 0.000 1.246 570 P CA -0.667 62.206 63.100 -0.379 0.000 0.795 570 P CB 0.596 31.781 31.700 -0.859 0.000 1.006 571 E N 1.921 122.053 120.200 -0.114 0.000 2.480 571 E HA -0.104 4.246 4.350 -0.000 0.000 0.258 571 E C 0.014 176.538 176.600 -0.127 0.000 0.984 571 E CA 0.144 56.486 56.400 -0.097 0.000 0.930 571 E CB -0.494 29.160 29.700 -0.076 0.000 0.936 571 E HN 0.338 nan 8.360 nan 0.000 0.466 572 N N 0.889 119.526 118.700 -0.105 0.000 2.714 572 N HA -0.243 4.497 4.740 -0.000 0.000 0.250 572 N C -1.103 174.327 175.510 -0.134 0.000 1.117 572 N CA 1.229 54.218 53.050 -0.102 0.000 0.719 572 N CB -1.322 37.111 38.487 -0.090 0.000 1.081 572 N HN 0.484 nan 8.380 nan 0.000 0.557 573 A N -1.051 121.665 122.820 -0.173 0.000 2.532 573 A HA 0.786 5.106 4.320 -0.000 0.000 0.290 573 A C 0.005 177.451 177.584 -0.229 0.000 1.143 573 A CA -0.376 51.530 52.037 -0.218 0.000 0.728 573 A CB 1.312 20.129 19.000 -0.306 0.000 1.317 573 A HN 0.032 nan 8.150 nan 0.000 0.414 574 S N 1.422 116.975 115.700 -0.246 0.000 2.601 574 S HA 0.505 4.974 4.470 -0.000 0.000 0.271 574 S C -2.514 171.921 174.600 -0.276 0.000 1.305 574 S CA -0.687 57.350 58.200 -0.272 0.000 1.022 574 S CB 0.471 63.517 63.200 -0.257 0.000 0.940 574 S HN 0.502 nan 8.310 nan 0.000 0.525 575 P HA 0.247 nan 4.420 nan 0.000 0.264 575 P C -1.309 175.912 177.300 -0.131 0.000 1.193 575 P CA 0.105 63.081 63.100 -0.206 0.000 0.763 575 P CB 0.338 31.860 31.700 -0.296 0.000 0.810 576 A N 3.090 125.899 122.820 -0.018 0.000 2.414 576 A HA 0.630 4.950 4.320 -0.000 0.000 0.306 576 A C -1.090 176.733 177.584 0.398 0.000 1.054 576 A CA -0.750 51.368 52.037 0.134 0.000 0.724 576 A CB 1.639 20.682 19.000 0.071 0.000 1.267 576 A HN 0.414 nan 8.150 nan 0.000 0.418 577 V N 1.046 121.157 119.914 0.327 0.000 2.667 577 V HA 0.829 4.949 4.120 -0.000 0.000 0.308 577 V C -0.041 176.071 176.094 0.031 0.000 1.048 577 V CA 0.100 62.518 62.300 0.196 0.000 0.928 577 V CB 1.998 33.810 31.823 -0.017 0.000 1.004 577 V HN 1.131 nan 8.190 nan 0.000 0.444 578 T N 2.504 116.882 114.554 -0.293 0.000 2.863 578 T HA 0.493 4.842 4.350 -0.000 0.000 0.285 578 T C 0.469 174.986 174.700 -0.305 0.000 1.009 578 T CA 0.222 61.975 62.100 -0.578 0.000 0.989 578 T CB 1.373 69.449 68.868 -1.320 0.000 1.004 578 T HN 0.994 nan 8.240 nan 0.000 0.455 579 T N -0.086 114.319 114.554 -0.247 0.000 3.084 579 T HA 0.256 4.605 4.350 -0.000 0.000 0.270 579 T C 0.079 174.675 174.700 -0.173 0.000 1.008 579 T CA -0.131 61.868 62.100 -0.168 0.000 0.900 579 T CB -0.125 68.674 68.868 -0.116 0.000 1.084 579 T HN 0.652 nan 8.240 nan 0.000 0.538 580 D N 0.012 120.282 120.400 -0.216 0.000 2.837 580 D HA 0.186 4.826 4.640 -0.000 0.000 0.340 580 D C 0.016 176.214 176.300 -0.168 0.000 1.451 580 D CA -0.847 53.055 54.000 -0.162 0.000 0.798 580 D CB -0.834 39.897 40.800 -0.115 0.000 1.169 580 D HN -0.019 nan 8.370 nan 0.000 0.449 581 N N 0.858 119.389 118.700 -0.283 0.000 2.735 581 N HA -0.137 4.603 4.740 -0.000 0.000 0.248 581 N C 1.194 176.625 175.510 -0.131 0.000 1.083 581 N CA 1.462 54.250 53.050 -0.436 0.000 0.703 581 N CB -1.345 37.047 38.487 -0.158 0.000 1.005 581 N HN 0.819 nan 8.380 nan 0.000 0.550 582 G N -1.302 107.393 108.800 -0.175 0.000 2.157 582 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.248 582 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.248 582 G C 1.053 176.049 174.900 0.159 0.000 0.979 582 G CA 0.472 45.627 45.100 0.092 0.000 0.650 582 G HN 0.470 nan 8.290 nan 0.000 0.529 583 N N 0.535 119.257 118.700 0.037 0.000 2.120 583 N HA 0.012 4.752 4.740 -0.000 0.000 0.188 583 N C 1.366 176.912 175.510 0.061 0.000 1.024 583 N CA 1.721 54.816 53.050 0.075 0.000 0.852 583 N CB -0.089 38.418 38.487 0.034 0.000 1.003 583 N HN 1.060 nan 8.380 nan 0.000 0.424 584 S N -1.580 114.073 115.700 -0.080 0.000 2.564 584 S HA 0.626 5.096 4.470 -0.000 0.000 0.274 584 S C -1.624 172.838 174.600 -0.229 0.000 1.124 584 S CA -0.994 57.193 58.200 -0.022 0.000 0.869 584 S CB 1.414 64.614 63.200 -0.000 0.000 1.105 584 S HN 0.191 nan 8.310 nan 0.000 0.472 585 W N 0.688 122.025 121.300 0.062 0.000 2.844 585 W HA 0.721 5.381 4.660 -0.001 0.000 0.340 585 W C -0.148 176.379 176.519 0.013 0.000 1.093 585 W CA -0.590 56.786 57.345 0.051 0.000 1.212 585 W CB 2.024 31.518 29.460 0.057 0.000 1.422 585 W HN 0.763 nan 8.180 nan 0.000 0.515 586 K N 1.484 122.021 120.400 0.229 0.000 2.426 586 K HA 0.569 4.889 4.320 -0.000 0.000 0.254 586 K C -1.051 175.614 176.600 0.107 0.000 0.936 586 K CA -0.717 55.642 56.287 0.119 0.000 0.801 586 K CB 1.697 34.229 32.500 0.053 0.000 1.139 586 K HN 0.323 nan 8.250 nan 0.000 0.424 587 V N 4.301 124.244 119.914 0.049 0.000 2.529 587 V HA -0.036 4.084 4.120 -0.000 0.000 0.292 587 V C 0.079 176.167 176.094 -0.010 0.000 1.028 587 V CA -0.514 61.782 62.300 -0.006 0.000 1.074 587 V CB 0.221 32.014 31.823 -0.051 0.000 0.958 587 V HN 0.859 nan 8.190 nan 0.000 0.481 588 C N 5.102 124.386 119.300 -0.026 0.000 2.648 588 C HA 0.295 4.755 4.460 -0.000 0.000 0.419 588 C C 1.356 176.329 174.990 -0.029 0.000 1.352 588 C CA -0.563 58.467 59.018 0.019 0.000 1.816 588 C CB -0.784 26.960 27.740 0.008 0.000 2.598 588 C HN 1.014 nan 8.230 nan 0.000 0.598 589 T N 0.807 115.388 114.554 0.046 0.000 2.930 589 T HA 0.203 4.553 4.350 -0.000 0.000 0.306 589 T C 0.550 175.235 174.700 -0.025 0.000 1.045 589 T CA 0.107 62.214 62.100 0.011 0.000 1.134 589 T CB -0.031 68.864 68.868 0.045 0.000 0.961 589 T HN 0.911 nan 8.240 nan 0.000 0.545 590 N N -0.218 118.428 118.700 -0.089 0.000 2.965 590 N HA -0.146 4.594 4.740 -0.000 0.000 0.232 590 N C -0.207 175.029 175.510 -0.457 0.000 0.913 590 N CA 0.857 53.826 53.050 -0.135 0.000 0.981 590 N CB -1.327 37.184 38.487 0.041 0.000 1.077 590 N HN 0.597 nan 8.380 nan 0.000 0.589 591 L N -0.390 120.461 121.223 -0.620 0.000 2.397 591 L HA 0.844 5.184 4.340 -0.000 0.000 0.266 591 L C 1.092 177.309 176.870 -1.087 0.000 1.040 591 L CA -0.488 53.696 54.840 -1.094 0.000 0.800 591 L CB 1.334 42.788 42.059 -1.008 0.000 1.324 591 L HN 0.133 nan 8.230 nan 0.000 0.469 595 A N 0.668 123.540 122.820 0.087 0.000 2.540 595 A HA 0.509 4.828 4.320 -0.000 0.000 0.239 595 A C 0.251 177.862 177.584 0.044 0.000 1.061 595 A CA 0.457 52.532 52.037 0.064 0.000 0.758 595 A CB 0.502 19.335 19.000 -0.279 0.000 0.991 595 A HN 0.808 nan 8.150 nan 0.000 0.502 596 V N 4.400 124.386 119.914 0.120 0.000 2.328 596 V HA 0.363 4.483 4.120 -0.000 0.000 0.278 596 V C -0.093 176.086 176.094 0.142 0.000 1.021 596 V CA -0.365 62.013 62.300 0.129 0.000 0.838 596 V CB 0.890 32.809 31.823 0.159 0.000 0.999 596 V HN 0.614 nan 8.190 nan 0.000 0.447 597 V N 3.972 123.965 119.914 0.131 0.000 2.581 597 V HA 0.949 5.069 4.120 -0.000 0.000 0.303 597 V C 0.240 176.504 176.094 0.283 0.000 1.041 597 V CA -0.332 62.074 62.300 0.176 0.000 0.907 597 V CB 1.775 33.662 31.823 0.107 0.000 0.994 597 V HN 0.990 nan 8.190 nan 0.000 0.442 598 A N 2.847 125.902 122.820 0.391 0.000 2.539 598 A HA 0.876 5.196 4.320 -0.000 0.000 0.296 598 A C -0.308 177.502 177.584 0.377 0.000 1.073 598 A CA -0.448 51.820 52.037 0.385 0.000 0.700 598 A CB 1.989 21.228 19.000 0.399 0.000 1.296 598 A HN 1.014 nan 8.150 nan 0.000 0.405 599 S N 0.503 116.288 115.700 0.142 0.000 2.585 599 S HA 0.539 5.009 4.470 -0.000 0.000 0.277 599 S C -0.285 174.273 174.600 -0.070 0.000 1.241 599 S CA -0.426 57.571 58.200 -0.337 0.000 1.041 599 S CB 1.157 63.991 63.200 -0.610 0.000 0.987 599 S HN 0.740 nan 8.310 nan 0.000 0.512 600 D N -0.120 120.178 120.400 -0.171 0.000 2.399 600 D HA 0.152 4.792 4.640 -0.000 0.000 0.241 600 D C 1.043 177.329 176.300 -0.022 0.000 1.133 600 D CA -0.291 53.771 54.000 0.104 0.000 0.890 600 D CB 0.657 41.498 40.800 0.068 0.000 1.201 600 D HN 0.404 nan 8.370 nan 0.000 0.432 601 R N 2.543 123.068 120.500 0.042 0.000 2.317 601 R HA 0.090 4.430 4.340 -0.000 0.000 0.208 601 R C 0.643 176.941 176.300 -0.003 0.000 0.914 601 R CA 0.184 56.283 56.100 -0.002 0.000 1.060 601 R CB 0.265 30.576 30.300 0.018 0.000 1.015 601 R HN 0.347 nan 8.270 nan 0.000 0.498 602 V N -0.070 119.847 119.914 0.004 0.000 2.996 602 V HA 0.094 4.214 4.120 -0.000 0.000 0.235 602 V C 0.514 176.605 176.094 -0.004 0.000 1.205 602 V CA 0.128 62.429 62.300 0.002 0.000 1.225 602 V CB 0.087 31.913 31.823 0.006 0.000 0.995 602 V HN 0.118 nan 8.190 nan 0.000 0.484 603 N N 1.392 120.089 118.700 -0.004 0.000 2.457 603 N HA 0.246 4.986 4.740 -0.000 0.000 0.250 603 N C 1.034 176.510 175.510 -0.057 0.000 0.982 603 N CA 0.537 53.579 53.050 -0.014 0.000 0.941 603 N CB 1.703 40.197 38.487 0.011 0.000 1.120 603 N HN 0.250 nan 8.380 nan 0.000 0.505 604 G N 2.964 111.739 108.800 -0.041 0.000 2.470 604 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 604 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 604 G C 1.278 176.183 174.900 0.008 0.000 1.121 604 G CA 0.594 45.671 45.100 -0.039 0.000 0.766 604 G HN 0.483 nan 8.290 nan 0.000 0.553 605 K N 0.160 120.564 120.400 0.007 0.000 2.418 605 K HA 0.104 4.424 4.320 -0.000 0.000 0.195 605 K C 0.548 177.172 176.600 0.039 0.000 1.035 605 K CA 0.328 56.640 56.287 0.041 0.000 1.003 605 K CB 0.290 32.798 32.500 0.012 0.000 0.793 605 K HN 0.254 nan 8.250 nan 0.000 0.494 606 K N 0.393 120.752 120.400 -0.068 0.000 2.235 606 K HA 0.365 4.685 4.320 -0.000 0.000 0.266 606 K C -0.798 175.540 176.600 -0.436 0.000 0.980 606 K CA -0.334 55.833 56.287 -0.201 0.000 0.849 606 K CB 1.025 33.415 32.500 -0.183 0.000 1.098 606 K HN -0.215 nan 8.250 nan 0.000 0.445 607 F N 1.434 121.083 119.950 -0.501 0.000 2.620 607 F HA 0.489 5.015 4.527 -0.000 0.000 0.320 607 F C -0.647 174.904 175.800 -0.414 0.000 1.069 607 F CA -0.876 56.915 58.000 -0.348 0.000 0.953 607 F CB 1.467 40.471 39.000 0.007 0.000 1.322 607 F HN 0.338 nan 8.300 nan 0.000 0.479 608 Y N 0.516 121.156 120.300 0.567 0.000 2.545 608 Y HA 0.796 5.346 4.550 -0.000 0.000 0.348 608 Y C -0.486 175.546 175.900 0.220 0.000 1.002 608 Y CA -1.520 56.817 58.100 0.395 0.000 1.039 608 Y CB 2.094 40.839 38.460 0.476 0.000 1.271 608 Y HN 0.655 nan 8.280 nan 0.000 0.467 609 A N 1.782 124.564 122.820 -0.063 0.000 2.517 609 A HA 0.647 4.967 4.320 -0.000 0.000 0.297 609 A C -2.291 175.110 177.584 -0.306 0.000 1.050 609 A CA -0.591 51.355 52.037 -0.151 0.000 0.694 609 A CB 0.841 19.641 19.000 -0.334 0.000 1.277 609 A HN 0.653 nan 8.150 nan 0.000 0.400 610 F N 2.757 122.647 119.950 -0.100 0.000 2.404 610 F HA 0.658 5.185 4.527 -0.000 0.000 0.354 610 F C -0.959 174.923 175.800 0.136 0.000 1.122 610 F CA -0.087 57.954 58.000 0.069 0.000 1.080 610 F CB 0.948 40.032 39.000 0.140 0.000 1.131 610 F HN 0.620 nan 8.300 nan 0.000 0.471 611 Y N 6.370 126.610 120.300 -0.099 0.000 2.361 611 Y HA 0.285 4.834 4.550 -0.000 0.000 0.328 611 Y C -0.306 175.551 175.900 -0.071 0.000 1.044 611 Y CA -1.659 56.407 58.100 -0.057 0.000 1.085 611 Y CB 0.691 39.006 38.460 -0.241 0.000 1.194 611 Y HN 0.684 nan 8.280 nan 0.000 0.438 612 N N 4.271 122.648 118.700 -0.539 0.000 2.714 612 N HA -0.183 4.556 4.740 -0.000 0.000 0.252 612 N C 0.935 176.254 175.510 -0.318 0.000 1.014 612 N CA 1.950 54.701 53.050 -0.497 0.000 0.735 612 N CB -1.160 36.844 38.487 -0.806 0.000 0.924 612 N HN 1.570 nan 8.380 nan 0.000 0.540 613 G N -1.781 106.857 108.800 -0.271 0.000 2.162 613 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 613 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 613 G C 0.059 174.595 174.900 -0.607 0.000 0.976 613 G CA 1.018 45.932 45.100 -0.310 0.000 0.655 613 G HN 0.587 nan 8.290 nan 0.000 0.533 614 K N -1.071 118.898 120.400 -0.720 0.000 2.395 614 K HA 0.711 5.031 4.320 -0.000 0.000 0.247 614 K C -1.202 175.067 176.600 -0.553 0.000 0.973 614 K CA -1.018 54.945 56.287 -0.540 0.000 0.828 614 K CB 1.861 34.143 32.500 -0.363 0.000 1.272 614 K HN 0.021 nan 8.250 nan 0.000 0.439 615 F N 1.581 121.218 119.950 -0.523 0.000 2.450 615 F HA 0.449 4.976 4.527 -0.000 0.000 0.332 615 F C -1.084 174.539 175.800 -0.294 0.000 1.093 615 F CA -0.205 57.663 58.000 -0.220 0.000 1.003 615 F CB 0.844 39.844 39.000 -0.001 0.000 1.151 615 F HN 0.375 nan 8.300 nan 0.000 0.474 616 Y N 5.594 125.656 120.300 -0.396 0.000 2.477 616 Y HA 0.568 5.118 4.550 -0.000 0.000 0.347 616 Y C -0.695 175.260 175.900 0.091 0.000 0.981 616 Y CA -0.992 57.079 58.100 -0.048 0.000 1.033 616 Y CB 1.979 40.463 38.460 0.041 0.000 1.245 616 Y HN 0.467 nan 8.280 nan 0.000 0.455 617 I N 1.552 122.323 120.570 0.335 0.000 2.603 617 I HA 0.591 4.760 4.170 -0.000 0.000 0.300 617 I C -0.816 175.283 176.117 -0.030 0.000 1.017 617 I CA -0.378 61.076 61.300 0.256 0.000 1.098 617 I CB 1.570 39.725 38.000 0.259 0.000 1.279 617 I HN 0.594 nan 8.210 nan 0.000 0.437 618 S N 2.935 118.397 115.700 -0.396 0.000 2.482 618 S HA 0.490 4.960 4.470 -0.000 0.000 0.303 618 S C 0.226 174.668 174.600 -0.263 0.000 1.091 618 S CA -0.145 57.674 58.200 -0.635 0.000 1.057 618 S CB 1.205 63.579 63.200 -1.376 0.000 1.031 618 S HN 0.736 nan 8.310 nan 0.000 0.485 619 T N -0.057 114.405 114.554 -0.153 0.000 3.145 619 T HA 0.251 4.601 4.350 -0.000 0.000 0.281 619 T C -0.171 174.500 174.700 -0.048 0.000 1.003 619 T CA -0.189 61.876 62.100 -0.058 0.000 0.901 619 T CB -0.235 68.636 68.868 0.005 0.000 1.112 619 T HN 0.609 nan 8.240 nan 0.000 0.535 620 D N 0.488 120.837 120.400 -0.085 0.000 2.696 620 D HA 0.366 5.006 4.640 -0.000 0.000 0.269 620 D C 1.351 177.620 176.300 -0.051 0.000 1.319 620 D CA -0.346 53.618 54.000 -0.058 0.000 0.826 620 D CB -0.253 40.509 40.800 -0.062 0.000 1.086 620 D HN 0.377 nan 8.370 nan 0.000 0.481 621 G N -0.372 108.432 108.800 0.008 0.000 2.147 621 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.244 621 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.244 621 G C 1.135 175.942 174.900 -0.154 0.000 1.005 621 G CA 0.305 45.463 45.100 0.096 0.000 0.713 621 G HN 1.465 nan 8.290 nan 0.000 0.515 622 G N -1.620 106.989 108.800 -0.319 0.000 2.176 622 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.232 622 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.232 622 G C 1.232 175.998 174.900 -0.223 0.000 0.986 622 G CA 0.711 45.493 45.100 -0.531 0.000 0.643 622 G HN 1.195 nan 8.290 nan 0.000 0.522 623 L N 0.864 121.984 121.223 -0.172 0.000 2.027 623 L HA 0.194 4.534 4.340 -0.000 0.000 0.206 623 L C 1.871 178.726 176.870 -0.024 0.000 1.074 623 L CA 2.021 56.819 54.840 -0.070 0.000 0.745 623 L CB -0.351 41.672 42.059 -0.060 0.000 0.898 623 L HN 0.612 nan 8.230 nan 0.000 0.433 624 T N -3.153 111.345 114.554 -0.095 0.000 2.893 624 T HA 0.569 4.919 4.350 -0.000 0.000 0.293 624 T C -0.813 173.804 174.700 -0.139 0.000 1.027 624 T CA -0.582 61.509 62.100 -0.016 0.000 0.988 624 T CB 1.755 70.620 68.868 -0.004 0.000 1.043 624 T HN -0.153 nan 8.240 nan 0.000 0.461 625 F N 0.751 120.698 119.950 -0.005 0.000 2.522 625 F HA 0.663 5.190 4.527 -0.000 0.000 0.324 625 F C 0.574 176.467 175.800 0.155 0.000 1.077 625 F CA -0.673 57.360 58.000 0.055 0.000 0.944 625 F CB 2.830 41.816 39.000 -0.024 0.000 1.175 625 F HN 0.618 nan 8.300 nan 0.000 0.468 626 T N 1.065 115.840 114.554 0.368 0.000 2.848 626 T HA 0.140 4.490 4.350 -0.000 0.000 0.285 626 T C -1.193 173.629 174.700 0.203 0.000 0.995 626 T CA -0.728 61.540 62.100 0.280 0.000 0.970 626 T CB 1.379 70.342 68.868 0.158 0.000 0.976 626 T HN 0.423 nan 8.240 nan 0.000 0.441 627 D N 2.374 122.781 120.400 0.012 0.000 2.451 627 D HA -0.012 4.628 4.640 -0.000 0.000 0.254 627 D C 1.571 177.735 176.300 -0.226 0.000 1.204 627 D CA 0.269 53.981 54.000 -0.479 0.000 0.896 627 D CB 0.962 41.538 40.800 -0.374 0.000 1.136 627 D HN 0.636 nan 8.370 nan 0.000 0.499 628 T N 0.873 115.263 114.554 -0.274 0.000 3.072 628 T HA -0.084 4.265 4.350 -0.000 0.000 0.266 628 T C 0.888 175.535 174.700 -0.088 0.000 1.127 628 T CA 0.220 62.129 62.100 -0.318 0.000 1.107 628 T CB -0.320 68.199 68.868 -0.583 0.000 0.910 628 T HN 0.666 nan 8.240 nan 0.000 0.513 629 K N 0.673 121.016 120.400 -0.095 0.000 3.096 629 K HA -0.116 4.203 4.320 -0.000 0.000 0.266 629 K C 0.175 176.787 176.600 0.020 0.000 1.043 629 K CA 0.026 56.293 56.287 -0.034 0.000 0.758 629 K CB -2.271 30.237 32.500 0.013 0.000 1.260 629 K HN 0.710 nan 8.250 nan 0.000 0.481 630 A N 1.191 124.024 122.820 0.021 0.000 2.524 630 A HA 0.167 4.487 4.320 -0.000 0.000 0.250 630 A C -0.326 177.297 177.584 0.065 0.000 1.078 630 A CA -0.842 51.246 52.037 0.084 0.000 0.761 630 A CB 0.133 19.227 19.000 0.156 0.000 1.012 630 A HN 0.172 nan 8.150 nan 0.000 0.500 631 P HA -0.099 nan 4.420 nan 0.000 0.221 631 P C 0.020 177.372 177.300 0.086 0.000 1.150 631 P CA 1.220 64.363 63.100 0.071 0.000 0.800 631 P CB 0.275 32.019 31.700 0.073 0.000 0.787 632 Q N -0.308 119.572 119.800 0.134 0.000 2.274 632 Q HA 0.666 5.006 4.340 -0.000 0.000 0.268 632 Q C -0.967 175.117 176.000 0.140 0.000 1.015 632 Q CA -0.367 55.550 55.803 0.190 0.000 0.775 632 Q CB 2.542 31.451 28.738 0.285 0.000 1.256 632 Q HN 0.012 nan 8.270 nan 0.000 0.442 633 L N 2.611 123.771 121.223 -0.105 0.000 2.465 633 L HA 0.641 4.981 4.340 -0.000 0.000 0.257 633 L C -2.363 174.081 176.870 -0.711 0.000 0.988 633 L CA -2.130 52.367 54.840 -0.572 0.000 0.827 633 L CB 2.480 44.376 42.059 -0.271 0.000 1.397 633 L HN 0.482 nan 8.230 nan 0.000 0.410 634 P HA 0.148 nan 4.420 nan 0.000 0.272 634 P C -0.371 176.831 177.300 -0.164 0.000 1.240 634 P CA -0.460 62.300 63.100 -0.567 0.000 0.791 634 P CB 0.954 32.196 31.700 -0.764 0.000 0.978 635 K N -0.148 120.218 120.400 -0.057 0.000 2.148 635 K HA 0.021 4.341 4.320 -0.000 0.000 0.204 635 K C 1.122 177.771 176.600 0.083 0.000 1.050 635 K CA 1.142 57.444 56.287 0.026 0.000 0.942 635 K CB -0.411 32.096 32.500 0.012 0.000 0.724 635 K HN 0.732 nan 8.250 nan 0.000 0.446 636 S N -1.006 114.650 115.700 -0.073 0.000 2.570 636 S HA 0.559 5.028 4.470 -0.000 0.000 0.270 636 S C -0.587 173.720 174.600 -0.489 0.000 1.149 636 S CA -0.926 57.176 58.200 -0.163 0.000 0.837 636 S CB 1.932 65.095 63.200 -0.060 0.000 1.124 636 S HN -0.034 nan 8.310 nan 0.000 0.465 637 V N -0.331 119.227 119.914 -0.593 0.000 2.962 637 V HA 0.704 4.824 4.120 -0.000 0.000 0.313 637 V C 0.448 176.415 176.094 -0.213 0.000 1.099 637 V CA -0.735 61.266 62.300 -0.498 0.000 0.971 637 V CB 1.660 33.038 31.823 -0.742 0.000 1.028 637 V HN 0.963 nan 8.190 nan 0.000 0.430 638 N N 1.378 120.012 118.700 -0.110 0.000 2.305 638 N HA 0.148 4.887 4.740 -0.000 0.000 0.179 638 N C 0.193 175.703 175.510 -0.001 0.000 1.019 638 N CA 1.093 54.126 53.050 -0.028 0.000 0.869 638 N CB 0.213 38.716 38.487 0.028 0.000 1.000 638 N HN 0.740 nan 8.380 nan 0.000 0.431 639 K N 0.115 120.523 120.400 0.013 0.000 2.508 639 K HA 0.351 4.670 4.320 -0.000 0.000 0.260 639 K C -0.879 175.793 176.600 0.121 0.000 0.949 639 K CA -0.658 55.674 56.287 0.076 0.000 0.834 639 K CB 2.406 34.961 32.500 0.092 0.000 1.365 639 K HN 0.232 nan 8.250 nan 0.000 0.437 640 I N -2.220 118.471 120.570 0.201 0.000 2.785 640 I HA 0.662 4.831 4.170 -0.000 0.000 0.302 640 I C -1.051 175.280 176.117 0.357 0.000 1.069 640 I CA -0.677 60.812 61.300 0.314 0.000 1.045 640 I CB 2.617 40.867 38.000 0.415 0.000 1.236 640 I HN 0.452 nan 8.210 nan 0.000 0.429 641 K N 3.984 124.658 120.400 0.456 0.000 2.561 641 K HA 0.741 5.061 4.320 -0.000 0.000 0.254 641 K C -1.489 175.458 176.600 0.578 0.000 0.942 641 K CA -0.529 56.049 56.287 0.484 0.000 0.818 641 K CB 2.264 35.043 32.500 0.464 0.000 1.306 641 K HN 0.968 nan 8.250 nan 0.000 0.435 642 A N 2.253 125.345 122.820 0.454 0.000 2.264 642 A HA 0.630 4.950 4.320 -0.000 0.000 0.304 642 A C -0.735 176.975 177.584 0.210 0.000 1.100 642 A CA -0.583 51.665 52.037 0.351 0.000 0.839 642 A CB 1.038 20.242 19.000 0.341 0.000 1.121 642 A HN 0.357 nan 8.150 nan 0.000 0.496 643 V N 2.151 122.075 119.914 0.016 0.000 2.398 643 V HA 0.330 4.450 4.120 -0.000 0.000 0.286 643 V C -2.359 173.630 176.094 -0.176 0.000 1.026 643 V CA -1.666 60.433 62.300 -0.335 0.000 0.868 643 V CB 1.238 32.747 31.823 -0.524 0.000 0.982 643 V HN 0.748 nan 8.190 nan 0.000 0.443 644 P HA 0.174 nan 4.420 nan 0.000 0.264 644 P C 1.027 178.249 177.300 -0.131 0.000 1.183 644 P CA 1.368 64.438 63.100 -0.050 0.000 0.763 644 P CB 0.570 32.294 31.700 0.039 0.000 0.807 645 G N 1.683 110.427 108.800 -0.094 0.000 2.184 645 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.264 645 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.264 645 G C 0.047 174.833 174.900 -0.190 0.000 0.975 645 G CA -0.010 45.017 45.100 -0.122 0.000 0.642 645 G HN 0.528 nan 8.290 nan 0.000 0.536 646 K N 0.941 121.198 120.400 -0.238 0.000 2.626 646 K HA 0.307 4.627 4.320 -0.000 0.000 0.223 646 K C -0.181 176.325 176.600 -0.157 0.000 0.992 646 K CA -0.561 55.496 56.287 -0.382 0.000 1.024 646 K CB 1.421 33.419 32.500 -0.836 0.000 1.225 646 K HN 0.565 nan 8.250 nan 0.000 0.498 647 E N 0.349 120.527 120.200 -0.037 0.000 2.417 647 E HA 0.150 4.500 4.350 -0.000 0.000 0.261 647 E C 0.750 177.473 176.600 0.205 0.000 1.000 647 E CA 0.921 57.377 56.400 0.094 0.000 0.919 647 E CB 0.242 29.989 29.700 0.078 0.000 0.955 647 E HN 0.772 nan 8.360 nan 0.000 0.455 648 G N 4.243 113.209 108.800 0.276 0.000 2.176 648 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.253 648 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.253 648 G C -0.154 174.827 174.900 0.134 0.000 0.979 648 G CA 0.192 45.440 45.100 0.246 0.000 0.641 648 G HN 0.787 nan 8.290 nan 0.000 0.530 649 H N 0.178 119.249 119.070 0.002 0.000 2.782 649 H HA 0.451 5.007 4.556 -0.000 0.000 0.285 649 H C -0.313 175.033 175.328 0.031 0.000 1.093 649 H CA -0.142 55.911 56.048 0.009 0.000 1.410 649 H CB 1.259 31.118 29.762 0.161 0.000 1.439 649 H HN 0.149 nan 8.280 nan 0.000 0.469 650 V N 3.977 123.885 119.914 -0.011 0.000 2.656 650 V HA 0.221 4.341 4.120 -0.000 0.000 0.307 650 V C -0.780 175.470 176.094 0.260 0.000 1.051 650 V CA -1.035 61.358 62.300 0.155 0.000 0.893 650 V CB 1.802 33.611 31.823 -0.024 0.000 0.999 650 V HN 0.643 nan 8.190 nan 0.000 0.426 651 W N 3.483 125.015 121.300 0.386 0.000 2.666 651 W HA 0.790 5.450 4.660 -0.000 0.000 0.334 651 W C -0.647 176.088 176.519 0.361 0.000 1.051 651 W CA -0.611 56.993 57.345 0.431 0.000 1.224 651 W CB 1.558 31.334 29.460 0.526 0.000 1.405 651 W HN 0.345 nan 8.180 nan 0.000 0.513 652 L N 3.602 125.114 121.223 0.482 0.000 2.287 652 L HA 0.691 5.031 4.340 -0.000 0.000 0.287 652 L C 0.275 177.295 176.870 0.250 0.000 1.022 652 L CA -1.178 53.795 54.840 0.220 0.000 0.814 652 L CB 1.092 43.069 42.059 -0.137 0.000 1.217 652 L HN 0.523 nan 8.230 nan 0.000 0.420 653 A N 2.735 125.648 122.820 0.155 0.000 2.366 653 A HA 0.647 4.967 4.320 -0.000 0.000 0.322 653 A C 0.664 178.248 177.584 0.001 0.000 1.397 653 A CA -0.263 51.840 52.037 0.110 0.000 0.984 653 A CB 0.697 19.759 19.000 0.103 0.000 1.149 653 A HN 0.859 nan 8.150 nan 0.000 0.540 654 A N 3.262 126.084 122.820 0.003 0.000 2.507 654 A HA 0.476 4.795 4.320 -0.000 0.000 0.270 654 A C 1.224 178.774 177.584 -0.058 0.000 1.318 654 A CA 0.100 52.087 52.037 -0.083 0.000 0.924 654 A CB -0.324 18.620 19.000 -0.092 0.000 1.061 654 A HN 1.027 nan 8.150 nan 0.000 0.516 655 R N -0.620 119.829 120.500 -0.085 0.000 3.923 655 R HA -0.260 4.079 4.340 -0.000 0.000 0.400 655 R C 0.720 176.909 176.300 -0.185 0.000 0.241 655 R CA 1.861 57.839 56.100 -0.204 0.000 1.284 655 R CB -1.189 29.106 30.300 -0.009 0.000 1.006 655 R HN 0.557 nan 8.270 nan 0.000 0.559 656 E N 0.973 121.110 120.200 -0.105 0.000 2.409 656 E HA -0.062 4.288 4.350 -0.000 0.000 0.198 656 E C 1.748 178.343 176.600 -0.008 0.000 1.024 656 E CA 0.785 57.150 56.400 -0.058 0.000 0.861 656 E CB -0.163 29.527 29.700 -0.017 0.000 0.788 656 E HN 0.647 nan 8.360 nan 0.000 0.521 657 G N 0.956 109.768 108.800 0.021 0.000 2.679 657 G HA2 0.182 4.142 3.960 -0.000 0.000 0.212 657 G HA3 0.182 4.142 3.960 -0.000 0.000 0.212 657 G C 0.751 175.810 174.900 0.265 0.000 1.137 657 G CA 0.327 45.498 45.100 0.118 0.000 0.787 657 G HN 0.461 nan 8.290 nan 0.000 0.534 658 G N -1.136 107.741 108.800 0.128 0.000 2.526 658 G HA2 0.122 4.082 3.960 -0.000 0.000 0.250 658 G HA3 0.122 4.082 3.960 -0.000 0.000 0.250 658 G C -1.085 173.917 174.900 0.172 0.000 1.289 658 G CA -0.277 44.869 45.100 0.077 0.000 0.947 658 G HN 0.920 nan 8.290 nan 0.000 0.517 659 L N -0.530 120.742 121.223 0.082 0.000 2.333 659 L HA 0.912 5.252 4.340 -0.000 0.000 0.280 659 L C -1.110 175.876 176.870 0.195 0.000 1.004 659 L CA -0.815 54.169 54.840 0.239 0.000 0.820 659 L CB 1.203 43.377 42.059 0.192 0.000 1.247 659 L HN 0.667 nan 8.230 nan 0.000 0.416 660 W N 4.735 126.115 121.300 0.133 0.000 2.781 660 W HA 0.766 5.426 4.660 -0.001 0.000 0.345 660 W C -0.559 175.964 176.519 0.006 0.000 1.085 660 W CA -0.675 56.712 57.345 0.069 0.000 1.198 660 W CB 1.423 30.884 29.460 0.002 0.000 1.423 660 W HN 0.516 nan 8.180 nan 0.000 0.532 661 R N 0.561 121.063 120.500 0.003 0.000 2.686 661 R HA 0.851 5.191 4.340 -0.000 0.000 0.283 661 R C -1.124 174.886 176.300 -0.484 0.000 0.978 661 R CA -0.800 54.926 56.100 -0.623 0.000 0.897 661 R CB 2.126 31.536 30.300 -1.483 0.000 1.192 661 R HN 0.305 nan 8.270 nan 0.000 0.457 662 S N 0.280 115.513 115.700 -0.778 0.000 2.526 662 S HA 0.351 4.821 4.470 -0.000 0.000 0.293 662 S C 0.152 174.330 174.600 -0.703 0.000 1.092 662 S CA -0.345 57.282 58.200 -0.956 0.000 0.980 662 S CB 1.743 63.940 63.200 -1.671 0.000 1.048 662 S HN 0.759 nan 8.310 nan 0.000 0.483 663 T N -0.286 113.911 114.554 -0.595 0.000 3.084 663 T HA 0.241 4.591 4.350 -0.000 0.000 0.270 663 T C 0.015 174.571 174.700 -0.241 0.000 1.008 663 T CA 0.054 61.787 62.100 -0.612 0.000 0.900 663 T CB -0.214 68.272 68.868 -0.637 0.000 1.084 663 T HN 0.610 nan 8.240 nan 0.000 0.538 664 D N 0.337 120.611 120.400 -0.210 0.000 2.623 664 D HA 0.348 4.987 4.640 -0.000 0.000 0.252 664 D C 1.352 177.719 176.300 0.112 0.000 1.294 664 D CA -0.234 53.743 54.000 -0.038 0.000 0.824 664 D CB -0.254 40.519 40.800 -0.045 0.000 1.070 664 D HN 0.387 nan 8.370 nan 0.000 0.487 665 G N -0.391 108.436 108.800 0.044 0.000 2.136 665 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.242 665 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.242 665 G C 1.119 176.128 174.900 0.182 0.000 0.989 665 G CA 0.253 45.498 45.100 0.241 0.000 0.682 665 G HN 1.447 nan 8.290 nan 0.000 0.522 666 G N -2.117 106.538 108.800 -0.241 0.000 2.141 666 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.231 666 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.231 666 G C 0.748 175.506 174.900 -0.238 0.000 0.984 666 G CA 0.827 45.614 45.100 -0.522 0.000 0.660 666 G HN 0.956 nan 8.290 nan 0.000 0.525 667 Y N 1.318 121.552 120.300 -0.111 0.000 2.337 667 Y HA 0.240 4.790 4.550 -0.000 0.000 0.293 667 Y C 2.076 177.943 175.900 -0.056 0.000 1.123 667 Y CA 1.812 59.902 58.100 -0.017 0.000 1.201 667 Y CB 0.400 38.860 38.460 0.000 0.000 1.011 667 Y HN 0.512 nan 8.280 nan 0.000 0.545 668 T N -2.462 112.059 114.554 -0.055 0.000 2.886 668 T HA 0.595 4.945 4.350 -0.000 0.000 0.292 668 T C -1.044 173.480 174.700 -0.293 0.000 1.012 668 T CA -0.676 61.386 62.100 -0.063 0.000 0.982 668 T CB 1.437 70.283 68.868 -0.036 0.000 1.018 668 T HN -0.129 nan 8.240 nan 0.000 0.451 669 F N 0.899 120.839 119.950 -0.017 0.000 2.532 669 F HA 0.560 5.087 4.527 -0.001 0.000 0.321 669 F C 0.413 176.270 175.800 0.095 0.000 1.089 669 F CA -0.881 57.136 58.000 0.029 0.000 0.926 669 F CB 2.210 41.290 39.000 0.133 0.000 1.168 669 F HN 0.750 nan 8.300 nan 0.000 0.459 670 E N 3.749 124.038 120.200 0.148 0.000 2.151 670 E HA 0.195 4.545 4.350 -0.000 0.000 0.275 670 E C -0.979 175.512 176.600 -0.183 0.000 0.936 670 E CA -0.806 55.578 56.400 -0.027 0.000 0.777 670 E CB 1.234 30.859 29.700 -0.124 0.000 1.108 670 E HN 0.535 nan 8.360 nan 0.000 0.401 671 K N 5.094 125.112 120.400 -0.637 0.000 2.312 671 K HA 0.124 4.443 4.320 -0.000 0.000 0.287 671 K C -0.629 175.645 176.600 -0.543 0.000 1.062 671 K CA -0.588 54.988 56.287 -1.185 0.000 0.934 671 K CB 0.400 31.837 32.500 -1.771 0.000 1.027 671 K HN 0.443 nan 8.250 nan 0.000 0.478 672 L N 4.208 125.219 121.223 -0.355 0.000 2.433 672 L HA -0.023 4.316 4.340 -0.000 0.000 0.275 672 L C 1.471 178.249 176.870 -0.154 0.000 1.128 672 L CA 0.566 55.329 54.840 -0.128 0.000 0.875 672 L CB 1.123 43.236 42.059 0.089 0.000 1.171 672 L HN 0.749 nan 8.230 nan 0.000 0.463 673 S N 0.987 116.617 115.700 -0.117 0.000 2.515 673 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 673 S C 1.157 175.709 174.600 -0.081 0.000 0.987 673 S CA 0.662 58.794 58.200 -0.113 0.000 0.936 673 S CB -0.437 62.709 63.200 -0.090 0.000 0.766 673 S HN 0.789 nan 8.310 nan 0.000 0.528 674 N N 0.879 119.558 118.700 -0.035 0.000 2.270 674 N HA 0.133 4.873 4.740 -0.000 0.000 0.198 674 N C -0.439 174.962 175.510 -0.182 0.000 1.117 674 N CA -0.204 52.826 53.050 -0.033 0.000 0.845 674 N CB 0.103 38.653 38.487 0.105 0.000 0.980 674 N HN 0.317 nan 8.380 nan 0.000 0.486 675 V N 0.836 120.607 119.914 -0.239 0.000 2.487 675 V HA 0.161 4.281 4.120 -0.000 0.000 0.298 675 V C 0.573 176.504 176.094 -0.272 0.000 1.028 675 V CA -0.805 61.257 62.300 -0.396 0.000 0.860 675 V CB 1.913 33.446 31.823 -0.483 0.000 0.991 675 V HN 0.096 nan 8.190 nan 0.000 0.427 676 D N 2.982 123.219 120.400 -0.271 0.000 2.106 676 D HA -0.022 4.618 4.640 -0.000 0.000 0.203 676 D C 0.356 176.556 176.300 -0.165 0.000 0.977 676 D CA 1.182 55.074 54.000 -0.180 0.000 0.844 676 D CB 0.733 41.442 40.800 -0.151 0.000 1.002 676 D HN 0.555 nan 8.370 nan 0.000 0.461 677 T N -0.120 114.312 114.554 -0.204 0.000 2.881 677 T HA 0.667 5.017 4.350 -0.000 0.000 0.290 677 T C -0.969 173.578 174.700 -0.254 0.000 1.000 677 T CA -0.615 61.351 62.100 -0.224 0.000 0.978 677 T CB 1.981 70.714 68.868 -0.226 0.000 0.997 677 T HN 0.184 nan 8.240 nan 0.000 0.443 678 A N 2.310 124.983 122.820 -0.245 0.000 2.457 678 A HA 0.522 4.842 4.320 -0.000 0.000 0.283 678 A C 0.503 177.994 177.584 -0.154 0.000 1.166 678 A CA -0.580 51.361 52.037 -0.160 0.000 0.740 678 A CB 0.465 19.424 19.000 -0.067 0.000 1.181 678 A HN 0.963 nan 8.150 nan 0.000 0.446 679 H N 1.195 120.279 119.070 0.024 0.000 2.372 679 H HA 0.077 4.633 4.556 -0.000 0.000 0.301 679 H C 0.851 176.184 175.328 0.009 0.000 1.065 679 H CA 2.337 58.391 56.048 0.010 0.000 1.364 679 H CB 0.339 30.102 29.762 0.002 0.000 1.406 679 H HN 0.671 nan 8.280 nan 0.000 0.521 680 V N -2.170 117.822 119.914 0.130 0.000 3.078 680 V HA 0.635 4.755 4.120 -0.000 0.000 0.311 680 V C -0.549 175.575 176.094 0.050 0.000 1.138 680 V CA -1.035 61.311 62.300 0.076 0.000 1.007 680 V CB 2.609 34.460 31.823 0.045 0.000 1.045 680 V HN -0.098 nan 8.190 nan 0.000 0.432 681 V N 1.382 121.306 119.914 0.016 0.000 2.760 681 V HA 1.026 5.146 4.120 -0.000 0.000 0.309 681 V C 0.144 176.073 176.094 -0.276 0.000 1.077 681 V CA 0.761 63.006 62.300 -0.093 0.000 0.910 681 V CB 1.689 33.502 31.823 -0.017 0.000 1.008 681 V HN 1.730 nan 8.190 nan 0.000 0.424 682 G N 4.279 112.788 108.800 -0.485 0.000 2.684 682 G HA2 0.772 4.732 3.960 -0.000 0.000 0.290 682 G HA3 0.772 4.732 3.960 -0.000 0.000 0.290 682 G C -2.057 172.402 174.900 -0.735 0.000 1.425 682 G CA -0.600 44.170 45.100 -0.551 0.000 0.822 682 G HN 0.563 nan 8.290 nan 0.000 0.482 683 F N -0.586 119.496 119.950 0.220 0.000 2.565 683 F HA 0.798 5.325 4.527 -0.000 0.000 0.313 683 F C 0.651 176.607 175.800 0.260 0.000 1.091 683 F CA -0.582 57.552 58.000 0.222 0.000 0.915 683 F CB 2.622 41.687 39.000 0.107 0.000 1.208 683 F HN 0.782 nan 8.300 nan 0.000 0.453 684 G N 0.658 109.761 108.800 0.505 0.000 2.818 684 G HA2 0.456 4.415 3.960 -0.000 0.000 0.286 684 G HA3 0.456 4.415 3.960 -0.000 0.000 0.286 684 G C -1.477 173.608 174.900 0.307 0.000 1.364 684 G CA -1.207 44.112 45.100 0.364 0.000 0.938 684 G HN 0.603 nan 8.290 nan 0.000 0.490 685 K N 0.135 120.682 120.400 0.245 0.000 2.543 685 K HA 0.279 4.599 4.320 -0.000 0.000 0.279 685 K C 0.794 177.589 176.600 0.326 0.000 1.001 685 K CA 0.221 56.651 56.287 0.238 0.000 1.088 685 K CB 0.144 32.781 32.500 0.228 0.000 0.863 685 K HN 0.637 nan 8.250 nan 0.000 0.488 686 A N 3.492 126.440 122.820 0.214 0.000 2.531 686 A HA 0.295 4.615 4.320 -0.000 0.000 0.236 686 A C 0.170 177.838 177.584 0.140 0.000 1.062 686 A CA 0.312 52.457 52.037 0.180 0.000 0.760 686 A CB 0.137 19.186 19.000 0.082 0.000 0.995 686 A HN 0.895 nan 8.150 nan 0.000 0.501 687 A N 3.716 126.560 122.820 0.040 0.000 2.466 687 A HA 0.491 4.811 4.320 -0.000 0.000 0.238 687 A C -2.150 175.279 177.584 -0.258 0.000 1.074 687 A CA -0.909 50.870 52.037 -0.430 0.000 0.774 687 A CB -0.745 18.082 19.000 -0.289 0.000 1.015 687 A HN 0.666 nan 8.150 nan 0.000 0.498 688 P HA 0.216 nan 4.420 nan 0.000 0.261 688 P C 0.916 178.157 177.300 -0.098 0.000 1.183 688 P CA 1.946 64.949 63.100 -0.161 0.000 0.761 688 P CB 0.391 31.995 31.700 -0.160 0.000 0.785 689 G N 1.428 110.194 108.800 -0.056 0.000 2.168 689 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.257 689 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.257 689 G C -0.041 174.849 174.900 -0.017 0.000 0.997 689 G CA -0.274 44.807 45.100 -0.031 0.000 0.708 689 G HN 0.532 nan 8.290 nan 0.000 0.520 690 Q N 0.257 120.050 119.800 -0.012 0.000 2.274 690 Q HA 0.392 4.732 4.340 -0.000 0.000 0.260 690 Q C 0.397 176.425 176.000 0.047 0.000 0.974 690 Q CA -0.212 55.604 55.803 0.021 0.000 0.876 690 Q CB 1.612 30.368 28.738 0.029 0.000 1.297 690 Q HN 0.496 nan 8.270 nan 0.000 0.446 691 D N 0.219 120.665 120.400 0.077 0.000 2.358 691 D HA 0.045 4.685 4.640 -0.000 0.000 0.224 691 D C -0.280 176.115 176.300 0.158 0.000 1.123 691 D CA 0.083 54.135 54.000 0.087 0.000 0.833 691 D CB 0.073 40.921 40.800 0.080 0.000 0.946 691 D HN 0.328 nan 8.370 nan 0.000 0.505 695 I N 1.672 122.111 120.570 -0.219 0.000 2.377 695 I HA 0.550 4.720 4.170 -0.000 0.000 0.293 695 I C -1.143 174.759 176.117 -0.358 0.000 0.987 695 I CA -0.593 60.595 61.300 -0.186 0.000 1.185 695 I CB 1.516 39.406 38.000 -0.183 0.000 1.341 695 I HN 0.639 nan 8.210 nan 0.000 0.455 696 Y N 6.319 126.631 120.300 0.020 0.000 2.376 696 Y HA 0.697 5.247 4.550 -0.000 0.000 0.340 696 Y C 0.028 175.974 175.900 0.076 0.000 0.965 696 Y CA -0.927 57.238 58.100 0.108 0.000 1.078 696 Y CB 1.824 40.306 38.460 0.036 0.000 1.193 696 Y HN 0.379 nan 8.280 nan 0.000 0.452 697 I N -0.643 120.109 120.570 0.303 0.000 2.969 697 I HA 0.886 5.056 4.170 -0.000 0.000 0.307 697 I C -0.687 175.573 176.117 0.240 0.000 1.149 697 I CA -0.996 60.413 61.300 0.182 0.000 1.008 697 I CB 2.699 40.728 38.000 0.048 0.000 1.232 697 I HN 0.555 nan 8.210 nan 0.000 0.435 698 T N 0.575 115.244 114.554 0.192 0.000 2.885 698 T HA 0.947 5.297 4.350 -0.000 0.000 0.285 698 T C 0.036 174.903 174.700 0.278 0.000 1.019 698 T CA 0.011 62.284 62.100 0.289 0.000 1.010 698 T CB 1.582 70.574 68.868 0.206 0.000 1.022 698 T HN 1.640 nan 8.240 nan 0.000 0.466 699 G N 1.255 110.262 108.800 0.347 0.000 2.384 699 G HA2 0.314 4.274 3.960 -0.000 0.000 0.113 699 G HA3 0.314 4.274 3.960 -0.000 0.000 0.113 699 G C -1.627 173.421 174.900 0.247 0.000 1.224 699 G CA -0.420 44.799 45.100 0.199 0.000 1.126 699 G HN 0.901 nan 8.290 nan 0.000 0.461 700 K N 0.038 120.457 120.400 0.032 0.000 2.513 700 K HA 0.731 5.051 4.320 -0.000 0.000 0.251 700 K C -1.504 174.899 176.600 -0.327 0.000 0.939 700 K CA -0.713 55.561 56.287 -0.022 0.000 0.793 700 K CB 1.525 34.019 32.500 -0.011 0.000 1.241 700 K HN 0.486 nan 8.250 nan 0.000 0.431 701 I N 3.352 123.625 120.570 -0.494 0.000 2.499 701 I HA 0.211 4.380 4.170 -0.000 0.000 0.288 701 I C -0.680 175.286 176.117 -0.253 0.000 1.048 701 I CA -0.757 60.202 61.300 -0.569 0.000 1.062 701 I CB 2.038 39.394 38.000 -1.073 0.000 1.238 701 I HN 0.811 nan 8.210 nan 0.000 0.426 702 D N 4.546 124.847 120.400 -0.166 0.000 2.686 702 D HA -0.237 4.403 4.640 -0.000 0.000 0.235 702 D C 0.337 176.621 176.300 -0.028 0.000 1.160 702 D CA 1.084 55.040 54.000 -0.073 0.000 0.645 702 D CB -1.026 39.747 40.800 -0.045 0.000 1.039 702 D HN 0.888 nan 8.370 nan 0.000 0.423 703 N N -2.371 116.313 118.700 -0.028 0.000 2.753 703 N HA -0.221 4.519 4.740 -0.000 0.000 0.251 703 N C -0.682 174.853 175.510 0.042 0.000 1.097 703 N CA 1.152 54.206 53.050 0.007 0.000 0.786 703 N CB -0.282 38.210 38.487 0.009 0.000 1.137 703 N HN 0.257 nan 8.380 nan 0.000 0.566 704 V N 1.358 121.317 119.914 0.075 0.000 2.384 704 V HA 0.404 4.524 4.120 -0.000 0.000 0.287 704 V C 0.513 176.751 176.094 0.240 0.000 1.020 704 V CA -0.702 61.688 62.300 0.150 0.000 0.850 704 V CB 1.576 33.521 31.823 0.204 0.000 0.987 704 V HN 0.091 nan 8.190 nan 0.000 0.436 705 L N 4.831 126.144 121.223 0.149 0.000 2.371 705 L HA 0.879 5.218 4.340 -0.000 0.000 0.272 705 L C 0.943 177.835 176.870 0.037 0.000 1.124 705 L CA 0.490 55.420 54.840 0.151 0.000 0.816 705 L CB 0.991 43.104 42.059 0.090 0.000 1.129 705 L HN 0.915 nan 8.230 nan 0.000 0.448 706 G N 1.397 110.208 108.800 0.018 0.000 2.404 706 G HA2 0.264 4.224 3.960 -0.000 0.000 0.253 706 G HA3 0.264 4.224 3.960 -0.000 0.000 0.253 706 G C -1.824 172.910 174.900 -0.276 0.000 1.253 706 G CA -0.788 44.053 45.100 -0.431 0.000 0.917 706 G HN 0.159 nan 8.290 nan 0.000 0.480 707 F N 0.238 119.822 119.950 -0.610 0.000 2.469 707 F HA 0.893 5.420 4.527 -0.001 0.000 0.332 707 F C -0.418 175.010 175.800 -0.620 0.000 1.103 707 F CA -1.869 55.910 58.000 -0.368 0.000 0.979 707 F CB 1.448 40.363 39.000 -0.141 0.000 1.137 707 F HN 0.294 nan 8.300 nan 0.000 0.463 708 F N 1.112 121.238 119.950 0.293 0.000 2.588 708 F HA 0.643 5.170 4.527 -0.000 0.000 0.310 708 F C -0.134 175.876 175.800 0.349 0.000 1.082 708 F CA -0.989 57.169 58.000 0.263 0.000 0.929 708 F CB 2.327 41.425 39.000 0.163 0.000 1.254 708 F HN 0.359 nan 8.300 nan 0.000 0.455 709 R N 0.972 121.752 120.500 0.467 0.000 2.670 709 R HA 0.724 5.064 4.340 -0.000 0.000 0.289 709 R C -1.373 174.949 176.300 0.036 0.000 0.965 709 R CA -0.486 55.682 56.100 0.113 0.000 0.899 709 R CB 2.050 32.311 30.300 -0.066 0.000 1.173 709 R HN 0.707 nan 8.270 nan 0.000 0.456 710 S N 1.586 117.042 115.700 -0.407 0.000 2.502 710 S HA 0.255 4.725 4.470 -0.000 0.000 0.304 710 S C -0.411 173.968 174.600 -0.368 0.000 1.097 710 S CA -0.736 57.056 58.200 -0.680 0.000 1.045 710 S CB 1.361 63.602 63.200 -1.598 0.000 1.019 710 S HN 0.704 nan 8.310 nan 0.000 0.481 711 D N 2.445 122.723 120.400 -0.204 0.000 2.349 711 D HA 0.088 4.728 4.640 -0.000 0.000 0.214 711 D C -0.293 175.977 176.300 -0.051 0.000 1.063 711 D CA 0.316 54.288 54.000 -0.047 0.000 0.847 711 D CB 0.369 41.193 40.800 0.039 0.000 0.933 711 D HN 0.736 nan 8.370 nan 0.000 0.513 712 D N -0.478 119.837 120.400 -0.143 0.000 2.945 712 D HA 0.347 4.987 4.640 -0.000 0.000 0.366 712 D C 0.648 176.857 176.300 -0.152 0.000 1.352 712 D CA -0.839 53.099 54.000 -0.104 0.000 0.810 712 D CB 0.213 40.954 40.800 -0.098 0.000 1.170 712 D HN -0.056 nan 8.370 nan 0.000 0.461 713 A N -0.095 122.625 122.820 -0.166 0.000 2.826 713 A HA 0.081 4.401 4.320 -0.000 0.000 0.274 713 A C 1.751 179.260 177.584 -0.125 0.000 1.443 713 A CA 1.381 53.243 52.037 -0.293 0.000 0.833 713 A CB -1.954 16.746 19.000 -0.499 0.000 1.023 713 A HN 1.734 nan 8.150 nan 0.000 0.600 714 G N -2.150 106.468 108.800 -0.303 0.000 2.176 714 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.232 714 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.232 714 G C 0.748 175.536 174.900 -0.186 0.000 0.986 714 G CA 1.162 46.087 45.100 -0.292 0.000 0.643 714 G HN 0.936 nan 8.290 nan 0.000 0.522 715 K N 0.173 120.460 120.400 -0.187 0.000 2.057 715 K HA 0.065 4.385 4.320 -0.000 0.000 0.207 715 K C 1.389 177.933 176.600 -0.093 0.000 1.049 715 K CA 1.679 57.911 56.287 -0.092 0.000 0.931 715 K CB -0.136 32.318 32.500 -0.078 0.000 0.714 715 K HN 0.708 nan 8.250 nan 0.000 0.440 716 T N -2.534 111.877 114.554 -0.238 0.000 2.903 716 T HA 0.510 4.860 4.350 -0.000 0.000 0.299 716 T C -1.416 173.059 174.700 -0.374 0.000 1.093 716 T CA -1.023 60.989 62.100 -0.147 0.000 1.002 716 T CB 1.264 70.101 68.868 -0.052 0.000 1.127 716 T HN 0.131 nan 8.240 nan 0.000 0.488 717 W N 0.953 122.267 121.300 0.024 0.000 2.844 717 W HA 0.673 5.333 4.660 -0.001 0.000 0.340 717 W C -0.691 175.894 176.519 0.109 0.000 1.093 717 W CA -0.915 56.463 57.345 0.054 0.000 1.212 717 W CB 2.117 31.577 29.460 -0.001 0.000 1.422 717 W HN 0.755 nan 8.180 nan 0.000 0.515 718 V N -0.127 120.028 119.914 0.401 0.000 2.735 718 V HA 0.615 4.735 4.120 -0.000 0.000 0.310 718 V C -0.306 176.032 176.094 0.405 0.000 1.061 718 V CA -1.685 60.814 62.300 0.332 0.000 0.913 718 V CB 1.636 33.584 31.823 0.209 0.000 1.005 718 V HN 0.651 nan 8.190 nan 0.000 0.428 719 R N 2.646 123.337 120.500 0.318 0.000 2.347 719 R HA 0.474 4.813 4.340 -0.000 0.000 0.304 719 R C 0.723 176.994 176.300 -0.048 0.000 1.072 719 R CA 0.101 56.220 56.100 0.032 0.000 0.980 719 R CB 0.927 31.219 30.300 -0.013 0.000 0.986 719 R HN 0.997 nan 8.270 nan 0.000 0.448 720 I N 0.644 121.116 120.570 -0.163 0.000 4.057 720 I HA 0.173 4.343 4.170 -0.000 0.000 0.334 720 I C 0.270 176.411 176.117 0.040 0.000 1.308 720 I CA -0.637 60.517 61.300 -0.243 0.000 1.125 720 I CB 0.002 37.610 38.000 -0.654 0.000 1.034 720 I HN 0.409 nan 8.210 nan 0.000 0.401 721 N N 2.094 120.723 118.700 -0.119 0.000 2.681 721 N HA 0.395 5.135 4.740 -0.000 0.000 0.311 721 N C -0.908 174.496 175.510 -0.176 0.000 1.303 721 N CA -0.144 52.768 53.050 -0.231 0.000 0.926 721 N CB 0.684 38.536 38.487 -1.057 0.000 1.136 721 N HN 0.307 nan 8.380 nan 0.000 0.592 722 D N -3.029 117.253 120.400 -0.198 0.000 2.759 722 D HA 0.277 4.917 4.640 -0.000 0.000 0.321 722 D C -0.348 175.868 176.300 -0.139 0.000 1.267 722 D CA -0.495 53.450 54.000 -0.090 0.000 0.933 722 D CB 0.074 40.906 40.800 0.053 0.000 1.431 722 D HN 0.260 nan 8.370 nan 0.000 0.504 723 D N -0.656 119.693 120.400 -0.085 0.000 2.264 723 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 723 D C 0.856 177.082 176.300 -0.123 0.000 0.966 723 D CA 1.056 54.999 54.000 -0.096 0.000 0.864 723 D CB 0.099 40.866 40.800 -0.055 0.000 0.933 723 D HN 0.415 nan 8.370 nan 0.000 0.499 724 E N -0.627 119.491 120.200 -0.137 0.000 2.478 724 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 724 E C -0.080 176.126 176.600 -0.658 0.000 1.045 724 E CA 0.413 56.628 56.400 -0.308 0.000 0.868 724 E CB 0.127 29.644 29.700 -0.304 0.000 0.885 724 E HN 0.374 nan 8.360 nan 0.000 0.505 725 H N -1.320 117.522 119.070 -0.380 0.000 2.336 725 H HA 0.392 4.948 4.556 -0.001 0.000 0.230 725 H C 0.928 175.771 175.328 -0.809 0.000 1.426 725 H CA -0.205 55.421 56.048 -0.705 0.000 1.359 725 H CB 1.007 30.412 29.762 -0.594 0.000 1.555 725 H HN 0.131 nan 8.280 nan 0.000 0.512 726 G N -0.336 108.122 108.800 -0.569 0.000 2.497 726 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.210 726 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.210 726 G C -0.114 174.803 174.900 0.028 0.000 1.177 726 G CA 0.076 45.005 45.100 -0.285 0.000 0.822 726 G HN 0.608 nan 8.290 nan 0.000 0.550 727 Y N -0.323 120.069 120.300 0.152 0.000 4.798 727 Y HA -0.182 4.368 4.550 -0.001 0.000 0.237 727 Y C 1.885 177.662 175.900 -0.205 0.000 1.017 727 Y CA 0.778 58.892 58.100 0.023 0.000 2.010 727 Y CB -1.675 36.802 38.460 0.028 0.000 1.582 727 Y HN 1.199 nan 8.280 nan 0.000 0.621 728 G N -0.449 108.416 108.800 0.109 0.000 2.514 728 G HA2 0.056 4.016 3.960 -0.000 0.000 0.265 728 G HA3 0.056 4.016 3.960 -0.000 0.000 0.265 728 G C 0.201 175.070 174.900 -0.052 0.000 1.150 728 G CA 0.194 45.352 45.100 0.097 0.000 0.959 728 G HN 1.542 nan 8.290 nan 0.000 0.556 729 A N 0.152 122.720 122.820 -0.420 0.000 2.396 729 A HA 0.628 4.947 4.320 -0.000 0.000 0.279 729 A C 0.872 178.252 177.584 -0.341 0.000 1.165 729 A CA 0.826 52.528 52.037 -0.558 0.000 0.824 729 A CB 0.270 18.579 19.000 -1.152 0.000 1.100 729 A HN 2.264 nan 8.150 nan 0.000 0.516 730 V N 0.795 120.576 119.914 -0.223 0.000 2.711 730 V HA 0.326 4.446 4.120 -0.000 0.000 0.335 730 V C -0.378 175.632 176.094 -0.141 0.000 1.235 730 V CA -0.065 62.138 62.300 -0.163 0.000 1.250 730 V CB 0.182 31.941 31.823 -0.108 0.000 1.469 730 V HN 0.760 nan 8.190 nan 0.000 0.646 731 D N -0.616 119.670 120.400 -0.190 0.000 2.593 731 D HA 0.098 4.737 4.640 -0.000 0.000 0.241 731 D C 1.146 177.391 176.300 -0.091 0.000 1.257 731 D CA 0.667 54.582 54.000 -0.141 0.000 0.828 731 D CB 0.579 41.193 40.800 -0.310 0.000 1.049 731 D HN 0.545 nan 8.370 nan 0.000 0.490 732 T N -3.427 111.072 114.554 -0.091 0.000 3.026 732 T HA 0.577 4.927 4.350 -0.000 0.000 0.245 732 T C 0.786 175.466 174.700 -0.034 0.000 1.004 732 T CA 0.457 62.518 62.100 -0.065 0.000 1.069 732 T CB 0.537 69.356 68.868 -0.082 0.000 1.005 732 T HN 0.295 nan 8.240 nan 0.000 0.472 733 A N 0.237 123.033 122.820 -0.039 0.000 2.577 733 A HA 0.761 5.081 4.320 -0.000 0.000 0.297 733 A C -1.817 175.751 177.584 -0.026 0.000 1.060 733 A CA -0.795 51.232 52.037 -0.016 0.000 0.697 733 A CB 1.205 20.201 19.000 -0.007 0.000 1.281 733 A HN 0.550 nan 8.150 nan 0.000 0.402 734 I N 0.897 121.464 120.570 -0.006 0.000 2.692 734 I HA 0.762 4.932 4.170 -0.000 0.000 0.293 734 I C -0.908 175.221 176.117 0.019 0.000 1.200 734 I CA 0.019 61.312 61.300 -0.011 0.000 1.036 734 I CB 2.397 40.379 38.000 -0.029 0.000 1.258 734 I HN 0.803 nan 8.210 nan 0.000 0.421 735 T N 4.307 118.890 114.554 0.049 0.000 2.956 735 T HA 0.642 4.992 4.350 -0.000 0.000 0.312 735 T C -0.160 174.561 174.700 0.036 0.000 1.151 735 T CA -0.045 62.105 62.100 0.084 0.000 1.024 735 T CB 1.348 70.304 68.868 0.147 0.000 1.140 735 T HN 0.831 nan 8.240 nan 0.000 0.473 736 G N 1.473 110.274 108.800 0.001 0.000 2.553 736 G HA2 0.418 4.378 3.960 -0.000 0.000 0.278 736 G HA3 0.418 4.378 3.960 -0.000 0.000 0.278 736 G C -0.800 174.164 174.900 0.106 0.000 1.349 736 G CA -0.207 44.809 45.100 -0.139 0.000 1.037 736 G HN 0.681 nan 8.290 nan 0.000 0.508 737 D N -0.599 119.844 120.400 0.073 0.000 2.425 737 D HA 0.298 4.938 4.640 -0.000 0.000 0.240 737 D C -1.509 174.871 176.300 0.135 0.000 1.080 737 D CA -1.996 52.104 54.000 0.167 0.000 0.836 737 D CB 2.341 43.221 40.800 0.135 0.000 1.125 737 D HN -0.002 nan 8.370 nan 0.000 0.525 738 P HA -0.036 nan 4.420 nan 0.000 0.228 738 P C 0.800 178.159 177.300 0.099 0.000 1.151 738 P CA 0.578 63.753 63.100 0.125 0.000 0.770 738 P CB 0.614 32.381 31.700 0.110 0.000 0.786 739 R N -1.000 119.551 120.500 0.084 0.000 2.335 739 R HA 0.227 4.567 4.340 -0.000 0.000 0.210 739 R C -0.018 176.326 176.300 0.073 0.000 0.892 739 R CA 0.158 56.299 56.100 0.068 0.000 1.048 739 R CB 0.886 31.213 30.300 0.046 0.000 1.067 739 R HN 0.007 nan 8.270 nan 0.000 0.524 740 V N 1.462 121.420 119.914 0.074 0.000 2.409 740 V HA 0.148 4.268 4.120 -0.000 0.000 0.290 740 V C -0.903 175.230 176.094 0.065 0.000 1.017 740 V CA -1.195 61.139 62.300 0.057 0.000 0.841 740 V CB 1.107 32.934 31.823 0.006 0.000 1.003 740 V HN 0.086 nan 8.190 nan 0.000 0.426 741 Y N 4.165 124.488 120.300 0.037 0.000 2.610 741 Y HA 0.428 4.977 4.550 -0.001 0.000 0.332 741 Y C 1.347 177.281 175.900 0.055 0.000 1.201 741 Y CA 1.552 59.691 58.100 0.066 0.000 1.465 741 Y CB 0.832 39.323 38.460 0.052 0.000 1.283 741 Y HN 0.973 nan 8.280 nan 0.000 0.563 742 G N 4.482 112.632 108.800 -1.083 0.000 2.299 742 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.237 742 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.237 742 G C 0.573 175.308 174.900 -0.275 0.000 1.027 742 G CA 0.163 44.842 45.100 -0.701 0.000 0.619 742 G HN 0.835 nan 8.290 nan 0.000 0.513 743 R N 0.392 120.703 120.500 -0.315 0.000 2.491 743 R HA 0.555 4.895 4.340 -0.000 0.000 0.283 743 R C -0.649 175.301 176.300 -0.584 0.000 1.072 743 R CA 0.310 56.180 56.100 -0.384 0.000 1.048 743 R CB 0.984 31.078 30.300 -0.343 0.000 0.983 743 R HN 0.446 nan 8.270 nan 0.000 0.450 744 V N 5.798 125.332 119.914 -0.635 0.000 2.841 744 V HA 0.459 4.579 4.120 -0.000 0.000 0.310 744 V C -1.785 174.012 176.094 -0.494 0.000 1.090 744 V CA -0.676 61.218 62.300 -0.677 0.000 0.930 744 V CB 1.874 33.275 31.823 -0.702 0.000 1.014 744 V HN 0.755 nan 8.190 nan 0.000 0.425 745 Y N 5.906 126.134 120.300 -0.120 0.000 2.364 745 Y HA 0.720 5.270 4.550 -0.001 0.000 0.340 745 Y C 0.115 175.964 175.900 -0.085 0.000 0.975 745 Y CA -0.789 57.283 58.100 -0.047 0.000 1.089 745 Y CB 1.746 40.163 38.460 -0.072 0.000 1.192 745 Y HN 0.423 nan 8.280 nan 0.000 0.454 746 I N 2.790 123.386 120.570 0.043 0.000 2.436 746 I HA 0.591 4.760 4.170 -0.000 0.000 0.289 746 I C -0.340 175.714 176.117 -0.106 0.000 1.010 746 I CA -1.118 60.116 61.300 -0.111 0.000 1.098 746 I CB 1.848 39.640 38.000 -0.347 0.000 1.266 746 I HN 0.740 nan 8.210 nan 0.000 0.434 747 A N 4.385 127.146 122.820 -0.100 0.000 2.409 747 A HA 0.594 4.913 4.320 -0.000 0.000 0.262 747 A C 0.293 177.798 177.584 -0.132 0.000 1.113 747 A CA -0.120 51.861 52.037 -0.094 0.000 0.790 747 A CB 0.148 19.105 19.000 -0.071 0.000 1.046 747 A HN 0.760 nan 8.150 nan 0.000 0.496 748 T N -0.312 114.168 114.554 -0.123 0.000 2.949 748 T HA 0.458 4.808 4.350 -0.000 0.000 0.287 748 T C -0.140 174.486 174.700 -0.122 0.000 1.034 748 T CA -0.873 61.143 62.100 -0.140 0.000 1.018 748 T CB 1.310 70.104 68.868 -0.123 0.000 1.135 748 T HN 0.410 nan 8.240 nan 0.000 0.532 749 N N 0.096 118.697 118.700 -0.165 0.000 3.228 749 N HA 0.397 5.137 4.740 -0.000 0.000 0.289 749 N C 0.855 176.401 175.510 0.059 0.000 1.419 749 N CA 0.502 53.496 53.050 -0.093 0.000 1.088 749 N CB -0.232 38.107 38.487 -0.248 0.000 1.357 749 N HN 1.168 nan 8.380 nan 0.000 0.504 750 G N 1.441 110.266 108.800 0.042 0.000 2.227 750 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.168 750 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.168 750 G C 0.604 175.548 174.900 0.073 0.000 1.006 750 G CA -0.472 44.679 45.100 0.086 0.000 0.684 750 G HN 0.380 nan 8.290 nan 0.000 0.489 751 R N 0.691 121.204 120.500 0.023 0.000 2.629 751 R HA 0.467 4.807 4.340 -0.000 0.000 0.386 751 R C 1.379 177.697 176.300 0.031 0.000 1.071 751 R CA 0.753 56.892 56.100 0.065 0.000 1.104 751 R CB 0.195 30.543 30.300 0.080 0.000 1.370 751 R HN 1.407 nan 8.270 nan 0.000 0.574 752 G N 1.488 110.300 108.800 0.020 0.000 2.552 752 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.265 752 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.265 752 G C -0.140 174.734 174.900 -0.042 0.000 1.234 752 G CA -0.351 44.751 45.100 0.002 0.000 0.944 752 G HN 0.229 nan 8.290 nan 0.000 0.568 753 I N 1.208 121.752 120.570 -0.043 0.000 2.315 753 I HA 0.499 4.669 4.170 -0.000 0.000 0.291 753 I C 0.858 176.957 176.117 -0.030 0.000 1.006 753 I CA -0.834 60.434 61.300 -0.054 0.000 1.265 753 I CB 1.442 39.385 38.000 -0.095 0.000 1.387 753 I HN 0.686 nan 8.210 nan 0.000 0.475 754 V N 4.927 124.804 119.914 -0.061 0.000 2.630 754 V HA 0.665 4.785 4.120 -0.000 0.000 0.305 754 V C -0.920 175.311 176.094 0.228 0.000 1.046 754 V CA -0.614 61.669 62.300 -0.027 0.000 0.934 754 V CB 1.427 32.982 31.823 -0.447 0.000 1.003 754 V HN 0.708 nan 8.190 nan 0.000 0.451 755 Y N 1.255 121.615 120.300 0.101 0.000 2.524 755 Y HA 0.968 5.518 4.550 -0.001 0.000 0.347 755 Y C -0.160 175.644 175.900 -0.159 0.000 1.005 755 Y CA -0.638 57.448 58.100 -0.025 0.000 1.025 755 Y CB 1.969 40.325 38.460 -0.173 0.000 1.275 755 Y HN 1.037 nan 8.280 nan 0.000 0.460 756 G N 1.920 110.318 108.800 -0.669 0.000 2.524 756 G HA2 0.632 4.591 3.960 -0.000 0.000 0.310 756 G HA3 0.632 4.591 3.960 -0.000 0.000 0.310 756 G C -1.859 172.618 174.900 -0.706 0.000 1.279 756 G CA -0.992 43.315 45.100 -1.321 0.000 0.974 756 G HN 0.726 nan 8.290 nan 0.000 0.484 757 E N 0.996 120.690 120.200 -0.843 0.000 2.367 757 E HA 0.349 4.699 4.350 -0.000 0.000 0.273 757 E C -2.687 173.090 176.600 -1.371 0.000 0.903 757 E CA -1.920 53.960 56.400 -0.866 0.000 0.764 757 E CB 3.282 32.688 29.700 -0.490 0.000 1.252 757 E HN 0.202 nan 8.360 nan 0.000 0.446 758 P HA -0.053 nan 4.420 nan 0.000 0.264 758 P C -1.126 175.873 177.300 -0.502 0.000 1.183 758 P CA 0.250 62.775 63.100 -0.959 0.000 0.763 758 P CB 0.416 31.853 31.700 -0.437 0.000 0.807 759 A N 3.394 126.015 122.820 -0.331 0.000 2.454 759 A HA 0.426 4.746 4.320 -0.000 0.000 0.260 759 A C 0.709 178.221 177.584 -0.121 0.000 1.106 759 A CA 0.050 51.972 52.037 -0.192 0.000 0.780 759 A CB -0.350 18.588 19.000 -0.105 0.000 1.044 759 A HN 0.575 nan 8.150 nan 0.000 0.498 760 S N 0.000 115.636 115.700 -0.106 0.000 2.498 760 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 760 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 760 S CB 0.000 63.160 63.200 -0.066 0.000 0.593 760 S HN 0.000 nan 8.310 nan 0.000 0.517