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 1cf3_1_A DATA FIRST_RESID 3 DATA SEQUENCE GIEASLLTDP KDVSGRTVDY IIAGGGLTGL TTAARLTENP NISVLVIESG DATA SEQUENCE SYESDRGPII EDLNAYGDIF GSSVDHAYET VELATNNQTA LIRSGNGLGG DATA SEQUENCE STLVNGGTWT RPHKAQVDSW ETVFGNEGWN WDNVAAYSLQ AERARAPNAK DATA SEQUENCE QIAAGHYFNA ScHGVNGTVH AGPRDTGDDY SPIVKALMSA VEDRGVPTKK DATA SEQUENCE DFGcGDPHGV SMFPNTLHED QVRSDAAREW LLPNYQRPNL QVLTGQYVGK DATA SEQUENCE VLLSQNGTTP RAVGVEFGTH KGNTHNVYAK HEVLLAAGSA VSPTILEYSG DATA SEQUENCE IGMKSILEPL GIDTVVDLPV GLNLQDQTTA TVRSRITSAG AGQGQAAWFA DATA SEQUENCE TFNETFGDYS EKAHELLNTK LEQWAEEAVA RGGFHNTTAL LIQYENYRDW DATA SEQUENCE IVNHNVAYSE LFLDTAGVAS FDVWDLLPFT RGYVHILDKD PYLHHFAYDP DATA SEQUENCE QYFLNELDLL GQAAATQLAR NISNSGAMQT YFAGETIPGD NLAYDADLSA DATA SEQUENCE WTEYIPYHFR PNYHGVGTCS MMPKEMGGVV DNAARVYGVQ GLRVIDGSIP DATA SEQUENCE PTQMSSHVMT VFYAMALKIS DAILEDYASM Q 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 3 G C 0.000 174.683 174.900 -0.362 0.000 0.946 3 G CA 0.000 45.046 45.100 -0.090 0.000 0.502 4 I N 0.079 120.132 120.570 -0.862 0.000 2.194 4 I HA -0.164 4.008 4.170 0.002 0.000 0.246 4 I C 2.416 178.137 176.117 -0.660 0.000 1.093 4 I CA 1.997 62.533 61.300 -1.275 0.000 1.355 4 I CB 0.077 37.282 38.000 -1.325 0.000 1.046 4 I HN 0.680 nan 8.210 nan 0.000 0.413 5 E N 0.848 120.753 120.200 -0.493 0.000 2.097 5 E HA -0.289 4.062 4.350 0.002 0.000 0.196 5 E C 2.184 178.685 176.600 -0.165 0.000 1.000 5 E CA 1.604 57.840 56.400 -0.274 0.000 0.804 5 E CB -0.320 29.294 29.700 -0.143 0.000 0.740 5 E HN 0.706 nan 8.360 nan 0.000 0.454 6 A N 1.305 124.044 122.820 -0.135 0.000 2.015 6 A HA -0.137 4.184 4.320 0.002 0.000 0.219 6 A C 2.310 179.869 177.584 -0.042 0.000 1.163 6 A CA 1.737 53.735 52.037 -0.064 0.000 0.646 6 A CB -0.358 18.622 19.000 -0.033 0.000 0.806 6 A HN 0.317 nan 8.150 nan 0.000 0.448 7 S N -0.580 115.086 115.700 -0.055 0.000 2.496 7 S HA 0.198 4.670 4.470 0.002 0.000 0.224 7 S C 0.627 175.217 174.600 -0.015 0.000 0.996 7 S CA -0.229 57.979 58.200 0.012 0.000 0.927 7 S CB -0.636 62.649 63.200 0.141 0.000 0.774 7 S HN 0.371 nan 8.310 nan 0.000 0.524 8 L N 2.175 123.359 121.223 -0.066 0.000 2.426 8 L HA 0.368 4.710 4.340 0.002 0.000 0.271 8 L C -0.056 176.796 176.870 -0.031 0.000 1.169 8 L CA -0.538 54.273 54.840 -0.049 0.000 0.836 8 L CB 0.506 42.525 42.059 -0.067 0.000 1.112 8 L HN 0.198 nan 8.230 nan 0.000 0.465 9 L N 2.383 123.589 121.223 -0.027 0.000 2.350 9 L HA 0.340 4.681 4.340 0.002 0.000 0.275 9 L C 0.983 177.834 176.870 -0.032 0.000 1.099 9 L CA -0.152 54.671 54.840 -0.028 0.000 0.808 9 L CB 1.272 43.310 42.059 -0.034 0.000 1.149 9 L HN 0.805 nan 8.230 nan 0.000 0.442 10 T N -4.209 110.331 114.554 -0.022 0.000 2.966 10 T HA 0.079 4.430 4.350 0.002 0.000 0.254 10 T C 0.261 174.957 174.700 -0.006 0.000 0.961 10 T CA -0.322 61.770 62.100 -0.014 0.000 0.915 10 T CB 0.282 69.148 68.868 -0.004 0.000 1.186 10 T HN 0.433 nan 8.240 nan 0.000 0.505 11 D N 3.213 123.607 120.400 -0.010 0.000 2.280 11 D HA 0.285 4.927 4.640 0.002 0.000 0.243 11 D C -1.525 174.760 176.300 -0.025 0.000 1.129 11 D CA -2.237 51.757 54.000 -0.010 0.000 0.848 11 D CB 2.242 43.038 40.800 -0.006 0.000 1.107 11 D HN -0.032 nan 8.370 nan 0.000 0.471 12 P HA -0.137 nan 4.420 nan 0.000 0.218 12 P C 0.969 178.183 177.300 -0.144 0.000 1.148 12 P CA 0.855 63.894 63.100 -0.102 0.000 0.822 12 P CB 0.421 31.855 31.700 -0.442 0.000 0.784 13 K N -0.317 120.010 120.400 -0.122 0.000 2.439 13 K HA -0.060 4.262 4.320 0.002 0.000 0.197 13 K C 1.167 177.770 176.600 0.005 0.000 1.041 13 K CA 0.763 57.023 56.287 -0.044 0.000 0.970 13 K CB -0.554 31.938 32.500 -0.013 0.000 0.773 13 K HN 0.178 nan 8.250 nan 0.000 0.479 14 D N 0.182 120.584 120.400 0.004 0.000 2.317 14 D HA -0.085 4.556 4.640 0.002 0.000 0.211 14 D C 1.661 177.980 176.300 0.031 0.000 0.966 14 D CA 0.702 54.711 54.000 0.015 0.000 0.876 14 D CB 0.449 41.251 40.800 0.003 0.000 0.927 14 D HN 0.154 nan 8.370 nan 0.000 0.519 15 V N -3.544 116.402 119.914 0.053 0.000 3.539 15 V HA 0.226 4.348 4.120 0.002 0.000 0.262 15 V C 0.879 177.063 176.094 0.150 0.000 1.381 15 V CA -0.348 62.000 62.300 0.080 0.000 1.060 15 V CB 0.265 32.105 31.823 0.027 0.000 0.842 15 V HN -0.084 nan 8.190 nan 0.000 0.445 16 S N 1.479 117.279 115.700 0.167 0.000 2.626 16 S HA 0.371 4.842 4.470 0.002 0.000 0.303 16 S C 1.605 176.294 174.600 0.149 0.000 1.256 16 S CA 1.409 59.708 58.200 0.165 0.000 1.069 16 S CB -0.234 63.025 63.200 0.097 0.000 0.807 16 S HN 2.157 nan 8.310 nan 0.000 0.500 17 G N 4.793 113.700 108.800 0.179 0.000 2.245 17 G HA2 -0.268 3.693 3.960 0.002 0.000 0.264 17 G HA3 -0.268 3.693 3.960 0.002 0.000 0.264 17 G C 0.332 175.390 174.900 0.264 0.000 0.985 17 G CA 0.499 45.752 45.100 0.255 0.000 0.625 17 G HN 0.767 nan 8.290 nan 0.000 0.536 18 R N 0.087 120.705 120.500 0.197 0.000 2.738 18 R HA 0.550 4.891 4.340 0.002 0.000 0.275 18 R C -0.281 176.145 176.300 0.210 0.000 1.121 18 R CA 0.557 56.755 56.100 0.164 0.000 1.207 18 R CB 0.329 30.696 30.300 0.113 0.000 1.141 18 R HN 0.166 nan 8.270 nan 0.000 0.571 19 T N 1.179 115.826 114.554 0.154 0.000 2.848 19 T HA 0.426 4.778 4.350 0.002 0.000 0.285 19 T C -0.566 174.197 174.700 0.106 0.000 0.995 19 T CA -0.734 61.458 62.100 0.153 0.000 0.970 19 T CB 1.504 70.438 68.868 0.111 0.000 0.976 19 T HN 0.440 nan 8.240 nan 0.000 0.441 20 V N 0.486 120.460 119.914 0.100 0.000 3.155 20 V HA 0.647 4.769 4.120 0.002 0.000 0.313 20 V C 0.427 176.562 176.094 0.069 0.000 1.162 20 V CA -0.843 61.508 62.300 0.085 0.000 1.048 20 V CB 1.784 33.657 31.823 0.084 0.000 1.092 20 V HN 0.579 nan 8.190 nan 0.000 0.447 21 D N -0.415 120.034 120.400 0.081 0.000 2.077 21 D HA 0.033 4.674 4.640 0.002 0.000 0.196 21 D C -0.155 175.997 176.300 -0.246 0.000 0.986 21 D CA 2.309 56.314 54.000 0.010 0.000 0.829 21 D CB -0.073 40.785 40.800 0.096 0.000 0.983 21 D HN 0.657 nan 8.370 nan 0.000 0.453 22 Y N -0.640 119.719 120.300 0.097 0.000 2.446 22 Y HA 0.492 5.044 4.550 0.002 0.000 0.345 22 Y C -0.020 175.908 175.900 0.047 0.000 0.984 22 Y CA -0.768 57.375 58.100 0.071 0.000 1.058 22 Y CB 1.916 40.390 38.460 0.023 0.000 1.220 22 Y HN -0.269 nan 8.280 nan 0.000 0.455 23 I N 4.431 125.110 120.570 0.182 0.000 2.378 23 I HA 0.396 4.567 4.170 0.002 0.000 0.291 23 I C -0.787 175.388 176.117 0.097 0.000 0.992 23 I CA -0.474 60.891 61.300 0.108 0.000 1.154 23 I CB 1.289 39.334 38.000 0.075 0.000 1.315 23 I HN 0.443 nan 8.210 nan 0.000 0.448 24 I N 6.017 126.622 120.570 0.060 0.000 2.355 24 I HA 0.409 4.580 4.170 0.002 0.000 0.288 24 I C 0.282 176.411 176.117 0.020 0.000 0.999 24 I CA -0.516 60.805 61.300 0.035 0.000 1.163 24 I CB 1.609 39.618 38.000 0.016 0.000 1.316 24 I HN 0.586 nan 8.210 nan 0.000 0.454 25 A N 5.572 128.407 122.820 0.025 0.000 2.343 25 A HA 0.713 5.034 4.320 0.002 0.000 0.305 25 A C 0.537 178.133 177.584 0.019 0.000 1.308 25 A CA -0.005 52.048 52.037 0.028 0.000 0.949 25 A CB -0.224 18.805 19.000 0.050 0.000 1.148 25 A HN 1.057 nan 8.150 nan 0.000 0.545 26 G N 1.128 109.936 108.800 0.014 0.000 3.326 26 G HA2 0.353 4.314 3.960 0.002 0.000 0.681 26 G HA3 0.353 4.314 3.960 0.002 0.000 0.681 26 G C 0.131 175.043 174.900 0.020 0.000 1.255 26 G CA -0.291 44.820 45.100 0.019 0.000 0.976 26 G HN 1.558 nan 8.290 nan 0.000 0.563 27 G N 0.750 109.569 108.800 0.031 0.000 4.084 27 G HA2 0.664 4.626 3.960 0.002 0.000 0.293 27 G HA3 0.664 4.626 3.960 0.002 0.000 0.293 27 G C 0.840 175.782 174.900 0.070 0.000 1.303 27 G CA 0.887 46.015 45.100 0.046 0.000 1.289 27 G HN 1.214 nan 8.290 nan 0.000 0.609 28 G N -0.338 108.500 108.800 0.063 0.000 2.695 28 G HA2 0.366 4.327 3.960 0.002 0.000 0.213 28 G HA3 0.366 4.327 3.960 0.002 0.000 0.213 28 G C 1.088 176.036 174.900 0.080 0.000 1.406 28 G CA -0.458 44.692 45.100 0.083 0.000 1.049 28 G HN 0.268 nan 8.290 nan 0.000 0.573 29 L N -0.147 121.120 121.223 0.073 0.000 1.955 29 L HA -0.117 4.224 4.340 0.002 0.000 0.213 29 L C 3.227 180.067 176.870 -0.049 0.000 1.072 29 L CA 2.900 57.753 54.840 0.022 0.000 0.755 29 L CB -0.538 41.476 42.059 -0.074 0.000 0.888 29 L HN 0.706 nan 8.230 nan 0.000 0.432 30 T N -3.421 111.097 114.554 -0.060 0.000 2.857 30 T HA -0.052 4.299 4.350 0.002 0.000 0.266 30 T C 1.878 176.519 174.700 -0.099 0.000 1.048 30 T CA 0.763 62.802 62.100 -0.103 0.000 1.139 30 T CB -1.196 67.596 68.868 -0.125 0.000 0.874 30 T HN 0.479 nan 8.240 nan 0.000 0.455 31 G N 1.790 110.557 108.800 -0.055 0.000 2.421 31 G HA2 -0.047 3.915 3.960 0.002 0.000 0.216 31 G HA3 -0.047 3.915 3.960 0.002 0.000 0.216 31 G C 1.553 176.428 174.900 -0.042 0.000 1.171 31 G CA 0.793 45.868 45.100 -0.042 0.000 0.775 31 G HN 0.524 nan 8.290 nan 0.000 0.543 32 L N 0.348 121.564 121.223 -0.013 0.000 2.156 32 L HA -0.031 4.311 4.340 0.002 0.000 0.208 32 L C 3.130 179.938 176.870 -0.103 0.000 1.095 32 L CA 1.259 56.112 54.840 0.022 0.000 0.770 32 L CB -0.694 41.449 42.059 0.140 0.000 0.914 32 L HN 0.169 nan 8.230 nan 0.000 0.439 33 T N -0.938 113.413 114.554 -0.338 0.000 2.708 33 T HA -0.163 4.188 4.350 0.002 0.000 0.266 33 T C 1.935 176.363 174.700 -0.453 0.000 1.037 33 T CA 1.949 63.548 62.100 -0.835 0.000 1.146 33 T CB -0.243 68.144 68.868 -0.803 0.000 0.865 33 T HN 0.327 nan 8.240 nan 0.000 0.435 34 T N 2.125 116.521 114.554 -0.263 0.000 2.708 34 T HA -0.050 4.302 4.350 0.002 0.000 0.266 34 T C 2.407 177.026 174.700 -0.134 0.000 1.037 34 T CA 1.221 63.211 62.100 -0.183 0.000 1.146 34 T CB -0.611 68.168 68.868 -0.149 0.000 0.865 34 T HN 0.425 nan 8.240 nan 0.000 0.435 35 A N 1.516 124.285 122.820 -0.084 0.000 1.908 35 A HA 0.103 4.424 4.320 0.002 0.000 0.218 35 A C 2.655 180.241 177.584 0.003 0.000 1.181 35 A CA 1.965 53.983 52.037 -0.032 0.000 0.627 35 A CB -1.161 17.846 19.000 0.011 0.000 0.818 35 A HN 0.519 nan 8.150 nan 0.000 0.445 36 A N -0.369 122.482 122.820 0.052 0.000 1.902 36 A HA -0.130 4.192 4.320 0.002 0.000 0.217 36 A C 2.184 179.830 177.584 0.103 0.000 1.181 36 A CA 2.123 54.248 52.037 0.146 0.000 0.623 36 A CB -0.445 18.779 19.000 0.372 0.000 0.818 36 A HN 0.465 nan 8.150 nan 0.000 0.443 37 R N 0.190 120.713 120.500 0.038 0.000 2.073 37 R HA -0.015 4.327 4.340 0.002 0.000 0.234 37 R C 1.871 178.149 176.300 -0.036 0.000 1.134 37 R CA 1.762 57.873 56.100 0.018 0.000 0.952 37 R CB -0.874 29.402 30.300 -0.039 0.000 0.850 37 R HN 0.502 nan 8.270 nan 0.000 0.433 38 L N 0.110 121.273 121.223 -0.099 0.000 2.141 38 L HA -0.075 4.266 4.340 0.002 0.000 0.209 38 L C 1.697 178.497 176.870 -0.117 0.000 1.094 38 L CA 1.740 56.479 54.840 -0.168 0.000 0.763 38 L CB -0.622 41.272 42.059 -0.275 0.000 0.908 38 L HN 0.428 nan 8.230 nan 0.000 0.437 39 T N -4.798 109.726 114.554 -0.051 0.000 3.219 39 T HA 0.022 4.373 4.350 0.002 0.000 0.249 39 T C 1.271 175.967 174.700 -0.006 0.000 1.099 39 T CA -0.008 62.078 62.100 -0.023 0.000 0.988 39 T CB 0.090 68.963 68.868 0.008 0.000 0.999 39 T HN 0.284 nan 8.240 nan 0.000 0.550 40 E N 1.508 121.705 120.200 -0.004 0.000 2.150 40 E HA -0.036 4.316 4.350 0.002 0.000 0.193 40 E C 0.889 177.488 176.600 -0.003 0.000 0.985 40 E CA 0.299 56.705 56.400 0.011 0.000 0.814 40 E CB 0.057 29.772 29.700 0.025 0.000 0.752 40 E HN 0.412 nan 8.360 nan 0.000 0.466 41 N N 1.025 119.709 118.700 -0.026 0.000 2.401 41 N HA 0.005 4.746 4.740 0.002 0.000 0.255 41 N C -1.919 173.580 175.510 -0.019 0.000 1.110 41 N CA -1.621 51.414 53.050 -0.025 0.000 0.949 41 N CB 1.160 39.608 38.487 -0.065 0.000 1.110 41 N HN -0.112 nan 8.380 nan 0.000 0.490 42 P HA -0.080 nan 4.420 nan 0.000 0.225 42 P C 0.360 177.676 177.300 0.025 0.000 1.148 42 P CA 0.957 64.066 63.100 0.014 0.000 0.779 42 P CB 0.474 32.186 31.700 0.019 0.000 0.780 43 N N -0.137 118.585 118.700 0.036 0.000 2.446 43 N HA 0.030 4.771 4.740 0.002 0.000 0.179 43 N C 0.858 176.404 175.510 0.060 0.000 1.054 43 N CA 0.438 53.532 53.050 0.073 0.000 0.905 43 N CB 0.105 38.673 38.487 0.136 0.000 0.973 43 N HN 0.294 nan 8.380 nan 0.000 0.448 44 I N 1.563 122.117 120.570 -0.026 0.000 2.325 44 I HA 0.045 4.216 4.170 0.002 0.000 0.291 44 I C 0.326 176.458 176.117 0.026 0.000 1.019 44 I CA -0.440 60.827 61.300 -0.056 0.000 1.302 44 I CB 1.062 38.918 38.000 -0.239 0.000 1.401 44 I HN -0.075 nan 8.210 nan 0.000 0.485 45 S N 6.236 121.985 115.700 0.082 0.000 2.480 45 S HA 0.719 5.191 4.470 0.002 0.000 0.286 45 S C -0.579 174.093 174.600 0.121 0.000 1.180 45 S CA -0.659 57.592 58.200 0.086 0.000 1.075 45 S CB 1.600 64.850 63.200 0.083 0.000 0.996 45 S HN 0.320 nan 8.310 nan 0.000 0.487 46 V N 3.773 123.742 119.914 0.092 0.000 2.656 46 V HA 0.593 4.714 4.120 0.002 0.000 0.307 46 V C -0.828 175.306 176.094 0.068 0.000 1.051 46 V CA -0.828 61.534 62.300 0.103 0.000 0.893 46 V CB 1.679 33.542 31.823 0.067 0.000 0.999 46 V HN 0.931 nan 8.190 nan 0.000 0.426 47 L N 5.926 127.188 121.223 0.065 0.000 2.325 47 L HA 0.729 5.070 4.340 0.002 0.000 0.281 47 L C -0.681 176.196 176.870 0.011 0.000 1.004 47 L CA -0.042 54.813 54.840 0.026 0.000 0.823 47 L CB 1.822 43.887 42.059 0.009 0.000 1.236 47 L HN 0.434 nan 8.230 nan 0.000 0.415 48 V N 6.637 126.548 119.914 -0.005 0.000 2.394 48 V HA 0.452 4.574 4.120 0.002 0.000 0.282 48 V C 0.161 176.222 176.094 -0.054 0.000 1.031 48 V CA -0.328 61.965 62.300 -0.012 0.000 0.881 48 V CB 1.377 33.205 31.823 0.008 0.000 0.982 48 V HN 0.601 nan 8.190 nan 0.000 0.451 49 I N 4.225 124.756 120.570 -0.066 0.000 2.355 49 I HA 0.488 4.660 4.170 0.002 0.000 0.288 49 I C -0.355 175.720 176.117 -0.069 0.000 0.999 49 I CA -0.418 60.810 61.300 -0.120 0.000 1.163 49 I CB 1.700 39.593 38.000 -0.179 0.000 1.316 49 I HN 0.604 nan 8.210 nan 0.000 0.454 50 E N 3.929 124.084 120.200 -0.075 0.000 2.199 50 E HA 0.324 4.675 4.350 0.002 0.000 0.269 50 E C 0.559 177.088 176.600 -0.119 0.000 0.899 50 E CA -0.659 55.706 56.400 -0.059 0.000 0.772 50 E CB 1.728 31.416 29.700 -0.020 0.000 1.155 50 E HN 0.532 nan 8.360 nan 0.000 0.408 51 S N 2.151 117.735 115.700 -0.192 0.000 2.406 51 S HA 0.096 4.567 4.470 0.002 0.000 0.228 51 S C 1.177 175.639 174.600 -0.230 0.000 1.020 51 S CA 0.427 58.375 58.200 -0.420 0.000 0.965 51 S CB -0.257 62.429 63.200 -0.856 0.000 0.798 51 S HN 0.492 nan 8.310 nan 0.000 0.488 52 G N 0.328 109.055 108.800 -0.122 0.000 2.641 52 G HA2 0.605 4.567 3.960 0.002 0.000 0.239 52 G HA3 0.605 4.567 3.960 0.002 0.000 0.239 52 G C -0.396 174.480 174.900 -0.039 0.000 1.402 52 G CA -0.129 44.921 45.100 -0.085 0.000 1.046 52 G HN 0.436 nan 8.290 nan 0.000 0.565 53 S N -3.007 112.683 115.700 -0.018 0.000 2.998 53 S HA 0.501 4.972 4.470 0.002 0.000 0.323 53 S C -1.640 173.001 174.600 0.068 0.000 1.141 53 S CA -0.592 57.624 58.200 0.027 0.000 0.873 53 S CB 0.715 63.928 63.200 0.022 0.000 1.315 53 S HN 0.505 nan 8.310 nan 0.000 0.637 54 Y N 2.027 122.306 120.300 -0.036 0.000 2.436 54 Y HA 0.386 4.938 4.550 0.002 0.000 0.336 54 Y C 0.903 176.783 175.900 -0.033 0.000 1.049 54 Y CA 0.283 58.362 58.100 -0.035 0.000 1.294 54 Y CB 0.609 39.036 38.460 -0.054 0.000 1.179 54 Y HN 0.630 nan 8.280 nan 0.000 0.520 55 E N 1.785 121.641 120.200 -0.574 0.000 2.606 55 E HA 0.043 4.394 4.350 0.002 0.000 0.224 55 E C 1.493 177.778 176.600 -0.525 0.000 0.930 55 E CA 0.285 56.433 56.400 -0.419 0.000 1.125 55 E CB 0.606 30.179 29.700 -0.212 0.000 1.123 55 E HN 0.661 nan 8.360 nan 0.000 0.522 56 S N 2.075 117.248 115.700 -0.879 0.000 2.419 56 S HA -0.128 4.343 4.470 0.002 0.000 0.233 56 S C 1.262 175.678 174.600 -0.307 0.000 1.016 56 S CA 1.597 59.506 58.200 -0.485 0.000 0.974 56 S CB -0.089 62.892 63.200 -0.364 0.000 0.786 56 S HN 0.340 nan 8.310 nan 0.000 0.492 57 D N 0.454 120.666 120.400 -0.314 0.000 2.427 57 D HA 0.070 4.711 4.640 0.002 0.000 0.224 57 D C 1.223 177.467 176.300 -0.093 0.000 1.157 57 D CA -0.234 53.703 54.000 -0.104 0.000 0.828 57 D CB -0.267 40.557 40.800 0.041 0.000 0.974 57 D HN 0.227 nan 8.370 nan 0.000 0.498 58 R N 0.666 121.084 120.500 -0.136 0.000 2.091 58 R HA 0.065 4.407 4.340 0.002 0.000 0.238 58 R C 0.818 177.079 176.300 -0.066 0.000 1.136 58 R CA 1.679 57.723 56.100 -0.093 0.000 0.959 58 R CB -0.028 30.209 30.300 -0.106 0.000 0.856 58 R HN 0.313 nan 8.270 nan 0.000 0.437 59 G N -2.642 106.117 108.800 -0.068 0.000 2.362 59 G HA2 -0.032 3.930 3.960 0.002 0.000 0.288 59 G HA3 -0.032 3.930 3.960 0.002 0.000 0.288 59 G C -2.528 172.340 174.900 -0.053 0.000 1.305 59 G CA -0.480 44.588 45.100 -0.053 0.000 0.910 59 G HN -0.081 nan 8.290 nan 0.000 0.518 60 P HA 0.025 nan 4.420 nan 0.000 0.219 60 P C 1.934 179.208 177.300 -0.042 0.000 1.146 60 P CA 0.727 63.804 63.100 -0.039 0.000 0.808 60 P CB 0.180 31.860 31.700 -0.034 0.000 0.779 61 I N -1.397 119.142 120.570 -0.052 0.000 2.454 61 I HA -0.205 3.966 4.170 0.002 0.000 0.254 61 I C 1.359 177.440 176.117 -0.061 0.000 1.156 61 I CA 1.354 62.615 61.300 -0.064 0.000 1.433 61 I CB 0.067 38.024 38.000 -0.071 0.000 1.082 61 I HN -0.132 nan 8.210 nan 0.000 0.432 62 I N -0.194 120.342 120.570 -0.056 0.000 3.194 62 I HA -0.032 4.140 4.170 0.002 0.000 0.271 62 I C 2.153 178.252 176.117 -0.030 0.000 1.150 62 I CA 0.921 62.191 61.300 -0.049 0.000 1.440 62 I CB -1.055 36.897 38.000 -0.080 0.000 1.276 62 I HN 0.148 nan 8.210 nan 0.000 0.457 63 E N 0.447 120.621 120.200 -0.042 0.000 2.274 63 E HA -0.135 4.217 4.350 0.002 0.000 0.194 63 E C 0.230 176.821 176.600 -0.015 0.000 0.996 63 E CA 0.460 56.838 56.400 -0.038 0.000 0.840 63 E CB 0.206 29.871 29.700 -0.058 0.000 0.772 63 E HN 0.225 nan 8.360 nan 0.000 0.491 64 D N 0.117 120.513 120.400 -0.006 0.000 2.280 64 D HA 0.090 4.731 4.640 0.002 0.000 0.236 64 D C 0.866 177.190 176.300 0.040 0.000 1.082 64 D CA -0.229 53.777 54.000 0.010 0.000 0.834 64 D CB 1.196 41.995 40.800 -0.001 0.000 1.100 64 D HN -0.045 nan 8.370 nan 0.000 0.486 65 L N 3.128 124.389 121.223 0.064 0.000 2.265 65 L HA -0.100 4.241 4.340 0.002 0.000 0.215 65 L C 1.577 178.517 176.870 0.117 0.000 1.117 65 L CA 0.524 55.425 54.840 0.102 0.000 0.782 65 L CB -0.305 41.821 42.059 0.112 0.000 0.914 65 L HN 0.418 nan 8.230 nan 0.000 0.441 66 N N 0.715 119.465 118.700 0.083 0.000 2.512 66 N HA -0.049 4.693 4.740 0.002 0.000 0.183 66 N C 1.504 177.055 175.510 0.069 0.000 1.073 66 N CA 1.043 54.141 53.050 0.081 0.000 0.911 66 N CB 0.207 38.721 38.487 0.046 0.000 0.964 66 N HN 0.272 nan 8.380 nan 0.000 0.447 67 A N 0.236 123.084 122.820 0.046 0.000 2.337 67 A HA 0.001 4.322 4.320 0.002 0.000 0.227 67 A C 0.224 177.785 177.584 -0.039 0.000 1.259 67 A CA -0.546 51.487 52.037 -0.007 0.000 0.870 67 A CB -0.596 18.384 19.000 -0.033 0.000 0.927 67 A HN 0.296 nan 8.150 nan 0.000 0.497 68 Y N 0.825 121.073 120.300 -0.086 0.000 2.944 68 Y HA 0.176 4.728 4.550 0.002 0.000 0.340 68 Y C 1.402 177.129 175.900 -0.288 0.000 1.275 68 Y CA 1.420 59.436 58.100 -0.140 0.000 1.590 68 Y CB 0.008 38.442 38.460 -0.045 0.000 1.218 68 Y HN 0.600 nan 8.280 nan 0.000 0.576 69 G N 4.039 112.036 108.800 -1.338 0.000 2.279 69 G HA2 -0.329 3.633 3.960 0.002 0.000 0.223 69 G HA3 -0.329 3.633 3.960 0.002 0.000 0.223 69 G C 0.914 175.205 174.900 -1.016 0.000 1.015 69 G CA 0.341 44.438 45.100 -1.671 0.000 0.621 69 G HN 0.587 nan 8.290 nan 0.000 0.506 70 D N 0.284 120.349 120.400 -0.558 0.000 2.144 70 D HA 0.028 4.670 4.640 0.002 0.000 0.199 70 D C 2.213 178.349 176.300 -0.274 0.000 0.984 70 D CA 1.127 54.936 54.000 -0.317 0.000 0.834 70 D CB -0.104 40.581 40.800 -0.192 0.000 0.955 70 D HN 0.461 nan 8.370 nan 0.000 0.465 71 I N 0.314 120.699 120.570 -0.308 0.000 3.001 71 I HA -0.095 4.076 4.170 0.002 0.000 0.268 71 I C -0.155 175.936 176.117 -0.043 0.000 1.267 71 I CA 0.196 61.401 61.300 -0.157 0.000 1.472 71 I CB -0.177 37.750 38.000 -0.122 0.000 1.089 71 I HN -0.266 nan 8.210 nan 0.000 0.468 72 F N 1.459 121.305 119.950 -0.173 0.000 2.572 72 F HA 0.403 4.932 4.527 0.002 0.000 0.370 72 F C 1.740 177.456 175.800 -0.139 0.000 1.103 72 F CA -0.213 57.679 58.000 -0.180 0.000 1.286 72 F CB -0.441 38.434 39.000 -0.208 0.000 1.105 72 F HN 0.174 nan 8.300 nan 0.000 0.583 73 G N 1.252 110.081 108.800 0.050 0.000 2.195 73 G HA2 -0.256 3.705 3.960 0.002 0.000 0.246 73 G HA3 -0.256 3.705 3.960 0.002 0.000 0.246 73 G C 0.424 175.305 174.900 -0.031 0.000 0.984 73 G CA 0.230 45.323 45.100 -0.011 0.000 0.633 73 G HN 0.967 nan 8.290 nan 0.000 0.525 74 S N -0.056 115.625 115.700 -0.032 0.000 2.646 74 S HA 0.651 5.123 4.470 0.002 0.000 0.273 74 S C 1.820 176.376 174.600 -0.073 0.000 1.168 74 S CA 0.906 59.077 58.200 -0.049 0.000 1.013 74 S CB 1.293 64.463 63.200 -0.050 0.000 1.098 74 S HN 1.458 nan 8.310 nan 0.000 0.544 75 S N -0.708 114.948 115.700 -0.074 0.000 2.561 75 S HA 0.010 4.482 4.470 0.002 0.000 0.225 75 S C 1.172 175.689 174.600 -0.138 0.000 0.977 75 S CA 0.340 58.484 58.200 -0.095 0.000 0.926 75 S CB -0.632 62.528 63.200 -0.067 0.000 0.769 75 S HN 0.550 nan 8.310 nan 0.000 0.533 76 V N 1.505 121.347 119.914 -0.120 0.000 3.623 76 V HA 0.196 4.317 4.120 0.002 0.000 0.271 76 V C 0.201 176.205 176.094 -0.150 0.000 1.248 76 V CA 0.547 62.769 62.300 -0.130 0.000 1.156 76 V CB -0.526 31.247 31.823 -0.083 0.000 0.870 76 V HN 0.460 nan 8.190 nan 0.000 0.453 77 D N -1.336 118.963 120.400 -0.168 0.000 2.425 77 D HA 0.208 4.850 4.640 0.002 0.000 0.240 77 D C 1.073 177.204 176.300 -0.281 0.000 1.080 77 D CA -0.403 53.488 54.000 -0.182 0.000 0.836 77 D CB 0.919 41.656 40.800 -0.105 0.000 1.125 77 D HN 0.131 nan 8.370 nan 0.000 0.525 78 H N 3.604 122.477 119.070 -0.328 0.000 2.457 78 H HA 0.036 4.593 4.556 0.002 0.000 0.294 78 H C 0.840 175.818 175.328 -0.582 0.000 1.064 78 H CA 1.217 56.949 56.048 -0.527 0.000 1.330 78 H CB 0.159 29.305 29.762 -1.027 0.000 1.395 78 H HN 0.677 nan 8.280 nan 0.000 0.541 79 A N 0.960 123.552 122.820 -0.380 0.000 2.415 79 A HA -0.260 4.061 4.320 0.002 0.000 0.292 79 A C -0.672 176.801 177.584 -0.186 0.000 1.452 79 A CA 0.362 52.237 52.037 -0.271 0.000 0.750 79 A CB -2.823 16.071 19.000 -0.177 0.000 1.099 79 A HN 0.348 nan 8.150 nan 0.000 0.391 80 Y N -0.234 120.059 120.300 -0.011 0.000 2.526 80 Y HA 0.341 4.893 4.550 0.002 0.000 0.330 80 Y C 0.995 176.893 175.900 -0.003 0.000 1.156 80 Y CA 0.549 58.675 58.100 0.044 0.000 1.419 80 Y CB 0.505 38.929 38.460 -0.059 0.000 1.250 80 Y HN 0.627 nan 8.280 nan 0.000 0.540 81 E N 1.821 122.129 120.200 0.179 0.000 2.227 81 E HA 0.210 4.561 4.350 0.002 0.000 0.282 81 E C -0.167 176.499 176.600 0.111 0.000 1.015 81 E CA -0.611 55.839 56.400 0.082 0.000 0.823 81 E CB 0.796 30.508 29.700 0.020 0.000 1.081 81 E HN 0.733 nan 8.360 nan 0.000 0.396 82 T N 0.088 114.724 114.554 0.137 0.000 2.788 82 T HA 0.243 4.595 4.350 0.002 0.000 0.287 82 T C 0.890 175.658 174.700 0.113 0.000 1.007 82 T CA -0.565 61.656 62.100 0.201 0.000 1.005 82 T CB 0.838 69.848 68.868 0.237 0.000 1.012 82 T HN 0.319 nan 8.240 nan 0.000 0.530 83 V N -0.728 119.243 119.914 0.095 0.000 3.681 83 V HA 0.260 4.381 4.120 0.002 0.000 0.298 83 V C 0.636 176.769 176.094 0.064 0.000 1.097 83 V CA -0.840 61.495 62.300 0.058 0.000 1.125 83 V CB -0.316 31.531 31.823 0.040 0.000 1.140 83 V HN 1.086 nan 8.190 nan 0.000 0.476 84 E N 0.726 120.961 120.200 0.057 0.000 2.220 84 E HA 0.258 4.609 4.350 0.002 0.000 0.272 84 E C -0.504 176.138 176.600 0.070 0.000 1.099 84 E CA -0.338 56.099 56.400 0.061 0.000 0.907 84 E CB 0.194 29.927 29.700 0.055 0.000 1.022 84 E HN 0.625 nan 8.360 nan 0.000 0.428 85 L N 4.248 125.525 121.223 0.091 0.000 2.426 85 L HA 0.093 4.434 4.340 0.002 0.000 0.271 85 L C 1.464 178.391 176.870 0.096 0.000 1.169 85 L CA -0.092 54.813 54.840 0.110 0.000 0.836 85 L CB 0.888 43.063 42.059 0.193 0.000 1.112 85 L HN 0.745 nan 8.230 nan 0.000 0.465 86 A N 1.800 124.669 122.820 0.082 0.000 2.015 86 A HA -0.148 4.173 4.320 0.002 0.000 0.219 86 A C 2.215 179.848 177.584 0.082 0.000 1.163 86 A CA 1.977 54.060 52.037 0.076 0.000 0.646 86 A CB -0.486 18.554 19.000 0.066 0.000 0.806 86 A HN 0.878 nan 8.150 nan 0.000 0.448 87 T N 0.517 115.133 114.554 0.104 0.000 2.867 87 T HA -0.121 4.230 4.350 0.002 0.000 0.268 87 T C 1.278 175.974 174.700 -0.007 0.000 1.057 87 T CA 1.834 63.983 62.100 0.083 0.000 1.136 87 T CB -0.341 68.630 68.868 0.172 0.000 0.874 87 T HN 0.799 nan 8.240 nan 0.000 0.466 88 N N -0.975 117.733 118.700 0.014 0.000 2.082 88 N HA 0.136 4.877 4.740 0.002 0.000 0.228 88 N C -0.079 175.482 175.510 0.084 0.000 1.341 88 N CA -0.117 52.896 53.050 -0.061 0.000 0.873 88 N CB -0.469 37.873 38.487 -0.243 0.000 1.137 88 N HN 0.091 nan 8.380 nan 0.000 0.505 89 N N 0.394 119.145 118.700 0.085 0.000 2.747 89 N HA -0.180 4.562 4.740 0.002 0.000 0.249 89 N C -1.148 174.406 175.510 0.073 0.000 1.107 89 N CA 0.893 53.994 53.050 0.084 0.000 0.707 89 N CB -1.177 37.365 38.487 0.092 0.000 1.054 89 N HN 0.686 nan 8.380 nan 0.000 0.555 90 Q N -0.822 119.017 119.800 0.064 0.000 2.433 90 Q HA 0.570 4.912 4.340 0.002 0.000 0.279 90 Q C 0.245 176.270 176.000 0.041 0.000 1.105 90 Q CA -0.792 55.035 55.803 0.041 0.000 0.815 90 Q CB 1.723 30.470 28.738 0.014 0.000 1.403 90 Q HN 0.292 nan 8.270 nan 0.000 0.435 91 T N -1.880 112.690 114.554 0.027 0.000 2.907 91 T HA 0.816 5.168 4.350 0.002 0.000 0.284 91 T C -0.470 174.238 174.700 0.013 0.000 1.004 91 T CA -0.619 61.502 62.100 0.036 0.000 1.063 91 T CB 1.397 70.285 68.868 0.033 0.000 0.992 91 T HN 0.602 nan 8.240 nan 0.000 0.483 92 A N 2.744 125.587 122.820 0.038 0.000 2.384 92 A HA 0.782 5.103 4.320 0.002 0.000 0.312 92 A C -0.567 177.037 177.584 0.034 0.000 1.113 92 A CA -1.113 50.923 52.037 -0.001 0.000 0.779 92 A CB 1.125 20.107 19.000 -0.031 0.000 1.307 92 A HN 0.923 nan 8.150 nan 0.000 0.436 93 L N 1.910 123.136 121.223 0.004 0.000 2.295 93 L HA 0.396 4.737 4.340 0.002 0.000 0.285 93 L C -0.794 176.097 176.870 0.035 0.000 1.035 93 L CA -0.672 54.163 54.840 -0.008 0.000 0.806 93 L CB 1.342 43.356 42.059 -0.074 0.000 1.214 93 L HN 0.474 nan 8.230 nan 0.000 0.426 94 I N 4.390 124.971 120.570 0.018 0.000 2.307 94 I HA 0.252 4.423 4.170 0.002 0.000 0.287 94 I C 0.231 176.221 176.117 -0.211 0.000 1.054 94 I CA -0.601 60.732 61.300 0.055 0.000 1.218 94 I CB 0.633 38.662 38.000 0.049 0.000 1.398 94 I HN 0.503 nan 8.210 nan 0.000 0.475 95 R N 3.576 123.669 120.500 -0.677 0.000 2.570 95 R HA 0.315 4.656 4.340 0.002 0.000 0.277 95 R C 0.048 176.078 176.300 -0.451 0.000 1.039 95 R CA -0.066 55.513 56.100 -0.867 0.000 1.065 95 R CB 0.621 29.900 30.300 -1.702 0.000 0.964 95 R HN 0.560 nan 8.270 nan 0.000 0.428 96 S N 0.356 115.901 115.700 -0.259 0.000 2.592 96 S HA 0.383 4.855 4.470 0.002 0.000 0.275 96 S C -0.421 174.205 174.600 0.042 0.000 1.169 96 S CA -0.518 57.667 58.200 -0.026 0.000 0.958 96 S CB 1.391 64.653 63.200 0.104 0.000 1.095 96 S HN 0.788 nan 8.310 nan 0.000 0.471 97 G N 2.747 111.601 108.800 0.090 0.000 2.398 97 G HA2 0.309 4.271 3.960 0.002 0.000 0.246 97 G HA3 0.309 4.271 3.960 0.002 0.000 0.246 97 G C -0.268 174.695 174.900 0.105 0.000 1.289 97 G CA -0.154 44.990 45.100 0.072 0.000 0.869 97 G HN 0.578 nan 8.290 nan 0.000 0.543 98 N N 0.914 119.565 118.700 -0.082 0.000 2.569 98 N HA 0.598 5.339 4.740 0.002 0.000 0.254 98 N C 0.036 175.480 175.510 -0.111 0.000 1.004 98 N CA 0.472 53.389 53.050 -0.222 0.000 0.904 98 N CB 1.060 39.084 38.487 -0.773 0.000 1.165 98 N HN 1.037 nan 8.380 nan 0.000 0.513 99 G N 1.098 109.884 108.800 -0.022 0.000 2.352 99 G HA2 0.101 4.062 3.960 0.002 0.000 0.302 99 G HA3 0.101 4.062 3.960 0.002 0.000 0.302 99 G C -1.474 173.447 174.900 0.035 0.000 1.370 99 G CA -1.081 44.011 45.100 -0.013 0.000 0.918 99 G HN 0.407 nan 8.290 nan 0.000 0.610 100 L N 1.342 122.597 121.223 0.053 0.000 2.534 100 L HA 0.385 4.726 4.340 0.002 0.000 0.271 100 L C 1.676 178.609 176.870 0.106 0.000 1.178 100 L CA 1.683 56.583 54.840 0.101 0.000 0.907 100 L CB 0.410 42.569 42.059 0.165 0.000 1.164 100 L HN 2.038 nan 8.230 nan 0.000 0.482 101 G N 1.499 110.376 108.800 0.128 0.000 2.218 101 G HA2 -0.093 3.868 3.960 0.002 0.000 0.216 101 G HA3 -0.093 3.868 3.960 0.002 0.000 0.216 101 G C 0.713 175.694 174.900 0.135 0.000 0.994 101 G CA -0.164 45.028 45.100 0.154 0.000 0.637 101 G HN 1.281 nan 8.290 nan 0.000 0.505 102 G N 0.174 109.041 108.800 0.111 0.000 2.634 102 G HA2 -0.191 3.771 3.960 0.002 0.000 0.309 102 G HA3 -0.191 3.771 3.960 0.002 0.000 0.309 102 G C 1.283 176.257 174.900 0.123 0.000 1.265 102 G CA 1.335 46.507 45.100 0.119 0.000 0.998 102 G HN 1.480 nan 8.290 nan 0.000 0.551 103 S N 0.992 116.775 115.700 0.138 0.000 2.555 103 S HA 0.020 4.492 4.470 0.002 0.000 0.230 103 S C 2.439 177.137 174.600 0.162 0.000 0.978 103 S CA 2.029 60.316 58.200 0.146 0.000 0.934 103 S CB -0.418 62.875 63.200 0.155 0.000 0.766 103 S HN 1.363 nan 8.310 nan 0.000 0.533 104 T N 0.176 114.830 114.554 0.167 0.000 3.035 104 T HA 0.143 4.494 4.350 0.002 0.000 0.268 104 T C 1.563 176.363 174.700 0.167 0.000 1.109 104 T CA 0.428 62.646 62.100 0.196 0.000 1.119 104 T CB -0.441 68.578 68.868 0.252 0.000 0.900 104 T HN 0.305 nan 8.240 nan 0.000 0.503 105 L N 1.313 122.613 121.223 0.128 0.000 2.141 105 L HA 0.074 4.415 4.340 0.002 0.000 0.209 105 L C 2.522 179.449 176.870 0.095 0.000 1.094 105 L CA 0.998 55.888 54.840 0.085 0.000 0.763 105 L CB -0.246 41.837 42.059 0.040 0.000 0.908 105 L HN 0.410 nan 8.230 nan 0.000 0.437 106 V N -3.473 116.524 119.914 0.138 0.000 3.380 106 V HA 0.227 4.348 4.120 0.002 0.000 0.307 106 V C 0.498 176.783 176.094 0.319 0.000 1.434 106 V CA -0.498 61.910 62.300 0.179 0.000 1.075 106 V CB -0.681 31.257 31.823 0.192 0.000 0.954 106 V HN 0.438 nan 8.190 nan 0.000 0.444 107 N N 1.218 120.090 118.700 0.287 0.000 2.418 107 N HA 0.436 5.177 4.740 0.002 0.000 0.283 107 N C 1.277 176.901 175.510 0.189 0.000 1.267 107 N CA 0.151 53.385 53.050 0.307 0.000 0.975 107 N CB 0.618 39.242 38.487 0.228 0.000 1.167 107 N HN 0.032 nan 8.380 nan 0.000 0.581 108 G N -2.898 105.855 108.800 -0.078 0.000 2.712 108 G HA2 0.264 4.225 3.960 0.002 0.000 0.212 108 G HA3 0.264 4.225 3.960 0.002 0.000 0.212 108 G C 0.930 175.829 174.900 -0.001 0.000 1.142 108 G CA 0.225 45.156 45.100 -0.281 0.000 0.789 108 G HN 1.286 nan 8.290 nan 0.000 0.535 109 G N -0.542 108.320 108.800 0.104 0.000 2.168 109 G HA2 -0.299 3.662 3.960 0.002 0.000 0.263 109 G HA3 -0.299 3.662 3.960 0.002 0.000 0.263 109 G C 0.486 175.520 174.900 0.224 0.000 0.977 109 G CA 0.577 45.789 45.100 0.186 0.000 0.659 109 G HN 0.682 nan 8.290 nan 0.000 0.533 110 T N 0.651 115.271 114.554 0.110 0.000 2.888 110 T HA 0.304 4.655 4.350 0.002 0.000 0.301 110 T C -0.082 174.732 174.700 0.191 0.000 1.001 110 T CA 0.296 62.377 62.100 -0.032 0.000 1.147 110 T CB 0.967 69.430 68.868 -0.673 0.000 0.931 110 T HN 0.422 nan 8.240 nan 0.000 0.541 111 W N 5.475 126.814 121.300 0.066 0.000 2.413 111 W HA 0.398 5.059 4.660 0.002 0.000 0.308 111 W C -0.502 176.169 176.519 0.252 0.000 0.997 111 W CA -0.786 56.679 57.345 0.199 0.000 1.447 111 W CB 0.906 30.515 29.460 0.249 0.000 1.263 111 W HN 0.858 nan 8.180 nan 0.000 0.416 112 T N 2.340 116.948 114.554 0.090 0.000 2.841 112 T HA 0.679 5.030 4.350 0.002 0.000 0.296 112 T C -0.867 173.800 174.700 -0.056 0.000 1.166 112 T CA -0.875 61.292 62.100 0.110 0.000 1.007 112 T CB 2.928 71.935 68.868 0.232 0.000 1.253 112 T HN 0.470 nan 8.240 nan 0.000 0.511 113 R N 0.766 121.242 120.500 -0.039 0.000 2.854 113 R HA 0.665 5.006 4.340 0.002 0.000 0.271 113 R C -2.556 173.700 176.300 -0.074 0.000 0.996 113 R CA -2.338 53.742 56.100 -0.034 0.000 0.961 113 R CB 2.129 32.474 30.300 0.076 0.000 1.182 113 R HN 0.512 nan 8.270 nan 0.000 0.479 114 P HA -0.012 nan 4.420 nan 0.000 0.289 114 P C -0.930 176.221 177.300 -0.248 0.000 1.299 114 P CA -0.241 62.778 63.100 -0.134 0.000 0.766 114 P CB 0.425 32.066 31.700 -0.098 0.000 1.226 115 H N 0.469 119.288 119.070 -0.417 0.000 2.610 115 H HA 0.116 4.674 4.556 0.002 0.000 0.336 115 H C 1.210 176.124 175.328 -0.690 0.000 1.087 115 H CA 0.317 56.047 56.048 -0.531 0.000 1.405 115 H CB 0.836 30.317 29.762 -0.468 0.000 1.460 115 H HN 0.289 nan 8.280 nan 0.000 0.538 116 K N 3.132 122.898 120.400 -1.057 0.000 2.059 116 K HA -0.199 4.122 4.320 0.002 0.000 0.212 116 K C 1.996 178.372 176.600 -0.372 0.000 1.050 116 K CA 1.772 57.450 56.287 -1.015 0.000 0.927 116 K CB -0.057 31.773 32.500 -1.117 0.000 0.714 116 K HN 0.640 nan 8.250 nan 0.000 0.447 117 A N 1.197 123.926 122.820 -0.152 0.000 2.070 117 A HA -0.219 4.103 4.320 0.002 0.000 0.220 117 A C 1.969 179.256 177.584 -0.495 0.000 1.159 117 A CA 1.292 53.091 52.037 -0.397 0.000 0.656 117 A CB -0.331 18.150 19.000 -0.866 0.000 0.800 117 A HN 0.343 nan 8.150 nan 0.000 0.453 118 Q N -0.636 118.750 119.800 -0.691 0.000 2.046 118 Q HA -0.091 4.251 4.340 0.002 0.000 0.200 118 Q C 2.106 177.893 176.000 -0.355 0.000 0.975 118 Q CA 1.657 56.938 55.803 -0.870 0.000 0.836 118 Q CB -0.272 27.841 28.738 -1.041 0.000 0.896 118 Q HN 0.505 nan 8.270 nan 0.000 0.428 119 V N 1.397 121.084 119.914 -0.378 0.000 2.453 119 V HA -0.214 3.908 4.120 0.002 0.000 0.247 119 V C 1.477 177.485 176.094 -0.144 0.000 1.048 119 V CA 1.698 63.697 62.300 -0.501 0.000 1.049 119 V CB -0.490 31.195 31.823 -0.230 0.000 0.672 119 V HN 0.286 nan 8.190 nan 0.000 0.457 120 D N 0.793 121.201 120.400 0.013 0.000 2.149 120 D HA -0.147 4.494 4.640 0.002 0.000 0.198 120 D C 2.417 178.858 176.300 0.234 0.000 0.990 120 D CA 1.824 55.902 54.000 0.130 0.000 0.839 120 D CB -0.267 40.584 40.800 0.084 0.000 0.948 120 D HN 0.603 nan 8.370 nan 0.000 0.460 121 S N -0.485 115.400 115.700 0.308 0.000 2.469 121 S HA -0.157 4.314 4.470 0.002 0.000 0.238 121 S C 1.778 176.801 174.600 0.705 0.000 0.998 121 S CA 0.345 58.841 58.200 0.493 0.000 0.957 121 S CB -0.576 63.059 63.200 0.724 0.000 0.764 121 S HN 0.246 nan 8.310 nan 0.000 0.514 122 W N 2.153 123.712 121.300 0.430 0.000 2.374 122 W HA 0.166 4.827 4.660 0.002 0.000 0.288 122 W C 2.516 179.247 176.519 0.353 0.000 1.218 122 W CA 0.459 58.048 57.345 0.406 0.000 1.245 122 W CB -0.855 28.769 29.460 0.274 0.000 1.126 122 W HN 0.603 nan 8.180 nan 0.000 0.545 123 E N -0.278 120.236 120.200 0.525 0.000 2.075 123 E HA -0.137 4.214 4.350 0.002 0.000 0.190 123 E C 2.235 178.996 176.600 0.267 0.000 0.969 123 E CA 1.878 58.502 56.400 0.373 0.000 0.815 123 E CB -0.071 29.818 29.700 0.315 0.000 0.776 123 E HN 0.127 nan 8.360 nan 0.000 0.457 124 T N -1.777 112.920 114.554 0.238 0.000 2.896 124 T HA -0.005 4.346 4.350 0.002 0.000 0.263 124 T C 1.860 176.612 174.700 0.088 0.000 1.050 124 T CA 1.078 63.271 62.100 0.154 0.000 1.140 124 T CB -0.009 68.946 68.868 0.145 0.000 0.877 124 T HN 0.025 nan 8.240 nan 0.000 0.457 125 V N -0.380 119.571 119.914 0.062 0.000 2.581 125 V HA 0.275 4.397 4.120 0.002 0.000 0.240 125 V C 1.838 177.715 176.094 -0.362 0.000 1.054 125 V CA 0.687 62.864 62.300 -0.205 0.000 1.076 125 V CB -0.531 31.061 31.823 -0.384 0.000 0.748 125 V HN 0.382 nan 8.190 nan 0.000 0.474 126 F N 1.118 121.143 119.950 0.123 0.000 2.765 126 F HA 0.445 4.973 4.527 0.002 0.000 0.302 126 F C 1.852 177.698 175.800 0.077 0.000 1.111 126 F CA 0.524 58.563 58.000 0.066 0.000 1.359 126 F CB -0.493 38.518 39.000 0.019 0.000 1.097 126 F HN 0.269 nan 8.300 nan 0.000 0.577 127 G N 0.885 109.808 108.800 0.206 0.000 2.225 127 G HA2 -0.323 3.638 3.960 0.002 0.000 0.267 127 G HA3 -0.323 3.638 3.960 0.002 0.000 0.267 127 G C -0.008 175.021 174.900 0.214 0.000 1.024 127 G CA -0.076 45.131 45.100 0.178 0.000 0.784 127 G HN 0.329 nan 8.290 nan 0.000 0.507 128 N N 1.657 120.524 118.700 0.277 0.000 2.719 128 N HA 0.198 4.940 4.740 0.002 0.000 0.243 128 N C 0.318 176.086 175.510 0.429 0.000 1.104 128 N CA -0.001 53.237 53.050 0.313 0.000 0.981 128 N CB 0.522 39.134 38.487 0.208 0.000 1.290 128 N HN 0.594 nan 8.380 nan 0.000 0.513 129 E N 0.104 120.492 120.200 0.313 0.000 2.558 129 E HA 0.065 4.416 4.350 0.002 0.000 0.255 129 E C 0.992 177.744 176.600 0.254 0.000 0.968 129 E CA 0.442 56.991 56.400 0.248 0.000 0.939 129 E CB 0.368 30.171 29.700 0.171 0.000 0.921 129 E HN 0.738 nan 8.360 nan 0.000 0.477 130 G N 3.176 112.081 108.800 0.175 0.000 2.213 130 G HA2 -0.264 3.697 3.960 0.002 0.000 0.236 130 G HA3 -0.264 3.697 3.960 0.002 0.000 0.236 130 G C -0.338 174.524 174.900 -0.065 0.000 0.991 130 G CA -0.381 44.732 45.100 0.021 0.000 0.629 130 G HN 0.583 nan 8.290 nan 0.000 0.517 131 W N 2.897 124.303 121.300 0.177 0.000 2.120 131 W HA 0.618 5.279 4.660 0.002 0.000 0.371 131 W C 0.433 177.076 176.519 0.207 0.000 0.865 131 W CA -0.269 57.214 57.345 0.229 0.000 1.529 131 W CB 0.076 29.756 29.460 0.367 0.000 1.623 131 W HN 0.514 nan 8.180 nan 0.000 0.325 132 N N -0.577 118.265 118.700 0.236 0.000 2.509 132 N HA 0.265 5.007 4.740 0.002 0.000 0.280 132 N C 0.624 176.213 175.510 0.131 0.000 1.306 132 N CA -1.027 52.136 53.050 0.190 0.000 0.782 132 N CB 0.550 39.135 38.487 0.163 0.000 1.493 132 N HN 0.252 nan 8.380 nan 0.000 0.498 133 W N 0.995 122.270 121.300 -0.041 0.000 2.317 133 W HA -0.245 4.416 4.660 0.002 0.000 0.318 133 W C 0.169 176.658 176.519 -0.051 0.000 1.227 133 W CA 2.175 59.472 57.345 -0.080 0.000 1.269 133 W CB -0.300 29.100 29.460 -0.101 0.000 1.155 133 W HN 0.526 nan 8.180 nan 0.000 0.484 134 D N 0.307 120.690 120.400 -0.027 0.000 2.126 134 D HA -0.253 4.388 4.640 0.002 0.000 0.190 134 D C 1.704 177.879 176.300 -0.209 0.000 1.001 134 D CA 1.798 55.714 54.000 -0.139 0.000 0.841 134 D CB -0.879 39.921 40.800 0.001 0.000 0.949 134 D HN 0.202 nan 8.370 nan 0.000 0.446 135 N N 0.242 118.868 118.700 -0.123 0.000 2.080 135 N HA -0.098 4.643 4.740 0.002 0.000 0.189 135 N C 2.122 177.588 175.510 -0.074 0.000 1.036 135 N CA 0.503 53.492 53.050 -0.101 0.000 0.846 135 N CB -0.505 37.939 38.487 -0.071 0.000 1.015 135 N HN 0.060 nan 8.380 nan 0.000 0.423 136 V N 1.721 121.562 119.914 -0.121 0.000 2.343 136 V HA -0.177 3.944 4.120 0.002 0.000 0.247 136 V C 2.408 178.352 176.094 -0.250 0.000 1.051 136 V CA 1.754 63.993 62.300 -0.103 0.000 1.036 136 V CB -0.960 30.825 31.823 -0.063 0.000 0.654 136 V HN 0.289 nan 8.190 nan 0.000 0.451 137 A N -0.018 122.435 122.820 -0.611 0.000 1.933 137 A HA -0.129 4.193 4.320 0.002 0.000 0.218 137 A C 2.423 179.771 177.584 -0.392 0.000 1.175 137 A CA 2.093 53.665 52.037 -0.776 0.000 0.628 137 A CB -0.725 17.392 19.000 -1.473 0.000 0.814 137 A HN 0.571 nan 8.150 nan 0.000 0.444 138 A N -1.447 121.187 122.820 -0.309 0.000 1.902 138 A HA -0.078 4.243 4.320 0.002 0.000 0.217 138 A C 2.074 179.545 177.584 -0.188 0.000 1.181 138 A CA 1.552 53.442 52.037 -0.244 0.000 0.623 138 A CB -0.804 18.029 19.000 -0.279 0.000 0.818 138 A HN 0.563 nan 8.150 nan 0.000 0.443 139 Y N -0.128 120.092 120.300 -0.133 0.000 2.274 139 Y HA -0.133 4.418 4.550 0.002 0.000 0.290 139 Y C 3.131 179.027 175.900 -0.006 0.000 1.145 139 Y CA 1.356 59.420 58.100 -0.059 0.000 1.203 139 Y CB -0.407 38.012 38.460 -0.068 0.000 0.984 139 Y HN 0.347 nan 8.280 nan 0.000 0.533 140 S N -0.182 115.573 115.700 0.092 0.000 2.368 140 S HA -0.153 4.318 4.470 0.002 0.000 0.225 140 S C 2.018 176.679 174.600 0.102 0.000 1.030 140 S CA 1.207 59.451 58.200 0.074 0.000 0.999 140 S CB -0.481 62.673 63.200 -0.077 0.000 0.844 140 S HN 0.410 nan 8.310 nan 0.000 0.459 141 L N 1.173 122.405 121.223 0.015 0.000 2.083 141 L HA -0.126 4.215 4.340 0.002 0.000 0.209 141 L C 2.823 179.733 176.870 0.067 0.000 1.083 141 L CA 1.647 56.509 54.840 0.036 0.000 0.752 141 L CB -0.632 41.404 42.059 -0.039 0.000 0.899 141 L HN 0.453 nan 8.230 nan 0.000 0.433 142 Q N 0.379 120.210 119.800 0.052 0.000 2.096 142 Q HA -0.237 4.104 4.340 0.002 0.000 0.204 142 Q C 2.265 178.344 176.000 0.131 0.000 0.982 142 Q CA 1.867 57.709 55.803 0.065 0.000 0.850 142 Q CB -0.067 28.701 28.738 0.049 0.000 0.901 142 Q HN 0.520 nan 8.270 nan 0.000 0.422 143 A N 0.533 123.484 122.820 0.217 0.000 1.969 143 A HA -0.112 4.209 4.320 0.002 0.000 0.218 143 A C 1.014 178.696 177.584 0.163 0.000 1.169 143 A CA 0.675 52.880 52.037 0.281 0.000 0.635 143 A CB -0.297 18.943 19.000 0.401 0.000 0.810 143 A HN 0.548 nan 8.150 nan 0.000 0.445 144 E N -0.194 120.130 120.200 0.206 0.000 2.331 144 E HA 0.359 4.711 4.350 0.002 0.000 0.272 144 E C -0.201 176.404 176.600 0.008 0.000 1.036 144 E CA -0.530 55.991 56.400 0.202 0.000 0.864 144 E CB 0.409 30.366 29.700 0.428 0.000 1.035 144 E HN 0.291 nan 8.360 nan 0.000 0.408 145 R N 3.235 123.655 120.500 -0.133 0.000 2.681 145 R HA 0.368 4.709 4.340 0.002 0.000 0.277 145 R C -1.318 174.858 176.300 -0.208 0.000 1.563 145 R CA -0.253 55.706 56.100 -0.235 0.000 1.673 145 R CB 0.561 30.558 30.300 -0.505 0.000 1.258 145 R HN 0.484 nan 8.270 nan 0.000 0.650 146 A N 2.050 124.844 122.820 -0.043 0.000 2.322 146 A HA 0.570 4.892 4.320 0.002 0.000 0.269 146 A C -0.349 177.189 177.584 -0.077 0.000 1.094 146 A CA -0.484 51.544 52.037 -0.015 0.000 0.807 146 A CB 0.571 19.706 19.000 0.224 0.000 1.047 146 A HN 0.641 nan 8.150 nan 0.000 0.487 147 R N 0.707 121.076 120.500 -0.218 0.000 2.494 147 R HA 0.573 4.914 4.340 0.002 0.000 0.305 147 R C -0.174 175.691 176.300 -0.725 0.000 0.959 147 R CA -0.454 55.446 56.100 -0.332 0.000 0.864 147 R CB 2.020 32.170 30.300 -0.250 0.000 1.159 147 R HN 0.839 nan 8.270 nan 0.000 0.446 148 A N 4.294 126.605 122.820 -0.849 0.000 2.366 148 A HA 0.397 4.719 4.320 0.002 0.000 0.249 148 A C -1.905 175.265 177.584 -0.691 0.000 1.084 148 A CA -1.106 50.181 52.037 -1.251 0.000 0.794 148 A CB -0.266 18.313 19.000 -0.702 0.000 1.034 148 A HN 0.478 nan 8.150 nan 0.000 0.491 149 P HA 0.211 nan 4.420 nan 0.000 0.274 149 P C -0.824 176.322 177.300 -0.256 0.000 1.237 149 P CA -0.419 62.434 63.100 -0.412 0.000 0.793 149 P CB 0.593 32.059 31.700 -0.390 0.000 0.977 150 N N -0.028 118.554 118.700 -0.197 0.000 2.448 150 N HA 0.312 5.053 4.740 0.002 0.000 0.274 150 N C 1.182 176.639 175.510 -0.087 0.000 1.239 150 N CA -0.465 52.513 53.050 -0.120 0.000 0.982 150 N CB -0.552 37.881 38.487 -0.089 0.000 1.199 150 N HN 0.306 nan 8.380 nan 0.000 0.576 151 A N -0.227 122.561 122.820 -0.053 0.000 1.917 151 A HA -0.255 4.067 4.320 0.002 0.000 0.219 151 A C 2.002 179.567 177.584 -0.031 0.000 1.182 151 A CA 1.979 53.995 52.037 -0.034 0.000 0.633 151 A CB -0.953 18.035 19.000 -0.020 0.000 0.819 151 A HN 0.824 nan 8.150 nan 0.000 0.448 152 K N -0.589 119.800 120.400 -0.018 0.000 2.057 152 K HA -0.213 4.109 4.320 0.002 0.000 0.207 152 K C 2.211 178.775 176.600 -0.060 0.000 1.049 152 K CA 1.731 58.025 56.287 0.013 0.000 0.931 152 K CB -0.223 32.324 32.500 0.079 0.000 0.714 152 K HN 0.634 nan 8.250 nan 0.000 0.440 153 Q N 0.424 120.155 119.800 -0.116 0.000 2.079 153 Q HA -0.099 4.242 4.340 0.002 0.000 0.200 153 Q C 2.174 178.076 176.000 -0.163 0.000 0.974 153 Q CA 1.630 57.272 55.803 -0.269 0.000 0.840 153 Q CB -0.062 28.497 28.738 -0.298 0.000 0.898 153 Q HN 0.361 nan 8.270 nan 0.000 0.430 154 I N 0.511 121.026 120.570 -0.091 0.000 2.226 154 I HA -0.281 3.890 4.170 0.002 0.000 0.245 154 I C 2.348 178.436 176.117 -0.047 0.000 1.100 154 I CA 0.927 62.212 61.300 -0.025 0.000 1.374 154 I CB -0.362 37.635 38.000 -0.004 0.000 1.057 154 I HN 0.188 nan 8.210 nan 0.000 0.413 155 A N 0.622 123.406 122.820 -0.061 0.000 1.978 155 A HA -0.177 4.144 4.320 0.002 0.000 0.220 155 A C 2.471 180.003 177.584 -0.087 0.000 1.170 155 A CA 1.855 53.860 52.037 -0.053 0.000 0.636 155 A CB -0.705 18.278 19.000 -0.028 0.000 0.810 155 A HN 0.457 nan 8.150 nan 0.000 0.448 156 A N -2.194 120.521 122.820 -0.175 0.000 2.014 156 A HA 0.366 4.687 4.320 0.002 0.000 0.218 156 A C 1.819 179.271 177.584 -0.220 0.000 1.163 156 A CA 1.836 53.728 52.037 -0.241 0.000 0.652 156 A CB -0.450 18.161 19.000 -0.648 0.000 0.808 156 A HN 1.657 nan 8.150 nan 0.000 0.449 157 G N -3.191 105.491 108.800 -0.197 0.000 2.870 157 G HA2 -0.038 3.924 3.960 0.002 0.000 0.216 157 G HA3 -0.038 3.924 3.960 0.002 0.000 0.216 157 G C -0.001 174.788 174.900 -0.185 0.000 0.973 157 G CA -0.121 44.867 45.100 -0.187 0.000 0.807 157 G HN 0.495 nan 8.290 nan 0.000 0.573 158 H N -0.284 118.685 119.070 -0.167 0.000 2.815 158 H HA 0.413 4.970 4.556 0.002 0.000 0.350 158 H C -0.860 174.492 175.328 0.040 0.000 1.080 158 H CA 0.903 56.888 56.048 -0.105 0.000 1.433 158 H CB 1.238 30.911 29.762 -0.149 0.000 1.432 158 H HN 0.271 nan 8.280 nan 0.000 0.592 159 Y N 3.529 123.873 120.300 0.074 0.000 2.421 159 Y HA 0.287 4.838 4.550 0.002 0.000 0.339 159 Y C -2.006 174.017 175.900 0.204 0.000 0.996 159 Y CA -1.377 56.778 58.100 0.092 0.000 1.046 159 Y CB 1.048 39.514 38.460 0.010 0.000 1.226 159 Y HN 0.474 nan 8.280 nan 0.000 0.445 160 F N 7.676 127.149 119.950 -0.796 0.000 2.496 160 F HA 0.423 4.952 4.527 0.002 0.000 0.341 160 F C -1.051 174.334 175.800 -0.690 0.000 1.134 160 F CA -0.710 56.948 58.000 -0.571 0.000 0.968 160 F CB 0.760 39.588 39.000 -0.286 0.000 1.205 160 F HN 0.600 nan 8.300 nan 0.000 0.436 161 N N 4.652 122.889 118.700 -0.771 0.000 2.406 161 N HA 0.234 4.975 4.740 0.002 0.000 0.251 161 N C 0.748 175.992 175.510 -0.444 0.000 1.069 161 N CA 0.530 53.323 53.050 -0.429 0.000 0.947 161 N CB 1.732 40.122 38.487 -0.161 0.000 1.111 161 N HN 0.830 nan 8.380 nan 0.000 0.497 162 A N 3.103 125.761 122.820 -0.270 0.000 2.019 162 A HA -0.110 4.212 4.320 0.002 0.000 0.219 162 A C 2.096 179.617 177.584 -0.106 0.000 1.164 162 A CA 1.405 53.347 52.037 -0.158 0.000 0.644 162 A CB -0.281 18.747 19.000 0.047 0.000 0.805 162 A HN 0.690 nan 8.150 nan 0.000 0.449 163 S N -1.023 114.621 115.700 -0.094 0.000 2.399 163 S HA -0.157 4.314 4.470 0.002 0.000 0.231 163 S C 1.454 175.987 174.600 -0.112 0.000 1.022 163 S CA 1.380 59.539 58.200 -0.068 0.000 0.983 163 S CB -0.477 62.699 63.200 -0.039 0.000 0.803 163 S HN 0.730 nan 8.310 nan 0.000 0.480 164 c N 1.692 120.167 118.600 -0.208 0.000 2.625 164 c HA 0.308 4.880 4.570 0.002 0.000 0.285 164 c C 0.536 174.280 174.090 -0.577 0.000 1.279 164 c CA -0.605 55.524 56.329 -0.333 0.000 1.698 164 c CB -1.562 40.721 42.510 -0.378 0.000 1.821 164 c HN 0.486 nan 8.230 nan 0.000 0.600 165 H N -0.391 118.603 119.070 -0.128 0.000 2.717 165 H HA 0.448 5.005 4.556 0.002 0.000 0.366 165 H C 0.141 175.489 175.328 0.034 0.000 1.132 165 H CA -0.059 55.977 56.048 -0.019 0.000 1.180 165 H CB 1.725 31.457 29.762 -0.050 0.000 1.678 165 H HN 0.250 nan 8.280 nan 0.000 0.537 166 G N 0.309 109.226 108.800 0.196 0.000 2.420 166 G HA2 0.395 4.357 3.960 0.002 0.000 0.284 166 G HA3 0.395 4.357 3.960 0.002 0.000 0.284 166 G C 0.870 175.838 174.900 0.113 0.000 1.177 166 G CA -0.364 44.804 45.100 0.113 0.000 0.841 166 G HN 0.462 nan 8.290 nan 0.000 0.527 167 V N -1.287 118.659 119.914 0.054 0.000 3.432 167 V HA 0.286 4.407 4.120 0.002 0.000 0.298 167 V C 0.729 176.797 176.094 -0.045 0.000 1.464 167 V CA -0.126 62.184 62.300 0.017 0.000 1.046 167 V CB 0.245 32.088 31.823 0.035 0.000 0.887 167 V HN 0.463 nan 8.190 nan 0.000 0.441 168 N N 1.556 120.231 118.700 -0.042 0.000 2.184 168 N HA 0.285 5.026 4.740 0.002 0.000 0.206 168 N C 1.095 176.549 175.510 -0.093 0.000 1.151 168 N CA 0.795 53.805 53.050 -0.067 0.000 0.878 168 N CB 1.353 39.815 38.487 -0.042 0.000 1.014 168 N HN 0.611 nan 8.380 nan 0.000 0.512 169 G N 0.188 108.929 108.800 -0.098 0.000 2.481 169 G HA2 0.107 4.068 3.960 0.002 0.000 0.251 169 G HA3 0.107 4.068 3.960 0.002 0.000 0.251 169 G C 0.741 175.493 174.900 -0.247 0.000 1.492 169 G CA 0.410 45.443 45.100 -0.112 0.000 1.060 169 G HN 0.082 nan 8.290 nan 0.000 0.553 170 T N -0.957 113.405 114.554 -0.320 0.000 3.026 170 T HA 0.132 4.483 4.350 0.002 0.000 0.245 170 T C 0.789 175.150 174.700 -0.566 0.000 1.004 170 T CA -0.057 61.709 62.100 -0.556 0.000 1.069 170 T CB 0.336 68.587 68.868 -1.029 0.000 1.005 170 T HN 0.117 nan 8.240 nan 0.000 0.472 171 V N 3.890 123.534 119.914 -0.450 0.000 2.356 171 V HA 0.197 4.319 4.120 0.002 0.000 0.258 171 V C -0.296 175.533 176.094 -0.442 0.000 1.065 171 V CA -0.721 61.335 62.300 -0.407 0.000 0.935 171 V CB -0.723 30.846 31.823 -0.423 0.000 1.061 171 V HN 0.492 nan 8.190 nan 0.000 0.484 172 H N 3.125 121.929 119.070 -0.444 0.000 3.107 172 H HA 0.467 5.025 4.556 0.002 0.000 0.301 172 H C 0.453 175.517 175.328 -0.441 0.000 0.981 172 H CA 1.003 56.772 56.048 -0.465 0.000 1.443 172 H CB 0.402 29.728 29.762 -0.727 0.000 1.479 172 H HN 0.874 nan 8.280 nan 0.000 0.564 173 A N 2.737 125.350 122.820 -0.344 0.000 2.449 173 A HA 0.814 5.135 4.320 0.002 0.000 0.302 173 A C -0.023 177.427 177.584 -0.224 0.000 1.048 173 A CA 0.019 51.821 52.037 -0.392 0.000 0.708 173 A CB 1.780 20.288 19.000 -0.821 0.000 1.274 173 A HN 0.893 nan 8.150 nan 0.000 0.410 174 G N 0.335 109.048 108.800 -0.144 0.000 2.441 174 G HA2 0.639 4.600 3.960 0.002 0.000 0.294 174 G HA3 0.639 4.600 3.960 0.002 0.000 0.294 174 G C -3.599 171.258 174.900 -0.072 0.000 1.393 174 G CA -0.863 44.151 45.100 -0.143 0.000 0.796 174 G HN 0.502 nan 8.290 nan 0.000 0.494 175 P HA 0.258 nan 4.420 nan 0.000 0.271 175 P C -0.142 177.166 177.300 0.013 0.000 1.220 175 P CA -0.284 62.737 63.100 -0.132 0.000 0.768 175 P CB 0.654 32.077 31.700 -0.462 0.000 0.848 176 R N 2.940 123.514 120.500 0.124 0.000 2.491 176 R HA 0.198 4.539 4.340 0.002 0.000 0.283 176 R C -0.595 175.784 176.300 0.131 0.000 1.072 176 R CA 0.318 56.491 56.100 0.123 0.000 1.048 176 R CB 0.138 30.532 30.300 0.158 0.000 0.983 176 R HN 0.408 nan 8.270 nan 0.000 0.450 177 D N 2.601 123.038 120.400 0.061 0.000 2.478 177 D HA 0.035 4.676 4.640 0.002 0.000 0.240 177 D C 0.561 176.831 176.300 -0.049 0.000 1.364 177 D CA -0.355 53.655 54.000 0.017 0.000 0.987 177 D CB 1.688 42.525 40.800 0.061 0.000 1.328 177 D HN 0.649 nan 8.370 nan 0.000 0.584 178 T N 0.475 114.964 114.554 -0.108 0.000 3.035 178 T HA 0.251 4.602 4.350 0.002 0.000 0.268 178 T C 1.500 176.143 174.700 -0.095 0.000 1.109 178 T CA 1.144 63.191 62.100 -0.088 0.000 1.119 178 T CB 0.155 68.966 68.868 -0.095 0.000 0.900 178 T HN 0.706 nan 8.240 nan 0.000 0.503 179 G N 1.693 110.417 108.800 -0.127 0.000 2.238 179 G HA2 -0.187 3.774 3.960 0.002 0.000 0.217 179 G HA3 -0.187 3.774 3.960 0.002 0.000 0.217 179 G C -0.170 174.662 174.900 -0.113 0.000 0.996 179 G CA 0.076 45.119 45.100 -0.095 0.000 0.632 179 G HN 0.890 nan 8.290 nan 0.000 0.503 180 D N 0.898 121.205 120.400 -0.156 0.000 2.478 180 D HA 0.521 5.162 4.640 0.002 0.000 0.269 180 D C -0.082 176.099 176.300 -0.199 0.000 1.232 180 D CA -0.600 53.316 54.000 -0.140 0.000 1.059 180 D CB 0.537 41.268 40.800 -0.116 0.000 1.104 180 D HN 0.050 nan 8.370 nan 0.000 0.566 181 D N -1.063 119.259 120.400 -0.129 0.000 2.368 181 D HA 0.058 4.700 4.640 0.002 0.000 0.240 181 D C -0.483 175.715 176.300 -0.171 0.000 1.169 181 D CA 0.284 54.230 54.000 -0.090 0.000 0.906 181 D CB 0.152 40.939 40.800 -0.022 0.000 1.187 181 D HN 0.316 nan 8.370 nan 0.000 0.435 182 Y N 0.248 120.530 120.300 -0.030 0.000 2.309 182 Y HA 0.099 4.650 4.550 0.002 0.000 0.327 182 Y C 1.260 177.121 175.900 -0.064 0.000 1.172 182 Y CA -0.156 57.918 58.100 -0.043 0.000 1.280 182 Y CB 1.074 39.511 38.460 -0.038 0.000 1.234 182 Y HN 0.132 nan 8.280 nan 0.000 0.512 183 S N 4.697 120.427 115.700 0.051 0.000 2.564 183 S HA 0.126 4.597 4.470 0.002 0.000 0.278 183 S C -1.466 173.088 174.600 -0.076 0.000 1.333 183 S CA -1.304 56.867 58.200 -0.049 0.000 1.048 183 S CB 0.572 63.714 63.200 -0.097 0.000 0.900 183 S HN 0.548 nan 8.310 nan 0.000 0.505 184 P HA 0.084 nan 4.420 nan 0.000 0.241 184 P C 1.262 178.388 177.300 -0.289 0.000 1.191 184 P CA 0.444 63.446 63.100 -0.163 0.000 0.771 184 P CB -0.002 31.635 31.700 -0.104 0.000 0.929 185 I N -0.509 119.815 120.570 -0.410 0.000 2.361 185 I HA -0.188 3.983 4.170 0.002 0.000 0.251 185 I C 2.413 178.432 176.117 -0.162 0.000 1.133 185 I CA 0.989 62.070 61.300 -0.364 0.000 1.413 185 I CB -0.468 37.338 38.000 -0.324 0.000 1.073 185 I HN -0.187 nan 8.210 nan 0.000 0.424 186 V N 0.815 120.645 119.914 -0.141 0.000 2.287 186 V HA -0.318 3.803 4.120 0.002 0.000 0.248 186 V C 2.378 178.414 176.094 -0.097 0.000 1.053 186 V CA 1.912 64.141 62.300 -0.118 0.000 1.027 186 V CB -0.625 31.113 31.823 -0.140 0.000 0.646 186 V HN 0.399 nan 8.190 nan 0.000 0.447 187 K N -0.078 120.270 120.400 -0.087 0.000 2.148 187 K HA -0.034 4.287 4.320 0.002 0.000 0.204 187 K C 2.254 178.839 176.600 -0.025 0.000 1.050 187 K CA 1.217 57.468 56.287 -0.060 0.000 0.942 187 K CB -0.317 32.157 32.500 -0.043 0.000 0.724 187 K HN 0.482 nan 8.250 nan 0.000 0.446 188 A N 1.358 124.178 122.820 0.001 0.000 1.930 188 A HA -0.136 4.185 4.320 0.002 0.000 0.217 188 A C 2.055 179.665 177.584 0.044 0.000 1.175 188 A CA 1.016 53.098 52.037 0.075 0.000 0.627 188 A CB -0.393 18.723 19.000 0.193 0.000 0.815 188 A HN 0.234 nan 8.150 nan 0.000 0.443 189 L N -0.609 120.625 121.223 0.019 0.000 2.056 189 L HA -0.091 4.250 4.340 0.002 0.000 0.207 189 L C 2.413 179.243 176.870 -0.067 0.000 1.078 189 L CA 2.029 56.880 54.840 0.020 0.000 0.749 189 L CB -0.552 41.541 42.059 0.056 0.000 0.901 189 L HN 0.427 nan 8.230 nan 0.000 0.433 190 M N -1.303 118.247 119.600 -0.083 0.000 2.080 190 M HA -0.232 4.250 4.480 0.002 0.000 0.260 190 M C 2.528 178.757 176.300 -0.118 0.000 1.068 190 M CA 2.107 57.332 55.300 -0.125 0.000 1.109 190 M CB -0.525 32.011 32.600 -0.108 0.000 1.342 190 M HN 0.467 nan 8.290 nan 0.000 0.405 191 S N 0.140 115.798 115.700 -0.070 0.000 2.368 191 S HA -0.132 4.339 4.470 0.002 0.000 0.225 191 S C 1.939 176.502 174.600 -0.061 0.000 1.030 191 S CA 1.457 59.625 58.200 -0.053 0.000 0.999 191 S CB -0.185 63.005 63.200 -0.016 0.000 0.844 191 S HN 0.500 nan 8.310 nan 0.000 0.459 192 A N 0.939 123.726 122.820 -0.055 0.000 1.930 192 A HA -0.001 4.321 4.320 0.002 0.000 0.217 192 A C 2.383 179.892 177.584 -0.126 0.000 1.175 192 A CA 1.781 53.785 52.037 -0.056 0.000 0.627 192 A CB -0.940 18.052 19.000 -0.013 0.000 0.815 192 A HN 0.957 nan 8.150 nan 0.000 0.443 193 V N -2.807 116.965 119.914 -0.235 0.000 2.788 193 V HA -0.063 4.058 4.120 0.002 0.000 0.251 193 V C 1.779 177.728 176.094 -0.241 0.000 1.068 193 V CA 1.819 63.888 62.300 -0.384 0.000 1.090 193 V CB -0.761 30.579 31.823 -0.805 0.000 0.710 193 V HN 0.538 nan 8.190 nan 0.000 0.467 194 E N 0.700 120.792 120.200 -0.179 0.000 2.110 194 E HA -0.226 4.125 4.350 0.002 0.000 0.193 194 E C 1.867 178.420 176.600 -0.078 0.000 0.988 194 E CA 1.635 57.963 56.400 -0.120 0.000 0.804 194 E CB -0.203 29.437 29.700 -0.099 0.000 0.745 194 E HN 0.626 nan 8.360 nan 0.000 0.458 195 D N 0.183 120.543 120.400 -0.066 0.000 2.265 195 D HA -0.130 4.511 4.640 0.002 0.000 0.208 195 D C 1.201 177.486 176.300 -0.024 0.000 0.977 195 D CA 0.971 54.949 54.000 -0.037 0.000 0.871 195 D CB -0.047 40.737 40.800 -0.026 0.000 0.925 195 D HN 0.162 nan 8.370 nan 0.000 0.485 196 R N -0.700 119.782 120.500 -0.030 0.000 2.388 196 R HA 0.339 4.680 4.340 0.002 0.000 0.247 196 R C 1.072 177.383 176.300 0.018 0.000 0.931 196 R CA 0.404 56.509 56.100 0.008 0.000 1.082 196 R CB 0.502 30.825 30.300 0.037 0.000 1.135 196 R HN 0.019 nan 8.270 nan 0.000 0.525 197 G N 1.084 109.879 108.800 -0.009 0.000 2.160 197 G HA2 -0.243 3.719 3.960 0.002 0.000 0.244 197 G HA3 -0.243 3.719 3.960 0.002 0.000 0.244 197 G C 0.001 174.901 174.900 0.001 0.000 1.022 197 G CA -0.049 45.052 45.100 0.002 0.000 0.741 197 G HN 0.151 nan 8.290 nan 0.000 0.508 198 V N 1.844 121.726 119.914 -0.054 0.000 2.481 198 V HA 0.549 4.670 4.120 0.002 0.000 0.286 198 V C -1.202 174.783 176.094 -0.182 0.000 1.042 198 V CA -1.546 60.695 62.300 -0.099 0.000 0.928 198 V CB 1.690 33.404 31.823 -0.182 0.000 0.986 198 V HN 0.219 nan 8.190 nan 0.000 0.462 199 P HA 0.314 nan 4.420 nan 0.000 0.272 199 P C -0.494 176.697 177.300 -0.181 0.000 1.230 199 P CA -0.021 62.960 63.100 -0.199 0.000 0.788 199 P CB 0.696 32.261 31.700 -0.225 0.000 0.949 200 T N -3.131 111.338 114.554 -0.141 0.000 2.903 200 T HA 0.473 4.825 4.350 0.002 0.000 0.299 200 T C -0.050 174.574 174.700 -0.127 0.000 1.093 200 T CA -0.873 61.149 62.100 -0.129 0.000 1.002 200 T CB 1.579 70.361 68.868 -0.142 0.000 1.127 200 T HN 0.416 nan 8.240 nan 0.000 0.488 201 K N -0.334 119.986 120.400 -0.133 0.000 3.500 201 K HA -0.153 4.168 4.320 0.002 0.000 0.313 201 K C -0.127 176.433 176.600 -0.068 0.000 1.338 201 K CA 1.036 57.248 56.287 -0.125 0.000 0.963 201 K CB -1.302 31.106 32.500 -0.152 0.000 1.267 201 K HN 0.725 nan 8.250 nan 0.000 0.448 202 K N 1.872 122.240 120.400 -0.054 0.000 2.436 202 K HA -0.019 4.302 4.320 0.002 0.000 0.275 202 K C 0.126 176.767 176.600 0.068 0.000 0.999 202 K CA -0.108 56.214 56.287 0.058 0.000 0.980 202 K CB 0.346 32.924 32.500 0.130 0.000 0.919 202 K HN 0.042 nan 8.250 nan 0.000 0.484 203 D N 2.420 122.954 120.400 0.223 0.000 2.371 203 D HA -0.034 4.607 4.640 0.002 0.000 0.256 203 D C 0.061 176.490 176.300 0.215 0.000 1.193 203 D CA -0.134 53.963 54.000 0.163 0.000 0.881 203 D CB 0.391 41.261 40.800 0.116 0.000 1.143 203 D HN 0.286 nan 8.370 nan 0.000 0.473 204 F N 2.004 122.061 119.950 0.178 0.000 2.802 204 F HA 0.168 4.696 4.527 0.002 0.000 0.300 204 F C 2.281 178.104 175.800 0.037 0.000 1.168 204 F CA -0.028 58.016 58.000 0.074 0.000 1.433 204 F CB -0.329 38.732 39.000 0.101 0.000 1.115 204 F HN 0.497 nan 8.300 nan 0.000 0.582 205 G N -2.234 106.697 108.800 0.218 0.000 3.088 205 G HA2 -0.007 3.955 3.960 0.002 0.000 0.217 205 G HA3 -0.007 3.955 3.960 0.002 0.000 0.217 205 G C 1.130 176.019 174.900 -0.018 0.000 1.159 205 G CA 0.269 45.388 45.100 0.032 0.000 0.760 205 G HN 0.387 nan 8.290 nan 0.000 0.550 206 c N -0.502 118.114 118.600 0.027 0.000 2.673 206 c HA 0.520 5.091 4.570 0.002 0.000 0.264 206 c C 2.130 176.221 174.090 0.001 0.000 1.304 206 c CA 0.484 56.830 56.329 0.028 0.000 1.727 206 c CB -0.253 42.261 42.510 0.007 0.000 1.932 206 c HN 0.675 nan 8.230 nan 0.000 0.563 207 G N 0.811 109.515 108.800 -0.161 0.000 2.205 207 G HA2 -0.122 3.839 3.960 0.002 0.000 0.180 207 G HA3 -0.122 3.839 3.960 0.002 0.000 0.180 207 G C -0.386 174.088 174.900 -0.709 0.000 1.004 207 G CA 0.315 44.993 45.100 -0.704 0.000 0.670 207 G HN 0.442 nan 8.290 nan 0.000 0.496 208 D N 0.809 120.984 120.400 -0.374 0.000 2.586 208 D HA 0.399 5.040 4.640 0.002 0.000 0.254 208 D C -2.577 173.689 176.300 -0.057 0.000 1.248 208 D CA -1.315 52.506 54.000 -0.298 0.000 0.843 208 D CB 1.522 42.200 40.800 -0.202 0.000 1.332 208 D HN 0.105 nan 8.370 nan 0.000 0.523 209 P HA 0.163 nan 4.420 nan 0.000 0.277 209 P C -0.833 176.407 177.300 -0.100 0.000 1.354 209 P CA 0.131 62.999 63.100 -0.386 0.000 0.891 209 P CB -0.051 31.032 31.700 -1.029 0.000 1.058 210 H N 1.889 121.036 119.070 0.127 0.000 3.038 210 H HA 0.473 5.030 4.556 0.002 0.000 0.362 210 H C 0.081 175.678 175.328 0.448 0.000 1.167 210 H CA -0.100 56.118 56.048 0.284 0.000 1.197 210 H CB 1.858 31.746 29.762 0.211 0.000 1.840 210 H HN 0.683 nan 8.280 nan 0.000 0.540 211 G N 1.458 110.527 108.800 0.448 0.000 2.627 211 G HA2 -0.186 3.775 3.960 0.002 0.000 0.214 211 G HA3 -0.186 3.775 3.960 0.002 0.000 0.214 211 G C -1.432 173.685 174.900 0.362 0.000 1.331 211 G CA -0.337 44.861 45.100 0.165 0.000 0.891 211 G HN 0.602 nan 8.290 nan 0.000 0.539 212 V N 1.193 121.141 119.914 0.057 0.000 2.370 212 V HA 0.731 4.853 4.120 0.002 0.000 0.279 212 V C 0.401 176.524 176.094 0.048 0.000 1.029 212 V CA 0.366 62.738 62.300 0.120 0.000 0.870 212 V CB 1.082 32.844 31.823 -0.102 0.000 0.984 212 V HN 1.127 nan 8.190 nan 0.000 0.451 213 S N 4.707 120.439 115.700 0.052 0.000 2.607 213 S HA 0.702 5.174 4.470 0.002 0.000 0.273 213 S C -0.552 173.910 174.600 -0.231 0.000 1.148 213 S CA -0.850 57.183 58.200 -0.278 0.000 0.833 213 S CB 1.991 64.655 63.200 -0.894 0.000 1.130 213 S HN 0.578 nan 8.310 nan 0.000 0.470 214 M N 1.515 120.864 119.600 -0.417 0.000 2.369 214 M HA 0.708 5.189 4.480 0.002 0.000 0.291 214 M C -1.086 174.926 176.300 -0.480 0.000 1.178 214 M CA -0.339 54.517 55.300 -0.741 0.000 0.996 214 M CB 0.527 32.475 32.600 -1.087 0.000 1.472 214 M HN 0.723 nan 8.290 nan 0.000 0.496 215 F N -2.233 117.730 119.950 0.022 0.000 2.713 215 F HA 0.765 5.294 4.527 0.002 0.000 0.311 215 F C -3.090 172.930 175.800 0.366 0.000 1.141 215 F CA -2.857 55.296 58.000 0.255 0.000 0.939 215 F CB -0.560 38.652 39.000 0.353 0.000 1.325 215 F HN 0.238 nan 8.300 nan 0.000 0.453 216 P HA 0.345 nan 4.420 nan 0.000 0.274 216 P C -1.353 176.245 177.300 0.497 0.000 1.256 216 P CA -0.390 62.964 63.100 0.423 0.000 0.795 216 P CB 0.728 32.622 31.700 0.324 0.000 1.038 217 N N -1.789 117.078 118.700 0.279 0.000 2.321 217 N HA 0.309 5.051 4.740 0.002 0.000 0.290 217 N C -0.924 174.626 175.510 0.066 0.000 1.212 217 N CA -0.609 52.594 53.050 0.255 0.000 0.767 217 N CB 1.507 40.142 38.487 0.246 0.000 1.494 217 N HN 0.358 nan 8.380 nan 0.000 0.479 218 T N 0.365 114.968 114.554 0.081 0.000 2.987 218 T HA 0.481 4.833 4.350 0.002 0.000 0.288 218 T C -0.474 174.255 174.700 0.047 0.000 0.981 218 T CA -0.362 61.721 62.100 -0.029 0.000 1.031 218 T CB -1.087 67.828 68.868 0.078 0.000 0.976 218 T HN 0.309 nan 8.240 nan 0.000 0.612 219 L N -1.072 120.165 121.223 0.023 0.000 2.622 219 L HA 0.571 4.913 4.340 0.002 0.000 0.258 219 L C -0.417 176.507 176.870 0.090 0.000 0.996 219 L CA -1.286 53.612 54.840 0.096 0.000 0.858 219 L CB 0.763 42.870 42.059 0.081 0.000 1.449 219 L HN 0.388 nan 8.230 nan 0.000 0.411 220 H N -0.050 118.977 119.070 -0.071 0.000 2.597 220 H HA 0.210 4.768 4.556 0.002 0.000 0.370 220 H C 0.139 175.429 175.328 -0.065 0.000 1.281 220 H CA 0.022 56.009 56.048 -0.102 0.000 1.422 220 H CB 1.639 31.282 29.762 -0.198 0.000 1.524 220 H HN 0.866 nan 8.280 nan 0.000 0.607 221 E N 0.605 120.838 120.200 0.054 0.000 2.160 221 E HA -0.185 4.167 4.350 0.002 0.000 0.195 221 E C 0.788 177.393 176.600 0.008 0.000 0.991 221 E CA 1.264 57.668 56.400 0.006 0.000 0.810 221 E CB 0.012 29.705 29.700 -0.012 0.000 0.742 221 E HN 0.602 nan 8.360 nan 0.000 0.466 222 D N -0.320 120.091 120.400 0.018 0.000 2.338 222 D HA -0.133 4.508 4.640 0.002 0.000 0.239 222 D C 0.077 176.373 176.300 -0.007 0.000 1.095 222 D CA 0.277 54.274 54.000 -0.005 0.000 0.888 222 D CB 0.085 40.872 40.800 -0.021 0.000 0.899 222 D HN 0.021 nan 8.370 nan 0.000 0.525 223 Q N -1.533 118.274 119.800 0.012 0.000 2.465 223 Q HA -0.131 4.211 4.340 0.002 0.000 0.248 223 Q C -0.478 175.526 176.000 0.005 0.000 0.819 223 Q CA 0.489 56.301 55.803 0.015 0.000 1.219 223 Q CB -2.515 26.226 28.738 0.006 0.000 1.472 223 Q HN 0.370 nan 8.270 nan 0.000 0.630 224 V N 1.454 121.354 119.914 -0.023 0.000 2.498 224 V HA 0.208 4.329 4.120 0.002 0.000 0.279 224 V C 1.237 177.312 176.094 -0.032 0.000 1.048 224 V CA -0.346 61.909 62.300 -0.076 0.000 0.967 224 V CB 1.416 33.122 31.823 -0.194 0.000 0.988 224 V HN 0.234 nan 8.190 nan 0.000 0.473 225 R N 3.106 123.602 120.500 -0.006 0.000 2.494 225 R HA -0.024 4.317 4.340 0.002 0.000 0.291 225 R C 0.137 176.484 176.300 0.078 0.000 0.953 225 R CA 0.237 56.367 56.100 0.050 0.000 1.098 225 R CB 0.237 30.564 30.300 0.045 0.000 0.911 225 R HN 0.775 nan 8.270 nan 0.000 0.407 226 S N 4.424 120.217 115.700 0.155 0.000 4.087 226 S HA 0.024 4.495 4.470 0.002 0.000 0.213 226 S C -0.634 174.084 174.600 0.198 0.000 1.415 226 S CA -0.583 57.737 58.200 0.199 0.000 0.893 226 S CB -0.215 63.071 63.200 0.143 0.000 1.529 226 S HN 0.689 nan 8.310 nan 0.000 0.457 227 D N 0.625 121.131 120.400 0.176 0.000 2.358 227 D HA 0.498 5.139 4.640 0.002 0.000 0.244 227 D C 1.249 177.729 176.300 0.301 0.000 1.163 227 D CA -0.561 53.571 54.000 0.219 0.000 0.945 227 D CB 0.654 41.540 40.800 0.142 0.000 1.152 227 D HN 0.134 nan 8.370 nan 0.000 0.451 228 A N 1.114 124.166 122.820 0.386 0.000 1.978 228 A HA -0.043 4.278 4.320 0.002 0.000 0.220 228 A C 2.185 180.032 177.584 0.438 0.000 1.170 228 A CA 1.876 54.232 52.037 0.532 0.000 0.636 228 A CB -1.300 17.996 19.000 0.493 0.000 0.810 228 A HN 0.704 nan 8.150 nan 0.000 0.448 229 A N -0.476 122.524 122.820 0.300 0.000 1.929 229 A HA -0.089 4.233 4.320 0.002 0.000 0.216 229 A C 2.222 179.968 177.584 0.271 0.000 1.176 229 A CA 1.503 53.712 52.037 0.286 0.000 0.628 229 A CB -0.436 18.724 19.000 0.267 0.000 0.816 229 A HN 0.548 nan 8.150 nan 0.000 0.444 230 R N -0.429 120.201 120.500 0.216 0.000 2.081 230 R HA -0.130 4.212 4.340 0.002 0.000 0.235 230 R C 1.743 178.128 176.300 0.143 0.000 1.131 230 R CA 1.617 57.813 56.100 0.160 0.000 0.960 230 R CB -0.100 30.250 30.300 0.084 0.000 0.856 230 R HN 0.427 nan 8.270 nan 0.000 0.436 231 E N -0.959 119.326 120.200 0.141 0.000 2.112 231 E HA -0.152 4.199 4.350 0.002 0.000 0.190 231 E C 1.497 177.967 176.600 -0.217 0.000 0.979 231 E CA 1.099 57.462 56.400 -0.061 0.000 0.814 231 E CB -0.072 29.525 29.700 -0.173 0.000 0.762 231 E HN 0.496 nan 8.360 nan 0.000 0.460 232 W N -0.582 120.801 121.300 0.139 0.000 2.871 232 W HA 0.199 4.860 4.660 0.002 0.000 0.267 232 W C 1.821 178.413 176.519 0.122 0.000 1.180 232 W CA -0.395 57.023 57.345 0.123 0.000 1.463 232 W CB 0.060 29.605 29.460 0.143 0.000 0.966 232 W HN 0.018 nan 8.180 nan 0.000 0.605 233 L N -0.490 120.934 121.223 0.336 0.000 2.388 233 L HA 0.215 4.557 4.340 0.002 0.000 0.209 233 L C 2.017 179.030 176.870 0.238 0.000 1.061 233 L CA 1.037 56.032 54.840 0.260 0.000 0.834 233 L CB -1.052 41.145 42.059 0.230 0.000 1.029 233 L HN -0.081 nan 8.230 nan 0.000 0.473 234 L N 0.967 122.320 121.223 0.216 0.000 2.012 234 L HA -0.063 4.278 4.340 0.002 0.000 0.210 234 L C -0.613 176.413 176.870 0.260 0.000 1.073 234 L CA 2.236 57.208 54.840 0.221 0.000 0.748 234 L CB -1.748 40.407 42.059 0.159 0.000 0.891 234 L HN 0.192 nan 8.230 nan 0.000 0.431 235 P HA -0.044 nan 4.420 nan 0.000 0.226 235 P C 0.266 177.593 177.300 0.045 0.000 1.153 235 P CA 1.164 64.313 63.100 0.083 0.000 0.777 235 P CB 0.009 31.733 31.700 0.039 0.000 0.794 236 N N -1.647 117.106 118.700 0.088 0.000 2.197 236 N HA 0.043 4.784 4.740 0.002 0.000 0.228 236 N C 1.011 176.540 175.510 0.031 0.000 1.212 236 N CA -0.138 52.936 53.050 0.040 0.000 0.883 236 N CB -0.123 38.420 38.487 0.094 0.000 1.107 236 N HN 0.319 nan 8.380 nan 0.000 0.519 237 Y N 0.709 121.019 120.300 0.017 0.000 2.421 237 Y HA 0.080 4.631 4.550 0.002 0.000 0.292 237 Y C 1.838 177.735 175.900 -0.006 0.000 1.136 237 Y CA 0.931 59.031 58.100 -0.000 0.000 1.255 237 Y CB -0.310 38.130 38.460 -0.034 0.000 0.991 237 Y HN -0.079 nan 8.280 nan 0.000 0.552 238 Q N 0.907 120.373 119.800 -0.557 0.000 2.378 238 Q HA 0.037 4.379 4.340 0.002 0.000 0.205 238 Q C 0.269 176.188 176.000 -0.136 0.000 0.954 238 Q CA 0.102 55.689 55.803 -0.360 0.000 0.901 238 Q CB 0.016 28.488 28.738 -0.444 0.000 0.981 238 Q HN 0.433 nan 8.270 nan 0.000 0.483 239 R N 2.104 122.551 120.500 -0.089 0.000 2.485 239 R HA -0.071 4.270 4.340 0.002 0.000 0.304 239 R C -1.654 174.642 176.300 -0.008 0.000 0.934 239 R CA -0.488 55.593 56.100 -0.033 0.000 1.102 239 R CB 0.082 30.379 30.300 -0.005 0.000 0.906 239 R HN 0.147 nan 8.270 nan 0.000 0.407 240 P HA -0.112 nan 4.420 nan 0.000 0.233 240 P C -0.013 177.300 177.300 0.021 0.000 1.167 240 P CA 1.021 64.127 63.100 0.010 0.000 0.770 240 P CB 0.207 31.911 31.700 0.007 0.000 0.837 241 N N -0.349 118.365 118.700 0.022 0.000 2.336 241 N HA 0.022 4.763 4.740 0.002 0.000 0.189 241 N C 0.206 175.737 175.510 0.036 0.000 1.113 241 N CA -0.075 52.993 53.050 0.031 0.000 0.858 241 N CB -0.421 38.082 38.487 0.028 0.000 0.970 241 N HN 0.126 nan 8.380 nan 0.000 0.471 242 L N 1.827 123.071 121.223 0.035 0.000 2.276 242 L HA 0.432 4.773 4.340 0.002 0.000 0.286 242 L C -1.027 175.870 176.870 0.046 0.000 1.024 242 L CA -0.296 54.570 54.840 0.044 0.000 0.826 242 L CB 1.111 43.202 42.059 0.053 0.000 1.211 242 L HN -0.030 nan 8.230 nan 0.000 0.422 243 Q N 4.391 124.213 119.800 0.038 0.000 2.337 243 Q HA 0.617 4.959 4.340 0.002 0.000 0.266 243 Q C -1.331 174.677 176.000 0.014 0.000 1.023 243 Q CA -0.627 55.192 55.803 0.027 0.000 0.829 243 Q CB 2.889 31.639 28.738 0.019 0.000 1.306 243 Q HN 0.493 nan 8.270 nan 0.000 0.449 244 V N 3.443 123.360 119.914 0.005 0.000 2.443 244 V HA 0.334 4.455 4.120 0.002 0.000 0.293 244 V C -0.702 175.369 176.094 -0.039 0.000 1.021 244 V CA -0.826 61.468 62.300 -0.010 0.000 0.848 244 V CB 1.773 33.602 31.823 0.010 0.000 0.998 244 V HN 0.589 nan 8.190 nan 0.000 0.424 245 L N 5.997 127.174 121.223 -0.077 0.000 2.282 245 L HA 0.836 5.177 4.340 0.002 0.000 0.288 245 L C 0.428 177.238 176.870 -0.099 0.000 1.033 245 L CA 0.591 55.362 54.840 -0.115 0.000 0.807 245 L CB 1.725 43.648 42.059 -0.226 0.000 1.209 245 L HN 0.880 nan 8.230 nan 0.000 0.423 246 T N 0.717 115.230 114.554 -0.068 0.000 2.942 246 T HA 0.683 5.034 4.350 0.002 0.000 0.289 246 T C 0.676 175.351 174.700 -0.041 0.000 1.044 246 T CA -0.240 61.831 62.100 -0.049 0.000 1.023 246 T CB 1.535 70.393 68.868 -0.018 0.000 1.123 246 T HN 1.445 nan 8.240 nan 0.000 0.512 247 G N 0.999 109.773 108.800 -0.044 0.000 2.143 247 G HA2 -0.146 3.815 3.960 0.002 0.000 0.248 247 G HA3 -0.146 3.815 3.960 0.002 0.000 0.248 247 G C -0.184 174.728 174.900 0.021 0.000 0.991 247 G CA 0.063 45.154 45.100 -0.016 0.000 0.689 247 G HN 0.876 nan 8.290 nan 0.000 0.522 248 Q N -1.112 118.679 119.800 -0.016 0.000 2.397 248 Q HA 0.568 4.910 4.340 0.002 0.000 0.275 248 Q C -1.118 174.928 176.000 0.075 0.000 1.090 248 Q CA -0.781 55.096 55.803 0.123 0.000 0.809 248 Q CB 1.722 30.556 28.738 0.161 0.000 1.362 248 Q HN 0.290 nan 8.270 nan 0.000 0.431 249 Y N -0.113 120.375 120.300 0.313 0.000 2.320 249 Y HA 0.271 4.823 4.550 0.002 0.000 0.334 249 Y C 0.436 176.565 175.900 0.383 0.000 1.055 249 Y CA -0.671 57.636 58.100 0.345 0.000 1.143 249 Y CB 1.405 40.139 38.460 0.456 0.000 1.193 249 Y HN 0.245 nan 8.280 nan 0.000 0.477 250 V N 4.154 124.302 119.914 0.389 0.000 2.470 250 V HA 0.101 4.222 4.120 0.002 0.000 0.276 250 V C 0.893 177.142 176.094 0.259 0.000 1.040 250 V CA 0.897 63.393 62.300 0.326 0.000 1.008 250 V CB 0.698 32.638 31.823 0.195 0.000 0.990 250 V HN 1.145 nan 8.190 nan 0.000 0.477 251 G N 5.185 114.105 108.800 0.200 0.000 2.490 251 G HA2 0.143 4.104 3.960 0.002 0.000 0.211 251 G HA3 0.143 4.104 3.960 0.002 0.000 0.211 251 G C 0.410 175.257 174.900 -0.088 0.000 1.159 251 G CA 0.355 45.341 45.100 -0.189 0.000 0.819 251 G HN 0.683 nan 8.290 nan 0.000 0.539 252 K N -1.284 119.139 120.400 0.039 0.000 2.578 252 K HA 0.587 4.909 4.320 0.002 0.000 0.287 252 K C -1.875 174.769 176.600 0.072 0.000 1.010 252 K CA -0.848 55.478 56.287 0.065 0.000 0.889 252 K CB 1.675 34.204 32.500 0.048 0.000 1.514 252 K HN -0.147 nan 8.250 nan 0.000 0.424 253 V N 2.048 122.000 119.914 0.064 0.000 2.509 253 V HA 0.285 4.406 4.120 0.002 0.000 0.284 253 V C -0.038 176.087 176.094 0.052 0.000 1.047 253 V CA -0.866 61.468 62.300 0.056 0.000 0.952 253 V CB 1.077 32.928 31.823 0.047 0.000 0.988 253 V HN 0.507 nan 8.190 nan 0.000 0.469 254 L N 6.129 127.385 121.223 0.054 0.000 2.281 254 L HA 0.477 4.819 4.340 0.002 0.000 0.285 254 L C -0.512 176.399 176.870 0.069 0.000 1.074 254 L CA -0.068 54.811 54.840 0.065 0.000 0.817 254 L CB 0.568 42.678 42.059 0.084 0.000 1.168 254 L HN 0.410 nan 8.230 nan 0.000 0.434 255 L N 2.879 124.136 121.223 0.057 0.000 2.341 255 L HA 0.416 4.757 4.340 0.002 0.000 0.278 255 L C 0.115 177.011 176.870 0.043 0.000 1.005 255 L CA -0.244 54.624 54.840 0.046 0.000 0.818 255 L CB 2.075 44.154 42.059 0.033 0.000 1.259 255 L HN 0.541 nan 8.230 nan 0.000 0.418 256 S N 1.848 117.571 115.700 0.038 0.000 2.480 256 S HA 0.299 4.770 4.470 0.002 0.000 0.286 256 S C 0.045 174.656 174.600 0.018 0.000 1.180 256 S CA -0.376 57.840 58.200 0.027 0.000 1.075 256 S CB 1.170 64.383 63.200 0.021 0.000 0.996 256 S HN 0.702 nan 8.310 nan 0.000 0.487 257 Q N 3.175 122.983 119.800 0.014 0.000 2.186 257 Q HA 0.293 4.634 4.340 0.002 0.000 0.241 257 Q C -0.367 175.636 176.000 0.005 0.000 0.849 257 Q CA -0.124 55.685 55.803 0.009 0.000 1.053 257 Q CB 0.231 28.974 28.738 0.008 0.000 1.146 257 Q HN 0.625 nan 8.270 nan 0.000 0.475 258 N N 0.412 119.115 118.700 0.004 0.000 2.714 258 N HA 0.266 5.007 4.740 0.002 0.000 0.298 258 N C -0.835 174.674 175.510 -0.000 0.000 1.298 258 N CA -0.045 53.006 53.050 0.001 0.000 1.007 258 N CB 0.467 38.953 38.487 -0.002 0.000 1.318 258 N HN 0.318 nan 8.380 nan 0.000 0.516 259 G N -1.864 106.937 108.800 0.002 0.000 2.706 259 G HA2 0.142 4.103 3.960 0.002 0.000 0.307 259 G HA3 0.142 4.103 3.960 0.002 0.000 0.307 259 G C 0.373 175.275 174.900 0.003 0.000 1.307 259 G CA -0.338 44.763 45.100 0.002 0.000 0.790 259 G HN 0.060 nan 8.290 nan 0.000 0.503 260 T N 0.276 114.833 114.554 0.005 0.000 2.770 260 T HA 0.131 4.483 4.350 0.002 0.000 0.263 260 T C 0.942 175.647 174.700 0.008 0.000 1.039 260 T CA 1.624 63.727 62.100 0.006 0.000 1.142 260 T CB -0.204 68.668 68.868 0.007 0.000 0.868 260 T HN 0.441 nan 8.240 nan 0.000 0.435 261 T N 3.159 117.720 114.554 0.011 0.000 2.823 261 T HA 0.465 4.816 4.350 0.002 0.000 0.279 261 T C -2.664 172.045 174.700 0.015 0.000 0.998 261 T CA -1.355 60.754 62.100 0.015 0.000 0.994 261 T CB 1.711 70.591 68.868 0.020 0.000 0.960 261 T HN -0.020 nan 8.240 nan 0.000 0.448 262 P HA 0.234 nan 4.420 nan 0.000 0.266 262 P C -0.462 176.850 177.300 0.019 0.000 1.195 262 P CA -0.273 62.837 63.100 0.016 0.000 0.768 262 P CB 0.579 32.288 31.700 0.015 0.000 0.838 263 R N 2.111 122.624 120.500 0.021 0.000 2.621 263 R HA 0.680 5.021 4.340 0.002 0.000 0.292 263 R C -0.973 175.346 176.300 0.033 0.000 0.969 263 R CA -0.881 55.233 56.100 0.024 0.000 0.887 263 R CB 1.381 31.691 30.300 0.017 0.000 1.180 263 R HN 0.500 nan 8.270 nan 0.000 0.450 264 A N 3.559 126.401 122.820 0.037 0.000 2.404 264 A HA 0.272 4.594 4.320 0.002 0.000 0.273 264 A C 0.829 178.448 177.584 0.059 0.000 1.144 264 A CA -0.399 51.667 52.037 0.048 0.000 0.806 264 A CB 0.418 19.447 19.000 0.047 0.000 1.080 264 A HN 0.723 nan 8.150 nan 0.000 0.509 265 V N 0.658 120.623 119.914 0.085 0.000 3.605 265 V HA 0.650 4.771 4.120 0.002 0.000 0.284 265 V C 0.714 176.923 176.094 0.191 0.000 1.386 265 V CA 0.663 63.038 62.300 0.125 0.000 1.053 265 V CB -0.738 31.169 31.823 0.140 0.000 0.857 265 V HN 1.582 nan 8.190 nan 0.000 0.436 266 G N -0.037 108.836 108.800 0.122 0.000 2.325 266 G HA2 0.531 4.493 3.960 0.002 0.000 0.295 266 G HA3 0.531 4.493 3.960 0.002 0.000 0.295 266 G C -1.392 173.519 174.900 0.017 0.000 1.274 266 G CA 0.194 45.321 45.100 0.046 0.000 0.857 266 G HN 1.233 nan 8.290 nan 0.000 0.499 267 V N -2.885 117.020 119.914 -0.016 0.000 3.078 267 V HA 0.891 5.013 4.120 0.002 0.000 0.311 267 V C -0.680 175.446 176.094 0.053 0.000 1.138 267 V CA -0.856 61.476 62.300 0.053 0.000 1.007 267 V CB 1.969 33.863 31.823 0.117 0.000 1.045 267 V HN 1.029 nan 8.190 nan 0.000 0.432 268 E N 2.041 122.294 120.200 0.088 0.000 2.151 268 E HA 0.631 4.982 4.350 0.002 0.000 0.275 268 E C -1.582 175.156 176.600 0.229 0.000 0.936 268 E CA -0.623 55.813 56.400 0.061 0.000 0.777 268 E CB 1.602 31.330 29.700 0.048 0.000 1.108 268 E HN 0.730 nan 8.360 nan 0.000 0.401 269 F N 1.798 121.836 119.950 0.146 0.000 2.611 269 F HA 0.942 5.470 4.527 0.002 0.000 0.324 269 F C 0.030 175.916 175.800 0.144 0.000 1.061 269 F CA -0.357 57.772 58.000 0.215 0.000 0.954 269 F CB 1.670 40.767 39.000 0.163 0.000 1.301 269 F HN 0.557 nan 8.300 nan 0.000 0.482 270 G N -0.051 108.965 108.800 0.360 0.000 2.323 270 G HA2 0.399 4.361 3.960 0.002 0.000 0.291 270 G HA3 0.399 4.361 3.960 0.002 0.000 0.291 270 G C -0.540 174.420 174.900 0.100 0.000 1.278 270 G CA -0.226 44.883 45.100 0.016 0.000 0.860 270 G HN 1.253 nan 8.290 nan 0.000 0.504 271 T N -3.461 111.071 114.554 -0.036 0.000 2.958 271 T HA 0.429 4.780 4.350 0.002 0.000 0.256 271 T C 0.381 175.151 174.700 0.116 0.000 0.983 271 T CA 0.895 63.101 62.100 0.177 0.000 0.924 271 T CB 0.281 69.274 68.868 0.209 0.000 1.136 271 T HN 0.926 nan 8.240 nan 0.000 0.506 272 H N 0.579 119.483 119.070 -0.277 0.000 3.042 272 H HA 0.275 4.832 4.556 0.002 0.000 0.346 272 H C 0.313 175.457 175.328 -0.306 0.000 1.294 272 H CA -0.227 55.724 56.048 -0.163 0.000 1.141 272 H CB 2.342 32.066 29.762 -0.064 0.000 1.872 272 H HN 0.087 nan 8.280 nan 0.000 0.541 273 K N 0.665 120.723 120.400 -0.570 0.000 2.113 273 K HA -0.064 4.257 4.320 0.002 0.000 0.208 273 K C 1.420 177.938 176.600 -0.136 0.000 1.047 273 K CA 1.874 58.002 56.287 -0.265 0.000 0.928 273 K CB -0.258 32.095 32.500 -0.245 0.000 0.716 273 K HN 0.438 nan 8.250 nan 0.000 0.446 274 G N 0.636 109.469 108.800 0.054 0.000 2.920 274 G HA2 -0.114 3.847 3.960 0.002 0.000 0.208 274 G HA3 -0.114 3.847 3.960 0.002 0.000 0.208 274 G C 0.047 174.906 174.900 -0.067 0.000 1.159 274 G CA -0.219 44.896 45.100 0.024 0.000 0.784 274 G HN 0.492 nan 8.290 nan 0.000 0.535 275 N N 0.586 119.204 118.700 -0.136 0.000 2.791 275 N HA 0.151 4.892 4.740 0.002 0.000 0.265 275 N C -0.806 174.460 175.510 -0.407 0.000 1.580 275 N CA -0.164 52.759 53.050 -0.212 0.000 0.809 275 N CB 0.739 39.188 38.487 -0.064 0.000 1.178 275 N HN 0.142 nan 8.380 nan 0.000 0.499 276 T N -1.337 112.879 114.554 -0.563 0.000 2.908 276 T HA 0.505 4.856 4.350 0.002 0.000 0.290 276 T C -0.749 173.402 174.700 -0.915 0.000 1.034 276 T CA -0.555 61.165 62.100 -0.633 0.000 1.010 276 T CB 2.159 70.781 68.868 -0.410 0.000 1.068 276 T HN 0.196 nan 8.240 nan 0.000 0.481 277 H N 1.449 120.158 119.070 -0.602 0.000 2.928 277 H HA 0.521 5.078 4.556 0.002 0.000 0.371 277 H C -0.725 174.175 175.328 -0.713 0.000 1.186 277 H CA -0.944 54.688 56.048 -0.695 0.000 1.134 277 H CB 2.089 31.262 29.762 -0.983 0.000 1.824 277 H HN 0.559 nan 8.280 nan 0.000 0.554 278 N N 0.620 119.150 118.700 -0.283 0.000 2.319 278 N HA 0.464 5.205 4.740 0.002 0.000 0.305 278 N C -0.843 174.527 175.510 -0.234 0.000 1.103 278 N CA -0.543 52.345 53.050 -0.270 0.000 0.815 278 N CB 2.852 41.168 38.487 -0.286 0.000 1.288 278 N HN 0.205 nan 8.380 nan 0.000 0.493 279 V N 1.893 121.625 119.914 -0.303 0.000 2.808 279 V HA 0.434 4.555 4.120 0.002 0.000 0.308 279 V C -1.301 174.529 176.094 -0.440 0.000 1.099 279 V CA -0.734 61.451 62.300 -0.192 0.000 0.920 279 V CB 1.449 33.349 31.823 0.128 0.000 1.014 279 V HN 0.503 nan 8.190 nan 0.000 0.425 280 Y N 1.671 122.029 120.300 0.097 0.000 2.457 280 Y HA 0.815 5.367 4.550 0.002 0.000 0.333 280 Y C 0.432 176.358 175.900 0.043 0.000 1.119 280 Y CA -0.772 57.365 58.100 0.062 0.000 1.143 280 Y CB 1.935 40.420 38.460 0.041 0.000 1.230 280 Y HN 0.731 nan 8.280 nan 0.000 0.469 281 A N 2.223 125.147 122.820 0.174 0.000 2.318 281 A HA 0.433 4.754 4.320 0.002 0.000 0.317 281 A C 0.733 178.327 177.584 0.017 0.000 1.159 281 A CA -0.843 51.238 52.037 0.074 0.000 0.799 281 A CB 1.285 20.314 19.000 0.048 0.000 1.194 281 A HN 0.960 nan 8.150 nan 0.000 0.479 282 K N 0.924 121.300 120.400 -0.040 0.000 2.103 282 K HA -0.091 4.230 4.320 0.002 0.000 0.204 282 K C 1.009 177.410 176.600 -0.332 0.000 1.052 282 K CA 1.546 57.743 56.287 -0.150 0.000 0.945 282 K CB -0.105 32.318 32.500 -0.128 0.000 0.722 282 K HN 0.906 nan 8.250 nan 0.000 0.443 283 H N -0.660 118.269 119.070 -0.235 0.000 2.320 283 H HA 0.248 4.805 4.556 0.002 0.000 0.318 283 H C 0.092 175.306 175.328 -0.190 0.000 1.098 283 H CA 0.514 56.388 56.048 -0.290 0.000 1.569 283 H CB 0.701 30.053 29.762 -0.683 0.000 1.506 283 H HN 0.116 nan 8.280 nan 0.000 0.632 284 E N 0.541 120.681 120.200 -0.100 0.000 2.413 284 E HA 0.399 4.750 4.350 0.002 0.000 0.277 284 E C -1.323 175.370 176.600 0.156 0.000 0.958 284 E CA -0.603 55.865 56.400 0.114 0.000 0.779 284 E CB 3.384 33.257 29.700 0.289 0.000 1.278 284 E HN -0.125 nan 8.360 nan 0.000 0.456 285 V N 2.449 122.438 119.914 0.125 0.000 2.370 285 V HA 0.341 4.462 4.120 0.002 0.000 0.283 285 V C -0.442 175.709 176.094 0.096 0.000 1.023 285 V CA -0.545 61.819 62.300 0.107 0.000 0.857 285 V CB 0.818 32.685 31.823 0.074 0.000 0.985 285 V HN 0.417 nan 8.190 nan 0.000 0.443 286 L N 6.307 127.584 121.223 0.090 0.000 2.305 286 L HA 0.555 4.897 4.340 0.002 0.000 0.284 286 L C -0.551 176.328 176.870 0.015 0.000 1.013 286 L CA -0.463 54.404 54.840 0.045 0.000 0.819 286 L CB 1.522 43.603 42.059 0.037 0.000 1.227 286 L HN 0.402 nan 8.230 nan 0.000 0.417 287 L N 3.750 124.968 121.223 -0.008 0.000 2.276 287 L HA 0.540 4.881 4.340 0.002 0.000 0.286 287 L C 0.587 177.432 176.870 -0.042 0.000 1.061 287 L CA -0.090 54.739 54.840 -0.018 0.000 0.807 287 L CB 1.352 43.396 42.059 -0.025 0.000 1.177 287 L HN 0.793 nan 8.230 nan 0.000 0.429 288 A N 2.525 125.327 122.820 -0.031 0.000 2.843 288 A HA 0.541 4.862 4.320 0.002 0.000 0.248 288 A C 0.907 178.479 177.584 -0.021 0.000 0.904 288 A CA 0.151 52.162 52.037 -0.044 0.000 1.091 288 A CB 0.440 19.415 19.000 -0.043 0.000 1.208 288 A HN 0.749 nan 8.150 nan 0.000 0.476 289 A N -0.231 122.576 122.820 -0.020 0.000 2.251 289 A HA 0.535 4.857 4.320 0.002 0.000 0.209 289 A C 1.311 178.881 177.584 -0.024 0.000 1.187 289 A CA 0.960 52.993 52.037 -0.006 0.000 0.823 289 A CB -0.462 18.541 19.000 0.005 0.000 0.846 289 A HN 2.264 nan 8.150 nan 0.000 0.486 290 G N -1.411 107.368 108.800 -0.035 0.000 2.587 290 G HA2 0.081 4.042 3.960 0.002 0.000 0.686 290 G HA3 0.081 4.042 3.960 0.002 0.000 0.686 290 G C 0.566 175.425 174.900 -0.068 0.000 1.236 290 G CA 0.224 45.310 45.100 -0.024 0.000 0.820 290 G HN 1.157 nan 8.290 nan 0.000 0.645 291 S N -0.556 115.123 115.700 -0.036 0.000 2.442 291 S HA 0.164 4.635 4.470 0.002 0.000 0.236 291 S C 2.424 176.984 174.600 -0.067 0.000 1.007 291 S CA 1.823 59.994 58.200 -0.049 0.000 0.965 291 S CB -0.016 63.187 63.200 0.005 0.000 0.773 291 S HN 2.181 nan 8.310 nan 0.000 0.504 292 A N 0.501 123.249 122.820 -0.120 0.000 2.123 292 A HA 0.432 4.753 4.320 0.002 0.000 0.214 292 A C 1.997 179.310 177.584 -0.451 0.000 1.152 292 A CA 0.797 52.679 52.037 -0.258 0.000 0.728 292 A CB -0.175 18.423 19.000 -0.671 0.000 0.814 292 A HN 0.464 nan 8.150 nan 0.000 0.464 293 V N -1.991 117.716 119.914 -0.344 0.000 2.911 293 V HA -0.037 4.084 4.120 0.002 0.000 0.237 293 V C 2.430 178.430 176.094 -0.156 0.000 1.156 293 V CA 1.250 63.379 62.300 -0.286 0.000 1.180 293 V CB -0.457 31.245 31.823 -0.202 0.000 0.932 293 V HN 0.399 nan 8.190 nan 0.000 0.483 294 S N 1.573 117.202 115.700 -0.119 0.000 2.372 294 S HA -0.160 4.312 4.470 0.002 0.000 0.227 294 S C -0.027 174.510 174.600 -0.104 0.000 1.044 294 S CA 2.475 60.621 58.200 -0.089 0.000 1.050 294 S CB -1.356 61.789 63.200 -0.092 0.000 0.901 294 S HN 0.563 nan 8.310 nan 0.000 0.447 295 P HA -0.122 nan 4.420 nan 0.000 0.215 295 P C 1.792 178.993 177.300 -0.165 0.000 1.153 295 P CA 1.905 64.921 63.100 -0.140 0.000 0.853 295 P CB -0.669 30.938 31.700 -0.154 0.000 0.788 296 T N -2.341 112.087 114.554 -0.210 0.000 2.833 296 T HA -0.100 4.252 4.350 0.002 0.000 0.269 296 T C 2.027 176.567 174.700 -0.266 0.000 1.054 296 T CA 0.872 62.775 62.100 -0.329 0.000 1.135 296 T CB -1.287 67.384 68.868 -0.329 0.000 0.869 296 T HN 0.024 nan 8.240 nan 0.000 0.466 297 I N 0.809 121.354 120.570 -0.041 0.000 2.226 297 I HA -0.078 4.093 4.170 0.002 0.000 0.245 297 I C 2.609 178.743 176.117 0.029 0.000 1.100 297 I CA 1.127 62.480 61.300 0.089 0.000 1.374 297 I CB -0.408 37.635 38.000 0.071 0.000 1.057 297 I HN 0.230 nan 8.210 nan 0.000 0.413 298 L N 0.338 121.537 121.223 -0.039 0.000 2.012 298 L HA -0.244 4.097 4.340 0.002 0.000 0.210 298 L C 2.550 179.382 176.870 -0.064 0.000 1.073 298 L CA 1.666 56.479 54.840 -0.045 0.000 0.748 298 L CB -0.681 41.339 42.059 -0.065 0.000 0.891 298 L HN 0.277 nan 8.230 nan 0.000 0.431 299 E N -0.756 119.361 120.200 -0.139 0.000 2.077 299 E HA -0.236 4.116 4.350 0.002 0.000 0.193 299 E C 2.150 178.658 176.600 -0.152 0.000 0.989 299 E CA 1.333 57.626 56.400 -0.178 0.000 0.800 299 E CB -0.135 29.409 29.700 -0.260 0.000 0.746 299 E HN 0.433 nan 8.360 nan 0.000 0.452 300 Y N 0.748 121.018 120.300 -0.051 0.000 2.274 300 Y HA -0.129 4.422 4.550 0.002 0.000 0.290 300 Y C 2.388 178.259 175.900 -0.047 0.000 1.145 300 Y CA 1.010 59.072 58.100 -0.063 0.000 1.203 300 Y CB -0.176 38.225 38.460 -0.099 0.000 0.984 300 Y HN -0.069 nan 8.280 nan 0.000 0.533 301 S N -1.301 114.460 115.700 0.101 0.000 2.593 301 S HA 0.248 4.720 4.470 0.002 0.000 0.217 301 S C 1.667 176.283 174.600 0.026 0.000 0.966 301 S CA 0.627 58.861 58.200 0.058 0.000 0.914 301 S CB -0.263 62.964 63.200 0.046 0.000 0.776 301 S HN 0.656 nan 8.310 nan 0.000 0.523 302 G N 1.521 110.326 108.800 0.008 0.000 2.132 302 G HA2 -0.227 3.734 3.960 0.002 0.000 0.228 302 G HA3 -0.227 3.734 3.960 0.002 0.000 0.228 302 G C -0.117 174.769 174.900 -0.023 0.000 1.000 302 G CA -0.328 44.766 45.100 -0.010 0.000 0.693 302 G HN 0.513 nan 8.290 nan 0.000 0.515 303 I N 1.093 121.644 120.570 -0.030 0.000 2.371 303 I HA 0.657 4.828 4.170 0.002 0.000 0.282 303 I C 0.801 176.882 176.117 -0.060 0.000 1.031 303 I CA 0.322 61.599 61.300 -0.038 0.000 1.180 303 I CB 1.178 39.161 38.000 -0.028 0.000 1.336 303 I HN 0.493 nan 8.210 nan 0.000 0.467 304 G N 5.576 114.333 108.800 -0.071 0.000 2.333 304 G HA2 0.251 4.212 3.960 0.002 0.000 0.288 304 G HA3 0.251 4.212 3.960 0.002 0.000 0.288 304 G C -1.123 173.709 174.900 -0.113 0.000 1.286 304 G CA -1.039 44.005 45.100 -0.093 0.000 0.865 304 G HN 0.224 nan 8.290 nan 0.000 0.506 305 M N 1.146 120.657 119.600 -0.148 0.000 2.217 305 M HA 0.222 4.703 4.480 0.002 0.000 0.354 305 M C 1.589 177.799 176.300 -0.151 0.000 1.225 305 M CA -0.215 54.985 55.300 -0.167 0.000 1.137 305 M CB 1.654 34.123 32.600 -0.219 0.000 1.576 305 M HN 0.751 nan 8.290 nan 0.000 0.461 306 K N 1.700 122.028 120.400 -0.121 0.000 2.097 306 K HA -0.152 4.169 4.320 0.002 0.000 0.206 306 K C 1.911 178.443 176.600 -0.113 0.000 1.049 306 K CA 2.057 58.283 56.287 -0.100 0.000 0.933 306 K CB 0.079 32.532 32.500 -0.078 0.000 0.717 306 K HN 0.827 nan 8.250 nan 0.000 0.442 307 S N 0.362 115.982 115.700 -0.132 0.000 2.442 307 S HA -0.099 4.372 4.470 0.002 0.000 0.236 307 S C 1.846 176.342 174.600 -0.174 0.000 1.007 307 S CA 0.797 58.914 58.200 -0.138 0.000 0.965 307 S CB -0.259 62.857 63.200 -0.140 0.000 0.773 307 S HN 0.232 nan 8.310 nan 0.000 0.504 308 I N 1.451 121.886 120.570 -0.226 0.000 2.429 308 I HA 0.117 4.288 4.170 0.002 0.000 0.247 308 I C 2.384 178.400 176.117 -0.169 0.000 1.099 308 I CA 0.730 61.871 61.300 -0.264 0.000 1.422 308 I CB -1.235 36.514 38.000 -0.417 0.000 1.112 308 I HN 0.335 nan 8.210 nan 0.000 0.430 309 L N 0.250 121.389 121.223 -0.139 0.000 2.131 309 L HA -0.107 4.234 4.340 0.002 0.000 0.206 309 L C 2.495 179.326 176.870 -0.065 0.000 1.087 309 L CA 0.970 55.755 54.840 -0.093 0.000 0.767 309 L CB -0.555 41.455 42.059 -0.081 0.000 0.917 309 L HN 0.261 nan 8.230 nan 0.000 0.441 310 E N 1.054 121.214 120.200 -0.067 0.000 2.038 310 E HA -0.200 4.151 4.350 0.002 0.000 0.195 310 E C -0.615 175.961 176.600 -0.040 0.000 1.000 310 E CA 1.488 57.858 56.400 -0.049 0.000 0.803 310 E CB -0.592 29.077 29.700 -0.050 0.000 0.750 310 E HN 0.283 nan 8.360 nan 0.000 0.448 311 P HA -0.132 nan 4.420 nan 0.000 0.223 311 P C 0.860 178.146 177.300 -0.023 0.000 1.144 311 P CA 1.084 64.162 63.100 -0.036 0.000 0.783 311 P CB -0.019 31.653 31.700 -0.046 0.000 0.771 312 L N -2.383 118.826 121.223 -0.023 0.000 2.592 312 L HA 0.278 4.619 4.340 0.002 0.000 0.227 312 L C 1.287 178.159 176.870 0.004 0.000 1.127 312 L CA 0.545 55.383 54.840 -0.003 0.000 0.884 312 L CB -0.818 41.240 42.059 -0.001 0.000 1.065 312 L HN 0.089 nan 8.230 nan 0.000 0.457 313 G N 1.375 110.172 108.800 -0.005 0.000 2.182 313 G HA2 -0.265 3.696 3.960 0.002 0.000 0.248 313 G HA3 -0.265 3.696 3.960 0.002 0.000 0.248 313 G C -0.063 174.838 174.900 0.001 0.000 1.042 313 G CA -0.171 44.928 45.100 -0.002 0.000 0.775 313 G HN 0.288 nan 8.290 nan 0.000 0.501 314 I N 0.361 120.929 120.570 -0.004 0.000 2.404 314 I HA 0.317 4.488 4.170 0.002 0.000 0.293 314 I C -0.219 175.891 176.117 -0.012 0.000 0.992 314 I CA -0.865 60.435 61.300 -0.000 0.000 1.149 314 I CB 1.685 39.687 38.000 0.003 0.000 1.315 314 I HN 0.087 nan 8.210 nan 0.000 0.446 315 D N 4.509 124.904 120.400 -0.008 0.000 2.317 315 D HA 0.115 4.756 4.640 0.002 0.000 0.252 315 D C -0.365 175.925 176.300 -0.016 0.000 1.174 315 D CA 0.068 54.060 54.000 -0.013 0.000 0.866 315 D CB 0.924 41.720 40.800 -0.007 0.000 1.127 315 D HN 0.368 nan 8.370 nan 0.000 0.467 316 T N 3.956 118.495 114.554 -0.026 0.000 2.751 316 T HA 0.092 4.443 4.350 0.002 0.000 0.290 316 T C 1.536 176.222 174.700 -0.023 0.000 0.919 316 T CA -0.580 61.501 62.100 -0.032 0.000 1.136 316 T CB 1.008 69.850 68.868 -0.044 0.000 0.875 316 T HN 0.218 nan 8.240 nan 0.000 0.532 317 V N 4.026 123.930 119.914 -0.017 0.000 2.379 317 V HA 0.048 4.170 4.120 0.002 0.000 0.243 317 V C 0.858 176.945 176.094 -0.012 0.000 1.035 317 V CA 0.810 63.104 62.300 -0.010 0.000 1.035 317 V CB 0.103 31.924 31.823 -0.002 0.000 0.673 317 V HN 0.617 nan 8.190 nan 0.000 0.457 318 V N 1.021 120.925 119.914 -0.016 0.000 2.483 318 V HA 0.395 4.516 4.120 0.002 0.000 0.297 318 V C -0.952 175.122 176.094 -0.033 0.000 1.027 318 V CA -0.739 61.551 62.300 -0.016 0.000 0.855 318 V CB 1.784 33.605 31.823 -0.003 0.000 0.995 318 V HN 0.294 nan 8.190 nan 0.000 0.424 319 D N 5.285 125.661 120.400 -0.041 0.000 2.365 319 D HA 0.517 5.158 4.640 0.002 0.000 0.237 319 D C -0.796 175.461 176.300 -0.072 0.000 1.190 319 D CA 0.247 54.209 54.000 -0.064 0.000 0.867 319 D CB 0.799 41.559 40.800 -0.067 0.000 1.050 319 D HN 0.393 nan 8.370 nan 0.000 0.491 320 L N 4.487 125.656 121.223 -0.090 0.000 2.376 320 L HA 0.395 4.737 4.340 0.002 0.000 0.258 320 L C -2.125 174.638 176.870 -0.178 0.000 1.013 320 L CA -2.029 52.748 54.840 -0.106 0.000 0.822 320 L CB 3.110 45.141 42.059 -0.046 0.000 1.388 320 L HN 0.200 nan 8.230 nan 0.000 0.413 321 P HA 0.083 nan 4.420 nan 0.000 0.218 321 P C -0.298 176.867 177.300 -0.225 0.000 1.793 321 P CA -0.055 62.809 63.100 -0.394 0.000 0.941 321 P CB -0.102 31.087 31.700 -0.852 0.000 1.919 322 V N 0.965 120.798 119.914 -0.135 0.000 2.655 322 V HA 0.314 4.436 4.120 0.002 0.000 0.300 322 V C 1.789 177.843 176.094 -0.066 0.000 1.044 322 V CA 1.556 63.800 62.300 -0.094 0.000 1.095 322 V CB 0.073 31.848 31.823 -0.080 0.000 0.952 322 V HN 0.678 nan 8.190 nan 0.000 0.485 323 G N 3.631 112.363 108.800 -0.113 0.000 2.176 323 G HA2 -0.201 3.760 3.960 0.002 0.000 0.253 323 G HA3 -0.201 3.760 3.960 0.002 0.000 0.253 323 G C 0.011 174.793 174.900 -0.197 0.000 0.979 323 G CA 0.267 45.252 45.100 -0.191 0.000 0.641 323 G HN 0.526 nan 8.290 nan 0.000 0.530 324 L N -1.079 120.088 121.223 -0.094 0.000 2.416 324 L HA 0.639 4.981 4.340 0.002 0.000 0.263 324 L C 1.361 178.268 176.870 0.060 0.000 1.065 324 L CA -0.236 54.603 54.840 -0.001 0.000 0.798 324 L CB 0.781 42.835 42.059 -0.009 0.000 1.267 324 L HN 0.129 nan 8.230 nan 0.000 0.467 325 N N 0.062 118.869 118.700 0.178 0.000 2.829 325 N HA -0.187 4.554 4.740 0.002 0.000 0.250 325 N C -0.691 174.789 175.510 -0.050 0.000 1.090 325 N CA 0.316 53.432 53.050 0.110 0.000 0.781 325 N CB -1.083 37.499 38.487 0.159 0.000 1.124 325 N HN 0.412 nan 8.380 nan 0.000 0.559 326 L N 1.381 122.543 121.223 -0.101 0.000 2.477 326 L HA 0.240 4.581 4.340 0.002 0.000 0.272 326 L C -0.004 176.769 176.870 -0.162 0.000 1.157 326 L CA 0.787 55.520 54.840 -0.178 0.000 0.889 326 L CB 0.396 42.258 42.059 -0.328 0.000 1.158 326 L HN 0.176 nan 8.230 nan 0.000 0.473 327 Q N 4.213 123.949 119.800 -0.107 0.000 2.339 327 Q HA 0.444 4.785 4.340 0.002 0.000 0.268 327 Q C -1.359 174.636 176.000 -0.008 0.000 1.027 327 Q CA -0.571 55.197 55.803 -0.059 0.000 0.759 327 Q CB 1.864 30.598 28.738 -0.006 0.000 1.244 327 Q HN 0.662 nan 8.270 nan 0.000 0.464 328 D N 1.343 121.732 120.400 -0.018 0.000 2.490 328 D HA 0.292 4.933 4.640 0.002 0.000 0.232 328 D C -1.024 175.347 176.300 0.119 0.000 1.053 328 D CA -0.441 53.612 54.000 0.087 0.000 0.914 328 D CB 1.592 42.486 40.800 0.156 0.000 1.431 328 D HN 0.304 nan 8.370 nan 0.000 0.483 329 Q N -0.288 119.562 119.800 0.083 0.000 2.195 329 Q HA 0.611 4.953 4.340 0.002 0.000 0.250 329 Q C -0.530 175.415 176.000 -0.092 0.000 0.988 329 Q CA -0.869 54.940 55.803 0.011 0.000 0.911 329 Q CB 1.688 30.419 28.738 -0.010 0.000 1.258 329 Q HN 0.524 nan 8.270 nan 0.000 0.475 330 T N -1.849 112.618 114.554 -0.146 0.000 2.855 330 T HA 0.618 4.969 4.350 0.002 0.000 0.281 330 T C -0.375 174.316 174.700 -0.016 0.000 1.007 330 T CA -0.776 61.184 62.100 -0.232 0.000 1.009 330 T CB 1.475 70.024 68.868 -0.532 0.000 0.983 330 T HN 0.385 nan 8.240 nan 0.000 0.455 331 T N 2.020 116.591 114.554 0.028 0.000 2.841 331 T HA 0.770 5.121 4.350 0.002 0.000 0.283 331 T C -0.418 174.416 174.700 0.223 0.000 1.000 331 T CA -0.617 61.556 62.100 0.120 0.000 0.977 331 T CB 1.424 70.257 68.868 -0.058 0.000 0.979 331 T HN 1.098 nan 8.240 nan 0.000 0.446 332 A N 2.167 125.146 122.820 0.265 0.000 2.479 332 A HA 0.905 5.227 4.320 0.002 0.000 0.296 332 A C -0.409 177.351 177.584 0.294 0.000 1.121 332 A CA -0.782 51.435 52.037 0.300 0.000 0.743 332 A CB 1.641 20.851 19.000 0.351 0.000 1.323 332 A HN 0.669 nan 8.150 nan 0.000 0.415 333 T N 0.488 115.234 114.554 0.320 0.000 2.863 333 T HA 0.606 4.957 4.350 0.002 0.000 0.285 333 T C -1.092 173.807 174.700 0.333 0.000 1.009 333 T CA -0.331 61.957 62.100 0.313 0.000 0.989 333 T CB 1.461 70.496 68.868 0.278 0.000 1.004 333 T HN 0.611 nan 8.240 nan 0.000 0.455 334 V N 3.248 123.365 119.914 0.339 0.000 2.525 334 V HA 0.636 4.758 4.120 0.002 0.000 0.299 334 V C -0.201 176.105 176.094 0.353 0.000 1.034 334 V CA -0.826 61.682 62.300 0.346 0.000 0.863 334 V CB 1.739 33.755 31.823 0.321 0.000 0.999 334 V HN 0.742 nan 8.190 nan 0.000 0.423 335 R N 2.753 123.428 120.500 0.292 0.000 2.628 335 R HA 0.788 5.130 4.340 0.002 0.000 0.288 335 R C -1.083 175.349 176.300 0.220 0.000 0.980 335 R CA -0.178 56.064 56.100 0.236 0.000 0.891 335 R CB 2.194 32.603 30.300 0.183 0.000 1.188 335 R HN 0.736 nan 8.270 nan 0.000 0.450 336 S N 2.110 117.926 115.700 0.193 0.000 2.548 336 S HA 0.467 4.938 4.470 0.002 0.000 0.286 336 S C -1.039 173.584 174.600 0.039 0.000 1.098 336 S CA -0.809 57.475 58.200 0.140 0.000 0.930 336 S CB 1.979 65.356 63.200 0.295 0.000 1.070 336 S HN 0.600 nan 8.310 nan 0.000 0.480 337 R N 1.715 122.174 120.500 -0.069 0.000 2.539 337 R HA 0.559 4.900 4.340 0.002 0.000 0.275 337 R C -0.471 175.785 176.300 -0.073 0.000 1.077 337 R CA -0.261 55.797 56.100 -0.071 0.000 1.097 337 R CB 0.202 30.435 30.300 -0.111 0.000 1.018 337 R HN 0.734 nan 8.270 nan 0.000 0.483 338 I N -1.197 119.366 120.570 -0.011 0.000 3.067 338 I HA 0.511 4.683 4.170 0.002 0.000 0.312 338 I C 0.143 176.289 176.117 0.048 0.000 1.073 338 I CA -1.117 60.210 61.300 0.046 0.000 1.016 338 I CB 2.088 40.136 38.000 0.081 0.000 1.227 338 I HN 0.636 nan 8.210 nan 0.000 0.456 339 T N -0.335 114.284 114.554 0.108 0.000 2.816 339 T HA 0.240 4.591 4.350 0.002 0.000 0.282 339 T C 0.930 175.686 174.700 0.094 0.000 0.993 339 T CA -0.218 61.932 62.100 0.085 0.000 0.994 339 T CB 1.200 70.120 68.868 0.088 0.000 1.025 339 T HN 0.648 nan 8.240 nan 0.000 0.529 340 S N 0.599 116.337 115.700 0.064 0.000 2.399 340 S HA -0.036 4.435 4.470 0.002 0.000 0.231 340 S C 2.452 177.099 174.600 0.079 0.000 1.022 340 S CA 0.870 59.102 58.200 0.054 0.000 0.983 340 S CB -0.971 62.249 63.200 0.034 0.000 0.803 340 S HN 0.881 nan 8.310 nan 0.000 0.480 341 A N 1.268 124.164 122.820 0.126 0.000 2.024 341 A HA 0.027 4.348 4.320 0.002 0.000 0.220 341 A C 2.134 179.847 177.584 0.215 0.000 1.164 341 A CA 1.580 53.729 52.037 0.186 0.000 0.643 341 A CB -0.976 18.160 19.000 0.227 0.000 0.806 341 A HN 0.526 nan 8.150 nan 0.000 0.451 342 G N -0.955 107.955 108.800 0.183 0.000 2.920 342 G HA2 0.387 4.348 3.960 0.002 0.000 0.208 342 G HA3 0.387 4.348 3.960 0.002 0.000 0.208 342 G C 0.708 175.565 174.900 -0.071 0.000 1.159 342 G CA 0.535 45.589 45.100 -0.077 0.000 0.784 342 G HN 0.790 nan 8.290 nan 0.000 0.535 343 A N -0.266 122.547 122.820 -0.011 0.000 2.536 343 A HA 0.582 4.903 4.320 0.002 0.000 0.234 343 A C 0.987 178.545 177.584 -0.043 0.000 1.076 343 A CA 0.937 52.961 52.037 -0.023 0.000 0.769 343 A CB -0.178 18.817 19.000 -0.007 0.000 1.020 343 A HN 1.781 nan 8.150 nan 0.000 0.508 344 G N 0.052 108.822 108.800 -0.050 0.000 2.362 344 G HA2 0.440 4.402 3.960 0.002 0.000 0.656 344 G HA3 0.440 4.402 3.960 0.002 0.000 0.656 344 G C -0.695 174.156 174.900 -0.081 0.000 1.376 344 G CA -0.219 44.839 45.100 -0.070 0.000 0.971 344 G HN 1.494 nan 8.290 nan 0.000 0.636 345 Q N -0.342 119.375 119.800 -0.137 0.000 2.316 345 Q HA 0.736 5.077 4.340 0.002 0.000 0.215 345 Q C 0.488 176.464 176.000 -0.040 0.000 1.020 345 Q CA -0.398 55.328 55.803 -0.128 0.000 0.970 345 Q CB 1.691 30.286 28.738 -0.239 0.000 1.187 345 Q HN 2.584 nan 8.270 nan 0.000 0.546 346 G N 0.198 109.008 108.800 0.017 0.000 2.521 346 G HA2 0.064 4.025 3.960 0.002 0.000 0.589 346 G HA3 0.064 4.025 3.960 0.002 0.000 0.589 346 G C -1.681 173.207 174.900 -0.021 0.000 1.501 346 G CA -0.909 44.239 45.100 0.080 0.000 0.887 346 G HN 0.551 nan 8.290 nan 0.000 0.654 347 Q N -0.546 119.194 119.800 -0.099 0.000 2.413 347 Q HA 0.857 5.198 4.340 0.002 0.000 0.276 347 Q C -0.057 175.674 176.000 -0.449 0.000 1.099 347 Q CA -0.516 55.162 55.803 -0.210 0.000 0.814 347 Q CB 2.572 31.271 28.738 -0.065 0.000 1.379 347 Q HN 1.675 nan 8.270 nan 0.000 0.436 348 A N 0.577 123.161 122.820 -0.393 0.000 2.602 348 A HA 0.959 5.281 4.320 0.002 0.000 0.290 348 A C -1.901 175.674 177.584 -0.015 0.000 1.114 348 A CA -0.288 51.593 52.037 -0.260 0.000 0.683 348 A CB 1.752 20.648 19.000 -0.173 0.000 1.281 348 A HN 0.717 nan 8.150 nan 0.000 0.416 349 A N -0.494 122.517 122.820 0.318 0.000 2.549 349 A HA 0.637 4.958 4.320 0.002 0.000 0.297 349 A C -1.909 175.965 177.584 0.483 0.000 1.061 349 A CA -0.260 51.982 52.037 0.341 0.000 0.690 349 A CB 1.087 20.321 19.000 0.389 0.000 1.287 349 A HN 1.716 nan 8.150 nan 0.000 0.402 350 W N 3.390 124.753 121.300 0.105 0.000 2.294 350 W HA 0.656 5.317 4.660 0.002 0.000 0.314 350 W C -2.010 174.468 176.519 -0.068 0.000 1.044 350 W CA -2.001 55.410 57.345 0.110 0.000 1.284 350 W CB 0.568 30.052 29.460 0.040 0.000 1.231 350 W HN 0.426 nan 8.180 nan 0.000 0.419 351 F N 5.359 125.542 119.950 0.389 0.000 2.404 351 F HA 0.464 4.993 4.527 0.002 0.000 0.359 351 F C 0.851 176.792 175.800 0.235 0.000 1.134 351 F CA -0.149 57.902 58.000 0.085 0.000 1.160 351 F CB 0.316 39.233 39.000 -0.139 0.000 1.186 351 F HN 0.408 nan 8.300 nan 0.000 0.526 352 A N 2.729 125.540 122.820 -0.014 0.000 2.305 352 A HA 0.628 4.949 4.320 0.002 0.000 0.322 352 A C 0.255 177.861 177.584 0.037 0.000 1.187 352 A CA -0.567 51.409 52.037 -0.101 0.000 0.825 352 A CB 0.385 18.901 19.000 -0.806 0.000 1.164 352 A HN 0.669 nan 8.150 nan 0.000 0.498 353 T N -0.618 114.004 114.554 0.114 0.000 2.754 353 T HA 0.285 4.636 4.350 0.002 0.000 0.286 353 T C 0.952 175.759 174.700 0.178 0.000 0.997 353 T CA 0.118 62.287 62.100 0.115 0.000 0.982 353 T CB 0.139 69.033 68.868 0.043 0.000 1.027 353 T HN 0.518 nan 8.240 nan 0.000 0.529 354 F N 1.815 121.797 119.950 0.054 0.000 2.065 354 F HA -0.169 4.359 4.527 0.002 0.000 0.298 354 F C 2.142 178.002 175.800 0.100 0.000 1.112 354 F CA 2.129 60.111 58.000 -0.029 0.000 1.212 354 F CB -0.548 38.345 39.000 -0.177 0.000 0.975 354 F HN 0.508 nan 8.300 nan 0.000 0.476 355 N N 0.287 119.183 118.700 0.327 0.000 2.244 355 N HA -0.126 4.616 4.740 0.002 0.000 0.183 355 N C 1.677 177.274 175.510 0.145 0.000 1.016 355 N CA 1.371 54.578 53.050 0.261 0.000 0.866 355 N CB -0.394 38.256 38.487 0.273 0.000 0.980 355 N HN 0.467 nan 8.380 nan 0.000 0.430 356 E N -0.438 119.837 120.200 0.124 0.000 2.106 356 E HA -0.075 4.276 4.350 0.002 0.000 0.192 356 E C 1.462 177.991 176.600 -0.117 0.000 0.984 356 E CA 1.204 57.656 56.400 0.088 0.000 0.806 356 E CB 0.017 29.836 29.700 0.198 0.000 0.750 356 E HN 0.304 nan 8.360 nan 0.000 0.458 357 T N 0.283 114.708 114.554 -0.215 0.000 2.701 357 T HA -0.095 4.256 4.350 0.002 0.000 0.263 357 T C 1.381 175.771 174.700 -0.516 0.000 1.040 357 T CA 0.998 62.829 62.100 -0.448 0.000 1.147 357 T CB -0.264 68.324 68.868 -0.466 0.000 0.865 357 T HN 0.081 nan 8.240 nan 0.000 0.426 358 F N 1.264 121.050 119.950 -0.274 0.000 2.456 358 F HA 0.247 4.775 4.527 0.002 0.000 0.298 358 F C 2.088 177.867 175.800 -0.034 0.000 1.104 358 F CA 0.376 58.249 58.000 -0.211 0.000 1.435 358 F CB -0.926 37.888 39.000 -0.310 0.000 1.078 358 F HN 0.376 nan 8.300 nan 0.000 0.546 359 G N 0.795 109.668 108.800 0.122 0.000 2.622 359 G HA2 -0.398 3.564 3.960 0.002 0.000 0.307 359 G HA3 -0.398 3.564 3.960 0.002 0.000 0.307 359 G C 0.833 175.827 174.900 0.157 0.000 1.226 359 G CA 0.634 45.809 45.100 0.125 0.000 0.997 359 G HN 0.244 nan 8.290 nan 0.000 0.551 360 D N 0.014 120.490 120.400 0.127 0.000 2.351 360 D HA 0.005 4.646 4.640 0.002 0.000 0.216 360 D C 1.767 178.062 176.300 -0.009 0.000 0.968 360 D CA 1.092 55.114 54.000 0.037 0.000 0.899 360 D CB -0.107 40.671 40.800 -0.037 0.000 0.907 360 D HN 0.486 nan 8.370 nan 0.000 0.514 361 Y N 0.497 120.837 120.300 0.067 0.000 2.490 361 Y HA 0.057 4.609 4.550 0.002 0.000 0.281 361 Y C 2.311 178.209 175.900 -0.004 0.000 1.174 361 Y CA -0.030 58.101 58.100 0.051 0.000 1.295 361 Y CB 0.142 38.673 38.460 0.118 0.000 1.062 361 Y HN -0.145 nan 8.280 nan 0.000 0.522 362 S N -0.009 115.799 115.700 0.180 0.000 2.359 362 S HA -0.210 4.261 4.470 0.002 0.000 0.224 362 S C 1.913 176.637 174.600 0.206 0.000 1.035 362 S CA 1.478 59.786 58.200 0.179 0.000 1.018 362 S CB -0.125 63.237 63.200 0.270 0.000 0.876 362 S HN 0.507 nan 8.310 nan 0.000 0.448 363 E N 1.239 121.518 120.200 0.132 0.000 2.058 363 E HA -0.172 4.179 4.350 0.002 0.000 0.194 363 E C 2.063 178.705 176.600 0.070 0.000 0.997 363 E CA 1.116 57.575 56.400 0.098 0.000 0.801 363 E CB -0.230 29.488 29.700 0.029 0.000 0.746 363 E HN 0.505 nan 8.360 nan 0.000 0.450 364 K N 0.560 120.973 120.400 0.022 0.000 2.057 364 K HA -0.060 4.262 4.320 0.002 0.000 0.206 364 K C 2.188 178.748 176.600 -0.067 0.000 1.050 364 K CA 1.137 57.422 56.287 -0.004 0.000 0.935 364 K CB -0.155 32.363 32.500 0.029 0.000 0.715 364 K HN 0.048 nan 8.250 nan 0.000 0.439 365 A N 1.192 123.885 122.820 -0.212 0.000 1.902 365 A HA -0.193 4.129 4.320 0.002 0.000 0.217 365 A C 1.840 179.330 177.584 -0.157 0.000 1.181 365 A CA 1.366 53.134 52.037 -0.448 0.000 0.623 365 A CB -0.688 17.446 19.000 -1.443 0.000 0.818 365 A HN 0.290 nan 8.150 nan 0.000 0.443 366 H N -0.803 118.280 119.070 0.020 0.000 2.421 366 H HA -0.103 4.454 4.556 0.002 0.000 0.298 366 H C 2.085 177.370 175.328 -0.072 0.000 1.087 366 H CA 1.602 57.637 56.048 -0.021 0.000 1.330 366 H CB -0.062 29.691 29.762 -0.016 0.000 1.388 366 H HN 0.735 nan 8.280 nan 0.000 0.526 367 E N 0.786 121.012 120.200 0.043 0.000 2.051 367 E HA -0.134 4.217 4.350 0.002 0.000 0.192 367 E C 2.345 178.900 176.600 -0.074 0.000 0.991 367 E CA 0.547 56.936 56.400 -0.018 0.000 0.799 367 E CB 0.082 29.771 29.700 -0.017 0.000 0.748 367 E HN 0.360 nan 8.360 nan 0.000 0.449 368 L N 0.421 121.600 121.223 -0.073 0.000 2.017 368 L HA -0.204 4.137 4.340 0.002 0.000 0.208 368 L C 2.728 179.455 176.870 -0.238 0.000 1.073 368 L CA 0.536 55.309 54.840 -0.113 0.000 0.745 368 L CB -0.475 41.618 42.059 0.057 0.000 0.894 368 L HN 0.259 nan 8.230 nan 0.000 0.432 369 L N 0.448 121.593 121.223 -0.130 0.000 2.043 369 L HA -0.241 4.100 4.340 0.002 0.000 0.212 369 L C 2.230 178.987 176.870 -0.189 0.000 1.075 369 L CA 1.849 56.590 54.840 -0.164 0.000 0.752 369 L CB -0.727 41.206 42.059 -0.210 0.000 0.891 369 L HN 0.287 nan 8.230 nan 0.000 0.432 370 N N -1.399 117.214 118.700 -0.144 0.000 2.354 370 N HA -0.071 4.670 4.740 0.002 0.000 0.179 370 N C 1.602 177.012 175.510 -0.167 0.000 1.021 370 N CA 1.626 54.605 53.050 -0.118 0.000 0.887 370 N CB -0.198 38.246 38.487 -0.072 0.000 0.974 370 N HN 0.621 nan 8.380 nan 0.000 0.437 371 T N -2.999 111.412 114.554 -0.237 0.000 2.969 371 T HA 0.244 4.595 4.350 0.002 0.000 0.250 371 T C 1.250 175.734 174.700 -0.361 0.000 1.021 371 T CA 0.036 61.991 62.100 -0.242 0.000 1.003 371 T CB 0.362 69.119 68.868 -0.185 0.000 1.040 371 T HN -0.094 nan 8.240 nan 0.000 0.492 372 K N 1.122 121.133 120.400 -0.649 0.000 2.358 372 K HA 0.408 4.730 4.320 0.002 0.000 0.197 372 K C 1.734 177.766 176.600 -0.947 0.000 1.025 372 K CA -0.132 55.584 56.287 -0.951 0.000 1.104 372 K CB 0.115 31.589 32.500 -1.710 0.000 0.855 372 K HN 0.356 nan 8.250 nan 0.000 0.531 373 L N 0.991 121.891 121.223 -0.539 0.000 2.043 373 L HA -0.209 4.132 4.340 0.002 0.000 0.212 373 L C 2.525 179.470 176.870 0.124 0.000 1.075 373 L CA 1.445 56.236 54.840 -0.082 0.000 0.752 373 L CB -0.373 41.731 42.059 0.076 0.000 0.891 373 L HN 0.229 nan 8.230 nan 0.000 0.432 374 E N 0.215 120.410 120.200 -0.007 0.000 2.072 374 E HA -0.240 4.111 4.350 0.002 0.000 0.190 374 E C 2.088 178.719 176.600 0.052 0.000 0.982 374 E CA 1.212 57.630 56.400 0.031 0.000 0.803 374 E CB 0.011 29.697 29.700 -0.023 0.000 0.755 374 E HN 0.500 nan 8.360 nan 0.000 0.453 375 Q N -0.554 119.229 119.800 -0.028 0.000 2.061 375 Q HA -0.165 4.176 4.340 0.002 0.000 0.204 375 Q C 1.971 178.089 176.000 0.198 0.000 0.984 375 Q CA 1.678 57.492 55.803 0.019 0.000 0.846 375 Q CB -0.208 28.483 28.738 -0.078 0.000 0.902 375 Q HN 0.283 nan 8.270 nan 0.000 0.421 376 W N 0.025 121.394 121.300 0.115 0.000 2.358 376 W HA -0.069 4.592 4.660 0.002 0.000 0.303 376 W C 2.384 179.086 176.519 0.304 0.000 1.208 376 W CA 1.030 58.483 57.345 0.182 0.000 1.274 376 W CB -1.142 28.387 29.460 0.115 0.000 1.138 376 W HN 0.356 nan 8.180 nan 0.000 0.515 377 A N 0.360 123.494 122.820 0.523 0.000 1.898 377 A HA -0.193 4.128 4.320 0.002 0.000 0.216 377 A C 1.922 179.603 177.584 0.161 0.000 1.181 377 A CA 1.683 53.868 52.037 0.247 0.000 0.620 377 A CB -0.715 18.296 19.000 0.019 0.000 0.819 377 A HN 0.364 nan 8.150 nan 0.000 0.442 378 E N -0.057 120.230 120.200 0.145 0.000 2.077 378 E HA -0.220 4.131 4.350 0.002 0.000 0.193 378 E C 1.964 178.638 176.600 0.123 0.000 0.989 378 E CA 1.437 57.899 56.400 0.103 0.000 0.800 378 E CB -0.246 29.501 29.700 0.078 0.000 0.746 378 E HN 0.748 nan 8.360 nan 0.000 0.452 379 E N 0.799 121.099 120.200 0.167 0.000 2.077 379 E HA -0.168 4.183 4.350 0.002 0.000 0.193 379 E C 2.107 178.795 176.600 0.146 0.000 0.989 379 E CA 0.932 57.425 56.400 0.154 0.000 0.800 379 E CB -0.131 29.682 29.700 0.188 0.000 0.746 379 E HN 0.223 nan 8.360 nan 0.000 0.452 380 A N 0.945 123.872 122.820 0.178 0.000 1.930 380 A HA -0.124 4.197 4.320 0.002 0.000 0.217 380 A C 2.481 180.152 177.584 0.146 0.000 1.175 380 A CA 1.005 53.138 52.037 0.160 0.000 0.627 380 A CB -0.527 18.589 19.000 0.194 0.000 0.815 380 A HN 0.113 nan 8.150 nan 0.000 0.443 381 V N -0.217 119.778 119.914 0.136 0.000 2.358 381 V HA -0.218 3.903 4.120 0.002 0.000 0.246 381 V C 3.020 179.164 176.094 0.083 0.000 1.047 381 V CA 1.806 64.176 62.300 0.117 0.000 1.035 381 V CB -1.066 30.811 31.823 0.089 0.000 0.658 381 V HN 0.601 nan 8.190 nan 0.000 0.452 382 A N -0.284 122.583 122.820 0.077 0.000 2.019 382 A HA -0.188 4.133 4.320 0.002 0.000 0.219 382 A C 2.275 179.897 177.584 0.064 0.000 1.164 382 A CA 1.390 53.462 52.037 0.059 0.000 0.644 382 A CB -0.447 18.590 19.000 0.061 0.000 0.805 382 A HN 0.513 nan 8.150 nan 0.000 0.449 383 R N -1.490 119.063 120.500 0.088 0.000 2.313 383 R HA 0.157 4.498 4.340 0.002 0.000 0.199 383 R C 1.231 177.609 176.300 0.129 0.000 0.958 383 R CA 0.542 56.705 56.100 0.105 0.000 1.047 383 R CB -0.095 30.272 30.300 0.111 0.000 0.955 383 R HN 0.687 nan 8.270 nan 0.000 0.481 384 G N -0.184 108.673 108.800 0.096 0.000 2.143 384 G HA2 -0.260 3.702 3.960 0.002 0.000 0.249 384 G HA3 -0.260 3.702 3.960 0.002 0.000 0.249 384 G C 0.748 175.752 174.900 0.172 0.000 0.981 384 G CA 0.148 45.285 45.100 0.062 0.000 0.665 384 G HN 0.498 nan 8.290 nan 0.000 0.528 385 G N -1.143 107.782 108.800 0.208 0.000 2.623 385 G HA2 0.421 4.383 3.960 0.002 0.000 0.214 385 G HA3 0.421 4.383 3.960 0.002 0.000 0.214 385 G C 0.275 175.353 174.900 0.298 0.000 1.138 385 G CA 1.012 46.242 45.100 0.217 0.000 0.794 385 G HN 0.890 nan 8.290 nan 0.000 0.535 386 F N -1.276 118.712 119.950 0.064 0.000 2.741 386 F HA 0.399 4.927 4.527 0.002 0.000 0.311 386 F C 0.467 176.345 175.800 0.130 0.000 1.149 386 F CA -1.234 56.822 58.000 0.094 0.000 0.930 386 F CB 1.098 40.103 39.000 0.008 0.000 1.312 386 F HN 0.064 nan 8.300 nan 0.000 0.450 387 H N 0.205 118.936 119.070 -0.564 0.000 2.874 387 H HA 0.326 4.883 4.556 0.002 0.000 0.264 387 H C -0.581 174.629 175.328 -0.196 0.000 1.007 387 H CA 0.069 55.929 56.048 -0.313 0.000 1.207 387 H CB 0.156 29.702 29.762 -0.360 0.000 1.487 387 H HN 0.301 nan 8.280 nan 0.000 0.505 388 N N 2.080 120.346 118.700 -0.724 0.000 2.483 388 N HA 0.051 4.792 4.740 0.002 0.000 0.267 388 N C 0.931 176.414 175.510 -0.046 0.000 0.998 388 N CA 0.450 53.265 53.050 -0.391 0.000 0.918 388 N CB 1.866 40.017 38.487 -0.560 0.000 1.215 388 N HN 0.251 nan 8.380 nan 0.000 0.500 389 T N 0.158 114.689 114.554 -0.038 0.000 2.720 389 T HA -0.153 4.199 4.350 0.002 0.000 0.268 389 T C 1.488 176.160 174.700 -0.047 0.000 1.037 389 T CA 1.858 63.948 62.100 -0.016 0.000 1.144 389 T CB -0.508 68.353 68.868 -0.011 0.000 0.864 389 T HN 0.418 nan 8.240 nan 0.000 0.444 390 T N 2.341 116.864 114.554 -0.052 0.000 2.708 390 T HA 0.088 4.439 4.350 0.002 0.000 0.266 390 T C 2.519 177.175 174.700 -0.072 0.000 1.037 390 T CA 1.300 63.365 62.100 -0.059 0.000 1.146 390 T CB -0.875 67.961 68.868 -0.053 0.000 0.865 390 T HN 0.605 nan 8.240 nan 0.000 0.435 391 A N 1.190 123.988 122.820 -0.037 0.000 1.933 391 A HA 0.011 4.332 4.320 0.002 0.000 0.218 391 A C 2.235 179.725 177.584 -0.156 0.000 1.175 391 A CA 1.116 53.143 52.037 -0.018 0.000 0.628 391 A CB -0.736 18.345 19.000 0.134 0.000 0.814 391 A HN 0.380 nan 8.150 nan 0.000 0.444 392 L N -0.658 120.424 121.223 -0.236 0.000 2.093 392 L HA -0.071 4.270 4.340 0.002 0.000 0.208 392 L C 2.199 178.696 176.870 -0.621 0.000 1.085 392 L CA 1.890 56.367 54.840 -0.606 0.000 0.755 392 L CB -0.725 40.998 42.059 -0.560 0.000 0.904 392 L HN 0.372 nan 8.230 nan 0.000 0.435 393 L N -0.456 120.558 121.223 -0.348 0.000 2.079 393 L HA -0.211 4.130 4.340 0.002 0.000 0.210 393 L C 2.337 179.116 176.870 -0.153 0.000 1.081 393 L CA 1.864 56.586 54.840 -0.198 0.000 0.752 393 L CB -0.565 41.447 42.059 -0.079 0.000 0.896 393 L HN 0.309 nan 8.230 nan 0.000 0.433 394 I N -0.755 119.707 120.570 -0.180 0.000 2.226 394 I HA -0.343 3.829 4.170 0.002 0.000 0.245 394 I C 2.547 178.530 176.117 -0.223 0.000 1.100 394 I CA 1.494 62.686 61.300 -0.181 0.000 1.374 394 I CB -0.398 37.486 38.000 -0.194 0.000 1.057 394 I HN 0.418 nan 8.210 nan 0.000 0.413 395 Q N -0.306 119.331 119.800 -0.272 0.000 2.096 395 Q HA -0.225 4.117 4.340 0.002 0.000 0.204 395 Q C 2.227 178.042 176.000 -0.308 0.000 0.982 395 Q CA 1.585 57.216 55.803 -0.287 0.000 0.850 395 Q CB -0.235 28.246 28.738 -0.429 0.000 0.901 395 Q HN 0.486 nan 8.270 nan 0.000 0.422 396 Y N 1.222 121.353 120.300 -0.281 0.000 2.242 396 Y HA -0.124 4.427 4.550 0.002 0.000 0.291 396 Y C 2.002 177.911 175.900 0.015 0.000 1.137 396 Y CA 0.760 58.808 58.100 -0.087 0.000 1.181 396 Y CB -0.460 38.108 38.460 0.180 0.000 0.989 396 Y HN 0.201 nan 8.280 nan 0.000 0.527 397 E N -0.226 120.042 120.200 0.114 0.000 2.110 397 E HA -0.231 4.121 4.350 0.002 0.000 0.193 397 E C 1.958 178.550 176.600 -0.012 0.000 0.988 397 E CA 1.122 57.551 56.400 0.049 0.000 0.804 397 E CB -0.214 29.485 29.700 -0.001 0.000 0.745 397 E HN 0.344 nan 8.360 nan 0.000 0.458 398 N N 0.059 118.689 118.700 -0.117 0.000 2.084 398 N HA -0.196 4.545 4.740 0.002 0.000 0.190 398 N C 1.537 176.813 175.510 -0.391 0.000 1.030 398 N CA 1.278 54.188 53.050 -0.233 0.000 0.849 398 N CB -0.143 38.170 38.487 -0.291 0.000 1.012 398 N HN 0.114 nan 8.380 nan 0.000 0.423 399 Y N 1.068 121.052 120.300 -0.527 0.000 2.242 399 Y HA 0.006 4.558 4.550 0.002 0.000 0.291 399 Y C 2.585 178.456 175.900 -0.048 0.000 1.137 399 Y CA 0.884 58.708 58.100 -0.460 0.000 1.181 399 Y CB -0.763 37.461 38.460 -0.393 0.000 0.989 399 Y HN 0.156 nan 8.280 nan 0.000 0.527 400 R N 0.444 121.069 120.500 0.209 0.000 2.081 400 R HA -0.202 4.139 4.340 0.002 0.000 0.235 400 R C 1.920 178.281 176.300 0.103 0.000 1.131 400 R CA 1.986 58.169 56.100 0.138 0.000 0.960 400 R CB -0.452 29.913 30.300 0.109 0.000 0.856 400 R HN 0.266 nan 8.270 nan 0.000 0.436 401 D N -0.323 120.143 120.400 0.109 0.000 2.116 401 D HA -0.217 4.425 4.640 0.002 0.000 0.193 401 D C 1.512 178.022 176.300 0.351 0.000 0.998 401 D CA 1.625 55.736 54.000 0.185 0.000 0.836 401 D CB -0.194 40.725 40.800 0.199 0.000 0.951 401 D HN 0.294 nan 8.370 nan 0.000 0.449 402 W N 0.560 121.953 121.300 0.156 0.000 2.321 402 W HA -0.074 4.587 4.660 0.002 0.000 0.306 402 W C 2.435 178.970 176.519 0.027 0.000 1.217 402 W CA 0.432 57.831 57.345 0.090 0.000 1.257 402 W CB -1.131 28.333 29.460 0.007 0.000 1.145 402 W HN 0.162 nan 8.180 nan 0.000 0.509 403 I N -0.144 120.568 120.570 0.236 0.000 2.235 403 I HA -0.233 3.939 4.170 0.002 0.000 0.241 403 I C 2.385 178.514 176.117 0.019 0.000 1.085 403 I CA 1.667 62.999 61.300 0.052 0.000 1.378 403 I CB -0.991 36.908 38.000 -0.167 0.000 1.076 403 I HN -0.157 nan 8.210 nan 0.000 0.415 404 V N -1.462 118.461 119.914 0.015 0.000 2.591 404 V HA -0.002 4.119 4.120 0.002 0.000 0.249 404 V C 1.747 177.828 176.094 -0.023 0.000 1.053 404 V CA 1.591 63.891 62.300 0.001 0.000 1.068 404 V CB -0.591 31.225 31.823 -0.013 0.000 0.689 404 V HN 0.361 nan 8.190 nan 0.000 0.462 405 N N -0.582 118.104 118.700 -0.023 0.000 2.454 405 N HA 0.071 4.813 4.740 0.002 0.000 0.177 405 N C 1.646 176.971 175.510 -0.309 0.000 1.049 405 N CA 1.090 54.043 53.050 -0.161 0.000 0.887 405 N CB -0.108 38.262 38.487 -0.194 0.000 1.095 405 N HN 0.616 nan 8.380 nan 0.000 0.446 406 H N 0.403 119.470 119.070 -0.005 0.000 2.622 406 H HA 0.188 4.746 4.556 0.002 0.000 0.269 406 H C -0.039 175.206 175.328 -0.138 0.000 0.977 406 H CA -0.087 55.907 56.048 -0.090 0.000 1.179 406 H CB 0.430 30.062 29.762 -0.216 0.000 1.458 406 H HN 0.259 nan 8.280 nan 0.000 0.531 407 N N 1.648 120.348 118.700 0.001 0.000 2.714 407 N HA -0.171 4.570 4.740 0.002 0.000 0.252 407 N C 0.139 175.600 175.510 -0.081 0.000 1.014 407 N CA 0.144 53.185 53.050 -0.015 0.000 0.735 407 N CB -0.692 37.788 38.487 -0.011 0.000 0.924 407 N HN 0.114 nan 8.380 nan 0.000 0.540 408 V N -1.673 118.166 119.914 -0.125 0.000 3.185 408 V HA 0.658 4.779 4.120 0.002 0.000 0.305 408 V C 1.051 177.142 176.094 -0.004 0.000 1.090 408 V CA -0.106 62.084 62.300 -0.183 0.000 1.107 408 V CB 1.358 32.990 31.823 -0.319 0.000 1.061 408 V HN 0.332 nan 8.190 nan 0.000 0.480 409 A N 1.942 124.779 122.820 0.029 0.000 2.488 409 A HA 0.371 4.692 4.320 0.002 0.000 0.249 409 A C 0.218 177.910 177.584 0.179 0.000 1.083 409 A CA 0.080 52.194 52.037 0.129 0.000 0.768 409 A CB -0.394 18.749 19.000 0.237 0.000 1.017 409 A HN 1.265 nan 8.150 nan 0.000 0.496 410 Y N 2.498 122.823 120.300 0.041 0.000 2.524 410 Y HA 0.232 4.783 4.550 0.002 0.000 0.270 410 Y C 0.962 176.831 175.900 -0.051 0.000 1.094 410 Y CA 0.816 58.953 58.100 0.061 0.000 1.276 410 Y CB 0.279 38.844 38.460 0.175 0.000 1.130 410 Y HN 0.757 nan 8.280 nan 0.000 0.536 411 S N -0.389 115.190 115.700 -0.202 0.000 2.595 411 S HA 0.485 4.956 4.470 0.002 0.000 0.281 411 S C -1.242 173.020 174.600 -0.563 0.000 1.117 411 S CA -0.910 57.020 58.200 -0.450 0.000 0.873 411 S CB 2.484 65.395 63.200 -0.481 0.000 1.108 411 S HN 0.279 nan 8.310 nan 0.000 0.477 412 E N 0.804 120.495 120.200 -0.849 0.000 2.224 412 E HA 0.526 4.877 4.350 0.002 0.000 0.265 412 E C -1.865 174.193 176.600 -0.904 0.000 0.878 412 E CA -0.821 54.920 56.400 -1.098 0.000 0.759 412 E CB 1.107 29.839 29.700 -1.614 0.000 1.164 412 E HN 0.576 nan 8.360 nan 0.000 0.414 413 L N 5.440 126.342 121.223 -0.534 0.000 2.283 413 L HA 0.367 4.708 4.340 0.002 0.000 0.281 413 L C -0.773 176.191 176.870 0.156 0.000 1.033 413 L CA -0.312 54.408 54.840 -0.200 0.000 0.848 413 L CB 0.514 42.416 42.059 -0.262 0.000 1.226 413 L HN 0.485 nan 8.230 nan 0.000 0.429 414 F N 4.326 124.320 119.950 0.075 0.000 2.411 414 F HA 0.554 5.082 4.527 0.002 0.000 0.355 414 F C -0.410 175.572 175.800 0.304 0.000 1.117 414 F CA -0.672 57.463 58.000 0.225 0.000 1.139 414 F CB 1.075 40.235 39.000 0.266 0.000 1.120 414 F HN 0.301 nan 8.300 nan 0.000 0.493 415 L N 6.648 127.845 121.223 -0.044 0.000 2.295 415 L HA 0.462 4.804 4.340 0.002 0.000 0.285 415 L C -1.027 175.766 176.870 -0.128 0.000 1.035 415 L CA -0.049 54.654 54.840 -0.229 0.000 0.806 415 L CB 0.987 42.815 42.059 -0.386 0.000 1.214 415 L HN 0.523 nan 8.230 nan 0.000 0.426 416 D N 2.595 122.983 120.400 -0.021 0.000 2.350 416 D HA 0.458 5.100 4.640 0.002 0.000 0.245 416 D C -0.058 176.228 176.300 -0.024 0.000 1.036 416 D CA 0.079 54.123 54.000 0.073 0.000 0.848 416 D CB 2.211 43.131 40.800 0.200 0.000 1.307 416 D HN 0.768 nan 8.370 nan 0.000 0.469 417 T N -1.375 113.168 114.554 -0.017 0.000 1.944 417 T HA 0.461 4.812 4.350 0.002 0.000 0.177 417 T C 0.796 175.490 174.700 -0.009 0.000 0.694 417 T CA 0.451 62.528 62.100 -0.039 0.000 1.337 417 T CB -0.363 68.464 68.868 -0.069 0.000 3.196 417 T HN 0.510 nan 8.240 nan 0.000 0.405 418 A N 0.548 123.356 122.820 -0.019 0.000 2.560 418 A HA 0.233 4.554 4.320 0.002 0.000 0.299 418 A C 1.593 179.173 177.584 -0.005 0.000 1.484 418 A CA 1.564 53.593 52.037 -0.014 0.000 0.749 418 A CB -2.061 16.941 19.000 0.003 0.000 1.072 418 A HN 2.637 nan 8.150 nan 0.000 0.426 419 G N -3.727 105.066 108.800 -0.011 0.000 2.253 419 G HA2 0.217 4.179 3.960 0.002 0.000 0.209 419 G HA3 0.217 4.179 3.960 0.002 0.000 0.209 419 G C 0.915 175.818 174.900 0.005 0.000 0.997 419 G CA 0.794 45.893 45.100 -0.002 0.000 0.640 419 G HN 2.423 nan 8.290 nan 0.000 0.496 420 V N -3.135 116.782 119.914 0.006 0.000 3.112 420 V HA 0.981 5.103 4.120 0.002 0.000 0.310 420 V C -0.252 175.842 176.094 0.000 0.000 1.364 420 V CA -0.552 61.758 62.300 0.016 0.000 1.058 420 V CB 1.466 33.310 31.823 0.035 0.000 1.079 420 V HN 1.844 nan 8.190 nan 0.000 0.463 421 A N 0.811 123.641 122.820 0.016 0.000 2.536 421 A HA 0.800 5.122 4.320 0.002 0.000 0.329 421 A C -0.177 177.392 177.584 -0.025 0.000 1.321 421 A CA -0.114 51.903 52.037 -0.033 0.000 0.804 421 A CB 0.447 19.472 19.000 0.042 0.000 1.126 421 A HN 1.136 nan 8.150 nan 0.000 0.480 422 S N 1.876 117.534 115.700 -0.071 0.000 2.456 422 S HA 0.742 5.213 4.470 0.002 0.000 0.316 422 S C -1.139 173.459 174.600 -0.004 0.000 1.089 422 S CA -0.273 57.950 58.200 0.038 0.000 1.101 422 S CB -0.003 63.264 63.200 0.112 0.000 0.995 422 S HN 0.380 nan 8.310 nan 0.000 0.468 423 F N 2.875 122.952 119.950 0.211 0.000 2.427 423 F HA 0.415 4.944 4.527 0.002 0.000 0.346 423 F C 0.358 176.308 175.800 0.250 0.000 1.120 423 F CA -0.820 57.313 58.000 0.222 0.000 1.033 423 F CB 1.426 40.520 39.000 0.156 0.000 1.126 423 F HN 0.406 nan 8.300 nan 0.000 0.462 424 D N 2.788 123.502 120.400 0.524 0.000 2.233 424 D HA 0.496 5.137 4.640 0.002 0.000 0.240 424 D C -0.754 175.818 176.300 0.453 0.000 1.074 424 D CA 0.004 54.288 54.000 0.473 0.000 0.838 424 D CB 2.018 43.106 40.800 0.479 0.000 1.124 424 D HN 0.092 nan 8.370 nan 0.000 0.475 425 V N 3.222 123.340 119.914 0.340 0.000 2.628 425 V HA 0.710 4.831 4.120 0.002 0.000 0.306 425 V C -0.809 175.439 176.094 0.257 0.000 1.045 425 V CA -0.865 61.498 62.300 0.105 0.000 0.905 425 V CB 1.511 33.312 31.823 -0.038 0.000 0.997 425 V HN 0.607 nan 8.190 nan 0.000 0.436 426 W N 1.746 122.964 121.300 -0.138 0.000 3.256 426 W HA 0.637 5.298 4.660 0.002 0.000 0.324 426 W C -1.053 175.321 176.519 -0.240 0.000 1.196 426 W CA -0.924 56.323 57.345 -0.162 0.000 1.206 426 W CB 0.828 30.194 29.460 -0.156 0.000 1.385 426 W HN 0.522 nan 8.180 nan 0.000 0.522 427 D N 2.786 123.147 120.400 -0.064 0.000 2.358 427 D HA 0.064 4.705 4.640 0.002 0.000 0.258 427 D C 0.493 176.704 176.300 -0.148 0.000 1.223 427 D CA 0.088 53.903 54.000 -0.309 0.000 0.886 427 D CB 1.300 41.918 40.800 -0.303 0.000 1.120 427 D HN 0.678 nan 8.370 nan 0.000 0.482 428 L N 2.930 124.026 121.223 -0.213 0.000 2.313 428 L HA 0.027 4.369 4.340 0.002 0.000 0.214 428 L C 0.845 177.723 176.870 0.014 0.000 1.119 428 L CA 0.582 55.431 54.840 0.013 0.000 0.809 428 L CB -0.093 41.967 42.059 0.001 0.000 0.933 428 L HN 0.403 nan 8.230 nan 0.000 0.449 429 L N 1.735 122.911 121.223 -0.079 0.000 2.502 429 L HA 0.355 4.696 4.340 0.002 0.000 0.247 429 L C -2.366 174.569 176.870 0.109 0.000 1.180 429 L CA -1.701 53.120 54.840 -0.032 0.000 0.956 429 L CB 0.621 42.636 42.059 -0.073 0.000 1.282 429 L HN -0.159 nan 8.230 nan 0.000 0.470 430 P HA 0.127 nan 4.420 nan 0.000 0.275 430 P C 0.045 177.435 177.300 0.150 0.000 1.227 430 P CA -0.112 63.081 63.100 0.156 0.000 0.781 430 P CB 0.993 32.731 31.700 0.064 0.000 0.906 431 F N -0.761 119.185 119.950 -0.006 0.000 2.714 431 F HA 0.090 4.619 4.527 0.002 0.000 0.294 431 F C 1.872 177.640 175.800 -0.053 0.000 1.120 431 F CA 0.370 58.293 58.000 -0.129 0.000 1.398 431 F CB -0.257 38.432 39.000 -0.518 0.000 1.120 431 F HN 0.197 nan 8.300 nan 0.000 0.589 432 T N 1.917 116.510 114.554 0.065 0.000 2.903 432 T HA 0.218 4.569 4.350 0.002 0.000 0.314 432 T C 0.197 174.904 174.700 0.012 0.000 1.078 432 T CA -0.119 61.991 62.100 0.017 0.000 1.114 432 T CB 0.296 69.125 68.868 -0.065 0.000 0.987 432 T HN -0.058 nan 8.240 nan 0.000 0.548 433 R N 2.019 122.524 120.500 0.007 0.000 2.575 433 R HA 0.575 4.916 4.340 0.002 0.000 0.293 433 R C 0.235 176.502 176.300 -0.055 0.000 0.983 433 R CA -0.674 55.410 56.100 -0.025 0.000 0.887 433 R CB 1.834 32.142 30.300 0.013 0.000 1.184 433 R HN 0.831 nan 8.270 nan 0.000 0.445 434 G N 1.057 109.771 108.800 -0.143 0.000 3.107 434 G HA2 0.676 4.637 3.960 0.002 0.000 0.232 434 G HA3 0.676 4.637 3.960 0.002 0.000 0.232 434 G C -1.333 173.475 174.900 -0.154 0.000 1.339 434 G CA -0.355 44.608 45.100 -0.230 0.000 1.033 434 G HN 0.505 nan 8.290 nan 0.000 0.567 435 Y N -3.187 116.929 120.300 -0.307 0.000 2.689 435 Y HA 0.763 5.314 4.550 0.002 0.000 0.333 435 Y C -1.406 174.195 175.900 -0.498 0.000 1.190 435 Y CA -1.729 56.136 58.100 -0.393 0.000 1.063 435 Y CB 1.717 39.955 38.460 -0.370 0.000 1.294 435 Y HN 0.753 nan 8.280 nan 0.000 0.466 436 V N 2.582 122.302 119.914 -0.322 0.000 2.612 436 V HA 0.625 4.747 4.120 0.002 0.000 0.301 436 V C -1.832 174.068 176.094 -0.323 0.000 1.059 436 V CA -0.082 62.082 62.300 -0.227 0.000 0.886 436 V CB 1.394 33.102 31.823 -0.192 0.000 1.007 436 V HN 1.002 nan 8.190 nan 0.000 0.426 437 H N 5.773 124.935 119.070 0.154 0.000 2.851 437 H HA 0.504 5.062 4.556 0.002 0.000 0.372 437 H C -0.057 175.275 175.328 0.005 0.000 1.158 437 H CA -0.101 55.950 56.048 0.006 0.000 1.159 437 H CB 2.064 31.794 29.762 -0.054 0.000 1.757 437 H HN 0.917 nan 8.280 nan 0.000 0.546 438 I N -0.429 120.151 120.570 0.016 0.000 2.938 438 I HA 0.059 4.230 4.170 0.002 0.000 0.285 438 I C 0.146 176.257 176.117 -0.011 0.000 1.182 438 I CA -0.001 61.275 61.300 -0.040 0.000 1.388 438 I CB 0.715 38.521 38.000 -0.323 0.000 1.390 438 I HN 0.455 nan 8.210 nan 0.000 0.600 439 L N 2.170 123.374 121.223 -0.030 0.000 2.966 439 L HA 0.436 4.777 4.340 0.002 0.000 0.262 439 L C 0.096 177.002 176.870 0.059 0.000 1.165 439 L CA 0.152 54.930 54.840 -0.105 0.000 0.978 439 L CB 0.122 41.877 42.059 -0.507 0.000 1.337 439 L HN 0.779 nan 8.230 nan 0.000 0.563 440 D N -0.323 120.167 120.400 0.149 0.000 2.602 440 D HA 0.086 4.727 4.640 0.002 0.000 0.236 440 D C -0.203 176.221 176.300 0.207 0.000 1.209 440 D CA -0.324 53.788 54.000 0.187 0.000 0.831 440 D CB 2.834 43.778 40.800 0.238 0.000 1.478 440 D HN -0.189 nan 8.370 nan 0.000 0.438 441 K N 0.654 121.134 120.400 0.134 0.000 2.296 441 K HA -0.061 4.260 4.320 0.002 0.000 0.200 441 K C 0.195 176.816 176.600 0.035 0.000 1.048 441 K CA 0.349 56.715 56.287 0.131 0.000 0.966 441 K CB 0.130 32.665 32.500 0.058 0.000 0.754 441 K HN 0.235 nan 8.250 nan 0.000 0.466 442 D N 0.761 121.129 120.400 -0.053 0.000 2.325 442 D HA 0.067 4.709 4.640 0.002 0.000 0.251 442 D C -1.951 174.008 176.300 -0.569 0.000 1.196 442 D CA -2.434 51.424 54.000 -0.237 0.000 0.866 442 D CB 1.661 42.376 40.800 -0.142 0.000 1.101 442 D HN -0.044 nan 8.370 nan 0.000 0.476 443 P HA -0.113 nan 4.420 nan 0.000 0.218 443 P C 0.478 176.973 177.300 -1.340 0.000 1.149 443 P CA 1.071 63.118 63.100 -1.756 0.000 0.817 443 P CB -0.018 30.612 31.700 -1.784 0.000 0.785 444 Y N -1.686 118.260 120.300 -0.590 0.000 2.546 444 Y HA 0.081 4.632 4.550 0.002 0.000 0.287 444 Y C 1.981 177.616 175.900 -0.442 0.000 1.158 444 Y CA -0.051 57.717 58.100 -0.553 0.000 1.307 444 Y CB -0.968 37.309 38.460 -0.305 0.000 1.036 444 Y HN -0.104 nan 8.280 nan 0.000 0.532 445 L N -0.520 120.532 121.223 -0.285 0.000 2.240 445 L HA -0.049 4.292 4.340 0.002 0.000 0.211 445 L C 0.573 177.479 176.870 0.061 0.000 1.106 445 L CA 1.208 56.005 54.840 -0.073 0.000 0.793 445 L CB -0.711 41.327 42.059 -0.035 0.000 0.927 445 L HN 0.350 nan 8.230 nan 0.000 0.446 446 H N -0.568 118.557 119.070 0.093 0.000 2.692 446 H HA -0.244 4.313 4.556 0.002 0.000 0.316 446 H C -0.367 175.136 175.328 0.292 0.000 1.176 446 H CA 0.872 57.078 56.048 0.263 0.000 1.142 446 H CB -2.332 27.555 29.762 0.208 0.000 1.475 446 H HN 0.509 nan 8.280 nan 0.000 0.423 447 H N 0.653 119.842 119.070 0.199 0.000 2.685 447 H HA 0.448 5.005 4.556 0.002 0.000 0.286 447 H C -0.471 174.931 175.328 0.124 0.000 1.102 447 H CA -0.797 55.273 56.048 0.036 0.000 1.254 447 H CB -0.476 29.308 29.762 0.038 0.000 1.397 447 H HN 0.254 nan 8.280 nan 0.000 0.473 448 F N 1.824 121.769 119.950 -0.008 0.000 2.643 448 F HA 0.819 5.347 4.527 0.002 0.000 0.314 448 F C -1.341 174.443 175.800 -0.027 0.000 1.096 448 F CA -1.560 56.412 58.000 -0.047 0.000 0.953 448 F CB 0.924 39.933 39.000 0.015 0.000 1.345 448 F HN 0.449 nan 8.300 nan 0.000 0.468 449 A N 1.765 124.741 122.820 0.260 0.000 2.267 449 A HA 0.597 4.918 4.320 0.002 0.000 0.315 449 A C -2.193 175.564 177.584 0.288 0.000 1.297 449 A CA -0.533 51.633 52.037 0.215 0.000 0.865 449 A CB -0.046 19.091 19.000 0.227 0.000 1.165 449 A HN 0.846 nan 8.150 nan 0.000 0.513 450 Y N 2.645 123.014 120.300 0.115 0.000 2.402 450 Y HA 0.526 5.077 4.550 0.002 0.000 0.332 450 Y C -0.876 174.909 175.900 -0.191 0.000 0.960 450 Y CA -0.913 57.173 58.100 -0.022 0.000 1.228 450 Y CB 1.256 39.791 38.460 0.126 0.000 1.120 450 Y HN 0.600 nan 8.280 nan 0.000 0.491 451 D N 8.427 128.453 120.400 -0.624 0.000 2.420 451 D HA 0.369 5.010 4.640 0.002 0.000 0.255 451 D C -2.442 173.416 176.300 -0.736 0.000 1.185 451 D CA -2.465 51.153 54.000 -0.637 0.000 0.904 451 D CB 2.136 42.445 40.800 -0.818 0.000 1.102 451 D HN 0.294 nan 8.370 nan 0.000 0.534 452 P HA -0.001 nan 4.420 nan 0.000 0.233 452 P C -0.242 176.644 177.300 -0.690 0.000 1.167 452 P CA 0.411 63.029 63.100 -0.804 0.000 0.770 452 P CB 0.128 31.074 31.700 -1.257 0.000 0.837 453 Q N -2.794 116.710 119.800 -0.493 0.000 2.453 453 Q HA -0.222 4.119 4.340 0.002 0.000 0.294 453 Q C -0.770 175.085 176.000 -0.242 0.000 1.295 453 Q CA 0.065 55.707 55.803 -0.267 0.000 0.853 453 Q CB -2.729 25.910 28.738 -0.165 0.000 1.193 453 Q HN 0.359 nan 8.270 nan 0.000 0.461 454 Y N -0.344 119.840 120.300 -0.194 0.000 2.810 454 Y HA -0.074 4.477 4.550 0.002 0.000 0.332 454 Y C 1.158 176.843 175.900 -0.359 0.000 1.243 454 Y CA 0.713 58.549 58.100 -0.441 0.000 1.537 454 Y CB 0.034 38.142 38.460 -0.587 0.000 1.265 454 Y HN 0.264 nan 8.280 nan 0.000 0.572 455 F N -0.555 119.356 119.950 -0.064 0.000 3.069 455 F HA -0.308 4.220 4.527 0.002 0.000 0.285 455 F C 0.697 176.447 175.800 -0.084 0.000 0.827 455 F CA -0.012 57.917 58.000 -0.119 0.000 1.108 455 F CB -1.996 36.886 39.000 -0.197 0.000 1.252 455 F HN 0.549 nan 8.300 nan 0.000 0.483 456 L N -0.845 120.411 121.223 0.056 0.000 2.592 456 L HA 0.113 4.454 4.340 0.002 0.000 0.227 456 L C 1.239 178.098 176.870 -0.018 0.000 1.127 456 L CA 0.355 55.214 54.840 0.032 0.000 0.884 456 L CB -0.069 42.004 42.059 0.024 0.000 1.065 456 L HN 0.256 nan 8.230 nan 0.000 0.457 457 N N 1.149 119.805 118.700 -0.073 0.000 2.424 457 N HA 0.014 4.756 4.740 0.002 0.000 0.271 457 N C 0.996 176.355 175.510 -0.253 0.000 0.985 457 N CA -0.065 52.831 53.050 -0.257 0.000 0.921 457 N CB 1.728 40.014 38.487 -0.335 0.000 1.149 457 N HN 0.268 nan 8.380 nan 0.000 0.492 458 E N 3.289 123.321 120.200 -0.279 0.000 2.160 458 E HA -0.219 4.133 4.350 0.002 0.000 0.195 458 E C 1.429 177.948 176.600 -0.134 0.000 0.991 458 E CA 0.926 57.251 56.400 -0.124 0.000 0.810 458 E CB -0.062 29.648 29.700 0.017 0.000 0.742 458 E HN 0.487 nan 8.360 nan 0.000 0.466 459 L N 1.806 122.814 121.223 -0.358 0.000 2.156 459 L HA -0.068 4.274 4.340 0.002 0.000 0.208 459 L C 1.363 178.243 176.870 0.017 0.000 1.095 459 L CA 1.784 56.516 54.840 -0.181 0.000 0.770 459 L CB -0.195 41.604 42.059 -0.433 0.000 0.914 459 L HN -0.053 nan 8.230 nan 0.000 0.439 460 D N -0.475 119.910 120.400 -0.025 0.000 2.117 460 D HA -0.198 4.444 4.640 0.002 0.000 0.197 460 D C 2.119 178.543 176.300 0.207 0.000 0.987 460 D CA 1.478 55.549 54.000 0.118 0.000 0.829 460 D CB -0.240 40.609 40.800 0.081 0.000 0.961 460 D HN 0.311 nan 8.370 nan 0.000 0.460 461 L N 0.520 121.847 121.223 0.174 0.000 2.027 461 L HA -0.073 4.269 4.340 0.002 0.000 0.206 461 L C 2.121 178.979 176.870 -0.021 0.000 1.074 461 L CA 1.391 56.248 54.840 0.027 0.000 0.745 461 L CB -0.652 41.363 42.059 -0.074 0.000 0.898 461 L HN -0.000 nan 8.230 nan 0.000 0.433 462 L N -0.627 120.621 121.223 0.042 0.000 2.046 462 L HA -0.125 4.216 4.340 0.002 0.000 0.208 462 L C 2.504 179.429 176.870 0.092 0.000 1.077 462 L CA 1.353 56.246 54.840 0.088 0.000 0.747 462 L CB -1.342 40.816 42.059 0.164 0.000 0.896 462 L HN 0.465 nan 8.230 nan 0.000 0.432 463 G N -1.058 107.850 108.800 0.181 0.000 2.402 463 G HA2 -0.305 3.657 3.960 0.002 0.000 0.216 463 G HA3 -0.305 3.657 3.960 0.002 0.000 0.216 463 G C 1.515 176.292 174.900 -0.206 0.000 1.162 463 G CA 0.617 45.725 45.100 0.013 0.000 0.777 463 G HN 0.267 nan 8.290 nan 0.000 0.539 464 Q N 0.879 120.637 119.800 -0.071 0.000 2.084 464 Q HA 0.103 4.444 4.340 0.002 0.000 0.202 464 Q C 2.640 178.538 176.000 -0.170 0.000 0.978 464 Q CA 2.023 57.783 55.803 -0.072 0.000 0.844 464 Q CB -0.648 28.185 28.738 0.158 0.000 0.898 464 Q HN 0.353 nan 8.270 nan 0.000 0.426 465 A N 0.211 122.931 122.820 -0.166 0.000 1.898 465 A HA -0.005 4.316 4.320 0.002 0.000 0.216 465 A C 2.292 179.598 177.584 -0.464 0.000 1.181 465 A CA 1.810 53.729 52.037 -0.196 0.000 0.620 465 A CB -1.170 17.794 19.000 -0.059 0.000 0.819 465 A HN 0.517 nan 8.150 nan 0.000 0.442 466 A N -0.091 122.440 122.820 -0.482 0.000 1.902 466 A HA 0.145 4.466 4.320 0.002 0.000 0.217 466 A C 2.499 179.688 177.584 -0.659 0.000 1.181 466 A CA 2.154 53.809 52.037 -0.637 0.000 0.623 466 A CB -0.996 17.445 19.000 -0.932 0.000 0.818 466 A HN 1.047 nan 8.150 nan 0.000 0.443 467 A N -1.066 121.391 122.820 -0.605 0.000 1.930 467 A HA -0.038 4.284 4.320 0.002 0.000 0.217 467 A C 2.277 179.525 177.584 -0.561 0.000 1.175 467 A CA 2.172 53.868 52.037 -0.569 0.000 0.627 467 A CB -1.118 17.589 19.000 -0.489 0.000 0.815 467 A HN 0.442 nan 8.150 nan 0.000 0.443 468 T N -0.525 113.695 114.554 -0.557 0.000 2.857 468 T HA -0.146 4.205 4.350 0.002 0.000 0.266 468 T C 2.027 176.139 174.700 -0.980 0.000 1.048 468 T CA 1.389 63.128 62.100 -0.603 0.000 1.139 468 T CB -0.217 68.396 68.868 -0.425 0.000 0.874 468 T HN 0.632 nan 8.240 nan 0.000 0.455 469 Q N 0.329 119.331 119.800 -1.331 0.000 2.124 469 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 469 Q C 2.277 177.900 176.000 -0.627 0.000 0.977 469 Q CA 1.002 56.064 55.803 -1.236 0.000 0.850 469 Q CB -0.238 27.778 28.738 -1.202 0.000 0.901 469 Q HN 0.397 nan 8.270 nan 0.000 0.429 470 L N 0.628 121.514 121.223 -0.562 0.000 2.046 470 L HA -0.089 4.253 4.340 0.002 0.000 0.208 470 L C 2.194 178.828 176.870 -0.393 0.000 1.077 470 L CA 2.160 56.745 54.840 -0.425 0.000 0.747 470 L CB -0.872 40.884 42.059 -0.505 0.000 0.896 470 L HN 0.222 nan 8.230 nan 0.000 0.432 471 A N -0.146 122.376 122.820 -0.497 0.000 1.908 471 A HA -0.278 4.043 4.320 0.002 0.000 0.218 471 A C 2.559 179.987 177.584 -0.261 0.000 1.181 471 A CA 1.958 53.654 52.037 -0.569 0.000 0.627 471 A CB -0.706 17.960 19.000 -0.556 0.000 0.818 471 A HN 0.563 nan 8.150 nan 0.000 0.445 472 R N -0.171 120.227 120.500 -0.171 0.000 2.073 472 R HA -0.170 4.171 4.340 0.002 0.000 0.234 472 R C 2.235 178.490 176.300 -0.074 0.000 1.134 472 R CA 1.657 57.743 56.100 -0.024 0.000 0.952 472 R CB -0.475 29.822 30.300 -0.005 0.000 0.850 472 R HN 0.638 nan 8.270 nan 0.000 0.433 473 N N 0.784 119.397 118.700 -0.145 0.000 2.061 473 N HA -0.221 4.520 4.740 0.002 0.000 0.193 473 N C 1.758 177.244 175.510 -0.041 0.000 1.030 473 N CA 1.656 54.641 53.050 -0.108 0.000 0.856 473 N CB -0.125 38.295 38.487 -0.112 0.000 1.023 473 N HN 0.286 nan 8.380 nan 0.000 0.424 474 I N 0.936 121.501 120.570 -0.008 0.000 2.928 474 I HA -0.036 4.136 4.170 0.002 0.000 0.266 474 I C 2.002 178.198 176.117 0.132 0.000 1.234 474 I CA 0.622 61.968 61.300 0.077 0.000 1.483 474 I CB -0.158 37.942 38.000 0.167 0.000 1.097 474 I HN 0.010 nan 8.210 nan 0.000 0.455 475 S N 0.466 116.262 115.700 0.159 0.000 2.447 475 S HA -0.069 4.402 4.470 0.002 0.000 0.233 475 S C 1.281 175.927 174.600 0.077 0.000 1.006 475 S CA 0.963 59.324 58.200 0.269 0.000 0.957 475 S CB -0.331 63.099 63.200 0.383 0.000 0.773 475 S HN 0.477 nan 8.310 nan 0.000 0.507 476 N N 1.080 119.706 118.700 -0.124 0.000 2.599 476 N HA 0.293 5.034 4.740 0.002 0.000 0.309 476 N C -1.527 173.917 175.510 -0.109 0.000 1.743 476 N CA -0.035 52.829 53.050 -0.310 0.000 0.918 476 N CB 0.595 38.637 38.487 -0.741 0.000 1.339 476 N HN -0.070 nan 8.380 nan 0.000 0.493 477 S N -1.294 114.396 115.700 -0.016 0.000 2.548 477 S HA 0.772 5.243 4.470 0.002 0.000 0.286 477 S C 0.553 175.168 174.600 0.025 0.000 1.098 477 S CA -0.155 58.048 58.200 0.004 0.000 0.930 477 S CB 1.530 64.739 63.200 0.015 0.000 1.070 477 S HN 0.586 nan 8.310 nan 0.000 0.480 478 G N 2.442 111.251 108.800 0.015 0.000 2.652 478 G HA2 -0.263 3.698 3.960 0.002 0.000 0.318 478 G HA3 -0.263 3.698 3.960 0.002 0.000 0.318 478 G C 1.192 176.110 174.900 0.031 0.000 1.295 478 G CA 0.632 45.742 45.100 0.017 0.000 0.999 478 G HN 1.441 nan 8.290 nan 0.000 0.548 479 A N -1.455 121.391 122.820 0.043 0.000 2.070 479 A HA 0.080 4.402 4.320 0.002 0.000 0.220 479 A C 2.519 180.186 177.584 0.138 0.000 1.159 479 A CA 2.652 54.732 52.037 0.071 0.000 0.656 479 A CB -0.352 18.700 19.000 0.086 0.000 0.800 479 A HN 0.600 nan 8.150 nan 0.000 0.453 480 M N -0.566 119.129 119.600 0.158 0.000 2.296 480 M HA -0.159 4.322 4.480 0.002 0.000 0.265 480 M C 2.049 178.478 176.300 0.214 0.000 1.064 480 M CA 1.163 56.610 55.300 0.245 0.000 1.109 480 M CB -1.257 31.467 32.600 0.206 0.000 1.396 480 M HN 0.564 nan 8.290 nan 0.000 0.430 481 Q N -0.522 119.342 119.800 0.107 0.000 2.181 481 Q HA -0.143 4.198 4.340 0.002 0.000 0.205 481 Q C 1.850 177.889 176.000 0.064 0.000 0.980 481 Q CA 1.848 57.703 55.803 0.087 0.000 0.862 481 Q CB -0.459 28.298 28.738 0.031 0.000 0.905 481 Q HN 0.515 nan 8.270 nan 0.000 0.429 482 T N -0.119 114.392 114.554 -0.073 0.000 2.833 482 T HA -0.141 4.210 4.350 0.002 0.000 0.269 482 T C 0.943 175.429 174.700 -0.357 0.000 1.054 482 T CA 1.213 63.141 62.100 -0.288 0.000 1.135 482 T CB -0.158 68.383 68.868 -0.545 0.000 0.869 482 T HN 0.355 nan 8.240 nan 0.000 0.466 483 Y N -0.651 119.720 120.300 0.118 0.000 2.497 483 Y HA 0.390 4.941 4.550 0.002 0.000 0.265 483 Y C 0.622 176.610 175.900 0.146 0.000 1.111 483 Y CA -1.734 56.430 58.100 0.107 0.000 1.288 483 Y CB -0.167 38.348 38.460 0.091 0.000 1.082 483 Y HN 0.134 nan 8.280 nan 0.000 0.536 484 F N 1.496 121.536 119.950 0.150 0.000 2.571 484 F HA 0.357 4.886 4.527 0.002 0.000 0.384 484 F C 0.711 176.554 175.800 0.071 0.000 1.058 484 F CA -0.657 57.415 58.000 0.119 0.000 1.200 484 F CB 0.699 39.767 39.000 0.113 0.000 1.077 484 F HN -0.037 nan 8.300 nan 0.000 0.558 485 A N 4.995 127.545 122.820 -0.450 0.000 2.631 485 A HA 0.614 4.935 4.320 0.002 0.000 0.294 485 A C 0.451 177.693 177.584 -0.571 0.000 1.156 485 A CA 0.172 51.979 52.037 -0.383 0.000 0.963 485 A CB -0.812 18.092 19.000 -0.160 0.000 1.202 485 A HN 1.718 nan 8.150 nan 0.000 0.523 486 G N -0.159 107.904 108.800 -1.228 0.000 2.906 486 G HA2 0.028 3.990 3.960 0.002 0.000 0.686 486 G HA3 0.028 3.990 3.960 0.002 0.000 0.686 486 G C -0.607 174.012 174.900 -0.468 0.000 1.170 486 G CA -0.248 44.379 45.100 -0.789 0.000 0.775 486 G HN 0.652 nan 8.290 nan 0.000 0.630 487 E N 0.418 120.557 120.200 -0.102 0.000 2.338 487 E HA 0.542 4.894 4.350 0.002 0.000 0.272 487 E C 1.596 178.245 176.600 0.082 0.000 1.029 487 E CA 0.205 56.699 56.400 0.157 0.000 0.872 487 E CB 0.597 30.530 29.700 0.389 0.000 1.015 487 E HN 0.769 nan 8.360 nan 0.000 0.417 488 T N 1.778 116.392 114.554 0.100 0.000 3.018 488 T HA 0.262 4.613 4.350 0.002 0.000 0.246 488 T C 0.756 175.522 174.700 0.109 0.000 1.026 488 T CA -0.085 62.063 62.100 0.079 0.000 1.081 488 T CB 0.195 69.100 68.868 0.061 0.000 0.970 488 T HN 0.361 nan 8.240 nan 0.000 0.475 489 I N 1.777 122.437 120.570 0.151 0.000 2.534 489 I HA 0.357 4.529 4.170 0.002 0.000 0.288 489 I C -2.306 173.926 176.117 0.192 0.000 1.077 489 I CA -2.836 58.562 61.300 0.162 0.000 1.051 489 I CB 2.975 41.088 38.000 0.188 0.000 1.234 489 I HN -0.217 nan 8.210 nan 0.000 0.425 490 P HA -0.057 nan 4.420 nan 0.000 0.222 490 P C 1.056 178.368 177.300 0.020 0.000 1.147 490 P CA 1.280 64.387 63.100 0.012 0.000 0.790 490 P CB 0.285 31.767 31.700 -0.365 0.000 0.780 491 G N 0.638 109.473 108.800 0.058 0.000 2.596 491 G HA2 -0.342 3.620 3.960 0.002 0.000 0.304 491 G HA3 -0.342 3.620 3.960 0.002 0.000 0.304 491 G C 0.766 175.680 174.900 0.023 0.000 1.189 491 G CA 0.740 45.879 45.100 0.064 0.000 0.986 491 G HN 0.171 nan 8.290 nan 0.000 0.548 492 D N 1.268 121.681 120.400 0.021 0.000 2.310 492 D HA -0.023 4.618 4.640 0.002 0.000 0.212 492 D C 2.154 178.447 176.300 -0.011 0.000 0.965 492 D CA 1.069 55.074 54.000 0.008 0.000 0.879 492 D CB -0.443 40.368 40.800 0.017 0.000 0.921 492 D HN 0.587 nan 8.370 nan 0.000 0.510 493 N N -0.394 118.297 118.700 -0.014 0.000 2.512 493 N HA 0.000 4.741 4.740 0.002 0.000 0.183 493 N C 0.002 175.434 175.510 -0.130 0.000 1.073 493 N CA 0.070 53.116 53.050 -0.007 0.000 0.911 493 N CB 0.499 39.029 38.487 0.072 0.000 0.964 493 N HN 0.020 nan 8.380 nan 0.000 0.447 494 L N 0.035 121.096 121.223 -0.270 0.000 2.580 494 L HA 0.437 4.778 4.340 0.002 0.000 0.266 494 L C -1.010 175.685 176.870 -0.291 0.000 0.955 494 L CA -0.620 53.953 54.840 -0.445 0.000 0.886 494 L CB 1.113 42.534 42.059 -1.063 0.000 1.263 494 L HN -0.130 nan 8.230 nan 0.000 0.406 495 A N 3.261 125.968 122.820 -0.188 0.000 2.613 495 A HA -0.037 4.284 4.320 0.002 0.000 0.230 495 A C 0.473 178.036 177.584 -0.035 0.000 1.051 495 A CA 0.844 52.839 52.037 -0.070 0.000 0.754 495 A CB -0.206 18.764 19.000 -0.050 0.000 0.979 495 A HN 0.905 nan 8.150 nan 0.000 0.510 496 Y N 0.984 121.256 120.300 -0.047 0.000 2.421 496 Y HA -0.106 4.445 4.550 0.002 0.000 0.292 496 Y C 1.463 177.382 175.900 0.032 0.000 1.136 496 Y CA 2.155 60.260 58.100 0.009 0.000 1.255 496 Y CB 0.203 38.694 38.460 0.050 0.000 0.991 496 Y HN 0.782 nan 8.280 nan 0.000 0.552 497 D N -0.310 120.124 120.400 0.056 0.000 2.388 497 D HA 0.198 4.839 4.640 0.002 0.000 0.221 497 D C 0.547 176.849 176.300 0.002 0.000 1.133 497 D CA 0.200 54.209 54.000 0.015 0.000 0.831 497 D CB -0.776 40.065 40.800 0.068 0.000 0.962 497 D HN 0.216 nan 8.370 nan 0.000 0.502 498 A N 1.408 124.202 122.820 -0.044 0.000 2.587 498 A HA 0.261 4.583 4.320 0.002 0.000 0.235 498 A C 0.591 178.227 177.584 0.087 0.000 1.044 498 A CA 0.084 52.081 52.037 -0.067 0.000 0.754 498 A CB 0.117 18.907 19.000 -0.349 0.000 0.968 498 A HN 0.436 nan 8.150 nan 0.000 0.509 499 D N 1.262 121.716 120.400 0.091 0.000 2.478 499 D HA 0.176 4.818 4.640 0.002 0.000 0.269 499 D C 0.987 177.411 176.300 0.206 0.000 1.232 499 D CA -0.645 53.443 54.000 0.147 0.000 1.059 499 D CB 0.127 40.999 40.800 0.121 0.000 1.104 499 D HN 0.250 nan 8.370 nan 0.000 0.566 500 L N 0.444 121.731 121.223 0.105 0.000 2.083 500 L HA -0.140 4.202 4.340 0.002 0.000 0.209 500 L C 2.268 179.177 176.870 0.065 0.000 1.083 500 L CA 2.410 57.246 54.840 -0.007 0.000 0.752 500 L CB -1.054 40.769 42.059 -0.394 0.000 0.899 500 L HN 0.597 nan 8.230 nan 0.000 0.433 501 S N -0.810 114.931 115.700 0.069 0.000 2.402 501 S HA -0.087 4.385 4.470 0.002 0.000 0.229 501 S C 2.136 176.779 174.600 0.071 0.000 1.021 501 S CA 0.717 58.957 58.200 0.066 0.000 0.974 501 S CB -0.954 62.286 63.200 0.067 0.000 0.800 501 S HN 0.473 nan 8.310 nan 0.000 0.484 502 A N 1.069 123.924 122.820 0.059 0.000 1.902 502 A HA -0.028 4.293 4.320 0.002 0.000 0.217 502 A C 1.901 179.479 177.584 -0.010 0.000 1.181 502 A CA 1.308 53.342 52.037 -0.006 0.000 0.623 502 A CB -1.395 17.558 19.000 -0.079 0.000 0.818 502 A HN 0.708 nan 8.150 nan 0.000 0.443 503 W N 0.669 121.948 121.300 -0.035 0.000 2.338 503 W HA -0.191 4.470 4.660 0.002 0.000 0.304 503 W C 2.955 179.485 176.519 0.018 0.000 1.212 503 W CA 2.469 59.800 57.345 -0.023 0.000 1.264 503 W CB -0.498 28.904 29.460 -0.096 0.000 1.142 503 W HN 0.528 nan 8.180 nan 0.000 0.512 504 T N -2.448 112.221 114.554 0.192 0.000 2.833 504 T HA -0.193 4.158 4.350 0.002 0.000 0.269 504 T C 1.406 176.133 174.700 0.045 0.000 1.054 504 T CA 1.628 63.761 62.100 0.055 0.000 1.135 504 T CB -0.375 68.495 68.868 0.003 0.000 0.869 504 T HN 0.227 nan 8.240 nan 0.000 0.466 505 E N -0.429 119.830 120.200 0.098 0.000 2.208 505 E HA 0.008 4.359 4.350 0.002 0.000 0.193 505 E C 1.699 178.434 176.600 0.226 0.000 0.988 505 E CA 0.753 57.231 56.400 0.129 0.000 0.828 505 E CB -0.178 29.583 29.700 0.101 0.000 0.763 505 E HN 0.750 nan 8.360 nan 0.000 0.478 506 Y N 0.771 121.118 120.300 0.079 0.000 2.269 506 Y HA -0.091 4.460 4.550 0.002 0.000 0.294 506 Y C 1.883 177.952 175.900 0.280 0.000 1.120 506 Y CA 0.794 58.980 58.100 0.144 0.000 1.159 506 Y CB 0.083 38.466 38.460 -0.129 0.000 1.024 506 Y HN -0.070 nan 8.280 nan 0.000 0.532 507 I N 1.567 122.277 120.570 0.233 0.000 2.194 507 I HA -0.221 3.950 4.170 0.002 0.000 0.246 507 I C -0.560 175.519 176.117 -0.062 0.000 1.093 507 I CA 1.547 62.897 61.300 0.084 0.000 1.355 507 I CB -2.441 35.549 38.000 -0.016 0.000 1.046 507 I HN 0.230 nan 8.210 nan 0.000 0.413 508 P HA -0.162 nan 4.420 nan 0.000 0.219 508 P C 1.257 178.409 177.300 -0.246 0.000 1.146 508 P CA 1.548 64.490 63.100 -0.264 0.000 0.808 508 P CB -0.165 31.252 31.700 -0.471 0.000 0.779 509 Y N -2.690 117.613 120.300 0.005 0.000 2.482 509 Y HA 0.097 4.649 4.550 0.002 0.000 0.270 509 Y C 0.642 176.196 175.900 -0.576 0.000 1.152 509 Y CA 0.511 58.459 58.100 -0.253 0.000 1.292 509 Y CB -0.474 37.778 38.460 -0.347 0.000 1.070 509 Y HN 0.136 nan 8.280 nan 0.000 0.528 510 H N -0.814 118.225 119.070 -0.052 0.000 2.716 510 H HA 0.280 4.837 4.556 0.002 0.000 0.230 510 H C -0.984 174.416 175.328 0.120 0.000 1.401 510 H CA -0.886 55.110 56.048 -0.087 0.000 1.168 510 H CB -0.171 29.357 29.762 -0.390 0.000 1.935 510 H HN 0.080 nan 8.280 nan 0.000 0.538 511 F N -0.475 119.498 119.950 0.038 0.000 2.650 511 F HA 0.809 5.337 4.527 0.002 0.000 0.320 511 F C -1.103 174.661 175.800 -0.060 0.000 1.091 511 F CA -1.552 56.475 58.000 0.045 0.000 0.962 511 F CB 1.665 40.743 39.000 0.130 0.000 1.363 511 F HN 0.049 nan 8.300 nan 0.000 0.482 512 R N 0.311 120.682 120.500 -0.214 0.000 2.808 512 R HA 0.739 5.080 4.340 0.002 0.000 0.272 512 R C -3.342 172.724 176.300 -0.390 0.000 0.995 512 R CA -2.195 53.646 56.100 -0.431 0.000 0.917 512 R CB 1.382 31.550 30.300 -0.219 0.000 1.217 512 R HN 0.335 nan 8.270 nan 0.000 0.471 513 P HA 0.013 nan 4.420 nan 0.000 0.268 513 P C -0.533 176.202 177.300 -0.942 0.000 1.208 513 P CA -0.084 62.671 63.100 -0.575 0.000 0.777 513 P CB 0.522 32.074 31.700 -0.247 0.000 0.875 514 N N 0.687 118.953 118.700 -0.723 0.000 2.280 514 N HA -0.025 4.716 4.740 0.002 0.000 0.192 514 N C -0.451 174.586 175.510 -0.789 0.000 1.109 514 N CA -0.007 52.498 53.050 -0.909 0.000 0.855 514 N CB -0.506 37.472 38.487 -0.849 0.000 0.974 514 N HN 0.270 nan 8.380 nan 0.000 0.482 515 Y N -1.379 118.856 120.300 -0.110 0.000 3.929 515 Y HA -0.282 4.270 4.550 0.002 0.000 0.225 515 Y C -0.079 175.881 175.900 0.101 0.000 1.200 515 Y CA 0.502 58.593 58.100 -0.016 0.000 1.791 515 Y CB -3.095 35.326 38.460 -0.065 0.000 1.561 515 Y HN 0.444 nan 8.280 nan 0.000 0.657 516 H N -0.956 118.139 119.070 0.040 0.000 2.528 516 H HA 0.432 4.989 4.556 0.002 0.000 0.256 516 H C 1.281 176.661 175.328 0.088 0.000 1.204 516 H CA -0.136 55.933 56.048 0.035 0.000 0.955 516 H CB 0.356 30.078 29.762 -0.067 0.000 1.817 516 H HN 0.439 nan 8.280 nan 0.000 0.579 517 G N 1.575 110.515 108.800 0.233 0.000 2.365 517 G HA2 0.325 4.286 3.960 0.002 0.000 0.249 517 G HA3 0.325 4.286 3.960 0.002 0.000 0.249 517 G C 0.193 175.168 174.900 0.125 0.000 1.288 517 G CA -0.033 45.166 45.100 0.165 0.000 0.887 517 G HN 0.221 nan 8.290 nan 0.000 0.524 518 V N 0.143 120.096 119.914 0.066 0.000 3.141 518 V HA 0.962 5.084 4.120 0.002 0.000 0.312 518 V C 0.932 176.991 176.094 -0.058 0.000 1.157 518 V CA -0.122 62.194 62.300 0.027 0.000 1.041 518 V CB 1.313 33.178 31.823 0.070 0.000 1.071 518 V HN 2.110 nan 8.190 nan 0.000 0.441 519 G N 0.918 109.647 108.800 -0.119 0.000 2.194 519 G HA2 -0.252 3.709 3.960 0.002 0.000 0.236 519 G HA3 -0.252 3.709 3.960 0.002 0.000 0.236 519 G C 0.805 175.624 174.900 -0.134 0.000 0.987 519 G CA 1.049 46.058 45.100 -0.151 0.000 0.635 519 G HN 1.985 nan 8.290 nan 0.000 0.520 520 T N -3.014 111.461 114.554 -0.132 0.000 3.072 520 T HA 0.221 4.572 4.350 0.002 0.000 0.266 520 T C 1.118 175.740 174.700 -0.130 0.000 1.127 520 T CA 1.224 63.244 62.100 -0.132 0.000 1.107 520 T CB 0.099 68.878 68.868 -0.148 0.000 0.910 520 T HN 0.739 nan 8.240 nan 0.000 0.513 521 C N 2.739 121.951 119.300 -0.146 0.000 3.401 521 C HA 0.543 5.005 4.460 0.002 0.000 0.204 521 C C 0.598 175.482 174.990 -0.177 0.000 1.522 521 C CA -1.202 57.728 59.018 -0.146 0.000 1.409 521 C CB -1.281 26.366 27.740 -0.154 0.000 1.967 521 C HN 0.412 nan 8.230 nan 0.000 0.496 522 S N 1.942 117.547 115.700 -0.159 0.000 2.575 522 S HA 0.043 4.514 4.470 0.002 0.000 0.295 522 S C 0.239 174.702 174.600 -0.229 0.000 1.267 522 S CA 0.384 58.454 58.200 -0.216 0.000 1.074 522 S CB 0.192 63.302 63.200 -0.150 0.000 0.829 522 S HN 0.766 nan 8.310 nan 0.000 0.497 523 M N 7.468 126.846 119.600 -0.371 0.000 2.557 523 M HA 0.328 4.809 4.480 0.002 0.000 0.328 523 M C -0.586 175.538 176.300 -0.293 0.000 1.423 523 M CA 0.166 55.245 55.300 -0.370 0.000 1.418 523 M CB -0.707 31.551 32.600 -0.570 0.000 1.381 523 M HN 0.741 nan 8.290 nan 0.000 0.467 524 M N 3.579 123.134 119.600 -0.074 0.000 2.732 524 M HA 0.670 5.152 4.480 0.002 0.000 0.272 524 M C -3.060 173.348 176.300 0.181 0.000 1.203 524 M CA -1.841 53.495 55.300 0.060 0.000 0.841 524 M CB 1.070 33.731 32.600 0.103 0.000 1.685 524 M HN 0.101 nan 8.290 nan 0.000 0.492 525 P HA 0.047 nan 4.420 nan 0.000 0.266 525 P C -0.038 177.246 177.300 -0.028 0.000 1.186 525 P CA 0.189 63.348 63.100 0.098 0.000 0.767 525 P CB 0.550 32.284 31.700 0.057 0.000 0.820 526 K N 2.577 122.758 120.400 -0.365 0.000 2.103 526 K HA -0.214 4.108 4.320 0.002 0.000 0.207 526 K C 1.698 178.194 176.600 -0.174 0.000 1.048 526 K CA 1.529 57.529 56.287 -0.478 0.000 0.930 526 K CB -0.042 31.973 32.500 -0.809 0.000 0.716 526 K HN 0.550 nan 8.250 nan 0.000 0.444 527 E N 0.176 120.305 120.200 -0.118 0.000 2.347 527 E HA -0.190 4.161 4.350 0.002 0.000 0.196 527 E C 1.372 177.971 176.600 -0.002 0.000 1.008 527 E CA 0.976 57.343 56.400 -0.054 0.000 0.852 527 E CB -0.180 29.489 29.700 -0.051 0.000 0.783 527 E HN 0.419 nan 8.360 nan 0.000 0.505 528 M N 0.168 119.793 119.600 0.042 0.000 2.563 528 M HA 0.171 4.653 4.480 0.002 0.000 0.231 528 M C 0.709 177.146 176.300 0.228 0.000 1.136 528 M CA 0.728 56.096 55.300 0.112 0.000 1.026 528 M CB 0.585 33.270 32.600 0.142 0.000 1.597 528 M HN 0.360 nan 8.290 nan 0.000 0.495 529 G N 0.349 109.263 108.800 0.189 0.000 2.131 529 G HA2 -0.167 3.795 3.960 0.002 0.000 0.223 529 G HA3 -0.167 3.795 3.960 0.002 0.000 0.223 529 G C 0.267 175.268 174.900 0.168 0.000 0.990 529 G CA -0.300 44.964 45.100 0.273 0.000 0.671 529 G HN 0.614 nan 8.290 nan 0.000 0.521 530 G N -1.271 107.613 108.800 0.140 0.000 2.594 530 G HA2 0.542 4.504 3.960 0.002 0.000 0.243 530 G HA3 0.542 4.504 3.960 0.002 0.000 0.243 530 G C 0.959 175.986 174.900 0.211 0.000 1.229 530 G CA 0.423 45.623 45.100 0.167 0.000 0.843 530 G HN 0.803 nan 8.290 nan 0.000 0.578 531 V N 0.527 120.527 119.914 0.142 0.000 3.307 531 V HA 0.142 4.264 4.120 0.002 0.000 0.244 531 V C 0.789 176.820 176.094 -0.106 0.000 1.196 531 V CA 1.058 63.402 62.300 0.073 0.000 1.132 531 V CB 0.268 32.061 31.823 -0.051 0.000 0.875 531 V HN 0.732 nan 8.190 nan 0.000 0.468 532 V N -1.200 118.553 119.914 -0.269 0.000 2.962 532 V HA 0.741 4.862 4.120 0.002 0.000 0.313 532 V C -0.790 174.941 176.094 -0.605 0.000 1.099 532 V CA -0.917 61.053 62.300 -0.550 0.000 0.971 532 V CB 2.031 33.651 31.823 -0.339 0.000 1.028 532 V HN 0.346 nan 8.190 nan 0.000 0.430 533 D N 1.949 121.952 120.400 -0.663 0.000 2.469 533 D HA 0.147 4.788 4.640 0.002 0.000 0.278 533 D C 0.965 177.204 176.300 -0.102 0.000 1.231 533 D CA -0.006 53.837 54.000 -0.261 0.000 1.075 533 D CB 0.075 40.784 40.800 -0.152 0.000 1.121 533 D HN 0.678 nan 8.370 nan 0.000 0.571 534 N N -0.982 117.747 118.700 0.049 0.000 2.521 534 N HA -0.035 4.707 4.740 0.002 0.000 0.188 534 N C 0.396 176.078 175.510 0.286 0.000 1.146 534 N CA 0.417 53.565 53.050 0.164 0.000 0.893 534 N CB -0.164 38.506 38.487 0.306 0.000 0.975 534 N HN 0.449 nan 8.380 nan 0.000 0.451 535 A N -0.633 122.267 122.820 0.133 0.000 2.564 535 A HA 0.698 5.019 4.320 0.002 0.000 0.279 535 A C 1.096 178.702 177.584 0.036 0.000 1.232 535 A CA 0.146 52.262 52.037 0.132 0.000 0.950 535 A CB -0.152 18.901 19.000 0.088 0.000 1.138 535 A HN 0.691 nan 8.150 nan 0.000 0.526 536 A N -0.274 122.517 122.820 -0.049 0.000 2.887 536 A HA -0.199 4.122 4.320 0.002 0.000 0.257 536 A C 0.457 177.956 177.584 -0.141 0.000 1.372 536 A CA 1.277 53.236 52.037 -0.129 0.000 0.879 536 A CB -2.090 16.855 19.000 -0.091 0.000 1.082 536 A HN 0.623 nan 8.150 nan 0.000 0.703 537 R N -0.386 120.019 120.500 -0.158 0.000 2.308 537 R HA 0.459 4.801 4.340 0.002 0.000 0.305 537 R C 0.099 176.229 176.300 -0.282 0.000 1.053 537 R CA -0.441 55.566 56.100 -0.155 0.000 0.957 537 R CB 1.280 31.523 30.300 -0.094 0.000 1.022 537 R HN 0.210 nan 8.270 nan 0.000 0.461 538 V N 4.805 124.603 119.914 -0.194 0.000 2.521 538 V HA -0.038 4.084 4.120 0.002 0.000 0.286 538 V C -0.087 175.908 176.094 -0.166 0.000 1.034 538 V CA -0.010 62.167 62.300 -0.204 0.000 1.045 538 V CB -0.191 31.576 31.823 -0.094 0.000 0.974 538 V HN 0.501 nan 8.190 nan 0.000 0.480 539 Y N 3.312 123.596 120.300 -0.027 0.000 2.717 539 Y HA 0.361 4.912 4.550 0.002 0.000 0.330 539 Y C 1.544 177.433 175.900 -0.018 0.000 1.217 539 Y CA 1.201 59.290 58.100 -0.019 0.000 1.506 539 Y CB -0.021 38.423 38.460 -0.026 0.000 1.268 539 Y HN 0.946 nan 8.280 nan 0.000 0.561 540 G N 1.330 110.224 108.800 0.156 0.000 2.176 540 G HA2 -0.206 3.755 3.960 0.002 0.000 0.253 540 G HA3 -0.206 3.755 3.960 0.002 0.000 0.253 540 G C -0.588 174.341 174.900 0.049 0.000 0.979 540 G CA 0.032 45.183 45.100 0.085 0.000 0.641 540 G HN 0.610 nan 8.290 nan 0.000 0.530 541 V N 0.746 120.684 119.914 0.039 0.000 2.735 541 V HA 0.579 4.701 4.120 0.002 0.000 0.310 541 V C 0.066 176.175 176.094 0.024 0.000 1.061 541 V CA -0.970 61.344 62.300 0.024 0.000 0.913 541 V CB 1.880 33.711 31.823 0.013 0.000 1.005 541 V HN 0.373 nan 8.190 nan 0.000 0.428 542 Q N 1.625 121.441 119.800 0.026 0.000 2.230 542 Q HA 0.565 4.906 4.340 0.002 0.000 0.253 542 Q C 0.991 177.012 176.000 0.035 0.000 0.919 542 Q CA 0.052 55.874 55.803 0.031 0.000 0.908 542 Q CB 1.577 30.333 28.738 0.029 0.000 1.245 542 Q HN 1.240 nan 8.270 nan 0.000 0.437 543 G N 1.632 110.462 108.800 0.049 0.000 2.176 543 G HA2 -0.243 3.718 3.960 0.002 0.000 0.252 543 G HA3 -0.243 3.718 3.960 0.002 0.000 0.252 543 G C -0.737 174.202 174.900 0.065 0.000 1.024 543 G CA 0.221 45.362 45.100 0.067 0.000 0.755 543 G HN 0.390 nan 8.290 nan 0.000 0.507 544 L N -0.082 121.167 121.223 0.044 0.000 2.406 544 L HA 0.840 5.181 4.340 0.002 0.000 0.272 544 L C -0.096 176.775 176.870 0.002 0.000 0.980 544 L CA -1.121 53.736 54.840 0.028 0.000 0.831 544 L CB 1.262 43.329 42.059 0.013 0.000 1.253 544 L HN 0.240 nan 8.230 nan 0.000 0.406 545 R N 3.420 123.921 120.500 0.002 0.000 2.854 545 R HA 0.850 5.192 4.340 0.002 0.000 0.271 545 R C -1.515 174.752 176.300 -0.056 0.000 0.994 545 R CA -1.129 54.949 56.100 -0.037 0.000 0.945 545 R CB 2.491 32.778 30.300 -0.022 0.000 1.194 545 R HN 0.389 nan 8.270 nan 0.000 0.476 546 V N 3.096 122.953 119.914 -0.096 0.000 2.407 546 V HA 0.277 4.399 4.120 0.002 0.000 0.291 546 V C 0.639 176.648 176.094 -0.142 0.000 1.018 546 V CA -0.456 61.776 62.300 -0.113 0.000 0.842 546 V CB 1.360 33.102 31.823 -0.134 0.000 0.996 546 V HN 0.790 nan 8.190 nan 0.000 0.426 547 I N 0.037 120.527 120.570 -0.134 0.000 4.009 547 I HA 0.438 4.610 4.170 0.002 0.000 0.331 547 I C 0.334 176.326 176.117 -0.207 0.000 1.462 547 I CA -0.284 60.925 61.300 -0.153 0.000 1.117 547 I CB 0.353 38.287 38.000 -0.110 0.000 1.091 547 I HN 0.596 nan 8.210 nan 0.000 0.410 548 D N 0.728 120.990 120.400 -0.230 0.000 2.570 548 D HA 0.303 4.944 4.640 0.002 0.000 0.266 548 D C 1.600 177.629 176.300 -0.451 0.000 1.182 548 D CA -0.076 53.753 54.000 -0.284 0.000 1.088 548 D CB -0.211 40.493 40.800 -0.160 0.000 1.186 548 D HN -0.093 nan 8.370 nan 0.000 0.618 549 G N -1.088 107.444 108.800 -0.445 0.000 2.586 549 G HA2 -0.176 3.785 3.960 0.002 0.000 0.215 549 G HA3 -0.176 3.785 3.960 0.002 0.000 0.215 549 G C 1.115 175.874 174.900 -0.235 0.000 1.128 549 G CA 0.825 45.664 45.100 -0.435 0.000 0.774 549 G HN 0.354 nan 8.290 nan 0.000 0.543 550 S N 0.362 115.933 115.700 -0.215 0.000 2.423 550 S HA -0.081 4.391 4.470 0.002 0.000 0.231 550 S C 2.203 176.657 174.600 -0.244 0.000 1.014 550 S CA 1.035 59.124 58.200 -0.185 0.000 0.965 550 S CB -0.144 62.955 63.200 -0.168 0.000 0.785 550 S HN 0.732 nan 8.310 nan 0.000 0.495 551 I N -0.427 119.947 120.570 -0.327 0.000 2.852 551 I HA 0.189 4.360 4.170 0.002 0.000 0.264 551 I C -2.349 173.455 176.117 -0.521 0.000 1.179 551 I CA -0.694 60.368 61.300 -0.396 0.000 1.480 551 I CB -1.383 36.370 38.000 -0.411 0.000 1.111 551 I HN -0.055 nan 8.210 nan 0.000 0.441 552 P HA 0.054 nan 4.420 nan 0.000 0.261 552 P C -1.999 174.962 177.300 -0.566 0.000 1.183 552 P CA -0.745 61.959 63.100 -0.659 0.000 0.761 552 P CB -0.001 31.577 31.700 -0.203 0.000 0.785 553 P HA -0.038 nan 4.420 nan 0.000 0.231 553 P C 0.184 177.178 177.300 -0.510 0.000 1.168 553 P CA 1.070 63.730 63.100 -0.732 0.000 0.779 553 P CB 0.323 31.328 31.700 -1.159 0.000 0.844 554 T N -4.517 109.896 114.554 -0.235 0.000 2.865 554 T HA 0.428 4.780 4.350 0.002 0.000 0.294 554 T C -0.076 174.815 174.700 0.318 0.000 1.119 554 T CA -0.807 61.383 62.100 0.150 0.000 1.007 554 T CB 1.811 71.015 68.868 0.561 0.000 1.225 554 T HN -0.262 nan 8.240 nan 0.000 0.515 555 Q N 0.047 120.089 119.800 0.404 0.000 2.308 555 Q HA 0.613 4.954 4.340 0.002 0.000 0.207 555 Q C -0.536 175.692 176.000 0.380 0.000 1.035 555 Q CA -0.307 55.690 55.803 0.324 0.000 1.008 555 Q CB 1.129 30.015 28.738 0.248 0.000 1.168 555 Q HN 0.751 nan 8.270 nan 0.000 0.565 556 M N -0.803 118.934 119.600 0.229 0.000 2.618 556 M HA 0.241 4.723 4.480 0.002 0.000 0.281 556 M C -0.532 175.808 176.300 0.068 0.000 1.267 556 M CA -0.399 54.969 55.300 0.114 0.000 0.845 556 M CB 2.311 34.958 32.600 0.079 0.000 1.732 556 M HN 0.219 nan 8.290 nan 0.000 0.461 557 S N 1.572 117.260 115.700 -0.021 0.000 3.965 557 S HA 0.502 4.974 4.470 0.002 0.000 0.195 557 S C -0.685 173.938 174.600 0.039 0.000 1.449 557 S CA -0.382 57.849 58.200 0.050 0.000 0.965 557 S CB -0.678 62.520 63.200 -0.004 0.000 1.459 557 S HN 0.703 nan 8.310 nan 0.000 0.476 558 S N 0.311 116.093 115.700 0.137 0.000 2.663 558 S HA 0.323 4.795 4.470 0.002 0.000 0.264 558 S C -1.406 173.264 174.600 0.116 0.000 1.112 558 S CA -1.055 57.231 58.200 0.143 0.000 0.823 558 S CB 0.567 63.754 63.200 -0.021 0.000 1.111 558 S HN 0.419 nan 8.310 nan 0.000 0.476 559 H N 0.866 120.076 119.070 0.232 0.000 2.610 559 H HA 0.340 4.897 4.556 0.002 0.000 0.336 559 H C 1.370 176.662 175.328 -0.061 0.000 1.087 559 H CA 0.558 56.723 56.048 0.196 0.000 1.405 559 H CB 1.634 31.527 29.762 0.217 0.000 1.460 559 H HN 0.681 nan 8.280 nan 0.000 0.538 560 V N 0.812 120.583 119.914 -0.238 0.000 3.541 560 V HA -0.075 4.047 4.120 0.002 0.000 0.267 560 V C 2.085 177.880 176.094 -0.499 0.000 1.213 560 V CA 0.553 62.536 62.300 -0.529 0.000 1.149 560 V CB -0.432 30.690 31.823 -1.169 0.000 0.822 560 V HN 0.655 nan 8.190 nan 0.000 0.462 561 M N 2.160 121.630 119.600 -0.217 0.000 2.108 561 M HA -0.158 4.323 4.480 0.002 0.000 0.261 561 M C 2.512 178.825 176.300 0.022 0.000 1.066 561 M CA 2.574 57.848 55.300 -0.044 0.000 1.107 561 M CB -0.677 32.110 32.600 0.312 0.000 1.356 561 M HN 0.750 nan 8.290 nan 0.000 0.406 562 T N -1.907 112.492 114.554 -0.258 0.000 2.759 562 T HA -0.098 4.253 4.350 0.002 0.000 0.269 562 T C 1.620 176.288 174.700 -0.053 0.000 1.042 562 T CA 1.541 63.389 62.100 -0.421 0.000 1.140 562 T CB -0.896 67.559 68.868 -0.689 0.000 0.864 562 T HN 0.219 nan 8.240 nan 0.000 0.455 563 V N 0.282 120.200 119.914 0.007 0.000 2.407 563 V HA 0.043 4.165 4.120 0.002 0.000 0.245 563 V C 2.450 178.761 176.094 0.362 0.000 1.041 563 V CA 1.042 63.441 62.300 0.166 0.000 1.040 563 V CB -0.843 31.093 31.823 0.188 0.000 0.671 563 V HN 0.319 nan 8.190 nan 0.000 0.455 564 F N -0.597 119.368 119.950 0.025 0.000 2.186 564 F HA -0.083 4.445 4.527 0.002 0.000 0.299 564 F C 2.321 178.108 175.800 -0.022 0.000 1.090 564 F CA 0.677 58.664 58.000 -0.021 0.000 1.307 564 F CB -1.286 37.646 39.000 -0.115 0.000 1.019 564 F HN 0.179 nan 8.300 nan 0.000 0.489 565 Y N 0.077 120.551 120.300 0.289 0.000 2.200 565 Y HA -0.099 4.452 4.550 0.002 0.000 0.290 565 Y C 2.555 178.543 175.900 0.147 0.000 1.137 565 Y CA 0.945 59.176 58.100 0.219 0.000 1.163 565 Y CB -1.144 37.536 38.460 0.366 0.000 0.988 565 Y HN 0.003 nan 8.280 nan 0.000 0.518 566 A N -0.199 122.808 122.820 0.312 0.000 1.902 566 A HA -0.241 4.080 4.320 0.002 0.000 0.217 566 A C 2.383 179.994 177.584 0.044 0.000 1.181 566 A CA 1.780 53.931 52.037 0.191 0.000 0.623 566 A CB -0.873 18.223 19.000 0.160 0.000 0.818 566 A HN 0.523 nan 8.150 nan 0.000 0.443 567 M N -0.178 119.514 119.600 0.153 0.000 2.080 567 M HA -0.183 4.299 4.480 0.002 0.000 0.260 567 M C 2.232 178.563 176.300 0.051 0.000 1.068 567 M CA 2.007 57.431 55.300 0.208 0.000 1.109 567 M CB -0.253 32.478 32.600 0.218 0.000 1.342 567 M HN 0.400 nan 8.290 nan 0.000 0.405 568 A N 0.510 123.325 122.820 -0.009 0.000 1.902 568 A HA -0.110 4.212 4.320 0.002 0.000 0.217 568 A C 2.000 179.507 177.584 -0.129 0.000 1.181 568 A CA 1.551 53.539 52.037 -0.081 0.000 0.623 568 A CB -0.992 17.940 19.000 -0.114 0.000 0.818 568 A HN 0.615 nan 8.150 nan 0.000 0.443 569 L N -0.660 120.489 121.223 -0.123 0.000 2.046 569 L HA -0.199 4.142 4.340 0.002 0.000 0.208 569 L C 2.621 179.279 176.870 -0.354 0.000 1.077 569 L CA 1.983 56.751 54.840 -0.119 0.000 0.747 569 L CB -0.421 41.698 42.059 0.101 0.000 0.896 569 L HN 0.459 nan 8.230 nan 0.000 0.432 570 K N 0.824 120.726 120.400 -0.831 0.000 2.057 570 K HA -0.170 4.151 4.320 0.002 0.000 0.207 570 K C 2.074 178.443 176.600 -0.385 0.000 1.049 570 K CA 1.436 57.071 56.287 -1.087 0.000 0.931 570 K CB -0.093 31.614 32.500 -1.322 0.000 0.714 570 K HN 0.189 nan 8.250 nan 0.000 0.440 571 I N 0.731 121.202 120.570 -0.165 0.000 2.315 571 I HA -0.236 3.936 4.170 0.002 0.000 0.248 571 I C 2.130 178.200 176.117 -0.080 0.000 1.117 571 I CA 0.948 62.225 61.300 -0.038 0.000 1.404 571 I CB -0.099 37.910 38.000 0.016 0.000 1.071 571 I HN 0.135 nan 8.210 nan 0.000 0.419 572 S N 0.405 116.037 115.700 -0.114 0.000 2.368 572 S HA -0.200 4.271 4.470 0.002 0.000 0.225 572 S C 1.605 176.157 174.600 -0.080 0.000 1.030 572 S CA 1.393 59.523 58.200 -0.118 0.000 0.999 572 S CB -0.339 62.790 63.200 -0.120 0.000 0.844 572 S HN 0.432 nan 8.310 nan 0.000 0.459 573 D N 1.770 122.144 120.400 -0.044 0.000 2.123 573 D HA -0.041 4.600 4.640 0.002 0.000 0.196 573 D C 2.140 178.442 176.300 0.003 0.000 0.992 573 D CA 1.278 55.283 54.000 0.008 0.000 0.833 573 D CB -0.480 40.369 40.800 0.082 0.000 0.954 573 D HN 0.390 nan 8.370 nan 0.000 0.455 574 A N 0.571 123.386 122.820 -0.009 0.000 1.902 574 A HA -0.142 4.180 4.320 0.002 0.000 0.217 574 A C 2.386 179.985 177.584 0.026 0.000 1.181 574 A CA 0.930 52.977 52.037 0.017 0.000 0.623 574 A CB -0.693 18.323 19.000 0.027 0.000 0.818 574 A HN 0.218 nan 8.150 nan 0.000 0.443 575 I N -0.356 120.208 120.570 -0.009 0.000 2.226 575 I HA -0.256 3.915 4.170 0.002 0.000 0.245 575 I C 2.329 178.453 176.117 0.011 0.000 1.100 575 I CA 1.051 62.341 61.300 -0.017 0.000 1.374 575 I CB -0.341 37.567 38.000 -0.153 0.000 1.057 575 I HN 0.289 nan 8.210 nan 0.000 0.413 576 L N 0.278 121.488 121.223 -0.021 0.000 2.083 576 L HA -0.211 4.130 4.340 0.002 0.000 0.209 576 L C 2.519 179.462 176.870 0.121 0.000 1.083 576 L CA 1.458 56.315 54.840 0.028 0.000 0.752 576 L CB -0.584 41.470 42.059 -0.008 0.000 0.899 576 L HN 0.280 nan 8.230 nan 0.000 0.433 577 E N -0.016 120.236 120.200 0.087 0.000 2.051 577 E HA -0.222 4.129 4.350 0.002 0.000 0.192 577 E C 1.737 178.400 176.600 0.104 0.000 0.991 577 E CA 1.311 57.763 56.400 0.087 0.000 0.799 577 E CB -0.049 29.689 29.700 0.062 0.000 0.748 577 E HN 0.433 nan 8.360 nan 0.000 0.449 578 D N -0.083 120.388 120.400 0.118 0.000 2.178 578 D HA -0.160 4.481 4.640 0.002 0.000 0.201 578 D C 1.632 178.035 176.300 0.170 0.000 0.980 578 D CA 0.731 54.810 54.000 0.132 0.000 0.842 578 D CB -0.263 40.622 40.800 0.142 0.000 0.948 578 D HN 0.201 nan 8.370 nan 0.000 0.472 579 Y N 1.368 121.709 120.300 0.069 0.000 2.181 579 Y HA -0.172 4.379 4.550 0.003 0.000 0.288 579 Y C 2.136 178.061 175.900 0.040 0.000 1.146 579 Y CA 1.716 59.829 58.100 0.022 0.000 1.164 579 Y CB -0.273 38.173 38.460 -0.022 0.000 0.982 579 Y HN -0.049 nan 8.280 nan 0.000 0.515 580 A N -1.348 121.481 122.820 0.015 0.000 2.016 580 A HA -0.054 4.267 4.320 0.002 0.000 0.217 580 A C 2.331 179.881 177.584 -0.057 0.000 1.162 580 A CA 1.420 53.415 52.037 -0.069 0.000 0.662 580 A CB -0.803 18.224 19.000 0.044 0.000 0.812 580 A HN 0.437 nan 8.150 nan 0.000 0.450 581 S N -0.365 115.332 115.700 -0.005 0.000 2.428 581 S HA 0.047 4.519 4.470 0.002 0.000 0.230 581 S C 0.900 175.500 174.600 0.000 0.000 1.014 581 S CA 0.779 58.985 58.200 0.009 0.000 0.957 581 S CB -0.110 63.113 63.200 0.039 0.000 0.784 581 S HN 0.424 nan 8.310 nan 0.000 0.499 582 M N 2.344 121.942 119.600 -0.003 0.000 3.252 582 M HA 0.412 4.893 4.480 0.002 0.000 0.252 582 M C -0.196 176.091 176.300 -0.022 0.000 1.162 582 M CA -0.087 55.225 55.300 0.020 0.000 1.063 582 M CB -0.399 32.265 32.600 0.107 0.000 1.238 582 M HN 0.085 nan 8.290 nan 0.000 0.564 583 Q N 0.000 119.762 119.800 -0.063 0.000 2.315 583 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 583 Q CA 0.000 55.756 55.803 -0.078 0.000 1.022 583 Q CB 0.000 28.671 28.738 -0.112 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481