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 2df7_1_H DATA FIRST_RESID 12 DATA SEQUENCE VPFIRSLLMP TTGPASIPDD TLEKHTLRSE TSTYNLTVGD TGSGLIVFFP DATA SEQUENCE GFPGSIVGAH YTLQSNGNYK FDQMLLTAQN LPASYNYCRL VSRSLTVRSS DATA SEQUENCE TLPXXXXXLN GTINAVTFQG SLSELTDVSY NGLMSATANI NDKIGNVLVG DATA SEQUENCE EGVTVLSLPT SYDLGYVRLG DPIPAIGLDP KMVATCDSSD RPRVYTITAA DATA SEQUENCE DDYQFSSQYQ SGGVTITLFS ANIDAITSLS IGGELVFHTS VHGLALDATI DATA SEQUENCE YLIGFDGTTV ITRAVASDNG LTTGIDNLMP FNLVIPTNEI TQPITSIKLE DATA SEQUENCE IVTSKSGGQA GDQMSWSASG SLAVTIHGGN YPGALRPVTL VAYERVATGS DATA SEQUENCE VVTVAGVSNF ELIPNPELAK NLVTEYGRFD PGAMNYTKLI LSERERLGIK DATA SEQUENCE TVWPTREYTD FREYFMEV 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.157 176.094 0.105 0.000 1.182 12 V CA 0.000 62.316 62.300 0.026 0.000 1.235 12 V CB 0.000 31.853 31.823 0.050 0.000 1.184 13 P HA -0.138 nan 4.420 nan 0.000 0.215 13 P C 1.622 178.993 177.300 0.118 0.000 1.157 13 P CA 1.249 64.408 63.100 0.097 0.000 0.868 13 P CB 0.168 31.923 31.700 0.090 0.000 0.788 14 F N 0.344 120.325 119.950 0.051 0.000 2.126 14 F HA -0.204 4.323 4.527 -0.001 0.000 0.299 14 F C 1.921 177.770 175.800 0.082 0.000 1.096 14 F CA 1.420 59.447 58.000 0.046 0.000 1.255 14 F CB -0.644 38.363 39.000 0.013 0.000 0.997 14 F HN -0.235 nan 8.300 nan 0.000 0.479 15 I N 0.382 120.998 120.570 0.076 0.000 2.286 15 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 15 I C 2.507 178.624 176.117 0.000 0.000 1.115 15 I CA 1.405 62.758 61.300 0.088 0.000 1.392 15 I CB -1.501 36.743 38.000 0.407 0.000 1.065 15 I HN 0.200 nan 8.210 nan 0.000 0.418 16 R N 0.659 121.189 120.500 0.050 0.000 2.081 16 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 16 R C 2.623 178.816 176.300 -0.178 0.000 1.131 16 R CA 1.906 57.973 56.100 -0.055 0.000 0.960 16 R CB -0.233 30.102 30.300 0.058 0.000 0.856 16 R HN 0.215 nan 8.270 nan 0.000 0.436 17 S N -0.001 115.586 115.700 -0.188 0.000 2.368 17 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 17 S C 1.823 176.252 174.600 -0.286 0.000 1.029 17 S CA 1.155 59.227 58.200 -0.213 0.000 0.988 17 S CB -0.307 62.777 63.200 -0.193 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.577 122.521 121.223 -0.465 0.000 1.994 18 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 18 L C 2.064 178.838 176.870 -0.160 0.000 1.071 18 L CA 1.882 56.493 54.840 -0.382 0.000 0.745 18 L CB -0.618 41.141 42.059 -0.500 0.000 0.892 18 L HN 0.399 nan 8.230 nan 0.000 0.431 19 L N -1.681 119.464 121.223 -0.129 0.000 2.341 19 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 19 L C 0.846 177.708 176.870 -0.013 0.000 1.115 19 L CA 0.461 55.289 54.840 -0.019 0.000 0.820 19 L CB -0.087 41.985 42.059 0.022 0.000 0.944 19 L HN 0.248 nan 8.230 nan 0.000 0.452 20 M N -0.897 118.624 119.600 -0.132 0.000 2.720 20 M HA 0.230 4.710 4.480 -0.000 0.000 0.250 20 M C -1.936 174.315 176.300 -0.081 0.000 1.280 20 M CA -1.249 54.002 55.300 -0.082 0.000 0.579 20 M CB 1.689 34.162 32.600 -0.211 0.000 1.469 20 M HN -0.260 nan 8.290 nan 0.000 0.416 21 P HA -0.193 nan 4.420 nan 0.000 0.217 21 P C 1.283 178.548 177.300 -0.058 0.000 1.148 21 P CA 1.611 64.660 63.100 -0.084 0.000 0.834 21 P CB -0.126 31.514 31.700 -0.099 0.000 0.783 22 T N -4.707 109.823 114.554 -0.040 0.000 3.098 22 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 22 T C 1.465 176.151 174.700 -0.022 0.000 1.145 22 T CA 1.520 63.605 62.100 -0.024 0.000 1.092 22 T CB -1.463 67.398 68.868 -0.011 0.000 0.908 22 T HN 0.227 nan 8.240 nan 0.000 0.526 23 T N -1.944 112.589 114.554 -0.035 0.000 3.100 23 T HA 0.512 4.862 4.350 -0.000 0.000 0.253 23 T C 1.138 175.829 174.700 -0.014 0.000 1.118 23 T CA 0.167 62.250 62.100 -0.027 0.000 1.058 23 T CB -0.352 68.491 68.868 -0.041 0.000 0.953 23 T HN 1.062 nan 8.240 nan 0.000 0.515 24 G N 1.625 110.415 108.800 -0.015 0.000 2.371 24 G HA2 0.232 4.191 3.960 -0.000 0.000 0.663 24 G HA3 0.232 4.191 3.960 -0.000 0.000 0.663 24 G C -3.371 171.529 174.900 -0.001 0.000 1.311 24 G CA -0.647 44.455 45.100 0.003 0.000 0.985 24 G HN 0.277 nan 8.290 nan 0.000 0.566 25 P HA 0.690 nan 4.420 nan 0.000 0.280 25 P C -0.358 176.990 177.300 0.080 0.000 1.272 25 P CA 0.376 63.504 63.100 0.048 0.000 0.819 25 P CB 2.001 33.749 31.700 0.080 0.000 1.122 26 A N 0.293 123.191 122.820 0.130 0.000 2.605 26 A HA 0.540 4.860 4.320 -0.000 0.000 0.294 26 A C -0.555 177.189 177.584 0.266 0.000 1.062 26 A CA -0.523 51.628 52.037 0.190 0.000 0.682 26 A CB 0.588 19.706 19.000 0.198 0.000 1.278 26 A HN 0.383 nan 8.150 nan 0.000 0.410 27 S N 0.542 116.393 115.700 0.252 0.000 2.580 27 S HA 0.445 4.914 4.470 -0.000 0.000 0.274 27 S C 0.256 174.891 174.600 0.058 0.000 1.329 27 S CA -0.209 58.121 58.200 0.217 0.000 1.036 27 S CB 0.243 63.608 63.200 0.277 0.000 0.919 27 S HN 0.469 nan 8.310 nan 0.000 0.515 28 I N 4.594 125.085 120.570 -0.132 0.000 2.533 28 I HA 0.141 4.311 4.170 -0.000 0.000 0.284 28 I C -1.496 174.307 176.117 -0.523 0.000 1.109 28 I CA -1.591 59.337 61.300 -0.618 0.000 1.412 28 I CB 0.486 38.186 38.000 -0.500 0.000 1.396 28 I HN 0.426 nan 8.210 nan 0.000 0.543 29 P HA 0.049 nan 4.420 nan 0.000 0.228 29 P C -1.041 176.096 177.300 -0.273 0.000 1.748 29 P CA -0.127 62.763 63.100 -0.351 0.000 0.909 29 P CB -0.418 31.096 31.700 -0.310 0.000 1.882 30 D N -0.740 119.518 120.400 -0.237 0.000 2.494 30 D HA 0.141 4.781 4.640 -0.000 0.000 0.256 30 D C 0.462 176.739 176.300 -0.038 0.000 1.197 30 D CA -0.262 53.661 54.000 -0.128 0.000 1.096 30 D CB -0.174 40.558 40.800 -0.113 0.000 1.191 30 D HN -0.206 nan 8.370 nan 0.000 0.608 31 D N -1.371 119.025 120.400 -0.007 0.000 2.395 31 D HA 0.080 4.720 4.640 -0.000 0.000 0.213 31 D C -0.089 176.232 176.300 0.035 0.000 1.110 31 D CA 0.257 54.264 54.000 0.012 0.000 0.835 31 D CB 0.228 41.033 40.800 0.009 0.000 0.965 31 D HN 0.257 nan 8.370 nan 0.000 0.505 32 T N 2.266 116.851 114.554 0.051 0.000 4.104 32 T HA 0.191 4.541 4.350 -0.000 0.000 0.285 32 T C 0.953 175.745 174.700 0.155 0.000 1.346 32 T CA -0.167 61.995 62.100 0.103 0.000 1.158 32 T CB -0.281 68.656 68.868 0.114 0.000 1.290 32 T HN 0.028 nan 8.240 nan 0.000 0.975 33 L N 3.406 124.710 121.223 0.136 0.000 2.462 33 L HA 0.267 4.607 4.340 -0.000 0.000 0.283 33 L C 0.719 177.792 176.870 0.340 0.000 1.166 33 L CA 0.238 55.209 54.840 0.219 0.000 0.964 33 L CB -0.287 41.815 42.059 0.072 0.000 1.294 33 L HN 0.423 nan 8.230 nan 0.000 0.449 34 E N 2.637 123.037 120.200 0.333 0.000 2.277 34 E HA 0.372 4.721 4.350 -0.000 0.000 0.266 34 E C -0.815 175.829 176.600 0.073 0.000 0.901 34 E CA -1.088 55.388 56.400 0.127 0.000 0.782 34 E CB 2.708 32.265 29.700 -0.238 0.000 1.228 34 E HN 0.297 nan 8.360 nan 0.000 0.424 35 K N 2.774 122.988 120.400 -0.310 0.000 2.339 35 K HA 0.116 4.436 4.320 -0.000 0.000 0.286 35 K C 0.003 176.521 176.600 -0.136 0.000 1.050 35 K CA 0.136 56.142 56.287 -0.468 0.000 0.956 35 K CB 0.293 32.460 32.500 -0.555 0.000 0.990 35 K HN 0.501 nan 8.250 nan 0.000 0.475 36 H N -0.490 118.506 119.070 -0.124 0.000 2.928 36 H HA 0.479 5.035 4.556 -0.000 0.000 0.285 36 H C -1.189 174.166 175.328 0.045 0.000 1.438 36 H CA -0.884 55.162 56.048 -0.004 0.000 1.176 36 H CB 1.728 31.569 29.762 0.133 0.000 1.864 36 H HN 0.483 nan 8.280 nan 0.000 0.567 37 T N 0.385 115.045 114.554 0.177 0.000 2.906 37 T HA 0.583 4.933 4.350 -0.000 0.000 0.295 37 T C -1.032 173.808 174.700 0.234 0.000 1.075 37 T CA -0.741 61.425 62.100 0.110 0.000 1.005 37 T CB 1.179 70.129 68.868 0.138 0.000 1.136 37 T HN 0.425 nan 8.240 nan 0.000 0.498 38 L N 3.807 125.134 121.223 0.173 0.000 2.317 38 L HA 0.762 5.102 4.340 -0.000 0.000 0.281 38 L C 0.214 177.169 176.870 0.141 0.000 1.024 38 L CA -1.010 53.944 54.840 0.190 0.000 0.810 38 L CB 1.385 43.549 42.059 0.176 0.000 1.240 38 L HN 0.464 nan 8.230 nan 0.000 0.427 39 R N 1.354 121.947 120.500 0.156 0.000 2.707 39 R HA 0.588 4.927 4.340 -0.000 0.000 0.272 39 R C -1.496 174.931 176.300 0.212 0.000 1.011 39 R CA -0.865 55.327 56.100 0.153 0.000 0.893 39 R CB 2.380 32.736 30.300 0.093 0.000 1.233 39 R HN 0.508 nan 8.270 nan 0.000 0.464 40 S N 1.300 117.104 115.700 0.173 0.000 2.502 40 S HA 0.465 4.935 4.470 -0.000 0.000 0.304 40 S C -0.859 173.854 174.600 0.187 0.000 1.097 40 S CA -0.811 57.486 58.200 0.161 0.000 1.045 40 S CB 2.073 65.327 63.200 0.089 0.000 1.019 40 S HN 0.257 nan 8.310 nan 0.000 0.481 41 E N 2.522 122.869 120.200 0.245 0.000 2.199 41 E HA 0.378 4.727 4.350 -0.000 0.000 0.265 41 E C -0.232 176.470 176.600 0.169 0.000 0.882 41 E CA -0.473 56.061 56.400 0.223 0.000 0.759 41 E CB 1.992 31.883 29.700 0.318 0.000 1.148 41 E HN 0.722 nan 8.360 nan 0.000 0.412 42 T N -0.652 113.971 114.554 0.114 0.000 2.874 42 T HA 0.597 4.947 4.350 -0.000 0.000 0.281 42 T C 0.289 175.049 174.700 0.099 0.000 0.994 42 T CA -0.644 61.507 62.100 0.084 0.000 1.015 42 T CB 1.098 69.993 68.868 0.045 0.000 1.028 42 T HN 0.116 nan 8.240 nan 0.000 0.523 43 S N 0.872 116.631 115.700 0.097 0.000 2.594 43 S HA 0.703 5.173 4.470 -0.000 0.000 0.296 43 S C -0.638 174.000 174.600 0.063 0.000 1.124 43 S CA -0.901 57.385 58.200 0.143 0.000 1.011 43 S CB 1.591 64.960 63.200 0.282 0.000 1.016 43 S HN 1.116 nan 8.310 nan 0.000 0.485 44 T N 1.104 115.571 114.554 -0.146 0.000 3.011 44 T HA 0.743 5.093 4.350 -0.000 0.000 0.303 44 T C -1.420 172.967 174.700 -0.521 0.000 0.997 44 T CA -0.516 61.475 62.100 -0.182 0.000 1.007 44 T CB 0.553 69.333 68.868 -0.146 0.000 1.017 44 T HN 0.419 nan 8.240 nan 0.000 0.443 45 Y N 1.151 121.455 120.300 0.006 0.000 2.534 45 Y HA 0.591 5.140 4.550 -0.000 0.000 0.345 45 Y C -0.253 175.624 175.900 -0.039 0.000 1.031 45 Y CA -1.257 56.832 58.100 -0.017 0.000 1.022 45 Y CB 2.437 40.880 38.460 -0.029 0.000 1.292 45 Y HN 0.586 nan 8.280 nan 0.000 0.459 46 N N 3.305 122.061 118.700 0.094 0.000 2.696 46 N HA 0.373 5.113 4.740 -0.000 0.000 0.246 46 N C -1.402 174.115 175.510 0.012 0.000 1.057 46 N CA -0.286 52.779 53.050 0.024 0.000 0.867 46 N CB 1.070 39.557 38.487 0.000 0.000 1.141 46 N HN 0.529 nan 8.380 nan 0.000 0.517 47 L N 1.009 122.201 121.223 -0.052 0.000 2.371 47 L HA 0.398 4.738 4.340 -0.000 0.000 0.272 47 L C 0.703 177.538 176.870 -0.058 0.000 1.124 47 L CA -0.213 54.562 54.840 -0.109 0.000 0.816 47 L CB 0.642 42.456 42.059 -0.410 0.000 1.129 47 L HN 0.166 nan 8.230 nan 0.000 0.448 48 T N 1.783 116.355 114.554 0.029 0.000 2.799 48 T HA 0.344 4.694 4.350 -0.000 0.000 0.286 48 T C 0.072 174.843 174.700 0.120 0.000 0.973 48 T CA -0.510 61.619 62.100 0.049 0.000 1.035 48 T CB 1.771 70.668 68.868 0.048 0.000 0.932 48 T HN 0.209 nan 8.240 nan 0.000 0.469 49 V N 3.439 123.403 119.914 0.084 0.000 2.555 49 V HA 0.441 4.561 4.120 -0.000 0.000 0.286 49 V C 1.267 177.442 176.094 0.135 0.000 1.044 49 V CA -0.329 62.066 62.300 0.157 0.000 1.026 49 V CB 0.887 32.770 31.823 0.101 0.000 0.981 49 V HN 1.053 nan 8.190 nan 0.000 0.480 50 G N 2.945 111.841 108.800 0.159 0.000 2.588 50 G HA2 0.178 4.138 3.960 -0.000 0.000 0.278 50 G HA3 0.178 4.138 3.960 -0.000 0.000 0.278 50 G C 0.562 175.505 174.900 0.072 0.000 1.307 50 G CA 0.220 45.376 45.100 0.093 0.000 1.016 50 G HN 0.857 nan 8.290 nan 0.000 0.503 51 D N -1.634 118.791 120.400 0.042 0.000 2.264 51 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 51 D C 2.168 178.481 176.300 0.022 0.000 0.966 51 D CA 1.540 55.556 54.000 0.027 0.000 0.864 51 D CB -0.552 40.257 40.800 0.014 0.000 0.933 51 D HN 0.427 nan 8.370 nan 0.000 0.499 52 T N -4.067 110.499 114.554 0.020 0.000 3.088 52 T HA 0.281 4.631 4.350 -0.000 0.000 0.259 52 T C 1.896 176.611 174.700 0.024 0.000 1.122 52 T CA 0.431 62.533 62.100 0.003 0.000 1.095 52 T CB -0.338 68.514 68.868 -0.027 0.000 0.930 52 T HN 0.389 nan 8.240 nan 0.000 0.508 53 G N 0.411 109.255 108.800 0.072 0.000 2.168 53 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.263 53 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.263 53 G C 0.140 175.150 174.900 0.184 0.000 0.977 53 G CA 0.245 45.418 45.100 0.123 0.000 0.659 53 G HN 0.778 nan 8.290 nan 0.000 0.533 54 S N -0.783 114.976 115.700 0.097 0.000 2.536 54 S HA 0.906 5.376 4.470 -0.000 0.000 0.298 54 S C 0.397 174.858 174.600 -0.233 0.000 1.083 54 S CA 0.152 58.315 58.200 -0.061 0.000 0.995 54 S CB 2.236 65.382 63.200 -0.090 0.000 1.058 54 S HN 1.630 nan 8.310 nan 0.000 0.488 55 G N 0.366 108.676 108.800 -0.817 0.000 2.550 55 G HA2 0.616 4.576 3.960 -0.000 0.000 0.293 55 G HA3 0.616 4.576 3.960 -0.000 0.000 0.293 55 G C -2.458 172.114 174.900 -0.547 0.000 1.402 55 G CA -0.545 44.155 45.100 -0.666 0.000 0.784 55 G HN 0.650 nan 8.290 nan 0.000 0.482 56 L N -0.107 121.048 121.223 -0.113 0.000 2.464 56 L HA 0.773 5.113 4.340 -0.000 0.000 0.266 56 L C -1.244 175.700 176.870 0.123 0.000 0.965 56 L CA -0.627 54.191 54.840 -0.037 0.000 0.833 56 L CB 1.787 43.701 42.059 -0.243 0.000 1.296 56 L HN 0.507 nan 8.230 nan 0.000 0.405 57 I N 5.368 125.974 120.570 0.060 0.000 2.378 57 I HA 0.459 4.629 4.170 -0.000 0.000 0.291 57 I C -0.702 175.217 176.117 -0.331 0.000 0.992 57 I CA -0.978 60.245 61.300 -0.128 0.000 1.154 57 I CB 1.936 39.751 38.000 -0.307 0.000 1.315 57 I HN 0.252 nan 8.210 nan 0.000 0.448 58 V N 7.102 126.775 119.914 -0.402 0.000 2.370 58 V HA 0.370 4.490 4.120 -0.000 0.000 0.279 58 V C -0.331 175.302 176.094 -0.769 0.000 1.029 58 V CA -0.323 61.683 62.300 -0.491 0.000 0.870 58 V CB 1.015 32.575 31.823 -0.439 0.000 0.984 58 V HN 0.396 nan 8.190 nan 0.000 0.451 59 F N 4.032 123.698 119.950 -0.473 0.000 2.458 59 F HA 0.569 5.096 4.527 -0.000 0.000 0.330 59 F C 0.043 175.458 175.800 -0.642 0.000 1.082 59 F CA -0.552 57.164 58.000 -0.474 0.000 0.995 59 F CB 1.736 40.621 39.000 -0.191 0.000 1.170 59 F HN 0.364 nan 8.300 nan 0.000 0.478 60 F N 3.864 123.976 119.950 0.271 0.000 2.387 60 F HA 0.256 4.783 4.527 -0.000 0.000 0.332 60 F C -1.476 174.466 175.800 0.237 0.000 1.174 60 F CA -1.769 56.363 58.000 0.220 0.000 1.257 60 F CB 0.143 39.264 39.000 0.202 0.000 1.569 60 F HN 0.296 nan 8.300 nan 0.000 0.554 61 P HA -0.200 nan 4.420 nan 0.000 0.217 61 P C 1.358 178.752 177.300 0.158 0.000 1.148 61 P CA 1.604 64.785 63.100 0.135 0.000 0.834 61 P CB 0.280 32.011 31.700 0.051 0.000 0.783 62 G N -2.052 106.872 108.800 0.206 0.000 3.337 62 G HA2 0.074 4.034 3.960 -0.000 0.000 0.246 62 G HA3 0.074 4.034 3.960 -0.000 0.000 0.246 62 G C -0.153 174.890 174.900 0.238 0.000 1.131 62 G CA -0.438 44.764 45.100 0.169 0.000 0.773 62 G HN 0.139 nan 8.290 nan 0.000 0.544 63 F N 3.229 123.313 119.950 0.223 0.000 2.590 63 F HA 0.237 4.763 4.527 -0.000 0.000 0.389 63 F C -1.491 174.447 175.800 0.230 0.000 1.049 63 F CA -2.316 55.817 58.000 0.222 0.000 1.199 63 F CB 1.023 40.171 39.000 0.247 0.000 1.058 63 F HN -0.029 nan 8.300 nan 0.000 0.556 64 P HA 0.321 nan 4.420 nan 0.000 0.231 64 P C -0.146 177.010 177.300 -0.241 0.000 1.811 64 P CA 0.306 63.275 63.100 -0.218 0.000 1.051 64 P CB 0.167 31.701 31.700 -0.277 0.000 1.951 65 G N 0.209 109.146 108.800 0.229 0.000 2.344 65 G HA2 0.025 3.985 3.960 -0.000 0.000 0.282 65 G HA3 0.025 3.985 3.960 -0.000 0.000 0.282 65 G C 0.287 175.509 174.900 0.538 0.000 1.281 65 G CA -0.375 44.896 45.100 0.285 0.000 0.877 65 G HN -0.075 nan 8.290 nan 0.000 0.494 66 S N -0.435 115.485 115.700 0.366 0.000 2.561 66 S HA 0.196 4.666 4.470 -0.000 0.000 0.225 66 S C 1.078 175.815 174.600 0.228 0.000 0.977 66 S CA 0.215 58.580 58.200 0.274 0.000 0.926 66 S CB -0.304 62.986 63.200 0.150 0.000 0.769 66 S HN 0.348 nan 8.310 nan 0.000 0.533 67 I N 1.565 122.187 120.570 0.087 0.000 2.363 67 I HA 0.111 4.281 4.170 -0.000 0.000 0.292 67 I C 0.894 177.038 176.117 0.046 0.000 1.075 67 I CA -0.163 61.009 61.300 -0.212 0.000 1.333 67 I CB 1.207 38.647 38.000 -0.933 0.000 1.415 67 I HN -0.031 nan 8.210 nan 0.000 0.502 68 V N 5.756 125.789 119.914 0.198 0.000 2.795 68 V HA 0.348 4.468 4.120 -0.000 0.000 0.243 68 V C 0.999 177.283 176.094 0.316 0.000 1.069 68 V CA 1.200 63.692 62.300 0.319 0.000 1.089 68 V CB 0.454 32.468 31.823 0.318 0.000 0.756 68 V HN 0.952 nan 8.190 nan 0.000 0.471 69 G N -1.321 107.558 108.800 0.132 0.000 2.428 69 G HA2 0.682 4.642 3.960 -0.000 0.000 0.305 69 G HA3 0.682 4.642 3.960 -0.000 0.000 0.305 69 G C -1.861 172.972 174.900 -0.112 0.000 1.260 69 G CA 0.125 45.122 45.100 -0.172 0.000 0.853 69 G HN 0.641 nan 8.290 nan 0.000 0.480 70 A N -0.511 122.165 122.820 -0.240 0.000 2.517 70 A HA 0.749 5.069 4.320 -0.000 0.000 0.297 70 A C -1.287 176.155 177.584 -0.237 0.000 1.050 70 A CA -0.455 51.505 52.037 -0.128 0.000 0.694 70 A CB 1.334 20.379 19.000 0.075 0.000 1.277 70 A HN 1.123 nan 8.150 nan 0.000 0.400 71 H N 1.485 120.281 119.070 -0.456 0.000 2.457 71 H HA 0.673 5.228 4.556 -0.000 0.000 0.335 71 H C -1.687 173.334 175.328 -0.511 0.000 1.115 71 H CA -0.279 55.548 56.048 -0.368 0.000 1.219 71 H CB 0.908 30.494 29.762 -0.292 0.000 1.471 71 H HN 0.617 nan 8.280 nan 0.000 0.491 72 Y N 1.580 121.644 120.300 -0.394 0.000 2.462 72 Y HA 0.200 4.750 4.550 -0.000 0.000 0.346 72 Y C 0.247 175.940 175.900 -0.346 0.000 0.976 72 Y CA -0.839 57.094 58.100 -0.278 0.000 1.044 72 Y CB 2.240 40.683 38.460 -0.029 0.000 1.230 72 Y HN 0.586 nan 8.280 nan 0.000 0.455 73 T N 0.221 114.750 114.554 -0.042 0.000 2.902 73 T HA 0.591 4.940 4.350 -0.000 0.000 0.283 73 T C -0.937 173.863 174.700 0.167 0.000 1.009 73 T CA -0.812 61.301 62.100 0.022 0.000 1.051 73 T CB 1.499 70.365 68.868 -0.003 0.000 0.999 73 T HN 0.467 nan 8.240 nan 0.000 0.474 74 L N 2.416 123.684 121.223 0.075 0.000 2.290 74 L HA 0.384 4.724 4.340 -0.000 0.000 0.284 74 L C 0.152 176.960 176.870 -0.103 0.000 1.078 74 L CA 0.087 54.853 54.840 -0.125 0.000 0.815 74 L CB 0.764 42.684 42.059 -0.231 0.000 1.162 74 L HN 0.751 nan 8.230 nan 0.000 0.435 75 Q N 1.833 121.556 119.800 -0.129 0.000 2.221 75 Q HA 0.251 4.590 4.340 -0.000 0.000 0.242 75 Q C 1.277 177.219 176.000 -0.097 0.000 0.940 75 Q CA 0.181 55.935 55.803 -0.082 0.000 0.896 75 Q CB 1.382 30.085 28.738 -0.059 0.000 1.226 75 Q HN 0.864 nan 8.270 nan 0.000 0.463 76 S N 0.971 116.632 115.700 -0.065 0.000 2.402 76 S HA -0.235 4.235 4.470 -0.000 0.000 0.233 76 S C 1.211 175.767 174.600 -0.074 0.000 1.030 76 S CA 1.814 59.977 58.200 -0.062 0.000 1.003 76 S CB -0.458 62.717 63.200 -0.041 0.000 0.813 76 S HN 0.810 nan 8.310 nan 0.000 0.477 77 N N 1.764 120.418 118.700 -0.075 0.000 2.521 77 N HA 0.189 4.929 4.740 -0.000 0.000 0.188 77 N C 1.262 176.708 175.510 -0.107 0.000 1.146 77 N CA 0.862 53.864 53.050 -0.079 0.000 0.893 77 N CB -0.765 37.682 38.487 -0.066 0.000 0.975 77 N HN 0.701 nan 8.380 nan 0.000 0.451 78 G N -1.082 107.632 108.800 -0.144 0.000 2.195 78 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 78 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 78 G C -0.241 174.492 174.900 -0.279 0.000 0.984 78 G CA 0.008 44.990 45.100 -0.197 0.000 0.633 78 G HN 0.493 nan 8.290 nan 0.000 0.525 79 N N -0.250 118.310 118.700 -0.233 0.000 2.489 79 N HA 0.619 5.359 4.740 -0.000 0.000 0.284 79 N C -0.267 175.085 175.510 -0.262 0.000 1.158 79 N CA -0.357 52.549 53.050 -0.239 0.000 0.965 79 N CB 0.573 38.981 38.487 -0.130 0.000 1.195 79 N HN 0.245 nan 8.380 nan 0.000 0.506 80 Y N 0.149 120.365 120.300 -0.139 0.000 2.316 80 Y HA 0.309 4.858 4.550 -0.000 0.000 0.324 80 Y C 0.936 176.855 175.900 0.031 0.000 1.267 80 Y CA -0.026 58.038 58.100 -0.060 0.000 1.311 80 Y CB 1.202 39.581 38.460 -0.134 0.000 1.267 80 Y HN 0.063 nan 8.280 nan 0.000 0.516 81 K N 2.907 123.509 120.400 0.337 0.000 2.507 81 K HA 0.195 4.515 4.320 -0.000 0.000 0.251 81 K C -1.569 175.221 176.600 0.317 0.000 0.943 81 K CA -0.811 55.631 56.287 0.260 0.000 0.794 81 K CB 1.160 33.731 32.500 0.119 0.000 1.188 81 K HN 0.566 nan 8.250 nan 0.000 0.428 82 F N 3.725 123.788 119.950 0.188 0.000 2.572 82 F HA -0.023 4.504 4.527 -0.000 0.000 0.370 82 F C 1.014 176.732 175.800 -0.136 0.000 1.103 82 F CA 0.569 58.527 58.000 -0.070 0.000 1.286 82 F CB 0.696 39.681 39.000 -0.024 0.000 1.105 82 F HN 0.750 nan 8.300 nan 0.000 0.583 83 D N 2.470 122.197 120.400 -1.121 0.000 2.845 83 D HA 0.116 4.756 4.640 -0.000 0.000 0.272 83 D C -0.598 174.956 176.300 -1.243 0.000 1.275 83 D CA 1.009 54.506 54.000 -0.839 0.000 1.029 83 D CB 0.219 40.739 40.800 -0.467 0.000 1.131 83 D HN 0.698 nan 8.370 nan 0.000 0.423 84 Q N -1.274 117.739 119.800 -1.312 0.000 2.687 84 Q HA 0.351 4.691 4.340 -0.000 0.000 0.295 84 Q C -1.081 174.718 176.000 -0.335 0.000 0.920 84 Q CA -1.023 54.305 55.803 -0.793 0.000 0.766 84 Q CB 1.099 29.647 28.738 -0.316 0.000 1.467 84 Q HN -0.040 nan 8.270 nan 0.000 0.415 85 M N 1.349 120.968 119.600 0.032 0.000 2.255 85 M HA 0.437 4.917 4.480 -0.000 0.000 0.336 85 M C -0.639 175.537 176.300 -0.207 0.000 1.135 85 M CA -0.308 55.012 55.300 0.034 0.000 1.145 85 M CB 0.450 33.113 32.600 0.105 0.000 1.473 85 M HN 0.611 nan 8.290 nan 0.000 0.462 86 L N 4.248 125.316 121.223 -0.259 0.000 2.305 86 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 86 L C -0.503 176.338 176.870 -0.048 0.000 1.013 86 L CA -0.375 54.153 54.840 -0.520 0.000 0.819 86 L CB 0.947 42.709 42.059 -0.494 0.000 1.227 86 L HN 0.607 nan 8.230 nan 0.000 0.417 87 L N 1.352 122.701 121.223 0.210 0.000 2.216 87 L HA 0.645 4.984 4.340 -0.000 0.000 0.260 87 L C 0.596 177.671 176.870 0.342 0.000 1.036 87 L CA -0.807 54.193 54.840 0.267 0.000 0.914 87 L CB 1.950 44.140 42.059 0.219 0.000 1.501 87 L HN 0.546 nan 8.230 nan 0.000 0.485 88 T N -2.604 112.103 114.554 0.254 0.000 2.847 88 T HA 0.439 4.789 4.350 -0.000 0.000 0.279 88 T C 1.033 175.825 174.700 0.154 0.000 0.984 88 T CA -0.079 62.156 62.100 0.224 0.000 0.988 88 T CB 1.475 70.483 68.868 0.233 0.000 1.040 88 T HN 0.634 nan 8.240 nan 0.000 0.528 89 A N 1.022 123.907 122.820 0.109 0.000 1.892 89 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 89 A C 1.302 178.924 177.584 0.063 0.000 1.188 89 A CA 1.600 53.671 52.037 0.056 0.000 0.631 89 A CB -0.933 18.093 19.000 0.044 0.000 0.822 89 A HN 0.981 nan 8.150 nan 0.000 0.447 90 Q N -1.417 118.430 119.800 0.078 0.000 2.351 90 Q HA 0.515 4.855 4.340 -0.000 0.000 0.273 90 Q C -0.938 175.107 176.000 0.075 0.000 1.077 90 Q CA -0.974 54.871 55.803 0.070 0.000 0.843 90 Q CB 0.758 29.537 28.738 0.068 0.000 1.367 90 Q HN 0.198 nan 8.270 nan 0.000 0.449 91 N N 1.529 120.267 118.700 0.064 0.000 2.415 91 N HA 0.105 4.845 4.740 -0.000 0.000 0.250 91 N C 0.335 175.881 175.510 0.060 0.000 1.127 91 N CA -0.043 53.044 53.050 0.062 0.000 0.945 91 N CB 0.303 38.821 38.487 0.051 0.000 1.196 91 N HN 0.802 nan 8.380 nan 0.000 0.499 92 L N 4.376 125.628 121.223 0.049 0.000 2.081 92 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 92 L C -0.668 176.267 176.870 0.108 0.000 1.080 92 L CA 1.224 56.107 54.840 0.072 0.000 0.754 92 L CB -1.131 40.868 42.059 -0.099 0.000 0.893 92 L HN 0.520 nan 8.230 nan 0.000 0.433 93 P HA -0.155 nan 4.420 nan 0.000 0.223 93 P C 1.195 178.499 177.300 0.007 0.000 1.144 93 P CA 1.430 64.546 63.100 0.025 0.000 0.783 93 P CB -0.000 31.709 31.700 0.016 0.000 0.771 94 A N -1.313 121.513 122.820 0.010 0.000 2.119 94 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 94 A C 2.003 179.546 177.584 -0.070 0.000 1.152 94 A CA 1.547 53.572 52.037 -0.020 0.000 0.708 94 A CB -0.610 18.385 19.000 -0.009 0.000 0.805 94 A HN 0.135 nan 8.150 nan 0.000 0.460 95 S N -2.611 113.028 115.700 -0.101 0.000 2.589 95 S HA 0.357 4.827 4.470 -0.000 0.000 0.235 95 S C -0.449 173.803 174.600 -0.580 0.000 1.051 95 S CA -0.256 57.737 58.200 -0.345 0.000 0.978 95 S CB 0.134 63.052 63.200 -0.471 0.000 0.929 95 S HN 0.506 nan 8.310 nan 0.000 0.523 96 Y N 0.808 121.086 120.300 -0.038 0.000 2.576 96 Y HA 0.513 5.063 4.550 -0.000 0.000 0.346 96 Y C 0.644 176.503 175.900 -0.069 0.000 1.018 96 Y CA -1.130 56.951 58.100 -0.031 0.000 1.050 96 Y CB 1.026 39.473 38.460 -0.022 0.000 1.280 96 Y HN -0.168 nan 8.280 nan 0.000 0.474 97 N N -0.303 118.451 118.700 0.090 0.000 2.348 97 N HA 0.099 4.838 4.740 -0.000 0.000 0.183 97 N C -1.243 174.020 175.510 -0.411 0.000 1.094 97 N CA 0.407 53.357 53.050 -0.165 0.000 0.885 97 N CB 0.511 38.886 38.487 -0.187 0.000 1.065 97 N HN 0.519 nan 8.380 nan 0.000 0.472 98 Y N -0.965 119.406 120.300 0.118 0.000 2.512 98 Y HA 0.542 5.092 4.550 -0.000 0.000 0.348 98 Y C -0.279 175.734 175.900 0.188 0.000 0.990 98 Y CA -1.144 57.039 58.100 0.140 0.000 1.033 98 Y CB 2.144 40.700 38.460 0.160 0.000 1.259 98 Y HN -0.161 nan 8.280 nan 0.000 0.461 99 C N 2.885 122.375 119.300 0.316 0.000 3.170 99 C HA 0.850 5.310 4.460 -0.000 0.000 0.319 99 C C -1.563 173.401 174.990 -0.045 0.000 1.260 99 C CA -0.693 58.404 59.018 0.132 0.000 1.374 99 C CB 1.840 29.572 27.740 -0.014 0.000 1.739 99 C HN 1.028 nan 8.230 nan 0.000 0.479 100 R N 2.947 123.390 120.500 -0.095 0.000 2.564 100 R HA 0.666 5.006 4.340 -0.000 0.000 0.284 100 R C -1.723 174.606 176.300 0.047 0.000 1.031 100 R CA -0.659 55.341 56.100 -0.167 0.000 0.904 100 R CB 1.603 31.552 30.300 -0.586 0.000 1.199 100 R HN 0.772 nan 8.270 nan 0.000 0.443 101 L N 5.050 126.319 121.223 0.076 0.000 2.319 101 L HA 0.220 4.560 4.340 -0.000 0.000 0.280 101 L C 0.020 176.891 176.870 0.001 0.000 1.099 101 L CA 0.472 55.308 54.840 -0.006 0.000 0.828 101 L CB 1.615 43.683 42.059 0.015 0.000 1.150 101 L HN 0.651 nan 8.230 nan 0.000 0.442 102 V N 2.718 122.593 119.914 -0.065 0.000 2.581 102 V HA 0.270 4.390 4.120 -0.000 0.000 0.240 102 V C 0.645 176.770 176.094 0.051 0.000 1.054 102 V CA 1.104 63.449 62.300 0.075 0.000 1.076 102 V CB 0.090 31.962 31.823 0.081 0.000 0.748 102 V HN 0.939 nan 8.190 nan 0.000 0.474 103 S N -0.241 115.402 115.700 -0.094 0.000 2.595 103 S HA 0.749 5.218 4.470 -0.000 0.000 0.270 103 S C -0.942 173.564 174.600 -0.157 0.000 1.145 103 S CA -0.870 57.267 58.200 -0.105 0.000 0.825 103 S CB 2.812 65.927 63.200 -0.142 0.000 1.107 103 S HN 0.458 nan 8.310 nan 0.000 0.461 104 R N 0.268 120.693 120.500 -0.126 0.000 2.604 104 R HA 0.675 5.015 4.340 -0.000 0.000 0.261 104 R C -1.873 174.342 176.300 -0.141 0.000 1.080 104 R CA 0.078 56.098 56.100 -0.133 0.000 0.917 104 R CB 1.692 31.923 30.300 -0.115 0.000 1.252 104 R HN 1.441 nan 8.270 nan 0.000 0.456 105 S N 3.491 119.096 115.700 -0.159 0.000 2.533 105 S HA 0.743 5.213 4.470 -0.000 0.000 0.271 105 S C -1.621 172.841 174.600 -0.229 0.000 1.143 105 S CA -0.824 57.241 58.200 -0.225 0.000 0.891 105 S CB 1.734 64.778 63.200 -0.260 0.000 1.105 105 S HN 0.381 nan 8.310 nan 0.000 0.468 106 L N 2.064 123.099 121.223 -0.313 0.000 2.422 106 L HA 0.795 5.135 4.340 -0.000 0.000 0.264 106 L C -0.024 176.698 176.870 -0.247 0.000 0.984 106 L CA -0.358 54.312 54.840 -0.285 0.000 0.819 106 L CB 2.699 44.460 42.059 -0.497 0.000 1.330 106 L HN 1.021 nan 8.230 nan 0.000 0.410 107 T N -0.645 113.835 114.554 -0.123 0.000 2.856 107 T HA 0.864 5.213 4.350 -0.000 0.000 0.283 107 T C -0.782 173.921 174.700 0.005 0.000 1.008 107 T CA -0.782 61.273 62.100 -0.074 0.000 0.997 107 T CB 1.725 70.561 68.868 -0.054 0.000 0.992 107 T HN 0.230 nan 8.240 nan 0.000 0.454 108 V N 3.955 123.890 119.914 0.035 0.000 2.483 108 V HA 0.798 4.917 4.120 -0.000 0.000 0.297 108 V C -0.133 175.984 176.094 0.039 0.000 1.027 108 V CA -0.902 61.440 62.300 0.069 0.000 0.855 108 V CB 1.233 33.140 31.823 0.140 0.000 0.995 108 V HN 1.183 nan 8.190 nan 0.000 0.424 109 R N 2.119 122.625 120.500 0.010 0.000 2.692 109 R HA 0.651 4.991 4.340 -0.000 0.000 0.269 109 R C -1.023 175.257 176.300 -0.034 0.000 1.030 109 R CA -0.572 55.526 56.100 -0.002 0.000 0.882 109 R CB 1.732 32.038 30.300 0.010 0.000 1.250 109 R HN 0.472 nan 8.270 nan 0.000 0.465 110 S N -0.089 115.588 115.700 -0.039 0.000 2.580 110 S HA 0.185 4.655 4.470 -0.000 0.000 0.274 110 S C 0.643 175.224 174.600 -0.032 0.000 1.329 110 S CA 0.138 58.305 58.200 -0.055 0.000 1.036 110 S CB 0.752 63.924 63.200 -0.047 0.000 0.919 110 S HN 0.690 nan 8.310 nan 0.000 0.515 111 S N 2.110 117.790 115.700 -0.034 0.000 2.733 111 S HA 0.307 4.777 4.470 -0.000 0.000 0.247 111 S C 0.334 174.923 174.600 -0.017 0.000 1.043 111 S CA -0.396 57.792 58.200 -0.020 0.000 1.066 111 S CB 0.442 63.631 63.200 -0.019 0.000 1.045 111 S HN 0.568 nan 8.310 nan 0.000 0.586 112 T N 1.319 115.860 114.554 -0.021 0.000 2.883 112 T HA 0.709 5.059 4.350 -0.000 0.000 0.301 112 T C -2.186 172.507 174.700 -0.012 0.000 1.158 112 T CA -0.595 61.496 62.100 -0.015 0.000 1.007 112 T CB 1.467 70.326 68.868 -0.015 0.000 1.186 112 T HN 0.250 nan 8.240 nan 0.000 0.499 113 L N 3.839 125.058 121.223 -0.007 0.000 2.492 113 L HA 0.409 4.749 4.340 -0.000 0.000 0.258 113 L C -1.844 175.026 176.870 -0.001 0.000 1.028 113 L CA -1.317 53.521 54.840 -0.003 0.000 0.900 113 L CB 1.126 43.184 42.059 -0.001 0.000 1.191 113 L HN 0.579 nan 8.230 nan 0.000 0.459 121 N N 1.438 120.147 118.700 0.016 0.000 2.976 121 N HA 0.597 5.337 4.740 -0.000 0.000 0.249 121 N C -0.570 174.955 175.510 0.026 0.000 1.258 121 N CA -0.296 52.764 53.050 0.017 0.000 0.864 121 N CB 2.074 40.569 38.487 0.013 0.000 1.551 121 N HN 0.998 nan 8.380 nan 0.000 0.607 122 G N 0.856 109.675 108.800 0.030 0.000 2.617 122 G HA2 0.227 4.187 3.960 -0.000 0.000 0.686 122 G HA3 0.227 4.187 3.960 -0.000 0.000 0.686 122 G C -0.728 174.216 174.900 0.073 0.000 1.214 122 G CA -0.472 44.658 45.100 0.049 0.000 0.796 122 G HN 1.104 nan 8.290 nan 0.000 0.654 123 T N -1.593 113.023 114.554 0.104 0.000 2.883 123 T HA 0.813 5.163 4.350 -0.000 0.000 0.296 123 T C -0.265 174.618 174.700 0.304 0.000 1.117 123 T CA -0.863 61.340 62.100 0.171 0.000 1.006 123 T CB 2.309 71.281 68.868 0.175 0.000 1.191 123 T HN 0.981 nan 8.240 nan 0.000 0.508 124 I N 1.720 122.475 120.570 0.307 0.000 2.509 124 I HA 0.480 4.649 4.170 -0.000 0.000 0.293 124 I C -0.825 175.403 176.117 0.186 0.000 1.020 124 I CA -0.975 60.517 61.300 0.320 0.000 1.088 124 I CB 2.120 40.248 38.000 0.214 0.000 1.267 124 I HN 0.545 nan 8.210 nan 0.000 0.430 125 N N 4.021 122.723 118.700 0.002 0.000 2.321 125 N HA 0.813 5.553 4.740 -0.000 0.000 0.299 125 N C -1.244 174.197 175.510 -0.114 0.000 1.048 125 N CA -0.441 52.465 53.050 -0.241 0.000 0.836 125 N CB 2.344 40.359 38.487 -0.787 0.000 1.269 125 N HN 0.712 nan 8.380 nan 0.000 0.486 126 A N 0.921 123.699 122.820 -0.071 0.000 2.515 126 A HA 0.807 5.127 4.320 -0.000 0.000 0.298 126 A C -1.349 176.210 177.584 -0.043 0.000 1.059 126 A CA -0.645 51.377 52.037 -0.026 0.000 0.698 126 A CB 1.533 20.549 19.000 0.026 0.000 1.289 126 A HN 0.415 nan 8.150 nan 0.000 0.404 127 V N 0.710 120.608 119.914 -0.026 0.000 3.048 127 V HA 0.701 4.821 4.120 -0.000 0.000 0.303 127 V C -0.908 175.197 176.094 0.019 0.000 1.214 127 V CA -0.235 62.052 62.300 -0.020 0.000 0.984 127 V CB 2.680 34.482 31.823 -0.034 0.000 1.054 127 V HN 1.036 nan 8.190 nan 0.000 0.430 128 T N 6.281 120.850 114.554 0.026 0.000 2.756 128 T HA 0.507 4.857 4.350 -0.000 0.000 0.290 128 T C -0.910 173.865 174.700 0.125 0.000 0.985 128 T CA 0.012 62.145 62.100 0.055 0.000 0.955 128 T CB 0.658 69.528 68.868 0.002 0.000 0.930 128 T HN 0.501 nan 8.240 nan 0.000 0.451 129 F N 2.680 122.613 119.950 -0.028 0.000 2.421 129 F HA 0.337 4.864 4.527 -0.000 0.000 0.337 129 F C 1.108 176.902 175.800 -0.009 0.000 1.105 129 F CA -1.077 56.910 58.000 -0.022 0.000 1.049 129 F CB 1.434 40.421 39.000 -0.021 0.000 1.139 129 F HN 0.503 nan 8.300 nan 0.000 0.479 130 Q N 3.690 123.138 119.800 -0.587 0.000 2.373 130 Q HA 0.212 4.552 4.340 -0.000 0.000 0.206 130 Q C 0.545 176.084 176.000 -0.769 0.000 0.942 130 Q CA 0.190 55.667 55.803 -0.544 0.000 0.953 130 Q CB 0.204 28.750 28.738 -0.320 0.000 1.022 130 Q HN 0.899 nan 8.270 nan 0.000 0.502 131 G N -0.299 107.626 108.800 -1.458 0.000 3.209 131 G HA2 0.467 4.427 3.960 -0.000 0.000 0.236 131 G HA3 0.467 4.427 3.960 -0.000 0.000 0.236 131 G C -0.704 174.083 174.900 -0.187 0.000 1.329 131 G CA -0.534 44.099 45.100 -0.779 0.000 1.015 131 G HN 0.197 nan 8.290 nan 0.000 0.571 132 S N -0.937 114.842 115.700 0.131 0.000 2.722 132 S HA 0.394 4.864 4.470 -0.000 0.000 0.292 132 S C 1.247 176.050 174.600 0.337 0.000 1.135 132 S CA -0.570 57.773 58.200 0.239 0.000 1.003 132 S CB 1.640 64.952 63.200 0.188 0.000 1.067 132 S HN 0.622 nan 8.310 nan 0.000 0.546 133 L N 1.939 123.312 121.223 0.251 0.000 2.010 133 L HA -0.192 4.148 4.340 -0.000 0.000 0.219 133 L C 2.487 179.419 176.870 0.102 0.000 1.077 133 L CA 2.813 57.722 54.840 0.116 0.000 0.773 133 L CB -1.396 40.679 42.059 0.026 0.000 0.892 133 L HN 0.993 nan 8.230 nan 0.000 0.436 134 S N -1.784 114.003 115.700 0.146 0.000 2.547 134 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 134 S C 1.473 176.157 174.600 0.141 0.000 0.980 134 S CA 0.899 59.184 58.200 0.141 0.000 0.941 134 S CB -0.688 62.581 63.200 0.115 0.000 0.763 134 S HN 0.712 nan 8.310 nan 0.000 0.532 135 E N 0.552 120.879 120.200 0.212 0.000 2.478 135 E HA 0.218 4.567 4.350 -0.000 0.000 0.194 135 E C -0.106 176.585 176.600 0.150 0.000 1.045 135 E CA -0.198 56.354 56.400 0.254 0.000 0.868 135 E CB -0.063 29.866 29.700 0.382 0.000 0.885 135 E HN 0.535 nan 8.360 nan 0.000 0.505 136 L N 1.798 122.967 121.223 -0.090 0.000 2.453 136 L HA -0.011 4.329 4.340 -0.000 0.000 0.272 136 L C 1.746 178.516 176.870 -0.168 0.000 1.182 136 L CA 0.246 54.824 54.840 -0.436 0.000 0.858 136 L CB 0.719 42.493 42.059 -0.475 0.000 1.120 136 L HN 0.109 nan 8.230 nan 0.000 0.474 137 T N -2.979 111.476 114.554 -0.164 0.000 3.065 137 T HA 0.065 4.415 4.350 -0.000 0.000 0.252 137 T C 0.211 174.876 174.700 -0.059 0.000 1.099 137 T CA -0.031 62.029 62.100 -0.066 0.000 1.063 137 T CB 0.130 68.978 68.868 -0.035 0.000 0.948 137 T HN 0.535 nan 8.240 nan 0.000 0.506 138 D N 1.001 121.348 120.400 -0.089 0.000 2.764 138 D HA 0.225 4.865 4.640 -0.000 0.000 0.227 138 D C 0.103 176.374 176.300 -0.048 0.000 1.347 138 D CA -0.641 53.330 54.000 -0.049 0.000 0.953 138 D CB 2.069 42.842 40.800 -0.046 0.000 1.476 138 D HN 0.082 nan 8.370 nan 0.000 0.585 139 V N 1.570 121.501 119.914 0.028 0.000 3.121 139 V HA 0.348 4.468 4.120 -0.000 0.000 0.344 139 V C 0.613 176.798 176.094 0.152 0.000 1.390 139 V CA -0.108 62.236 62.300 0.074 0.000 1.177 139 V CB -0.576 31.364 31.823 0.195 0.000 1.163 139 V HN 0.440 nan 8.190 nan 0.000 0.484 140 S N -0.965 114.792 115.700 0.096 0.000 2.603 140 S HA 0.355 4.824 4.470 -0.000 0.000 0.268 140 S C 0.771 175.441 174.600 0.117 0.000 1.317 140 S CA 0.037 58.306 58.200 0.115 0.000 1.012 140 S CB 0.942 64.179 63.200 0.061 0.000 0.926 140 S HN 0.456 nan 8.310 nan 0.000 0.539 141 Y N 2.533 122.853 120.300 0.033 0.000 2.062 141 Y HA -0.303 4.247 4.550 -0.000 0.000 0.276 141 Y C 2.050 177.958 175.900 0.013 0.000 1.189 141 Y CA 2.592 60.706 58.100 0.022 0.000 1.130 141 Y CB -0.433 38.035 38.460 0.012 0.000 0.959 141 Y HN 0.705 nan 8.280 nan 0.000 0.499 142 N N -0.281 118.502 118.700 0.138 0.000 2.333 142 N HA -0.044 4.696 4.740 -0.000 0.000 0.178 142 N C 1.994 177.486 175.510 -0.031 0.000 1.018 142 N CA 1.059 54.127 53.050 0.029 0.000 0.882 142 N CB -0.723 37.835 38.487 0.119 0.000 0.984 142 N HN 0.546 nan 8.380 nan 0.000 0.434 143 G N 1.700 110.493 108.800 -0.012 0.000 2.432 143 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 143 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 143 G C 1.645 176.506 174.900 -0.066 0.000 1.135 143 G CA 0.290 45.372 45.100 -0.031 0.000 0.767 143 G HN 0.223 nan 8.290 nan 0.000 0.550 144 L N 0.143 121.310 121.223 -0.094 0.000 2.127 144 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 144 L C 2.801 179.608 176.870 -0.104 0.000 1.089 144 L CA 0.604 55.373 54.840 -0.118 0.000 0.757 144 L CB -0.459 41.514 42.059 -0.142 0.000 0.899 144 L HN 0.144 nan 8.230 nan 0.000 0.434 145 M N -0.492 119.044 119.600 -0.107 0.000 2.530 145 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 145 M C 1.794 178.063 176.300 -0.051 0.000 1.067 145 M CA 1.250 56.501 55.300 -0.082 0.000 1.071 145 M CB -1.121 31.433 32.600 -0.077 0.000 1.405 145 M HN 0.227 nan 8.290 nan 0.000 0.478 146 S N -0.688 114.984 115.700 -0.047 0.000 2.539 146 S HA 0.352 4.822 4.470 -0.000 0.000 0.221 146 S C 1.841 176.432 174.600 -0.016 0.000 0.987 146 S CA 0.295 58.479 58.200 -0.027 0.000 0.929 146 S CB 0.037 63.223 63.200 -0.023 0.000 0.832 146 S HN 0.465 nan 8.310 nan 0.000 0.492 147 A N 1.650 124.450 122.820 -0.033 0.000 2.024 147 A HA 0.041 4.360 4.320 -0.000 0.000 0.220 147 A C 1.362 179.025 177.584 0.131 0.000 1.164 147 A CA 1.610 53.639 52.037 -0.013 0.000 0.643 147 A CB -0.256 18.680 19.000 -0.106 0.000 0.806 147 A HN 0.440 nan 8.150 nan 0.000 0.451 148 T N -3.957 110.644 114.554 0.078 0.000 2.896 148 T HA 0.569 4.919 4.350 -0.000 0.000 0.297 148 T C 0.310 175.023 174.700 0.022 0.000 1.108 148 T CA 0.083 62.226 62.100 0.071 0.000 1.004 148 T CB 1.760 70.664 68.868 0.059 0.000 1.159 148 T HN 0.448 nan 8.240 nan 0.000 0.499 149 A N 2.506 125.333 122.820 0.011 0.000 2.303 149 A HA 0.328 4.648 4.320 -0.000 0.000 0.217 149 A C 0.553 178.126 177.584 -0.020 0.000 1.205 149 A CA -0.159 51.874 52.037 -0.005 0.000 0.875 149 A CB -0.143 18.854 19.000 -0.004 0.000 0.910 149 A HN 0.722 nan 8.150 nan 0.000 0.501 150 N N 0.899 119.584 118.700 -0.026 0.000 2.420 150 N HA 0.114 4.853 4.740 -0.000 0.000 0.262 150 N C 0.600 176.075 175.510 -0.058 0.000 1.144 150 N CA -0.265 52.759 53.050 -0.044 0.000 0.952 150 N CB 1.255 39.711 38.487 -0.052 0.000 1.081 150 N HN 0.188 nan 8.380 nan 0.000 0.480 151 I N 2.268 122.801 120.570 -0.062 0.000 2.423 151 I HA -0.192 3.977 4.170 -0.000 0.000 0.254 151 I C 1.047 177.098 176.117 -0.110 0.000 1.151 151 I CA 1.271 62.528 61.300 -0.073 0.000 1.421 151 I CB -0.144 37.818 38.000 -0.063 0.000 1.079 151 I HN 0.400 nan 8.210 nan 0.000 0.431 152 N N 0.537 119.157 118.700 -0.132 0.000 2.370 152 N HA 0.001 4.741 4.740 -0.000 0.000 0.198 152 N C 0.161 175.544 175.510 -0.213 0.000 1.156 152 N CA 0.380 53.307 53.050 -0.206 0.000 0.839 152 N CB 0.041 38.396 38.487 -0.220 0.000 0.989 152 N HN 0.414 nan 8.380 nan 0.000 0.468 153 D N 0.370 120.684 120.400 -0.143 0.000 2.535 153 D HA 0.082 4.722 4.640 -0.000 0.000 0.229 153 D C 0.154 176.402 176.300 -0.086 0.000 1.238 153 D CA 0.197 54.128 54.000 -0.114 0.000 0.824 153 D CB 0.870 41.626 40.800 -0.073 0.000 1.045 153 D HN 0.394 nan 8.370 nan 0.000 0.500 154 K N -0.288 120.052 120.400 -0.100 0.000 2.532 154 K HA 0.673 4.993 4.320 -0.000 0.000 0.265 154 K C -1.526 175.025 176.600 -0.082 0.000 0.948 154 K CA -0.882 55.359 56.287 -0.077 0.000 0.842 154 K CB 2.565 35.028 32.500 -0.061 0.000 1.392 154 K HN -0.175 nan 8.250 nan 0.000 0.436 155 I N 0.610 121.143 120.570 -0.062 0.000 2.680 155 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 155 I C -1.232 174.866 176.117 -0.031 0.000 1.244 155 I CA 0.044 61.320 61.300 -0.040 0.000 1.042 155 I CB 2.377 40.366 38.000 -0.019 0.000 1.277 155 I HN 0.882 nan 8.210 nan 0.000 0.423 156 G N 4.104 112.895 108.800 -0.015 0.000 2.452 156 G HA2 0.427 4.386 3.960 -0.000 0.000 0.324 156 G HA3 0.427 4.386 3.960 -0.000 0.000 0.324 156 G C -0.431 174.496 174.900 0.046 0.000 1.214 156 G CA -0.541 44.554 45.100 -0.008 0.000 0.947 156 G HN 0.657 nan 8.290 nan 0.000 0.478 157 N N -0.592 118.163 118.700 0.092 0.000 2.714 157 N HA -0.165 4.575 4.740 -0.000 0.000 0.252 157 N C 0.282 175.863 175.510 0.119 0.000 1.014 157 N CA 0.653 53.794 53.050 0.152 0.000 0.735 157 N CB -0.921 37.647 38.487 0.135 0.000 0.924 157 N HN 0.383 nan 8.380 nan 0.000 0.540 158 V N 0.972 120.956 119.914 0.117 0.000 2.583 158 V HA 0.163 4.283 4.120 -0.000 0.000 0.287 158 V C 1.388 177.546 176.094 0.107 0.000 1.051 158 V CA -0.622 61.739 62.300 0.101 0.000 1.010 158 V CB 1.204 33.087 31.823 0.100 0.000 0.988 158 V HN 0.175 nan 8.190 nan 0.000 0.478 159 L N 4.834 126.108 121.223 0.085 0.000 2.453 159 L HA 0.073 4.413 4.340 -0.000 0.000 0.272 159 L C 1.586 178.500 176.870 0.074 0.000 1.182 159 L CA -0.066 54.819 54.840 0.075 0.000 0.858 159 L CB 0.904 42.997 42.059 0.056 0.000 1.120 159 L HN 0.761 nan 8.230 nan 0.000 0.474 160 V N 0.578 120.535 119.914 0.071 0.000 2.490 160 V HA -0.126 3.993 4.120 -0.000 0.000 0.250 160 V C 1.985 178.097 176.094 0.030 0.000 1.061 160 V CA 1.897 64.230 62.300 0.054 0.000 1.064 160 V CB -1.133 30.710 31.823 0.034 0.000 0.670 160 V HN 0.997 nan 8.190 nan 0.000 0.461 161 G N -0.517 108.300 108.800 0.028 0.000 2.422 161 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.218 161 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.218 161 G C 1.456 176.372 174.900 0.027 0.000 1.140 161 G CA 0.814 45.926 45.100 0.020 0.000 0.775 161 G HN 0.604 nan 8.290 nan 0.000 0.545 162 E N -0.562 119.661 120.200 0.038 0.000 2.076 162 E HA 0.318 4.668 4.350 -0.000 0.000 0.190 162 E C 1.398 178.027 176.600 0.048 0.000 0.979 162 E CA 0.443 56.870 56.400 0.045 0.000 0.807 162 E CB 0.047 29.779 29.700 0.055 0.000 0.761 162 E HN 0.459 nan 8.360 nan 0.000 0.454 163 G N -0.190 108.643 108.800 0.055 0.000 2.707 163 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.686 163 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.686 163 G C -0.893 174.051 174.900 0.073 0.000 1.315 163 G CA -0.508 44.626 45.100 0.056 0.000 0.832 163 G HN 0.176 nan 8.290 nan 0.000 0.573 164 V N 0.429 120.385 119.914 0.070 0.000 2.769 164 V HA 0.853 4.973 4.120 -0.000 0.000 0.312 164 V C 0.361 176.471 176.094 0.026 0.000 1.061 164 V CA -0.159 62.187 62.300 0.078 0.000 0.931 164 V CB 2.418 34.297 31.823 0.093 0.000 1.010 164 V HN 1.170 nan 8.190 nan 0.000 0.433 165 T N 3.381 117.943 114.554 0.014 0.000 2.824 165 T HA 0.528 4.878 4.350 -0.000 0.000 0.282 165 T C -0.682 173.959 174.700 -0.099 0.000 0.993 165 T CA -0.314 61.699 62.100 -0.145 0.000 0.967 165 T CB 1.553 70.174 68.868 -0.411 0.000 0.960 165 T HN 0.341 nan 8.240 nan 0.000 0.441 166 V N 4.711 124.497 119.914 -0.214 0.000 2.370 166 V HA 0.479 4.599 4.120 -0.000 0.000 0.279 166 V C -0.399 175.556 176.094 -0.230 0.000 1.029 166 V CA -0.734 61.441 62.300 -0.208 0.000 0.870 166 V CB 1.138 32.714 31.823 -0.411 0.000 0.984 166 V HN 0.633 nan 8.190 nan 0.000 0.451 167 L N 4.770 125.931 121.223 -0.102 0.000 2.333 167 L HA 0.586 4.926 4.340 -0.000 0.000 0.280 167 L C 0.227 177.063 176.870 -0.057 0.000 1.004 167 L CA 0.335 55.119 54.840 -0.092 0.000 0.820 167 L CB 2.036 44.128 42.059 0.054 0.000 1.247 167 L HN 0.597 nan 8.230 nan 0.000 0.416 168 S N 5.410 121.067 115.700 -0.071 0.000 2.448 168 S HA 0.570 5.040 4.470 -0.000 0.000 0.279 168 S C -0.408 174.183 174.600 -0.016 0.000 1.195 168 S CA -0.475 57.700 58.200 -0.042 0.000 1.051 168 S CB -0.278 62.897 63.200 -0.042 0.000 0.948 168 S HN 0.556 nan 8.310 nan 0.000 0.493 169 L N 6.796 128.009 121.223 -0.017 0.000 2.331 169 L HA 0.548 4.888 4.340 -0.000 0.000 0.275 169 L C -1.684 175.161 176.870 -0.043 0.000 1.022 169 L CA -2.292 52.541 54.840 -0.012 0.000 0.812 169 L CB 1.326 43.370 42.059 -0.025 0.000 1.257 169 L HN 0.506 nan 8.230 nan 0.000 0.435 170 P HA -0.036 nan 4.420 nan 0.000 0.266 170 P C -0.288 176.868 177.300 -0.240 0.000 1.193 170 P CA 0.015 62.977 63.100 -0.229 0.000 0.770 170 P CB 0.786 32.145 31.700 -0.568 0.000 0.836 171 T N -0.574 113.826 114.554 -0.257 0.000 3.504 171 T HA 0.434 4.784 4.350 -0.000 0.000 0.286 171 T C -0.386 174.148 174.700 -0.276 0.000 1.530 171 T CA -0.118 61.852 62.100 -0.216 0.000 1.652 171 T CB -1.159 67.621 68.868 -0.146 0.000 0.895 171 T HN 0.761 nan 8.240 nan 0.000 0.674 172 S N 1.489 116.976 115.700 -0.355 0.000 3.114 172 S HA -0.072 4.398 4.470 -0.000 0.000 0.851 172 S C -1.104 173.233 174.600 -0.439 0.000 1.015 172 S CA -0.531 57.465 58.200 -0.339 0.000 1.274 172 S CB -0.991 62.071 63.200 -0.229 0.000 0.901 172 S HN 0.719 nan 8.310 nan 0.000 0.248 173 Y N 1.393 121.651 120.300 -0.069 0.000 2.730 173 Y HA 0.479 5.029 4.550 -0.000 0.000 0.325 173 Y C 1.032 176.889 175.900 -0.073 0.000 1.132 173 Y CA -0.417 57.640 58.100 -0.071 0.000 1.206 173 Y CB 0.732 39.151 38.460 -0.067 0.000 1.390 173 Y HN 0.820 nan 8.280 nan 0.000 0.555 174 D N 1.021 121.515 120.400 0.157 0.000 2.723 174 D HA -0.182 4.457 4.640 -0.000 0.000 0.236 174 D C -1.104 175.220 176.300 0.040 0.000 1.138 174 D CA 0.782 54.822 54.000 0.067 0.000 0.676 174 D CB -1.015 39.815 40.800 0.049 0.000 1.069 174 D HN 0.269 nan 8.370 nan 0.000 0.430 175 L N -0.072 121.172 121.223 0.034 0.000 2.375 175 L HA 0.492 4.832 4.340 -0.000 0.000 0.271 175 L C 1.767 178.709 176.870 0.120 0.000 1.107 175 L CA -0.245 54.599 54.840 0.007 0.000 0.806 175 L CB 1.177 43.177 42.059 -0.098 0.000 1.146 175 L HN 0.040 nan 8.230 nan 0.000 0.447 176 G N 0.403 109.343 108.800 0.234 0.000 2.562 176 G HA2 0.239 4.199 3.960 -0.000 0.000 0.275 176 G HA3 0.239 4.199 3.960 -0.000 0.000 0.275 176 G C -1.002 174.027 174.900 0.216 0.000 1.196 176 G CA -0.334 44.908 45.100 0.235 0.000 0.908 176 G HN 0.326 nan 8.290 nan 0.000 0.524 177 Y N -0.952 119.394 120.300 0.078 0.000 2.397 177 Y HA 0.298 4.848 4.550 -0.000 0.000 0.335 177 Y C 0.858 176.792 175.900 0.057 0.000 1.213 177 Y CA 0.080 58.219 58.100 0.064 0.000 1.391 177 Y CB 1.204 39.674 38.460 0.017 0.000 1.293 177 Y HN 0.145 nan 8.280 nan 0.000 0.557 178 V N 4.360 124.307 119.914 0.054 0.000 2.532 178 V HA 0.385 4.504 4.120 -0.000 0.000 0.295 178 V C -0.056 176.071 176.094 0.054 0.000 1.041 178 V CA -1.216 61.018 62.300 -0.110 0.000 0.926 178 V CB 1.542 33.047 31.823 -0.530 0.000 0.992 178 V HN 0.548 nan 8.190 nan 0.000 0.457 179 R N 2.593 123.071 120.500 -0.036 0.000 2.491 179 R HA 0.277 4.616 4.340 -0.000 0.000 0.283 179 R C 0.468 176.639 176.300 -0.215 0.000 1.072 179 R CA 0.200 56.114 56.100 -0.310 0.000 1.048 179 R CB 0.242 30.404 30.300 -0.231 0.000 0.983 179 R HN 0.693 nan 8.270 nan 0.000 0.450 180 L N 3.307 124.394 121.223 -0.227 0.000 2.591 180 L HA 0.227 4.566 4.340 -0.000 0.000 0.228 180 L C 1.101 177.935 176.870 -0.059 0.000 1.133 180 L CA 0.731 55.502 54.840 -0.114 0.000 0.880 180 L CB 0.121 42.134 42.059 -0.077 0.000 1.033 180 L HN 1.082 nan 8.230 nan 0.000 0.450 181 G N 0.554 109.308 108.800 -0.078 0.000 2.160 181 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 181 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 181 G C -0.026 174.852 174.900 -0.036 0.000 1.022 181 G CA 0.234 45.312 45.100 -0.037 0.000 0.741 181 G HN 0.528 nan 8.290 nan 0.000 0.508 182 D N -0.093 120.267 120.400 -0.066 0.000 2.368 182 D HA 0.387 5.027 4.640 -0.000 0.000 0.240 182 D C -2.464 173.808 176.300 -0.046 0.000 1.169 182 D CA -1.382 52.585 54.000 -0.054 0.000 0.906 182 D CB 0.885 41.639 40.800 -0.077 0.000 1.187 182 D HN 0.189 nan 8.370 nan 0.000 0.435 183 P HA 0.258 nan 4.420 nan 0.000 0.278 183 P C -0.344 176.936 177.300 -0.032 0.000 1.238 183 P CA -0.430 62.654 63.100 -0.028 0.000 0.794 183 P CB 0.732 32.419 31.700 -0.020 0.000 0.955 184 I N -0.828 119.726 120.570 -0.027 0.000 2.750 184 I HA 0.678 4.848 4.170 -0.000 0.000 0.308 184 I C -2.492 173.614 176.117 -0.019 0.000 1.016 184 I CA -3.301 57.983 61.300 -0.026 0.000 1.098 184 I CB 1.191 39.176 38.000 -0.026 0.000 1.279 184 I HN 0.074 nan 8.210 nan 0.000 0.454 185 P HA 0.380 nan 4.420 nan 0.000 0.267 185 P C -0.894 176.399 177.300 -0.011 0.000 1.209 185 P CA 0.113 63.204 63.100 -0.014 0.000 0.763 185 P CB 0.726 32.418 31.700 -0.012 0.000 0.816 186 A N 3.187 126.001 122.820 -0.010 0.000 2.608 186 A HA 0.787 5.107 4.320 -0.000 0.000 0.292 186 A C -1.266 176.314 177.584 -0.007 0.000 1.066 186 A CA -0.629 51.403 52.037 -0.008 0.000 0.676 186 A CB 1.069 20.064 19.000 -0.008 0.000 1.277 186 A HN 0.526 nan 8.150 nan 0.000 0.413 187 I N -1.557 119.010 120.570 -0.005 0.000 2.802 187 I HA 0.942 5.111 4.170 -0.000 0.000 0.298 187 I C -0.047 176.068 176.117 -0.004 0.000 1.176 187 I CA -0.803 60.494 61.300 -0.004 0.000 1.025 187 I CB 2.359 40.356 38.000 -0.004 0.000 1.243 187 I HN 1.122 nan 8.210 nan 0.000 0.424 188 G N 3.562 112.360 108.800 -0.003 0.000 2.698 188 G HA2 0.488 4.448 3.960 -0.000 0.000 0.293 188 G HA3 0.488 4.448 3.960 -0.000 0.000 0.293 188 G C -0.147 174.752 174.900 -0.002 0.000 1.437 188 G CA -0.891 44.208 45.100 -0.002 0.000 0.852 188 G HN 0.716 nan 8.290 nan 0.000 0.499 189 L N -0.384 120.838 121.223 -0.002 0.000 2.141 189 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 189 L C 0.856 177.725 176.870 -0.001 0.000 1.094 189 L CA 0.737 55.576 54.840 -0.001 0.000 0.763 189 L CB 0.087 42.145 42.059 -0.002 0.000 0.908 189 L HN 0.380 nan 8.230 nan 0.000 0.437 190 D N 0.576 120.975 120.400 -0.001 0.000 2.295 190 D HA 0.079 4.719 4.640 -0.000 0.000 0.248 190 D C -1.432 174.868 176.300 0.000 0.000 1.154 190 D CA -2.031 51.969 54.000 -0.000 0.000 0.857 190 D CB 1.601 42.401 40.800 -0.000 0.000 1.117 190 D HN -0.031 nan 8.370 nan 0.000 0.468 191 P HA -0.076 nan 4.420 nan 0.000 0.226 191 P C 0.471 177.773 177.300 0.002 0.000 1.153 191 P CA 0.654 63.755 63.100 0.001 0.000 0.777 191 P CB 0.439 32.140 31.700 0.002 0.000 0.794 192 K N -0.829 119.573 120.400 0.003 0.000 2.417 192 K HA 0.169 4.489 4.320 -0.000 0.000 0.196 192 K C 1.240 177.842 176.600 0.003 0.000 1.023 192 K CA -0.285 56.005 56.287 0.004 0.000 1.122 192 K CB -0.107 32.396 32.500 0.005 0.000 0.850 192 K HN 0.231 nan 8.250 nan 0.000 0.521 193 M N 2.072 121.673 119.600 0.002 0.000 2.249 193 M HA 0.036 4.515 4.480 -0.000 0.000 0.340 193 M C -0.890 175.411 176.300 0.001 0.000 1.166 193 M CA 0.633 55.934 55.300 0.001 0.000 1.115 193 M CB 0.597 33.197 32.600 -0.000 0.000 1.606 193 M HN -0.222 nan 8.290 nan 0.000 0.448 194 V N 4.188 124.102 119.914 0.001 0.000 2.709 194 V HA 0.809 4.929 4.120 -0.000 0.000 0.308 194 V C -0.708 175.385 176.094 -0.002 0.000 1.062 194 V CA -0.838 61.462 62.300 0.001 0.000 0.901 194 V CB 1.709 33.534 31.823 0.004 0.000 1.003 194 V HN 0.963 nan 8.190 nan 0.000 0.425 195 A N 3.067 125.883 122.820 -0.006 0.000 2.385 195 A HA 0.912 5.231 4.320 -0.000 0.000 0.290 195 A C -0.255 177.320 177.584 -0.016 0.000 1.094 195 A CA -0.333 51.698 52.037 -0.010 0.000 0.729 195 A CB 1.629 20.623 19.000 -0.011 0.000 1.194 195 A HN 0.952 nan 8.150 nan 0.000 0.442 196 T N -1.901 112.641 114.554 -0.020 0.000 2.887 196 T HA 0.603 4.952 4.350 -0.000 0.000 0.292 196 T C -0.677 173.997 174.700 -0.043 0.000 1.087 196 T CA -0.753 61.330 62.100 -0.029 0.000 1.009 196 T CB 1.440 70.295 68.868 -0.022 0.000 1.203 196 T HN 1.004 nan 8.240 nan 0.000 0.518 197 C N 2.257 121.521 119.300 -0.059 0.000 2.281 197 C HA 0.635 5.095 4.460 -0.000 0.000 0.323 197 C C -0.674 174.265 174.990 -0.086 0.000 1.270 197 C CA -0.411 58.561 59.018 -0.076 0.000 1.559 197 C CB -1.197 26.489 27.740 -0.091 0.000 2.239 197 C HN 0.852 nan 8.230 nan 0.000 0.488 198 D N 2.683 123.034 120.400 -0.081 0.000 2.332 198 D HA 0.298 4.938 4.640 -0.000 0.000 0.252 198 D C -0.059 176.204 176.300 -0.062 0.000 1.050 198 D CA -0.013 53.949 54.000 -0.063 0.000 0.970 198 D CB 1.412 42.184 40.800 -0.046 0.000 1.141 198 D HN 0.488 nan 8.370 nan 0.000 0.485 199 S N -0.212 115.465 115.700 -0.038 0.000 2.515 199 S HA 0.168 4.638 4.470 -0.000 0.000 0.285 199 S C 1.005 175.608 174.600 0.005 0.000 1.265 199 S CA -0.096 58.074 58.200 -0.051 0.000 1.079 199 S CB 0.232 63.391 63.200 -0.069 0.000 0.877 199 S HN 0.515 nan 8.310 nan 0.000 0.493 200 S N 1.428 117.131 115.700 0.005 0.000 2.918 200 S HA 0.127 4.597 4.470 -0.000 0.000 0.264 200 S C -0.390 174.252 174.600 0.069 0.000 1.078 200 S CA -0.534 57.694 58.200 0.047 0.000 0.918 200 S CB -0.378 62.816 63.200 -0.011 0.000 0.882 200 S HN 0.556 nan 8.310 nan 0.000 0.466 201 D N 3.525 123.961 120.400 0.060 0.000 2.571 201 D HA 0.224 4.864 4.640 -0.000 0.000 0.231 201 D C 0.188 176.558 176.300 0.116 0.000 1.133 201 D CA 0.754 54.807 54.000 0.087 0.000 0.862 201 D CB -0.045 40.818 40.800 0.106 0.000 1.179 201 D HN 0.207 nan 8.370 nan 0.000 0.474 202 R N -0.540 120.021 120.500 0.102 0.000 3.184 202 R HA -0.101 4.239 4.340 -0.000 0.000 0.257 202 R C -2.449 173.897 176.300 0.076 0.000 0.999 202 R CA -0.044 56.112 56.100 0.093 0.000 0.670 202 R CB -1.881 28.506 30.300 0.144 0.000 1.197 202 R HN 0.451 nan 8.270 nan 0.000 0.419 203 P HA 0.057 nan 4.420 nan 0.000 0.272 203 P C -0.229 177.065 177.300 -0.011 0.000 1.230 203 P CA -0.012 63.118 63.100 0.050 0.000 0.788 203 P CB 0.737 32.479 31.700 0.070 0.000 0.949 204 R N 1.104 121.576 120.500 -0.047 0.000 2.474 204 R HA 0.559 4.899 4.340 -0.000 0.000 0.295 204 R C -1.380 174.809 176.300 -0.185 0.000 0.980 204 R CA -0.779 55.233 56.100 -0.147 0.000 0.934 204 R CB 1.039 31.231 30.300 -0.179 0.000 1.101 204 R HN 0.274 nan 8.270 nan 0.000 0.469 205 V N 4.760 124.517 119.914 -0.260 0.000 2.577 205 V HA 0.375 4.494 4.120 -0.000 0.000 0.303 205 V C -1.382 174.566 176.094 -0.242 0.000 1.042 205 V CA -0.763 61.434 62.300 -0.173 0.000 0.872 205 V CB 1.655 33.428 31.823 -0.084 0.000 0.998 205 V HN 0.697 nan 8.190 nan 0.000 0.423 206 Y N 1.545 121.816 120.300 -0.048 0.000 2.360 206 Y HA 0.636 5.186 4.550 -0.000 0.000 0.337 206 Y C 0.683 176.535 175.900 -0.080 0.000 1.039 206 Y CA -0.540 57.526 58.100 -0.057 0.000 1.109 206 Y CB 2.256 40.685 38.460 -0.052 0.000 1.201 206 Y HN 0.518 nan 8.280 nan 0.000 0.458 207 T N 5.241 119.833 114.554 0.064 0.000 2.786 207 T HA 0.587 4.937 4.350 -0.000 0.000 0.283 207 T C -0.554 174.094 174.700 -0.085 0.000 0.992 207 T CA -0.524 61.560 62.100 -0.027 0.000 0.954 207 T CB 0.343 69.188 68.868 -0.038 0.000 0.934 207 T HN 0.376 nan 8.240 nan 0.000 0.440 208 I N 2.662 123.128 120.570 -0.174 0.000 2.418 208 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 208 I C 0.168 176.097 176.117 -0.314 0.000 1.008 208 I CA -0.687 60.425 61.300 -0.313 0.000 1.104 208 I CB 1.954 39.622 38.000 -0.553 0.000 1.264 208 I HN 0.459 nan 8.210 nan 0.000 0.438 209 T N 5.736 120.134 114.554 -0.260 0.000 2.891 209 T HA 0.266 4.616 4.350 -0.000 0.000 0.315 209 T C 1.089 175.651 174.700 -0.229 0.000 1.054 209 T CA -0.273 61.711 62.100 -0.193 0.000 0.958 209 T CB 1.185 69.981 68.868 -0.119 0.000 1.008 209 T HN 0.765 nan 8.240 nan 0.000 0.521 210 A N 2.963 125.638 122.820 -0.241 0.000 1.968 210 A HA 0.555 4.875 4.320 -0.000 0.000 0.217 210 A C 1.221 178.789 177.584 -0.027 0.000 1.169 210 A CA 0.691 52.644 52.037 -0.139 0.000 0.638 210 A CB 0.084 19.139 19.000 0.093 0.000 0.812 210 A HN 0.862 nan 8.150 nan 0.000 0.446 211 A N -0.911 121.893 122.820 -0.026 0.000 2.540 211 A HA 0.546 4.866 4.320 -0.000 0.000 0.297 211 A C -1.897 175.704 177.584 0.027 0.000 1.056 211 A CA -0.284 51.770 52.037 0.029 0.000 0.700 211 A CB 1.098 20.155 19.000 0.094 0.000 1.280 211 A HN 0.047 nan 8.150 nan 0.000 0.398 212 D N 2.056 122.499 120.400 0.071 0.000 2.378 212 D HA 0.388 5.028 4.640 -0.000 0.000 0.265 212 D C -0.561 175.803 176.300 0.106 0.000 1.229 212 D CA 0.280 54.316 54.000 0.059 0.000 0.914 212 D CB 0.184 41.006 40.800 0.036 0.000 1.140 212 D HN 0.480 nan 8.370 nan 0.000 0.516 213 D N 1.868 122.339 120.400 0.118 0.000 2.835 213 D HA -0.280 4.360 4.640 -0.000 0.000 0.230 213 D C -0.502 175.919 176.300 0.202 0.000 1.130 213 D CA 0.427 54.514 54.000 0.146 0.000 0.738 213 D CB -1.422 39.446 40.800 0.113 0.000 1.090 213 D HN 0.464 nan 8.370 nan 0.000 0.433 214 Y N 1.434 121.804 120.300 0.117 0.000 2.442 214 Y HA 0.173 4.722 4.550 -0.000 0.000 0.330 214 Y C 0.561 176.569 175.900 0.181 0.000 1.129 214 Y CA 0.289 58.474 58.100 0.143 0.000 1.365 214 Y CB 0.638 39.206 38.460 0.179 0.000 1.233 214 Y HN -0.069 nan 8.280 nan 0.000 0.529 215 Q N 7.343 126.792 119.800 -0.585 0.000 2.331 215 Q HA 0.187 4.527 4.340 -0.000 0.000 0.257 215 Q C -1.457 174.003 176.000 -0.900 0.000 0.957 215 Q CA -0.549 54.938 55.803 -0.527 0.000 0.923 215 Q CB 1.604 30.174 28.738 -0.280 0.000 1.212 215 Q HN 0.708 nan 8.270 nan 0.000 0.443 216 F N 1.694 121.090 119.950 -0.923 0.000 2.443 216 F HA 0.532 5.059 4.527 -0.000 0.000 0.335 216 F C -0.642 174.756 175.800 -0.669 0.000 1.104 216 F CA -0.454 56.936 58.000 -1.018 0.000 1.013 216 F CB 1.645 39.485 39.000 -1.933 0.000 1.136 216 F HN 0.336 nan 8.300 nan 0.000 0.470 217 S N 4.245 119.150 115.700 -1.325 0.000 2.543 217 S HA 0.699 5.169 4.470 -0.000 0.000 0.271 217 S C -1.436 172.572 174.600 -0.988 0.000 1.148 217 S CA -0.324 57.248 58.200 -1.047 0.000 0.914 217 S CB 1.293 64.192 63.200 -0.503 0.000 1.096 217 S HN 1.071 nan 8.310 nan 0.000 0.471 218 S N 2.939 118.191 115.700 -0.746 0.000 2.565 218 S HA 0.390 4.860 4.470 -0.000 0.000 0.274 218 S C -1.790 172.706 174.600 -0.173 0.000 1.144 218 S CA -0.551 57.405 58.200 -0.406 0.000 0.849 218 S CB 1.677 64.650 63.200 -0.378 0.000 1.103 218 S HN 0.808 nan 8.310 nan 0.000 0.455 219 Q N 2.116 121.866 119.800 -0.083 0.000 2.352 219 Q HA 0.177 4.516 4.340 -0.000 0.000 0.260 219 Q C -0.650 175.387 176.000 0.063 0.000 0.976 219 Q CA -0.124 55.682 55.803 0.005 0.000 0.881 219 Q CB 0.414 29.156 28.738 0.007 0.000 1.235 219 Q HN 0.758 nan 8.270 nan 0.000 0.419 220 Y N 2.982 123.286 120.300 0.006 0.000 2.709 220 Y HA -0.130 4.420 4.550 -0.000 0.000 0.348 220 Y C -0.523 175.397 175.900 0.032 0.000 1.267 220 Y CA 0.955 59.075 58.100 0.034 0.000 1.486 220 Y CB 0.559 39.038 38.460 0.032 0.000 1.356 220 Y HN 0.525 nan 8.280 nan 0.000 0.639 221 Q N 3.058 122.199 119.800 -1.098 0.000 2.352 221 Q HA 0.157 4.497 4.340 -0.000 0.000 0.270 221 Q C -1.345 174.043 176.000 -1.021 0.000 1.006 221 Q CA -0.820 54.516 55.803 -0.779 0.000 0.880 221 Q CB 2.126 30.680 28.738 -0.308 0.000 1.392 221 Q HN 0.781 nan 8.270 nan 0.000 0.401 222 S N -0.219 115.120 115.700 -0.602 0.000 2.549 222 S HA 0.392 4.862 4.470 -0.000 0.000 0.286 222 S C 1.095 175.589 174.600 -0.177 0.000 1.314 222 S CA 1.803 59.841 58.200 -0.271 0.000 1.062 222 S CB 0.156 63.346 63.200 -0.017 0.000 0.865 222 S HN 0.937 nan 8.310 nan 0.000 0.498 223 G N 2.690 111.431 108.800 -0.099 0.000 2.213 223 G HA2 0.066 4.025 3.960 -0.000 0.000 0.236 223 G HA3 0.066 4.025 3.960 -0.000 0.000 0.236 223 G C 1.098 175.965 174.900 -0.055 0.000 0.991 223 G CA 0.215 45.281 45.100 -0.056 0.000 0.629 223 G HN 2.117 nan 8.290 nan 0.000 0.517 224 G N -2.137 106.603 108.800 -0.100 0.000 2.781 224 G HA2 0.247 4.207 3.960 -0.000 0.000 0.683 224 G HA3 0.247 4.207 3.960 -0.000 0.000 0.683 224 G C -0.383 174.506 174.900 -0.018 0.000 1.390 224 G CA 0.025 45.099 45.100 -0.043 0.000 0.850 224 G HN 1.506 nan 8.290 nan 0.000 0.557 225 V N 1.293 121.240 119.914 0.055 0.000 2.398 225 V HA 0.651 4.771 4.120 -0.000 0.000 0.286 225 V C 0.786 176.945 176.094 0.108 0.000 1.026 225 V CA -0.082 62.277 62.300 0.099 0.000 0.868 225 V CB 1.668 33.616 31.823 0.209 0.000 0.982 225 V HN 1.003 nan 8.190 nan 0.000 0.443 226 T N 6.936 121.539 114.554 0.082 0.000 2.875 226 T HA 0.702 5.051 4.350 -0.000 0.000 0.284 226 T C -0.225 174.538 174.700 0.104 0.000 0.995 226 T CA -0.080 62.066 62.100 0.077 0.000 1.060 226 T CB 0.793 69.690 68.868 0.049 0.000 0.967 226 T HN 0.670 nan 8.240 nan 0.000 0.476 227 I N -0.848 119.789 120.570 0.111 0.000 2.969 227 I HA 0.670 4.840 4.170 -0.000 0.000 0.307 227 I C -0.910 175.262 176.117 0.092 0.000 1.149 227 I CA -0.895 60.483 61.300 0.129 0.000 1.008 227 I CB 2.633 40.764 38.000 0.217 0.000 1.232 227 I HN 0.343 nan 8.210 nan 0.000 0.435 228 T N 4.916 119.506 114.554 0.061 0.000 2.821 228 T HA 0.265 4.615 4.350 -0.000 0.000 0.307 228 T C 0.691 175.400 174.700 0.014 0.000 1.034 228 T CA -0.290 61.813 62.100 0.005 0.000 0.953 228 T CB 1.231 70.079 68.868 -0.034 0.000 0.968 228 T HN 0.586 nan 8.240 nan 0.000 0.462 229 L N 4.370 125.605 121.223 0.019 0.000 2.046 229 L HA 0.205 4.545 4.340 -0.000 0.000 0.208 229 L C 0.200 177.130 176.870 0.100 0.000 1.077 229 L CA 1.868 56.748 54.840 0.067 0.000 0.747 229 L CB -0.369 41.789 42.059 0.164 0.000 0.896 229 L HN 0.731 nan 8.230 nan 0.000 0.432 230 F N -3.531 116.419 119.950 0.001 0.000 2.741 230 F HA 0.600 5.127 4.527 -0.000 0.000 0.311 230 F C -0.818 174.976 175.800 -0.009 0.000 1.149 230 F CA -0.983 57.002 58.000 -0.024 0.000 0.930 230 F CB 0.594 39.568 39.000 -0.043 0.000 1.312 230 F HN -0.314 nan 8.300 nan 0.000 0.450 231 S N 1.387 117.263 115.700 0.294 0.000 2.619 231 S HA 0.901 5.371 4.470 -0.000 0.000 0.280 231 S C -1.443 173.305 174.600 0.246 0.000 1.150 231 S CA 0.206 58.512 58.200 0.177 0.000 0.978 231 S CB 1.056 64.277 63.200 0.035 0.000 1.041 231 S HN 1.725 nan 8.310 nan 0.000 0.485 232 A N 4.037 126.991 122.820 0.222 0.000 2.475 232 A HA 0.751 5.071 4.320 -0.000 0.000 0.301 232 A C -1.008 176.575 177.584 -0.002 0.000 1.059 232 A CA -0.911 51.176 52.037 0.083 0.000 0.710 232 A CB 1.161 20.174 19.000 0.023 0.000 1.288 232 A HN 0.746 nan 8.150 nan 0.000 0.408 233 N N 1.318 119.998 118.700 -0.033 0.000 2.458 233 N HA 0.569 5.309 4.740 -0.000 0.000 0.270 233 N C -0.427 174.976 175.510 -0.178 0.000 1.102 233 N CA 0.212 53.232 53.050 -0.049 0.000 0.967 233 N CB 1.004 39.498 38.487 0.010 0.000 1.078 233 N HN 0.753 nan 8.380 nan 0.000 0.471 234 I N -1.980 118.454 120.570 -0.227 0.000 3.095 234 I HA 0.576 4.746 4.170 -0.000 0.000 0.310 234 I C -1.297 174.757 176.117 -0.106 0.000 1.196 234 I CA -0.924 60.081 61.300 -0.492 0.000 0.985 234 I CB 2.873 40.380 38.000 -0.821 0.000 1.250 234 I HN 0.046 nan 8.210 nan 0.000 0.446 235 D N 2.431 122.874 120.400 0.072 0.000 2.498 235 D HA 0.751 5.391 4.640 -0.000 0.000 0.247 235 D C -1.095 175.270 176.300 0.109 0.000 1.070 235 D CA -0.232 53.839 54.000 0.117 0.000 0.842 235 D CB 2.440 43.341 40.800 0.169 0.000 1.361 235 D HN 0.914 nan 8.370 nan 0.000 0.484 236 A N 1.735 124.585 122.820 0.049 0.000 2.540 236 A HA 0.535 4.855 4.320 -0.000 0.000 0.297 236 A C -0.351 177.215 177.584 -0.030 0.000 1.056 236 A CA -0.508 51.544 52.037 0.024 0.000 0.700 236 A CB 0.862 19.876 19.000 0.023 0.000 1.280 236 A HN 0.540 nan 8.150 nan 0.000 0.398 237 I N 0.346 120.880 120.570 -0.060 0.000 4.197 237 I HA 0.141 4.311 4.170 -0.000 0.000 0.307 237 I C 1.163 177.243 176.117 -0.062 0.000 1.236 237 I CA 0.963 62.183 61.300 -0.133 0.000 1.321 237 I CB 0.727 38.545 38.000 -0.304 0.000 1.309 237 I HN 0.775 nan 8.210 nan 0.000 0.450 238 T N -1.277 113.280 114.554 0.006 0.000 2.762 238 T HA 0.426 4.775 4.350 -0.000 0.000 0.272 238 T C 0.297 175.037 174.700 0.067 0.000 0.982 238 T CA -0.467 61.662 62.100 0.048 0.000 1.013 238 T CB 1.168 70.098 68.868 0.103 0.000 1.309 238 T HN 0.138 nan 8.240 nan 0.000 0.572 239 S N 0.580 116.343 115.700 0.106 0.000 2.571 239 S HA 0.309 4.778 4.470 -0.000 0.000 0.298 239 S C 0.028 174.711 174.600 0.139 0.000 1.280 239 S CA -0.311 57.985 58.200 0.159 0.000 1.052 239 S CB -1.043 62.292 63.200 0.226 0.000 0.799 239 S HN 1.242 nan 8.310 nan 0.000 0.501 240 L N -0.677 120.563 121.223 0.030 0.000 2.491 240 L HA 0.947 5.287 4.340 -0.000 0.000 0.254 240 L C -0.853 175.947 176.870 -0.117 0.000 1.048 240 L CA -1.042 53.656 54.840 -0.237 0.000 0.855 240 L CB 1.787 43.779 42.059 -0.111 0.000 1.466 240 L HN 0.630 nan 8.230 nan 0.000 0.409 241 S N 0.639 116.234 115.700 -0.174 0.000 2.570 241 S HA 0.816 5.286 4.470 -0.000 0.000 0.286 241 S C -0.735 173.868 174.600 0.004 0.000 1.099 241 S CA -0.553 57.647 58.200 -0.000 0.000 0.913 241 S CB 1.836 65.081 63.200 0.075 0.000 1.085 241 S HN 0.566 nan 8.310 nan 0.000 0.480 242 I N 1.524 122.123 120.570 0.049 0.000 2.468 242 I HA 0.625 4.795 4.170 -0.000 0.000 0.285 242 I C 0.256 176.427 176.117 0.090 0.000 1.039 242 I CA -0.476 60.853 61.300 0.049 0.000 1.074 242 I CB 1.868 39.909 38.000 0.069 0.000 1.228 242 I HN 0.780 nan 8.210 nan 0.000 0.436 243 G N 3.028 111.857 108.800 0.048 0.000 2.714 243 G HA2 0.910 4.870 3.960 -0.000 0.000 0.292 243 G HA3 0.910 4.870 3.960 -0.000 0.000 0.292 243 G C -0.482 174.435 174.900 0.029 0.000 1.308 243 G CA -0.521 44.632 45.100 0.089 0.000 0.964 243 G HN 0.994 nan 8.290 nan 0.000 0.484 244 G N -1.171 107.692 108.800 0.106 0.000 2.293 244 G HA2 0.431 4.390 3.960 -0.000 0.000 0.282 244 G HA3 0.431 4.390 3.960 -0.000 0.000 0.282 244 G C -1.283 173.766 174.900 0.249 0.000 1.299 244 G CA 0.088 45.223 45.100 0.058 0.000 1.018 244 G HN 0.976 nan 8.290 nan 0.000 0.478 245 E N -1.267 119.056 120.200 0.205 0.000 2.388 245 E HA 0.546 4.895 4.350 -0.000 0.000 0.282 245 E C -1.533 175.187 176.600 0.201 0.000 1.026 245 E CA -0.758 55.814 56.400 0.288 0.000 0.820 245 E CB 1.694 31.476 29.700 0.136 0.000 1.226 245 E HN 0.593 nan 8.360 nan 0.000 0.432 246 L N 2.933 124.298 121.223 0.237 0.000 2.334 246 L HA 0.622 4.962 4.340 -0.000 0.000 0.276 246 L C -0.793 176.026 176.870 -0.086 0.000 1.014 246 L CA -1.143 53.713 54.840 0.027 0.000 0.815 246 L CB 1.937 44.036 42.059 0.068 0.000 1.268 246 L HN 0.329 nan 8.230 nan 0.000 0.428 247 V N 2.523 122.279 119.914 -0.264 0.000 2.384 247 V HA 0.427 4.547 4.120 -0.000 0.000 0.287 247 V C -0.541 175.273 176.094 -0.466 0.000 1.020 247 V CA -0.499 61.653 62.300 -0.247 0.000 0.850 247 V CB 1.296 32.980 31.823 -0.232 0.000 0.987 247 V HN 0.369 nan 8.190 nan 0.000 0.436 248 F N 2.708 122.504 119.950 -0.257 0.000 2.450 248 F HA 0.614 5.140 4.527 -0.000 0.000 0.332 248 F C 0.470 176.163 175.800 -0.178 0.000 1.093 248 F CA -0.310 57.541 58.000 -0.249 0.000 1.003 248 F CB 1.430 40.236 39.000 -0.324 0.000 1.151 248 F HN 0.496 nan 8.300 nan 0.000 0.474 249 H N -0.057 119.160 119.070 0.245 0.000 2.572 249 H HA 0.616 5.172 4.556 -0.000 0.000 0.359 249 H C -0.631 174.840 175.328 0.239 0.000 1.134 249 H CA -0.833 55.325 56.048 0.183 0.000 1.187 249 H CB 2.339 32.182 29.762 0.135 0.000 1.597 249 H HN 0.577 nan 8.280 nan 0.000 0.524 250 T N 0.499 115.226 114.554 0.289 0.000 2.889 250 T HA 0.210 4.559 4.350 -0.000 0.000 0.315 250 T C 0.035 174.780 174.700 0.075 0.000 1.291 250 T CA -0.490 61.739 62.100 0.215 0.000 1.028 250 T CB 1.662 70.661 68.868 0.217 0.000 1.235 250 T HN 0.508 nan 8.240 nan 0.000 0.491 251 S N 1.032 116.757 115.700 0.041 0.000 2.520 251 S HA 0.298 4.768 4.470 -0.000 0.000 0.219 251 S C 0.355 174.887 174.600 -0.114 0.000 1.028 251 S CA -0.108 58.070 58.200 -0.036 0.000 0.921 251 S CB 0.393 63.597 63.200 0.008 0.000 0.844 251 S HN 0.598 nan 8.310 nan 0.000 0.495 252 V N 3.646 123.533 119.914 -0.044 0.000 2.607 252 V HA 0.283 4.403 4.120 -0.000 0.000 0.289 252 V C 0.132 176.158 176.094 -0.113 0.000 1.053 252 V CA -0.564 61.729 62.300 -0.012 0.000 0.996 252 V CB 0.654 32.526 31.823 0.083 0.000 0.995 252 V HN 0.423 nan 8.190 nan 0.000 0.476 253 H N 2.269 121.378 119.070 0.065 0.000 2.495 253 H HA 0.406 4.962 4.556 -0.000 0.000 0.350 253 H C 1.268 176.628 175.328 0.055 0.000 1.202 253 H CA 0.452 56.532 56.048 0.053 0.000 1.322 253 H CB 1.484 31.267 29.762 0.034 0.000 1.544 253 H HN 0.933 nan 8.280 nan 0.000 0.565 254 G N 1.239 110.135 108.800 0.160 0.000 2.168 254 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 254 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 254 G C 0.153 175.109 174.900 0.094 0.000 0.977 254 G CA 0.120 45.284 45.100 0.108 0.000 0.659 254 G HN 0.418 nan 8.290 nan 0.000 0.533 255 L N 0.393 121.672 121.223 0.093 0.000 2.371 255 L HA 0.680 5.020 4.340 -0.000 0.000 0.272 255 L C 0.675 177.561 176.870 0.026 0.000 1.124 255 L CA -0.038 54.861 54.840 0.098 0.000 0.816 255 L CB 1.552 43.704 42.059 0.156 0.000 1.129 255 L HN 0.363 nan 8.230 nan 0.000 0.448 256 A N 4.312 127.137 122.820 0.009 0.000 2.414 256 A HA 0.830 5.150 4.320 -0.000 0.000 0.306 256 A C -0.977 176.537 177.584 -0.117 0.000 1.054 256 A CA -0.558 51.442 52.037 -0.062 0.000 0.724 256 A CB 1.382 20.362 19.000 -0.032 0.000 1.267 256 A HN 0.610 nan 8.150 nan 0.000 0.418 257 L N 1.374 122.464 121.223 -0.221 0.000 2.334 257 L HA 0.592 4.931 4.340 -0.000 0.000 0.273 257 L C -0.947 175.795 176.870 -0.213 0.000 1.013 257 L CA -0.832 53.835 54.840 -0.288 0.000 0.816 257 L CB 2.015 43.728 42.059 -0.576 0.000 1.278 257 L HN 0.620 nan 8.230 nan 0.000 0.431 258 D N 1.947 122.245 120.400 -0.171 0.000 2.757 258 D HA 0.609 5.248 4.640 -0.000 0.000 0.249 258 D C -1.048 175.179 176.300 -0.121 0.000 1.168 258 D CA -0.177 53.747 54.000 -0.127 0.000 0.870 258 D CB 2.765 43.519 40.800 -0.077 0.000 1.411 258 D HN 0.585 nan 8.370 nan 0.000 0.525 259 A N 1.752 124.492 122.820 -0.133 0.000 2.393 259 A HA 0.724 5.044 4.320 -0.000 0.000 0.306 259 A C -0.538 176.974 177.584 -0.120 0.000 1.050 259 A CA -0.510 51.466 52.037 -0.102 0.000 0.724 259 A CB 1.818 20.753 19.000 -0.108 0.000 1.248 259 A HN 0.339 nan 8.150 nan 0.000 0.424 260 T N 2.872 117.361 114.554 -0.109 0.000 2.861 260 T HA 0.515 4.865 4.350 -0.000 0.000 0.287 260 T C -0.565 173.954 174.700 -0.301 0.000 1.003 260 T CA -0.340 61.611 62.100 -0.248 0.000 0.977 260 T CB 0.979 69.632 68.868 -0.358 0.000 0.996 260 T HN 0.468 nan 8.240 nan 0.000 0.448 261 I N 3.091 123.469 120.570 -0.321 0.000 2.392 261 I HA 0.422 4.592 4.170 -0.000 0.000 0.295 261 I C -0.906 174.974 176.117 -0.396 0.000 0.985 261 I CA -0.780 60.402 61.300 -0.197 0.000 1.221 261 I CB 1.165 39.167 38.000 0.004 0.000 1.366 261 I HN 0.678 nan 8.210 nan 0.000 0.467 262 Y N 5.759 126.039 120.300 -0.033 0.000 2.376 262 Y HA 0.506 5.056 4.550 -0.000 0.000 0.340 262 Y C -0.186 175.696 175.900 -0.029 0.000 0.965 262 Y CA -0.736 57.345 58.100 -0.032 0.000 1.078 262 Y CB 1.891 40.323 38.460 -0.047 0.000 1.193 262 Y HN 0.261 nan 8.280 nan 0.000 0.452 263 L N 5.326 126.625 121.223 0.125 0.000 2.298 263 L HA 0.465 4.805 4.340 -0.000 0.000 0.284 263 L C -0.899 176.011 176.870 0.066 0.000 1.013 263 L CA -0.697 54.183 54.840 0.068 0.000 0.824 263 L CB 0.761 42.841 42.059 0.035 0.000 1.221 263 L HN 0.484 nan 8.230 nan 0.000 0.418 264 I N 2.183 122.781 120.570 0.047 0.000 2.488 264 I HA 0.431 4.600 4.170 -0.000 0.000 0.299 264 I C 0.951 177.086 176.117 0.031 0.000 0.984 264 I CA -0.268 61.049 61.300 0.029 0.000 1.250 264 I CB 1.422 39.425 38.000 0.005 0.000 1.389 264 I HN 0.514 nan 8.210 nan 0.000 0.488 265 G N 2.739 111.558 108.800 0.032 0.000 2.528 265 G HA2 0.236 4.195 3.960 -0.000 0.000 0.289 265 G HA3 0.236 4.195 3.960 -0.000 0.000 0.289 265 G C 0.346 175.309 174.900 0.105 0.000 1.192 265 G CA -0.342 44.798 45.100 0.066 0.000 0.921 265 G HN 0.551 nan 8.290 nan 0.000 0.512 266 F N 0.698 120.653 119.950 0.009 0.000 2.250 266 F HA -0.126 4.401 4.527 -0.000 0.000 0.301 266 F C 2.131 177.901 175.800 -0.051 0.000 1.077 266 F CA 1.890 59.844 58.000 -0.076 0.000 1.348 266 F CB 0.187 39.039 39.000 -0.246 0.000 1.040 266 F HN 0.440 nan 8.300 nan 0.000 0.509 267 D N -1.220 119.175 120.400 -0.008 0.000 2.319 267 D HA 0.175 4.814 4.640 -0.000 0.000 0.230 267 D C 1.819 178.087 176.300 -0.053 0.000 1.094 267 D CA 0.713 54.692 54.000 -0.035 0.000 0.856 267 D CB -0.478 40.463 40.800 0.235 0.000 0.915 267 D HN 0.392 nan 8.370 nan 0.000 0.517 268 G N -0.697 108.060 108.800 -0.071 0.000 2.199 268 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.254 268 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.254 268 G C 0.555 175.437 174.900 -0.031 0.000 0.982 268 G CA 0.396 45.459 45.100 -0.063 0.000 0.632 268 G HN 0.490 nan 8.290 nan 0.000 0.529 269 T N 1.824 116.379 114.554 0.002 0.000 2.860 269 T HA 0.492 4.842 4.350 -0.000 0.000 0.299 269 T C 0.657 175.363 174.700 0.010 0.000 1.045 269 T CA 0.841 62.948 62.100 0.012 0.000 1.071 269 T CB 0.981 69.876 68.868 0.045 0.000 0.985 269 T HN 0.211 nan 8.240 nan 0.000 0.537 270 T N 2.514 117.078 114.554 0.015 0.000 2.780 270 T HA 0.263 4.613 4.350 -0.000 0.000 0.294 270 T C 1.308 176.036 174.700 0.046 0.000 0.949 270 T CA -0.601 61.526 62.100 0.045 0.000 1.074 270 T CB 0.938 69.855 68.868 0.082 0.000 0.910 270 T HN 0.355 nan 8.240 nan 0.000 0.501 271 V N 3.407 123.346 119.914 0.042 0.000 2.795 271 V HA 0.259 4.378 4.120 -0.000 0.000 0.243 271 V C 0.548 176.658 176.094 0.027 0.000 1.069 271 V CA 0.583 62.892 62.300 0.016 0.000 1.089 271 V CB 0.055 31.872 31.823 -0.012 0.000 0.756 271 V HN 0.699 nan 8.190 nan 0.000 0.471 272 I N 0.730 121.327 120.570 0.044 0.000 2.722 272 I HA 0.483 4.652 4.170 -0.000 0.000 0.295 272 I C -0.523 175.610 176.117 0.028 0.000 1.161 272 I CA -0.010 61.307 61.300 0.028 0.000 1.032 272 I CB 1.979 39.985 38.000 0.011 0.000 1.244 272 I HN 0.260 nan 8.210 nan 0.000 0.421 273 T N 2.584 117.124 114.554 -0.023 0.000 2.886 273 T HA 0.816 5.165 4.350 -0.000 0.000 0.292 273 T C -0.594 174.013 174.700 -0.155 0.000 1.012 273 T CA -0.787 61.222 62.100 -0.152 0.000 0.982 273 T CB 2.565 71.355 68.868 -0.130 0.000 1.018 273 T HN 0.458 nan 8.240 nan 0.000 0.451 274 R N 1.343 121.714 120.500 -0.216 0.000 2.621 274 R HA 0.801 5.141 4.340 -0.000 0.000 0.284 274 R C -0.489 175.708 176.300 -0.172 0.000 0.998 274 R CA -0.625 55.391 56.100 -0.140 0.000 0.895 274 R CB 1.860 32.115 30.300 -0.075 0.000 1.195 274 R HN 1.057 nan 8.270 nan 0.000 0.450 275 A N 2.260 124.998 122.820 -0.135 0.000 2.409 275 A HA 0.391 4.711 4.320 -0.000 0.000 0.262 275 A C 0.342 177.837 177.584 -0.149 0.000 1.113 275 A CA -0.292 51.660 52.037 -0.141 0.000 0.790 275 A CB 0.614 19.548 19.000 -0.110 0.000 1.046 275 A HN 0.533 nan 8.150 nan 0.000 0.496 276 V N 1.335 121.132 119.914 -0.194 0.000 3.484 276 V HA 0.419 4.539 4.120 -0.000 0.000 0.252 276 V C 0.918 176.831 176.094 -0.302 0.000 1.282 276 V CA 1.333 63.453 62.300 -0.301 0.000 1.104 276 V CB 0.226 31.787 31.823 -0.437 0.000 0.868 276 V HN 1.127 nan 8.190 nan 0.000 0.457 277 A N -0.599 122.082 122.820 -0.232 0.000 2.455 277 A HA 0.783 5.102 4.320 -0.000 0.000 0.300 277 A C -0.689 176.802 177.584 -0.155 0.000 1.040 277 A CA -0.237 51.677 52.037 -0.205 0.000 0.697 277 A CB 2.013 20.871 19.000 -0.237 0.000 1.265 277 A HN 0.055 nan 8.150 nan 0.000 0.407 278 S N 1.715 117.336 115.700 -0.131 0.000 2.779 278 S HA 0.497 4.967 4.470 -0.000 0.000 0.293 278 S C -0.504 174.042 174.600 -0.090 0.000 1.150 278 S CA 0.142 58.282 58.200 -0.100 0.000 1.057 278 S CB 0.577 63.729 63.200 -0.081 0.000 1.021 278 S HN 1.252 nan 8.310 nan 0.000 0.485 279 D N 2.836 123.184 120.400 -0.087 0.000 2.723 279 D HA -0.203 4.437 4.640 -0.000 0.000 0.236 279 D C -0.422 175.827 176.300 -0.086 0.000 1.138 279 D CA 0.837 54.794 54.000 -0.072 0.000 0.676 279 D CB -1.167 39.605 40.800 -0.048 0.000 1.069 279 D HN 0.559 nan 8.370 nan 0.000 0.430 280 N N 0.088 118.713 118.700 -0.126 0.000 2.402 280 N HA 0.395 5.135 4.740 -0.000 0.000 0.252 280 N C 0.297 175.721 175.510 -0.144 0.000 1.118 280 N CA 0.555 53.521 53.050 -0.140 0.000 0.945 280 N CB 0.600 38.974 38.487 -0.188 0.000 1.147 280 N HN 0.298 nan 8.380 nan 0.000 0.495 281 G N 3.016 111.760 108.800 -0.093 0.000 2.432 281 G HA2 0.402 4.362 3.960 -0.000 0.000 0.257 281 G HA3 0.402 4.362 3.960 -0.000 0.000 0.257 281 G C -0.145 174.708 174.900 -0.079 0.000 1.238 281 G CA -0.510 44.547 45.100 -0.071 0.000 0.838 281 G HN 0.617 nan 8.290 nan 0.000 0.547 282 L N 1.493 122.674 121.223 -0.069 0.000 2.289 282 L HA 0.360 4.700 4.340 -0.000 0.000 0.285 282 L C 0.465 177.333 176.870 -0.004 0.000 1.049 282 L CA -0.571 54.238 54.840 -0.052 0.000 0.804 282 L CB 1.669 43.694 42.059 -0.057 0.000 1.195 282 L HN 0.352 nan 8.230 nan 0.000 0.428 283 T N 1.213 115.774 114.554 0.010 0.000 2.837 283 T HA 0.199 4.549 4.350 -0.000 0.000 0.285 283 T C 0.263 174.973 174.700 0.017 0.000 0.984 283 T CA -0.268 61.845 62.100 0.022 0.000 1.049 283 T CB 1.449 70.336 68.868 0.032 0.000 0.947 283 T HN 0.511 nan 8.240 nan 0.000 0.472 284 T N 2.211 116.749 114.554 -0.026 0.000 2.918 284 T HA 0.407 4.757 4.350 -0.000 0.000 0.302 284 T C 1.343 176.046 174.700 0.006 0.000 1.045 284 T CA 1.026 63.086 62.100 -0.067 0.000 1.114 284 T CB 0.294 69.007 68.868 -0.258 0.000 0.965 284 T HN 0.964 nan 8.240 nan 0.000 0.540 285 G N 2.704 111.512 108.800 0.014 0.000 2.321 285 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.287 285 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.287 285 G C -0.013 174.914 174.900 0.045 0.000 1.018 285 G CA -0.038 45.072 45.100 0.016 0.000 0.855 285 G HN 0.544 nan 8.290 nan 0.000 0.507 286 I N -0.816 119.813 120.570 0.099 0.000 3.074 286 I HA 0.367 4.536 4.170 -0.000 0.000 0.310 286 I C -0.776 175.468 176.117 0.211 0.000 1.153 286 I CA -1.453 59.917 61.300 0.116 0.000 0.993 286 I CB 1.939 39.984 38.000 0.076 0.000 1.237 286 I HN -0.119 nan 8.210 nan 0.000 0.443 287 D N 3.616 124.123 120.400 0.177 0.000 2.325 287 D HA 0.186 4.826 4.640 -0.000 0.000 0.251 287 D C -0.187 176.157 176.300 0.073 0.000 1.196 287 D CA 0.064 54.151 54.000 0.145 0.000 0.866 287 D CB 0.586 41.450 40.800 0.108 0.000 1.101 287 D HN 0.243 nan 8.370 nan 0.000 0.476 288 N N 3.008 121.744 118.700 0.059 0.000 2.426 288 N HA 0.227 4.966 4.740 -0.000 0.000 0.257 288 N C -0.274 175.270 175.510 0.056 0.000 1.002 288 N CA -0.350 52.732 53.050 0.053 0.000 0.942 288 N CB 1.726 40.247 38.487 0.056 0.000 1.112 288 N HN 0.248 nan 8.380 nan 0.000 0.499 289 L N 2.499 123.741 121.223 0.031 0.000 2.275 289 L HA 0.467 4.807 4.340 -0.000 0.000 0.288 289 L C 0.399 177.282 176.870 0.020 0.000 1.046 289 L CA -0.268 54.591 54.840 0.031 0.000 0.805 289 L CB 1.227 43.297 42.059 0.017 0.000 1.193 289 L HN 0.374 nan 8.230 nan 0.000 0.426 290 M N 7.263 126.892 119.600 0.048 0.000 2.016 290 M HA 0.418 4.898 4.480 -0.000 0.000 0.315 290 M C -2.617 173.655 176.300 -0.048 0.000 0.930 290 M CA -1.615 53.670 55.300 -0.025 0.000 0.899 290 M CB 1.590 34.213 32.600 0.039 0.000 1.401 290 M HN 0.209 nan 8.290 nan 0.000 0.386 291 P HA 0.330 nan 4.420 nan 0.000 0.279 291 P C -1.438 175.776 177.300 -0.143 0.000 1.252 291 P CA -0.129 62.978 63.100 0.012 0.000 0.811 291 P CB 0.883 32.590 31.700 0.012 0.000 1.035 292 F N 0.940 120.895 119.950 0.009 0.000 2.467 292 F HA 0.384 4.910 4.527 -0.000 0.000 0.336 292 F C 0.965 176.771 175.800 0.009 0.000 1.123 292 F CA -0.245 57.761 58.000 0.009 0.000 0.964 292 F CB 1.365 40.377 39.000 0.020 0.000 1.136 292 F HN 0.183 nan 8.300 nan 0.000 0.447 293 N N 5.416 124.192 118.700 0.126 0.000 2.703 293 N HA 0.256 4.996 4.740 -0.000 0.000 0.283 293 N C -1.403 174.151 175.510 0.074 0.000 1.851 293 N CA -0.140 52.964 53.050 0.089 0.000 0.826 293 N CB 1.238 39.751 38.487 0.044 0.000 1.239 293 N HN 0.395 nan 8.380 nan 0.000 0.495 294 L N 0.968 122.254 121.223 0.104 0.000 2.295 294 L HA 0.587 4.927 4.340 -0.000 0.000 0.285 294 L C -0.103 176.812 176.870 0.074 0.000 1.035 294 L CA -0.892 53.995 54.840 0.078 0.000 0.806 294 L CB 1.875 43.989 42.059 0.091 0.000 1.214 294 L HN -0.146 nan 8.230 nan 0.000 0.426 295 V N 4.640 124.592 119.914 0.063 0.000 2.483 295 V HA 0.385 4.505 4.120 -0.000 0.000 0.297 295 V C -0.396 175.735 176.094 0.062 0.000 1.027 295 V CA -0.352 61.996 62.300 0.080 0.000 0.855 295 V CB 2.098 33.969 31.823 0.081 0.000 0.995 295 V HN 0.440 nan 8.190 nan 0.000 0.424 296 I N 8.672 129.281 120.570 0.065 0.000 2.330 296 I HA 0.418 4.588 4.170 -0.000 0.000 0.286 296 I C -2.060 174.094 176.117 0.061 0.000 1.025 296 I CA -2.111 59.217 61.300 0.047 0.000 1.197 296 I CB 1.804 39.823 38.000 0.031 0.000 1.358 296 I HN 0.424 nan 8.210 nan 0.000 0.467 297 P HA 0.145 nan 4.420 nan 0.000 0.274 297 P C 0.554 177.878 177.300 0.039 0.000 1.231 297 P CA -0.227 62.902 63.100 0.048 0.000 0.790 297 P CB 0.909 32.628 31.700 0.031 0.000 0.951 298 T N 0.993 115.572 114.554 0.042 0.000 2.699 298 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 298 T C 1.679 176.389 174.700 0.017 0.000 1.036 298 T CA 2.045 64.163 62.100 0.031 0.000 1.147 298 T CB -0.926 67.964 68.868 0.037 0.000 0.862 298 T HN 0.643 nan 8.240 nan 0.000 0.446 299 N N 1.294 120.005 118.700 0.018 0.000 2.348 299 N HA -0.189 4.550 4.740 -0.000 0.000 0.185 299 N C 1.601 177.118 175.510 0.012 0.000 1.019 299 N CA 1.280 54.339 53.050 0.015 0.000 0.880 299 N CB -0.218 38.279 38.487 0.015 0.000 0.965 299 N HN 0.489 nan 8.380 nan 0.000 0.437 300 E N 0.090 120.297 120.200 0.011 0.000 2.299 300 E HA 0.176 4.526 4.350 -0.000 0.000 0.193 300 E C 0.181 176.779 176.600 -0.003 0.000 0.998 300 E CA 0.011 56.415 56.400 0.007 0.000 0.851 300 E CB 0.202 29.908 29.700 0.010 0.000 0.795 300 E HN 0.413 nan 8.360 nan 0.000 0.492 301 I N 1.814 122.379 120.570 -0.009 0.000 2.363 301 I HA -0.008 4.162 4.170 -0.000 0.000 0.292 301 I C 1.271 177.356 176.117 -0.054 0.000 1.075 301 I CA -0.018 61.264 61.300 -0.031 0.000 1.333 301 I CB 1.236 39.217 38.000 -0.031 0.000 1.415 301 I HN 0.067 nan 8.210 nan 0.000 0.502 302 T N 1.754 116.260 114.554 -0.080 0.000 3.065 302 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 302 T C 0.406 174.929 174.700 -0.295 0.000 1.099 302 T CA 0.016 62.054 62.100 -0.104 0.000 1.063 302 T CB 0.092 68.930 68.868 -0.051 0.000 0.948 302 T HN 0.725 nan 8.240 nan 0.000 0.506 303 Q N -0.397 119.184 119.800 -0.366 0.000 2.522 303 Q HA 0.570 4.909 4.340 -0.000 0.000 0.285 303 Q C -3.468 172.389 176.000 -0.237 0.000 0.982 303 Q CA -2.412 53.030 55.803 -0.602 0.000 0.805 303 Q CB 0.745 28.736 28.738 -1.245 0.000 1.457 303 Q HN -0.119 nan 8.270 nan 0.000 0.394 304 P HA 0.034 nan 4.420 nan 0.000 0.264 304 P C -0.905 176.415 177.300 0.034 0.000 1.183 304 P CA 0.430 63.534 63.100 0.006 0.000 0.763 304 P CB 0.328 32.112 31.700 0.140 0.000 0.807 305 I N 2.850 123.431 120.570 0.019 0.000 2.342 305 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 305 I C 1.386 177.536 176.117 0.056 0.000 1.010 305 I CA 0.402 61.721 61.300 0.031 0.000 1.308 305 I CB 1.062 39.067 38.000 0.009 0.000 1.400 305 I HN 0.419 nan 8.210 nan 0.000 0.488 306 T N -0.166 114.432 114.554 0.073 0.000 3.043 306 T HA 0.265 4.615 4.350 -0.000 0.000 0.272 306 T C 0.280 175.001 174.700 0.034 0.000 0.990 306 T CA -0.010 62.139 62.100 0.083 0.000 0.897 306 T CB 0.091 69.063 68.868 0.173 0.000 1.111 306 T HN 0.587 nan 8.240 nan 0.000 0.529 307 S N 0.293 116.002 115.700 0.014 0.000 2.588 307 S HA 0.724 5.194 4.470 -0.000 0.000 0.269 307 S C -1.642 172.961 174.600 0.006 0.000 1.157 307 S CA -1.029 57.169 58.200 -0.004 0.000 0.824 307 S CB 1.839 65.042 63.200 0.006 0.000 1.126 307 S HN 0.457 nan 8.310 nan 0.000 0.464 308 I N 1.401 121.983 120.570 0.020 0.000 2.582 308 I HA 0.699 4.869 4.170 -0.000 0.000 0.292 308 I C -1.535 174.608 176.117 0.044 0.000 1.066 308 I CA -0.661 60.669 61.300 0.051 0.000 1.053 308 I CB 1.826 39.866 38.000 0.067 0.000 1.241 308 I HN 1.032 nan 8.210 nan 0.000 0.421 309 K N 6.496 126.875 120.400 -0.035 0.000 2.502 309 K HA 0.557 4.877 4.320 -0.000 0.000 0.257 309 K C -2.240 174.188 176.600 -0.288 0.000 0.938 309 K CA -0.917 55.215 56.287 -0.258 0.000 0.819 309 K CB 2.562 34.983 32.500 -0.133 0.000 1.333 309 K HN 0.480 nan 8.250 nan 0.000 0.434 310 L N 1.262 122.094 121.223 -0.651 0.000 2.313 310 L HA 0.448 4.788 4.340 -0.000 0.000 0.283 310 L C -0.951 175.843 176.870 -0.126 0.000 1.013 310 L CA -0.016 54.622 54.840 -0.336 0.000 0.816 310 L CB 1.666 43.486 42.059 -0.399 0.000 1.236 310 L HN 0.823 nan 8.230 nan 0.000 0.419 311 E N 4.829 125.059 120.200 0.051 0.000 2.179 311 E HA 0.555 4.905 4.350 -0.000 0.000 0.275 311 E C -1.261 175.382 176.600 0.072 0.000 0.945 311 E CA -0.566 55.895 56.400 0.101 0.000 0.792 311 E CB 1.786 31.638 29.700 0.252 0.000 1.125 311 E HN 0.578 nan 8.360 nan 0.000 0.397 312 I N 3.255 123.873 120.570 0.079 0.000 2.466 312 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 312 I C -0.916 175.221 176.117 0.033 0.000 1.026 312 I CA -0.943 60.387 61.300 0.050 0.000 1.078 312 I CB 1.997 40.062 38.000 0.107 0.000 1.249 312 I HN 0.195 nan 8.210 nan 0.000 0.429 313 V N 4.746 124.653 119.914 -0.012 0.000 2.357 313 V HA 0.371 4.491 4.120 -0.000 0.000 0.284 313 V C 0.092 176.172 176.094 -0.025 0.000 1.018 313 V CA -0.456 61.842 62.300 -0.002 0.000 0.841 313 V CB 1.508 33.331 31.823 -0.000 0.000 0.991 313 V HN 0.699 nan 8.190 nan 0.000 0.437 314 T N 4.205 118.767 114.554 0.013 0.000 2.799 314 T HA 0.594 4.944 4.350 -0.000 0.000 0.286 314 T C 0.090 174.853 174.700 0.106 0.000 0.973 314 T CA -0.344 61.796 62.100 0.067 0.000 1.035 314 T CB 1.225 70.160 68.868 0.112 0.000 0.932 314 T HN 0.906 nan 8.240 nan 0.000 0.469 315 S N 2.534 118.291 115.700 0.096 0.000 2.569 315 S HA 0.680 5.150 4.470 -0.000 0.000 0.280 315 S C -1.144 173.553 174.600 0.163 0.000 1.111 315 S CA -1.088 57.178 58.200 0.109 0.000 0.887 315 S CB 2.080 65.315 63.200 0.059 0.000 1.095 315 S HN 0.593 nan 8.310 nan 0.000 0.476 316 K N 1.782 122.335 120.400 0.255 0.000 2.575 316 K HA 0.346 4.666 4.320 -0.000 0.000 0.236 316 K C 1.207 177.967 176.600 0.267 0.000 0.976 316 K CA -0.176 56.265 56.287 0.258 0.000 0.985 316 K CB 0.896 33.574 32.500 0.297 0.000 1.198 316 K HN 0.826 nan 8.250 nan 0.000 0.464 317 S N 2.033 117.826 115.700 0.155 0.000 2.380 317 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 317 S C 1.373 176.023 174.600 0.084 0.000 1.050 317 S CA 1.422 59.693 58.200 0.119 0.000 1.100 317 S CB -0.461 62.779 63.200 0.067 0.000 0.984 317 S HN 0.632 nan 8.310 nan 0.000 0.434 318 G N 1.536 110.352 108.800 0.027 0.000 3.782 318 G HA2 0.560 4.519 3.960 -0.000 0.000 0.288 318 G HA3 0.560 4.519 3.960 -0.000 0.000 0.288 318 G C 0.147 174.965 174.900 -0.137 0.000 1.300 318 G CA -0.116 44.965 45.100 -0.032 0.000 1.261 318 G HN 0.762 nan 8.290 nan 0.000 0.591 319 G N -0.884 107.735 108.800 -0.301 0.000 2.471 319 G HA2 0.609 4.569 3.960 -0.000 0.000 0.332 319 G HA3 0.609 4.569 3.960 -0.000 0.000 0.332 319 G C -0.870 173.394 174.900 -1.061 0.000 1.176 319 G CA -0.551 44.135 45.100 -0.690 0.000 0.949 319 G HN 0.398 nan 8.290 nan 0.000 0.488 320 Q N -0.473 118.854 119.800 -0.788 0.000 2.495 320 Q HA 0.612 4.952 4.340 -0.000 0.000 0.287 320 Q C 0.030 175.906 176.000 -0.208 0.000 1.078 320 Q CA -0.897 54.638 55.803 -0.446 0.000 0.793 320 Q CB 2.110 30.741 28.738 -0.178 0.000 1.459 320 Q HN 0.960 nan 8.270 nan 0.000 0.422 321 A N 0.495 123.342 122.820 0.044 0.000 2.616 321 A HA 0.298 4.618 4.320 -0.000 0.000 0.234 321 A C 1.085 178.696 177.584 0.046 0.000 1.024 321 A CA 1.546 53.654 52.037 0.119 0.000 0.758 321 A CB -1.064 17.986 19.000 0.084 0.000 0.939 321 A HN 1.400 nan 8.150 nan 0.000 0.510 322 G N 1.861 110.702 108.800 0.068 0.000 2.475 322 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.209 322 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.209 322 G C 0.082 175.000 174.900 0.029 0.000 1.127 322 G CA 0.250 45.368 45.100 0.030 0.000 0.681 322 G HN 0.898 nan 8.290 nan 0.000 0.517 323 D N 2.018 122.429 120.400 0.018 0.000 2.506 323 D HA 0.351 4.991 4.640 -0.000 0.000 0.234 323 D C 0.475 176.818 176.300 0.070 0.000 1.143 323 D CA 0.743 54.757 54.000 0.024 0.000 0.871 323 D CB 0.622 41.405 40.800 -0.029 0.000 1.190 323 D HN 0.242 nan 8.370 nan 0.000 0.459 324 Q N 1.768 121.593 119.800 0.040 0.000 2.307 324 Q HA 0.376 4.715 4.340 -0.000 0.000 0.262 324 Q C -0.237 175.784 176.000 0.035 0.000 0.961 324 Q CA -0.398 55.413 55.803 0.013 0.000 0.882 324 Q CB 1.652 30.374 28.738 -0.026 0.000 1.264 324 Q HN 0.390 nan 8.270 nan 0.000 0.446 325 M N 1.252 120.872 119.600 0.032 0.000 2.268 325 M HA 0.541 5.021 4.480 -0.000 0.000 0.344 325 M C -0.288 176.013 176.300 0.001 0.000 1.106 325 M CA -0.392 54.976 55.300 0.113 0.000 1.010 325 M CB 1.778 34.528 32.600 0.251 0.000 1.649 325 M HN 0.322 nan 8.290 nan 0.000 0.443 326 S N 2.515 118.279 115.700 0.105 0.000 2.550 326 S HA 0.795 5.265 4.470 -0.000 0.000 0.270 326 S C -1.885 172.881 174.600 0.277 0.000 1.145 326 S CA -0.928 57.286 58.200 0.024 0.000 0.852 326 S CB 2.051 65.209 63.200 -0.071 0.000 1.119 326 S HN 0.876 nan 8.310 nan 0.000 0.465 327 W N -0.483 121.016 121.300 0.331 0.000 3.059 327 W HA 0.724 5.384 4.660 -0.000 0.000 0.329 327 W C -1.527 175.142 176.519 0.250 0.000 1.246 327 W CA -0.726 56.790 57.345 0.285 0.000 1.190 327 W CB 0.907 30.565 29.460 0.330 0.000 1.423 327 W HN 0.526 nan 8.180 nan 0.000 0.571 328 S N 0.525 116.658 115.700 0.721 0.000 2.536 328 S HA 0.875 5.344 4.470 -0.000 0.000 0.298 328 S C -0.721 174.137 174.600 0.431 0.000 1.083 328 S CA -0.328 58.174 58.200 0.503 0.000 0.995 328 S CB 1.747 65.143 63.200 0.326 0.000 1.058 328 S HN 0.756 nan 8.310 nan 0.000 0.488 329 A N 1.766 124.749 122.820 0.272 0.000 2.539 329 A HA 0.889 5.209 4.320 -0.000 0.000 0.296 329 A C -0.868 176.660 177.584 -0.094 0.000 1.073 329 A CA -0.579 51.341 52.037 -0.194 0.000 0.700 329 A CB 1.843 20.497 19.000 -0.577 0.000 1.296 329 A HN 0.612 nan 8.150 nan 0.000 0.405 330 S N -1.094 114.468 115.700 -0.229 0.000 2.541 330 S HA 0.923 5.393 4.470 -0.000 0.000 0.271 330 S C -0.331 174.182 174.600 -0.146 0.000 1.133 330 S CA 0.089 58.222 58.200 -0.113 0.000 0.876 330 S CB 2.095 65.256 63.200 -0.064 0.000 1.105 330 S HN 2.265 nan 8.310 nan 0.000 0.470 331 G N 0.959 109.705 108.800 -0.089 0.000 2.358 331 G HA2 0.481 4.441 3.960 -0.000 0.000 0.301 331 G HA3 0.481 4.441 3.960 -0.000 0.000 0.301 331 G C -1.652 173.196 174.900 -0.087 0.000 1.539 331 G CA -0.503 44.551 45.100 -0.077 0.000 0.893 331 G HN 0.671 nan 8.290 nan 0.000 0.636 332 S N -0.878 114.766 115.700 -0.093 0.000 2.570 332 S HA 0.864 5.334 4.470 -0.000 0.000 0.286 332 S C -0.446 174.048 174.600 -0.177 0.000 1.099 332 S CA -0.680 57.438 58.200 -0.136 0.000 0.913 332 S CB 1.517 64.658 63.200 -0.098 0.000 1.085 332 S HN 0.646 nan 8.310 nan 0.000 0.480 333 L N 1.182 122.262 121.223 -0.237 0.000 2.333 333 L HA 0.931 5.271 4.340 -0.000 0.000 0.263 333 L C -0.543 176.232 176.870 -0.159 0.000 1.014 333 L CA -1.133 53.542 54.840 -0.275 0.000 0.820 333 L CB 1.858 43.663 42.059 -0.423 0.000 1.352 333 L HN 0.712 nan 8.230 nan 0.000 0.421 334 A N 1.372 124.128 122.820 -0.105 0.000 2.335 334 A HA 0.719 5.039 4.320 -0.000 0.000 0.304 334 A C -0.936 176.638 177.584 -0.017 0.000 1.118 334 A CA -0.464 51.548 52.037 -0.043 0.000 0.757 334 A CB 1.429 20.415 19.000 -0.023 0.000 1.188 334 A HN 0.349 nan 8.150 nan 0.000 0.460 335 V N 2.707 122.640 119.914 0.031 0.000 2.370 335 V HA 0.456 4.576 4.120 -0.000 0.000 0.279 335 V C 0.148 176.285 176.094 0.072 0.000 1.029 335 V CA -0.146 62.189 62.300 0.059 0.000 0.870 335 V CB 1.340 33.220 31.823 0.094 0.000 0.984 335 V HN 0.868 nan 8.190 nan 0.000 0.451 336 T N 6.565 121.107 114.554 -0.021 0.000 2.772 336 T HA 0.509 4.859 4.350 -0.000 0.000 0.288 336 T C -0.189 174.372 174.700 -0.231 0.000 0.994 336 T CA -0.288 61.757 62.100 -0.091 0.000 0.951 336 T CB 0.642 69.457 68.868 -0.088 0.000 0.933 336 T HN 0.309 nan 8.240 nan 0.000 0.447 337 I N 4.540 125.037 120.570 -0.121 0.000 2.291 337 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 337 I C 0.625 176.688 176.117 -0.090 0.000 1.050 337 I CA -0.906 60.324 61.300 -0.116 0.000 1.245 337 I CB -0.114 37.906 38.000 0.034 0.000 1.405 337 I HN 0.572 nan 8.210 nan 0.000 0.478 338 H N 5.328 124.424 119.070 0.044 0.000 3.107 338 H HA 0.074 4.630 4.556 -0.000 0.000 0.301 338 H C 1.505 176.851 175.328 0.030 0.000 0.981 338 H CA 0.942 57.008 56.048 0.031 0.000 1.443 338 H CB 0.318 30.096 29.762 0.025 0.000 1.479 338 H HN 0.942 nan 8.280 nan 0.000 0.564 339 G N 2.733 111.620 108.800 0.145 0.000 2.175 339 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.265 339 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.265 339 G C 1.603 176.563 174.900 0.101 0.000 0.979 339 G CA 0.852 46.010 45.100 0.096 0.000 0.663 339 G HN 0.876 nan 8.290 nan 0.000 0.533 340 G N 0.433 109.280 108.800 0.078 0.000 2.469 340 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.220 340 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.220 340 G C 1.319 176.253 174.900 0.056 0.000 1.136 340 G CA 1.365 46.502 45.100 0.062 0.000 0.759 340 G HN 0.537 nan 8.290 nan 0.000 0.562 341 N N -0.707 118.017 118.700 0.040 0.000 2.383 341 N HA 0.052 4.792 4.740 -0.000 0.000 0.192 341 N C -0.263 175.275 175.510 0.047 0.000 1.141 341 N CA -0.376 52.683 53.050 0.016 0.000 0.851 341 N CB -0.080 38.391 38.487 -0.026 0.000 0.976 341 N HN 0.439 nan 8.380 nan 0.000 0.465 342 Y N 2.863 123.149 120.300 -0.024 0.000 2.569 342 Y HA 0.145 4.695 4.550 -0.000 0.000 0.332 342 Y C -2.085 173.794 175.900 -0.035 0.000 1.120 342 Y CA -2.055 56.026 58.100 -0.031 0.000 1.416 342 Y CB 0.477 38.913 38.460 -0.040 0.000 1.210 342 Y HN -0.003 nan 8.280 nan 0.000 0.528 343 P HA 0.053 nan 4.420 nan 0.000 0.258 343 P C 0.549 177.775 177.300 -0.122 0.000 1.172 343 P CA 2.066 65.001 63.100 -0.274 0.000 0.762 343 P CB 0.310 31.784 31.700 -0.378 0.000 0.764 344 G N 3.164 111.978 108.800 0.023 0.000 2.254 344 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.225 344 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.225 344 G C 1.193 176.224 174.900 0.218 0.000 1.003 344 G CA 0.344 45.520 45.100 0.127 0.000 0.622 344 G HN 0.636 nan 8.290 nan 0.000 0.507 345 A N -0.284 122.657 122.820 0.203 0.000 1.969 345 A HA 0.536 4.856 4.320 -0.000 0.000 0.218 345 A C 2.259 179.975 177.584 0.221 0.000 1.169 345 A CA 2.009 54.162 52.037 0.195 0.000 0.635 345 A CB -0.184 18.902 19.000 0.144 0.000 0.810 345 A HN 0.892 nan 8.150 nan 0.000 0.445 346 L N -2.518 118.804 121.223 0.165 0.000 2.885 346 L HA 0.209 4.549 4.340 -0.000 0.000 0.251 346 L C 0.874 177.858 176.870 0.190 0.000 1.071 346 L CA -0.066 54.858 54.840 0.140 0.000 0.956 346 L CB 0.336 42.457 42.059 0.104 0.000 1.483 346 L HN 0.436 nan 8.230 nan 0.000 0.525 347 R N 1.265 121.843 120.500 0.130 0.000 2.803 347 R HA 0.552 4.892 4.340 -0.000 0.000 0.276 347 R C -3.006 173.336 176.300 0.071 0.000 0.978 347 R CA -1.644 54.503 56.100 0.078 0.000 0.939 347 R CB 2.159 32.443 30.300 -0.027 0.000 1.179 347 R HN -0.267 nan 8.270 nan 0.000 0.472 348 P HA 0.271 nan 4.420 nan 0.000 0.302 348 P C -0.828 176.553 177.300 0.134 0.000 1.307 348 P CA -0.573 62.540 63.100 0.022 0.000 0.754 348 P CB 1.013 32.700 31.700 -0.022 0.000 1.298 349 V N -0.907 119.091 119.914 0.140 0.000 2.841 349 V HA 0.367 4.487 4.120 -0.000 0.000 0.310 349 V C -0.231 175.928 176.094 0.109 0.000 1.090 349 V CA -0.321 62.067 62.300 0.147 0.000 0.930 349 V CB 2.217 34.152 31.823 0.187 0.000 1.014 349 V HN 0.517 nan 8.190 nan 0.000 0.425 350 T N 5.812 120.404 114.554 0.064 0.000 2.786 350 T HA 0.632 4.981 4.350 -0.000 0.000 0.283 350 T C -0.549 174.192 174.700 0.069 0.000 0.992 350 T CA -0.263 61.885 62.100 0.079 0.000 0.954 350 T CB 0.687 69.608 68.868 0.088 0.000 0.934 350 T HN 0.342 nan 8.240 nan 0.000 0.440 351 L N 3.391 124.628 121.223 0.024 0.000 2.309 351 L HA 0.700 5.040 4.340 -0.000 0.000 0.282 351 L C -0.544 176.348 176.870 0.036 0.000 1.036 351 L CA -1.115 53.709 54.840 -0.026 0.000 0.806 351 L CB 1.684 43.684 42.059 -0.098 0.000 1.220 351 L HN 0.305 nan 8.230 nan 0.000 0.429 352 V N 2.623 122.577 119.914 0.066 0.000 2.349 352 V HA 0.574 4.694 4.120 -0.000 0.000 0.284 352 V C 0.172 176.344 176.094 0.130 0.000 1.014 352 V CA -0.473 61.906 62.300 0.132 0.000 0.826 352 V CB 1.414 33.390 31.823 0.254 0.000 1.009 352 V HN 0.861 nan 8.190 nan 0.000 0.431 353 A N 5.355 128.236 122.820 0.101 0.000 2.312 353 A HA 0.960 5.280 4.320 -0.000 0.000 0.328 353 A C -0.978 176.810 177.584 0.339 0.000 1.158 353 A CA -0.468 51.649 52.037 0.133 0.000 0.821 353 A CB 1.020 20.076 19.000 0.093 0.000 1.170 353 A HN 1.059 nan 8.150 nan 0.000 0.490 354 Y N -0.457 120.041 120.300 0.331 0.000 2.512 354 Y HA 0.762 5.312 4.550 -0.000 0.000 0.348 354 Y C -0.510 175.474 175.900 0.140 0.000 0.990 354 Y CA -1.026 57.239 58.100 0.275 0.000 1.033 354 Y CB 1.306 39.868 38.460 0.170 0.000 1.259 354 Y HN 0.869 nan 8.280 nan 0.000 0.461 355 E N 1.018 121.279 120.200 0.102 0.000 2.413 355 E HA 0.638 4.988 4.350 -0.000 0.000 0.277 355 E C -0.810 175.771 176.600 -0.033 0.000 0.958 355 E CA -1.480 54.863 56.400 -0.094 0.000 0.779 355 E CB 1.915 31.331 29.700 -0.473 0.000 1.278 355 E HN 0.712 nan 8.360 nan 0.000 0.456 356 R N -0.464 120.022 120.500 -0.023 0.000 3.770 356 R HA -0.120 4.219 4.340 -0.000 0.000 0.305 356 R C -0.780 175.543 176.300 0.038 0.000 1.184 356 R CA 0.799 56.895 56.100 -0.007 0.000 0.823 356 R CB -2.070 28.205 30.300 -0.042 0.000 1.285 356 R HN 0.386 nan 8.270 nan 0.000 0.499 357 V N 1.019 120.988 119.914 0.092 0.000 2.498 357 V HA 0.500 4.619 4.120 -0.000 0.000 0.279 357 V C 1.196 177.324 176.094 0.056 0.000 1.048 357 V CA -0.176 62.169 62.300 0.075 0.000 0.967 357 V CB 1.554 33.430 31.823 0.089 0.000 0.988 357 V HN 0.361 nan 8.190 nan 0.000 0.473 358 A N 3.998 126.836 122.820 0.029 0.000 2.567 358 A HA 0.251 4.571 4.320 -0.000 0.000 0.240 358 A C 0.814 178.417 177.584 0.031 0.000 1.053 358 A CA 0.220 52.271 52.037 0.024 0.000 0.755 358 A CB -0.361 18.647 19.000 0.013 0.000 0.978 358 A HN 0.855 nan 8.150 nan 0.000 0.507 359 T N 1.860 116.434 114.554 0.034 0.000 2.946 359 T HA 0.399 4.749 4.350 -0.000 0.000 0.311 359 T C 1.613 176.330 174.700 0.028 0.000 1.063 359 T CA 1.595 63.718 62.100 0.040 0.000 1.139 359 T CB 0.470 69.357 68.868 0.032 0.000 0.994 359 T HN 2.081 nan 8.240 nan 0.000 0.547 360 G N 2.613 111.432 108.800 0.032 0.000 2.179 360 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.260 360 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.260 360 G C 0.479 175.384 174.900 0.009 0.000 0.977 360 G CA 0.234 45.346 45.100 0.020 0.000 0.641 360 G HN 0.787 nan 8.290 nan 0.000 0.533 361 S N -1.035 114.667 115.700 0.002 0.000 2.608 361 S HA 0.541 5.011 4.470 -0.000 0.000 0.261 361 S C 0.480 175.058 174.600 -0.036 0.000 1.314 361 S CA -0.028 58.161 58.200 -0.019 0.000 0.992 361 S CB 1.943 65.125 63.200 -0.030 0.000 0.935 361 S HN 0.715 nan 8.310 nan 0.000 0.564 362 V N 2.233 122.117 119.914 -0.049 0.000 2.347 362 V HA 0.312 4.431 4.120 -0.000 0.000 0.280 362 V C -0.373 175.658 176.094 -0.104 0.000 1.021 362 V CA -0.603 61.660 62.300 -0.062 0.000 0.847 362 V CB 1.413 33.213 31.823 -0.038 0.000 0.990 362 V HN 0.604 nan 8.190 nan 0.000 0.444 363 V N 4.608 124.425 119.914 -0.163 0.000 2.348 363 V HA 0.285 4.405 4.120 -0.000 0.000 0.270 363 V C 0.566 176.585 176.094 -0.126 0.000 1.037 363 V CA -0.071 62.102 62.300 -0.212 0.000 0.872 363 V CB 1.568 33.139 31.823 -0.420 0.000 1.002 363 V HN 0.941 nan 8.190 nan 0.000 0.464 364 T N 5.382 119.895 114.554 -0.068 0.000 2.771 364 T HA 0.495 4.845 4.350 -0.000 0.000 0.291 364 T C -0.166 174.547 174.700 0.020 0.000 0.954 364 T CA -0.200 61.890 62.100 -0.017 0.000 1.045 364 T CB 1.286 70.147 68.868 -0.011 0.000 0.917 364 T HN 0.350 nan 8.240 nan 0.000 0.484 365 V N 2.661 122.619 119.914 0.073 0.000 2.495 365 V HA 0.833 4.953 4.120 -0.000 0.000 0.298 365 V C -0.094 176.076 176.094 0.127 0.000 1.031 365 V CA -0.855 61.526 62.300 0.136 0.000 0.871 365 V CB 1.392 33.351 31.823 0.226 0.000 0.988 365 V HN 1.059 nan 8.190 nan 0.000 0.432 366 A N 3.384 126.254 122.820 0.083 0.000 2.408 366 A HA 0.981 5.300 4.320 -0.000 0.000 0.295 366 A C -0.153 177.443 177.584 0.021 0.000 1.040 366 A CA 0.117 52.183 52.037 0.049 0.000 0.707 366 A CB 1.824 20.835 19.000 0.018 0.000 1.235 366 A HN 1.292 nan 8.150 nan 0.000 0.418 367 G N -0.443 108.375 108.800 0.031 0.000 2.663 367 G HA2 0.660 4.619 3.960 -0.000 0.000 0.299 367 G HA3 0.660 4.619 3.960 -0.000 0.000 0.299 367 G C -1.847 173.062 174.900 0.014 0.000 1.372 367 G CA -0.417 44.680 45.100 -0.005 0.000 0.781 367 G HN 1.275 nan 8.290 nan 0.000 0.491 368 V N -0.040 119.867 119.914 -0.012 0.000 2.760 368 V HA 0.707 4.827 4.120 -0.000 0.000 0.309 368 V C -0.420 175.655 176.094 -0.031 0.000 1.077 368 V CA -0.729 61.572 62.300 0.002 0.000 0.910 368 V CB 2.015 33.831 31.823 -0.012 0.000 1.008 368 V HN 0.772 nan 8.190 nan 0.000 0.424 369 S N 3.778 119.471 115.700 -0.011 0.000 2.473 369 S HA 0.569 5.039 4.470 -0.000 0.000 0.307 369 S C -0.656 173.754 174.600 -0.316 0.000 1.094 369 S CA -0.778 57.311 58.200 -0.186 0.000 1.070 369 S CB 1.141 64.298 63.200 -0.072 0.000 1.019 369 S HN 0.740 nan 8.310 nan 0.000 0.480 370 N N 2.008 120.411 118.700 -0.494 0.000 2.372 370 N HA 0.622 5.362 4.740 -0.000 0.000 0.291 370 N C -1.417 173.768 175.510 -0.542 0.000 1.024 370 N CA -0.182 52.673 53.050 -0.326 0.000 0.873 370 N CB 1.262 39.668 38.487 -0.134 0.000 1.206 370 N HN 0.372 nan 8.380 nan 0.000 0.486 371 F N -0.154 119.808 119.950 0.021 0.000 2.603 371 F HA 0.392 4.919 4.527 -0.000 0.000 0.317 371 F C 0.491 176.299 175.800 0.013 0.000 1.066 371 F CA -0.906 57.092 58.000 -0.004 0.000 0.941 371 F CB 1.587 40.556 39.000 -0.052 0.000 1.291 371 F HN 0.146 nan 8.300 nan 0.000 0.472 372 E N 2.104 122.423 120.200 0.199 0.000 2.156 372 E HA 0.679 5.029 4.350 -0.000 0.000 0.279 372 E C -1.247 175.502 176.600 0.248 0.000 0.965 372 E CA -0.493 56.012 56.400 0.175 0.000 0.789 372 E CB 1.871 31.483 29.700 -0.146 0.000 1.098 372 E HN 0.422 nan 8.360 nan 0.000 0.397 373 L N 3.266 124.649 121.223 0.268 0.000 2.376 373 L HA 0.591 4.931 4.340 -0.000 0.000 0.258 373 L C -0.728 176.307 176.870 0.276 0.000 1.013 373 L CA -0.879 54.053 54.840 0.154 0.000 0.822 373 L CB 1.984 43.789 42.059 -0.424 0.000 1.388 373 L HN 0.434 nan 8.230 nan 0.000 0.413 374 I N 3.280 124.041 120.570 0.318 0.000 2.418 374 I HA 0.345 4.514 4.170 -0.000 0.000 0.287 374 I C -2.239 174.114 176.117 0.393 0.000 1.008 374 I CA -1.902 59.566 61.300 0.280 0.000 1.104 374 I CB 2.196 40.310 38.000 0.189 0.000 1.264 374 I HN 0.268 nan 8.210 nan 0.000 0.438 375 P HA 0.041 nan 4.420 nan 0.000 0.272 375 P C -0.934 176.384 177.300 0.031 0.000 1.223 375 P CA -0.316 62.857 63.100 0.122 0.000 0.784 375 P CB 0.554 32.264 31.700 0.017 0.000 0.923 376 N N 2.518 121.169 118.700 -0.082 0.000 2.317 376 N HA 0.075 4.814 4.740 -0.000 0.000 0.245 376 N C -1.948 173.535 175.510 -0.046 0.000 1.294 376 N CA -1.690 51.327 53.050 -0.055 0.000 0.924 376 N CB -1.605 36.827 38.487 -0.091 0.000 1.186 376 N HN 0.166 nan 8.380 nan 0.000 0.495 377 P HA -0.142 nan 4.420 nan 0.000 0.216 377 P C 1.028 178.306 177.300 -0.036 0.000 1.153 377 P CA 1.538 64.623 63.100 -0.025 0.000 0.858 377 P CB 0.184 31.873 31.700 -0.018 0.000 0.789 378 E N -0.800 119.370 120.200 -0.050 0.000 2.047 378 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 378 E C 1.778 178.340 176.600 -0.062 0.000 0.987 378 E CA 0.812 57.181 56.400 -0.051 0.000 0.799 378 E CB -1.149 28.518 29.700 -0.055 0.000 0.752 378 E HN -0.005 nan 8.360 nan 0.000 0.449 379 L N 0.067 121.232 121.223 -0.096 0.000 2.201 379 L HA 0.070 4.409 4.340 -0.000 0.000 0.212 379 L C 1.982 178.811 176.870 -0.068 0.000 1.105 379 L CA 1.624 56.398 54.840 -0.111 0.000 0.775 379 L CB -0.775 41.152 42.059 -0.220 0.000 0.913 379 L HN 0.169 nan 8.230 nan 0.000 0.440 380 A N -0.890 121.899 122.820 -0.051 0.000 2.024 380 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 380 A C 2.262 179.834 177.584 -0.020 0.000 1.164 380 A CA 1.650 53.673 52.037 -0.023 0.000 0.643 380 A CB -0.488 18.504 19.000 -0.013 0.000 0.806 380 A HN 0.479 nan 8.150 nan 0.000 0.451 381 K N -1.014 119.372 120.400 -0.025 0.000 2.283 381 K HA -0.084 4.236 4.320 -0.000 0.000 0.202 381 K C 0.638 177.228 176.600 -0.016 0.000 1.048 381 K CA 1.490 57.766 56.287 -0.019 0.000 0.948 381 K CB -0.120 32.368 32.500 -0.021 0.000 0.742 381 K HN 0.600 nan 8.250 nan 0.000 0.458 382 N N -0.800 117.889 118.700 -0.018 0.000 2.143 382 N HA 0.160 4.900 4.740 -0.000 0.000 0.222 382 N C -1.065 174.442 175.510 -0.004 0.000 1.264 382 N CA -0.123 52.920 53.050 -0.012 0.000 0.897 382 N CB 1.034 39.513 38.487 -0.014 0.000 1.092 382 N HN -0.115 nan 8.380 nan 0.000 0.516 383 L N 2.279 123.501 121.223 -0.002 0.000 2.294 383 L HA 0.470 4.810 4.340 -0.000 0.000 0.283 383 L C -0.049 176.829 176.870 0.013 0.000 1.015 383 L CA -1.053 53.798 54.840 0.018 0.000 0.831 383 L CB 1.318 43.402 42.059 0.041 0.000 1.217 383 L HN -0.079 nan 8.230 nan 0.000 0.420 384 V N 1.091 121.009 119.914 0.006 0.000 2.715 384 V HA 0.552 4.672 4.120 -0.000 0.000 0.299 384 V C 0.453 176.533 176.094 -0.025 0.000 1.054 384 V CA -0.187 62.106 62.300 -0.012 0.000 1.077 384 V CB 1.047 32.861 31.823 -0.015 0.000 0.972 384 V HN 0.861 nan 8.190 nan 0.000 0.484 385 T N 1.448 115.966 114.554 -0.061 0.000 2.887 385 T HA 0.835 5.185 4.350 -0.000 0.000 0.288 385 T C -0.657 173.932 174.700 -0.184 0.000 1.021 385 T CA -0.633 61.402 62.100 -0.108 0.000 1.000 385 T CB 2.266 71.076 68.868 -0.096 0.000 1.034 385 T HN 0.908 nan 8.240 nan 0.000 0.467 386 E N -0.218 119.821 120.200 -0.269 0.000 2.456 386 E HA 0.404 4.753 4.350 -0.000 0.000 0.276 386 E C -0.414 175.969 176.600 -0.362 0.000 0.981 386 E CA -0.855 55.375 56.400 -0.284 0.000 0.814 386 E CB 1.619 31.234 29.700 -0.142 0.000 1.382 386 E HN 0.711 nan 8.360 nan 0.000 0.459 387 Y N 0.644 120.908 120.300 -0.060 0.000 2.395 387 Y HA 0.187 4.737 4.550 -0.000 0.000 0.293 387 Y C 0.999 176.930 175.900 0.052 0.000 1.123 387 Y CA 1.048 59.160 58.100 0.019 0.000 1.227 387 Y CB 0.620 39.100 38.460 0.033 0.000 1.012 387 Y HN 0.654 nan 8.280 nan 0.000 0.552 388 G N 1.027 109.903 108.800 0.128 0.000 3.039 388 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.686 388 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.686 388 G C -0.691 174.315 174.900 0.177 0.000 1.066 388 G CA -0.771 44.410 45.100 0.137 0.000 0.774 388 G HN 0.285 nan 8.290 nan 0.000 0.591 389 R N 0.212 120.797 120.500 0.141 0.000 2.489 389 R HA 0.071 4.411 4.340 -0.000 0.000 0.287 389 R C 0.539 176.954 176.300 0.193 0.000 0.902 389 R CA 0.267 56.451 56.100 0.140 0.000 1.136 389 R CB -0.061 30.295 30.300 0.094 0.000 0.872 389 R HN 0.882 nan 8.270 nan 0.000 0.421 390 F N 4.451 124.423 119.950 0.036 0.000 2.438 390 F HA 0.234 4.761 4.527 -0.000 0.000 0.356 390 F C -0.446 175.364 175.800 0.017 0.000 1.099 390 F CA -1.047 56.965 58.000 0.020 0.000 1.185 390 F CB 0.943 39.948 39.000 0.009 0.000 1.115 390 F HN 0.485 nan 8.300 nan 0.000 0.526 391 D N 8.644 128.774 120.400 -0.450 0.000 2.364 391 D HA 0.308 4.948 4.640 -0.000 0.000 0.251 391 D C -1.920 174.057 176.300 -0.539 0.000 1.282 391 D CA -1.954 51.760 54.000 -0.477 0.000 0.927 391 D CB 1.408 42.115 40.800 -0.154 0.000 1.267 391 D HN 0.222 nan 8.370 nan 0.000 0.531 392 P HA -0.120 nan 4.420 nan 0.000 0.219 392 P C 1.150 178.371 177.300 -0.131 0.000 1.158 392 P CA 1.486 64.315 63.100 -0.451 0.000 0.895 392 P CB 0.343 31.807 31.700 -0.393 0.000 0.792 393 G N -2.083 106.640 108.800 -0.128 0.000 3.126 393 G HA2 0.255 4.215 3.960 -0.000 0.000 0.224 393 G HA3 0.255 4.215 3.960 -0.000 0.000 0.224 393 G C 1.412 176.330 174.900 0.031 0.000 1.142 393 G CA 0.505 45.588 45.100 -0.029 0.000 0.759 393 G HN 0.342 nan 8.290 nan 0.000 0.550 394 A N 0.953 123.774 122.820 0.002 0.000 1.892 394 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 394 A C 2.201 179.853 177.584 0.114 0.000 1.188 394 A CA 2.190 54.277 52.037 0.084 0.000 0.631 394 A CB -0.279 18.746 19.000 0.042 0.000 0.822 394 A HN 0.400 nan 8.150 nan 0.000 0.447 395 M N 0.219 119.836 119.600 0.028 0.000 2.132 395 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 395 M C 1.437 177.792 176.300 0.091 0.000 1.065 395 M CA 1.816 57.125 55.300 0.015 0.000 1.122 395 M CB -0.771 31.812 32.600 -0.027 0.000 1.365 395 M HN 0.396 nan 8.290 nan 0.000 0.411 396 N N -0.938 117.823 118.700 0.102 0.000 2.166 396 N HA -0.181 4.558 4.740 -0.000 0.000 0.186 396 N C 1.639 177.242 175.510 0.155 0.000 1.019 396 N CA 1.351 54.468 53.050 0.112 0.000 0.856 396 N CB -0.685 37.861 38.487 0.099 0.000 0.993 396 N HN 0.495 nan 8.380 nan 0.000 0.426 397 Y N 1.719 122.055 120.300 0.060 0.000 2.242 397 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 397 Y C 2.218 178.190 175.900 0.121 0.000 1.137 397 Y CA 1.360 59.506 58.100 0.077 0.000 1.181 397 Y CB -0.563 37.938 38.460 0.070 0.000 0.989 397 Y HN 0.027 nan 8.280 nan 0.000 0.527 398 T N 0.050 114.713 114.554 0.181 0.000 2.708 398 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 398 T C 1.827 176.593 174.700 0.109 0.000 1.037 398 T CA 1.869 64.079 62.100 0.183 0.000 1.146 398 T CB -0.176 68.877 68.868 0.308 0.000 0.865 398 T HN 0.247 nan 8.240 nan 0.000 0.435 399 K N 0.498 120.959 120.400 0.103 0.000 2.097 399 K HA -0.025 4.295 4.320 -0.000 0.000 0.206 399 K C 2.186 178.799 176.600 0.021 0.000 1.049 399 K CA 0.860 57.191 56.287 0.073 0.000 0.933 399 K CB -0.337 32.206 32.500 0.071 0.000 0.717 399 K HN 0.140 nan 8.250 nan 0.000 0.442 400 L N 1.234 122.446 121.223 -0.017 0.000 2.027 400 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 400 L C 1.866 178.685 176.870 -0.086 0.000 1.074 400 L CA 1.567 56.375 54.840 -0.053 0.000 0.745 400 L CB -0.337 41.677 42.059 -0.075 0.000 0.898 400 L HN 0.080 nan 8.230 nan 0.000 0.433 401 I N -0.311 120.163 120.570 -0.160 0.000 2.163 401 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 401 I C 2.605 178.715 176.117 -0.012 0.000 1.085 401 I CA 1.593 62.827 61.300 -0.110 0.000 1.347 401 I CB -1.205 36.724 38.000 -0.120 0.000 1.044 401 I HN 0.326 nan 8.210 nan 0.000 0.408 402 L N 0.401 121.631 121.223 0.012 0.000 2.141 402 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 402 L C 2.720 179.593 176.870 0.004 0.000 1.094 402 L CA 1.518 56.371 54.840 0.022 0.000 0.763 402 L CB -0.553 41.531 42.059 0.041 0.000 0.908 402 L HN 0.319 nan 8.230 nan 0.000 0.437 403 S N -0.611 115.090 115.700 0.001 0.000 2.423 403 S HA -0.135 4.334 4.470 -0.000 0.000 0.231 403 S C 1.566 176.164 174.600 -0.003 0.000 1.014 403 S CA 0.882 59.080 58.200 -0.002 0.000 0.965 403 S CB -0.089 63.111 63.200 0.000 0.000 0.785 403 S HN 0.361 nan 8.310 nan 0.000 0.495 404 E N 0.958 121.158 120.200 -0.000 0.000 2.419 404 E HA 0.164 4.514 4.350 -0.000 0.000 0.190 404 E C 1.604 178.214 176.600 0.016 0.000 1.040 404 E CA -0.241 56.164 56.400 0.009 0.000 0.900 404 E CB -0.099 29.609 29.700 0.013 0.000 1.054 404 E HN 0.556 nan 8.360 nan 0.000 0.462 405 R N 1.182 121.685 120.500 0.005 0.000 2.113 405 R HA -0.235 4.104 4.340 -0.000 0.000 0.244 405 R C 1.238 177.527 176.300 -0.018 0.000 1.142 405 R CA 1.711 57.809 56.100 -0.004 0.000 0.953 405 R CB 0.264 30.549 30.300 -0.025 0.000 0.860 405 R HN -0.014 nan 8.270 nan 0.000 0.438 406 E N -0.294 119.893 120.200 -0.022 0.000 2.107 406 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 406 E C 1.973 178.567 176.600 -0.010 0.000 0.982 406 E CA 0.973 57.355 56.400 -0.030 0.000 0.809 406 E CB -0.173 29.510 29.700 -0.029 0.000 0.756 406 E HN 0.255 nan 8.360 nan 0.000 0.459 407 R N 0.187 120.692 120.500 0.009 0.000 2.115 407 R HA -0.023 4.317 4.340 -0.000 0.000 0.230 407 R C 1.597 177.929 176.300 0.053 0.000 1.111 407 R CA 0.888 57.003 56.100 0.025 0.000 0.976 407 R CB -0.066 30.250 30.300 0.028 0.000 0.870 407 R HN 0.226 nan 8.270 nan 0.000 0.445 408 L N -0.331 120.935 121.223 0.073 0.000 2.567 408 L HA 0.225 4.565 4.340 -0.000 0.000 0.225 408 L C 0.988 177.946 176.870 0.147 0.000 1.119 408 L CA 0.456 55.383 54.840 0.146 0.000 0.871 408 L CB 0.237 42.407 42.059 0.186 0.000 1.036 408 L HN 0.494 nan 8.230 nan 0.000 0.459 409 G N 1.662 110.486 108.800 0.040 0.000 2.246 409 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 409 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 409 G C 0.120 174.919 174.900 -0.168 0.000 1.055 409 G CA -0.121 44.950 45.100 -0.048 0.000 0.851 409 G HN 0.333 nan 8.290 nan 0.000 0.500 410 I N 0.657 121.150 120.570 -0.128 0.000 2.347 410 I HA 0.217 4.387 4.170 -0.000 0.000 0.294 410 I C 0.886 176.775 176.117 -0.380 0.000 1.090 410 I CA 0.046 61.232 61.300 -0.190 0.000 1.314 410 I CB 0.465 38.458 38.000 -0.012 0.000 1.423 410 I HN 0.090 nan 8.210 nan 0.000 0.503 411 K N 3.449 123.331 120.400 -0.864 0.000 2.106 411 K HA 0.401 4.721 4.320 -0.000 0.000 0.246 411 K C 1.034 177.327 176.600 -0.512 0.000 0.987 411 K CA -0.579 55.164 56.287 -0.906 0.000 0.904 411 K CB 1.286 32.829 32.500 -1.595 0.000 1.071 411 K HN 0.582 nan 8.250 nan 0.000 0.453 412 T N -3.328 111.022 114.554 -0.340 0.000 3.037 412 T HA 0.087 4.436 4.350 -0.000 0.000 0.252 412 T C 0.571 175.207 174.700 -0.107 0.000 1.073 412 T CA -0.169 61.848 62.100 -0.137 0.000 1.091 412 T CB -0.054 68.753 68.868 -0.101 0.000 0.935 412 T HN 0.351 nan 8.240 nan 0.000 0.488 413 V N -1.344 118.439 119.914 -0.219 0.000 2.588 413 V HA 0.856 4.976 4.120 -0.000 0.000 0.304 413 V C -1.777 174.236 176.094 -0.135 0.000 1.042 413 V CA -1.631 60.623 62.300 -0.078 0.000 0.877 413 V CB 0.999 32.788 31.823 -0.057 0.000 0.996 413 V HN 0.385 nan 8.190 nan 0.000 0.425 414 W N 2.723 123.973 121.300 -0.083 0.000 3.031 414 W HA 0.755 5.415 4.660 -0.001 0.000 0.337 414 W C -2.993 173.527 176.519 0.002 0.000 1.187 414 W CA -2.522 54.807 57.345 -0.027 0.000 1.166 414 W CB 1.412 30.884 29.460 0.020 0.000 1.437 414 W HN 0.305 nan 8.180 nan 0.000 0.551 415 P HA 0.178 nan 4.420 nan 0.000 0.282 415 P C 0.797 178.234 177.300 0.228 0.000 1.262 415 P CA 0.177 63.399 63.100 0.204 0.000 0.773 415 P CB 1.094 32.896 31.700 0.169 0.000 0.879 416 T N 3.017 117.663 114.554 0.152 0.000 2.737 416 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 416 T C 1.535 176.311 174.700 0.127 0.000 1.040 416 T CA 1.643 63.818 62.100 0.126 0.000 1.142 416 T CB -0.374 68.538 68.868 0.074 0.000 0.861 416 T HN 0.510 nan 8.240 nan 0.000 0.456 417 R N 1.415 121.982 120.500 0.112 0.000 2.096 417 R HA -0.005 4.334 4.340 -0.000 0.000 0.235 417 R C 2.361 178.724 176.300 0.105 0.000 1.127 417 R CA 1.305 57.458 56.100 0.088 0.000 0.968 417 R CB -0.324 30.022 30.300 0.076 0.000 0.861 417 R HN 0.466 nan 8.270 nan 0.000 0.440 418 E N 0.153 120.455 120.200 0.171 0.000 2.072 418 E HA -0.195 4.154 4.350 -0.000 0.000 0.190 418 E C 1.644 178.351 176.600 0.180 0.000 0.982 418 E CA 0.987 57.524 56.400 0.229 0.000 0.803 418 E CB -0.166 29.750 29.700 0.360 0.000 0.755 418 E HN 0.323 nan 8.360 nan 0.000 0.453 419 Y N 1.813 122.074 120.300 -0.065 0.000 2.224 419 Y HA -0.231 4.319 4.550 -0.000 0.000 0.289 419 Y C 2.333 178.092 175.900 -0.235 0.000 1.146 419 Y CA 1.755 59.507 58.100 -0.581 0.000 1.182 419 Y CB -0.431 37.519 38.460 -0.850 0.000 0.983 419 Y HN -0.087 nan 8.280 nan 0.000 0.524 420 T N 0.233 114.671 114.554 -0.194 0.000 2.746 420 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 420 T C 1.360 175.977 174.700 -0.138 0.000 1.039 420 T CA 1.645 63.638 62.100 -0.179 0.000 1.142 420 T CB -0.339 68.504 68.868 -0.042 0.000 0.866 420 T HN 0.361 nan 8.240 nan 0.000 0.444 421 D N 0.553 120.930 120.400 -0.039 0.000 2.117 421 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 421 D C 1.676 177.995 176.300 0.031 0.000 0.987 421 D CA 0.657 54.666 54.000 0.016 0.000 0.829 421 D CB -0.488 40.354 40.800 0.069 0.000 0.961 421 D HN 0.389 nan 8.370 nan 0.000 0.460 422 F N 1.834 121.710 119.950 -0.123 0.000 2.161 422 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 422 F C 2.239 177.963 175.800 -0.125 0.000 1.089 422 F CA 1.379 59.337 58.000 -0.069 0.000 1.282 422 F CB 0.019 38.888 39.000 -0.218 0.000 1.010 422 F HN -0.205 nan 8.300 nan 0.000 0.485 423 R N 0.375 120.632 120.500 -0.406 0.000 2.081 423 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 423 R C 2.194 178.346 176.300 -0.247 0.000 1.131 423 R CA 1.949 57.782 56.100 -0.445 0.000 0.960 423 R CB -0.442 29.606 30.300 -0.420 0.000 0.856 423 R HN 0.455 nan 8.270 nan 0.000 0.436 424 E N -0.301 119.810 120.200 -0.149 0.000 2.031 424 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 424 E C 1.696 178.263 176.600 -0.055 0.000 0.994 424 E CA 1.151 57.510 56.400 -0.069 0.000 0.800 424 E CB -0.282 29.403 29.700 -0.026 0.000 0.752 424 E HN 0.307 nan 8.360 nan 0.000 0.447 425 Y N 0.258 120.470 120.300 -0.147 0.000 2.465 425 Y HA -0.233 4.317 4.550 -0.000 0.000 0.289 425 Y C 1.681 177.480 175.900 -0.168 0.000 1.150 425 Y CA 0.937 58.957 58.100 -0.133 0.000 1.293 425 Y CB -0.110 38.289 38.460 -0.101 0.000 0.977 425 Y HN 0.062 nan 8.280 nan 0.000 0.556 426 F N -0.775 118.844 119.950 -0.551 0.000 2.274 426 F HA 0.020 4.547 4.527 -0.000 0.000 0.288 426 F C 2.011 177.596 175.800 -0.359 0.000 1.069 426 F CA 1.096 58.764 58.000 -0.554 0.000 1.343 426 F CB -0.387 38.215 39.000 -0.664 0.000 1.089 426 F HN -0.094 nan 8.300 nan 0.000 0.517 427 M N 0.170 119.806 119.600 0.060 0.000 2.460 427 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 427 M C 1.551 177.778 176.300 -0.123 0.000 1.071 427 M CA 1.313 56.618 55.300 0.009 0.000 1.096 427 M CB -0.275 32.342 32.600 0.029 0.000 1.408 427 M HN 0.257 nan 8.290 nan 0.000 0.463 428 E N -0.789 119.304 120.200 -0.178 0.000 2.190 428 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 428 E C 0.582 177.042 176.600 -0.232 0.000 0.978 428 E CA 0.353 56.657 56.400 -0.161 0.000 0.839 428 E CB 0.550 30.180 29.700 -0.117 0.000 0.787 428 E HN 0.223 nan 8.360 nan 0.000 0.473 429 V N 0.000 119.688 119.914 -0.377 0.000 2.409 429 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 429 V CA 0.000 62.050 62.300 -0.417 0.000 1.235 429 V CB 0.000 31.481 31.823 -0.570 0.000 1.184 429 V HN 0.000 nan 8.190 nan 0.000 0.556