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 2xwj_1_C DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQ 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.556 174.600 -0.073 0.000 1.055 1 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 1 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 2 P HA 0.382 nan 4.420 nan 0.000 0.269 2 P C -0.860 176.246 177.300 -0.323 0.000 1.217 2 P CA -0.277 62.668 63.100 -0.258 0.000 0.783 2 P CB 0.297 31.816 31.700 -0.301 0.000 0.898 3 M N 2.350 121.676 119.600 -0.456 0.000 2.213 3 M HA 0.340 4.820 4.480 -0.000 0.000 0.286 3 M C -1.901 174.109 176.300 -0.482 0.000 1.008 3 M CA -0.660 54.450 55.300 -0.316 0.000 0.937 3 M CB 1.088 33.649 32.600 -0.066 0.000 1.600 3 M HN 0.236 nan 8.290 nan 0.000 0.450 4 Y N 2.576 122.740 120.300 -0.227 0.000 2.331 4 Y HA 0.541 5.091 4.550 -0.000 0.000 0.338 4 Y C 0.426 176.136 175.900 -0.317 0.000 0.976 4 Y CA -0.441 57.336 58.100 -0.538 0.000 1.137 4 Y CB 1.524 39.262 38.460 -1.204 0.000 1.172 4 Y HN 0.668 nan 8.280 nan 0.000 0.478 5 S N 3.017 118.704 115.700 -0.023 0.000 2.664 5 S HA 0.855 5.325 4.470 -0.000 0.000 0.304 5 S C -1.221 173.419 174.600 0.066 0.000 1.099 5 S CA -0.697 57.511 58.200 0.014 0.000 1.003 5 S CB 2.290 65.683 63.200 0.322 0.000 1.092 5 S HN 0.540 nan 8.310 nan 0.000 0.525 6 I N 0.356 120.867 120.570 -0.099 0.000 2.722 6 I HA 0.597 4.767 4.170 -0.000 0.000 0.292 6 I C -1.968 174.122 176.117 -0.045 0.000 1.267 6 I CA -1.122 60.196 61.300 0.029 0.000 1.036 6 I CB 1.666 39.706 38.000 0.066 0.000 1.281 6 I HN 0.869 nan 8.210 nan 0.000 0.423 7 I N 6.702 127.337 120.570 0.108 0.000 2.478 7 I HA 0.597 4.767 4.170 -0.000 0.000 0.287 7 I C -0.707 175.499 176.117 0.148 0.000 1.042 7 I CA -0.429 60.957 61.300 0.142 0.000 1.067 7 I CB 2.135 40.304 38.000 0.281 0.000 1.233 7 I HN 0.681 nan 8.210 nan 0.000 0.431 8 T N 2.780 117.409 114.554 0.125 0.000 2.900 8 T HA 0.566 4.916 4.350 -0.000 0.000 0.303 8 T C -2.978 171.796 174.700 0.124 0.000 1.142 8 T CA -2.404 59.777 62.100 0.135 0.000 1.007 8 T CB 2.070 71.027 68.868 0.149 0.000 1.156 8 T HN 0.089 nan 8.240 nan 0.000 0.490 9 P HA 0.166 nan 4.420 nan 0.000 0.267 9 P C 0.660 178.010 177.300 0.083 0.000 1.201 9 P CA -0.143 63.014 63.100 0.095 0.000 0.775 9 P CB 0.418 32.151 31.700 0.056 0.000 0.854 10 N N 1.069 119.820 118.700 0.084 0.000 2.094 10 N HA -0.121 4.619 4.740 -0.000 0.000 0.191 10 N C 0.494 176.030 175.510 0.043 0.000 1.023 10 N CA 1.433 54.526 53.050 0.071 0.000 0.857 10 N CB -0.327 38.203 38.487 0.071 0.000 1.013 10 N HN 0.435 nan 8.380 nan 0.000 0.426 11 I N 0.916 121.495 120.570 0.014 0.000 2.447 11 I HA 0.236 4.406 4.170 -0.000 0.000 0.287 11 I C -0.630 175.458 176.117 -0.049 0.000 1.023 11 I CA -0.565 60.716 61.300 -0.033 0.000 1.083 11 I CB 2.126 40.089 38.000 -0.062 0.000 1.245 11 I HN -0.192 nan 8.210 nan 0.000 0.434 12 L N 6.111 127.307 121.223 -0.045 0.000 2.350 12 L HA 0.500 4.839 4.340 -0.000 0.000 0.275 12 L C 0.200 177.002 176.870 -0.114 0.000 1.099 12 L CA -0.536 54.276 54.840 -0.047 0.000 0.808 12 L CB 0.788 42.870 42.059 0.038 0.000 1.149 12 L HN 0.549 nan 8.230 nan 0.000 0.442 13 R N 2.412 122.826 120.500 -0.143 0.000 2.668 13 R HA 0.638 4.977 4.340 -0.000 0.000 0.279 13 R C -0.857 175.355 176.300 -0.146 0.000 0.976 13 R CA -0.841 55.152 56.100 -0.178 0.000 0.978 13 R CB 1.485 31.638 30.300 -0.244 0.000 1.133 13 R HN 0.448 nan 8.270 nan 0.000 0.484 14 L N 1.654 122.787 121.223 -0.150 0.000 2.399 14 L HA 0.209 4.549 4.340 -0.000 0.000 0.266 14 L C 0.381 177.194 176.870 -0.094 0.000 1.114 14 L CA -0.146 54.604 54.840 -0.150 0.000 0.804 14 L CB 0.615 42.557 42.059 -0.195 0.000 1.146 14 L HN 0.739 nan 8.230 nan 0.000 0.451 15 E N 0.230 120.384 120.200 -0.076 0.000 2.389 15 E HA -0.208 4.142 4.350 -0.000 0.000 0.243 15 E C -0.562 176.014 176.600 -0.040 0.000 1.154 15 E CA 0.585 56.958 56.400 -0.045 0.000 0.723 15 E CB -1.145 28.532 29.700 -0.038 0.000 1.261 15 E HN 0.724 nan 8.360 nan 0.000 0.390 16 S N -1.298 114.367 115.700 -0.059 0.000 2.672 16 S HA 0.513 4.983 4.470 -0.000 0.000 0.271 16 S C -0.961 173.569 174.600 -0.118 0.000 1.171 16 S CA -1.235 56.925 58.200 -0.066 0.000 0.817 16 S CB 1.867 65.033 63.200 -0.057 0.000 1.150 16 S HN 0.130 nan 8.310 nan 0.000 0.478 17 E N 0.891 121.012 120.200 -0.131 0.000 2.092 17 E HA 0.376 4.726 4.350 -0.000 0.000 0.271 17 E C -0.977 175.459 176.600 -0.274 0.000 0.919 17 E CA -0.639 55.636 56.400 -0.208 0.000 0.760 17 E CB 1.133 30.754 29.700 -0.131 0.000 1.106 17 E HN 0.406 nan 8.360 nan 0.000 0.408 18 E N 2.079 121.976 120.200 -0.505 0.000 2.216 18 E HA 0.214 4.564 4.350 -0.000 0.000 0.279 18 E C -0.379 175.961 176.600 -0.433 0.000 0.997 18 E CA -0.393 55.730 56.400 -0.460 0.000 0.817 18 E CB 1.730 31.122 29.700 -0.513 0.000 1.096 18 E HN 0.294 nan 8.360 nan 0.000 0.393 19 T N 2.670 117.117 114.554 -0.177 0.000 2.907 19 T HA 0.332 4.682 4.350 -0.000 0.000 0.298 19 T C 0.380 175.101 174.700 0.035 0.000 1.017 19 T CA -0.098 61.965 62.100 -0.063 0.000 1.118 19 T CB 0.421 69.283 68.868 -0.010 0.000 0.948 19 T HN 0.288 nan 8.240 nan 0.000 0.531 20 M N 3.728 123.392 119.600 0.107 0.000 2.093 20 M HA 0.410 4.890 4.480 -0.000 0.000 0.297 20 M C -1.500 174.888 176.300 0.147 0.000 0.938 20 M CA -0.731 54.679 55.300 0.184 0.000 0.920 20 M CB 0.915 33.696 32.600 0.300 0.000 1.517 20 M HN 0.302 nan 8.290 nan 0.000 0.427 21 V N 6.575 126.582 119.914 0.156 0.000 2.389 21 V HA 0.322 4.442 4.120 -0.000 0.000 0.264 21 V C -0.062 176.151 176.094 0.198 0.000 1.049 21 V CA -0.345 62.052 62.300 0.163 0.000 0.932 21 V CB 0.666 32.600 31.823 0.185 0.000 1.011 21 V HN 0.773 nan 8.190 nan 0.000 0.475 22 L N 5.598 126.937 121.223 0.193 0.000 2.309 22 L HA 0.674 5.014 4.340 -0.000 0.000 0.282 22 L C 0.152 177.169 176.870 0.246 0.000 1.036 22 L CA -0.239 54.764 54.840 0.272 0.000 0.806 22 L CB 1.454 43.669 42.059 0.259 0.000 1.220 22 L HN 0.642 nan 8.230 nan 0.000 0.429 23 E N 1.524 121.875 120.200 0.251 0.000 2.446 23 E HA 0.830 5.180 4.350 -0.000 0.000 0.276 23 E C -1.442 175.079 176.600 -0.131 0.000 0.969 23 E CA -1.065 55.375 56.400 0.066 0.000 0.800 23 E CB 2.685 32.498 29.700 0.188 0.000 1.341 23 E HN 0.596 nan 8.360 nan 0.000 0.460 24 A N 1.725 124.257 122.820 -0.480 0.000 2.465 24 A HA 0.512 4.831 4.320 -0.000 0.000 0.292 24 A C -1.666 175.420 177.584 -0.830 0.000 1.041 24 A CA -0.695 50.998 52.037 -0.572 0.000 0.718 24 A CB 0.953 19.785 19.000 -0.280 0.000 1.266 24 A HN 0.629 nan 8.150 nan 0.000 0.403 25 H N 2.783 121.695 119.070 -0.264 0.000 2.991 25 H HA 0.309 4.865 4.556 -0.000 0.000 0.304 25 H C -0.939 174.267 175.328 -0.204 0.000 1.040 25 H CA -0.537 55.435 56.048 -0.127 0.000 1.410 25 H CB 1.608 31.383 29.762 0.022 0.000 1.529 25 H HN 0.700 nan 8.280 nan 0.000 0.509 26 D N 1.618 121.942 120.400 -0.127 0.000 2.995 26 D HA 0.274 4.914 4.640 -0.000 0.000 0.289 26 D C 1.145 177.227 176.300 -0.363 0.000 1.116 26 D CA 1.049 54.940 54.000 -0.181 0.000 0.994 26 D CB 0.341 41.111 40.800 -0.051 0.000 1.209 26 D HN 0.755 nan 8.370 nan 0.000 0.458 27 A N 0.072 122.753 122.820 -0.232 0.000 5.100 27 A HA -0.183 4.137 4.320 -0.000 0.000 0.533 27 A C -0.356 177.148 177.584 -0.135 0.000 1.142 27 A CA 0.548 52.481 52.037 -0.174 0.000 0.463 27 A CB -0.926 17.966 19.000 -0.179 0.000 3.021 27 A HN 0.192 nan 8.150 nan 0.000 0.487 28 Q N -0.778 119.020 119.800 -0.005 0.000 2.544 28 Q HA 0.632 4.972 4.340 -0.000 0.000 0.291 28 Q C 0.422 176.500 176.000 0.130 0.000 1.068 28 Q CA -0.295 55.559 55.803 0.085 0.000 0.785 28 Q CB 2.021 30.793 28.738 0.057 0.000 1.481 28 Q HN 2.886 nan 8.270 nan 0.000 0.430 29 G N 1.104 109.986 108.800 0.137 0.000 2.645 29 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.239 29 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.239 29 G C -1.279 173.694 174.900 0.121 0.000 1.331 29 G CA -0.452 44.708 45.100 0.100 0.000 0.890 29 G HN 0.587 nan 8.290 nan 0.000 0.572 30 D N -0.303 120.146 120.400 0.082 0.000 2.210 30 D HA 0.484 5.123 4.640 -0.000 0.000 0.249 30 D C -0.005 176.357 176.300 0.103 0.000 1.078 30 D CA 0.160 54.205 54.000 0.076 0.000 0.875 30 D CB 1.882 42.706 40.800 0.040 0.000 1.175 30 D HN 0.875 nan 8.370 nan 0.000 0.440 31 V N 3.782 123.775 119.914 0.132 0.000 2.357 31 V HA 0.356 4.476 4.120 -0.000 0.000 0.281 31 V C -2.682 173.478 176.094 0.110 0.000 1.015 31 V CA -2.145 60.244 62.300 0.148 0.000 0.827 31 V CB 1.626 33.601 31.823 0.253 0.000 1.018 31 V HN 0.317 nan 8.190 nan 0.000 0.432 32 P HA 0.225 nan 4.420 nan 0.000 0.266 32 P C -1.042 176.232 177.300 -0.043 0.000 1.195 32 P CA 0.230 63.332 63.100 0.005 0.000 0.768 32 P CB 0.860 32.555 31.700 -0.009 0.000 0.838 33 V N 2.397 122.256 119.914 -0.093 0.000 2.577 33 V HA 0.418 4.537 4.120 -0.000 0.000 0.303 33 V C -0.086 175.884 176.094 -0.207 0.000 1.042 33 V CA -0.554 61.605 62.300 -0.236 0.000 0.872 33 V CB 1.999 33.647 31.823 -0.291 0.000 0.998 33 V HN 0.641 nan 8.190 nan 0.000 0.423 34 T N 1.409 115.820 114.554 -0.239 0.000 2.893 34 T HA 0.607 4.957 4.350 -0.000 0.000 0.324 34 T C -0.509 174.066 174.700 -0.208 0.000 1.082 34 T CA -0.588 61.406 62.100 -0.176 0.000 0.983 34 T CB 0.969 69.762 68.868 -0.126 0.000 1.005 34 T HN 0.256 nan 8.240 nan 0.000 0.475 35 V N 4.459 124.256 119.914 -0.196 0.000 2.455 35 V HA 0.414 4.534 4.120 -0.000 0.000 0.273 35 V C 0.454 176.417 176.094 -0.219 0.000 1.045 35 V CA -0.087 62.084 62.300 -0.215 0.000 0.976 35 V CB 0.906 32.616 31.823 -0.188 0.000 0.993 35 V HN 1.048 nan 8.190 nan 0.000 0.475 36 T N 4.674 119.081 114.554 -0.246 0.000 2.881 36 T HA 0.487 4.837 4.350 -0.000 0.000 0.291 36 T C -0.512 173.921 174.700 -0.445 0.000 0.990 36 T CA -0.406 61.501 62.100 -0.323 0.000 0.976 36 T CB 1.631 70.343 68.868 -0.261 0.000 0.970 36 T HN 0.291 nan 8.240 nan 0.000 0.438 37 V N 4.645 124.257 119.914 -0.503 0.000 2.347 37 V HA 0.424 4.544 4.120 -0.000 0.000 0.280 37 V C -0.387 175.465 176.094 -0.403 0.000 1.021 37 V CA -0.746 61.299 62.300 -0.424 0.000 0.847 37 V CB 0.637 32.197 31.823 -0.439 0.000 0.990 37 V HN 0.883 nan 8.190 nan 0.000 0.444 38 H N 1.757 120.817 119.070 -0.018 0.000 2.630 38 H HA 0.557 5.113 4.556 -0.000 0.000 0.343 38 H C -0.100 175.296 175.328 0.113 0.000 1.232 38 H CA -0.856 55.217 56.048 0.041 0.000 1.294 38 H CB 0.934 30.716 29.762 0.034 0.000 1.746 38 H HN 0.742 nan 8.280 nan 0.000 0.593 39 D N -0.208 120.361 120.400 0.281 0.000 2.469 39 D HA 0.236 4.876 4.640 -0.000 0.000 0.278 39 D C -0.656 175.849 176.300 0.341 0.000 1.231 39 D CA -0.440 53.731 54.000 0.286 0.000 1.075 39 D CB 0.716 41.605 40.800 0.149 0.000 1.121 39 D HN 0.390 nan 8.370 nan 0.000 0.571 40 F N -1.222 118.798 119.950 0.117 0.000 2.669 40 F HA 0.409 4.936 4.527 -0.000 0.000 0.315 40 F C -2.892 172.952 175.800 0.074 0.000 1.109 40 F CA -1.373 56.685 58.000 0.096 0.000 1.028 40 F CB 0.942 40.030 39.000 0.146 0.000 1.287 40 F HN 0.158 nan 8.300 nan 0.000 0.452 41 P HA 0.636 nan 4.420 nan 0.000 0.275 41 P C -0.307 176.902 177.300 -0.151 0.000 1.266 41 P CA 0.643 63.307 63.100 -0.726 0.000 0.793 41 P CB 0.601 31.891 31.700 -0.684 0.000 1.074 42 G N 0.008 108.794 108.800 -0.023 0.000 2.728 42 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 42 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 42 G C -0.389 174.523 174.900 0.021 0.000 1.337 42 G CA -0.499 44.593 45.100 -0.012 0.000 0.861 42 G HN 0.713 nan 8.290 nan 0.000 0.597 43 K N 0.778 121.160 120.400 -0.029 0.000 3.001 43 K HA 0.192 4.512 4.320 -0.000 0.000 0.257 43 K C 0.844 177.425 176.600 -0.033 0.000 1.290 43 K CA -0.290 55.939 56.287 -0.096 0.000 1.252 43 K CB -0.252 32.113 32.500 -0.224 0.000 1.656 43 K HN 0.462 nan 8.250 nan 0.000 0.351 44 K N 4.019 124.439 120.400 0.034 0.000 2.110 44 K HA 0.075 4.395 4.320 -0.000 0.000 0.260 44 K C 0.010 176.683 176.600 0.121 0.000 1.126 44 K CA -0.387 55.929 56.287 0.048 0.000 1.005 44 K CB -0.083 32.424 32.500 0.012 0.000 1.336 44 K HN 0.440 nan 8.250 nan 0.000 0.369 45 L N 1.593 122.912 121.223 0.160 0.000 2.417 45 L HA 0.593 4.933 4.340 -0.000 0.000 0.268 45 L C -0.442 176.484 176.870 0.094 0.000 1.158 45 L CA -0.806 54.163 54.840 0.215 0.000 0.819 45 L CB 1.282 43.504 42.059 0.273 0.000 1.112 45 L HN 0.219 nan 8.230 nan 0.000 0.458 46 V N 3.861 123.811 119.914 0.060 0.000 2.971 46 V HA 0.333 4.453 4.120 -0.000 0.000 0.309 46 V C 0.402 176.501 176.094 0.009 0.000 1.130 46 V CA -0.585 61.728 62.300 0.020 0.000 0.964 46 V CB 2.240 34.042 31.823 -0.035 0.000 1.029 46 V HN 0.968 nan 8.190 nan 0.000 0.427 47 L N 2.981 124.195 121.223 -0.016 0.000 2.013 47 L HA 0.326 4.666 4.340 -0.000 0.000 0.204 47 L C 0.520 177.390 176.870 0.000 0.000 1.081 47 L CA 0.868 55.725 54.840 0.028 0.000 0.751 47 L CB -0.097 41.995 42.059 0.055 0.000 0.901 47 L HN 0.664 nan 8.230 nan 0.000 0.440 48 S N -1.060 114.602 115.700 -0.063 0.000 2.572 48 S HA 0.391 4.860 4.470 -0.000 0.000 0.274 48 S C -0.881 173.646 174.600 -0.121 0.000 1.150 48 S CA -0.495 57.681 58.200 -0.040 0.000 0.944 48 S CB 2.314 65.554 63.200 0.068 0.000 1.071 48 S HN 0.146 nan 8.310 nan 0.000 0.479 49 S N 2.309 117.963 115.700 -0.077 0.000 2.519 49 S HA 0.651 5.121 4.470 -0.000 0.000 0.309 49 S C -1.288 173.280 174.600 -0.053 0.000 1.100 49 S CA -0.558 57.583 58.200 -0.099 0.000 1.059 49 S CB 0.566 63.713 63.200 -0.089 0.000 1.008 49 S HN 0.602 nan 8.310 nan 0.000 0.478 50 E N 2.789 122.951 120.200 -0.064 0.000 2.336 50 E HA 0.562 4.912 4.350 -0.000 0.000 0.267 50 E C -1.064 175.505 176.600 -0.052 0.000 0.906 50 E CA -0.808 55.575 56.400 -0.029 0.000 0.781 50 E CB 2.001 31.710 29.700 0.015 0.000 1.261 50 E HN 0.598 nan 8.360 nan 0.000 0.436 51 K N 0.178 120.557 120.400 -0.036 0.000 2.469 51 K HA 0.707 5.027 4.320 -0.000 0.000 0.254 51 K C -0.682 175.900 176.600 -0.030 0.000 0.939 51 K CA -0.684 55.575 56.287 -0.046 0.000 0.812 51 K CB 2.542 35.019 32.500 -0.040 0.000 1.301 51 K HN 0.458 nan 8.250 nan 0.000 0.433 52 T N -0.092 114.440 114.554 -0.036 0.000 2.775 52 T HA 0.420 4.770 4.350 -0.000 0.000 0.320 52 T C -1.963 172.730 174.700 -0.011 0.000 1.597 52 T CA -0.575 61.516 62.100 -0.016 0.000 1.022 52 T CB 1.424 70.290 68.868 -0.004 0.000 1.485 52 T HN 0.189 nan 8.240 nan 0.000 0.494 53 V N 3.371 123.288 119.914 0.005 0.000 2.588 53 V HA 0.527 4.647 4.120 -0.000 0.000 0.304 53 V C -0.280 175.832 176.094 0.029 0.000 1.042 53 V CA -0.872 61.440 62.300 0.019 0.000 0.877 53 V CB 1.735 33.565 31.823 0.010 0.000 0.996 53 V HN 0.773 nan 8.190 nan 0.000 0.425 54 L N 4.258 125.521 121.223 0.067 0.000 2.312 54 L HA 0.378 4.718 4.340 -0.000 0.000 0.287 54 L C 0.326 177.180 176.870 -0.027 0.000 1.091 54 L CA 0.134 55.012 54.840 0.065 0.000 0.846 54 L CB 0.624 42.802 42.059 0.197 0.000 1.219 54 L HN 0.632 nan 8.230 nan 0.000 0.439 55 T N 4.175 118.661 114.554 -0.114 0.000 2.799 55 T HA 0.203 4.553 4.350 -0.000 0.000 0.286 55 T C -1.622 172.840 174.700 -0.396 0.000 0.973 55 T CA -1.212 60.779 62.100 -0.181 0.000 1.035 55 T CB 1.771 70.578 68.868 -0.102 0.000 0.932 55 T HN 0.294 nan 8.240 nan 0.000 0.469 56 P HA -0.082 nan 4.420 nan 0.000 0.220 56 P C 1.235 178.370 177.300 -0.275 0.000 1.144 56 P CA 0.501 63.249 63.100 -0.587 0.000 0.800 56 P CB 0.068 31.644 31.700 -0.207 0.000 0.772 57 A N -0.526 122.185 122.820 -0.181 0.000 2.067 57 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 57 A C 1.841 179.366 177.584 -0.099 0.000 1.158 57 A CA 1.991 53.966 52.037 -0.103 0.000 0.661 57 A CB -1.492 17.466 19.000 -0.070 0.000 0.801 57 A HN 0.341 nan 8.150 nan 0.000 0.452 58 T N -4.135 110.338 114.554 -0.135 0.000 3.214 58 T HA 0.219 4.569 4.350 -0.000 0.000 0.264 58 T C 0.370 174.999 174.700 -0.119 0.000 1.012 58 T CA 0.317 62.358 62.100 -0.099 0.000 0.901 58 T CB -0.905 67.918 68.868 -0.075 0.000 1.070 58 T HN 0.610 nan 8.240 nan 0.000 0.561 59 N N 2.318 120.925 118.700 -0.156 0.000 2.714 59 N HA -0.265 4.475 4.740 -0.000 0.000 0.250 59 N C -0.895 174.555 175.510 -0.098 0.000 1.117 59 N CA 0.585 53.552 53.050 -0.138 0.000 0.719 59 N CB -1.338 37.060 38.487 -0.149 0.000 1.081 59 N HN 0.752 nan 8.380 nan 0.000 0.557 60 H N -2.139 116.853 119.070 -0.130 0.000 2.794 60 H HA -0.162 4.394 4.556 -0.000 0.000 0.334 60 H C -0.440 174.827 175.328 -0.101 0.000 1.154 60 H CA 1.461 57.441 56.048 -0.114 0.000 1.129 60 H CB -1.285 28.375 29.762 -0.171 0.000 1.600 60 H HN 0.420 nan 8.280 nan 0.000 0.410 61 M N 0.663 120.269 119.600 0.009 0.000 2.327 61 M HA 0.437 4.916 4.480 -0.000 0.000 0.298 61 M C 0.710 177.039 176.300 0.049 0.000 1.065 61 M CA -0.361 54.957 55.300 0.031 0.000 0.916 61 M CB 2.605 35.205 32.600 0.000 0.000 1.630 61 M HN 0.391 nan 8.290 nan 0.000 0.442 62 G N 1.105 109.957 108.800 0.085 0.000 2.410 62 G HA2 0.493 4.452 3.960 -0.000 0.000 0.330 62 G HA3 0.493 4.452 3.960 -0.000 0.000 0.330 62 G C -0.787 174.153 174.900 0.067 0.000 1.142 62 G CA -0.257 44.889 45.100 0.078 0.000 0.902 62 G HN 0.664 nan 8.290 nan 0.000 0.491 63 N N 0.401 119.132 118.700 0.051 0.000 2.726 63 N HA 0.211 4.951 4.740 -0.000 0.000 0.253 63 N C -0.599 174.938 175.510 0.046 0.000 1.530 63 N CA -0.447 52.631 53.050 0.047 0.000 0.772 63 N CB 1.108 39.614 38.487 0.031 0.000 1.220 63 N HN 0.486 nan 8.380 nan 0.000 0.508 64 V N -0.167 119.787 119.914 0.066 0.000 2.472 64 V HA 0.838 4.958 4.120 -0.000 0.000 0.290 64 V C 0.231 176.386 176.094 0.102 0.000 1.037 64 V CA -0.591 61.756 62.300 0.078 0.000 0.908 64 V CB 1.093 32.966 31.823 0.084 0.000 0.985 64 V HN 0.437 nan 8.190 nan 0.000 0.454 65 T N 2.806 117.403 114.554 0.070 0.000 2.815 65 T HA 0.750 5.100 4.350 -0.000 0.000 0.289 65 T C -0.708 174.010 174.700 0.030 0.000 1.000 65 T CA -0.439 61.654 62.100 -0.011 0.000 0.958 65 T CB 0.867 69.698 68.868 -0.060 0.000 0.944 65 T HN 1.002 nan 8.240 nan 0.000 0.442 66 F N 0.177 120.117 119.950 -0.017 0.000 2.470 66 F HA 0.817 5.344 4.527 -0.000 0.000 0.329 66 F C -0.242 175.544 175.800 -0.023 0.000 1.072 66 F CA -1.182 56.804 58.000 -0.023 0.000 0.989 66 F CB 1.191 40.171 39.000 -0.032 0.000 1.193 66 F HN 0.393 nan 8.300 nan 0.000 0.481 67 T N 4.337 118.960 114.554 0.115 0.000 2.874 67 T HA 0.448 4.798 4.350 -0.000 0.000 0.321 67 T C 0.030 174.790 174.700 0.100 0.000 1.075 67 T CA -0.339 61.779 62.100 0.028 0.000 0.966 67 T CB 0.013 68.886 68.868 0.009 0.000 1.001 67 T HN 0.483 nan 8.240 nan 0.000 0.476 68 I N 5.146 125.780 120.570 0.105 0.000 2.556 68 I HA 0.184 4.354 4.170 -0.000 0.000 0.284 68 I C -1.857 174.257 176.117 -0.005 0.000 1.114 68 I CA -2.231 59.121 61.300 0.085 0.000 1.418 68 I CB 0.626 38.668 38.000 0.070 0.000 1.394 68 I HN 0.242 nan 8.210 nan 0.000 0.552 69 P HA -0.089 nan 4.420 nan 0.000 0.269 69 P C 0.123 177.376 177.300 -0.078 0.000 1.205 69 P CA 0.359 63.466 63.100 0.011 0.000 0.780 69 P CB 0.449 32.209 31.700 0.100 0.000 0.858 70 A N -0.599 122.198 122.820 -0.037 0.000 2.996 70 A HA -0.177 4.143 4.320 -0.000 0.000 0.257 70 A C 0.122 177.756 177.584 0.082 0.000 1.394 70 A CA 0.509 52.561 52.037 0.025 0.000 0.820 70 A CB -2.707 16.304 19.000 0.020 0.000 1.054 70 A HN 0.568 nan 8.150 nan 0.000 0.619 71 N N -1.388 117.403 118.700 0.152 0.000 2.453 71 N HA 0.612 5.352 4.740 -0.000 0.000 0.290 71 N C 0.655 176.289 175.510 0.208 0.000 1.250 71 N CA -0.455 52.724 53.050 0.216 0.000 0.815 71 N CB 1.170 39.874 38.487 0.361 0.000 1.381 71 N HN 0.378 nan 8.380 nan 0.000 0.510 72 R N 0.325 120.909 120.500 0.139 0.000 2.362 72 R HA 0.164 4.504 4.340 -0.000 0.000 0.227 72 R C 0.017 176.359 176.300 0.069 0.000 0.905 72 R CA 0.260 56.421 56.100 0.102 0.000 1.067 72 R CB 0.348 30.686 30.300 0.062 0.000 1.078 72 R HN 0.441 nan 8.270 nan 0.000 0.516 73 E N -0.087 120.137 120.200 0.040 0.000 2.358 73 E HA -0.075 4.274 4.350 -0.000 0.000 0.195 73 E C -0.392 176.061 176.600 -0.245 0.000 1.010 73 E CA 0.579 56.897 56.400 -0.137 0.000 0.856 73 E CB 0.141 29.687 29.700 -0.256 0.000 0.795 73 E HN 0.227 nan 8.360 nan 0.000 0.504 74 F N 1.870 121.833 119.950 0.022 0.000 2.467 74 F HA 0.246 4.773 4.527 -0.000 0.000 0.349 74 F C 0.746 176.557 175.800 0.018 0.000 1.182 74 F CA -0.128 57.885 58.000 0.021 0.000 1.279 74 F CB 0.281 39.295 39.000 0.023 0.000 1.626 74 F HN -0.368 nan 8.300 nan 0.000 0.596 79 G N 1.339 110.148 108.800 0.015 0.000 2.877 79 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.279 79 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.279 79 G C -0.610 174.311 174.900 0.035 0.000 1.431 79 G CA 0.183 45.294 45.100 0.018 0.000 0.883 79 G HN 0.720 nan 8.290 nan 0.000 0.547 80 R N -1.545 118.981 120.500 0.044 0.000 3.773 80 R HA -0.168 4.172 4.340 -0.000 0.000 0.514 80 R C 0.209 176.560 176.300 0.085 0.000 0.241 80 R CA 1.223 57.367 56.100 0.075 0.000 1.604 80 R CB -1.525 28.823 30.300 0.081 0.000 1.012 80 R HN 1.147 nan 8.270 nan 0.000 0.561 81 N N 0.711 119.497 118.700 0.143 0.000 2.629 81 N HA 0.507 5.247 4.740 -0.000 0.000 0.279 81 N C -1.088 174.520 175.510 0.164 0.000 1.344 81 N CA -0.729 52.383 53.050 0.103 0.000 0.789 81 N CB 1.293 39.818 38.487 0.064 0.000 1.508 81 N HN 0.262 nan 8.380 nan 0.000 0.516 82 K N 0.386 120.795 120.400 0.015 0.000 2.397 82 K HA 0.539 4.859 4.320 -0.000 0.000 0.253 82 K C -1.219 175.386 176.600 0.009 0.000 0.932 82 K CA -0.392 56.003 56.287 0.180 0.000 0.795 82 K CB 1.636 34.291 32.500 0.260 0.000 1.159 82 K HN 0.290 nan 8.250 nan 0.000 0.424 83 F N 0.786 120.967 119.950 0.385 0.000 2.598 83 F HA 0.571 5.098 4.527 -0.000 0.000 0.327 83 F C -0.136 175.861 175.800 0.328 0.000 1.057 83 F CA -1.053 57.119 58.000 0.287 0.000 0.957 83 F CB 1.867 40.945 39.000 0.129 0.000 1.278 83 F HN 0.174 nan 8.300 nan 0.000 0.484 84 V N -1.736 118.392 119.914 0.357 0.000 2.709 84 V HA 0.587 4.707 4.120 -0.000 0.000 0.308 84 V C -0.592 175.593 176.094 0.153 0.000 1.062 84 V CA -0.752 61.713 62.300 0.275 0.000 0.901 84 V CB 1.145 33.087 31.823 0.198 0.000 1.003 84 V HN 0.708 nan 8.190 nan 0.000 0.425 85 T N 4.158 118.802 114.554 0.149 0.000 2.776 85 T HA 0.363 4.713 4.350 -0.000 0.000 0.292 85 T C 0.106 174.832 174.700 0.044 0.000 0.921 85 T CA -0.016 62.131 62.100 0.078 0.000 1.038 85 T CB 0.452 69.392 68.868 0.120 0.000 0.910 85 T HN 0.664 nan 8.240 nan 0.000 0.536 86 V N 5.234 125.138 119.914 -0.017 0.000 2.405 86 V HA 0.246 4.366 4.120 -0.000 0.000 0.264 86 V C 0.367 176.420 176.094 -0.069 0.000 1.048 86 V CA -0.302 61.942 62.300 -0.093 0.000 0.966 86 V CB 0.747 32.519 31.823 -0.086 0.000 1.015 86 V HN 0.772 nan 8.190 nan 0.000 0.477 87 Q N 3.777 123.524 119.800 -0.089 0.000 2.337 87 Q HA 0.774 5.114 4.340 -0.000 0.000 0.266 87 Q C -0.893 175.032 176.000 -0.125 0.000 1.023 87 Q CA -0.725 55.045 55.803 -0.055 0.000 0.829 87 Q CB 2.109 30.868 28.738 0.036 0.000 1.306 87 Q HN 0.815 nan 8.270 nan 0.000 0.449 88 A N 2.800 125.545 122.820 -0.125 0.000 2.385 88 A HA 0.537 4.857 4.320 -0.000 0.000 0.290 88 A C -0.974 176.396 177.584 -0.357 0.000 1.094 88 A CA -0.538 51.335 52.037 -0.272 0.000 0.729 88 A CB 1.732 20.563 19.000 -0.281 0.000 1.194 88 A HN 0.644 nan 8.150 nan 0.000 0.442 89 T N 2.314 116.628 114.554 -0.400 0.000 2.767 89 T HA 0.490 4.840 4.350 -0.000 0.000 0.288 89 T C -0.671 173.713 174.700 -0.526 0.000 0.963 89 T CA 0.310 62.219 62.100 -0.318 0.000 1.019 89 T CB -0.028 68.736 68.868 -0.174 0.000 0.923 89 T HN 0.345 nan 8.240 nan 0.000 0.468 90 F N 2.981 122.754 119.950 -0.294 0.000 2.461 90 F HA 0.483 5.010 4.527 -0.000 0.000 0.321 90 F C 1.490 177.088 175.800 -0.338 0.000 1.203 90 F CA -0.390 57.361 58.000 -0.416 0.000 1.238 90 F CB -0.003 38.405 39.000 -0.986 0.000 1.528 90 F HN 0.925 nan 8.300 nan 0.000 0.554 91 G N 0.789 109.538 108.800 -0.085 0.000 5.155 91 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.239 91 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.239 91 G C 1.115 175.991 174.900 -0.041 0.000 1.409 91 G CA 0.868 45.943 45.100 -0.042 0.000 0.927 91 G HN 0.373 nan 8.290 nan 0.000 0.710 92 T N 0.041 114.571 114.554 -0.040 0.000 3.176 92 T HA 0.299 4.649 4.350 -0.000 0.000 0.259 92 T C 0.779 175.465 174.700 -0.023 0.000 0.978 92 T CA 0.941 63.029 62.100 -0.021 0.000 1.050 92 T CB 0.237 69.108 68.868 0.004 0.000 1.136 92 T HN 0.557 nan 8.240 nan 0.000 0.465 93 Q N 3.144 122.923 119.800 -0.035 0.000 2.244 93 Q HA 0.285 4.625 4.340 -0.000 0.000 0.278 93 Q C -0.753 175.249 176.000 0.004 0.000 1.093 93 Q CA 0.034 55.830 55.803 -0.011 0.000 0.916 93 Q CB 0.479 29.225 28.738 0.012 0.000 1.159 93 Q HN 0.245 nan 8.270 nan 0.000 0.384 94 V N 6.014 125.944 119.914 0.026 0.000 2.370 94 V HA 0.560 4.680 4.120 -0.000 0.000 0.279 94 V C -1.049 175.085 176.094 0.067 0.000 1.029 94 V CA -0.580 61.739 62.300 0.032 0.000 0.870 94 V CB 1.485 33.308 31.823 -0.000 0.000 0.984 94 V HN 0.617 nan 8.190 nan 0.000 0.451 95 V N 8.084 128.070 119.914 0.120 0.000 2.334 95 V HA 0.536 4.656 4.120 -0.000 0.000 0.281 95 V C -0.095 176.029 176.094 0.050 0.000 1.016 95 V CA -0.479 61.888 62.300 0.111 0.000 0.832 95 V CB 1.398 33.351 31.823 0.217 0.000 0.999 95 V HN 1.019 nan 8.190 nan 0.000 0.439 96 E N 3.987 124.191 120.200 0.007 0.000 2.288 96 E HA 0.894 5.244 4.350 -0.000 0.000 0.268 96 E C -1.110 175.468 176.600 -0.038 0.000 0.885 96 E CA -1.328 55.063 56.400 -0.015 0.000 0.767 96 E CB 3.110 32.804 29.700 -0.010 0.000 1.220 96 E HN 0.342 nan 8.360 nan 0.000 0.427 97 K N 1.206 121.580 120.400 -0.045 0.000 2.557 97 K HA 0.303 4.623 4.320 -0.000 0.000 0.257 97 K C -2.053 174.515 176.600 -0.054 0.000 0.933 97 K CA -0.705 55.546 56.287 -0.061 0.000 0.820 97 K CB 2.254 34.712 32.500 -0.069 0.000 1.330 97 K HN 0.453 nan 8.250 nan 0.000 0.432 98 V N 3.988 123.851 119.914 -0.085 0.000 2.465 98 V HA 0.534 4.654 4.120 -0.000 0.000 0.279 98 V C -0.383 175.726 176.094 0.024 0.000 1.045 98 V CA -0.728 61.522 62.300 -0.084 0.000 0.938 98 V CB 1.360 33.012 31.823 -0.285 0.000 0.986 98 V HN 0.533 nan 8.190 nan 0.000 0.467 99 V N 5.450 125.433 119.914 0.115 0.000 2.715 99 V HA 0.450 4.570 4.120 -0.000 0.000 0.310 99 V C -0.112 176.111 176.094 0.216 0.000 1.054 99 V CA -0.835 61.561 62.300 0.160 0.000 0.928 99 V CB 1.909 33.791 31.823 0.099 0.000 1.007 99 V HN 0.709 nan 8.190 nan 0.000 0.437 100 L N 4.653 125.944 121.223 0.113 0.000 2.467 100 L HA 0.494 4.834 4.340 -0.000 0.000 0.270 100 L C -0.283 176.428 176.870 -0.265 0.000 1.205 100 L CA 0.715 55.342 54.840 -0.356 0.000 0.828 100 L CB 1.104 42.989 42.059 -0.289 0.000 1.101 100 L HN 0.461 nan 8.230 nan 0.000 0.479 101 V N 3.210 122.896 119.914 -0.379 0.000 2.735 101 V HA 0.524 4.644 4.120 -0.000 0.000 0.310 101 V C -0.210 175.758 176.094 -0.210 0.000 1.061 101 V CA -0.647 61.519 62.300 -0.223 0.000 0.913 101 V CB 1.671 33.387 31.823 -0.179 0.000 1.005 101 V HN 0.880 nan 8.190 nan 0.000 0.428 102 S N 2.908 118.507 115.700 -0.167 0.000 2.578 102 S HA 0.496 4.966 4.470 -0.000 0.000 0.283 102 S C 0.663 175.204 174.600 -0.098 0.000 1.195 102 S CA -0.715 57.408 58.200 -0.129 0.000 1.050 102 S CB 1.051 64.171 63.200 -0.132 0.000 1.012 102 S HN 0.546 nan 8.310 nan 0.000 0.511 103 L N 2.818 124.006 121.223 -0.058 0.000 2.270 103 L HA 0.177 4.517 4.340 -0.000 0.000 0.210 103 L C 1.221 178.083 176.870 -0.012 0.000 1.104 103 L CA 1.048 55.871 54.840 -0.028 0.000 0.804 103 L CB -1.368 40.688 42.059 -0.005 0.000 0.937 103 L HN 0.744 nan 8.230 nan 0.000 0.450 104 Q N -0.226 119.576 119.800 0.003 0.000 2.304 104 Q HA -0.041 4.299 4.340 -0.000 0.000 0.301 104 Q C 1.044 177.072 176.000 0.045 0.000 1.063 104 Q CA 0.160 55.986 55.803 0.039 0.000 0.947 104 Q CB 0.719 29.523 28.738 0.111 0.000 1.201 104 Q HN 0.116 nan 8.270 nan 0.000 0.389 105 S N 0.674 116.275 115.700 -0.164 0.000 2.475 105 S HA 0.255 4.725 4.470 -0.000 0.000 0.224 105 S C 0.542 174.800 174.600 -0.571 0.000 1.042 105 S CA 0.344 58.311 58.200 -0.389 0.000 0.935 105 S CB 0.668 63.399 63.200 -0.782 0.000 0.801 105 S HN 0.878 nan 8.310 nan 0.000 0.509 106 G N -0.315 108.037 108.800 -0.746 0.000 2.452 106 G HA2 0.398 4.358 3.960 -0.000 0.000 0.224 106 G HA3 0.398 4.358 3.960 -0.000 0.000 0.224 106 G C -2.104 172.495 174.900 -0.501 0.000 1.208 106 G CA -0.846 43.754 45.100 -0.834 0.000 0.946 106 G HN 0.152 nan 8.290 nan 0.000 0.481 107 Y N -0.539 119.720 120.300 -0.068 0.000 2.549 107 Y HA 0.823 5.373 4.550 -0.000 0.000 0.339 107 Y C 0.213 175.714 175.900 -0.664 0.000 1.053 107 Y CA -0.837 57.077 58.100 -0.310 0.000 1.105 107 Y CB 2.293 40.566 38.460 -0.312 0.000 1.258 107 Y HN 0.366 nan 8.280 nan 0.000 0.478 108 L N 2.994 123.242 121.223 -1.625 0.000 2.439 108 L HA 0.495 4.835 4.340 -0.000 0.000 0.270 108 L C -1.683 174.510 176.870 -1.129 0.000 0.972 108 L CA -0.480 53.654 54.840 -1.176 0.000 0.836 108 L CB 1.484 42.921 42.059 -1.037 0.000 1.255 108 L HN 0.496 nan 8.230 nan 0.000 0.404 109 F N 3.816 123.680 119.950 -0.144 0.000 2.449 109 F HA 0.548 5.075 4.527 -0.000 0.000 0.342 109 F C 0.144 176.049 175.800 0.175 0.000 1.127 109 F CA -0.526 57.498 58.000 0.039 0.000 0.975 109 F CB 1.595 40.636 39.000 0.069 0.000 1.146 109 F HN 0.172 nan 8.300 nan 0.000 0.444 110 I N 3.226 123.957 120.570 0.268 0.000 2.336 110 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 110 I C -0.481 175.786 176.117 0.251 0.000 0.991 110 I CA -0.592 60.832 61.300 0.206 0.000 1.227 110 I CB 1.666 39.745 38.000 0.132 0.000 1.366 110 I HN 0.592 nan 8.210 nan 0.000 0.466 111 Q N 5.997 125.943 119.800 0.243 0.000 2.333 111 Q HA 0.418 4.758 4.340 -0.000 0.000 0.265 111 Q C -0.902 175.218 176.000 0.199 0.000 0.989 111 Q CA -0.667 55.282 55.803 0.245 0.000 0.842 111 Q CB 1.748 30.682 28.738 0.328 0.000 1.262 111 Q HN 0.766 nan 8.270 nan 0.000 0.451 112 T N 0.311 114.978 114.554 0.190 0.000 2.824 112 T HA 0.172 4.522 4.350 -0.000 0.000 0.280 112 T C 0.886 175.686 174.700 0.167 0.000 0.995 112 T CA -0.532 61.683 62.100 0.192 0.000 1.009 112 T CB 1.202 70.188 68.868 0.197 0.000 0.955 112 T HN 0.701 nan 8.240 nan 0.000 0.452 113 D N 2.630 123.129 120.400 0.166 0.000 2.116 113 D HA -0.134 4.506 4.640 -0.000 0.000 0.193 113 D C 0.400 176.711 176.300 0.019 0.000 0.998 113 D CA 1.374 55.437 54.000 0.106 0.000 0.836 113 D CB 0.009 40.873 40.800 0.106 0.000 0.951 113 D HN 0.638 nan 8.370 nan 0.000 0.449 114 K N -1.369 118.995 120.400 -0.060 0.000 2.352 114 K HA 0.394 4.714 4.320 -0.000 0.000 0.240 114 K C 0.859 177.257 176.600 -0.337 0.000 1.017 114 K CA -0.100 55.974 56.287 -0.355 0.000 0.851 114 K CB 1.919 34.033 32.500 -0.644 0.000 1.261 114 K HN 0.037 nan 8.250 nan 0.000 0.451 115 T N -2.200 112.134 114.554 -0.366 0.000 3.037 115 T HA 0.257 4.607 4.350 -0.000 0.000 0.251 115 T C 0.730 175.352 174.700 -0.130 0.000 1.079 115 T CA 0.055 62.062 62.100 -0.155 0.000 1.067 115 T CB 0.072 68.849 68.868 -0.151 0.000 0.948 115 T HN 0.480 nan 8.240 nan 0.000 0.496 116 I N 0.369 120.716 120.570 -0.371 0.000 2.722 116 I HA 0.583 4.753 4.170 -0.000 0.000 0.295 116 I C -1.922 174.038 176.117 -0.261 0.000 1.161 116 I CA -1.604 59.582 61.300 -0.190 0.000 1.032 116 I CB 2.092 39.918 38.000 -0.290 0.000 1.244 116 I HN 0.038 nan 8.210 nan 0.000 0.421 117 Y N 3.126 123.606 120.300 0.300 0.000 2.570 117 Y HA 0.565 5.115 4.550 -0.000 0.000 0.345 117 Y C 0.234 176.289 175.900 0.259 0.000 1.014 117 Y CA -0.800 57.456 58.100 0.260 0.000 1.063 117 Y CB 2.153 40.706 38.460 0.155 0.000 1.272 117 Y HN 0.503 nan 8.280 nan 0.000 0.477 118 T N -0.833 113.846 114.554 0.208 0.000 2.867 118 T HA 0.460 4.810 4.350 -0.000 0.000 0.282 118 T C -2.934 171.779 174.700 0.021 0.000 1.000 118 T CA -2.813 59.290 62.100 0.005 0.000 1.042 118 T CB 1.385 70.108 68.868 -0.242 0.000 0.973 118 T HN 0.192 nan 8.240 nan 0.000 0.465 119 P HA 0.260 nan 4.420 nan 0.000 0.256 119 P C 1.055 178.320 177.300 -0.059 0.000 1.189 119 P CA 0.986 64.076 63.100 -0.016 0.000 0.808 119 P CB -0.108 31.599 31.700 0.010 0.000 0.793 120 G N 1.959 110.699 108.800 -0.100 0.000 2.705 120 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.193 120 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.193 120 G C 0.394 175.221 174.900 -0.122 0.000 1.015 120 G CA 0.179 45.212 45.100 -0.112 0.000 0.743 120 G HN 0.639 nan 8.290 nan 0.000 0.476 121 S N 0.183 115.827 115.700 -0.093 0.000 2.661 121 S HA 0.706 5.176 4.470 -0.000 0.000 0.265 121 S C -0.005 174.512 174.600 -0.139 0.000 1.225 121 S CA 0.525 58.685 58.200 -0.067 0.000 0.986 121 S CB 1.679 64.898 63.200 0.032 0.000 1.008 121 S HN 0.487 nan 8.310 nan 0.000 0.565 122 T N 1.084 115.575 114.554 -0.104 0.000 2.823 122 T HA 0.478 4.828 4.350 -0.000 0.000 0.279 122 T C -0.649 173.962 174.700 -0.148 0.000 0.998 122 T CA -0.603 61.396 62.100 -0.168 0.000 0.994 122 T CB 1.302 70.094 68.868 -0.126 0.000 0.960 122 T HN 0.504 nan 8.240 nan 0.000 0.448 123 V N 5.099 124.845 119.914 -0.279 0.000 2.353 123 V HA 0.262 4.382 4.120 -0.000 0.000 0.264 123 V C 0.093 176.165 176.094 -0.036 0.000 1.049 123 V CA -0.519 61.533 62.300 -0.414 0.000 0.896 123 V CB 0.069 31.384 31.823 -0.848 0.000 1.025 123 V HN 0.693 nan 8.190 nan 0.000 0.475 124 L N 7.705 128.952 121.223 0.039 0.000 2.283 124 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 124 L C -0.463 176.465 176.870 0.096 0.000 1.073 124 L CA -0.371 54.484 54.840 0.025 0.000 0.822 124 L CB 0.078 42.148 42.059 0.017 0.000 1.186 124 L HN 0.751 nan 8.230 nan 0.000 0.436 125 Y N 1.639 121.892 120.300 -0.079 0.000 2.492 125 Y HA 0.769 5.319 4.550 -0.000 0.000 0.346 125 Y C -0.816 175.017 175.900 -0.111 0.000 0.997 125 Y CA -1.440 56.613 58.100 -0.078 0.000 1.025 125 Y CB 1.332 39.733 38.460 -0.098 0.000 1.263 125 Y HN 0.368 nan 8.280 nan 0.000 0.454 126 R N 2.542 122.992 120.500 -0.084 0.000 2.803 126 R HA 0.728 5.068 4.340 -0.000 0.000 0.276 126 R C -1.700 174.403 176.300 -0.327 0.000 0.978 126 R CA -1.132 54.789 56.100 -0.298 0.000 0.939 126 R CB 2.389 32.442 30.300 -0.412 0.000 1.179 126 R HN 0.684 nan 8.270 nan 0.000 0.472 127 I N 2.070 122.398 120.570 -0.402 0.000 2.433 127 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 127 I C -0.917 174.934 176.117 -0.444 0.000 1.001 127 I CA -0.278 60.835 61.300 -0.311 0.000 1.119 127 I CB 1.211 39.120 38.000 -0.152 0.000 1.289 127 I HN 0.369 nan 8.210 nan 0.000 0.438 128 F N 3.530 123.490 119.950 0.017 0.000 2.404 128 F HA 0.458 4.985 4.527 -0.000 0.000 0.354 128 F C 0.627 176.441 175.800 0.023 0.000 1.122 128 F CA -0.854 57.172 58.000 0.042 0.000 1.080 128 F CB 1.419 40.483 39.000 0.106 0.000 1.131 128 F HN 0.377 nan 8.300 nan 0.000 0.471 129 T N 1.512 116.175 114.554 0.181 0.000 2.832 129 T HA 0.647 4.997 4.350 -0.000 0.000 0.313 129 T C -0.552 174.285 174.700 0.227 0.000 1.035 129 T CA -0.659 61.544 62.100 0.171 0.000 0.950 129 T CB 0.149 69.099 68.868 0.136 0.000 0.984 129 T HN 0.500 nan 8.240 nan 0.000 0.486 130 V N 1.506 121.572 119.914 0.254 0.000 2.823 130 V HA 0.746 4.866 4.120 -0.000 0.000 0.312 130 V C -0.060 176.139 176.094 0.175 0.000 1.072 130 V CA -1.403 61.020 62.300 0.206 0.000 0.937 130 V CB 1.645 33.592 31.823 0.207 0.000 1.013 130 V HN 0.879 nan 8.190 nan 0.000 0.430 131 N N 1.245 120.012 118.700 0.112 0.000 2.332 131 N HA 0.130 4.870 4.740 -0.000 0.000 0.282 131 N C 0.626 176.216 175.510 0.133 0.000 1.288 131 N CA 0.328 53.401 53.050 0.038 0.000 0.949 131 N CB -0.518 38.009 38.487 0.066 0.000 1.108 131 N HN 0.805 nan 8.380 nan 0.000 0.542 132 H N -1.966 117.202 119.070 0.164 0.000 2.563 132 H HA 0.159 4.715 4.556 -0.000 0.000 0.272 132 H C 0.297 175.809 175.328 0.307 0.000 1.005 132 H CA 0.832 57.066 56.048 0.311 0.000 1.171 132 H CB 0.093 29.937 29.762 0.137 0.000 1.351 132 H HN 0.479 nan 8.280 nan 0.000 0.602 133 K N 0.506 121.077 120.400 0.285 0.000 2.414 133 K HA 0.199 4.519 4.320 -0.000 0.000 0.204 133 K C -0.332 176.357 176.600 0.147 0.000 1.026 133 K CA -0.051 56.355 56.287 0.198 0.000 1.108 133 K CB 1.004 33.586 32.500 0.135 0.000 0.855 133 K HN 0.103 nan 8.250 nan 0.000 0.517 134 L N 1.696 123.007 121.223 0.146 0.000 3.601 134 L HA -0.232 4.108 4.340 -0.000 0.000 0.469 134 L C -0.963 175.934 176.870 0.046 0.000 1.294 134 L CA 0.383 55.257 54.840 0.057 0.000 0.829 134 L CB -1.583 40.426 42.059 -0.085 0.000 1.628 134 L HN 0.259 nan 8.230 nan 0.000 0.868 135 L N -0.400 120.869 121.223 0.078 0.000 2.388 135 L HA 0.632 4.972 4.340 -0.000 0.000 0.264 135 L C -2.161 174.753 176.870 0.073 0.000 0.998 135 L CA -2.036 52.841 54.840 0.061 0.000 0.817 135 L CB 2.141 44.235 42.059 0.059 0.000 1.338 135 L HN -0.204 nan 8.230 nan 0.000 0.414 136 P HA 0.021 nan 4.420 nan 0.000 0.261 136 P C -1.062 176.281 177.300 0.071 0.000 1.183 136 P CA 0.256 63.402 63.100 0.075 0.000 0.761 136 P CB 0.746 32.481 31.700 0.058 0.000 0.785 137 V N 3.631 123.596 119.914 0.085 0.000 2.891 137 V HA 0.671 4.791 4.120 -0.000 0.000 0.304 137 V C -0.219 175.926 176.094 0.085 0.000 1.171 137 V CA -0.615 61.730 62.300 0.074 0.000 0.943 137 V CB 2.249 34.112 31.823 0.066 0.000 1.037 137 V HN 0.612 nan 8.190 nan 0.000 0.427 138 G N 6.147 114.986 108.800 0.064 0.000 2.365 138 G HA2 0.627 4.587 3.960 -0.000 0.000 0.293 138 G HA3 0.627 4.587 3.960 -0.000 0.000 0.293 138 G C -0.356 174.591 174.900 0.080 0.000 1.128 138 G CA -0.327 44.811 45.100 0.063 0.000 0.971 138 G HN 0.626 nan 8.290 nan 0.000 0.422 139 R N 1.155 121.724 120.500 0.116 0.000 2.855 139 R HA 0.526 4.866 4.340 -0.000 0.000 0.266 139 R C -0.689 175.685 176.300 0.124 0.000 1.034 139 R CA -0.746 55.451 56.100 0.162 0.000 0.944 139 R CB 1.396 31.900 30.300 0.340 0.000 1.219 139 R HN 0.405 nan 8.270 nan 0.000 0.474 140 T N 1.075 115.706 114.554 0.130 0.000 2.744 140 T HA 0.456 4.806 4.350 -0.000 0.000 0.291 140 T C -0.199 174.512 174.700 0.019 0.000 0.957 140 T CA -0.438 61.695 62.100 0.056 0.000 1.002 140 T CB 1.052 69.949 68.868 0.049 0.000 0.919 140 T HN 0.124 nan 8.240 nan 0.000 0.468 141 V N 4.994 124.851 119.914 -0.094 0.000 2.540 141 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 141 V C -0.238 175.693 176.094 -0.272 0.000 1.035 141 V CA -1.008 61.151 62.300 -0.234 0.000 0.873 141 V CB 1.931 33.566 31.823 -0.312 0.000 0.992 141 V HN 0.790 nan 8.190 nan 0.000 0.428 142 M N 4.691 124.002 119.600 -0.480 0.000 2.108 142 M HA 0.467 4.947 4.480 -0.000 0.000 0.354 142 M C -0.709 175.308 176.300 -0.471 0.000 1.229 142 M CA -0.344 54.635 55.300 -0.536 0.000 1.081 142 M CB 1.128 33.212 32.600 -0.861 0.000 1.606 142 M HN 0.344 nan 8.290 nan 0.000 0.467 143 V N 5.079 124.858 119.914 -0.225 0.000 2.409 143 V HA 0.458 4.578 4.120 -0.000 0.000 0.291 143 V C -0.328 175.728 176.094 -0.063 0.000 1.020 143 V CA -0.826 61.405 62.300 -0.115 0.000 0.848 143 V CB 1.755 33.559 31.823 -0.031 0.000 0.990 143 V HN 0.753 nan 8.190 nan 0.000 0.430 144 N N 4.102 122.778 118.700 -0.040 0.000 2.319 144 N HA 0.676 5.416 4.740 -0.000 0.000 0.305 144 N C -0.959 174.506 175.510 -0.074 0.000 1.103 144 N CA -0.514 52.519 53.050 -0.029 0.000 0.815 144 N CB 2.515 41.015 38.487 0.021 0.000 1.288 144 N HN 0.528 nan 8.380 nan 0.000 0.493 145 I N 1.033 121.534 120.570 -0.116 0.000 2.420 145 I HA 0.242 4.412 4.170 -0.000 0.000 0.282 145 I C -0.189 175.876 176.117 -0.087 0.000 1.019 145 I CA -0.498 60.695 61.300 -0.178 0.000 1.130 145 I CB 1.162 38.877 38.000 -0.475 0.000 1.262 145 I HN 0.228 nan 8.210 nan 0.000 0.454 146 E N 5.069 125.228 120.200 -0.069 0.000 2.216 146 E HA 0.210 4.560 4.350 -0.000 0.000 0.279 146 E C -0.450 175.947 176.600 -0.338 0.000 0.997 146 E CA -0.826 55.489 56.400 -0.141 0.000 0.817 146 E CB 1.277 30.893 29.700 -0.139 0.000 1.096 146 E HN 0.533 nan 8.360 nan 0.000 0.393 147 N N 2.609 120.912 118.700 -0.661 0.000 2.317 147 N HA 0.047 4.787 4.740 -0.000 0.000 0.245 147 N C -2.128 172.767 175.510 -1.024 0.000 1.294 147 N CA -1.586 50.536 53.050 -1.547 0.000 0.924 147 N CB -0.292 37.512 38.487 -1.138 0.000 1.186 147 N HN 0.065 nan 8.380 nan 0.000 0.495 148 P HA -0.106 nan 4.420 nan 0.000 0.222 148 P C 0.016 177.099 177.300 -0.362 0.000 1.142 148 P CA 1.393 64.148 63.100 -0.575 0.000 0.788 148 P CB 0.059 31.493 31.700 -0.443 0.000 0.767 149 E N -1.375 118.610 120.200 -0.358 0.000 2.444 149 E HA 0.233 4.583 4.350 -0.000 0.000 0.191 149 E C 0.885 177.366 176.600 -0.199 0.000 1.041 149 E CA 0.093 56.358 56.400 -0.226 0.000 0.883 149 E CB -0.348 29.243 29.700 -0.181 0.000 1.024 149 E HN 0.094 nan 8.360 nan 0.000 0.470 150 G N 2.317 110.974 108.800 -0.239 0.000 2.273 150 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.280 150 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.280 150 G C -0.000 174.814 174.900 -0.142 0.000 1.047 150 G CA 0.044 45.037 45.100 -0.178 0.000 0.869 150 G HN 0.204 nan 8.290 nan 0.000 0.502 151 I N 0.180 120.650 120.570 -0.165 0.000 2.410 151 I HA 0.302 4.471 4.170 -0.000 0.000 0.286 151 I C -2.235 173.828 176.117 -0.090 0.000 1.009 151 I CA -3.284 57.951 61.300 -0.107 0.000 1.111 151 I CB 1.572 39.517 38.000 -0.091 0.000 1.262 151 I HN -0.188 nan 8.210 nan 0.000 0.443 152 P HA -0.019 nan 4.420 nan 0.000 0.261 152 P C 1.043 178.348 177.300 0.009 0.000 1.183 152 P CA 0.302 63.387 63.100 -0.025 0.000 0.761 152 P CB 0.640 32.337 31.700 -0.005 0.000 0.785 153 V N 0.921 120.858 119.914 0.038 0.000 3.635 153 V HA 0.315 4.435 4.120 -0.000 0.000 0.266 153 V C 0.471 176.632 176.094 0.112 0.000 1.316 153 V CA 0.655 63.023 62.300 0.113 0.000 1.060 153 V CB -0.361 31.613 31.823 0.252 0.000 0.820 153 V HN 0.384 nan 8.190 nan 0.000 0.447 154 K N 2.013 122.438 120.400 0.042 0.000 2.565 154 K HA 0.459 4.779 4.320 -0.000 0.000 0.251 154 K C -1.654 174.952 176.600 0.010 0.000 0.956 154 K CA -0.455 55.860 56.287 0.047 0.000 0.809 154 K CB 1.852 34.386 32.500 0.056 0.000 1.267 154 K HN 0.383 nan 8.250 nan 0.000 0.438 155 Q N 3.374 123.190 119.800 0.026 0.000 2.323 155 Q HA 0.470 4.810 4.340 -0.000 0.000 0.271 155 Q C -1.483 174.522 176.000 0.009 0.000 1.048 155 Q CA -0.502 55.307 55.803 0.010 0.000 0.792 155 Q CB 2.278 31.026 28.738 0.016 0.000 1.280 155 Q HN 0.590 nan 8.270 nan 0.000 0.441 156 D N 0.963 121.356 120.400 -0.012 0.000 2.714 156 D HA 0.529 5.169 4.640 -0.000 0.000 0.278 156 D C -0.922 175.347 176.300 -0.051 0.000 1.102 156 D CA -0.509 53.480 54.000 -0.017 0.000 1.108 156 D CB 1.688 42.485 40.800 -0.006 0.000 1.444 156 D HN 0.469 nan 8.370 nan 0.000 0.568 157 S N 0.434 116.105 115.700 -0.049 0.000 2.680 157 S HA 0.355 4.825 4.470 -0.000 0.000 0.140 157 S C -1.158 173.411 174.600 -0.052 0.000 1.357 157 S CA -0.468 57.694 58.200 -0.065 0.000 1.201 157 S CB -0.631 62.543 63.200 -0.044 0.000 1.547 157 S HN 0.210 nan 8.310 nan 0.000 0.411 158 L N 1.847 123.032 121.223 -0.065 0.000 2.479 158 L HA 0.683 5.023 4.340 -0.000 0.000 0.248 158 L C 0.753 177.595 176.870 -0.047 0.000 1.205 158 L CA 0.074 54.880 54.840 -0.056 0.000 0.817 158 L CB 0.955 42.972 42.059 -0.070 0.000 1.162 158 L HN 0.495 nan 8.230 nan 0.000 0.486 159 S N -1.633 114.046 115.700 -0.034 0.000 2.677 159 S HA 0.293 4.763 4.470 -0.000 0.000 0.283 159 S C 0.337 174.930 174.600 -0.013 0.000 1.159 159 S CA -0.261 57.930 58.200 -0.014 0.000 1.001 159 S CB 0.969 64.169 63.200 -0.000 0.000 1.032 159 S HN 0.628 nan 8.310 nan 0.000 0.487 160 S N 3.131 118.830 115.700 -0.001 0.000 2.660 160 S HA 0.043 4.513 4.470 -0.000 0.000 0.228 160 S C 0.637 175.246 174.600 0.015 0.000 0.966 160 S CA 0.017 58.219 58.200 0.002 0.000 0.940 160 S CB -0.343 62.869 63.200 0.020 0.000 0.773 160 S HN 0.734 nan 8.310 nan 0.000 0.535 161 Q N 2.505 122.315 119.800 0.016 0.000 2.263 161 Q HA 0.115 4.455 4.340 -0.000 0.000 0.289 161 Q C 0.008 176.014 176.000 0.010 0.000 1.061 161 Q CA 0.671 56.484 55.803 0.018 0.000 0.927 161 Q CB -0.333 28.416 28.738 0.017 0.000 1.154 161 Q HN 0.374 nan 8.270 nan 0.000 0.378 162 N N 2.657 121.364 118.700 0.012 0.000 2.714 162 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 162 N C -0.550 174.962 175.510 0.002 0.000 1.117 162 N CA 1.323 54.377 53.050 0.007 0.000 0.719 162 N CB -1.043 37.447 38.487 0.004 0.000 1.081 162 N HN 0.693 nan 8.380 nan 0.000 0.557 163 Q N -0.031 119.771 119.800 0.003 0.000 2.127 163 Q HA 0.396 4.736 4.340 -0.000 0.000 0.222 163 Q C 0.144 176.148 176.000 0.006 0.000 0.794 163 Q CA -0.322 55.478 55.803 -0.004 0.000 1.010 163 Q CB 0.372 29.099 28.738 -0.018 0.000 1.170 163 Q HN 0.295 nan 8.270 nan 0.000 0.479 164 L N 0.176 121.410 121.223 0.019 0.000 3.717 164 L HA -0.189 4.150 4.340 -0.000 0.000 0.411 164 L C 0.535 177.438 176.870 0.056 0.000 1.233 164 L CA 1.333 56.192 54.840 0.032 0.000 0.917 164 L CB -1.464 40.610 42.059 0.025 0.000 1.902 164 L HN 0.480 nan 8.230 nan 0.000 0.894 165 G N -1.066 107.768 108.800 0.055 0.000 2.305 165 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.287 165 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.287 165 G C 0.095 175.046 174.900 0.086 0.000 1.036 165 G CA 0.290 45.440 45.100 0.084 0.000 0.887 165 G HN 1.191 nan 8.290 nan 0.000 0.505 166 V N 0.617 120.535 119.914 0.007 0.000 2.488 166 V HA 0.472 4.592 4.120 -0.000 0.000 0.293 166 V C 0.209 176.216 176.094 -0.146 0.000 1.027 166 V CA -0.680 61.565 62.300 -0.092 0.000 0.862 166 V CB 1.801 33.608 31.823 -0.026 0.000 1.008 166 V HN 0.299 nan 8.190 nan 0.000 0.428 167 L N 7.052 128.141 121.223 -0.224 0.000 2.321 167 L HA 0.436 4.776 4.340 -0.000 0.000 0.272 167 L C -2.493 174.226 176.870 -0.252 0.000 1.050 167 L CA -1.595 53.128 54.840 -0.195 0.000 0.893 167 L CB 1.678 43.636 42.059 -0.167 0.000 1.272 167 L HN 0.391 nan 8.230 nan 0.000 0.435 168 P HA 0.250 nan 4.420 nan 0.000 0.271 168 P C -0.620 176.498 177.300 -0.303 0.000 1.226 168 P CA 0.306 63.259 63.100 -0.245 0.000 0.765 168 P CB 0.849 32.450 31.700 -0.166 0.000 0.835 169 L N 1.894 122.829 121.223 -0.480 0.000 2.403 169 L HA 0.726 5.066 4.340 -0.000 0.000 0.253 169 L C -0.242 176.205 176.870 -0.705 0.000 1.045 169 L CA -0.670 53.789 54.840 -0.636 0.000 0.845 169 L CB 2.406 43.919 42.059 -0.911 0.000 1.447 169 L HN 0.382 nan 8.230 nan 0.000 0.411 170 S N -0.997 114.429 115.700 -0.456 0.000 2.547 170 S HA 0.622 5.092 4.470 -0.000 0.000 0.270 170 S C -2.146 172.545 174.600 0.152 0.000 1.150 170 S CA -0.748 57.363 58.200 -0.148 0.000 0.850 170 S CB 1.944 65.076 63.200 -0.114 0.000 1.118 170 S HN 0.626 nan 8.310 nan 0.000 0.461 171 W N 2.217 123.511 121.300 -0.009 0.000 2.884 171 W HA 0.537 5.197 4.660 -0.000 0.000 0.336 171 W C -1.903 174.532 176.519 -0.140 0.000 1.038 171 W CA -0.411 56.910 57.345 -0.041 0.000 1.247 171 W CB 1.268 30.723 29.460 -0.009 0.000 1.351 171 W HN 0.685 nan 8.180 nan 0.000 0.446 172 D N 5.855 125.842 120.400 -0.688 0.000 2.348 172 D HA 0.200 4.840 4.640 -0.000 0.000 0.253 172 D C 0.226 175.783 176.300 -1.239 0.000 1.161 172 D CA 0.447 54.014 54.000 -0.721 0.000 0.876 172 D CB 1.137 41.675 40.800 -0.437 0.000 1.160 172 D HN 0.319 nan 8.370 nan 0.000 0.459 173 I N 4.431 124.439 120.570 -0.937 0.000 2.312 173 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 173 I C -2.015 173.819 176.117 -0.471 0.000 1.031 173 I CA -1.927 58.837 61.300 -0.893 0.000 1.293 173 I CB 0.868 38.540 38.000 -0.546 0.000 1.403 173 I HN -0.006 nan 8.210 nan 0.000 0.484 174 P HA 0.011 nan 4.420 nan 0.000 0.268 174 P C 0.603 177.837 177.300 -0.110 0.000 1.208 174 P CA -0.138 62.851 63.100 -0.185 0.000 0.777 174 P CB 0.693 32.335 31.700 -0.096 0.000 0.875 175 E N 1.308 121.461 120.200 -0.077 0.000 2.058 175 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 175 E C 0.621 177.214 176.600 -0.011 0.000 0.997 175 E CA 1.312 57.685 56.400 -0.046 0.000 0.801 175 E CB -0.272 29.405 29.700 -0.039 0.000 0.746 175 E HN 0.466 nan 8.360 nan 0.000 0.450 176 L N 1.935 123.159 121.223 0.003 0.000 2.358 176 L HA 0.221 4.561 4.340 -0.000 0.000 0.274 176 L C -0.003 176.909 176.870 0.069 0.000 1.136 176 L CA -0.419 54.441 54.840 0.033 0.000 0.970 176 L CB 0.760 42.836 42.059 0.029 0.000 1.314 176 L HN -0.156 nan 8.230 nan 0.000 0.427 177 V N 2.655 122.629 119.914 0.100 0.000 3.040 177 V HA 0.466 4.586 4.120 -0.000 0.000 0.312 177 V C -0.524 175.709 176.094 0.233 0.000 1.115 177 V CA -0.809 61.608 62.300 0.195 0.000 0.998 177 V CB 2.749 34.687 31.823 0.191 0.000 1.042 177 V HN 0.605 nan 8.190 nan 0.000 0.433 178 N N 4.541 123.432 118.700 0.318 0.000 2.405 178 N HA 0.353 5.092 4.740 -0.000 0.000 0.260 178 N C -0.372 175.321 175.510 0.304 0.000 1.152 178 N CA -0.117 53.069 53.050 0.226 0.000 0.948 178 N CB 0.748 39.299 38.487 0.107 0.000 1.111 178 N HN 0.567 nan 8.380 nan 0.000 0.485 179 M N 1.428 121.153 119.600 0.208 0.000 2.248 179 M HA 0.383 4.863 4.480 -0.000 0.000 0.337 179 M C 1.268 177.653 176.300 0.141 0.000 1.121 179 M CA 0.519 55.947 55.300 0.213 0.000 1.155 179 M CB 0.423 33.109 32.600 0.144 0.000 1.514 179 M HN 0.749 nan 8.290 nan 0.000 0.452 180 G N 0.888 109.785 108.800 0.161 0.000 2.350 180 G HA2 0.107 4.067 3.960 -0.000 0.000 0.276 180 G HA3 0.107 4.067 3.960 -0.000 0.000 0.276 180 G C -1.740 173.197 174.900 0.061 0.000 1.313 180 G CA -0.946 44.182 45.100 0.047 0.000 0.903 180 G HN 0.429 nan 8.290 nan 0.000 0.490 181 Q N 0.452 120.219 119.800 -0.055 0.000 2.503 181 Q HA 0.319 4.659 4.340 -0.000 0.000 0.227 181 Q C -0.567 175.317 176.000 -0.194 0.000 1.109 181 Q CA -0.221 55.538 55.803 -0.073 0.000 0.922 181 Q CB 0.626 29.325 28.738 -0.066 0.000 1.249 181 Q HN 0.431 nan 8.270 nan 0.000 0.530 182 W N 1.950 122.961 121.300 -0.481 0.000 1.975 182 W HA 0.196 4.856 4.660 -0.000 0.000 0.359 182 W C 0.820 176.975 176.519 -0.606 0.000 1.363 182 W CA 0.213 57.151 57.345 -0.679 0.000 1.376 182 W CB 0.519 29.238 29.460 -1.235 0.000 1.231 182 W HN 0.241 nan 8.180 nan 0.000 0.641 183 K N 0.866 121.163 120.400 -0.172 0.000 2.523 183 K HA 0.493 4.813 4.320 -0.000 0.000 0.257 183 K C -1.665 174.954 176.600 0.031 0.000 0.932 183 K CA -0.611 55.644 56.287 -0.054 0.000 0.812 183 K CB 1.205 33.661 32.500 -0.073 0.000 1.326 183 K HN 0.424 nan 8.250 nan 0.000 0.433 184 I N 4.726 125.331 120.570 0.059 0.000 2.405 184 I HA 0.367 4.537 4.170 -0.000 0.000 0.280 184 I C -0.331 175.782 176.117 -0.007 0.000 1.027 184 I CA -0.741 60.536 61.300 -0.037 0.000 1.161 184 I CB 1.411 39.308 38.000 -0.171 0.000 1.300 184 I HN 0.393 nan 8.210 nan 0.000 0.463 185 R N 4.687 125.187 120.500 0.001 0.000 2.474 185 R HA 0.883 5.223 4.340 -0.000 0.000 0.295 185 R C -0.554 175.789 176.300 0.072 0.000 0.980 185 R CA -0.604 55.532 56.100 0.061 0.000 0.934 185 R CB 2.159 32.502 30.300 0.072 0.000 1.101 185 R HN 0.675 nan 8.270 nan 0.000 0.469 186 A N 2.132 125.033 122.820 0.134 0.000 2.572 186 A HA 0.721 5.041 4.320 -0.000 0.000 0.295 186 A C -1.759 175.954 177.584 0.215 0.000 1.072 186 A CA -0.785 51.286 52.037 0.056 0.000 0.691 186 A CB 1.395 20.379 19.000 -0.027 0.000 1.291 186 A HN 0.789 nan 8.150 nan 0.000 0.404 187 Y N -2.081 118.219 120.300 -0.000 0.000 2.662 187 Y HA 0.674 5.224 4.550 -0.000 0.000 0.334 187 Y C -1.508 174.359 175.900 -0.055 0.000 1.185 187 Y CA -1.616 56.502 58.100 0.030 0.000 1.074 187 Y CB 0.299 38.790 38.460 0.051 0.000 1.330 187 Y HN 0.612 nan 8.280 nan 0.000 0.458 188 Y N 1.825 122.273 120.300 0.246 0.000 2.411 188 Y HA 0.132 4.682 4.550 -0.000 0.000 0.333 188 Y C 1.803 177.814 175.900 0.185 0.000 1.186 188 Y CA 0.421 58.598 58.100 0.128 0.000 1.381 188 Y CB 1.096 39.622 38.460 0.110 0.000 1.273 188 Y HN 0.920 nan 8.280 nan 0.000 0.546 189 E N 1.347 121.687 120.200 0.234 0.000 2.204 189 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 189 E C 0.680 177.405 176.600 0.208 0.000 0.990 189 E CA 1.290 57.804 56.400 0.189 0.000 0.821 189 E CB 0.123 29.887 29.700 0.106 0.000 0.750 189 E HN 0.688 nan 8.360 nan 0.000 0.477 190 N N -0.003 118.819 118.700 0.203 0.000 2.398 190 N HA -0.026 4.714 4.740 -0.000 0.000 0.188 190 N C -0.470 175.119 175.510 0.132 0.000 1.122 190 N CA 0.663 53.796 53.050 0.138 0.000 0.866 190 N CB 1.063 39.602 38.487 0.086 0.000 0.970 190 N HN 0.025 nan 8.380 nan 0.000 0.462 191 S N -1.010 114.811 115.700 0.201 0.000 2.440 191 S HA 0.306 4.775 4.470 -0.000 0.000 0.142 191 S C -2.372 172.310 174.600 0.137 0.000 1.578 191 S CA -0.964 57.323 58.200 0.145 0.000 1.260 191 S CB 1.905 65.188 63.200 0.138 0.000 1.407 191 S HN -0.113 nan 8.310 nan 0.000 0.392 192 P HA -0.127 nan 4.420 nan 0.000 0.230 192 P C 1.275 178.337 177.300 -0.396 0.000 1.158 192 P CA 0.869 63.797 63.100 -0.287 0.000 0.769 192 P CB 0.165 31.776 31.700 -0.148 0.000 0.807 193 Q N -0.034 119.653 119.800 -0.188 0.000 2.250 193 Q HA -0.053 4.286 4.340 -0.000 0.000 0.200 193 Q C 1.182 177.073 176.000 -0.182 0.000 0.941 193 Q CA 0.711 56.410 55.803 -0.173 0.000 0.872 193 Q CB -0.682 27.996 28.738 -0.101 0.000 0.965 193 Q HN 0.326 nan 8.270 nan 0.000 0.480 194 Q N 1.601 121.315 119.800 -0.143 0.000 2.472 194 Q HA 0.389 4.729 4.340 -0.000 0.000 0.227 194 Q C -1.458 174.401 176.000 -0.234 0.000 1.156 194 Q CA -0.243 55.439 55.803 -0.202 0.000 0.924 194 Q CB 0.724 29.386 28.738 -0.127 0.000 1.354 194 Q HN 0.033 nan 8.270 nan 0.000 0.525 195 V N 5.322 125.052 119.914 -0.308 0.000 2.417 195 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 195 V C -0.498 175.429 176.094 -0.277 0.000 1.024 195 V CA -0.606 61.601 62.300 -0.156 0.000 0.861 195 V CB 0.954 32.721 31.823 -0.094 0.000 0.985 195 V HN 0.563 nan 8.190 nan 0.000 0.436 196 F N 1.801 121.771 119.950 0.034 0.000 2.403 196 F HA 0.728 5.255 4.527 -0.000 0.000 0.326 196 F C 0.808 176.618 175.800 0.017 0.000 1.081 196 F CA -0.206 57.796 58.000 0.003 0.000 1.041 196 F CB 1.707 40.678 39.000 -0.047 0.000 1.234 196 F HN 0.399 nan 8.300 nan 0.000 0.503 197 S N -0.174 115.646 115.700 0.200 0.000 2.541 197 S HA 0.716 5.186 4.470 -0.000 0.000 0.271 197 S C -1.118 173.559 174.600 0.129 0.000 1.133 197 S CA -0.853 57.422 58.200 0.124 0.000 0.876 197 S CB 2.147 65.388 63.200 0.068 0.000 1.105 197 S HN 0.536 nan 8.310 nan 0.000 0.470 198 T N 2.294 116.917 114.554 0.115 0.000 2.991 198 T HA 0.386 4.736 4.350 -0.000 0.000 0.303 198 T C -1.042 173.757 174.700 0.163 0.000 1.015 198 T CA -0.704 61.480 62.100 0.140 0.000 1.007 198 T CB 1.388 70.348 68.868 0.153 0.000 1.034 198 T HN 0.547 nan 8.240 nan 0.000 0.446 199 E N 2.154 122.448 120.200 0.156 0.000 2.248 199 E HA 0.679 5.029 4.350 -0.000 0.000 0.272 199 E C -0.944 175.820 176.600 0.273 0.000 1.008 199 E CA -0.851 55.631 56.400 0.137 0.000 0.856 199 E CB 1.388 31.120 29.700 0.052 0.000 1.120 199 E HN 0.605 nan 8.360 nan 0.000 0.397 200 F N -1.147 118.898 119.950 0.158 0.000 2.596 200 F HA 0.409 4.936 4.527 -0.000 0.000 0.311 200 F C -0.691 175.272 175.800 0.270 0.000 1.116 200 F CA -1.159 56.977 58.000 0.225 0.000 0.957 200 F CB 1.103 40.308 39.000 0.340 0.000 1.250 200 F HN 0.281 nan 8.300 nan 0.000 0.444 201 E N 2.744 123.116 120.200 0.287 0.000 2.283 201 E HA 0.562 4.912 4.350 -0.000 0.000 0.278 201 E C -1.523 175.289 176.600 0.353 0.000 1.027 201 E CA -0.751 55.773 56.400 0.207 0.000 0.843 201 E CB 1.696 31.463 29.700 0.113 0.000 1.062 201 E HN 0.678 nan 8.360 nan 0.000 0.401 202 V N 5.661 125.777 119.914 0.335 0.000 2.357 202 V HA 0.440 4.560 4.120 -0.000 0.000 0.284 202 V C -0.217 176.049 176.094 0.287 0.000 1.018 202 V CA -0.428 62.085 62.300 0.355 0.000 0.841 202 V CB 1.271 33.283 31.823 0.315 0.000 0.991 202 V HN 0.666 nan 8.190 nan 0.000 0.437 203 K N 3.454 124.032 120.400 0.296 0.000 2.587 203 K HA 0.428 4.748 4.320 -0.000 0.000 0.276 203 K C -1.119 175.642 176.600 0.267 0.000 0.956 203 K CA -0.727 55.712 56.287 0.253 0.000 0.857 203 K CB 2.351 34.984 32.500 0.222 0.000 1.431 203 K HN 0.662 nan 8.250 nan 0.000 0.420 204 E N 3.108 123.401 120.200 0.154 0.000 2.129 204 E HA 0.178 4.528 4.350 -0.000 0.000 0.283 204 E C -1.040 175.629 176.600 0.115 0.000 1.080 204 E CA -0.187 56.245 56.400 0.053 0.000 0.867 204 E CB 0.290 30.006 29.700 0.026 0.000 1.056 204 E HN 0.417 nan 8.360 nan 0.000 0.404 205 Y N -0.288 120.017 120.300 0.008 0.000 2.728 205 Y HA 0.688 5.238 4.550 -0.000 0.000 0.330 205 Y C -1.131 174.763 175.900 -0.011 0.000 1.234 205 Y CA -1.468 56.629 58.100 -0.005 0.000 1.070 205 Y CB 0.847 39.300 38.460 -0.013 0.000 1.300 205 Y HN 0.118 nan 8.280 nan 0.000 0.467 206 V N -0.141 119.907 119.914 0.225 0.000 2.733 206 V HA 0.567 4.687 4.120 -0.000 0.000 0.306 206 V C -1.159 175.045 176.094 0.183 0.000 1.084 206 V CA -1.148 61.221 62.300 0.116 0.000 0.905 206 V CB 1.348 33.194 31.823 0.039 0.000 1.010 206 V HN 0.774 nan 8.190 nan 0.000 0.424 207 L N 6.275 127.592 121.223 0.156 0.000 2.500 207 L HA 0.428 4.767 4.340 -0.000 0.000 0.272 207 L C -1.661 175.236 176.870 0.044 0.000 1.149 207 L CA -0.266 54.639 54.840 0.109 0.000 0.897 207 L CB -0.699 41.421 42.059 0.102 0.000 1.178 207 L HN 0.598 nan 8.230 nan 0.000 0.473 208 P HA 0.134 nan 4.420 nan 0.000 0.274 208 P C 0.415 177.693 177.300 -0.035 0.000 1.264 208 P CA -0.255 62.781 63.100 -0.107 0.000 0.795 208 P CB 0.514 32.051 31.700 -0.271 0.000 1.064 209 S N -1.451 114.231 115.700 -0.030 0.000 2.502 209 S HA 0.225 4.695 4.470 -0.000 0.000 0.215 209 S C 0.296 175.062 174.600 0.276 0.000 1.009 209 S CA -0.196 58.144 58.200 0.233 0.000 0.908 209 S CB -0.632 62.838 63.200 0.450 0.000 0.801 209 S HN 0.481 nan 8.310 nan 0.000 0.505 210 F N 0.956 120.881 119.950 -0.041 0.000 2.664 210 F HA 0.834 5.361 4.527 -0.000 0.000 0.317 210 F C -0.882 174.843 175.800 -0.125 0.000 1.108 210 F CA -1.319 56.565 58.000 -0.193 0.000 0.957 210 F CB 0.857 39.513 39.000 -0.573 0.000 1.365 210 F HN 0.138 nan 8.300 nan 0.000 0.475 211 E N 0.555 120.802 120.200 0.077 0.000 2.235 211 E HA 0.747 5.097 4.350 -0.000 0.000 0.265 211 E C -1.779 174.887 176.600 0.110 0.000 0.940 211 E CA -1.204 55.207 56.400 0.019 0.000 0.819 211 E CB 2.512 32.223 29.700 0.019 0.000 1.206 211 E HN 0.520 nan 8.360 nan 0.000 0.409 212 V N 2.904 122.848 119.914 0.050 0.000 2.443 212 V HA 0.364 4.484 4.120 -0.000 0.000 0.293 212 V C -0.413 175.696 176.094 0.025 0.000 1.021 212 V CA -0.593 61.744 62.300 0.062 0.000 0.848 212 V CB 1.035 32.902 31.823 0.073 0.000 0.998 212 V HN 0.633 nan 8.190 nan 0.000 0.424 213 I N 5.286 125.867 120.570 0.018 0.000 2.441 213 I HA 0.609 4.779 4.170 -0.000 0.000 0.295 213 I C -0.421 175.701 176.117 0.007 0.000 0.994 213 I CA -1.074 60.233 61.300 0.011 0.000 1.144 213 I CB 2.180 40.185 38.000 0.008 0.000 1.314 213 I HN 0.479 nan 8.210 nan 0.000 0.445 214 V N 1.803 121.723 119.914 0.010 0.000 2.357 214 V HA 0.526 4.646 4.120 -0.000 0.000 0.281 214 V C -0.629 175.477 176.094 0.020 0.000 1.015 214 V CA -0.491 61.816 62.300 0.010 0.000 0.827 214 V CB 0.915 32.741 31.823 0.005 0.000 1.018 214 V HN 0.756 nan 8.190 nan 0.000 0.432 215 E N 5.860 126.071 120.200 0.018 0.000 2.182 215 E HA 0.470 4.820 4.350 -0.000 0.000 0.258 215 E C -2.797 173.814 176.600 0.018 0.000 0.879 215 E CA -1.915 54.496 56.400 0.018 0.000 0.754 215 E CB 2.560 32.267 29.700 0.011 0.000 1.162 215 E HN 0.520 nan 8.360 nan 0.000 0.419 216 P HA -0.067 nan 4.420 nan 0.000 0.270 216 P C 1.080 178.368 177.300 -0.020 0.000 1.223 216 P CA -0.043 63.066 63.100 0.016 0.000 0.785 216 P CB 0.595 32.307 31.700 0.020 0.000 0.923 217 T N -2.077 112.457 114.554 -0.034 0.000 2.803 217 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 217 T C 0.508 175.140 174.700 -0.114 0.000 1.052 217 T CA 1.256 63.321 62.100 -0.059 0.000 1.136 217 T CB -0.323 68.511 68.868 -0.057 0.000 0.864 217 T HN 0.328 nan 8.240 nan 0.000 0.467 218 E N 0.458 120.546 120.200 -0.186 0.000 2.288 218 E HA 0.395 4.745 4.350 -0.000 0.000 0.268 218 E C -0.276 176.161 176.600 -0.271 0.000 0.885 218 E CA -0.663 55.521 56.400 -0.360 0.000 0.767 218 E CB 1.965 31.196 29.700 -0.782 0.000 1.220 218 E HN 0.276 nan 8.360 nan 0.000 0.427 219 K N 1.431 121.735 120.400 -0.160 0.000 2.591 219 K HA 0.112 4.432 4.320 -0.000 0.000 0.197 219 K C -0.039 176.681 176.600 0.200 0.000 1.026 219 K CA 0.359 56.679 56.287 0.055 0.000 1.127 219 K CB -0.415 32.166 32.500 0.135 0.000 0.871 219 K HN 0.300 nan 8.250 nan 0.000 0.507 220 F N -3.265 116.717 119.950 0.055 0.000 3.306 220 F HA 0.446 4.972 4.527 -0.000 0.000 0.326 220 F C -1.670 174.230 175.800 0.166 0.000 1.169 220 F CA -1.803 56.249 58.000 0.086 0.000 0.883 220 F CB 0.882 39.908 39.000 0.043 0.000 1.505 220 F HN -0.194 nan 8.300 nan 0.000 0.504 221 Y N 0.962 121.456 120.300 0.324 0.000 2.362 221 Y HA 0.481 5.031 4.550 -0.000 0.000 0.326 221 Y C -1.930 174.152 175.900 0.304 0.000 1.083 221 Y CA -1.428 56.774 58.100 0.170 0.000 1.073 221 Y CB 1.238 39.724 38.460 0.044 0.000 1.211 221 Y HN 0.757 nan 8.280 nan 0.000 0.433 222 Y N 6.802 126.875 120.300 -0.378 0.000 2.335 222 Y HA 0.287 4.837 4.550 -0.000 0.000 0.331 222 Y C 0.531 176.098 175.900 -0.554 0.000 1.094 222 Y CA -0.271 57.673 58.100 -0.261 0.000 1.253 222 Y CB 0.829 39.236 38.460 -0.089 0.000 1.203 222 Y HN 0.758 nan 8.280 nan 0.000 0.508 223 I N 4.518 124.604 120.570 -0.808 0.000 2.142 223 I HA -0.333 3.837 4.170 -0.000 0.000 0.240 223 I C 1.203 176.945 176.117 -0.625 0.000 1.078 223 I CA 1.666 62.570 61.300 -0.661 0.000 1.343 223 I CB -0.739 36.763 38.000 -0.830 0.000 1.046 223 I HN 0.673 nan 8.210 nan 0.000 0.405 224 Y N -0.185 119.784 120.300 -0.553 0.000 2.477 224 Y HA 0.105 4.655 4.550 -0.000 0.000 0.303 224 Y C 0.886 176.857 175.900 0.118 0.000 1.202 224 Y CA -0.468 57.572 58.100 -0.099 0.000 1.282 224 Y CB -1.029 37.460 38.460 0.049 0.000 1.071 224 Y HN 0.082 nan 8.280 nan 0.000 0.510 225 N N 1.977 120.783 118.700 0.177 0.000 2.421 225 N HA -0.029 4.711 4.740 -0.000 0.000 0.260 225 N C 0.625 176.162 175.510 0.045 0.000 1.173 225 N CA 0.279 53.394 53.050 0.109 0.000 0.960 225 N CB 0.314 38.750 38.487 -0.084 0.000 1.273 225 N HN 0.399 nan 8.380 nan 0.000 0.497 226 E N 2.397 122.642 120.200 0.076 0.000 2.204 226 E HA -0.171 4.178 4.350 -0.000 0.000 0.195 226 E C 0.980 177.607 176.600 0.045 0.000 0.990 226 E CA 0.954 57.390 56.400 0.060 0.000 0.821 226 E CB 0.211 29.944 29.700 0.055 0.000 0.750 226 E HN 0.619 nan 8.360 nan 0.000 0.477 227 K N 0.337 120.757 120.400 0.034 0.000 2.152 227 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 227 K C 1.128 177.753 176.600 0.040 0.000 1.048 227 K CA 0.667 56.968 56.287 0.024 0.000 0.933 227 K CB -0.134 32.370 32.500 0.007 0.000 0.721 227 K HN 0.213 nan 8.250 nan 0.000 0.447 228 G N 1.004 109.859 108.800 0.092 0.000 2.587 228 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.212 228 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.212 228 G C -1.505 173.544 174.900 0.248 0.000 1.327 228 G CA -0.489 44.718 45.100 0.178 0.000 0.898 228 G HN 0.131 nan 8.290 nan 0.000 0.551 229 L N 1.341 122.616 121.223 0.088 0.000 2.277 229 L HA 0.656 4.996 4.340 -0.000 0.000 0.284 229 L C 0.274 177.119 176.870 -0.041 0.000 1.028 229 L CA -0.559 54.296 54.840 0.026 0.000 0.835 229 L CB 0.683 42.624 42.059 -0.197 0.000 1.215 229 L HN 0.569 nan 8.230 nan 0.000 0.425 230 E N 4.105 124.312 120.200 0.012 0.000 2.229 230 E HA 0.442 4.792 4.350 -0.000 0.000 0.283 230 E C -1.032 175.599 176.600 0.051 0.000 1.030 230 E CA -0.529 55.886 56.400 0.026 0.000 0.836 230 E CB 1.904 31.610 29.700 0.010 0.000 1.068 230 E HN 0.386 nan 8.360 nan 0.000 0.401 231 V N 3.206 123.179 119.914 0.098 0.000 2.540 231 V HA 0.232 4.352 4.120 -0.000 0.000 0.302 231 V C 0.063 176.190 176.094 0.055 0.000 1.035 231 V CA -0.772 61.587 62.300 0.098 0.000 0.873 231 V CB 2.089 34.018 31.823 0.176 0.000 0.992 231 V HN 0.679 nan 8.190 nan 0.000 0.428 232 T N 6.030 120.602 114.554 0.029 0.000 2.845 232 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 232 T C -0.171 174.531 174.700 0.003 0.000 0.980 232 T CA -0.175 61.931 62.100 0.011 0.000 1.071 232 T CB 0.610 69.481 68.868 0.004 0.000 0.941 232 T HN 0.323 nan 8.240 nan 0.000 0.487 233 I N 4.041 124.605 120.570 -0.009 0.000 2.412 233 I HA 0.226 4.396 4.170 -0.000 0.000 0.279 233 I C 0.410 176.512 176.117 -0.026 0.000 1.063 233 I CA -0.467 60.822 61.300 -0.020 0.000 1.193 233 I CB 0.218 38.197 38.000 -0.035 0.000 1.370 233 I HN 0.535 nan 8.210 nan 0.000 0.479 234 T N 5.298 119.841 114.554 -0.018 0.000 2.744 234 T HA 0.700 5.050 4.350 -0.000 0.000 0.291 234 T C 0.206 174.892 174.700 -0.024 0.000 0.957 234 T CA -0.458 61.628 62.100 -0.023 0.000 1.002 234 T CB 1.474 70.334 68.868 -0.013 0.000 0.919 234 T HN 0.660 nan 8.240 nan 0.000 0.468 235 A N 4.623 127.410 122.820 -0.054 0.000 2.375 235 A HA 0.787 5.106 4.320 -0.000 0.000 0.295 235 A C -0.205 177.293 177.584 -0.144 0.000 1.066 235 A CA -1.119 50.876 52.037 -0.070 0.000 0.722 235 A CB 1.094 20.032 19.000 -0.104 0.000 1.206 235 A HN 0.910 nan 8.150 nan 0.000 0.435 236 R N 1.341 121.778 120.500 -0.106 0.000 2.771 236 R HA 0.769 5.109 4.340 -0.000 0.000 0.274 236 R C -1.346 174.872 176.300 -0.137 0.000 0.987 236 R CA -0.751 55.268 56.100 -0.135 0.000 0.908 236 R CB 0.845 31.123 30.300 -0.037 0.000 1.213 236 R HN 0.321 nan 8.270 nan 0.000 0.468 237 F N 1.048 120.888 119.950 -0.184 0.000 2.532 237 F HA 0.056 4.583 4.527 -0.000 0.000 0.323 237 F C 1.792 177.398 175.800 -0.323 0.000 1.234 237 F CA -0.131 57.669 58.000 -0.333 0.000 1.323 237 F CB 0.404 38.809 39.000 -0.993 0.000 1.183 237 F HN 0.392 nan 8.300 nan 0.000 0.589 238 L N 0.799 121.998 121.223 -0.041 0.000 2.465 238 L HA -0.175 4.165 4.340 -0.000 0.000 0.224 238 L C 0.870 177.796 176.870 0.092 0.000 1.145 238 L CA 0.715 55.588 54.840 0.055 0.000 0.834 238 L CB -0.675 41.474 42.059 0.151 0.000 0.944 238 L HN 0.689 nan 8.230 nan 0.000 0.451 239 Y N -2.918 117.490 120.300 0.180 0.000 2.607 239 Y HA 0.625 5.175 4.550 -0.000 0.000 0.266 239 Y C 1.414 177.373 175.900 0.099 0.000 1.178 239 Y CA -0.128 58.037 58.100 0.108 0.000 1.226 239 Y CB -0.130 38.370 38.460 0.066 0.000 1.144 239 Y HN 0.017 nan 8.280 nan 0.000 0.528 240 G N 0.117 108.941 108.800 0.039 0.000 2.399 240 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 240 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 240 G C 0.392 175.328 174.900 0.061 0.000 1.096 240 G CA -0.320 44.819 45.100 0.065 0.000 0.650 240 G HN 0.133 nan 8.290 nan 0.000 0.512 241 K N 1.865 122.319 120.400 0.089 0.000 2.455 241 K HA 0.264 4.584 4.320 -0.000 0.000 0.269 241 K C 0.836 177.555 176.600 0.199 0.000 0.972 241 K CA 0.417 56.792 56.287 0.147 0.000 0.938 241 K CB 0.363 32.982 32.500 0.199 0.000 0.931 241 K HN 0.590 nan 8.250 nan 0.000 0.507 242 K N 0.340 120.847 120.400 0.177 0.000 2.090 242 K HA 0.328 4.648 4.320 -0.000 0.000 0.250 242 K C -0.220 176.456 176.600 0.127 0.000 1.004 242 K CA -0.785 55.562 56.287 0.099 0.000 0.919 242 K CB 0.865 33.393 32.500 0.047 0.000 1.045 242 K HN 0.121 nan 8.250 nan 0.000 0.471 243 V N 2.187 122.021 119.914 -0.135 0.000 2.435 243 V HA 0.144 4.264 4.120 -0.000 0.000 0.290 243 V C -0.424 175.561 176.094 -0.182 0.000 1.030 243 V CA -0.661 61.426 62.300 -0.355 0.000 0.881 243 V CB 1.499 32.811 31.823 -0.851 0.000 0.983 243 V HN 0.625 nan 8.190 nan 0.000 0.445 244 E N 3.671 123.829 120.200 -0.069 0.000 2.114 244 E HA 0.693 5.043 4.350 -0.000 0.000 0.266 244 E C 0.238 176.809 176.600 -0.048 0.000 0.896 244 E CA 0.004 56.442 56.400 0.063 0.000 0.750 244 E CB 1.985 31.808 29.700 0.205 0.000 1.121 244 E HN 0.923 nan 8.360 nan 0.000 0.413 245 G N 1.555 110.200 108.800 -0.257 0.000 2.510 245 G HA2 0.375 4.335 3.960 -0.000 0.000 0.277 245 G HA3 0.375 4.335 3.960 -0.000 0.000 0.277 245 G C -0.981 173.663 174.900 -0.427 0.000 1.223 245 G CA -0.407 44.288 45.100 -0.675 0.000 0.887 245 G HN 0.272 nan 8.290 nan 0.000 0.485 246 T N 0.032 114.373 114.554 -0.356 0.000 2.907 246 T HA 0.774 5.124 4.350 -0.000 0.000 0.292 246 T C -0.258 174.247 174.700 -0.325 0.000 1.043 246 T CA 0.267 62.179 62.100 -0.313 0.000 1.003 246 T CB 1.696 70.366 68.868 -0.330 0.000 1.084 246 T HN 1.328 nan 8.240 nan 0.000 0.483 247 A N 1.633 124.209 122.820 -0.406 0.000 2.355 247 A HA 0.871 5.191 4.320 -0.000 0.000 0.324 247 A C -1.430 175.827 177.584 -0.546 0.000 1.117 247 A CA -0.706 51.144 52.037 -0.312 0.000 0.785 247 A CB 0.705 19.607 19.000 -0.165 0.000 1.254 247 A HN 0.738 nan 8.150 nan 0.000 0.453 248 F N 1.670 121.591 119.950 -0.048 0.000 2.430 248 F HA 0.475 5.001 4.527 -0.000 0.000 0.362 248 F C 0.059 175.808 175.800 -0.084 0.000 1.103 248 F CA -0.593 57.375 58.000 -0.053 0.000 1.045 248 F CB 1.940 40.917 39.000 -0.038 0.000 1.276 248 F HN 0.392 nan 8.300 nan 0.000 0.444 249 V N 5.963 125.872 119.914 -0.008 0.000 2.547 249 V HA 0.699 4.819 4.120 -0.000 0.000 0.299 249 V C -0.948 175.014 176.094 -0.221 0.000 1.040 249 V CA -0.678 61.529 62.300 -0.155 0.000 0.913 249 V CB 1.882 33.558 31.823 -0.244 0.000 0.992 249 V HN 0.698 nan 8.190 nan 0.000 0.449 250 I N 5.319 125.685 120.570 -0.340 0.000 2.722 250 I HA 0.560 4.730 4.170 -0.000 0.000 0.295 250 I C -1.429 174.398 176.117 -0.484 0.000 1.161 250 I CA -0.591 60.532 61.300 -0.295 0.000 1.032 250 I CB 2.075 40.025 38.000 -0.084 0.000 1.244 250 I HN 0.654 nan 8.210 nan 0.000 0.421 251 F N 4.100 123.963 119.950 -0.146 0.000 2.452 251 F HA 0.934 5.461 4.527 -0.000 0.000 0.353 251 F C 0.861 176.370 175.800 -0.485 0.000 1.089 251 F CA -0.371 57.449 58.000 -0.301 0.000 1.080 251 F CB 1.663 40.514 39.000 -0.247 0.000 1.399 251 F HN 0.468 nan 8.300 nan 0.000 0.492 252 G N -0.041 108.429 108.800 -0.551 0.000 2.442 252 G HA2 0.471 4.431 3.960 -0.000 0.000 0.296 252 G HA3 0.471 4.431 3.960 -0.000 0.000 0.296 252 G C -2.022 172.553 174.900 -0.541 0.000 1.564 252 G CA -0.901 43.789 45.100 -0.683 0.000 0.828 252 G HN 0.518 nan 8.290 nan 0.000 0.571 253 I N 0.620 121.131 120.570 -0.097 0.000 2.385 253 I HA 0.399 4.569 4.170 -0.000 0.000 0.294 253 I C 0.232 176.485 176.117 0.226 0.000 0.988 253 I CA -0.593 60.730 61.300 0.038 0.000 1.265 253 I CB 2.023 40.023 38.000 0.000 0.000 1.388 253 I HN 0.472 nan 8.210 nan 0.000 0.480 254 Q N 5.269 125.203 119.800 0.223 0.000 2.394 254 Q HA 0.195 4.535 4.340 -0.000 0.000 0.259 254 Q C -0.854 175.201 176.000 0.093 0.000 1.021 254 Q CA -0.614 55.299 55.803 0.184 0.000 0.805 254 Q CB 1.310 30.161 28.738 0.188 0.000 1.226 254 Q HN 0.591 nan 8.270 nan 0.000 0.476 255 D N 2.228 122.668 120.400 0.067 0.000 2.376 255 D HA 0.224 4.864 4.640 -0.000 0.000 0.268 255 D C -0.010 176.310 176.300 0.032 0.000 1.252 255 D CA -0.018 54.007 54.000 0.042 0.000 1.041 255 D CB 0.575 41.395 40.800 0.033 0.000 1.109 255 D HN 0.656 nan 8.370 nan 0.000 0.552 256 G N 0.565 109.380 108.800 0.024 0.000 2.428 256 G HA2 0.165 4.125 3.960 -0.000 0.000 0.290 256 G HA3 0.165 4.125 3.960 -0.000 0.000 0.290 256 G C -0.146 174.761 174.900 0.011 0.000 0.996 256 G CA 0.106 45.217 45.100 0.019 0.000 1.406 256 G HN 0.574 nan 8.290 nan 0.000 0.445 257 E N -0.707 119.498 120.200 0.007 0.000 2.440 257 E HA -0.224 4.126 4.350 -0.000 0.000 0.246 257 E C 0.292 176.887 176.600 -0.009 0.000 1.165 257 E CA 1.517 57.914 56.400 -0.005 0.000 0.726 257 E CB -1.277 28.420 29.700 -0.005 0.000 1.271 257 E HN 0.850 nan 8.360 nan 0.000 0.397 258 Q N -0.315 119.483 119.800 -0.002 0.000 2.377 258 Q HA 0.543 4.883 4.340 -0.000 0.000 0.279 258 Q C -1.195 174.813 176.000 0.013 0.000 1.049 258 Q CA -0.885 54.919 55.803 0.001 0.000 0.825 258 Q CB 1.387 30.132 28.738 0.012 0.000 1.401 258 Q HN 0.138 nan 8.270 nan 0.000 0.404 259 R N 3.051 123.557 120.500 0.010 0.000 2.476 259 R HA 0.505 4.845 4.340 -0.000 0.000 0.305 259 R C -0.815 175.550 176.300 0.109 0.000 0.965 259 R CA -0.754 55.379 56.100 0.056 0.000 0.867 259 R CB 1.350 31.591 30.300 -0.098 0.000 1.176 259 R HN 0.504 nan 8.270 nan 0.000 0.447 260 I N 2.444 123.113 120.570 0.166 0.000 2.388 260 I HA 0.122 4.292 4.170 -0.000 0.000 0.281 260 I C 0.714 176.915 176.117 0.140 0.000 1.046 260 I CA -0.278 61.092 61.300 0.117 0.000 1.187 260 I CB 0.827 38.868 38.000 0.069 0.000 1.351 260 I HN 0.523 nan 8.210 nan 0.000 0.472 261 S N 6.546 122.338 115.700 0.154 0.000 2.566 261 S HA 0.317 4.787 4.470 -0.000 0.000 0.280 261 S C 0.044 174.674 174.600 0.049 0.000 1.343 261 S CA -0.050 58.230 58.200 0.133 0.000 1.036 261 S CB 0.391 63.666 63.200 0.126 0.000 0.866 261 S HN 0.466 nan 8.310 nan 0.000 0.526 262 L N 6.178 127.410 121.223 0.015 0.000 2.387 262 L HA 0.318 4.657 4.340 -0.000 0.000 0.259 262 L C -1.839 175.047 176.870 0.026 0.000 1.050 262 L CA -1.756 53.090 54.840 0.010 0.000 0.922 262 L CB 1.332 43.385 42.059 -0.010 0.000 1.280 262 L HN 0.523 nan 8.230 nan 0.000 0.449 263 P HA -0.191 nan 4.420 nan 0.000 0.219 263 P C 1.298 178.617 177.300 0.032 0.000 1.146 263 P CA 1.010 64.127 63.100 0.029 0.000 0.808 263 P CB 0.390 32.104 31.700 0.023 0.000 0.779 264 E N 0.200 120.417 120.200 0.027 0.000 2.208 264 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 264 E C 0.537 177.163 176.600 0.044 0.000 0.988 264 E CA 0.699 57.115 56.400 0.027 0.000 0.828 264 E CB -0.131 29.577 29.700 0.013 0.000 0.763 264 E HN 0.189 nan 8.360 nan 0.000 0.478 265 S N 1.041 116.782 115.700 0.068 0.000 3.149 265 S HA 0.224 4.694 4.470 -0.000 0.000 0.228 265 S C -0.251 174.448 174.600 0.164 0.000 1.393 265 S CA -0.665 57.621 58.200 0.143 0.000 1.224 265 S CB 0.060 63.391 63.200 0.217 0.000 1.112 265 S HN 0.153 nan 8.310 nan 0.000 0.502 266 L N 1.806 123.085 121.223 0.095 0.000 2.313 266 L HA 0.711 5.051 4.340 -0.000 0.000 0.283 266 L C -0.832 176.080 176.870 0.069 0.000 1.013 266 L CA -0.073 54.809 54.840 0.069 0.000 0.816 266 L CB 1.146 43.241 42.059 0.060 0.000 1.236 266 L HN 0.131 nan 8.230 nan 0.000 0.419 267 K N 4.221 124.652 120.400 0.052 0.000 2.444 267 K HA 0.522 4.842 4.320 -0.000 0.000 0.252 267 K C -1.080 175.511 176.600 -0.016 0.000 0.993 267 K CA -0.719 55.586 56.287 0.030 0.000 0.847 267 K CB 2.319 34.844 32.500 0.042 0.000 1.340 267 K HN 0.560 nan 8.250 nan 0.000 0.446 268 R N 2.376 122.838 120.500 -0.063 0.000 2.547 268 R HA 0.313 4.653 4.340 -0.000 0.000 0.280 268 R C -0.415 175.775 176.300 -0.183 0.000 1.630 268 R CA -0.293 55.690 56.100 -0.195 0.000 1.470 268 R CB -0.087 30.111 30.300 -0.170 0.000 1.178 268 R HN 0.697 nan 8.270 nan 0.000 0.591 269 I N 0.563 121.026 120.570 -0.179 0.000 2.342 269 I HA 0.562 4.732 4.170 -0.000 0.000 0.291 269 I C -2.418 173.604 176.117 -0.158 0.000 1.010 269 I CA -2.803 58.420 61.300 -0.128 0.000 1.308 269 I CB 1.227 39.179 38.000 -0.081 0.000 1.400 269 I HN 0.222 nan 8.210 nan 0.000 0.488 270 P HA 0.170 nan 4.420 nan 0.000 0.268 270 P C -0.569 176.682 177.300 -0.082 0.000 1.204 270 P CA -0.077 62.965 63.100 -0.097 0.000 0.768 270 P CB 0.525 32.200 31.700 -0.042 0.000 0.842 271 I N 3.609 124.121 120.570 -0.097 0.000 2.276 271 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 271 I C 0.713 176.807 176.117 -0.039 0.000 1.109 271 I CA -0.069 61.178 61.300 -0.087 0.000 1.229 271 I CB -0.639 37.278 38.000 -0.139 0.000 1.452 271 I HN 0.308 nan 8.210 nan 0.000 0.497 272 E N 4.356 124.544 120.200 -0.019 0.000 2.204 272 E HA 0.168 4.518 4.350 -0.000 0.000 0.276 272 E C -0.027 176.569 176.600 -0.007 0.000 0.974 272 E CA -0.521 55.881 56.400 0.004 0.000 0.815 272 E CB 1.314 31.017 29.700 0.005 0.000 1.119 272 E HN 0.352 nan 8.360 nan 0.000 0.393 273 D N 1.920 122.322 120.400 0.003 0.000 2.870 273 D HA -0.172 4.468 4.640 -0.000 0.000 0.228 273 D C 0.439 176.734 176.300 -0.009 0.000 1.147 273 D CA 1.526 55.527 54.000 0.003 0.000 0.757 273 D CB -1.206 39.594 40.800 0.001 0.000 1.091 273 D HN 0.942 nan 8.370 nan 0.000 0.429 274 G N -1.045 107.738 108.800 -0.029 0.000 2.246 274 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.273 274 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.273 274 G C 0.050 174.916 174.900 -0.056 0.000 1.055 274 G CA 1.301 46.366 45.100 -0.059 0.000 0.851 274 G HN 1.307 nan 8.290 nan 0.000 0.500 275 S N -2.050 113.619 115.700 -0.053 0.000 2.597 275 S HA 0.847 5.317 4.470 -0.000 0.000 0.274 275 S C 0.009 174.583 174.600 -0.044 0.000 1.132 275 S CA 0.604 58.778 58.200 -0.043 0.000 0.835 275 S CB 1.292 64.475 63.200 -0.027 0.000 1.092 275 S HN 1.894 nan 8.310 nan 0.000 0.457 276 G N 0.742 109.519 108.800 -0.039 0.000 2.788 276 G HA2 0.690 4.650 3.960 -0.000 0.000 0.293 276 G HA3 0.690 4.650 3.960 -0.000 0.000 0.293 276 G C -1.889 172.998 174.900 -0.023 0.000 1.392 276 G CA -0.469 44.608 45.100 -0.038 0.000 0.810 276 G HN 0.673 nan 8.290 nan 0.000 0.508 277 E N -1.055 119.135 120.200 -0.018 0.000 2.307 277 E HA 0.527 4.877 4.350 -0.000 0.000 0.280 277 E C -1.797 174.810 176.600 0.012 0.000 0.900 277 E CA -0.569 55.831 56.400 -0.001 0.000 0.790 277 E CB 2.051 31.751 29.700 -0.001 0.000 1.261 277 E HN 0.764 nan 8.360 nan 0.000 0.405 278 V N 4.754 124.692 119.914 0.041 0.000 2.789 278 V HA 0.790 4.910 4.120 -0.000 0.000 0.311 278 V C -1.474 174.693 176.094 0.120 0.000 1.073 278 V CA -0.574 61.775 62.300 0.081 0.000 0.921 278 V CB 2.034 33.917 31.823 0.100 0.000 1.009 278 V HN 0.559 nan 8.190 nan 0.000 0.426 279 V N 6.774 126.747 119.914 0.099 0.000 2.588 279 V HA 0.473 4.593 4.120 -0.000 0.000 0.304 279 V C -0.548 175.528 176.094 -0.031 0.000 1.042 279 V CA -0.682 61.640 62.300 0.037 0.000 0.877 279 V CB 1.639 33.468 31.823 0.010 0.000 0.996 279 V HN 0.782 nan 8.190 nan 0.000 0.425 280 L N 5.896 126.976 121.223 -0.239 0.000 2.282 280 L HA 0.489 4.829 4.340 -0.000 0.000 0.287 280 L C 0.774 177.485 176.870 -0.264 0.000 1.075 280 L CA 0.158 54.704 54.840 -0.490 0.000 0.839 280 L CB 0.914 42.216 42.059 -1.262 0.000 1.219 280 L HN 0.829 nan 8.230 nan 0.000 0.434 281 S N 3.752 119.362 115.700 -0.150 0.000 2.552 281 S HA 0.056 4.526 4.470 -0.000 0.000 0.289 281 S C 1.247 175.796 174.600 -0.085 0.000 1.304 281 S CA -0.090 58.062 58.200 -0.079 0.000 1.063 281 S CB 0.468 63.641 63.200 -0.045 0.000 0.848 281 S HN 0.829 nan 8.310 nan 0.000 0.499 282 R N 1.317 121.803 120.500 -0.024 0.000 2.193 282 R HA -0.127 4.213 4.340 -0.000 0.000 0.229 282 R C 1.963 178.250 176.300 -0.021 0.000 1.110 282 R CA 1.426 57.530 56.100 0.006 0.000 0.988 282 R CB -0.219 30.119 30.300 0.064 0.000 0.871 282 R HN 0.719 nan 8.270 nan 0.000 0.458 283 K N 0.196 120.582 120.400 -0.023 0.000 2.002 283 K HA -0.081 4.239 4.320 -0.000 0.000 0.209 283 K C 1.747 178.326 176.600 -0.036 0.000 1.048 283 K CA 1.847 58.121 56.287 -0.021 0.000 0.930 283 K CB -0.463 32.029 32.500 -0.013 0.000 0.714 283 K HN 0.042 nan 8.250 nan 0.000 0.438 284 V N 1.256 121.139 119.914 -0.050 0.000 2.407 284 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 284 V C 2.304 178.352 176.094 -0.077 0.000 1.055 284 V CA 1.640 63.907 62.300 -0.055 0.000 1.049 284 V CB -0.593 31.196 31.823 -0.057 0.000 0.662 284 V HN 0.346 nan 8.190 nan 0.000 0.455 285 L N -0.176 120.977 121.223 -0.115 0.000 2.042 285 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 285 L C 2.156 178.971 176.870 -0.091 0.000 1.076 285 L CA 1.989 56.744 54.840 -0.143 0.000 0.749 285 L CB -0.522 41.413 42.059 -0.205 0.000 0.893 285 L HN 0.225 nan 8.230 nan 0.000 0.432 286 L N -0.989 120.196 121.223 -0.063 0.000 2.217 286 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 286 L C 1.962 178.812 176.870 -0.034 0.000 1.107 286 L CA 0.732 55.546 54.840 -0.044 0.000 0.783 286 L CB -0.731 41.309 42.059 -0.031 0.000 0.919 286 L HN 0.239 nan 8.230 nan 0.000 0.442 287 D N 0.280 120.661 120.400 -0.033 0.000 2.224 287 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 287 D C 2.103 178.390 176.300 -0.021 0.000 0.965 287 D CA 1.174 55.160 54.000 -0.022 0.000 0.852 287 D CB -0.225 40.564 40.800 -0.018 0.000 0.947 287 D HN 0.285 nan 8.370 nan 0.000 0.494 288 G N 1.240 110.022 108.800 -0.031 0.000 2.511 288 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 288 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 288 G C 0.890 175.780 174.900 -0.017 0.000 1.218 288 G CA 1.350 46.435 45.100 -0.025 0.000 0.788 288 G HN 0.313 nan 8.290 nan 0.000 0.560 289 V N -1.889 118.012 119.914 -0.022 0.000 3.051 289 V HA 0.352 4.471 4.120 -0.000 0.000 0.306 289 V C 0.560 176.647 176.094 -0.011 0.000 1.083 289 V CA -0.457 61.835 62.300 -0.014 0.000 1.104 289 V CB 1.449 33.261 31.823 -0.018 0.000 1.027 289 V HN 0.270 nan 8.190 nan 0.000 0.483 290 Q N 1.444 121.240 119.800 -0.006 0.000 2.228 290 Q HA 0.256 4.596 4.340 -0.000 0.000 0.211 290 Q C -0.123 175.874 176.000 -0.005 0.000 0.890 290 Q CA 0.105 55.905 55.803 -0.005 0.000 0.953 290 Q CB -0.361 28.376 28.738 -0.001 0.000 1.053 290 Q HN 0.834 nan 8.270 nan 0.000 0.471 291 N N 1.349 120.044 118.700 -0.009 0.000 2.476 291 N HA 0.204 4.944 4.740 -0.000 0.000 0.257 291 N C -1.971 173.531 175.510 -0.012 0.000 0.970 291 N CA -1.853 51.192 53.050 -0.009 0.000 0.938 291 N CB 1.809 40.290 38.487 -0.010 0.000 1.144 291 N HN -0.178 nan 8.380 nan 0.000 0.500 292 P HA -0.103 nan 4.420 nan 0.000 0.215 292 P C 0.063 177.356 177.300 -0.011 0.000 1.157 292 P CA 0.969 64.064 63.100 -0.007 0.000 0.874 292 P CB 0.256 31.955 31.700 -0.002 0.000 0.790 293 R N -0.086 120.407 120.500 -0.010 0.000 2.489 293 R HA 0.284 4.624 4.340 -0.000 0.000 0.287 293 R C 1.002 177.280 176.300 -0.036 0.000 1.053 293 R CA 0.235 56.326 56.100 -0.015 0.000 1.036 293 R CB 0.308 30.605 30.300 -0.007 0.000 0.966 293 R HN 0.028 nan 8.270 nan 0.000 0.432 294 A N 3.786 126.570 122.820 -0.061 0.000 2.132 294 A HA -0.007 4.313 4.320 -0.000 0.000 0.213 294 A C 1.250 178.747 177.584 -0.145 0.000 1.154 294 A CA 0.483 52.452 52.037 -0.112 0.000 0.753 294 A CB 0.090 18.990 19.000 -0.168 0.000 0.826 294 A HN 0.824 nan 8.150 nan 0.000 0.469 295 E N 0.748 120.884 120.200 -0.108 0.000 2.478 295 E HA -0.056 4.294 4.350 -0.000 0.000 0.198 295 E C 0.692 177.260 176.600 -0.052 0.000 1.046 295 E CA 0.612 56.959 56.400 -0.088 0.000 0.870 295 E CB -0.038 29.649 29.700 -0.021 0.000 0.818 295 E HN 0.516 nan 8.360 nan 0.000 0.527 296 D N -0.410 119.963 120.400 -0.044 0.000 2.333 296 D HA 0.011 4.651 4.640 -0.000 0.000 0.208 296 D C 1.377 177.662 176.300 -0.026 0.000 0.984 296 D CA 0.382 54.366 54.000 -0.026 0.000 0.873 296 D CB 0.309 41.098 40.800 -0.018 0.000 0.935 296 D HN 0.263 nan 8.370 nan 0.000 0.521 297 L N 0.800 121.998 121.223 -0.042 0.000 2.554 297 L HA 0.041 4.381 4.340 -0.000 0.000 0.226 297 L C 0.569 177.427 176.870 -0.021 0.000 1.137 297 L CA 0.028 54.849 54.840 -0.032 0.000 0.863 297 L CB 0.203 42.236 42.059 -0.044 0.000 0.985 297 L HN -0.233 nan 8.230 nan 0.000 0.451 298 V N 1.408 121.301 119.914 -0.034 0.000 2.425 298 V HA 0.245 4.365 4.120 -0.000 0.000 0.276 298 V C 1.206 177.302 176.094 0.004 0.000 1.017 298 V CA 1.171 63.459 62.300 -0.021 0.000 1.062 298 V CB 0.071 31.874 31.823 -0.033 0.000 0.997 298 V HN 0.627 nan 8.190 nan 0.000 0.476 299 G N 4.542 113.354 108.800 0.021 0.000 2.481 299 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.200 299 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.200 299 G C 0.410 175.333 174.900 0.038 0.000 1.012 299 G CA -0.171 44.947 45.100 0.030 0.000 0.676 299 G HN 0.558 nan 8.290 nan 0.000 0.488 300 K N 0.885 121.305 120.400 0.033 0.000 2.332 300 K HA 0.616 4.935 4.320 -0.000 0.000 0.246 300 K C 0.639 177.271 176.600 0.054 0.000 1.066 300 K CA 0.485 56.796 56.287 0.039 0.000 0.898 300 K CB 0.625 33.142 32.500 0.027 0.000 1.192 300 K HN 0.616 nan 8.250 nan 0.000 0.509 301 S N -0.751 114.986 115.700 0.062 0.000 2.651 301 S HA 0.624 5.094 4.470 -0.000 0.000 0.279 301 S C -0.990 173.655 174.600 0.075 0.000 1.148 301 S CA -1.094 57.152 58.200 0.077 0.000 0.837 301 S CB 0.919 64.177 63.200 0.097 0.000 1.138 301 S HN 0.378 nan 8.310 nan 0.000 0.478 302 L N 1.236 122.499 121.223 0.068 0.000 2.341 302 L HA 0.707 5.047 4.340 -0.000 0.000 0.267 302 L C -1.422 175.531 176.870 0.139 0.000 1.009 302 L CA -1.122 53.734 54.840 0.027 0.000 0.819 302 L CB 1.910 43.915 42.059 -0.091 0.000 1.323 302 L HN 0.950 nan 8.230 nan 0.000 0.425 303 Y N -0.288 120.053 120.300 0.068 0.000 2.442 303 Y HA 0.784 5.334 4.550 -0.000 0.000 0.344 303 Y C -1.142 174.793 175.900 0.059 0.000 0.976 303 Y CA -1.279 56.855 58.100 0.056 0.000 1.040 303 Y CB 1.233 39.709 38.460 0.028 0.000 1.228 303 Y HN 0.136 nan 8.280 nan 0.000 0.451 304 V N 2.838 122.819 119.914 0.112 0.000 2.483 304 V HA 0.543 4.663 4.120 -0.000 0.000 0.295 304 V C -0.377 175.701 176.094 -0.026 0.000 1.035 304 V CA -0.600 61.650 62.300 -0.084 0.000 0.896 304 V CB 1.618 33.387 31.823 -0.090 0.000 0.986 304 V HN 0.860 nan 8.190 nan 0.000 0.447 305 S N 3.628 119.258 115.700 -0.116 0.000 2.653 305 S HA 0.741 5.210 4.470 -0.000 0.000 0.272 305 S C -0.177 174.376 174.600 -0.078 0.000 1.221 305 S CA -0.166 58.013 58.200 -0.034 0.000 1.149 305 S CB 0.463 63.688 63.200 0.041 0.000 1.029 305 S HN 1.067 nan 8.310 nan 0.000 0.481 306 A N 3.214 126.001 122.820 -0.055 0.000 2.269 306 A HA 0.886 5.206 4.320 -0.000 0.000 0.319 306 A C -0.124 177.478 177.584 0.030 0.000 1.110 306 A CA -0.579 51.440 52.037 -0.031 0.000 0.847 306 A CB 1.078 20.052 19.000 -0.043 0.000 1.161 306 A HN 0.640 nan 8.150 nan 0.000 0.497 307 T N 0.791 115.396 114.554 0.086 0.000 3.335 307 T HA 0.399 4.749 4.350 -0.000 0.000 0.321 307 T C -1.029 173.790 174.700 0.198 0.000 0.960 307 T CA -0.317 61.867 62.100 0.139 0.000 1.034 307 T CB 0.921 69.881 68.868 0.153 0.000 1.040 307 T HN 0.499 nan 8.240 nan 0.000 0.454 308 V N 5.068 125.087 119.914 0.175 0.000 2.439 308 V HA 0.585 4.705 4.120 -0.000 0.000 0.282 308 V C -0.081 176.157 176.094 0.240 0.000 1.039 308 V CA -0.610 61.787 62.300 0.162 0.000 0.913 308 V CB 1.269 33.188 31.823 0.160 0.000 0.983 308 V HN 0.763 nan 8.190 nan 0.000 0.460 309 I N 5.238 125.881 120.570 0.122 0.000 2.499 309 I HA 0.380 4.550 4.170 -0.000 0.000 0.288 309 I C -0.130 175.953 176.117 -0.057 0.000 1.048 309 I CA -0.525 60.850 61.300 0.125 0.000 1.062 309 I CB 1.893 40.005 38.000 0.187 0.000 1.238 309 I HN 0.413 nan 8.210 nan 0.000 0.426 310 L N 4.547 125.752 121.223 -0.030 0.000 2.473 310 L HA 0.054 4.394 4.340 -0.000 0.000 0.265 310 L C 1.114 177.916 176.870 -0.113 0.000 1.243 310 L CA 0.069 54.841 54.840 -0.112 0.000 0.822 310 L CB 0.105 42.191 42.059 0.045 0.000 1.101 310 L HN 0.635 nan 8.230 nan 0.000 0.507 311 H N -1.224 117.865 119.070 0.032 0.000 2.547 311 H HA -0.068 4.488 4.556 -0.000 0.000 0.272 311 H C 1.970 177.330 175.328 0.054 0.000 0.989 311 H CA 0.986 57.056 56.048 0.038 0.000 1.214 311 H CB 0.225 30.002 29.762 0.025 0.000 1.389 311 H HN 0.668 nan 8.280 nan 0.000 0.577 312 S N -0.980 114.817 115.700 0.162 0.000 2.503 312 S HA 0.107 4.577 4.470 -0.000 0.000 0.217 312 S C 1.794 176.457 174.600 0.105 0.000 0.999 312 S CA 0.217 58.493 58.200 0.128 0.000 0.914 312 S CB 0.085 63.363 63.200 0.129 0.000 0.782 312 S HN 0.535 nan 8.310 nan 0.000 0.520 313 G N 0.906 109.767 108.800 0.101 0.000 2.295 313 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.287 313 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.287 313 G C 0.508 175.463 174.900 0.092 0.000 1.055 313 G CA 0.466 45.619 45.100 0.089 0.000 0.922 313 G HN 0.589 nan 8.290 nan 0.000 0.503 314 S N -1.156 114.615 115.700 0.117 0.000 2.506 314 S HA 0.284 4.754 4.470 -0.000 0.000 0.219 314 S C 0.495 175.170 174.600 0.126 0.000 1.031 314 S CA 0.663 58.932 58.200 0.115 0.000 0.911 314 S CB 0.694 63.971 63.200 0.129 0.000 0.812 314 S HN 0.678 nan 8.310 nan 0.000 0.497 315 D N 0.112 120.613 120.400 0.167 0.000 2.581 315 D HA 0.582 5.222 4.640 -0.000 0.000 0.232 315 D C -1.211 175.188 176.300 0.165 0.000 1.143 315 D CA -0.438 53.656 54.000 0.157 0.000 0.881 315 D CB 1.616 42.556 40.800 0.234 0.000 1.500 315 D HN 0.019 nan 8.370 nan 0.000 0.458 316 M N 3.010 122.638 119.600 0.047 0.000 2.265 316 M HA 0.372 4.852 4.480 -0.000 0.000 0.251 316 M C -2.166 174.093 176.300 -0.068 0.000 1.005 316 M CA -0.524 54.810 55.300 0.057 0.000 0.998 316 M CB 1.230 33.858 32.600 0.048 0.000 2.070 316 M HN 0.132 nan 8.290 nan 0.000 0.476 317 V N 4.336 124.188 119.914 -0.103 0.000 2.547 317 V HA 0.498 4.618 4.120 -0.000 0.000 0.299 317 V C -0.471 175.598 176.094 -0.041 0.000 1.040 317 V CA -0.481 61.710 62.300 -0.181 0.000 0.913 317 V CB 1.970 33.544 31.823 -0.415 0.000 0.992 317 V HN 0.807 nan 8.190 nan 0.000 0.449 318 Q N 2.666 122.436 119.800 -0.049 0.000 2.333 318 Q HA 0.756 5.096 4.340 -0.000 0.000 0.268 318 Q C -0.403 175.585 176.000 -0.020 0.000 1.007 318 Q CA -0.354 55.439 55.803 -0.017 0.000 0.810 318 Q CB 2.295 31.022 28.738 -0.020 0.000 1.264 318 Q HN 0.913 nan 8.270 nan 0.000 0.452 319 A N 2.699 125.516 122.820 -0.004 0.000 2.309 319 A HA 0.819 5.139 4.320 -0.000 0.000 0.317 319 A C -0.926 176.661 177.584 0.004 0.000 1.134 319 A CA -0.460 51.575 52.037 -0.003 0.000 0.866 319 A CB 1.750 20.752 19.000 0.003 0.000 1.329 319 A HN 0.741 nan 8.150 nan 0.000 0.477 320 E N -0.795 119.412 120.200 0.012 0.000 2.381 320 E HA 0.465 4.815 4.350 -0.000 0.000 0.286 320 E C -1.667 174.958 176.600 0.042 0.000 0.960 320 E CA -0.628 55.791 56.400 0.030 0.000 0.793 320 E CB 1.495 31.212 29.700 0.030 0.000 1.225 320 E HN 0.519 nan 8.360 nan 0.000 0.420 321 R N 2.560 123.100 120.500 0.065 0.000 2.415 321 R HA 0.339 4.679 4.340 -0.000 0.000 0.292 321 R C -1.412 174.959 176.300 0.118 0.000 1.295 321 R CA -0.295 55.850 56.100 0.075 0.000 1.137 321 R CB 0.746 31.084 30.300 0.063 0.000 1.135 321 R HN 0.465 nan 8.270 nan 0.000 0.560 322 S N 1.447 117.213 115.700 0.109 0.000 2.654 322 S HA 0.730 5.200 4.470 -0.000 0.000 0.283 322 S C 0.481 175.146 174.600 0.107 0.000 1.180 322 S CA -0.159 58.124 58.200 0.138 0.000 1.021 322 S CB 1.708 64.951 63.200 0.072 0.000 1.018 322 S HN 1.136 nan 8.310 nan 0.000 0.532 323 G N 0.848 109.719 108.800 0.119 0.000 2.520 323 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.264 323 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.264 323 G C -0.431 174.533 174.900 0.106 0.000 1.140 323 G CA -0.305 44.854 45.100 0.099 0.000 1.012 323 G HN 0.832 nan 8.290 nan 0.000 0.511 324 I N 1.326 121.965 120.570 0.114 0.000 2.347 324 I HA 0.220 4.389 4.170 -0.000 0.000 0.283 324 I C -2.032 174.166 176.117 0.135 0.000 1.058 324 I CA -2.281 59.091 61.300 0.121 0.000 1.202 324 I CB 1.458 39.519 38.000 0.101 0.000 1.386 324 I HN -0.056 nan 8.210 nan 0.000 0.475 325 P HA 0.067 nan 4.420 nan 0.000 0.263 325 P C -0.123 177.296 177.300 0.199 0.000 1.195 325 P CA 0.336 63.526 63.100 0.149 0.000 0.762 325 P CB 0.380 32.161 31.700 0.135 0.000 0.799 326 I N 4.002 124.666 120.570 0.155 0.000 2.517 326 I HA 0.110 4.280 4.170 -0.000 0.000 0.289 326 I C 0.672 176.851 176.117 0.103 0.000 1.149 326 I CA -0.774 60.639 61.300 0.189 0.000 1.189 326 I CB -0.009 38.084 38.000 0.155 0.000 1.641 326 I HN 0.108 nan 8.210 nan 0.000 0.560 327 V N -0.014 119.956 119.914 0.094 0.000 3.134 327 V HA 0.435 4.555 4.120 -0.000 0.000 0.313 327 V C 1.297 177.406 176.094 0.025 0.000 1.069 327 V CA -0.046 62.270 62.300 0.028 0.000 1.048 327 V CB 1.279 33.093 31.823 -0.015 0.000 1.119 327 V HN 0.593 nan 8.190 nan 0.000 0.461 328 T N -2.168 112.403 114.554 0.028 0.000 3.054 328 T HA 0.141 4.491 4.350 -0.000 0.000 0.259 328 T C 0.904 175.724 174.700 0.200 0.000 1.092 328 T CA 0.846 63.007 62.100 0.102 0.000 1.121 328 T CB -0.003 68.927 68.868 0.104 0.000 0.912 328 T HN 0.889 nan 8.240 nan 0.000 0.489 329 S N 1.927 117.661 115.700 0.057 0.000 2.552 329 S HA 0.510 4.979 4.470 -0.000 0.000 0.314 329 S C -2.504 171.974 174.600 -0.203 0.000 1.099 329 S CA -1.657 56.546 58.200 0.005 0.000 1.070 329 S CB 1.654 64.874 63.200 0.034 0.000 0.998 329 S HN -0.048 nan 8.310 nan 0.000 0.474 330 P HA 0.100 nan 4.420 nan 0.000 0.242 330 P C -0.984 175.729 177.300 -0.978 0.000 1.198 330 P CA 0.915 63.420 63.100 -0.993 0.000 0.756 330 P CB -0.205 30.985 31.700 -0.850 0.000 0.911 331 Y N -1.925 118.233 120.300 -0.236 0.000 2.638 331 Y HA 0.549 5.099 4.550 -0.000 0.000 0.339 331 Y C 0.436 176.259 175.900 -0.129 0.000 1.084 331 Y CA -0.955 57.049 58.100 -0.160 0.000 1.068 331 Y CB 1.556 39.940 38.460 -0.127 0.000 1.294 331 Y HN -0.343 nan 8.280 nan 0.000 0.480 332 Q N 1.024 120.864 119.800 0.066 0.000 2.456 332 Q HA 0.713 5.053 4.340 -0.000 0.000 0.284 332 Q C -1.720 174.208 176.000 -0.120 0.000 1.061 332 Q CA -0.911 54.871 55.803 -0.034 0.000 0.799 332 Q CB 3.565 32.331 28.738 0.046 0.000 1.445 332 Q HN 0.521 nan 8.270 nan 0.000 0.411 333 I N 1.223 121.601 120.570 -0.321 0.000 2.498 333 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 333 I C -1.289 174.449 176.117 -0.632 0.000 1.032 333 I CA -0.686 60.388 61.300 -0.376 0.000 1.073 333 I CB 1.643 39.447 38.000 -0.327 0.000 1.251 333 I HN 0.582 nan 8.210 nan 0.000 0.426 334 H N 5.074 124.028 119.070 -0.194 0.000 2.782 334 H HA 0.365 4.921 4.556 -0.000 0.000 0.347 334 H C -0.818 174.406 175.328 -0.173 0.000 1.038 334 H CA -0.431 55.574 56.048 -0.072 0.000 1.255 334 H CB 1.513 31.377 29.762 0.170 0.000 1.623 334 H HN 0.419 nan 8.280 nan 0.000 0.525 335 F N 0.913 120.988 119.950 0.207 0.000 2.713 335 F HA 0.055 4.582 4.527 -0.000 0.000 0.294 335 F C 1.909 177.778 175.800 0.114 0.000 1.152 335 F CA -0.078 58.012 58.000 0.151 0.000 1.385 335 F CB -0.045 39.024 39.000 0.116 0.000 0.981 335 F HN 0.606 nan 8.300 nan 0.000 0.514 336 T N -2.971 111.707 114.554 0.207 0.000 2.962 336 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 336 T C 1.607 176.302 174.700 -0.008 0.000 1.088 336 T CA 1.081 63.222 62.100 0.070 0.000 1.127 336 T CB -0.159 68.695 68.868 -0.023 0.000 0.883 336 T HN 0.294 nan 8.240 nan 0.000 0.493 337 K N 0.882 121.306 120.400 0.040 0.000 2.374 337 K HA 0.165 4.485 4.320 -0.000 0.000 0.196 337 K C -0.020 176.675 176.600 0.159 0.000 1.023 337 K CA 0.060 56.394 56.287 0.077 0.000 1.103 337 K CB 0.549 33.143 32.500 0.157 0.000 0.848 337 K HN 0.255 nan 8.250 nan 0.000 0.528 338 T N 3.326 117.994 114.554 0.191 0.000 2.767 338 T HA 0.250 4.600 4.350 -0.000 0.000 0.284 338 T C -2.575 172.238 174.700 0.188 0.000 0.973 338 T CA -1.811 60.413 62.100 0.206 0.000 0.996 338 T CB 1.578 70.653 68.868 0.344 0.000 0.927 338 T HN -0.132 nan 8.240 nan 0.000 0.456 339 P HA 0.104 nan 4.420 nan 0.000 0.267 339 P C 0.385 177.855 177.300 0.283 0.000 1.201 339 P CA -0.288 62.946 63.100 0.222 0.000 0.775 339 P CB 0.517 32.353 31.700 0.225 0.000 0.854 340 K N 1.304 121.820 120.400 0.193 0.000 2.498 340 K HA 0.211 4.531 4.320 -0.000 0.000 0.207 340 K C -0.553 175.846 176.600 -0.336 0.000 1.033 340 K CA 0.032 56.282 56.287 -0.062 0.000 1.138 340 K CB -0.030 32.342 32.500 -0.214 0.000 0.860 340 K HN 0.510 nan 8.250 nan 0.000 0.490 341 Y N 0.054 120.517 120.300 0.270 0.000 2.504 341 Y HA 0.376 4.926 4.550 -0.000 0.000 0.344 341 Y C -0.154 175.966 175.900 0.366 0.000 1.023 341 Y CA -1.698 56.534 58.100 0.221 0.000 1.020 341 Y CB 1.447 40.001 38.460 0.156 0.000 1.282 341 Y HN -0.014 nan 8.280 nan 0.000 0.454 342 F N -0.772 119.340 119.950 0.270 0.000 2.654 342 F HA 0.937 5.463 4.527 -0.000 0.000 0.334 342 F C -1.534 174.361 175.800 0.158 0.000 1.078 342 F CA -1.674 56.454 58.000 0.214 0.000 0.986 342 F CB 1.348 40.238 39.000 -0.184 0.000 1.362 342 F HN 0.090 nan 8.300 nan 0.000 0.498 343 K N 1.509 122.048 120.400 0.232 0.000 2.394 343 K HA 0.459 4.779 4.320 -0.000 0.000 0.260 343 K C -2.891 173.638 176.600 -0.119 0.000 0.967 343 K CA -2.141 54.055 56.287 -0.151 0.000 0.855 343 K CB 1.372 33.769 32.500 -0.172 0.000 1.101 343 K HN 0.234 nan 8.250 nan 0.000 0.433 344 P HA -0.010 nan 4.420 nan 0.000 0.257 344 P C 0.690 177.920 177.300 -0.116 0.000 1.189 344 P CA 0.999 64.074 63.100 -0.041 0.000 0.780 344 P CB 0.552 32.228 31.700 -0.039 0.000 0.772 345 G N 2.943 111.728 108.800 -0.025 0.000 2.345 345 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 345 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 345 G C 0.189 175.050 174.900 -0.065 0.000 1.058 345 G CA -0.296 44.778 45.100 -0.044 0.000 0.632 345 G HN 0.447 nan 8.290 nan 0.000 0.508 346 M N 2.110 121.663 119.600 -0.078 0.000 2.250 346 M HA 0.402 4.882 4.480 -0.000 0.000 0.344 346 M C -2.282 173.955 176.300 -0.105 0.000 1.150 346 M CA -1.586 53.660 55.300 -0.089 0.000 1.147 346 M CB 0.507 33.059 32.600 -0.080 0.000 1.498 346 M HN -0.050 nan 8.290 nan 0.000 0.461 347 P HA -0.016 nan 4.420 nan 0.000 0.266 347 P C -1.299 175.899 177.300 -0.169 0.000 1.195 347 P CA 0.227 63.219 63.100 -0.180 0.000 0.768 347 P CB 0.200 31.758 31.700 -0.237 0.000 0.838 348 F N 3.138 122.997 119.950 -0.153 0.000 2.403 348 F HA 0.308 4.835 4.527 -0.000 0.000 0.355 348 F C -0.430 175.374 175.800 0.007 0.000 1.119 348 F CA -0.825 57.154 58.000 -0.034 0.000 1.007 348 F CB 0.674 39.664 39.000 -0.015 0.000 1.194 348 F HN 0.144 nan 8.300 nan 0.000 0.443 349 D N 5.658 125.792 120.400 -0.442 0.000 2.302 349 D HA 0.426 5.066 4.640 -0.000 0.000 0.248 349 D C -0.804 175.180 176.300 -0.527 0.000 1.094 349 D CA 0.166 53.969 54.000 -0.329 0.000 0.897 349 D CB 1.675 42.396 40.800 -0.132 0.000 1.200 349 D HN 0.339 nan 8.370 nan 0.000 0.429 350 L N 1.583 122.687 121.223 -0.199 0.000 2.346 350 L HA 0.390 4.730 4.340 -0.000 0.000 0.276 350 L C 0.163 177.059 176.870 0.043 0.000 1.006 350 L CA -0.398 54.419 54.840 -0.039 0.000 0.817 350 L CB 1.574 43.725 42.059 0.153 0.000 1.272 350 L HN 0.191 nan 8.230 nan 0.000 0.421 351 M N 3.400 123.068 119.600 0.113 0.000 3.307 351 M HA 0.266 4.745 4.480 -0.000 0.000 0.222 351 M C -0.638 175.758 176.300 0.160 0.000 1.243 351 M CA -0.463 54.910 55.300 0.121 0.000 1.270 351 M CB 0.438 33.117 32.600 0.131 0.000 1.187 351 M HN 0.187 nan 8.290 nan 0.000 0.598 352 V N 1.987 121.970 119.914 0.116 0.000 2.617 352 V HA -0.080 4.039 4.120 -0.000 0.000 0.304 352 V C -0.081 176.076 176.094 0.106 0.000 1.040 352 V CA 0.519 62.828 62.300 0.015 0.000 1.149 352 V CB 0.012 31.818 31.823 -0.028 0.000 0.914 352 V HN 0.499 nan 8.190 nan 0.000 0.487 353 F N 5.955 125.843 119.950 -0.103 0.000 2.453 353 F HA 0.518 5.045 4.527 -0.000 0.000 0.358 353 F C -0.093 175.718 175.800 0.018 0.000 1.129 353 F CA -0.737 57.259 58.000 -0.007 0.000 1.200 353 F CB 0.870 39.898 39.000 0.047 0.000 1.431 353 F HN 0.253 nan 8.300 nan 0.000 0.503 354 V N 4.289 124.043 119.914 -0.267 0.000 2.530 354 V HA 0.431 4.551 4.120 -0.000 0.000 0.282 354 V C 0.410 176.300 176.094 -0.340 0.000 1.048 354 V CA 0.260 62.419 62.300 -0.235 0.000 0.997 354 V CB 0.989 32.716 31.823 -0.160 0.000 0.987 354 V HN 0.786 nan 8.190 nan 0.000 0.477 355 T N 1.735 116.174 114.554 -0.191 0.000 2.804 355 T HA 0.557 4.907 4.350 -0.000 0.000 0.290 355 T C -0.530 174.162 174.700 -0.014 0.000 1.099 355 T CA -1.086 60.919 62.100 -0.159 0.000 1.011 355 T CB 1.756 70.499 68.868 -0.208 0.000 1.291 355 T HN 0.407 nan 8.240 nan 0.000 0.523 356 N N 1.030 119.712 118.700 -0.029 0.000 2.476 356 N HA 0.440 5.179 4.740 -0.000 0.000 0.275 356 N C -1.971 173.513 175.510 -0.042 0.000 1.190 356 N CA -2.276 50.730 53.050 -0.073 0.000 0.977 356 N CB 0.548 39.017 38.487 -0.031 0.000 1.200 356 N HN 0.336 nan 8.380 nan 0.000 0.515 357 P HA -0.164 nan 4.420 nan 0.000 0.217 357 P C 0.531 177.864 177.300 0.055 0.000 1.148 357 P CA 1.303 64.388 63.100 -0.025 0.000 0.828 357 P CB 0.209 31.884 31.700 -0.041 0.000 0.783 358 D N -2.089 118.356 120.400 0.075 0.000 2.213 358 D HA 0.009 4.649 4.640 -0.000 0.000 0.205 358 D C 1.588 177.929 176.300 0.069 0.000 0.961 358 D CA 1.595 55.645 54.000 0.083 0.000 0.853 358 D CB -0.805 40.050 40.800 0.093 0.000 0.967 358 D HN 0.271 nan 8.370 nan 0.000 0.496 359 G N -0.150 108.684 108.800 0.057 0.000 2.370 359 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.174 359 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.174 359 G C 0.149 175.081 174.900 0.053 0.000 1.002 359 G CA 0.189 45.323 45.100 0.058 0.000 0.730 359 G HN 0.691 nan 8.290 nan 0.000 0.497 360 S N 1.110 116.837 115.700 0.046 0.000 2.565 360 S HA 0.663 5.133 4.470 -0.000 0.000 0.274 360 S C -2.243 172.364 174.600 0.011 0.000 1.309 360 S CA -1.232 56.996 58.200 0.045 0.000 1.043 360 S CB 1.831 65.063 63.200 0.053 0.000 0.939 360 S HN 0.097 nan 8.310 nan 0.000 0.504 361 P HA 0.241 nan 4.420 nan 0.000 0.267 361 P C -0.829 176.484 177.300 0.022 0.000 1.200 361 P CA -0.011 63.064 63.100 -0.041 0.000 0.772 361 P CB 0.273 31.993 31.700 0.034 0.000 0.855 362 A N 2.994 125.821 122.820 0.013 0.000 2.305 362 A HA 0.433 4.753 4.320 -0.000 0.000 0.322 362 A C -1.294 176.368 177.584 0.131 0.000 1.187 362 A CA -0.411 51.698 52.037 0.120 0.000 0.825 362 A CB 0.104 19.223 19.000 0.199 0.000 1.164 362 A HN 0.529 nan 8.150 nan 0.000 0.498 363 Y N 2.496 122.824 120.300 0.047 0.000 2.328 363 Y HA 0.492 5.041 4.550 -0.000 0.000 0.337 363 Y C 0.588 176.496 175.900 0.014 0.000 1.008 363 Y CA -0.094 58.019 58.100 0.022 0.000 1.129 363 Y CB 0.582 39.057 38.460 0.026 0.000 1.185 363 Y HN 0.870 nan 8.280 nan 0.000 0.476 364 R N 3.297 123.483 120.500 -0.524 0.000 2.532 364 R HA -0.082 4.258 4.340 -0.000 0.000 0.317 364 R C -1.886 174.292 176.300 -0.202 0.000 1.026 364 R CA 0.485 56.350 56.100 -0.393 0.000 0.846 364 R CB -1.612 28.461 30.300 -0.378 0.000 2.375 364 R HN 0.399 nan 8.270 nan 0.000 0.497 365 V N 3.657 123.441 119.914 -0.217 0.000 2.445 365 V HA 0.246 4.366 4.120 -0.000 0.000 0.283 365 V C -2.009 173.948 176.094 -0.227 0.000 1.014 365 V CA -1.850 60.290 62.300 -0.267 0.000 0.852 365 V CB 2.135 33.731 31.823 -0.379 0.000 1.021 365 V HN 0.313 nan 8.190 nan 0.000 0.435 366 P HA 0.118 nan 4.420 nan 0.000 0.261 366 P C -0.503 176.712 177.300 -0.141 0.000 1.183 366 P CA 0.472 63.486 63.100 -0.143 0.000 0.761 366 P CB 0.569 32.198 31.700 -0.118 0.000 0.785 367 V N 0.787 120.638 119.914 -0.105 0.000 2.823 367 V HA 0.990 5.110 4.120 -0.000 0.000 0.312 367 V C -0.647 175.420 176.094 -0.045 0.000 1.072 367 V CA -1.226 61.025 62.300 -0.081 0.000 0.937 367 V CB 1.910 33.687 31.823 -0.077 0.000 1.013 367 V HN 0.633 nan 8.190 nan 0.000 0.430 368 A N 2.482 125.287 122.820 -0.024 0.000 2.602 368 A HA 0.906 5.226 4.320 -0.000 0.000 0.290 368 A C -1.153 176.441 177.584 0.017 0.000 1.114 368 A CA -0.597 51.436 52.037 -0.006 0.000 0.683 368 A CB 1.801 20.790 19.000 -0.018 0.000 1.281 368 A HN 1.479 nan 8.150 nan 0.000 0.416 369 V N 1.758 121.684 119.914 0.020 0.000 2.630 369 V HA 0.242 4.362 4.120 -0.000 0.000 0.305 369 V C 1.114 177.214 176.094 0.010 0.000 1.046 369 V CA -0.550 61.767 62.300 0.028 0.000 0.934 369 V CB 1.604 33.446 31.823 0.031 0.000 1.003 369 V HN 0.961 nan 8.190 nan 0.000 0.451 370 Q N 2.490 122.295 119.800 0.009 0.000 2.197 370 Q HA -0.169 4.171 4.340 -0.000 0.000 0.207 370 Q C 2.007 178.003 176.000 -0.007 0.000 0.984 370 Q CA 1.869 57.672 55.803 -0.001 0.000 0.869 370 Q CB -0.362 28.374 28.738 -0.004 0.000 0.906 370 Q HN 1.028 nan 8.270 nan 0.000 0.426 371 G N 0.816 109.611 108.800 -0.008 0.000 2.666 371 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 371 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 371 G C 0.428 175.323 174.900 -0.008 0.000 1.294 371 G CA 0.469 45.563 45.100 -0.010 0.000 0.811 371 G HN 0.323 nan 8.290 nan 0.000 0.594 372 E N 0.935 121.130 120.200 -0.008 0.000 2.191 372 E HA 0.383 4.733 4.350 -0.000 0.000 0.274 372 E C -0.656 175.937 176.600 -0.011 0.000 0.948 372 E CA -0.908 55.486 56.400 -0.010 0.000 0.802 372 E CB 1.303 30.995 29.700 -0.013 0.000 1.137 372 E HN 0.391 nan 8.360 nan 0.000 0.397 373 D N 1.720 122.113 120.400 -0.012 0.000 2.466 373 D HA 0.316 4.956 4.640 -0.000 0.000 0.262 373 D C 0.119 176.409 176.300 -0.017 0.000 1.177 373 D CA 0.141 54.132 54.000 -0.014 0.000 1.035 373 D CB 0.327 41.118 40.800 -0.015 0.000 1.105 373 D HN 0.543 nan 8.370 nan 0.000 0.551 374 T N -1.930 112.613 114.554 -0.019 0.000 11.675 374 T HA -0.188 4.162 4.350 -0.000 0.000 0.407 374 T C 0.730 175.416 174.700 -0.023 0.000 1.535 374 T CA 1.475 63.562 62.100 -0.021 0.000 2.503 374 T CB -1.499 67.358 68.868 -0.019 0.000 2.785 374 T HN 0.461 nan 8.240 nan 0.000 0.895 375 V N 3.851 123.753 119.914 -0.020 0.000 2.324 375 V HA 0.229 4.349 4.120 -0.000 0.000 0.244 375 V C 0.534 176.615 176.094 -0.021 0.000 1.144 375 V CA 0.824 63.112 62.300 -0.020 0.000 1.158 375 V CB -0.259 31.555 31.823 -0.016 0.000 1.254 375 V HN 0.436 nan 8.190 nan 0.000 0.492 376 Q N 2.473 122.256 119.800 -0.028 0.000 2.496 376 Q HA 0.825 5.165 4.340 -0.000 0.000 0.286 376 Q C -0.555 175.421 176.000 -0.042 0.000 1.103 376 Q CA -0.796 54.985 55.803 -0.036 0.000 0.813 376 Q CB 2.657 31.370 28.738 -0.043 0.000 1.444 376 Q HN 0.691 nan 8.270 nan 0.000 0.443 377 S N 0.209 115.878 115.700 -0.052 0.000 2.653 377 S HA 0.373 4.843 4.470 -0.000 0.000 0.268 377 S C -1.187 173.364 174.600 -0.083 0.000 1.153 377 S CA -0.797 57.367 58.200 -0.060 0.000 1.036 377 S CB 0.399 63.570 63.200 -0.047 0.000 1.103 377 S HN 0.368 nan 8.310 nan 0.000 0.466 378 L N 3.142 124.306 121.223 -0.099 0.000 2.499 378 L HA 0.275 4.615 4.340 -0.000 0.000 0.273 378 L C 1.092 177.869 176.870 -0.155 0.000 1.195 378 L CA 0.842 55.599 54.840 -0.138 0.000 0.882 378 L CB -0.126 41.842 42.059 -0.153 0.000 1.133 378 L HN 0.769 nan 8.230 nan 0.000 0.483 379 T N 3.644 118.094 114.554 -0.173 0.000 2.928 379 T HA 0.075 4.425 4.350 -0.000 0.000 0.305 379 T C 0.589 175.165 174.700 -0.208 0.000 1.035 379 T CA -0.256 61.750 62.100 -0.156 0.000 1.145 379 T CB 0.302 69.082 68.868 -0.147 0.000 0.963 379 T HN 0.539 nan 8.240 nan 0.000 0.545 380 Q N 1.438 121.164 119.800 -0.122 0.000 2.319 380 Q HA 0.316 4.656 4.340 -0.000 0.000 0.173 380 Q C 2.084 178.082 176.000 -0.002 0.000 1.112 380 Q CA -0.244 55.502 55.803 -0.096 0.000 1.144 380 Q CB -0.035 28.691 28.738 -0.020 0.000 1.765 380 Q HN 0.813 nan 8.270 nan 0.000 0.594 381 G N 0.760 109.652 108.800 0.154 0.000 2.396 381 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.214 381 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.214 381 G C 0.854 175.863 174.900 0.182 0.000 1.166 381 G CA 0.927 46.214 45.100 0.310 0.000 0.793 381 G HN 0.763 nan 8.290 nan 0.000 0.533 382 D N 0.244 120.720 120.400 0.126 0.000 2.350 382 D HA 0.123 4.763 4.640 -0.000 0.000 0.216 382 D C 1.618 178.008 176.300 0.150 0.000 0.968 382 D CA 0.922 55.002 54.000 0.134 0.000 0.894 382 D CB -0.680 40.195 40.800 0.124 0.000 0.909 382 D HN 0.635 nan 8.370 nan 0.000 0.520 383 G N -0.705 108.147 108.800 0.087 0.000 2.164 383 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 383 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 383 G C -0.302 174.607 174.900 0.014 0.000 1.031 383 G CA 0.024 45.110 45.100 -0.023 0.000 0.730 383 G HN 0.396 nan 8.290 nan 0.000 0.501 384 V N -0.077 119.891 119.914 0.090 0.000 2.531 384 V HA 0.873 4.993 4.120 -0.000 0.000 0.301 384 V C 0.541 176.657 176.094 0.037 0.000 1.034 384 V CA -0.282 62.098 62.300 0.132 0.000 0.865 384 V CB 1.603 33.534 31.823 0.179 0.000 0.995 384 V HN 1.216 nan 8.190 nan 0.000 0.424 385 A N 3.858 126.691 122.820 0.022 0.000 2.269 385 A HA 0.950 5.270 4.320 -0.000 0.000 0.327 385 A C -0.448 177.137 177.584 0.001 0.000 1.112 385 A CA -0.686 51.343 52.037 -0.013 0.000 0.865 385 A CB 1.411 20.390 19.000 -0.035 0.000 1.227 385 A HN 0.688 nan 8.150 nan 0.000 0.498 386 K N 0.991 121.381 120.400 -0.016 0.000 2.572 386 K HA 0.616 4.935 4.320 -0.000 0.000 0.244 386 K C -1.613 174.978 176.600 -0.015 0.000 0.965 386 K CA 0.052 56.329 56.287 -0.017 0.000 0.943 386 K CB 0.066 32.547 32.500 -0.032 0.000 1.154 386 K HN 0.600 nan 8.250 nan 0.000 0.447 387 L N 1.918 123.141 121.223 -0.000 0.000 2.313 387 L HA 0.669 5.009 4.340 -0.000 0.000 0.268 387 L C -0.496 176.368 176.870 -0.010 0.000 1.010 387 L CA -1.074 53.770 54.840 0.006 0.000 0.814 387 L CB 2.203 44.288 42.059 0.044 0.000 1.304 387 L HN 0.838 nan 8.230 nan 0.000 0.441 388 S N 1.074 116.770 115.700 -0.005 0.000 2.446 388 S HA 0.441 4.911 4.470 -0.000 0.000 0.230 388 S C -0.786 173.814 174.600 -0.001 0.000 1.051 388 S CA -0.861 57.328 58.200 -0.017 0.000 1.113 388 S CB 0.244 63.420 63.200 -0.041 0.000 1.184 388 S HN 0.551 nan 8.310 nan 0.000 0.435 389 I N 0.115 120.709 120.570 0.041 0.000 2.934 389 I HA 0.658 4.828 4.170 -0.000 0.000 0.315 389 I C -0.018 176.096 176.117 -0.004 0.000 0.997 389 I CA -0.863 60.449 61.300 0.020 0.000 1.184 389 I CB 0.851 38.871 38.000 0.033 0.000 1.400 389 I HN 0.414 nan 8.210 nan 0.000 0.549 390 N N 1.218 119.880 118.700 -0.062 0.000 2.489 390 N HA 0.493 5.233 4.740 -0.000 0.000 0.284 390 N C -1.023 174.380 175.510 -0.179 0.000 1.158 390 N CA -0.169 52.811 53.050 -0.117 0.000 0.965 390 N CB 1.816 40.212 38.487 -0.152 0.000 1.195 390 N HN 0.730 nan 8.380 nan 0.000 0.506 391 T N 0.869 115.304 114.554 -0.198 0.000 2.887 391 T HA 0.358 4.707 4.350 -0.000 0.000 0.288 391 T C -0.592 173.959 174.700 -0.248 0.000 1.021 391 T CA -0.595 61.379 62.100 -0.211 0.000 1.000 391 T CB 1.009 69.819 68.868 -0.096 0.000 1.034 391 T HN 0.322 nan 8.240 nan 0.000 0.467 392 H N 1.827 120.863 119.070 -0.056 0.000 2.481 392 H HA 0.206 4.762 4.556 -0.000 0.000 0.339 392 H C -1.781 173.566 175.328 0.032 0.000 1.131 392 H CA -2.077 53.962 56.048 -0.014 0.000 1.301 392 H CB 1.417 31.165 29.762 -0.023 0.000 1.476 392 H HN 0.318 nan 8.280 nan 0.000 0.529 393 P HA -0.123 nan 4.420 nan 0.000 0.231 393 P C 0.404 177.790 177.300 0.142 0.000 1.158 393 P CA 0.628 63.801 63.100 0.122 0.000 0.763 393 P CB 0.093 31.858 31.700 0.109 0.000 0.805 394 S N -0.354 115.439 115.700 0.154 0.000 2.576 394 S HA 0.040 4.510 4.470 -0.000 0.000 0.272 394 S C 0.916 175.613 174.600 0.161 0.000 1.352 394 S CA -0.306 57.968 58.200 0.122 0.000 1.021 394 S CB 0.448 63.690 63.200 0.071 0.000 0.887 394 S HN 0.022 nan 8.310 nan 0.000 0.542 395 Q N -0.172 119.704 119.800 0.128 0.000 2.222 395 Q HA 0.249 4.589 4.340 -0.000 0.000 0.206 395 Q C -0.330 175.758 176.000 0.146 0.000 0.877 395 Q CA 0.021 55.906 55.803 0.135 0.000 0.958 395 Q CB -0.158 28.634 28.738 0.091 0.000 1.075 395 Q HN 0.624 nan 8.270 nan 0.000 0.483 396 K N 2.395 122.878 120.400 0.138 0.000 2.322 396 K HA 0.199 4.519 4.320 -0.000 0.000 0.283 396 K C -2.463 174.228 176.600 0.151 0.000 1.042 396 K CA -1.922 54.423 56.287 0.096 0.000 0.958 396 K CB 0.455 32.971 32.500 0.027 0.000 0.984 396 K HN -0.142 nan 8.250 nan 0.000 0.473 397 P HA -0.099 nan 4.420 nan 0.000 0.263 397 P C -0.776 176.500 177.300 -0.041 0.000 1.175 397 P CA 0.165 63.339 63.100 0.123 0.000 0.761 397 P CB 0.388 32.115 31.700 0.045 0.000 0.794 398 L N 2.593 123.702 121.223 -0.190 0.000 2.292 398 L HA 0.377 4.717 4.340 -0.000 0.000 0.284 398 L C 0.233 176.906 176.870 -0.328 0.000 1.065 398 L CA -0.139 54.404 54.840 -0.495 0.000 0.806 398 L CB 0.900 42.254 42.059 -1.175 0.000 1.175 398 L HN 0.324 nan 8.230 nan 0.000 0.431 399 S N 4.843 120.384 115.700 -0.266 0.000 2.552 399 S HA 0.691 5.161 4.470 -0.000 0.000 0.314 399 S C -0.762 173.716 174.600 -0.203 0.000 1.099 399 S CA -0.584 57.493 58.200 -0.206 0.000 1.070 399 S CB 0.793 63.913 63.200 -0.135 0.000 0.998 399 S HN 0.401 nan 8.310 nan 0.000 0.474 400 I N 3.611 124.045 120.570 -0.227 0.000 2.474 400 I HA 0.421 4.590 4.170 -0.000 0.000 0.294 400 I C -0.107 175.923 176.117 -0.145 0.000 1.005 400 I CA -0.225 60.962 61.300 -0.188 0.000 1.113 400 I CB 2.358 40.228 38.000 -0.217 0.000 1.289 400 I HN 0.468 nan 8.210 nan 0.000 0.436 401 T N 4.935 119.463 114.554 -0.042 0.000 2.991 401 T HA 0.451 4.801 4.350 -0.000 0.000 0.347 401 T C -0.426 174.331 174.700 0.095 0.000 1.122 401 T CA -0.423 61.696 62.100 0.031 0.000 1.062 401 T CB 0.752 69.627 68.868 0.012 0.000 1.043 401 T HN 0.190 nan 8.240 nan 0.000 0.491 402 V N 4.903 124.952 119.914 0.225 0.000 2.439 402 V HA 0.528 4.648 4.120 -0.000 0.000 0.282 402 V C 0.504 176.659 176.094 0.102 0.000 1.039 402 V CA -0.618 61.800 62.300 0.197 0.000 0.913 402 V CB 1.263 33.284 31.823 0.329 0.000 0.983 402 V HN 0.689 nan 8.190 nan 0.000 0.460 403 R N 1.796 122.319 120.500 0.038 0.000 3.006 403 R HA 0.686 5.026 4.340 -0.000 0.000 0.235 403 R C -0.458 175.816 176.300 -0.043 0.000 1.362 403 R CA -0.759 55.339 56.100 -0.003 0.000 1.067 403 R CB 1.610 31.909 30.300 -0.002 0.000 1.396 403 R HN 0.619 nan 8.270 nan 0.000 0.504 404 T N 0.781 115.295 114.554 -0.067 0.000 2.809 404 T HA 0.214 4.564 4.350 -0.000 0.000 0.296 404 T C -0.216 174.423 174.700 -0.102 0.000 1.015 404 T CA -0.730 61.298 62.100 -0.120 0.000 0.954 404 T CB 0.525 69.276 68.868 -0.195 0.000 0.950 404 T HN 0.236 nan 8.240 nan 0.000 0.450 405 K N 3.737 124.079 120.400 -0.097 0.000 2.745 405 K HA 0.160 4.480 4.320 -0.000 0.000 0.223 405 K C 0.447 176.994 176.600 -0.088 0.000 1.057 405 K CA -0.319 55.923 56.287 -0.075 0.000 1.217 405 K CB 0.021 32.485 32.500 -0.060 0.000 0.993 405 K HN 0.411 nan 8.250 nan 0.000 0.478 406 K N 2.167 122.495 120.400 -0.121 0.000 2.419 406 K HA 0.009 4.329 4.320 -0.000 0.000 0.282 406 K C 0.604 177.170 176.600 -0.057 0.000 1.056 406 K CA 0.418 56.634 56.287 -0.118 0.000 1.035 406 K CB 0.342 32.735 32.500 -0.178 0.000 0.921 406 K HN 0.327 nan 8.250 nan 0.000 0.472 407 Q N 1.558 121.331 119.800 -0.045 0.000 2.631 407 Q HA -0.014 4.325 4.340 -0.000 0.000 0.210 407 Q C 0.075 176.067 176.000 -0.013 0.000 1.094 407 Q CA 0.054 55.841 55.803 -0.027 0.000 1.055 407 Q CB 0.347 29.070 28.738 -0.025 0.000 1.261 407 Q HN 0.489 nan 8.270 nan 0.000 0.615 408 E N -1.133 119.058 120.200 -0.014 0.000 2.883 408 E HA -0.239 4.111 4.350 -0.000 0.000 0.271 408 E C -1.115 175.475 176.600 -0.016 0.000 1.049 408 E CA 0.113 56.506 56.400 -0.012 0.000 0.817 408 E CB -1.065 28.636 29.700 0.000 0.000 1.407 408 E HN 0.206 nan 8.360 nan 0.000 0.434 409 L N -0.007 121.204 121.223 -0.020 0.000 2.588 409 L HA 0.264 4.604 4.340 -0.000 0.000 0.263 409 L C -0.067 176.788 176.870 -0.025 0.000 0.935 409 L CA -0.092 54.733 54.840 -0.025 0.000 0.891 409 L CB 1.862 43.924 42.059 0.004 0.000 1.318 409 L HN 0.113 nan 8.230 nan 0.000 0.409 410 S N 2.512 118.192 115.700 -0.033 0.000 2.589 410 S HA 0.230 4.700 4.470 -0.000 0.000 0.265 410 S C 0.779 175.371 174.600 -0.012 0.000 1.342 410 S CA -0.292 57.892 58.200 -0.026 0.000 1.005 410 S CB 0.771 63.951 63.200 -0.032 0.000 0.909 410 S HN 0.682 nan 8.310 nan 0.000 0.555 411 E N 1.202 121.394 120.200 -0.012 0.000 2.204 411 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 411 E C 2.091 178.695 176.600 0.006 0.000 0.990 411 E CA 1.310 57.706 56.400 -0.005 0.000 0.821 411 E CB -0.724 28.971 29.700 -0.009 0.000 0.750 411 E HN 0.843 nan 8.360 nan 0.000 0.477 412 A N 0.964 123.787 122.820 0.005 0.000 2.209 412 A HA -0.102 4.218 4.320 -0.000 0.000 0.212 412 A C 1.376 178.996 177.584 0.060 0.000 1.158 412 A CA 0.646 52.694 52.037 0.018 0.000 0.742 412 A CB -0.077 18.918 19.000 -0.009 0.000 0.790 412 A HN 0.116 nan 8.150 nan 0.000 0.472 413 E N -0.198 120.040 120.200 0.064 0.000 2.624 413 E HA 0.091 4.441 4.350 -0.000 0.000 0.210 413 E C -0.331 176.320 176.600 0.084 0.000 0.997 413 E CA -0.265 56.205 56.400 0.117 0.000 0.999 413 E CB 0.341 30.095 29.700 0.090 0.000 1.040 413 E HN 0.509 nan 8.360 nan 0.000 0.469 414 Q N 0.355 120.188 119.800 0.055 0.000 2.180 414 Q HA 0.621 4.961 4.340 -0.000 0.000 0.241 414 Q C -0.263 175.760 176.000 0.038 0.000 0.970 414 Q CA -0.579 55.250 55.803 0.043 0.000 0.919 414 Q CB 1.571 30.315 28.738 0.010 0.000 1.222 414 Q HN 0.120 nan 8.270 nan 0.000 0.482 415 A N 0.320 123.155 122.820 0.025 0.000 2.325 415 A HA 0.713 5.033 4.320 -0.000 0.000 0.333 415 A C -0.444 177.134 177.584 -0.009 0.000 1.155 415 A CA -0.358 51.684 52.037 0.007 0.000 0.814 415 A CB 1.578 20.581 19.000 0.005 0.000 1.206 415 A HN 0.548 nan 8.150 nan 0.000 0.482 416 T N 0.047 114.597 114.554 -0.006 0.000 2.916 416 T HA 0.677 5.027 4.350 -0.000 0.000 0.305 416 T C -1.205 173.510 174.700 0.026 0.000 1.119 416 T CA -0.560 61.548 62.100 0.013 0.000 1.008 416 T CB 1.194 70.077 68.868 0.024 0.000 1.129 416 T HN 0.970 nan 8.240 nan 0.000 0.480 417 R N 1.822 122.378 120.500 0.094 0.000 2.584 417 R HA 0.653 4.993 4.340 -0.000 0.000 0.276 417 R C -1.570 174.924 176.300 0.324 0.000 1.046 417 R CA -0.325 55.882 56.100 0.180 0.000 0.906 417 R CB 1.812 32.191 30.300 0.132 0.000 1.215 417 R HN 0.674 nan 8.270 nan 0.000 0.449 418 T N 5.397 120.059 114.554 0.180 0.000 2.807 418 T HA 0.565 4.915 4.350 -0.000 0.000 0.279 418 T C -0.030 174.644 174.700 -0.043 0.000 0.993 418 T CA -0.695 61.429 62.100 0.040 0.000 0.970 418 T CB 0.971 69.840 68.868 0.002 0.000 0.950 418 T HN 0.664 nan 8.240 nan 0.000 0.441 419 M N 1.766 121.209 119.600 -0.262 0.000 2.758 419 M HA 0.736 5.216 4.480 -0.000 0.000 0.281 419 M C -1.064 175.108 176.300 -0.213 0.000 1.082 419 M CA -1.032 54.117 55.300 -0.253 0.000 0.866 419 M CB 1.791 34.111 32.600 -0.467 0.000 1.662 419 M HN 0.464 nan 8.290 nan 0.000 0.515 420 Q N 0.339 120.031 119.800 -0.180 0.000 2.327 420 Q HA 0.692 5.031 4.340 -0.000 0.000 0.265 420 Q C -2.401 173.509 176.000 -0.150 0.000 0.993 420 Q CA -0.564 55.144 55.803 -0.159 0.000 0.885 420 Q CB 2.543 31.219 28.738 -0.104 0.000 1.379 420 Q HN 0.979 nan 8.270 nan 0.000 0.408 421 A N 4.125 126.856 122.820 -0.148 0.000 2.355 421 A HA 0.817 5.137 4.320 -0.000 0.000 0.324 421 A C -1.244 176.436 177.584 0.161 0.000 1.117 421 A CA -0.641 51.365 52.037 -0.052 0.000 0.785 421 A CB 1.061 20.022 19.000 -0.064 0.000 1.254 421 A HN 0.707 nan 8.150 nan 0.000 0.453 422 L N 1.924 123.144 121.223 -0.005 0.000 2.325 422 L HA 0.435 4.775 4.340 -0.000 0.000 0.278 422 L C -2.301 174.427 176.870 -0.236 0.000 1.023 422 L CA -2.225 52.627 54.840 0.019 0.000 0.811 422 L CB 1.946 43.995 42.059 -0.018 0.000 1.249 422 L HN 0.427 nan 8.230 nan 0.000 0.431 423 P HA -0.094 nan 4.420 nan 0.000 0.268 423 P C -1.282 175.903 177.300 -0.191 0.000 1.208 423 P CA 0.070 62.725 63.100 -0.742 0.000 0.777 423 P CB 0.228 31.765 31.700 -0.272 0.000 0.875 424 Y N 2.311 122.487 120.300 -0.205 0.000 2.477 424 Y HA 0.261 4.811 4.550 -0.000 0.000 0.349 424 Y C 0.658 176.636 175.900 0.130 0.000 0.977 424 Y CA -0.270 57.852 58.100 0.037 0.000 1.214 424 Y CB 0.268 38.822 38.460 0.157 0.000 1.124 424 Y HN 0.232 nan 8.280 nan 0.000 0.521 425 S N 4.601 120.083 115.700 -0.364 0.000 2.537 425 S HA 0.169 4.639 4.470 -0.000 0.000 0.286 425 S C -0.127 174.225 174.600 -0.413 0.000 1.299 425 S CA -0.111 57.919 58.200 -0.285 0.000 1.067 425 S CB 0.015 63.078 63.200 -0.228 0.000 0.864 425 S HN 0.781 nan 8.310 nan 0.000 0.494 426 T N 4.770 119.211 114.554 -0.188 0.000 2.824 426 T HA 0.323 4.673 4.350 -0.000 0.000 0.280 426 T C -0.340 174.289 174.700 -0.119 0.000 0.995 426 T CA -0.614 61.377 62.100 -0.182 0.000 1.009 426 T CB 1.347 70.079 68.868 -0.226 0.000 0.955 426 T HN 0.487 nan 8.240 nan 0.000 0.452 427 V N 3.506 123.351 119.914 -0.116 0.000 2.400 427 V HA 0.360 4.480 4.120 -0.000 0.000 0.263 427 V C 1.484 177.523 176.094 -0.090 0.000 1.026 427 V CA 1.028 63.268 62.300 -0.099 0.000 1.077 427 V CB -0.470 31.246 31.823 -0.177 0.000 1.054 427 V HN 1.286 nan 8.190 nan 0.000 0.477 428 G N 4.897 113.661 108.800 -0.061 0.000 2.141 428 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 428 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 428 G C 0.333 175.210 174.900 -0.038 0.000 0.982 428 G CA -0.025 45.047 45.100 -0.048 0.000 0.662 428 G HN 0.850 nan 8.290 nan 0.000 0.527 429 N N -1.139 117.536 118.700 -0.042 0.000 2.721 429 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 429 N C 1.431 176.929 175.510 -0.019 0.000 1.072 429 N CA 1.800 54.837 53.050 -0.021 0.000 0.710 429 N CB -1.576 36.915 38.487 0.005 0.000 0.993 429 N HN 1.445 nan 8.380 nan 0.000 0.547 430 S N -1.223 114.447 115.700 -0.051 0.000 2.607 430 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 430 S C 0.745 175.327 174.600 -0.030 0.000 0.969 430 S CA 0.214 58.393 58.200 -0.035 0.000 0.927 430 S CB 0.136 63.303 63.200 -0.055 0.000 0.772 430 S HN 0.339 nan 8.310 nan 0.000 0.533 431 N N 1.652 120.303 118.700 -0.082 0.000 2.735 431 N HA -0.124 4.616 4.740 -0.000 0.000 0.248 431 N C -1.626 173.778 175.510 -0.177 0.000 1.083 431 N CA 0.816 53.821 53.050 -0.075 0.000 0.703 431 N CB -2.177 36.414 38.487 0.173 0.000 1.005 431 N HN 0.518 nan 8.380 nan 0.000 0.550 432 N N 0.851 119.374 118.700 -0.294 0.000 2.462 432 N HA 0.312 5.051 4.740 -0.000 0.000 0.242 432 N C -0.129 175.279 175.510 -0.169 0.000 1.010 432 N CA -0.001 52.999 53.050 -0.083 0.000 0.939 432 N CB 0.313 38.838 38.487 0.063 0.000 1.127 432 N HN 0.235 nan 8.380 nan 0.000 0.509 433 Y N 0.755 121.198 120.300 0.239 0.000 2.730 433 Y HA 0.707 5.257 4.550 -0.000 0.000 0.325 433 Y C -0.212 175.823 175.900 0.224 0.000 1.132 433 Y CA -1.283 56.916 58.100 0.164 0.000 1.206 433 Y CB 1.165 39.686 38.460 0.102 0.000 1.390 433 Y HN 0.202 nan 8.280 nan 0.000 0.555 434 L N 0.788 122.186 121.223 0.291 0.000 2.676 434 L HA 0.370 4.710 4.340 -0.000 0.000 0.262 434 L C -1.952 174.999 176.870 0.135 0.000 0.932 434 L CA -0.258 54.740 54.840 0.265 0.000 0.932 434 L CB 1.286 43.576 42.059 0.386 0.000 1.355 434 L HN 0.786 nan 8.230 nan 0.000 0.421 435 H N 4.355 123.442 119.070 0.029 0.000 2.529 435 H HA 0.796 5.351 4.556 -0.000 0.000 0.348 435 H C -1.307 173.956 175.328 -0.109 0.000 1.152 435 H CA -0.551 55.476 56.048 -0.036 0.000 1.202 435 H CB 1.678 31.428 29.762 -0.019 0.000 1.562 435 H HN 0.638 nan 8.280 nan 0.000 0.515 436 L N 4.662 125.492 121.223 -0.655 0.000 2.408 436 L HA 0.284 4.624 4.340 -0.000 0.000 0.257 436 L C -0.292 176.290 176.870 -0.479 0.000 1.053 436 L CA -0.706 53.824 54.840 -0.518 0.000 0.922 436 L CB 0.937 42.718 42.059 -0.465 0.000 1.261 436 L HN 0.614 nan 8.230 nan 0.000 0.458 437 S N 1.529 117.111 115.700 -0.196 0.000 2.523 437 S HA 0.677 5.147 4.470 -0.000 0.000 0.275 437 S C -0.254 174.260 174.600 -0.143 0.000 1.281 437 S CA -0.631 57.531 58.200 -0.063 0.000 1.050 437 S CB 1.878 65.131 63.200 0.089 0.000 0.937 437 S HN 0.181 nan 8.310 nan 0.000 0.492 438 V N 3.798 123.631 119.914 -0.134 0.000 2.577 438 V HA 0.291 4.411 4.120 -0.000 0.000 0.303 438 V C -0.564 175.467 176.094 -0.105 0.000 1.042 438 V CA -0.952 61.265 62.300 -0.139 0.000 0.872 438 V CB 1.527 33.247 31.823 -0.172 0.000 0.998 438 V HN 0.859 nan 8.190 nan 0.000 0.423 439 L N 4.772 125.942 121.223 -0.089 0.000 2.698 439 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 439 L C 0.858 177.680 176.870 -0.081 0.000 1.154 439 L CA 0.500 55.296 54.840 -0.073 0.000 0.964 439 L CB -0.599 41.423 42.059 -0.063 0.000 1.272 439 L HN 0.536 nan 8.230 nan 0.000 0.483 440 R N 3.090 123.544 120.500 -0.076 0.000 2.357 440 R HA 0.290 4.630 4.340 -0.000 0.000 0.330 440 R C -0.428 175.832 176.300 -0.066 0.000 1.102 440 R CA 0.165 56.217 56.100 -0.080 0.000 0.974 440 R CB -0.416 29.844 30.300 -0.067 0.000 1.002 440 R HN 0.763 nan 8.270 nan 0.000 0.463 441 T N 0.264 114.774 114.554 -0.073 0.000 2.916 441 T HA 0.332 4.682 4.350 -0.000 0.000 0.305 441 T C -0.558 174.105 174.700 -0.061 0.000 1.119 441 T CA -1.115 60.951 62.100 -0.056 0.000 1.008 441 T CB 1.191 70.028 68.868 -0.051 0.000 1.129 441 T HN 0.519 nan 8.240 nan 0.000 0.480 442 E N 2.157 122.332 120.200 -0.042 0.000 2.168 442 E HA 0.120 4.470 4.350 -0.000 0.000 0.254 442 E C -0.053 176.516 176.600 -0.052 0.000 1.228 442 E CA -0.075 56.300 56.400 -0.042 0.000 0.956 442 E CB -0.084 29.608 29.700 -0.015 0.000 1.031 442 E HN 0.423 nan 8.360 nan 0.000 0.441 443 L N 3.868 125.049 121.223 -0.069 0.000 2.456 443 L HA 0.181 4.521 4.340 -0.000 0.000 0.272 443 L C 0.687 177.516 176.870 -0.068 0.000 1.189 443 L CA 0.403 55.200 54.840 -0.073 0.000 0.846 443 L CB 0.261 42.275 42.059 -0.075 0.000 1.111 443 L HN 0.369 nan 8.230 nan 0.000 0.475 444 R N 2.843 123.301 120.500 -0.070 0.000 2.628 444 R HA 0.379 4.719 4.340 -0.000 0.000 0.288 444 R C -2.611 173.651 176.300 -0.064 0.000 0.980 444 R CA -2.134 53.931 56.100 -0.059 0.000 0.891 444 R CB 1.475 31.749 30.300 -0.043 0.000 1.188 444 R HN 0.285 nan 8.270 nan 0.000 0.450 445 P HA -0.019 nan 4.420 nan 0.000 0.258 445 P C 0.590 177.874 177.300 -0.027 0.000 1.187 445 P CA 1.102 64.183 63.100 -0.032 0.000 0.767 445 P CB 0.465 32.158 31.700 -0.013 0.000 0.770 446 G N 2.331 111.111 108.800 -0.033 0.000 2.336 446 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.194 446 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.194 446 G C 0.245 175.122 174.900 -0.039 0.000 0.999 446 G CA -0.385 44.700 45.100 -0.025 0.000 0.669 446 G HN 0.492 nan 8.290 nan 0.000 0.482 447 E N -0.165 119.999 120.200 -0.060 0.000 3.601 447 E HA 0.603 4.953 4.350 -0.000 0.000 0.273 447 E C -0.132 176.417 176.600 -0.086 0.000 1.368 447 E CA 0.137 56.498 56.400 -0.065 0.000 1.286 447 E CB 0.799 30.458 29.700 -0.068 0.000 1.383 447 E HN 0.096 nan 8.360 nan 0.000 0.746 448 T N 0.030 114.533 114.554 -0.085 0.000 2.900 448 T HA 0.492 4.842 4.350 -0.000 0.000 0.295 448 T C -1.827 172.812 174.700 -0.103 0.000 1.044 448 T CA -0.718 61.325 62.100 -0.095 0.000 0.995 448 T CB 0.981 69.811 68.868 -0.063 0.000 1.072 448 T HN 0.203 nan 8.240 nan 0.000 0.473 449 L N 3.977 125.127 121.223 -0.122 0.000 2.362 449 L HA 0.726 5.066 4.340 -0.000 0.000 0.271 449 L C -1.116 175.701 176.870 -0.088 0.000 1.002 449 L CA -0.495 54.280 54.840 -0.108 0.000 0.818 449 L CB 1.970 43.954 42.059 -0.124 0.000 1.298 449 L HN 0.589 nan 8.230 nan 0.000 0.420 450 N N 3.453 122.106 118.700 -0.078 0.000 2.501 450 N HA 0.382 5.122 4.740 -0.000 0.000 0.245 450 N C -1.166 174.286 175.510 -0.097 0.000 0.974 450 N CA -0.264 52.745 53.050 -0.069 0.000 0.941 450 N CB 1.723 40.179 38.487 -0.052 0.000 1.122 450 N HN 0.333 nan 8.380 nan 0.000 0.507 451 V N 2.861 122.708 119.914 -0.112 0.000 2.383 451 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 451 V C 0.069 175.989 176.094 -0.289 0.000 1.036 451 V CA -0.775 61.384 62.300 -0.234 0.000 0.889 451 V CB 0.700 32.355 31.823 -0.281 0.000 0.985 451 V HN 0.479 nan 8.190 nan 0.000 0.459 452 N N 3.801 122.291 118.700 -0.350 0.000 2.473 452 N HA 0.544 5.283 4.740 -0.000 0.000 0.291 452 N C -0.979 174.231 175.510 -0.500 0.000 1.083 452 N CA -0.339 52.561 53.050 -0.250 0.000 0.951 452 N CB 1.292 39.710 38.487 -0.115 0.000 1.164 452 N HN 0.466 nan 8.380 nan 0.000 0.480 453 F N 1.486 121.347 119.950 -0.150 0.000 2.443 453 F HA 0.303 4.830 4.527 -0.000 0.000 0.369 453 F C -0.138 175.563 175.800 -0.165 0.000 1.090 453 F CA -0.871 56.970 58.000 -0.265 0.000 1.129 453 F CB 0.755 39.411 39.000 -0.572 0.000 1.367 453 F HN 0.177 nan 8.300 nan 0.000 0.465 454 L N 4.723 125.972 121.223 0.043 0.000 2.265 454 L HA 0.563 4.903 4.340 -0.000 0.000 0.288 454 L C -0.988 175.951 176.870 0.114 0.000 1.058 454 L CA -0.502 54.387 54.840 0.081 0.000 0.809 454 L CB 0.682 42.794 42.059 0.089 0.000 1.179 454 L HN 0.493 nan 8.230 nan 0.000 0.429 455 L N 5.898 127.187 121.223 0.110 0.000 2.331 455 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 455 L C -0.660 176.276 176.870 0.110 0.000 1.022 455 L CA -0.270 54.639 54.840 0.115 0.000 0.812 455 L CB 1.367 43.469 42.059 0.071 0.000 1.257 455 L HN 0.771 nan 8.230 nan 0.000 0.435 456 R N 6.441 127.031 120.500 0.150 0.000 2.539 456 R HA 0.725 5.065 4.340 -0.000 0.000 0.295 456 R C -1.688 174.713 176.300 0.168 0.000 1.138 456 R CA -0.420 55.782 56.100 0.169 0.000 0.936 456 R CB 0.845 31.291 30.300 0.244 0.000 1.182 456 R HN 0.909 nan 8.270 nan 0.000 0.459 457 M N 0.779 120.443 119.600 0.108 0.000 2.853 457 M HA 0.317 4.797 4.480 -0.000 0.000 0.273 457 M C -1.661 174.680 176.300 0.068 0.000 1.128 457 M CA -1.153 54.203 55.300 0.093 0.000 0.814 457 M CB 1.370 34.014 32.600 0.073 0.000 1.667 457 M HN 0.354 nan 8.290 nan 0.000 0.519 458 D N 1.164 121.608 120.400 0.072 0.000 2.361 458 D HA 0.146 4.786 4.640 -0.000 0.000 0.239 458 D C 0.567 176.884 176.300 0.029 0.000 1.200 458 D CA -0.293 53.738 54.000 0.052 0.000 0.915 458 D CB 0.549 41.384 40.800 0.058 0.000 1.170 458 D HN 0.830 nan 8.370 nan 0.000 0.444 459 R N -0.269 120.231 120.500 0.001 0.000 2.319 459 R HA 0.287 4.627 4.340 -0.000 0.000 0.204 459 R C 1.314 177.568 176.300 -0.077 0.000 0.954 459 R CA 0.279 56.362 56.100 -0.027 0.000 1.066 459 R CB -0.394 29.890 30.300 -0.027 0.000 0.991 459 R HN 0.363 nan 8.270 nan 0.000 0.486 460 A N 1.167 123.930 122.820 -0.094 0.000 2.067 460 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 460 A C 0.811 178.017 177.584 -0.629 0.000 1.158 460 A CA 0.806 52.667 52.037 -0.294 0.000 0.661 460 A CB -0.273 18.607 19.000 -0.200 0.000 0.801 460 A HN 0.537 nan 8.150 nan 0.000 0.452 461 H N -1.960 117.095 119.070 -0.026 0.000 3.109 461 H HA 0.065 4.621 4.556 -0.000 0.000 0.248 461 H C 0.849 176.140 175.328 -0.061 0.000 1.177 461 H CA 0.687 56.712 56.048 -0.039 0.000 0.977 461 H CB 0.051 29.795 29.762 -0.031 0.000 2.165 461 H HN 0.767 nan 8.280 nan 0.000 0.693 462 E N 0.945 121.148 120.200 0.005 0.000 2.285 462 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 462 E C 1.930 178.487 176.600 -0.072 0.000 0.997 462 E CA 1.016 57.391 56.400 -0.042 0.000 0.845 462 E CB 0.114 29.793 29.700 -0.035 0.000 0.782 462 E HN 0.209 nan 8.360 nan 0.000 0.491 463 A N 1.149 123.934 122.820 -0.058 0.000 2.119 463 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 463 A C 1.855 179.394 177.584 -0.074 0.000 1.152 463 A CA 0.855 52.854 52.037 -0.062 0.000 0.708 463 A CB -0.234 18.736 19.000 -0.050 0.000 0.805 463 A HN 0.166 nan 8.150 nan 0.000 0.460 464 K N -0.242 120.116 120.400 -0.069 0.000 2.296 464 K HA 0.084 4.404 4.320 -0.000 0.000 0.200 464 K C -0.195 176.291 176.600 -0.190 0.000 1.048 464 K CA 0.250 56.485 56.287 -0.087 0.000 0.966 464 K CB 0.025 32.505 32.500 -0.033 0.000 0.754 464 K HN 0.314 nan 8.250 nan 0.000 0.466 465 I N 2.511 122.940 120.570 -0.236 0.000 2.372 465 I HA 0.014 4.184 4.170 -0.000 0.000 0.298 465 I C 0.810 176.690 176.117 -0.396 0.000 1.137 465 I CA 0.548 61.605 61.300 -0.406 0.000 1.314 465 I CB 0.420 38.135 38.000 -0.476 0.000 1.444 465 I HN 0.058 nan 8.210 nan 0.000 0.541 466 R N 5.548 125.766 120.500 -0.470 0.000 2.404 466 R HA 0.197 4.537 4.340 -0.000 0.000 0.237 466 R C -0.674 175.553 176.300 -0.121 0.000 0.907 466 R CA 0.085 56.049 56.100 -0.226 0.000 1.063 466 R CB 0.256 30.539 30.300 -0.028 0.000 1.134 466 R HN 0.658 nan 8.270 nan 0.000 0.529 467 Y N -3.313 116.814 120.300 -0.288 0.000 2.620 467 Y HA 0.516 5.066 4.550 -0.000 0.000 0.331 467 Y C -1.273 174.377 175.900 -0.417 0.000 1.173 467 Y CA -2.094 55.854 58.100 -0.253 0.000 1.076 467 Y CB 0.168 38.580 38.460 -0.080 0.000 1.336 467 Y HN -0.218 nan 8.280 nan 0.000 0.459 468 Y N -0.066 120.274 120.300 0.066 0.000 2.602 468 Y HA 0.777 5.327 4.550 -0.000 0.000 0.330 468 Y C -0.113 175.826 175.900 0.066 0.000 1.114 468 Y CA -1.169 56.927 58.100 -0.006 0.000 1.182 468 Y CB 2.426 40.785 38.460 -0.169 0.000 1.305 468 Y HN 0.664 nan 8.280 nan 0.000 0.502 469 T N 2.027 116.691 114.554 0.184 0.000 2.934 469 T HA 0.287 4.637 4.350 -0.000 0.000 0.328 469 T C -1.437 173.447 174.700 0.305 0.000 1.068 469 T CA -0.667 61.516 62.100 0.139 0.000 1.018 469 T CB -0.625 68.223 68.868 -0.033 0.000 1.009 469 T HN 0.420 nan 8.240 nan 0.000 0.471 470 Y N 2.385 122.848 120.300 0.273 0.000 2.334 470 Y HA 0.863 5.413 4.550 -0.000 0.000 0.328 470 Y C -1.265 174.805 175.900 0.284 0.000 1.130 470 Y CA -1.706 56.582 58.100 0.313 0.000 1.163 470 Y CB 0.595 39.269 38.460 0.356 0.000 1.207 470 Y HN 0.278 nan 8.280 nan 0.000 0.471 471 L N 4.899 126.338 121.223 0.359 0.000 2.381 471 L HA 0.454 4.794 4.340 -0.000 0.000 0.268 471 L C -0.910 176.160 176.870 0.333 0.000 0.997 471 L CA -0.813 54.190 54.840 0.272 0.000 0.818 471 L CB 2.062 44.278 42.059 0.261 0.000 1.310 471 L HN 0.612 nan 8.230 nan 0.000 0.416 472 I N 3.659 124.404 120.570 0.293 0.000 2.307 472 I HA 0.344 4.513 4.170 -0.000 0.000 0.289 472 I C -0.331 175.929 176.117 0.238 0.000 1.021 472 I CA -0.440 61.051 61.300 0.318 0.000 1.224 472 I CB 1.292 39.455 38.000 0.273 0.000 1.376 472 I HN 0.481 nan 8.210 nan 0.000 0.470 473 M N 6.170 125.938 119.600 0.280 0.000 2.144 473 M HA 0.282 4.762 4.480 -0.000 0.000 0.356 473 M C -0.058 176.391 176.300 0.250 0.000 1.217 473 M CA 0.097 55.533 55.300 0.227 0.000 1.087 473 M CB 0.474 33.204 32.600 0.217 0.000 1.609 473 M HN 0.504 nan 8.290 nan 0.000 0.467 474 N N 3.078 121.881 118.700 0.172 0.000 2.549 474 N HA 0.156 4.896 4.740 -0.000 0.000 0.290 474 N C -0.831 174.772 175.510 0.154 0.000 1.122 474 N CA -0.226 52.922 53.050 0.163 0.000 0.885 474 N CB 1.029 39.541 38.487 0.041 0.000 1.455 474 N HN 0.621 nan 8.380 nan 0.000 0.521 475 K N 2.324 122.845 120.400 0.201 0.000 3.035 475 K HA -0.199 4.121 4.320 -0.000 0.000 0.262 475 K C 0.403 177.118 176.600 0.192 0.000 1.024 475 K CA 0.804 57.227 56.287 0.225 0.000 0.748 475 K CB -1.524 31.123 32.500 0.245 0.000 1.247 475 K HN 1.004 nan 8.250 nan 0.000 0.482 476 G N 0.416 109.308 108.800 0.154 0.000 2.248 476 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 476 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 476 G C -0.119 174.816 174.900 0.059 0.000 1.082 476 G CA 0.657 45.818 45.100 0.101 0.000 0.863 476 G HN 0.748 nan 8.290 nan 0.000 0.495 477 R N -1.746 118.797 120.500 0.073 0.000 2.756 477 R HA 0.705 5.045 4.340 -0.000 0.000 0.273 477 R C -1.266 175.069 176.300 0.059 0.000 1.030 477 R CA -1.335 54.790 56.100 0.041 0.000 0.887 477 R CB 0.679 30.990 30.300 0.018 0.000 1.274 477 R HN 0.228 nan 8.270 nan 0.000 0.461 478 L N 2.799 124.045 121.223 0.039 0.000 2.259 478 L HA 0.273 4.613 4.340 -0.000 0.000 0.288 478 L C 0.904 177.785 176.870 0.019 0.000 1.051 478 L CA -0.612 54.260 54.840 0.055 0.000 0.824 478 L CB 1.470 43.568 42.059 0.064 0.000 1.206 478 L HN 0.618 nan 8.230 nan 0.000 0.429 479 L N 3.459 124.686 121.223 0.007 0.000 2.068 479 L HA 0.131 4.470 4.340 -0.000 0.000 0.204 479 L C 0.641 177.491 176.870 -0.034 0.000 1.076 479 L CA 1.692 56.491 54.840 -0.067 0.000 0.753 479 L CB -0.060 41.876 42.059 -0.204 0.000 0.910 479 L HN 0.580 nan 8.230 nan 0.000 0.439 480 K N -1.100 119.318 120.400 0.030 0.000 2.562 480 K HA 0.632 4.952 4.320 -0.000 0.000 0.267 480 K C -2.052 174.594 176.600 0.078 0.000 0.938 480 K CA -0.267 56.058 56.287 0.064 0.000 0.840 480 K CB 1.795 34.357 32.500 0.104 0.000 1.390 480 K HN 0.020 nan 8.250 nan 0.000 0.428 481 A N 1.727 124.547 122.820 0.000 0.000 2.437 481 A HA 0.798 5.118 4.320 -0.000 0.000 0.293 481 A C -0.834 176.588 177.584 -0.269 0.000 1.038 481 A CA -0.089 51.866 52.037 -0.136 0.000 0.708 481 A CB 1.749 20.744 19.000 -0.008 0.000 1.251 481 A HN 0.847 nan 8.150 nan 0.000 0.409 482 G N 1.056 109.414 108.800 -0.737 0.000 2.911 482 G HA2 0.712 4.672 3.960 -0.000 0.000 0.299 482 G HA3 0.712 4.672 3.960 -0.000 0.000 0.299 482 G C -1.228 173.420 174.900 -0.421 0.000 1.283 482 G CA -0.656 44.154 45.100 -0.482 0.000 0.805 482 G HN 0.622 nan 8.290 nan 0.000 0.548 483 R N -0.683 119.809 120.500 -0.013 0.000 2.902 483 R HA 0.674 5.014 4.340 -0.000 0.000 0.258 483 R C -1.295 175.186 176.300 0.302 0.000 1.071 483 R CA -0.900 55.279 56.100 0.130 0.000 1.024 483 R CB 1.637 31.956 30.300 0.032 0.000 1.184 483 R HN 0.506 nan 8.270 nan 0.000 0.492 484 Q N 1.124 121.058 119.800 0.223 0.000 2.533 484 Q HA 0.239 4.579 4.340 -0.000 0.000 0.251 484 Q C -0.802 175.267 176.000 0.115 0.000 0.966 484 Q CA -0.587 55.279 55.803 0.104 0.000 0.714 484 Q CB 1.041 29.666 28.738 -0.189 0.000 1.284 484 Q HN 0.512 nan 8.270 nan 0.000 0.478 485 V N 1.464 121.438 119.914 0.099 0.000 3.061 485 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 485 V C -0.121 176.013 176.094 0.068 0.000 1.118 485 V CA -0.214 62.143 62.300 0.094 0.000 1.231 485 V CB 0.829 32.693 31.823 0.070 0.000 0.956 485 V HN 0.848 nan 8.190 nan 0.000 0.499 486 R N 1.889 122.412 120.500 0.037 0.000 2.522 486 R HA 0.465 4.805 4.340 -0.000 0.000 0.273 486 R C -1.374 174.917 176.300 -0.015 0.000 1.133 486 R CA -0.523 55.584 56.100 0.011 0.000 0.969 486 R CB 1.857 32.144 30.300 -0.023 0.000 1.235 486 R HN 0.915 nan 8.270 nan 0.000 0.433 487 E N 4.251 124.452 120.200 0.001 0.000 2.231 487 E HA 0.341 4.691 4.350 -0.000 0.000 0.277 487 E C -2.464 174.125 176.600 -0.018 0.000 0.999 487 E CA -2.094 54.301 56.400 -0.007 0.000 0.827 487 E CB 1.208 30.910 29.700 0.005 0.000 1.101 487 E HN 0.345 nan 8.360 nan 0.000 0.393 488 P HA 0.024 nan 4.420 nan 0.000 0.258 488 P C 0.517 177.806 177.300 -0.018 0.000 1.172 488 P CA 1.088 64.168 63.100 -0.033 0.000 0.762 488 P CB 0.423 32.103 31.700 -0.033 0.000 0.764 489 G N 2.517 111.308 108.800 -0.014 0.000 2.336 489 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.194 489 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.194 489 G C -0.059 174.845 174.900 0.007 0.000 0.999 489 G CA -0.535 44.562 45.100 -0.004 0.000 0.669 489 G HN 0.541 nan 8.290 nan 0.000 0.482 490 Q N 1.062 120.869 119.800 0.012 0.000 2.361 490 Q HA 0.411 4.750 4.340 -0.000 0.000 0.250 490 Q C -0.030 175.996 176.000 0.044 0.000 1.023 490 Q CA -0.408 55.413 55.803 0.030 0.000 0.915 490 Q CB 1.058 29.820 28.738 0.040 0.000 1.238 490 Q HN 0.203 nan 8.270 nan 0.000 0.451 491 D N 1.290 121.714 120.400 0.041 0.000 2.333 491 D HA 0.045 4.685 4.640 -0.000 0.000 0.208 491 D C -0.359 175.981 176.300 0.066 0.000 0.984 491 D CA 0.608 54.638 54.000 0.049 0.000 0.873 491 D CB 0.478 41.299 40.800 0.035 0.000 0.935 491 D HN 0.215 nan 8.370 nan 0.000 0.521 492 L N 0.793 122.055 121.223 0.065 0.000 2.516 492 L HA 0.354 4.694 4.340 -0.000 0.000 0.267 492 L C -0.982 175.938 176.870 0.083 0.000 0.957 492 L CA -1.038 53.845 54.840 0.072 0.000 0.860 492 L CB 1.817 43.903 42.059 0.045 0.000 1.265 492 L HN -0.149 nan 8.230 nan 0.000 0.403 493 V N 2.592 122.580 119.914 0.123 0.000 3.019 493 V HA 0.902 5.022 4.120 -0.000 0.000 0.317 493 V C -0.877 175.322 176.094 0.175 0.000 1.094 493 V CA -0.775 61.601 62.300 0.126 0.000 1.000 493 V CB 2.010 33.900 31.823 0.112 0.000 1.060 493 V HN 0.457 nan 8.190 nan 0.000 0.443 494 V N 2.672 122.664 119.914 0.130 0.000 2.604 494 V HA 0.554 4.674 4.120 -0.000 0.000 0.305 494 V C -0.676 175.491 176.094 0.121 0.000 1.043 494 V CA -0.466 61.904 62.300 0.118 0.000 0.888 494 V CB 1.560 33.412 31.823 0.048 0.000 0.995 494 V HN 0.885 nan 8.190 nan 0.000 0.429 495 L N 7.706 129.013 121.223 0.140 0.000 2.295 495 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 495 L C -2.509 174.355 176.870 -0.011 0.000 1.018 495 L CA -1.919 52.965 54.840 0.074 0.000 0.841 495 L CB 1.560 43.707 42.059 0.148 0.000 1.218 495 L HN 0.381 nan 8.230 nan 0.000 0.424 496 P HA 0.102 nan 4.420 nan 0.000 0.264 496 P C -0.913 176.361 177.300 -0.043 0.000 1.537 496 P CA -0.132 62.953 63.100 -0.026 0.000 1.189 496 P CB 0.054 31.750 31.700 -0.006 0.000 1.687 497 L N 2.796 123.975 121.223 -0.074 0.000 2.276 497 L HA 0.335 4.674 4.340 -0.000 0.000 0.286 497 L C -0.004 176.794 176.870 -0.121 0.000 1.061 497 L CA 0.207 54.989 54.840 -0.097 0.000 0.807 497 L CB 0.831 42.807 42.059 -0.137 0.000 1.177 497 L HN 0.025 nan 8.230 nan 0.000 0.429 498 S N 6.604 122.256 115.700 -0.080 0.000 2.404 498 S HA 0.479 4.949 4.470 -0.000 0.000 0.309 498 S C -0.101 174.408 174.600 -0.151 0.000 1.076 498 S CA -0.563 57.589 58.200 -0.079 0.000 1.095 498 S CB 0.197 63.398 63.200 0.001 0.000 0.972 498 S HN 0.385 nan 8.310 nan 0.000 0.484 499 I N 4.690 125.074 120.570 -0.309 0.000 2.452 499 I HA 0.139 4.309 4.170 -0.000 0.000 0.287 499 I C 1.450 177.519 176.117 -0.080 0.000 1.079 499 I CA 0.182 61.177 61.300 -0.508 0.000 1.387 499 I CB -0.164 37.530 38.000 -0.510 0.000 1.404 499 I HN 0.626 nan 8.210 nan 0.000 0.522 500 T N 1.662 116.362 114.554 0.242 0.000 2.850 500 T HA 0.279 4.629 4.350 -0.000 0.000 0.269 500 T C 1.142 175.940 174.700 0.163 0.000 1.075 500 T CA 0.285 62.499 62.100 0.190 0.000 0.987 500 T CB 0.763 69.734 68.868 0.172 0.000 1.889 500 T HN 0.586 nan 8.240 nan 0.000 0.584 501 T N -2.333 112.277 114.554 0.093 0.000 3.086 501 T HA 0.192 4.541 4.350 -0.000 0.000 0.250 501 T C 0.645 175.365 174.700 0.033 0.000 1.074 501 T CA 0.033 62.165 62.100 0.052 0.000 0.988 501 T CB -0.291 68.601 68.868 0.039 0.000 0.988 501 T HN 0.415 nan 8.240 nan 0.000 0.530 502 D N 1.162 121.561 120.400 -0.003 0.000 2.162 502 D HA 0.132 4.772 4.640 -0.000 0.000 0.205 502 D C 1.402 177.627 176.300 -0.125 0.000 0.964 502 D CA 0.419 54.356 54.000 -0.105 0.000 0.847 502 D CB -0.499 40.152 40.800 -0.248 0.000 0.988 502 D HN 0.422 nan 8.370 nan 0.000 0.480 503 F N 1.430 121.319 119.950 -0.102 0.000 2.236 503 F HA -0.083 4.444 4.527 -0.000 0.000 0.302 503 F C 1.218 176.999 175.800 -0.033 0.000 1.073 503 F CA 0.289 58.223 58.000 -0.109 0.000 1.336 503 F CB -0.666 38.132 39.000 -0.336 0.000 1.040 503 F HN -0.116 nan 8.300 nan 0.000 0.507 504 I N 1.953 122.540 120.570 0.029 0.000 2.752 504 I HA -0.105 4.065 4.170 -0.000 0.000 0.289 504 I C -1.394 174.569 176.117 -0.257 0.000 1.197 504 I CA -1.154 60.009 61.300 -0.227 0.000 1.432 504 I CB 0.312 38.040 38.000 -0.453 0.000 1.359 504 I HN -0.115 nan 8.210 nan 0.000 0.571 505 P HA -0.022 nan 4.420 nan 0.000 0.211 505 P C 0.020 177.314 177.300 -0.010 0.000 1.188 505 P CA 0.605 63.551 63.100 -0.257 0.000 0.904 505 P CB 0.197 31.830 31.700 -0.111 0.000 0.765 506 S N -0.696 115.081 115.700 0.128 0.000 2.704 506 S HA 0.756 5.226 4.470 -0.000 0.000 0.305 506 S C -0.735 174.058 174.600 0.322 0.000 1.107 506 S CA -0.721 57.562 58.200 0.138 0.000 0.993 506 S CB 1.021 64.336 63.200 0.192 0.000 1.110 506 S HN 0.160 nan 8.310 nan 0.000 0.534 507 F N -1.850 118.133 119.950 0.055 0.000 2.641 507 F HA 0.750 5.277 4.527 -0.000 0.000 0.308 507 F C -0.901 174.982 175.800 0.138 0.000 1.105 507 F CA -1.195 56.903 58.000 0.164 0.000 0.964 507 F CB 1.265 40.448 39.000 0.305 0.000 1.294 507 F HN 0.613 nan 8.300 nan 0.000 0.442 508 R N 2.567 123.211 120.500 0.241 0.000 2.668 508 R HA 0.711 5.051 4.340 -0.000 0.000 0.279 508 R C -1.663 174.778 176.300 0.233 0.000 0.976 508 R CA -1.215 54.971 56.100 0.143 0.000 0.978 508 R CB 2.140 32.559 30.300 0.198 0.000 1.133 508 R HN 0.752 nan 8.270 nan 0.000 0.484 509 L N 3.841 125.145 121.223 0.136 0.000 2.372 509 L HA 0.412 4.752 4.340 -0.000 0.000 0.274 509 L C -1.118 175.827 176.870 0.125 0.000 0.988 509 L CA -0.700 54.258 54.840 0.197 0.000 0.833 509 L CB 1.753 43.913 42.059 0.169 0.000 1.236 509 L HN 0.497 nan 8.230 nan 0.000 0.410 510 V N 2.589 122.608 119.914 0.176 0.000 2.384 510 V HA 0.954 5.074 4.120 -0.000 0.000 0.287 510 V C -0.056 176.179 176.094 0.234 0.000 1.020 510 V CA -0.512 61.849 62.300 0.101 0.000 0.850 510 V CB 1.099 32.923 31.823 0.002 0.000 0.987 510 V HN 0.890 nan 8.190 nan 0.000 0.436 511 A N 5.321 128.274 122.820 0.223 0.000 2.356 511 A HA 0.952 5.272 4.320 -0.000 0.000 0.310 511 A C -1.018 176.786 177.584 0.367 0.000 1.075 511 A CA -0.665 51.606 52.037 0.390 0.000 0.746 511 A CB 1.468 20.804 19.000 0.559 0.000 1.221 511 A HN 1.828 nan 8.150 nan 0.000 0.443 512 Y N 0.332 120.792 120.300 0.267 0.000 2.581 512 Y HA 0.816 5.366 4.550 -0.000 0.000 0.345 512 Y C -1.279 174.765 175.900 0.239 0.000 1.036 512 Y CA -1.750 56.440 58.100 0.149 0.000 1.042 512 Y CB 1.152 39.640 38.460 0.047 0.000 1.289 512 Y HN 0.915 nan 8.280 nan 0.000 0.471 513 Y N -0.613 119.694 120.300 0.011 0.000 2.524 513 Y HA 0.767 5.317 4.550 -0.000 0.000 0.347 513 Y C -0.989 174.827 175.900 -0.141 0.000 1.005 513 Y CA -1.225 56.730 58.100 -0.242 0.000 1.025 513 Y CB 1.787 40.101 38.460 -0.244 0.000 1.275 513 Y HN 0.913 nan 8.280 nan 0.000 0.460 514 T N 4.981 119.452 114.554 -0.139 0.000 2.887 514 T HA 0.832 5.182 4.350 -0.000 0.000 0.288 514 T C -1.115 173.514 174.700 -0.117 0.000 1.021 514 T CA -0.520 61.504 62.100 -0.127 0.000 1.000 514 T CB 0.793 69.565 68.868 -0.160 0.000 1.034 514 T HN 1.090 nan 8.240 nan 0.000 0.467 515 L N 0.967 122.142 121.223 -0.080 0.000 2.933 515 L HA 0.770 5.109 4.340 -0.000 0.000 0.271 515 L C -1.917 174.897 176.870 -0.093 0.000 1.071 515 L CA -1.404 53.389 54.840 -0.079 0.000 0.938 515 L CB 1.534 43.565 42.059 -0.047 0.000 1.534 515 L HN 0.458 nan 8.230 nan 0.000 0.396 516 I N 1.764 122.277 120.570 -0.094 0.000 2.412 516 I HA 0.691 4.861 4.170 -0.000 0.000 0.279 516 I C 0.676 176.638 176.117 -0.258 0.000 1.063 516 I CA 0.262 61.489 61.300 -0.122 0.000 1.193 516 I CB 0.840 38.802 38.000 -0.063 0.000 1.370 516 I HN 0.762 nan 8.210 nan 0.000 0.479 517 G N 2.786 111.369 108.800 -0.361 0.000 2.642 517 G HA2 0.725 4.685 3.960 -0.000 0.000 0.291 517 G HA3 0.725 4.685 3.960 -0.000 0.000 0.291 517 G C 0.465 175.133 174.900 -0.386 0.000 1.345 517 G CA -0.035 44.650 45.100 -0.693 0.000 1.043 517 G HN 0.814 nan 8.290 nan 0.000 0.528 518 A N -0.673 121.965 122.820 -0.302 0.000 5.093 518 A HA -0.192 4.128 4.320 -0.000 0.000 0.329 518 A C 1.296 178.853 177.584 -0.045 0.000 1.836 518 A CA 2.301 54.279 52.037 -0.099 0.000 0.707 518 A CB -1.712 17.237 19.000 -0.086 0.000 1.389 518 A HN 2.288 nan 8.150 nan 0.000 0.383 519 S N -0.163 115.510 115.700 -0.046 0.000 2.279 519 S HA 0.542 5.012 4.470 -0.000 0.000 0.176 519 S C 0.782 175.365 174.600 -0.029 0.000 1.554 519 S CA 1.101 59.289 58.200 -0.019 0.000 1.242 519 S CB -0.178 63.017 63.200 -0.007 0.000 1.163 519 S HN 2.709 nan 8.310 nan 0.000 0.449 520 G N 2.789 111.568 108.800 -0.035 0.000 2.168 520 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 520 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 520 G C -0.041 174.830 174.900 -0.049 0.000 0.997 520 G CA 0.754 45.833 45.100 -0.035 0.000 0.708 520 G HN 0.740 nan 8.290 nan 0.000 0.520 521 Q N -0.442 119.315 119.800 -0.071 0.000 2.274 521 Q HA 0.554 4.894 4.340 -0.000 0.000 0.256 521 Q C 0.414 176.355 176.000 -0.098 0.000 0.927 521 Q CA -1.009 54.748 55.803 -0.077 0.000 0.939 521 Q CB 0.562 29.252 28.738 -0.081 0.000 1.201 521 Q HN 0.250 nan 8.270 nan 0.000 0.426 522 R N 3.234 123.682 120.500 -0.086 0.000 2.248 522 R HA 0.123 4.463 4.340 -0.000 0.000 0.328 522 R C -1.043 175.173 176.300 -0.141 0.000 1.067 522 R CA 0.137 56.179 56.100 -0.097 0.000 0.924 522 R CB 0.584 30.845 30.300 -0.065 0.000 1.013 522 R HN 0.679 nan 8.270 nan 0.000 0.454 523 E N 3.054 123.155 120.200 -0.165 0.000 2.195 523 E HA 0.454 4.804 4.350 -0.000 0.000 0.271 523 E C -1.326 175.109 176.600 -0.276 0.000 0.923 523 E CA -0.987 55.274 56.400 -0.232 0.000 0.790 523 E CB 1.499 31.085 29.700 -0.189 0.000 1.155 523 E HN 0.361 nan 8.360 nan 0.000 0.402 524 V N 4.299 123.946 119.914 -0.446 0.000 2.483 524 V HA 0.379 4.498 4.120 -0.000 0.000 0.297 524 V C -0.757 175.104 176.094 -0.387 0.000 1.027 524 V CA -0.761 61.277 62.300 -0.437 0.000 0.855 524 V CB 1.741 33.241 31.823 -0.538 0.000 0.995 524 V HN 0.495 nan 8.190 nan 0.000 0.424 525 V N 3.975 123.646 119.914 -0.406 0.000 2.531 525 V HA 0.921 5.041 4.120 -0.000 0.000 0.301 525 V C 0.202 176.151 176.094 -0.241 0.000 1.034 525 V CA -0.204 61.906 62.300 -0.317 0.000 0.865 525 V CB 1.570 33.077 31.823 -0.527 0.000 0.995 525 V HN 1.041 nan 8.190 nan 0.000 0.424 526 A N 3.506 126.320 122.820 -0.011 0.000 2.437 526 A HA 1.007 5.327 4.320 -0.000 0.000 0.288 526 A C -1.380 176.136 177.584 -0.112 0.000 1.201 526 A CA -0.487 51.525 52.037 -0.041 0.000 0.795 526 A CB 2.074 20.929 19.000 -0.242 0.000 1.359 526 A HN 0.758 nan 8.150 nan 0.000 0.435 527 D N -1.361 118.961 120.400 -0.129 0.000 2.745 527 D HA 0.493 5.133 4.640 -0.000 0.000 0.221 527 D C -0.931 175.292 176.300 -0.129 0.000 1.237 527 D CA 0.377 54.291 54.000 -0.143 0.000 0.781 527 D CB 1.694 42.419 40.800 -0.126 0.000 1.575 527 D HN 0.828 nan 8.370 nan 0.000 0.482 528 S N 0.852 116.480 115.700 -0.119 0.000 2.600 528 S HA 0.881 5.351 4.470 -0.000 0.000 0.300 528 S C -1.133 173.423 174.600 -0.073 0.000 1.087 528 S CA -0.789 57.364 58.200 -0.078 0.000 0.965 528 S CB 2.017 65.184 63.200 -0.056 0.000 1.089 528 S HN 0.794 nan 8.310 nan 0.000 0.496 529 V N 1.743 121.626 119.914 -0.052 0.000 2.752 529 V HA 0.600 4.720 4.120 -0.000 0.000 0.302 529 V C -2.185 173.889 176.094 -0.034 0.000 1.133 529 V CA -0.607 61.653 62.300 -0.067 0.000 0.919 529 V CB 1.599 33.320 31.823 -0.171 0.000 1.026 529 V HN 1.072 nan 8.190 nan 0.000 0.429 530 W N 7.261 128.455 121.300 -0.177 0.000 2.361 530 W HA 0.747 5.407 4.660 -0.000 0.000 0.309 530 W C -1.232 175.110 176.519 -0.294 0.000 1.122 530 W CA -0.399 56.817 57.345 -0.214 0.000 1.208 530 W CB 1.513 30.898 29.460 -0.126 0.000 1.246 530 W HN 0.516 nan 8.180 nan 0.000 0.490 531 V N 6.575 125.785 119.914 -1.172 0.000 2.588 531 V HA 0.196 4.316 4.120 -0.000 0.000 0.304 531 V C -0.749 174.554 176.094 -1.319 0.000 1.042 531 V CA -0.848 60.727 62.300 -1.208 0.000 0.877 531 V CB 1.681 32.882 31.823 -1.038 0.000 0.996 531 V HN 0.522 nan 8.190 nan 0.000 0.425 532 D N 2.847 122.605 120.400 -1.070 0.000 2.175 532 D HA 0.625 5.265 4.640 -0.000 0.000 0.248 532 D C -0.725 175.401 176.300 -0.290 0.000 1.047 532 D CA -0.149 53.456 54.000 -0.659 0.000 0.883 532 D CB 1.886 42.341 40.800 -0.575 0.000 1.180 532 D HN 0.307 nan 8.370 nan 0.000 0.438 533 V N 2.706 122.539 119.914 -0.135 0.000 2.769 533 V HA 0.299 4.419 4.120 -0.000 0.000 0.312 533 V C -0.024 176.008 176.094 -0.103 0.000 1.058 533 V CA -1.141 61.116 62.300 -0.073 0.000 0.952 533 V CB 1.662 33.488 31.823 0.005 0.000 1.019 533 V HN 0.533 nan 8.190 nan 0.000 0.445 534 K N 2.770 123.116 120.400 -0.089 0.000 2.320 534 K HA -0.038 4.281 4.320 -0.000 0.000 0.273 534 K C -0.329 176.185 176.600 -0.143 0.000 1.146 534 K CA 0.367 56.603 56.287 -0.085 0.000 1.144 534 K CB -0.836 31.629 32.500 -0.059 0.000 0.878 534 K HN 0.551 nan 8.250 nan 0.000 0.458 535 D N 2.725 123.026 120.400 -0.166 0.000 2.412 535 D HA 0.050 4.690 4.640 -0.000 0.000 0.257 535 D C -0.163 176.012 176.300 -0.208 0.000 1.217 535 D CA 0.434 54.243 54.000 -0.318 0.000 0.897 535 D CB 0.375 41.042 40.800 -0.222 0.000 1.132 535 D HN 0.620 nan 8.370 nan 0.000 0.493 536 S N 0.639 116.182 115.700 -0.262 0.000 2.688 536 S HA 0.436 4.906 4.470 -0.000 0.000 0.275 536 S C -0.404 174.298 174.600 0.171 0.000 1.175 536 S CA -0.986 57.215 58.200 -0.000 0.000 0.818 536 S CB 0.598 63.790 63.200 -0.013 0.000 1.157 536 S HN 0.449 nan 8.310 nan 0.000 0.482 537 C N 1.772 121.198 119.300 0.210 0.000 2.657 537 C HA 0.243 4.703 4.460 -0.000 0.000 0.420 537 C C 2.415 177.527 174.990 0.202 0.000 1.323 537 C CA -0.378 58.787 59.018 0.245 0.000 1.894 537 C CB -0.338 27.471 27.740 0.115 0.000 2.681 537 C HN 0.675 nan 8.230 nan 0.000 0.613 538 V N 3.444 123.515 119.914 0.262 0.000 2.287 538 V HA -0.083 4.037 4.120 -0.000 0.000 0.248 538 V C 1.876 178.028 176.094 0.096 0.000 1.053 538 V CA 2.619 65.029 62.300 0.182 0.000 1.027 538 V CB -1.227 30.707 31.823 0.186 0.000 0.646 538 V HN 1.132 nan 8.190 nan 0.000 0.447 539 G N -1.104 107.741 108.800 0.076 0.000 2.930 539 G HA2 0.497 4.457 3.960 -0.000 0.000 0.209 539 G HA3 0.497 4.457 3.960 -0.000 0.000 0.209 539 G C -0.096 174.829 174.900 0.042 0.000 2.018 539 G CA 0.721 45.852 45.100 0.050 0.000 0.751 539 G HN 0.780 nan 8.290 nan 0.000 0.770 540 S N -1.687 114.032 115.700 0.032 0.000 2.586 540 S HA 0.567 5.037 4.470 -0.000 0.000 0.277 540 S C -1.942 172.668 174.600 0.015 0.000 1.131 540 S CA -0.604 57.611 58.200 0.025 0.000 0.848 540 S CB 1.829 65.043 63.200 0.024 0.000 1.091 540 S HN 1.341 nan 8.310 nan 0.000 0.453 541 L N 1.611 122.840 121.223 0.010 0.000 2.753 541 L HA 0.690 5.030 4.340 -0.000 0.000 0.259 541 L C -1.955 174.917 176.870 0.003 0.000 0.958 541 L CA -0.082 54.760 54.840 0.003 0.000 0.955 541 L CB 1.447 43.500 42.059 -0.010 0.000 1.317 541 L HN 0.806 nan 8.230 nan 0.000 0.436 542 V N 4.788 124.706 119.914 0.006 0.000 2.680 542 V HA 0.714 4.834 4.120 -0.000 0.000 0.309 542 V C -0.650 175.448 176.094 0.006 0.000 1.052 542 V CA -0.748 61.555 62.300 0.006 0.000 0.908 542 V CB 2.235 34.062 31.823 0.007 0.000 1.001 542 V HN 0.378 nan 8.190 nan 0.000 0.431 543 V N 5.327 125.245 119.914 0.006 0.000 2.357 543 V HA 0.438 4.558 4.120 -0.000 0.000 0.281 543 V C 0.021 176.120 176.094 0.008 0.000 1.015 543 V CA -0.713 61.592 62.300 0.008 0.000 0.827 543 V CB 1.193 33.021 31.823 0.009 0.000 1.018 543 V HN 1.023 nan 8.190 nan 0.000 0.432 544 K N 1.947 122.352 120.400 0.008 0.000 2.354 544 K HA 0.785 5.104 4.320 -0.000 0.000 0.238 544 K C -0.003 176.603 176.600 0.010 0.000 1.068 544 K CA -0.694 55.598 56.287 0.008 0.000 0.925 544 K CB 1.623 34.127 32.500 0.007 0.000 1.286 544 K HN 0.361 nan 8.250 nan 0.000 0.500 545 S N -1.304 114.402 115.700 0.010 0.000 2.565 545 S HA 0.279 4.749 4.470 -0.000 0.000 0.274 545 S C 0.866 175.472 174.600 0.010 0.000 1.309 545 S CA -0.290 57.916 58.200 0.011 0.000 1.043 545 S CB 0.585 63.792 63.200 0.011 0.000 0.939 545 S HN 0.720 nan 8.310 nan 0.000 0.504 546 G N 2.655 111.461 108.800 0.010 0.000 2.683 546 G HA2 0.089 4.049 3.960 -0.000 0.000 0.213 546 G HA3 0.089 4.049 3.960 -0.000 0.000 0.213 546 G C 0.508 175.413 174.900 0.008 0.000 1.142 546 G CA 0.035 45.140 45.100 0.009 0.000 0.793 546 G HN 0.610 nan 8.290 nan 0.000 0.534 547 Q N 0.762 120.567 119.800 0.008 0.000 2.443 547 Q HA 0.339 4.679 4.340 -0.000 0.000 0.232 547 Q C 0.963 176.967 176.000 0.007 0.000 1.026 547 Q CA 0.083 55.890 55.803 0.007 0.000 0.924 547 Q CB 1.013 29.755 28.738 0.008 0.000 1.256 547 Q HN 0.207 nan 8.270 nan 0.000 0.519 548 S N 1.214 116.918 115.700 0.006 0.000 3.697 548 S HA 0.128 4.598 4.470 -0.000 0.000 0.207 548 S C 0.564 175.168 174.600 0.006 0.000 1.459 548 S CA 0.259 58.462 58.200 0.005 0.000 1.122 548 S CB -0.346 62.857 63.200 0.005 0.000 1.311 548 S HN 0.795 nan 8.310 nan 0.000 0.487 549 E N 0.864 121.068 120.200 0.007 0.000 3.871 549 E HA -0.450 3.900 4.350 -0.000 0.000 0.238 549 E C 0.114 176.718 176.600 0.008 0.000 1.237 549 E CA 1.981 58.386 56.400 0.007 0.000 2.074 549 E CB -1.953 27.751 29.700 0.007 0.000 1.805 549 E HN 0.589 nan 8.360 nan 0.000 0.314 550 D N 0.036 120.440 120.400 0.006 0.000 3.393 550 D HA -0.243 4.397 4.640 -0.000 0.000 0.178 550 D C 0.748 177.052 176.300 0.007 0.000 1.201 550 D CA 2.463 56.466 54.000 0.006 0.000 1.086 550 D CB -1.045 39.758 40.800 0.005 0.000 0.568 550 D HN 0.717 nan 8.370 nan 0.000 0.637 551 R N 0.334 120.838 120.500 0.007 0.000 3.067 551 R HA 0.634 4.973 4.340 -0.000 0.000 0.222 551 R C -0.143 176.163 176.300 0.010 0.000 1.551 551 R CA -0.858 55.247 56.100 0.008 0.000 1.034 551 R CB 0.400 30.703 30.300 0.005 0.000 1.889 551 R HN 0.378 nan 8.270 nan 0.000 0.526 552 Q N 0.813 120.620 119.800 0.011 0.000 2.259 552 Q HA 0.328 4.668 4.340 -0.000 0.000 0.249 552 Q C -2.088 173.917 176.000 0.008 0.000 0.914 552 Q CA -1.967 53.845 55.803 0.015 0.000 0.904 552 Q CB 1.044 29.794 28.738 0.021 0.000 1.213 552 Q HN 0.391 nan 8.270 nan 0.000 0.428 553 P HA -0.001 nan 4.420 nan 0.000 0.271 553 P C -1.068 176.231 177.300 -0.002 0.000 1.238 553 P CA -0.168 62.935 63.100 0.006 0.000 0.794 553 P CB 0.506 32.212 31.700 0.011 0.000 0.959 554 V N 2.166 122.077 119.914 -0.005 0.000 2.555 554 V HA 0.295 4.415 4.120 -0.000 0.000 0.302 554 V C -2.232 173.856 176.094 -0.011 0.000 1.038 554 V CA -1.954 60.338 62.300 -0.013 0.000 0.887 554 V CB 1.380 33.194 31.823 -0.015 0.000 0.991 554 V HN 0.510 nan 8.190 nan 0.000 0.434 555 P HA 0.170 nan 4.420 nan 0.000 0.253 555 P C 0.663 177.958 177.300 -0.009 0.000 1.170 555 P CA 1.346 64.439 63.100 -0.012 0.000 0.806 555 P CB -0.102 31.585 31.700 -0.021 0.000 0.775 556 G N 1.721 110.519 108.800 -0.003 0.000 2.226 556 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.176 556 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.176 556 G C -0.390 174.509 174.900 -0.002 0.000 1.042 556 G CA -0.551 44.548 45.100 -0.002 0.000 0.732 556 G HN 0.639 nan 8.290 nan 0.000 0.494 557 Q N -0.439 119.361 119.800 0.000 0.000 2.394 557 Q HA 0.584 4.924 4.340 -0.000 0.000 0.273 557 Q C -0.105 175.898 176.000 0.004 0.000 1.089 557 Q CA -0.803 55.000 55.803 0.001 0.000 0.812 557 Q CB 1.355 30.093 28.738 0.000 0.000 1.353 557 Q HN 0.451 nan 8.270 nan 0.000 0.438 558 Q N 2.787 122.589 119.800 0.003 0.000 2.293 558 Q HA 0.450 4.790 4.340 -0.000 0.000 0.251 558 Q C -0.554 175.449 176.000 0.006 0.000 0.930 558 Q CA 0.003 55.808 55.803 0.005 0.000 0.893 558 Q CB 1.290 30.031 28.738 0.004 0.000 1.215 558 Q HN 0.581 nan 8.270 nan 0.000 0.425 559 M N -1.164 118.441 119.600 0.008 0.000 2.378 559 M HA 0.480 4.960 4.480 -0.000 0.000 0.289 559 M C -1.090 175.215 176.300 0.009 0.000 1.136 559 M CA -0.871 54.435 55.300 0.009 0.000 0.917 559 M CB 2.083 34.690 32.600 0.011 0.000 1.669 559 M HN 0.191 nan 8.290 nan 0.000 0.461 560 T N 3.525 118.084 114.554 0.009 0.000 2.814 560 T HA 0.427 4.777 4.350 -0.000 0.000 0.297 560 T C -0.661 174.046 174.700 0.010 0.000 0.956 560 T CA -0.242 61.863 62.100 0.009 0.000 1.123 560 T CB 0.543 69.416 68.868 0.008 0.000 0.902 560 T HN 0.542 nan 8.240 nan 0.000 0.528 561 L N 4.708 125.937 121.223 0.011 0.000 2.313 561 L HA 0.411 4.751 4.340 -0.000 0.000 0.273 561 L C 0.136 177.013 176.870 0.012 0.000 1.028 561 L CA -0.444 54.403 54.840 0.012 0.000 0.871 561 L CB 0.510 42.577 42.059 0.014 0.000 1.242 561 L HN 0.466 nan 8.230 nan 0.000 0.434 562 K N 5.078 125.485 120.400 0.011 0.000 2.350 562 K HA 0.409 4.729 4.320 -0.000 0.000 0.279 562 K C -0.992 175.615 176.600 0.012 0.000 1.027 562 K CA -0.142 56.152 56.287 0.011 0.000 0.969 562 K CB 0.507 33.014 32.500 0.011 0.000 0.954 562 K HN 0.663 nan 8.250 nan 0.000 0.474 563 I N 4.548 125.125 120.570 0.012 0.000 2.448 563 I HA 0.130 4.300 4.170 -0.000 0.000 0.281 563 I C -0.682 175.444 176.117 0.014 0.000 1.027 563 I CA -0.484 60.823 61.300 0.012 0.000 1.111 563 I CB 1.798 39.805 38.000 0.011 0.000 1.236 563 I HN 0.599 nan 8.210 nan 0.000 0.452 564 E N 5.502 125.710 120.200 0.013 0.000 1.998 564 E HA 0.422 4.772 4.350 -0.000 0.000 0.257 564 E C 0.257 176.867 176.600 0.017 0.000 1.038 564 E CA -0.324 56.086 56.400 0.016 0.000 0.869 564 E CB 1.436 31.145 29.700 0.015 0.000 1.135 564 E HN 0.770 nan 8.360 nan 0.000 0.430 565 G N 1.930 110.742 108.800 0.020 0.000 3.108 565 G HA2 0.252 4.212 3.960 -0.000 0.000 0.268 565 G HA3 0.252 4.212 3.960 -0.000 0.000 0.268 565 G C -0.598 174.321 174.900 0.031 0.000 1.361 565 G CA -0.647 44.464 45.100 0.018 0.000 1.047 565 G HN 0.219 nan 8.290 nan 0.000 0.540 566 D N -0.523 119.895 120.400 0.029 0.000 2.313 566 D HA 0.308 4.948 4.640 -0.000 0.000 0.247 566 D C 0.055 176.396 176.300 0.067 0.000 1.094 566 D CA 0.066 54.097 54.000 0.052 0.000 0.925 566 D CB 1.166 41.990 40.800 0.040 0.000 1.188 566 D HN 0.401 nan 8.370 nan 0.000 0.430 567 H N -0.562 118.513 119.070 0.009 0.000 2.707 567 H HA 0.359 4.915 4.556 -0.000 0.000 0.359 567 H C 1.369 176.704 175.328 0.010 0.000 1.113 567 H CA 1.057 57.110 56.048 0.009 0.000 1.422 567 H CB 0.565 30.333 29.762 0.009 0.000 1.443 567 H HN 0.555 nan 8.280 nan 0.000 0.591 568 G N 2.214 110.592 108.800 -0.702 0.000 2.166 568 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 568 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 568 G C 0.137 174.941 174.900 -0.161 0.000 0.986 568 G CA 0.447 45.297 45.100 -0.418 0.000 0.683 568 G HN 0.929 nan 8.290 nan 0.000 0.527 569 A N -0.314 122.437 122.820 -0.116 0.000 2.305 569 A HA 0.807 5.127 4.320 -0.000 0.000 0.322 569 A C 0.466 178.025 177.584 -0.041 0.000 1.187 569 A CA -0.106 51.901 52.037 -0.050 0.000 0.825 569 A CB 0.682 19.668 19.000 -0.025 0.000 1.164 569 A HN 0.712 nan 8.150 nan 0.000 0.498 570 R N 2.513 123.003 120.500 -0.017 0.000 2.221 570 R HA 0.500 4.840 4.340 -0.000 0.000 0.327 570 R C -1.474 174.835 176.300 0.015 0.000 1.033 570 R CA -0.202 55.898 56.100 -0.001 0.000 0.887 570 R CB 0.593 30.900 30.300 0.013 0.000 1.057 570 R HN 0.445 nan 8.270 nan 0.000 0.455 571 V N 6.383 126.304 119.914 0.012 0.000 2.394 571 V HA 0.256 4.376 4.120 -0.000 0.000 0.282 571 V C -0.106 176.009 176.094 0.036 0.000 1.031 571 V CA -0.736 61.577 62.300 0.020 0.000 0.881 571 V CB 1.478 33.307 31.823 0.009 0.000 0.982 571 V HN 0.627 nan 8.190 nan 0.000 0.451 572 V N 4.708 124.659 119.914 0.062 0.000 2.398 572 V HA 0.671 4.791 4.120 -0.000 0.000 0.286 572 V C -0.330 175.803 176.094 0.065 0.000 1.026 572 V CA -0.570 61.772 62.300 0.071 0.000 0.868 572 V CB 1.149 33.042 31.823 0.117 0.000 0.982 572 V HN 0.635 nan 8.190 nan 0.000 0.443 573 L N 4.625 125.876 121.223 0.047 0.000 2.365 573 L HA 0.895 5.235 4.340 -0.000 0.000 0.267 573 L C -0.250 176.652 176.870 0.052 0.000 1.033 573 L CA -1.071 53.796 54.840 0.045 0.000 0.802 573 L CB 1.955 44.034 42.059 0.033 0.000 1.267 573 L HN 0.639 nan 8.230 nan 0.000 0.457 574 V N 0.720 120.668 119.914 0.056 0.000 2.812 574 V HA 0.571 4.691 4.120 -0.000 0.000 0.280 574 V C -1.187 174.950 176.094 0.072 0.000 1.324 574 V CA -0.311 62.027 62.300 0.064 0.000 0.933 574 V CB 1.585 33.456 31.823 0.080 0.000 1.091 574 V HN 0.843 nan 8.190 nan 0.000 0.455 575 A N 6.271 129.130 122.820 0.064 0.000 2.290 575 A HA 0.912 5.232 4.320 -0.000 0.000 0.310 575 A C -0.773 176.862 177.584 0.086 0.000 1.202 575 A CA -0.447 51.634 52.037 0.073 0.000 0.837 575 A CB 1.577 20.611 19.000 0.057 0.000 1.139 575 A HN 1.420 nan 8.150 nan 0.000 0.509 576 V N 2.577 122.568 119.914 0.128 0.000 2.709 576 V HA 0.248 4.368 4.120 -0.000 0.000 0.308 576 V C -0.607 175.600 176.094 0.188 0.000 1.062 576 V CA -0.853 61.530 62.300 0.138 0.000 0.901 576 V CB 1.996 33.919 31.823 0.167 0.000 1.003 576 V HN 0.985 nan 8.190 nan 0.000 0.425 577 D N 3.037 123.511 120.400 0.123 0.000 2.425 577 D HA 0.107 4.747 4.640 -0.000 0.000 0.247 577 D C 1.129 177.565 176.300 0.226 0.000 1.147 577 D CA 0.226 54.310 54.000 0.140 0.000 0.879 577 D CB 1.197 42.052 40.800 0.091 0.000 1.179 577 D HN 0.512 nan 8.370 nan 0.000 0.456 578 K N 2.237 122.790 120.400 0.255 0.000 2.280 578 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 578 K C 1.811 178.576 176.600 0.274 0.000 1.047 578 K CA 0.895 57.388 56.287 0.344 0.000 0.942 578 K CB 0.025 32.621 32.500 0.160 0.000 0.739 578 K HN 0.554 nan 8.250 nan 0.000 0.457 579 G N 0.840 109.730 108.800 0.150 0.000 2.470 579 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 579 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 579 G C 1.444 176.350 174.900 0.010 0.000 1.121 579 G CA 0.387 45.532 45.100 0.075 0.000 0.766 579 G HN 0.100 nan 8.290 nan 0.000 0.553 580 V N 0.100 119.990 119.914 -0.040 0.000 2.453 580 V HA -0.018 4.102 4.120 -0.000 0.000 0.247 580 V C 2.182 178.079 176.094 -0.328 0.000 1.048 580 V CA 1.040 63.186 62.300 -0.256 0.000 1.049 580 V CB -0.573 30.993 31.823 -0.429 0.000 0.672 580 V HN 0.362 nan 8.190 nan 0.000 0.457 581 F N -0.582 119.333 119.950 -0.059 0.000 2.802 581 F HA 0.029 4.556 4.527 -0.000 0.000 0.300 581 F C 1.988 177.752 175.800 -0.060 0.000 1.168 581 F CA 0.408 58.377 58.000 -0.052 0.000 1.433 581 F CB -0.659 38.326 39.000 -0.025 0.000 1.115 581 F HN -0.041 nan 8.300 nan 0.000 0.582 582 V N -0.564 119.384 119.914 0.058 0.000 2.488 582 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 582 V C 1.964 178.023 176.094 -0.057 0.000 1.046 582 V CA 1.358 63.657 62.300 -0.002 0.000 1.053 582 V CB -0.338 31.462 31.823 -0.040 0.000 0.679 582 V HN 0.221 nan 8.190 nan 0.000 0.458 583 L N -0.244 120.905 121.223 -0.123 0.000 2.416 583 L HA 0.286 4.625 4.340 -0.000 0.000 0.216 583 L C 0.633 177.419 176.870 -0.139 0.000 1.098 583 L CA 0.890 55.631 54.840 -0.165 0.000 0.840 583 L CB -0.278 41.601 42.059 -0.301 0.000 0.981 583 L HN 0.404 nan 8.230 nan 0.000 0.462 584 N N 0.034 118.660 118.700 -0.124 0.000 2.648 584 N HA 0.132 4.872 4.740 -0.000 0.000 0.272 584 N C -0.628 174.874 175.510 -0.012 0.000 1.118 584 N CA -0.261 52.743 53.050 -0.076 0.000 0.973 584 N CB 1.041 39.460 38.487 -0.114 0.000 1.565 584 N HN 0.149 nan 8.380 nan 0.000 0.542 585 K N 1.344 121.791 120.400 0.078 0.000 2.646 585 K HA 0.386 4.706 4.320 -0.000 0.000 0.206 585 K C -0.323 176.368 176.600 0.153 0.000 1.069 585 K CA -0.468 55.941 56.287 0.204 0.000 1.067 585 K CB 0.511 33.137 32.500 0.211 0.000 0.807 585 K HN 0.209 nan 8.250 nan 0.000 0.482 586 K N 0.982 121.443 120.400 0.101 0.000 2.132 586 K HA 0.298 4.618 4.320 -0.000 0.000 0.241 586 K C -0.354 176.314 176.600 0.112 0.000 1.000 586 K CA -0.852 55.492 56.287 0.095 0.000 0.911 586 K CB 0.645 33.186 32.500 0.069 0.000 1.093 586 K HN 0.220 nan 8.250 nan 0.000 0.460 587 N N 0.654 119.422 118.700 0.113 0.000 2.735 587 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 587 N C -1.308 174.289 175.510 0.146 0.000 1.083 587 N CA 0.505 53.633 53.050 0.130 0.000 0.703 587 N CB -0.853 37.718 38.487 0.140 0.000 1.005 587 N HN 0.333 nan 8.380 nan 0.000 0.550 588 K N 1.076 121.563 120.400 0.144 0.000 2.276 588 K HA 0.249 4.569 4.320 -0.000 0.000 0.285 588 K C -0.038 176.635 176.600 0.120 0.000 1.062 588 K CA -0.774 55.606 56.287 0.156 0.000 0.918 588 K CB 1.183 33.785 32.500 0.170 0.000 1.055 588 K HN 0.053 nan 8.250 nan 0.000 0.477 589 L N 3.466 124.760 121.223 0.118 0.000 2.597 589 L HA 0.052 4.392 4.340 -0.000 0.000 0.271 589 L C -0.691 176.191 176.870 0.020 0.000 1.157 589 L CA 1.235 56.120 54.840 0.075 0.000 0.928 589 L CB 0.009 42.117 42.059 0.082 0.000 1.216 589 L HN 0.554 nan 8.230 nan 0.000 0.481 590 T N 3.612 118.164 114.554 -0.004 0.000 2.900 590 T HA 0.176 4.525 4.350 -0.000 0.000 0.295 590 T C 0.516 175.169 174.700 -0.077 0.000 1.044 590 T CA -0.272 61.815 62.100 -0.022 0.000 0.995 590 T CB 1.848 70.729 68.868 0.021 0.000 1.072 590 T HN 0.549 nan 8.240 nan 0.000 0.473 591 Q N 1.467 121.221 119.800 -0.077 0.000 2.234 591 Q HA -0.091 4.249 4.340 -0.000 0.000 0.206 591 Q C 2.307 178.315 176.000 0.015 0.000 0.980 591 Q CA 1.918 57.656 55.803 -0.109 0.000 0.869 591 Q CB -0.380 28.361 28.738 0.006 0.000 0.912 591 Q HN 0.659 nan 8.270 nan 0.000 0.436 592 S N -0.650 115.104 115.700 0.090 0.000 2.383 592 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 592 S C 1.533 176.212 174.600 0.132 0.000 1.026 592 S CA 1.261 59.557 58.200 0.160 0.000 0.981 592 S CB -0.049 63.224 63.200 0.121 0.000 0.818 592 S HN 0.446 nan 8.310 nan 0.000 0.472 593 K N 0.382 120.822 120.400 0.066 0.000 2.228 593 K HA 0.140 4.460 4.320 -0.000 0.000 0.202 593 K C 1.914 178.553 176.600 0.064 0.000 1.051 593 K CA 0.985 57.323 56.287 0.086 0.000 0.960 593 K CB -0.161 32.395 32.500 0.093 0.000 0.743 593 K HN 0.435 nan 8.250 nan 0.000 0.458 594 I N -0.395 120.098 120.570 -0.128 0.000 2.163 594 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 594 I C 1.824 177.788 176.117 -0.255 0.000 1.081 594 I CA 1.514 62.596 61.300 -0.363 0.000 1.353 594 I CB -0.320 37.138 38.000 -0.902 0.000 1.054 594 I HN 0.268 nan 8.210 nan 0.000 0.407 595 W N 1.029 122.313 121.300 -0.027 0.000 2.465 595 W HA -0.178 4.482 4.660 -0.000 0.000 0.268 595 W C 2.218 178.771 176.519 0.058 0.000 1.242 595 W CA 0.513 57.863 57.345 0.007 0.000 1.248 595 W CB -0.389 29.082 29.460 0.018 0.000 1.118 595 W HN 0.187 nan 8.180 nan 0.000 0.587 596 D N 0.283 120.837 120.400 0.257 0.000 2.117 596 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 596 D C 1.980 178.398 176.300 0.196 0.000 0.987 596 D CA 1.386 55.510 54.000 0.207 0.000 0.829 596 D CB -0.165 40.736 40.800 0.168 0.000 0.961 596 D HN -0.005 nan 8.370 nan 0.000 0.460 597 V N -0.121 119.914 119.914 0.201 0.000 2.453 597 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 597 V C 2.669 178.912 176.094 0.248 0.000 1.048 597 V CA 1.048 63.490 62.300 0.238 0.000 1.049 597 V CB -0.190 31.811 31.823 0.297 0.000 0.672 597 V HN 0.103 nan 8.190 nan 0.000 0.457 598 V N -0.141 119.846 119.914 0.122 0.000 2.358 598 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 598 V C 2.604 178.861 176.094 0.271 0.000 1.047 598 V CA 1.969 64.348 62.300 0.131 0.000 1.035 598 V CB -0.528 31.337 31.823 0.069 0.000 0.658 598 V HN 0.549 nan 8.190 nan 0.000 0.452 599 E N 1.124 121.479 120.200 0.258 0.000 2.072 599 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 599 E C 1.624 178.328 176.600 0.174 0.000 0.985 599 E CA 0.966 57.505 56.400 0.231 0.000 0.801 599 E CB -0.053 29.783 29.700 0.227 0.000 0.750 599 E HN 0.538 nan 8.360 nan 0.000 0.452 600 K N -0.086 120.415 120.400 0.167 0.000 2.968 600 K HA 0.151 4.471 4.320 -0.000 0.000 0.249 600 K C 0.431 177.122 176.600 0.151 0.000 1.062 600 K CA 0.300 56.662 56.287 0.126 0.000 1.215 600 K CB 0.316 32.883 32.500 0.112 0.000 1.097 600 K HN 0.018 nan 8.250 nan 0.000 0.462 601 A N 0.320 123.253 122.820 0.190 0.000 2.704 601 A HA 0.084 4.404 4.320 -0.000 0.000 0.260 601 A C -0.568 177.123 177.584 0.179 0.000 1.144 601 A CA -0.446 51.715 52.037 0.207 0.000 0.985 601 A CB 0.417 19.624 19.000 0.344 0.000 1.256 601 A HN 0.150 nan 8.150 nan 0.000 0.598 602 D N 0.681 121.173 120.400 0.154 0.000 2.423 602 D HA 0.129 4.769 4.640 -0.000 0.000 0.238 602 D C 1.620 177.972 176.300 0.087 0.000 1.142 602 D CA 0.074 54.152 54.000 0.131 0.000 0.884 602 D CB 0.651 41.523 40.800 0.120 0.000 1.199 602 D HN 0.496 nan 8.370 nan 0.000 0.438 603 I N -1.281 119.338 120.570 0.081 0.000 3.444 603 I HA 0.181 4.351 4.170 -0.000 0.000 0.287 603 I C 0.889 177.039 176.117 0.055 0.000 1.302 603 I CA 0.015 61.350 61.300 0.059 0.000 1.368 603 I CB -0.290 37.742 38.000 0.054 0.000 1.048 603 I HN 0.093 nan 8.210 nan 0.000 0.487 604 G N -0.400 108.432 108.800 0.052 0.000 2.410 604 G HA2 0.475 4.435 3.960 -0.000 0.000 0.330 604 G HA3 0.475 4.435 3.960 -0.000 0.000 0.330 604 G C -0.097 174.798 174.900 -0.009 0.000 1.142 604 G CA -0.402 44.718 45.100 0.033 0.000 0.902 604 G HN 0.316 nan 8.290 nan 0.000 0.491 605 c N -0.855 117.737 118.600 -0.014 0.000 2.508 605 c HA 0.288 4.858 4.570 -0.000 0.000 0.407 605 c C 1.299 175.357 174.090 -0.053 0.000 1.494 605 c CA 0.285 56.593 56.329 -0.036 0.000 2.531 605 c CB -0.129 42.380 42.510 -0.001 0.000 2.480 605 c HN 0.622 nan 8.230 nan 0.000 0.614 606 T N 3.783 118.337 114.554 0.001 0.000 2.853 606 T HA 0.109 4.459 4.350 -0.000 0.000 0.298 606 T C -1.567 173.129 174.700 -0.006 0.000 0.978 606 T CA 0.012 62.133 62.100 0.035 0.000 1.152 606 T CB 0.743 69.679 68.868 0.114 0.000 0.914 606 T HN 0.279 nan 8.240 nan 0.000 0.539 607 P HA 0.074 nan 4.420 nan 0.000 0.221 607 P C 0.523 177.878 177.300 0.092 0.000 1.145 607 P CA 0.783 63.869 63.100 -0.024 0.000 0.795 607 P CB 0.115 31.822 31.700 0.012 0.000 0.775 608 G N -2.773 106.087 108.800 0.100 0.000 2.402 608 G HA2 0.399 4.359 3.960 -0.000 0.000 0.301 608 G HA3 0.399 4.359 3.960 -0.000 0.000 0.301 608 G C -0.917 174.060 174.900 0.128 0.000 1.615 608 G CA 0.112 45.266 45.100 0.088 0.000 0.889 608 G HN 0.073 nan 8.290 nan 0.000 0.647 609 S N -1.628 114.107 115.700 0.058 0.000 3.760 609 S HA 0.425 4.895 4.470 -0.000 0.000 0.734 609 S C 0.682 175.267 174.600 -0.025 0.000 1.581 609 S CA 1.358 59.591 58.200 0.054 0.000 1.575 609 S CB -0.772 62.529 63.200 0.168 0.000 0.391 609 S HN 2.760 nan 8.310 nan 0.000 0.901 610 G N 0.944 109.608 108.800 -0.227 0.000 2.827 610 G HA2 0.591 4.551 3.960 -0.000 0.000 0.296 610 G HA3 0.591 4.551 3.960 -0.000 0.000 0.296 610 G C 0.194 174.450 174.900 -1.073 0.000 1.362 610 G CA 0.107 44.747 45.100 -0.767 0.000 0.809 610 G HN 1.015 nan 8.290 nan 0.000 0.522 611 K N -1.054 118.771 120.400 -0.958 0.000 2.296 611 K HA 0.145 4.465 4.320 -0.000 0.000 0.200 611 K C 0.114 176.469 176.600 -0.409 0.000 1.048 611 K CA 1.517 57.517 56.287 -0.479 0.000 0.966 611 K CB -0.068 32.322 32.500 -0.183 0.000 0.754 611 K HN 0.509 nan 8.250 nan 0.000 0.466 612 D N -1.033 119.128 120.400 -0.399 0.000 2.838 612 D HA -0.054 4.586 4.640 -0.000 0.000 0.334 612 D C 0.744 176.958 176.300 -0.143 0.000 1.315 612 D CA -0.728 52.981 54.000 -0.484 0.000 0.917 612 D CB -0.153 40.449 40.800 -0.330 0.000 1.435 612 D HN 0.003 nan 8.370 nan 0.000 0.517 613 Y N -0.712 119.540 120.300 -0.081 0.000 2.181 613 Y HA 0.223 4.773 4.550 -0.000 0.000 0.288 613 Y C 2.115 178.125 175.900 0.183 0.000 1.146 613 Y CA 1.576 59.743 58.100 0.113 0.000 1.164 613 Y CB -1.154 37.340 38.460 0.056 0.000 0.982 613 Y HN 0.391 nan 8.280 nan 0.000 0.515 614 A N 0.857 123.167 122.820 -0.850 0.000 2.168 614 A HA 0.145 4.465 4.320 -0.000 0.000 0.215 614 A C 2.303 179.801 177.584 -0.143 0.000 1.152 614 A CA 1.094 52.837 52.037 -0.489 0.000 0.716 614 A CB -1.346 17.225 19.000 -0.715 0.000 0.794 614 A HN 0.651 nan 8.150 nan 0.000 0.465 615 G N -0.993 107.713 108.800 -0.156 0.000 2.492 615 G HA2 0.095 4.055 3.960 -0.000 0.000 0.214 615 G HA3 0.095 4.055 3.960 -0.000 0.000 0.214 615 G C 1.347 176.212 174.900 -0.059 0.000 1.147 615 G CA 0.913 45.946 45.100 -0.112 0.000 0.809 615 G HN 0.242 nan 8.290 nan 0.000 0.533 616 V N 0.668 120.555 119.914 -0.044 0.000 2.343 616 V HA -0.110 4.010 4.120 -0.000 0.000 0.247 616 V C 2.440 178.453 176.094 -0.135 0.000 1.051 616 V CA 1.455 63.688 62.300 -0.113 0.000 1.036 616 V CB -0.650 31.059 31.823 -0.190 0.000 0.654 616 V HN 0.320 nan 8.190 nan 0.000 0.451 617 F N 0.678 120.622 119.950 -0.009 0.000 2.113 617 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 617 F C 2.722 178.537 175.800 0.025 0.000 1.103 617 F CA 1.777 59.790 58.000 0.022 0.000 1.248 617 F CB -0.837 38.180 39.000 0.028 0.000 0.999 617 F HN 0.008 nan 8.300 nan 0.000 0.475 618 S N -0.350 115.465 115.700 0.192 0.000 2.382 618 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 618 S C 1.365 176.009 174.600 0.073 0.000 1.027 618 S CA 1.522 59.787 58.200 0.108 0.000 0.991 618 S CB -0.372 62.863 63.200 0.058 0.000 0.823 618 S HN 0.324 nan 8.310 nan 0.000 0.469 619 D N 1.019 121.448 120.400 0.048 0.000 2.347 619 D HA 0.209 4.849 4.640 -0.000 0.000 0.215 619 D C 1.660 177.986 176.300 0.042 0.000 0.976 619 D CA 0.671 54.693 54.000 0.037 0.000 0.884 619 D CB -0.093 40.720 40.800 0.022 0.000 0.915 619 D HN 0.415 nan 8.370 nan 0.000 0.526 620 A N -0.535 122.317 122.820 0.054 0.000 2.035 620 A HA 0.514 4.834 4.320 -0.000 0.000 0.208 620 A C 1.560 179.205 177.584 0.101 0.000 1.206 620 A CA 0.862 52.941 52.037 0.069 0.000 0.773 620 A CB 0.362 19.389 19.000 0.045 0.000 0.878 620 A HN 0.189 nan 8.150 nan 0.000 0.469 621 G N -0.838 108.033 108.800 0.117 0.000 2.338 621 G HA2 0.021 3.981 3.960 -0.000 0.000 0.115 621 G HA3 0.021 3.981 3.960 -0.000 0.000 0.115 621 G C -0.508 174.484 174.900 0.153 0.000 1.053 621 G CA -0.089 45.083 45.100 0.120 0.000 0.733 621 G HN 0.433 nan 8.290 nan 0.000 0.482 622 L N 0.344 121.690 121.223 0.205 0.000 2.424 622 L HA 0.788 5.128 4.340 -0.000 0.000 0.258 622 L C 0.090 177.094 176.870 0.223 0.000 0.995 622 L CA -0.743 54.247 54.840 0.251 0.000 0.821 622 L CB 2.669 44.965 42.059 0.395 0.000 1.383 622 L HN 0.334 nan 8.230 nan 0.000 0.410 623 T N -1.043 113.589 114.554 0.129 0.000 2.893 623 T HA 0.434 4.784 4.350 -0.000 0.000 0.324 623 T C -0.827 173.836 174.700 -0.062 0.000 1.082 623 T CA -0.340 61.783 62.100 0.038 0.000 0.983 623 T CB 0.435 69.322 68.868 0.032 0.000 1.005 623 T HN 0.287 nan 8.240 nan 0.000 0.475 624 F N 3.410 123.108 119.950 -0.421 0.000 2.411 624 F HA 0.574 5.101 4.527 -0.000 0.000 0.355 624 F C -0.291 175.322 175.800 -0.312 0.000 1.117 624 F CA -0.053 57.605 58.000 -0.570 0.000 1.139 624 F CB 1.019 39.207 39.000 -1.353 0.000 1.120 624 F HN 0.604 nan 8.300 nan 0.000 0.493 625 T N 4.806 118.930 114.554 -0.716 0.000 3.011 625 T HA 0.380 4.730 4.350 -0.000 0.000 0.303 625 T C -0.668 173.712 174.700 -0.533 0.000 0.997 625 T CA -0.799 61.032 62.100 -0.448 0.000 1.007 625 T CB 1.223 69.960 68.868 -0.217 0.000 1.017 625 T HN 0.628 nan 8.240 nan 0.000 0.443 626 S N 1.168 116.639 115.700 -0.381 0.000 2.766 626 S HA 0.597 5.067 4.470 -0.000 0.000 0.307 626 S C 1.393 175.941 174.600 -0.086 0.000 1.121 626 S CA -0.244 57.812 58.200 -0.239 0.000 0.980 626 S CB 1.389 64.510 63.200 -0.133 0.000 1.159 626 S HN 0.635 nan 8.310 nan 0.000 0.546 627 S N -0.235 115.448 115.700 -0.028 0.000 2.528 627 S HA 0.064 4.534 4.470 -0.000 0.000 0.219 627 S C 1.393 175.999 174.600 0.009 0.000 0.985 627 S CA 0.382 58.587 58.200 0.008 0.000 0.914 627 S CB -0.635 62.596 63.200 0.052 0.000 0.776 627 S HN 0.551 nan 8.310 nan 0.000 0.526 628 S N 0.997 116.701 115.700 0.006 0.000 2.414 628 S HA 0.391 4.861 4.470 -0.000 0.000 0.227 628 S C 1.629 176.235 174.600 0.009 0.000 1.022 628 S CA 0.835 59.039 58.200 0.008 0.000 0.958 628 S CB -0.078 63.126 63.200 0.006 0.000 0.797 628 S HN 0.964 nan 8.310 nan 0.000 0.493 629 G N 0.284 109.092 108.800 0.013 0.000 2.425 629 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.177 629 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.177 629 G C -0.391 174.541 174.900 0.052 0.000 0.999 629 G CA -0.764 44.348 45.100 0.020 0.000 0.723 629 G HN 0.363 nan 8.290 nan 0.000 0.491 630 Q N 1.844 121.698 119.800 0.090 0.000 2.369 630 Q HA 0.521 4.861 4.340 -0.000 0.000 0.247 630 Q C 0.332 176.453 176.000 0.202 0.000 1.083 630 Q CA 0.177 56.109 55.803 0.214 0.000 0.905 630 Q CB 0.651 29.542 28.738 0.256 0.000 1.305 630 Q HN 0.790 nan 8.270 nan 0.000 0.465 631 Q N 0.028 119.901 119.800 0.122 0.000 2.387 631 Q HA 0.704 5.044 4.340 -0.000 0.000 0.273 631 Q C -0.478 175.520 176.000 -0.003 0.000 1.089 631 Q CA -1.037 54.785 55.803 0.031 0.000 0.824 631 Q CB 1.298 30.018 28.738 -0.029 0.000 1.367 631 Q HN 0.466 nan 8.270 nan 0.000 0.443 632 T N -1.118 113.415 114.554 -0.034 0.000 2.754 632 T HA 0.591 4.941 4.350 -0.000 0.000 0.286 632 T C 0.525 175.193 174.700 -0.053 0.000 0.997 632 T CA -0.334 61.729 62.100 -0.062 0.000 0.982 632 T CB 0.690 69.547 68.868 -0.019 0.000 1.027 632 T HN 0.783 nan 8.240 nan 0.000 0.529 633 A N 0.775 123.563 122.820 -0.052 0.000 2.425 633 A HA 0.314 4.634 4.320 -0.000 0.000 0.242 633 A C 0.537 178.115 177.584 -0.010 0.000 1.077 633 A CA -0.605 51.410 52.037 -0.037 0.000 0.781 633 A CB -0.188 18.790 19.000 -0.037 0.000 1.020 633 A HN 0.939 nan 8.150 nan 0.000 0.494 634 Q N 0.761 120.555 119.800 -0.010 0.000 2.332 634 Q HA 0.303 4.643 4.340 -0.000 0.000 0.263 634 Q C -0.192 175.830 176.000 0.037 0.000 0.979 634 Q CA -0.123 55.684 55.803 0.006 0.000 0.885 634 Q CB 0.449 29.177 28.738 -0.017 0.000 1.218 634 Q HN 0.666 nan 8.270 nan 0.000 0.405 635 R N 2.894 123.440 120.500 0.078 0.000 2.360 635 R HA 0.480 4.820 4.340 -0.000 0.000 0.318 635 R C -0.629 175.757 176.300 0.144 0.000 0.950 635 R CA 0.213 56.369 56.100 0.092 0.000 0.837 635 R CB 1.057 31.407 30.300 0.084 0.000 1.165 635 R HN 0.813 nan 8.270 nan 0.000 0.458 636 A N 4.118 127.007 122.820 0.115 0.000 1.938 636 A HA 0.150 4.469 4.320 -0.000 0.000 0.207 636 A C 0.111 177.756 177.584 0.102 0.000 1.292 636 A CA 0.190 52.314 52.037 0.144 0.000 0.700 636 A CB -0.055 19.009 19.000 0.106 0.000 0.947 636 A HN 0.728 nan 8.150 nan 0.000 0.476 637 E N 0.473 120.712 120.200 0.066 0.000 2.384 637 E HA 0.228 4.578 4.350 -0.000 0.000 0.266 637 E C 0.424 177.043 176.600 0.031 0.000 1.012 637 E CA -0.298 56.128 56.400 0.043 0.000 0.901 637 E CB 0.870 30.590 29.700 0.033 0.000 0.967 637 E HN 0.412 nan 8.360 nan 0.000 0.435 638 L N 1.921 123.153 121.223 0.016 0.000 1.988 638 L HA -0.186 4.153 4.340 -0.000 0.000 0.207 638 L C 1.057 177.932 176.870 0.008 0.000 1.071 638 L CA 1.248 56.089 54.840 0.001 0.000 0.744 638 L CB -0.345 41.707 42.059 -0.011 0.000 0.893 638 L HN 0.501 nan 8.230 nan 0.000 0.433 639 Q N -0.947 118.858 119.800 0.009 0.000 2.414 639 Q HA 0.167 4.507 4.340 -0.000 0.000 0.206 639 Q C -0.277 175.733 176.000 0.017 0.000 1.058 639 Q CA -0.264 55.547 55.803 0.013 0.000 1.025 639 Q CB 0.500 29.242 28.738 0.008 0.000 1.196 639 Q HN 0.224 nan 8.270 nan 0.000 0.586 640 c N 1.860 120.470 118.600 0.017 0.000 2.539 640 c HA 0.402 4.972 4.570 -0.000 0.000 0.392 640 c C -1.719 172.382 174.090 0.017 0.000 1.269 640 c CA -1.096 55.244 56.329 0.017 0.000 2.250 640 c CB -0.573 41.944 42.510 0.011 0.000 2.584 640 c HN 0.673 nan 8.230 nan 0.000 0.589 641 P HA 0.156 nan 4.420 nan 0.000 0.269 641 P C -0.291 177.020 177.300 0.019 0.000 1.211 641 P CA 0.364 63.477 63.100 0.022 0.000 0.781 641 P CB 0.213 31.929 31.700 0.028 0.000 0.877 642 Q N 0.000 119.811 119.800 0.018 0.000 2.315 642 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 642 Q CA 0.000 55.813 55.803 0.016 0.000 1.022 642 Q CB 0.000 28.749 28.738 0.019 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481