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 1v5b_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTAMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE LASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.119 176.300 -0.302 0.000 1.140 1 M CA 0.000 55.099 55.300 -0.335 0.000 0.988 1 M CB 0.000 32.395 32.600 -0.341 0.000 1.302 2 K N 1.922 122.199 120.400 -0.204 0.000 2.174 2 K HA 0.844 5.165 4.320 0.000 0.000 0.275 2 K C -0.839 175.605 176.600 -0.259 0.000 1.015 2 K CA -0.391 55.789 56.287 -0.178 0.000 0.933 2 K CB 1.390 33.833 32.500 -0.095 0.000 1.025 2 K HN 0.800 nan 8.250 nan 0.000 0.463 3 M N -0.087 119.340 119.600 -0.289 0.000 2.325 3 M HA 0.398 4.878 4.480 0.000 0.000 0.285 3 M C -1.458 174.710 176.300 -0.221 0.000 1.119 3 M CA -1.062 54.038 55.300 -0.334 0.000 0.959 3 M CB 1.846 33.920 32.600 -0.877 0.000 1.737 3 M HN 0.127 nan 8.290 nan 0.000 0.486 4 K N 3.887 124.254 120.400 -0.054 0.000 2.201 4 K HA 0.722 5.042 4.320 0.000 0.000 0.278 4 K C -1.216 175.375 176.600 -0.016 0.000 1.027 4 K CA -0.377 55.884 56.287 -0.044 0.000 0.909 4 K CB 1.770 34.294 32.500 0.040 0.000 1.062 4 K HN 0.776 nan 8.250 nan 0.000 0.465 5 L N 1.643 122.790 121.223 -0.125 0.000 2.376 5 L HA 0.384 4.724 4.340 0.000 0.000 0.275 5 L C -0.282 176.616 176.870 0.046 0.000 0.987 5 L CA -0.976 53.827 54.840 -0.062 0.000 0.828 5 L CB 2.018 43.921 42.059 -0.260 0.000 1.249 5 L HN 0.619 nan 8.230 nan 0.000 0.409 6 A N 4.108 126.988 122.820 0.101 0.000 2.621 6 A HA 0.551 4.871 4.320 0.000 0.000 0.329 6 A C -0.126 177.533 177.584 0.126 0.000 1.458 6 A CA -0.402 51.706 52.037 0.118 0.000 1.052 6 A CB 0.122 19.200 19.000 0.129 0.000 1.142 6 A HN 0.416 nan 8.150 nan 0.000 0.523 7 V N 3.334 123.340 119.914 0.155 0.000 2.508 7 V HA 0.168 4.288 4.120 0.000 0.000 0.281 7 V C -0.265 175.884 176.094 0.092 0.000 1.041 7 V CA 0.191 62.575 62.300 0.140 0.000 1.016 7 V CB 0.658 32.579 31.823 0.164 0.000 0.984 7 V HN 0.636 nan 8.190 nan 0.000 0.478 8 L N 8.987 130.254 121.223 0.072 0.000 2.462 8 L HA 0.380 4.720 4.340 0.000 0.000 0.255 8 L C -1.188 175.704 176.870 0.037 0.000 1.076 8 L CA -1.234 53.635 54.840 0.049 0.000 0.920 8 L CB 1.458 43.541 42.059 0.040 0.000 1.214 8 L HN 0.374 nan 8.230 nan 0.000 0.472 9 P HA -0.088 nan 4.420 nan 0.000 0.210 9 P C 0.737 178.051 177.300 0.024 0.000 1.185 9 P CA 1.886 65.005 63.100 0.032 0.000 0.924 9 P CB 0.641 32.359 31.700 0.030 0.000 0.786 10 G N -0.369 108.438 108.800 0.012 0.000 2.418 10 G HA2 -0.108 3.852 3.960 0.000 0.000 0.206 10 G HA3 -0.108 3.852 3.960 0.000 0.000 0.206 10 G C -1.568 173.331 174.900 -0.001 0.000 1.202 10 G CA 0.056 45.150 45.100 -0.009 0.000 1.061 10 G HN 0.384 nan 8.290 nan 0.000 0.563 11 D N 0.193 120.589 120.400 -0.006 0.000 2.384 11 D HA 0.616 5.257 4.640 0.000 0.000 0.250 11 D C 1.177 177.526 176.300 0.081 0.000 1.029 11 D CA 1.306 55.331 54.000 0.042 0.000 0.990 11 D CB 0.956 41.753 40.800 -0.005 0.000 1.175 11 D HN 1.700 nan 8.370 nan 0.000 0.532 12 G N 0.743 109.616 108.800 0.121 0.000 2.660 12 G HA2 -0.341 3.619 3.960 0.000 0.000 0.321 12 G HA3 -0.341 3.619 3.960 0.000 0.000 0.321 12 G C 1.007 175.949 174.900 0.071 0.000 1.246 12 G CA 0.631 45.791 45.100 0.098 0.000 1.000 12 G HN 0.871 nan 8.290 nan 0.000 0.550 13 I N 0.657 121.265 120.570 0.063 0.000 3.646 13 I HA 0.391 4.561 4.170 0.000 0.000 0.301 13 I C 2.110 178.267 176.117 0.067 0.000 1.276 13 I CA 1.128 62.458 61.300 0.050 0.000 1.254 13 I CB -0.852 37.163 38.000 0.025 0.000 1.020 13 I HN 0.618 nan 8.210 nan 0.000 0.473 14 G N 3.475 112.319 108.800 0.073 0.000 2.679 14 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 14 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 14 G C -0.103 174.830 174.900 0.055 0.000 1.267 14 G CA 1.472 46.613 45.100 0.070 0.000 0.799 14 G HN 0.395 nan 8.290 nan 0.000 0.606 15 P HA -0.182 nan 4.420 nan 0.000 0.215 15 P C 1.388 178.702 177.300 0.024 0.000 1.163 15 P CA 1.981 65.100 63.100 0.030 0.000 0.894 15 P CB -0.238 31.480 31.700 0.030 0.000 0.791 16 E N -0.212 120.004 120.200 0.026 0.000 2.070 16 E HA -0.158 4.192 4.350 0.000 0.000 0.197 16 E C 2.102 178.713 176.600 0.019 0.000 1.004 16 E CA 2.025 58.435 56.400 0.017 0.000 0.805 16 E CB -0.638 29.071 29.700 0.015 0.000 0.744 16 E HN 0.277 nan 8.360 nan 0.000 0.451 17 V N -1.501 118.435 119.914 0.038 0.000 2.788 17 V HA -0.077 4.043 4.120 0.000 0.000 0.251 17 V C 2.185 178.304 176.094 0.041 0.000 1.068 17 V CA 1.174 63.504 62.300 0.050 0.000 1.090 17 V CB -0.217 31.668 31.823 0.103 0.000 0.710 17 V HN 0.093 nan 8.190 nan 0.000 0.467 18 M N 1.765 121.387 119.600 0.037 0.000 2.132 18 M HA -0.080 4.400 4.480 0.000 0.000 0.263 18 M C 1.689 177.984 176.300 -0.008 0.000 1.065 18 M CA 1.906 57.221 55.300 0.023 0.000 1.122 18 M CB -0.794 31.822 32.600 0.027 0.000 1.365 18 M HN 0.398 nan 8.290 nan 0.000 0.411 19 D N 0.225 120.616 120.400 -0.015 0.000 2.104 19 D HA -0.147 4.493 4.640 0.000 0.000 0.194 19 D C 1.973 178.248 176.300 -0.042 0.000 0.994 19 D CA 1.798 55.774 54.000 -0.041 0.000 0.830 19 D CB -0.531 40.250 40.800 -0.031 0.000 0.959 19 D HN 0.485 nan 8.370 nan 0.000 0.452 20 A N 1.533 124.341 122.820 -0.020 0.000 1.873 20 A HA -0.169 4.151 4.320 0.000 0.000 0.218 20 A C 2.399 179.972 177.584 -0.018 0.000 1.193 20 A CA 2.866 54.893 52.037 -0.017 0.000 0.629 20 A CB -0.937 18.063 19.000 -0.001 0.000 0.826 20 A HN 0.267 nan 8.150 nan 0.000 0.447 21 A N -0.200 122.616 122.820 -0.006 0.000 1.865 21 A HA -0.131 4.189 4.320 0.000 0.000 0.217 21 A C 2.163 179.734 177.584 -0.022 0.000 1.191 21 A CA 1.668 53.705 52.037 0.000 0.000 0.623 21 A CB -0.704 18.308 19.000 0.021 0.000 0.826 21 A HN 0.519 nan 8.150 nan 0.000 0.444 22 I N -1.052 119.480 120.570 -0.064 0.000 2.264 22 I HA -0.293 3.877 4.170 0.000 0.000 0.248 22 I C 2.848 178.868 176.117 -0.162 0.000 1.111 22 I CA 1.442 62.645 61.300 -0.163 0.000 1.382 22 I CB -0.357 37.460 38.000 -0.305 0.000 1.060 22 I HN 0.332 nan 8.210 nan 0.000 0.418 23 R N 0.168 120.600 120.500 -0.113 0.000 2.075 23 R HA -0.130 4.210 4.340 0.000 0.000 0.230 23 R C 2.342 178.611 176.300 -0.051 0.000 1.140 23 R CA 1.492 57.540 56.100 -0.087 0.000 0.928 23 R CB -0.715 29.546 30.300 -0.066 0.000 0.834 23 R HN 0.134 nan 8.270 nan 0.000 0.429 24 V N 2.057 121.950 119.914 -0.034 0.000 2.231 24 V HA -0.323 3.798 4.120 0.000 0.000 0.250 24 V C 2.413 178.505 176.094 -0.002 0.000 1.058 24 V CA 1.929 64.219 62.300 -0.016 0.000 1.022 24 V CB -0.638 31.180 31.823 -0.009 0.000 0.640 24 V HN 0.394 nan 8.190 nan 0.000 0.445 25 L N -0.129 121.100 121.223 0.009 0.000 2.043 25 L HA -0.254 4.086 4.340 0.000 0.000 0.212 25 L C 2.521 179.433 176.870 0.070 0.000 1.075 25 L CA 2.294 57.165 54.840 0.050 0.000 0.752 25 L CB -0.905 41.209 42.059 0.091 0.000 0.891 25 L HN 0.426 nan 8.230 nan 0.000 0.432 26 K N -1.110 119.315 120.400 0.041 0.000 2.002 26 K HA -0.162 4.158 4.320 0.000 0.000 0.209 26 K C 1.912 178.531 176.600 0.031 0.000 1.048 26 K CA 2.049 58.370 56.287 0.057 0.000 0.930 26 K CB -0.307 32.186 32.500 -0.011 0.000 0.714 26 K HN 0.346 nan 8.250 nan 0.000 0.438 27 T N 1.258 115.814 114.554 0.003 0.000 2.635 27 T HA -0.145 4.205 4.350 0.000 0.000 0.267 27 T C 2.013 176.709 174.700 -0.006 0.000 1.040 27 T CA 1.624 63.720 62.100 -0.007 0.000 1.156 27 T CB -0.299 68.560 68.868 -0.015 0.000 0.863 27 T HN -0.043 nan 8.240 nan 0.000 0.430 28 V N 1.420 121.336 119.914 0.003 0.000 2.392 28 V HA -0.127 3.993 4.120 0.000 0.000 0.249 28 V C 2.416 178.510 176.094 0.000 0.000 1.059 28 V CA 1.455 63.757 62.300 0.003 0.000 1.051 28 V CB -0.686 31.148 31.823 0.018 0.000 0.658 28 V HN 0.450 nan 8.190 nan 0.000 0.455 29 L N -0.372 120.870 121.223 0.032 0.000 2.395 29 L HA -0.073 4.267 4.340 0.000 0.000 0.218 29 L C 1.730 178.576 176.870 -0.040 0.000 1.130 29 L CA 0.997 55.866 54.840 0.050 0.000 0.826 29 L CB -0.372 41.758 42.059 0.118 0.000 0.941 29 L HN 0.333 nan 8.230 nan 0.000 0.451 30 D N -0.508 119.872 120.400 -0.034 0.000 2.338 30 D HA -0.103 4.537 4.640 0.000 0.000 0.239 30 D C 1.554 177.796 176.300 -0.097 0.000 1.095 30 D CA 0.114 54.083 54.000 -0.052 0.000 0.888 30 D CB 0.045 40.829 40.800 -0.026 0.000 0.899 30 D HN 0.182 nan 8.370 nan 0.000 0.525 31 N N 0.882 119.497 118.700 -0.142 0.000 2.011 31 N HA -0.145 4.596 4.740 0.000 0.000 0.199 31 N C -0.526 174.867 175.510 -0.195 0.000 1.047 31 N CA 1.671 54.622 53.050 -0.165 0.000 0.863 31 N CB 0.275 38.624 38.487 -0.230 0.000 1.056 31 N HN 0.120 nan 8.380 nan 0.000 0.427 32 D N -2.422 117.777 120.400 -0.335 0.000 2.452 32 D HA 0.180 4.820 4.640 0.000 0.000 0.226 32 D C -0.269 175.874 176.300 -0.263 0.000 1.366 32 D CA -0.350 53.496 54.000 -0.256 0.000 0.986 32 D CB 0.298 40.971 40.800 -0.213 0.000 1.420 32 D HN 0.379 nan 8.370 nan 0.000 0.583 33 G N 2.270 111.006 108.800 -0.108 0.000 2.263 33 G HA2 -0.290 3.670 3.960 0.000 0.000 0.266 33 G HA3 -0.290 3.670 3.960 0.000 0.000 0.266 33 G C -0.217 174.726 174.900 0.071 0.000 0.817 33 G CA 0.559 45.646 45.100 -0.021 0.000 1.111 33 G HN 0.780 nan 8.290 nan 0.000 0.445 34 H N -0.012 119.034 119.070 -0.040 0.000 2.604 34 H HA 0.338 4.895 4.556 0.000 0.000 0.306 34 H C 0.369 175.653 175.328 -0.074 0.000 1.075 34 H CA -0.719 55.286 56.048 -0.071 0.000 1.357 34 H CB 1.091 30.800 29.762 -0.088 0.000 1.426 34 H HN 0.446 nan 8.280 nan 0.000 0.470 35 E N 1.807 122.014 120.200 0.011 0.000 2.331 35 E HA 0.496 4.846 4.350 0.000 0.000 0.272 35 E C -1.103 175.419 176.600 -0.131 0.000 1.036 35 E CA -0.505 55.871 56.400 -0.040 0.000 0.864 35 E CB 0.857 30.528 29.700 -0.048 0.000 1.035 35 E HN 0.716 nan 8.360 nan 0.000 0.408 36 A N 3.099 125.835 122.820 -0.141 0.000 2.541 36 A HA 0.335 4.655 4.320 0.000 0.000 0.285 36 A C -1.308 176.036 177.584 -0.400 0.000 1.058 36 A CA -0.702 51.130 52.037 -0.342 0.000 0.886 36 A CB 0.605 19.353 19.000 -0.420 0.000 1.411 36 A HN 0.349 nan 8.150 nan 0.000 0.403 37 V N 2.149 121.860 119.914 -0.338 0.000 2.546 37 V HA 0.556 4.676 4.120 0.000 0.000 0.284 37 V C -0.423 175.459 176.094 -0.354 0.000 1.050 37 V CA -0.040 62.151 62.300 -0.183 0.000 0.981 37 V CB 0.768 32.549 31.823 -0.071 0.000 0.990 37 V HN 0.650 nan 8.190 nan 0.000 0.474 38 F N 2.041 122.003 119.950 0.019 0.000 2.458 38 F HA 0.523 5.050 4.527 0.000 0.000 0.336 38 F C 0.382 176.200 175.800 0.030 0.000 1.114 38 F CA -0.468 57.548 58.000 0.027 0.000 0.987 38 F CB 1.637 40.650 39.000 0.021 0.000 1.130 38 F HN 0.453 nan 8.300 nan 0.000 0.458 39 E N 2.825 123.134 120.200 0.181 0.000 2.331 39 E HA 0.192 4.542 4.350 0.000 0.000 0.243 39 E C -0.953 175.718 176.600 0.118 0.000 0.925 39 E CA -0.704 55.770 56.400 0.122 0.000 0.760 39 E CB 0.694 30.442 29.700 0.080 0.000 1.254 39 E HN 0.621 nan 8.360 nan 0.000 0.419 40 N N 1.874 120.638 118.700 0.108 0.000 2.395 40 N HA 0.229 4.969 4.740 0.000 0.000 0.246 40 N C -1.254 174.297 175.510 0.067 0.000 1.246 40 N CA 0.604 53.705 53.050 0.085 0.000 0.879 40 N CB 0.864 39.390 38.487 0.064 0.000 1.098 40 N HN 0.488 nan 8.380 nan 0.000 0.444 41 A N 1.726 124.582 122.820 0.059 0.000 2.549 41 A HA 0.575 4.896 4.320 0.000 0.000 0.297 41 A C -1.648 175.957 177.584 0.035 0.000 1.061 41 A CA -0.605 51.460 52.037 0.047 0.000 0.690 41 A CB 1.039 20.070 19.000 0.053 0.000 1.287 41 A HN 0.550 nan 8.150 nan 0.000 0.402 42 L N 1.737 122.975 121.223 0.025 0.000 2.307 42 L HA 0.807 5.147 4.340 0.000 0.000 0.282 42 L C -0.450 176.418 176.870 -0.004 0.000 1.051 42 L CA -0.165 54.682 54.840 0.012 0.000 0.804 42 L CB 1.154 43.221 42.059 0.013 0.000 1.197 42 L HN 0.785 nan 8.230 nan 0.000 0.431 43 I N 2.045 122.601 120.570 -0.024 0.000 3.458 43 I HA 0.828 4.998 4.170 0.000 0.000 0.316 43 I C 0.607 176.663 176.117 -0.102 0.000 1.202 43 I CA 0.439 61.711 61.300 -0.047 0.000 0.929 43 I CB 1.429 39.411 38.000 -0.030 0.000 1.340 43 I HN 0.748 nan 8.210 nan 0.000 0.481 44 G N 1.391 110.111 108.800 -0.133 0.000 2.602 44 G HA2 -0.250 3.710 3.960 0.000 0.000 0.306 44 G HA3 -0.250 3.710 3.960 0.000 0.000 0.306 44 G C 0.860 175.528 174.900 -0.387 0.000 1.301 44 G CA 0.737 45.697 45.100 -0.233 0.000 0.974 44 G HN 1.713 nan 8.290 nan 0.000 0.547 45 G N -0.289 108.094 108.800 -0.695 0.000 2.440 45 G HA2 0.162 4.123 3.960 0.000 0.000 0.218 45 G HA3 0.162 4.123 3.960 0.000 0.000 0.218 45 G C 2.189 176.782 174.900 -0.512 0.000 1.154 45 G CA 3.297 47.610 45.100 -1.310 0.000 0.767 45 G HN 1.882 nan 8.290 nan 0.000 0.552 46 A N 1.544 124.237 122.820 -0.211 0.000 1.842 46 A HA 0.116 4.436 4.320 0.000 0.000 0.217 46 A C 2.908 180.493 177.584 0.002 0.000 1.206 46 A CA 3.014 55.055 52.037 0.007 0.000 0.630 46 A CB -1.291 17.717 19.000 0.013 0.000 0.839 46 A HN 1.093 nan 8.150 nan 0.000 0.447 47 A N -0.317 122.478 122.820 -0.040 0.000 1.958 47 A HA -0.211 4.109 4.320 0.000 0.000 0.221 47 A C 2.128 179.706 177.584 -0.011 0.000 1.178 47 A CA 1.889 53.914 52.037 -0.020 0.000 0.642 47 A CB -0.822 18.157 19.000 -0.035 0.000 0.816 47 A HN 0.576 nan 8.150 nan 0.000 0.453 48 I N -0.449 120.089 120.570 -0.054 0.000 2.127 48 I HA -0.272 3.898 4.170 0.000 0.000 0.241 48 I C 2.121 178.299 176.117 0.101 0.000 1.075 48 I CA 1.570 62.867 61.300 -0.005 0.000 1.334 48 I CB -0.703 37.246 38.000 -0.084 0.000 1.040 48 I HN 0.310 nan 8.210 nan 0.000 0.405 49 D N 1.259 121.767 120.400 0.179 0.000 2.212 49 D HA -0.194 4.446 4.640 0.000 0.000 0.197 49 D C 1.102 177.472 176.300 0.116 0.000 1.004 49 D CA 1.616 55.741 54.000 0.208 0.000 0.864 49 D CB -0.466 40.481 40.800 0.246 0.000 1.027 49 D HN 0.449 nan 8.370 nan 0.000 0.455 50 E N -0.354 119.899 120.200 0.088 0.000 2.280 50 E HA 0.585 4.935 4.350 0.000 0.000 0.279 50 E C -0.183 176.444 176.600 0.045 0.000 1.325 50 E CA -0.303 56.133 56.400 0.061 0.000 1.486 50 E CB 0.759 30.491 29.700 0.054 0.000 1.466 50 E HN 0.208 nan 8.360 nan 0.000 0.473 51 A N 0.411 123.257 122.820 0.044 0.000 2.408 51 A HA 0.490 4.810 4.320 0.000 0.000 0.195 51 A C 1.499 179.100 177.584 0.029 0.000 2.215 51 A CA -0.195 51.861 52.037 0.030 0.000 1.224 51 A CB -0.743 18.270 19.000 0.022 0.000 0.924 51 A HN 0.872 nan 8.150 nan 0.000 0.450 52 G N -0.317 108.507 108.800 0.040 0.000 2.296 52 G HA2 0.031 3.991 3.960 0.000 0.000 0.282 52 G HA3 0.031 3.991 3.960 0.000 0.000 0.282 52 G C 0.328 175.245 174.900 0.027 0.000 1.014 52 G CA 1.747 46.871 45.100 0.039 0.000 0.812 52 G HN 2.010 nan 8.290 nan 0.000 0.508 53 T N -1.506 113.058 114.554 0.017 0.000 3.087 53 T HA 0.586 4.936 4.350 0.000 0.000 0.351 53 T C -1.856 172.830 174.700 -0.023 0.000 1.520 53 T CA -0.193 61.908 62.100 0.001 0.000 1.111 53 T CB 1.997 70.866 68.868 0.002 0.000 1.353 53 T HN -0.116 nan 8.240 nan 0.000 0.481 54 P HA 0.152 nan 4.420 nan 0.000 0.229 54 P C 0.230 177.494 177.300 -0.060 0.000 1.160 54 P CA 0.293 63.345 63.100 -0.080 0.000 0.777 54 P CB 0.278 31.927 31.700 -0.084 0.000 0.814 55 L N 0.263 121.467 121.223 -0.032 0.000 2.490 55 L HA 0.599 4.939 4.340 0.000 0.000 0.256 55 L C -3.036 173.830 176.870 -0.007 0.000 1.089 55 L CA -2.703 52.125 54.840 -0.019 0.000 0.916 55 L CB 1.305 43.356 42.059 -0.013 0.000 1.188 55 L HN -0.320 nan 8.230 nan 0.000 0.476 56 P HA 0.118 nan 4.420 nan 0.000 0.267 56 P C 0.326 177.630 177.300 0.006 0.000 1.200 56 P CA 0.110 63.212 63.100 0.003 0.000 0.772 56 P CB 0.857 32.561 31.700 0.007 0.000 0.855 57 E N 2.658 122.862 120.200 0.007 0.000 2.150 57 E HA -0.228 4.122 4.350 0.000 0.000 0.193 57 E C 1.607 178.212 176.600 0.009 0.000 0.985 57 E CA 1.542 57.946 56.400 0.006 0.000 0.814 57 E CB -0.497 29.206 29.700 0.005 0.000 0.752 57 E HN 0.528 nan 8.360 nan 0.000 0.466 58 E N -0.582 119.625 120.200 0.011 0.000 2.204 58 E HA -0.152 4.198 4.350 0.000 0.000 0.195 58 E C 1.625 178.237 176.600 0.019 0.000 0.990 58 E CA 1.985 58.394 56.400 0.015 0.000 0.821 58 E CB -0.567 29.143 29.700 0.016 0.000 0.750 58 E HN 0.223 nan 8.360 nan 0.000 0.477 59 T N 0.975 115.540 114.554 0.019 0.000 2.812 59 T HA 0.007 4.357 4.350 0.000 0.000 0.264 59 T C 1.774 176.491 174.700 0.029 0.000 1.042 59 T CA 1.206 63.321 62.100 0.025 0.000 1.140 59 T CB -0.200 68.679 68.868 0.019 0.000 0.870 59 T HN 0.125 nan 8.240 nan 0.000 0.445 60 L N 0.883 122.118 121.223 0.020 0.000 2.046 60 L HA -0.136 4.204 4.340 0.000 0.000 0.208 60 L C 2.389 179.268 176.870 0.014 0.000 1.077 60 L CA 1.505 56.356 54.840 0.018 0.000 0.747 60 L CB -0.777 41.286 42.059 0.006 0.000 0.896 60 L HN 0.201 nan 8.230 nan 0.000 0.432 61 D N 0.230 120.636 120.400 0.011 0.000 2.104 61 D HA -0.203 4.438 4.640 0.000 0.000 0.194 61 D C 2.230 178.541 176.300 0.018 0.000 0.994 61 D CA 1.198 55.202 54.000 0.008 0.000 0.830 61 D CB 0.002 40.807 40.800 0.009 0.000 0.959 61 D HN 0.123 nan 8.370 nan 0.000 0.452 62 I N 0.708 121.296 120.570 0.030 0.000 2.118 62 I HA -0.304 3.866 4.170 0.000 0.000 0.241 62 I C 2.478 178.632 176.117 0.063 0.000 1.070 62 I CA 0.956 62.283 61.300 0.045 0.000 1.327 62 I CB -1.510 36.520 38.000 0.051 0.000 1.034 62 I HN 0.219 nan 8.210 nan 0.000 0.405 63 C N 1.094 120.439 119.300 0.074 0.000 2.413 63 C HA -0.144 4.316 4.460 0.000 0.000 0.276 63 C C 2.912 177.948 174.990 0.077 0.000 1.236 63 C CA 0.420 59.513 59.018 0.124 0.000 1.735 63 C CB -1.042 26.777 27.740 0.132 0.000 2.031 63 C HN 0.455 nan 8.230 nan 0.000 0.474 64 R N 1.394 121.889 120.500 -0.009 0.000 2.140 64 R HA -0.173 4.167 4.340 0.000 0.000 0.250 64 R C 1.838 178.088 176.300 -0.083 0.000 1.150 64 R CA 1.596 57.639 56.100 -0.095 0.000 0.966 64 R CB -0.781 29.477 30.300 -0.069 0.000 0.869 64 R HN 0.726 nan 8.270 nan 0.000 0.445 65 R N 0.628 121.122 120.500 -0.009 0.000 2.449 65 R HA 0.263 4.604 4.340 0.000 0.000 0.262 65 R C 0.024 176.363 176.300 0.066 0.000 1.006 65 R CA -0.041 56.067 56.100 0.014 0.000 1.104 65 R CB 0.314 30.623 30.300 0.014 0.000 1.206 65 R HN -0.098 nan 8.270 nan 0.000 0.538 66 S N 0.453 116.235 115.700 0.136 0.000 2.766 66 S HA 0.260 4.730 4.470 0.000 0.000 0.307 66 S C -0.230 174.594 174.600 0.375 0.000 1.121 66 S CA -0.902 57.433 58.200 0.225 0.000 0.980 66 S CB 1.471 64.819 63.200 0.247 0.000 1.159 66 S HN 0.179 nan 8.310 nan 0.000 0.546 67 D N 1.039 121.641 120.400 0.336 0.000 2.643 67 D HA 0.565 5.205 4.640 0.000 0.000 0.244 67 D C -0.149 176.197 176.300 0.078 0.000 1.257 67 D CA 0.288 54.498 54.000 0.351 0.000 0.831 67 D CB 0.492 41.563 40.800 0.453 0.000 1.043 67 D HN 0.680 nan 8.370 nan 0.000 0.488 68 A N 0.229 122.976 122.820 -0.121 0.000 2.447 68 A HA 0.121 4.441 4.320 0.000 0.000 0.348 68 A C -1.681 175.762 177.584 -0.235 0.000 0.760 68 A CA -0.817 50.864 52.037 -0.593 0.000 0.569 68 A CB -0.127 18.719 19.000 -0.256 0.000 1.592 68 A HN 0.013 nan 8.150 nan 0.000 0.368 69 I N 1.494 121.905 120.570 -0.265 0.000 2.392 69 I HA 0.472 4.642 4.170 0.000 0.000 0.295 69 I C -0.033 176.124 176.117 0.066 0.000 0.985 69 I CA -0.430 60.854 61.300 -0.027 0.000 1.221 69 I CB 1.359 39.351 38.000 -0.013 0.000 1.366 69 I HN 0.630 nan 8.210 nan 0.000 0.467 70 L N 6.842 128.121 121.223 0.095 0.000 2.301 70 L HA 0.405 4.745 4.340 0.000 0.000 0.278 70 L C -0.591 176.330 176.870 0.086 0.000 1.022 70 L CA -0.466 54.443 54.840 0.116 0.000 0.854 70 L CB 1.438 43.575 42.059 0.129 0.000 1.226 70 L HN 0.418 nan 8.230 nan 0.000 0.429 71 L N 2.467 123.733 121.223 0.071 0.000 2.358 71 L HA 0.717 5.057 4.340 0.000 0.000 0.268 71 L C 0.732 177.621 176.870 0.031 0.000 1.032 71 L CA 0.185 55.049 54.840 0.041 0.000 0.805 71 L CB 1.896 43.966 42.059 0.017 0.000 1.253 71 L HN 0.498 nan 8.230 nan 0.000 0.452 72 G N 0.543 109.356 108.800 0.022 0.000 2.583 72 G HA2 0.710 4.670 3.960 0.000 0.000 0.214 72 G HA3 0.710 4.670 3.960 0.000 0.000 0.214 72 G C -0.810 174.094 174.900 0.006 0.000 2.072 72 G CA 0.429 45.544 45.100 0.025 0.000 0.745 72 G HN 0.914 nan 8.290 nan 0.000 0.762 73 A N -1.613 121.218 122.820 0.019 0.000 2.586 73 A HA 0.678 4.998 4.320 0.000 0.000 0.290 73 A C -1.498 176.084 177.584 -0.003 0.000 1.086 73 A CA 0.138 52.182 52.037 0.013 0.000 0.665 73 A CB 1.248 20.281 19.000 0.056 0.000 1.279 73 A HN 1.903 nan 8.150 nan 0.000 0.423 74 V N -1.899 118.002 119.914 -0.022 0.000 2.808 74 V HA 1.017 5.137 4.120 0.000 0.000 0.308 74 V C -0.203 175.850 176.094 -0.069 0.000 1.099 74 V CA 0.280 62.536 62.300 -0.074 0.000 0.920 74 V CB 1.086 32.839 31.823 -0.116 0.000 1.014 74 V HN 2.787 nan 8.190 nan 0.000 0.425 75 G N 1.050 109.791 108.800 -0.097 0.000 2.352 75 G HA2 0.715 4.675 3.960 0.000 0.000 0.305 75 G HA3 0.715 4.675 3.960 0.000 0.000 0.305 75 G C -0.432 174.585 174.900 0.195 0.000 1.537 75 G CA 0.218 45.316 45.100 -0.004 0.000 0.959 75 G HN 2.521 nan 8.290 nan 0.000 0.668 76 G N 0.417 109.448 108.800 0.386 0.000 2.405 76 G HA2 0.716 4.676 3.960 0.000 0.000 0.303 76 G HA3 0.716 4.676 3.960 0.000 0.000 0.303 76 G C -1.558 173.581 174.900 0.398 0.000 1.644 76 G CA 0.417 45.843 45.100 0.544 0.000 0.899 76 G HN 0.674 nan 8.290 nan 0.000 0.667 77 P HA -0.213 nan 4.420 nan 0.000 0.215 77 P C 1.611 178.864 177.300 -0.080 0.000 1.153 77 P CA 1.268 64.381 63.100 0.022 0.000 0.853 77 P CB 0.201 31.886 31.700 -0.025 0.000 0.788 78 K N -0.531 119.671 120.400 -0.330 0.000 2.163 78 K HA -0.183 4.137 4.320 0.000 0.000 0.210 78 K C 1.918 178.181 176.600 -0.563 0.000 1.048 78 K CA 1.968 57.860 56.287 -0.659 0.000 0.928 78 K CB -0.407 31.294 32.500 -1.332 0.000 0.716 78 K HN 0.272 nan 8.250 nan 0.000 0.459 79 W N 1.323 122.637 121.300 0.024 0.000 2.872 79 W HA 0.020 4.680 4.660 0.000 0.000 0.266 79 W C 0.383 176.920 176.519 0.030 0.000 1.276 79 W CA 0.281 57.646 57.345 0.033 0.000 1.471 79 W CB -0.379 29.095 29.460 0.023 0.000 1.071 79 W HN 0.253 nan 8.180 nan 0.000 0.619 80 D N -0.516 120.007 120.400 0.204 0.000 2.906 80 D HA -0.143 4.497 4.640 0.000 0.000 0.237 80 D C 0.827 177.118 176.300 -0.015 0.000 1.201 80 D CA 0.929 54.978 54.000 0.082 0.000 0.998 80 D CB -0.739 40.076 40.800 0.026 0.000 1.183 80 D HN 0.009 nan 8.370 nan 0.000 0.436 81 H N -0.495 118.615 119.070 0.067 0.000 3.398 81 H HA 0.174 4.730 4.556 0.000 0.000 0.260 81 H C -0.498 174.854 175.328 0.041 0.000 1.189 81 H CA -0.346 55.723 56.048 0.035 0.000 1.145 81 H CB 0.322 30.090 29.762 0.010 0.000 1.599 81 H HN 0.388 nan 8.280 nan 0.000 0.615 82 N N 0.637 119.446 118.700 0.183 0.000 2.457 82 N HA 0.341 5.081 4.740 0.000 0.000 0.290 82 N C -2.757 172.810 175.510 0.095 0.000 1.232 82 N CA -1.889 51.236 53.050 0.125 0.000 0.852 82 N CB 0.459 39.019 38.487 0.123 0.000 1.313 82 N HN -0.192 nan 8.380 nan 0.000 0.522 83 P HA -0.026 nan 4.420 nan 0.000 0.266 83 P C 0.319 177.648 177.300 0.048 0.000 1.193 83 P CA -0.086 63.044 63.100 0.050 0.000 0.770 83 P CB 0.556 32.279 31.700 0.039 0.000 0.836 84 A N 2.995 125.836 122.820 0.034 0.000 1.892 84 A HA -0.232 4.088 4.320 0.000 0.000 0.218 84 A C 2.573 180.168 177.584 0.019 0.000 1.188 84 A CA 2.406 54.458 52.037 0.025 0.000 0.631 84 A CB -1.676 17.330 19.000 0.011 0.000 0.822 84 A HN 0.613 nan 8.150 nan 0.000 0.447 85 S N -0.838 114.873 115.700 0.017 0.000 2.409 85 S HA -0.181 4.289 4.470 0.000 0.000 0.237 85 S C 1.156 175.764 174.600 0.013 0.000 1.060 85 S CA 1.726 59.934 58.200 0.013 0.000 1.052 85 S CB -0.426 62.784 63.200 0.016 0.000 0.871 85 S HN 0.469 nan 8.310 nan 0.000 0.465 86 L N 1.031 122.269 121.223 0.026 0.000 2.978 86 L HA 0.345 4.685 4.340 0.000 0.000 0.239 86 L C 0.454 177.344 176.870 0.033 0.000 1.293 86 L CA -0.220 54.639 54.840 0.032 0.000 1.085 86 L CB 0.021 42.114 42.059 0.056 0.000 1.432 86 L HN 0.069 nan 8.230 nan 0.000 0.512 87 R N -0.592 119.911 120.500 0.004 0.000 2.873 87 R HA 0.378 4.718 4.340 0.000 0.000 0.264 87 R C -1.694 174.540 176.300 -0.109 0.000 1.026 87 R CA -1.808 54.282 56.100 -0.017 0.000 1.002 87 R CB 0.994 31.314 30.300 0.033 0.000 1.174 87 R HN -0.264 nan 8.270 nan 0.000 0.488 88 P HA -0.261 nan 4.420 nan 0.000 0.217 88 P C 0.308 177.532 177.300 -0.127 0.000 1.162 88 P CA 1.512 64.466 63.100 -0.244 0.000 0.901 88 P CB 0.274 31.795 31.700 -0.299 0.000 0.793 89 E N -0.074 120.080 120.200 -0.078 0.000 2.068 89 E HA -0.255 4.095 4.350 0.000 0.000 0.207 89 E C 2.007 178.585 176.600 -0.037 0.000 1.032 89 E CA 1.392 57.764 56.400 -0.046 0.000 0.839 89 E CB -0.890 28.794 29.700 -0.027 0.000 0.758 89 E HN 0.109 nan 8.360 nan 0.000 0.457 90 K N 0.480 120.861 120.400 -0.031 0.000 2.173 90 K HA -0.167 4.153 4.320 0.000 0.000 0.207 90 K C 2.070 178.656 176.600 -0.023 0.000 1.046 90 K CA 1.525 57.801 56.287 -0.019 0.000 0.929 90 K CB -0.693 31.798 32.500 -0.015 0.000 0.720 90 K HN 0.307 nan 8.250 nan 0.000 0.453 91 G N 0.907 109.682 108.800 -0.043 0.000 2.433 91 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 91 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 91 G C 1.491 176.375 174.900 -0.027 0.000 1.186 91 G CA 0.602 45.676 45.100 -0.043 0.000 0.779 91 G HN 0.217 nan 8.290 nan 0.000 0.543 92 L N 0.264 121.469 121.223 -0.029 0.000 2.109 92 L HA 0.193 4.534 4.340 0.000 0.000 0.207 92 L C 2.858 179.726 176.870 -0.003 0.000 1.086 92 L CA 0.761 55.590 54.840 -0.017 0.000 0.760 92 L CB -0.724 41.321 42.059 -0.023 0.000 0.910 92 L HN 0.160 nan 8.230 nan 0.000 0.437 93 L N -0.926 120.298 121.223 0.001 0.000 1.989 93 L HA -0.183 4.157 4.340 0.000 0.000 0.211 93 L C 2.555 179.440 176.870 0.024 0.000 1.071 93 L CA 1.700 56.552 54.840 0.020 0.000 0.749 93 L CB -1.387 40.685 42.059 0.022 0.000 0.890 93 L HN 0.393 nan 8.230 nan 0.000 0.431 94 G N -0.189 108.620 108.800 0.015 0.000 2.404 94 G HA2 -0.266 3.694 3.960 0.000 0.000 0.215 94 G HA3 -0.266 3.694 3.960 0.000 0.000 0.215 94 G C 1.571 176.479 174.900 0.013 0.000 1.174 94 G CA 0.722 45.831 45.100 0.014 0.000 0.780 94 G HN 0.199 nan 8.290 nan 0.000 0.537 95 L N 0.793 122.022 121.223 0.010 0.000 2.051 95 L HA -0.101 4.239 4.340 0.000 0.000 0.214 95 L C 2.749 179.633 176.870 0.024 0.000 1.076 95 L CA 2.501 57.352 54.840 0.017 0.000 0.758 95 L CB -0.593 41.475 42.059 0.015 0.000 0.890 95 L HN 0.289 nan 8.230 nan 0.000 0.433 96 R N -0.392 120.118 120.500 0.016 0.000 2.070 96 R HA -0.232 4.108 4.340 0.000 0.000 0.233 96 R C 2.490 178.801 176.300 0.017 0.000 1.137 96 R CA 2.061 58.169 56.100 0.013 0.000 0.945 96 R CB -0.347 29.958 30.300 0.008 0.000 0.845 96 R HN 0.463 nan 8.270 nan 0.000 0.430 97 K N 0.462 120.873 120.400 0.019 0.000 2.009 97 K HA -0.225 4.095 4.320 0.000 0.000 0.210 97 K C 1.707 178.311 176.600 0.006 0.000 1.049 97 K CA 2.040 58.334 56.287 0.011 0.000 0.929 97 K CB -0.203 32.303 32.500 0.010 0.000 0.714 97 K HN 0.016 nan 8.250 nan 0.000 0.440 98 E N -0.130 120.074 120.200 0.006 0.000 2.526 98 E HA -0.114 4.236 4.350 0.000 0.000 0.205 98 E C 0.604 177.201 176.600 -0.006 0.000 1.104 98 E CA 0.805 57.204 56.400 -0.001 0.000 0.899 98 E CB 0.111 29.811 29.700 0.001 0.000 0.838 98 E HN 0.350 nan 8.360 nan 0.000 0.564 99 M N -1.897 117.707 119.600 0.008 0.000 2.347 99 M HA 0.302 4.782 4.480 0.000 0.000 0.324 99 M C 1.075 177.378 176.300 0.006 0.000 1.028 99 M CA 0.610 55.916 55.300 0.010 0.000 0.988 99 M CB 0.214 32.879 32.600 0.108 0.000 1.528 99 M HN 0.155 nan 8.290 nan 0.000 0.550 100 G N 2.362 111.167 108.800 0.009 0.000 2.283 100 G HA2 -0.244 3.716 3.960 0.000 0.000 0.280 100 G HA3 -0.244 3.716 3.960 0.000 0.000 0.280 100 G C -0.032 174.884 174.900 0.027 0.000 1.029 100 G CA 0.073 45.193 45.100 0.034 0.000 0.840 100 G HN 0.459 nan 8.290 nan 0.000 0.505 101 L N 0.105 121.313 121.223 -0.025 0.000 2.315 101 L HA 0.496 4.836 4.340 0.000 0.000 0.283 101 L C 1.462 178.285 176.870 -0.078 0.000 1.089 101 L CA -0.769 53.981 54.840 -0.150 0.000 0.833 101 L CB 0.323 42.306 42.059 -0.126 0.000 1.170 101 L HN 0.293 nan 8.230 nan 0.000 0.442 102 F N 0.957 120.904 119.950 -0.005 0.000 2.682 102 F HA 0.675 5.202 4.527 0.000 0.000 0.308 102 F C 0.474 176.285 175.800 0.018 0.000 1.093 102 F CA -0.872 57.134 58.000 0.011 0.000 1.244 102 F CB 0.020 39.028 39.000 0.013 0.000 1.052 102 F HN 0.252 nan 8.300 nan 0.000 0.573 103 A N 1.162 123.930 122.820 -0.087 0.000 2.398 103 A HA 0.620 4.940 4.320 0.000 0.000 0.301 103 A C -1.587 175.935 177.584 -0.103 0.000 1.041 103 A CA -0.648 51.385 52.037 -0.006 0.000 0.711 103 A CB 0.884 19.875 19.000 -0.016 0.000 1.240 103 A HN 0.257 nan 8.150 nan 0.000 0.420 104 N N 1.391 120.066 118.700 -0.041 0.000 2.372 104 N HA 0.650 5.390 4.740 0.000 0.000 0.291 104 N C -1.515 173.954 175.510 -0.068 0.000 1.024 104 N CA -0.338 52.670 53.050 -0.069 0.000 0.873 104 N CB 0.957 39.432 38.487 -0.020 0.000 1.206 104 N HN 0.406 nan 8.380 nan 0.000 0.486 105 L N 2.530 123.692 121.223 -0.101 0.000 2.307 105 L HA 0.553 4.893 4.340 0.000 0.000 0.284 105 L C -0.033 176.820 176.870 -0.027 0.000 1.023 105 L CA -0.512 54.279 54.840 -0.081 0.000 0.810 105 L CB 1.390 43.359 42.059 -0.149 0.000 1.231 105 L HN 0.485 nan 8.230 nan 0.000 0.423 106 R N 4.402 124.896 120.500 -0.011 0.000 2.312 106 R HA 0.472 4.812 4.340 0.000 0.000 0.310 106 R C -2.603 173.711 176.300 0.025 0.000 1.064 106 R CA -1.881 54.225 56.100 0.010 0.000 0.983 106 R CB 1.016 31.317 30.300 0.001 0.000 1.139 106 R HN 0.269 nan 8.270 nan 0.000 0.536 107 P HA 0.214 nan 4.420 nan 0.000 0.293 107 P C -0.937 176.392 177.300 0.047 0.000 1.300 107 P CA -0.385 62.753 63.100 0.064 0.000 0.792 107 P CB 1.854 33.621 31.700 0.111 0.000 0.925 108 V N 4.409 124.339 119.914 0.027 0.000 2.483 108 V HA 0.490 4.610 4.120 0.000 0.000 0.297 108 V C 0.113 176.193 176.094 -0.023 0.000 1.027 108 V CA -0.458 61.849 62.300 0.013 0.000 0.855 108 V CB 1.722 33.555 31.823 0.017 0.000 0.995 108 V HN 0.579 nan 8.190 nan 0.000 0.424 109 K N 3.965 124.315 120.400 -0.082 0.000 2.482 109 K HA 0.844 5.164 4.320 0.000 0.000 0.251 109 K C -0.544 175.863 176.600 -0.321 0.000 0.936 109 K CA -0.424 55.746 56.287 -0.196 0.000 0.791 109 K CB 2.127 34.471 32.500 -0.261 0.000 1.213 109 K HN 0.807 nan 8.250 nan 0.000 0.428 110 A N 3.532 126.209 122.820 -0.238 0.000 2.409 110 A HA 0.341 4.661 4.320 0.000 0.000 0.262 110 A C -1.322 176.094 177.584 -0.281 0.000 1.113 110 A CA -0.111 51.819 52.037 -0.178 0.000 0.790 110 A CB -0.150 18.808 19.000 -0.071 0.000 1.046 110 A HN 0.636 nan 8.150 nan 0.000 0.496 111 Y N 2.221 122.534 120.300 0.022 0.000 2.417 111 Y HA 0.415 4.965 4.550 0.000 0.000 0.336 111 Y C 1.415 177.323 175.900 0.014 0.000 0.961 111 Y CA 0.008 58.120 58.100 0.019 0.000 1.215 111 Y CB 1.280 39.752 38.460 0.021 0.000 1.120 111 Y HN 0.875 nan 8.280 nan 0.000 0.499 112 A N 1.951 124.858 122.820 0.145 0.000 1.969 112 A HA -0.325 3.995 4.320 0.000 0.000 0.223 112 A C 2.031 179.661 177.584 0.076 0.000 1.218 112 A CA 2.744 54.832 52.037 0.085 0.000 0.667 112 A CB -1.085 17.956 19.000 0.067 0.000 0.826 112 A HN 0.765 nan 8.150 nan 0.000 0.472 113 T N -3.518 111.090 114.554 0.089 0.000 3.272 113 T HA 0.532 4.882 4.350 0.000 0.000 0.250 113 T C 0.685 175.415 174.700 0.049 0.000 1.082 113 T CA 0.615 62.743 62.100 0.047 0.000 0.968 113 T CB -0.138 68.740 68.868 0.017 0.000 1.015 113 T HN 0.304 nan 8.240 nan 0.000 0.563 114 L N -0.371 120.902 121.223 0.082 0.000 3.386 114 L HA 0.431 4.771 4.340 0.000 0.000 0.307 114 L C 1.395 178.306 176.870 0.068 0.000 1.235 114 L CA -0.082 54.803 54.840 0.076 0.000 1.056 114 L CB 0.306 42.433 42.059 0.113 0.000 1.453 114 L HN 0.184 nan 8.230 nan 0.000 0.615 115 L N 0.033 121.291 121.223 0.059 0.000 2.549 115 L HA -0.111 4.229 4.340 0.000 0.000 0.230 115 L C 1.884 178.773 176.870 0.031 0.000 1.162 115 L CA 0.569 55.435 54.840 0.042 0.000 0.834 115 L CB -0.470 41.609 42.059 0.033 0.000 0.947 115 L HN 0.354 nan 8.230 nan 0.000 0.452 116 N N 0.691 119.409 118.700 0.029 0.000 2.142 116 N HA -0.120 4.620 4.740 0.000 0.000 0.186 116 N C 1.874 177.398 175.510 0.022 0.000 1.023 116 N CA 1.393 54.455 53.050 0.021 0.000 0.852 116 N CB -0.079 38.417 38.487 0.016 0.000 0.998 116 N HN 0.288 nan 8.380 nan 0.000 0.424 117 A N -0.638 122.199 122.820 0.029 0.000 2.168 117 A HA 0.064 4.384 4.320 0.000 0.000 0.215 117 A C 1.196 178.798 177.584 0.030 0.000 1.152 117 A CA 0.271 52.325 52.037 0.029 0.000 0.716 117 A CB -0.424 18.597 19.000 0.035 0.000 0.794 117 A HN 0.259 nan 8.150 nan 0.000 0.465 118 S N -0.011 115.708 115.700 0.031 0.000 2.564 118 S HA 0.317 4.787 4.470 0.000 0.000 0.278 118 S C -1.694 172.920 174.600 0.022 0.000 1.333 118 S CA -1.023 57.194 58.200 0.028 0.000 1.048 118 S CB 0.717 63.933 63.200 0.028 0.000 0.900 118 S HN 0.175 nan 8.310 nan 0.000 0.505 119 P HA 0.235 nan 4.420 nan 0.000 0.245 119 P C -0.821 176.489 177.300 0.015 0.000 1.212 119 P CA 0.511 63.621 63.100 0.017 0.000 0.774 119 P CB 0.074 31.785 31.700 0.017 0.000 0.999 120 L N -0.902 120.331 121.223 0.016 0.000 2.354 120 L HA 0.398 4.738 4.340 0.000 0.000 0.269 120 L C 0.402 177.279 176.870 0.012 0.000 1.005 120 L CA -1.349 53.500 54.840 0.014 0.000 0.819 120 L CB 1.992 44.061 42.059 0.016 0.000 1.311 120 L HN -0.304 nan 8.230 nan 0.000 0.423 121 K N 1.179 121.584 120.400 0.009 0.000 2.469 121 K HA -0.029 4.291 4.320 0.000 0.000 0.274 121 K C 1.087 177.691 176.600 0.007 0.000 0.983 121 K CA -0.011 56.280 56.287 0.007 0.000 0.974 121 K CB 0.805 33.307 32.500 0.004 0.000 0.913 121 K HN 0.610 nan 8.250 nan 0.000 0.493 122 R N 2.501 123.005 120.500 0.006 0.000 2.083 122 R HA -0.195 4.145 4.340 0.000 0.000 0.237 122 R C 1.456 177.757 176.300 0.002 0.000 1.137 122 R CA 1.766 57.869 56.100 0.006 0.000 0.951 122 R CB -0.576 29.728 30.300 0.007 0.000 0.851 122 R HN 0.717 nan 8.270 nan 0.000 0.434 123 E N 1.056 121.256 120.200 -0.001 0.000 2.394 123 E HA -0.217 4.133 4.350 0.000 0.000 0.202 123 E C 1.404 178.000 176.600 -0.007 0.000 1.029 123 E CA 1.077 57.474 56.400 -0.005 0.000 0.855 123 E CB -0.185 29.511 29.700 -0.006 0.000 0.770 123 E HN 0.420 nan 8.360 nan 0.000 0.527 124 R N 0.456 120.954 120.500 -0.003 0.000 2.087 124 R HA 0.099 4.439 4.340 0.000 0.000 0.216 124 R C 2.446 178.747 176.300 0.002 0.000 1.114 124 R CA 1.134 57.233 56.100 -0.002 0.000 1.002 124 R CB -0.799 29.504 30.300 0.004 0.000 0.903 124 R HN 0.258 nan 8.270 nan 0.000 0.445 125 V N 1.301 121.219 119.914 0.005 0.000 3.125 125 V HA 0.080 4.201 4.120 0.000 0.000 0.249 125 V C 0.648 176.740 176.094 -0.002 0.000 1.113 125 V CA 0.157 62.461 62.300 0.007 0.000 1.106 125 V CB -0.160 31.671 31.823 0.013 0.000 0.768 125 V HN 0.306 nan 8.190 nan 0.000 0.468 126 E N 2.221 122.420 120.200 -0.002 0.000 3.306 126 E HA -0.218 4.132 4.350 0.000 0.000 0.230 126 E C -0.302 176.290 176.600 -0.014 0.000 0.992 126 E CA 0.605 57.002 56.400 -0.005 0.000 0.938 126 E CB -0.909 28.789 29.700 -0.003 0.000 0.904 126 E HN 0.769 nan 8.360 nan 0.000 0.568 127 N N 1.636 120.322 118.700 -0.024 0.000 2.525 127 N HA -0.192 4.548 4.740 0.000 0.000 0.283 127 N C -1.296 174.196 175.510 -0.031 0.000 1.259 127 N CA 0.765 53.793 53.050 -0.036 0.000 0.689 127 N CB -0.455 38.017 38.487 -0.025 0.000 0.899 127 N HN 0.251 nan 8.380 nan 0.000 0.541 128 V N 0.755 120.648 119.914 -0.036 0.000 2.604 128 V HA 0.709 4.829 4.120 0.000 0.000 0.305 128 V C -0.861 175.218 176.094 -0.025 0.000 1.043 128 V CA -0.586 61.707 62.300 -0.013 0.000 0.888 128 V CB 2.248 34.076 31.823 0.008 0.000 0.995 128 V HN 0.504 nan 8.190 nan 0.000 0.429 129 D N 5.019 125.420 120.400 0.001 0.000 2.328 129 D HA 0.501 5.141 4.640 0.000 0.000 0.243 129 D C -1.009 175.312 176.300 0.035 0.000 1.324 129 D CA -0.281 53.717 54.000 -0.004 0.000 0.966 129 D CB 0.884 41.673 40.800 -0.018 0.000 1.324 129 D HN 0.572 nan 8.370 nan 0.000 0.549 130 L N 0.498 121.748 121.223 0.045 0.000 2.277 130 L HA 0.930 5.270 4.340 0.000 0.000 0.254 130 L C -1.258 175.635 176.870 0.038 0.000 1.044 130 L CA -1.181 53.696 54.840 0.062 0.000 0.842 130 L CB 1.596 43.716 42.059 0.102 0.000 1.422 130 L HN -0.034 nan 8.230 nan 0.000 0.422 131 V N 1.575 121.504 119.914 0.024 0.000 2.567 131 V HA 0.460 4.580 4.120 0.000 0.000 0.298 131 V C -0.323 175.755 176.094 -0.026 0.000 1.047 131 V CA -0.246 62.063 62.300 0.014 0.000 0.880 131 V CB 1.605 33.453 31.823 0.043 0.000 1.009 131 V HN 0.685 nan 8.190 nan 0.000 0.429 132 I N 4.787 125.335 120.570 -0.037 0.000 2.428 132 I HA 0.386 4.556 4.170 0.000 0.000 0.289 132 I C -0.387 175.707 176.117 -0.037 0.000 1.019 132 I CA -0.454 60.812 61.300 -0.057 0.000 1.351 132 I CB 1.685 39.649 38.000 -0.060 0.000 1.412 132 I HN 0.264 nan 8.210 nan 0.000 0.513 133 V N 7.470 127.367 119.914 -0.028 0.000 2.350 133 V HA 0.420 4.540 4.120 0.000 0.000 0.285 133 V C 0.001 176.123 176.094 0.046 0.000 1.014 133 V CA -0.638 61.661 62.300 -0.003 0.000 0.831 133 V CB 1.476 33.294 31.823 -0.008 0.000 1.000 133 V HN 0.678 nan 8.190 nan 0.000 0.433 134 R N 3.405 123.938 120.500 0.055 0.000 2.562 134 R HA 0.431 4.771 4.340 0.000 0.000 0.298 134 R C -0.484 175.901 176.300 0.141 0.000 0.961 134 R CA -0.635 55.518 56.100 0.089 0.000 0.881 134 R CB 1.739 32.076 30.300 0.062 0.000 1.159 134 R HN 0.651 nan 8.270 nan 0.000 0.450 135 E N 4.352 124.668 120.200 0.193 0.000 2.373 135 E HA 0.058 4.408 4.350 0.000 0.000 0.267 135 E C 0.064 176.814 176.600 0.249 0.000 1.032 135 E CA 0.120 56.678 56.400 0.264 0.000 0.889 135 E CB 0.997 30.901 29.700 0.340 0.000 0.984 135 E HN 0.655 nan 8.360 nan 0.000 0.425 136 L N 2.322 123.704 121.223 0.264 0.000 2.966 136 L HA 0.097 4.437 4.340 0.000 0.000 0.262 136 L C 1.638 178.672 176.870 0.273 0.000 1.165 136 L CA 0.409 55.407 54.840 0.264 0.000 0.978 136 L CB 0.312 42.488 42.059 0.195 0.000 1.337 136 L HN 0.479 nan 8.230 nan 0.000 0.563 137 T N -3.523 111.141 114.554 0.184 0.000 3.015 137 T HA 0.298 4.648 4.350 0.000 0.000 0.250 137 T C 0.969 175.540 174.700 -0.215 0.000 1.057 137 T CA 0.487 62.542 62.100 -0.075 0.000 1.066 137 T CB 0.610 69.468 68.868 -0.017 0.000 0.959 137 T HN 0.183 nan 8.240 nan 0.000 0.488 138 G N -0.053 108.752 108.800 0.009 0.000 3.135 138 G HA2 0.647 4.607 3.960 0.000 0.000 0.159 138 G HA3 0.647 4.607 3.960 0.000 0.000 0.159 138 G C 0.354 174.965 174.900 -0.481 0.000 1.244 138 G CA -0.336 44.554 45.100 -0.349 0.000 0.965 138 G HN 1.085 nan 8.290 nan 0.000 0.599 139 G N -1.840 106.120 108.800 -1.401 0.000 2.660 139 G HA2 0.100 4.060 3.960 0.000 0.000 0.247 139 G HA3 0.100 4.060 3.960 0.000 0.000 0.247 139 G C 0.549 175.248 174.900 -0.334 0.000 1.328 139 G CA 0.183 44.833 45.100 -0.750 0.000 0.884 139 G HN 1.501 nan 8.290 nan 0.000 0.531 140 L N -0.757 120.298 121.223 -0.280 0.000 2.109 140 L HA 0.190 4.530 4.340 0.000 0.000 0.207 140 L C 2.694 179.553 176.870 -0.019 0.000 1.086 140 L CA 2.033 56.790 54.840 -0.138 0.000 0.760 140 L CB -0.958 41.013 42.059 -0.147 0.000 0.910 140 L HN 0.654 nan 8.230 nan 0.000 0.437 141 Y N -1.245 118.905 120.300 -0.250 0.000 2.556 141 Y HA -0.185 4.366 4.550 0.000 0.000 0.290 141 Y C 1.714 177.207 175.900 -0.679 0.000 1.149 141 Y CA 0.670 58.493 58.100 -0.462 0.000 1.329 141 Y CB -0.724 37.379 38.460 -0.595 0.000 0.975 141 Y HN 0.225 nan 8.280 nan 0.000 0.561 142 F N -1.977 117.990 119.950 0.028 0.000 2.729 142 F HA 0.367 4.894 4.527 0.000 0.000 0.304 142 F C 1.830 177.601 175.800 -0.048 0.000 1.008 142 F CA -0.393 57.593 58.000 -0.022 0.000 1.188 142 F CB -0.621 38.348 39.000 -0.051 0.000 0.980 142 F HN -0.234 nan 8.300 nan 0.000 0.627 143 G N 2.707 111.564 108.800 0.095 0.000 2.321 143 G HA2 0.311 4.271 3.960 0.000 0.000 0.237 143 G HA3 0.311 4.271 3.960 0.000 0.000 0.237 143 G C -0.001 174.914 174.900 0.024 0.000 1.282 143 G CA -0.217 44.900 45.100 0.030 0.000 0.886 143 G HN -0.096 nan 8.290 nan 0.000 0.528 144 R N 1.992 122.505 120.500 0.021 0.000 2.832 144 R HA 0.472 4.812 4.340 0.000 0.000 0.271 144 R C -2.170 174.134 176.300 0.007 0.000 0.996 144 R CA -1.940 54.169 56.100 0.015 0.000 0.977 144 R CB 1.460 31.771 30.300 0.019 0.000 1.168 144 R HN 0.471 nan 8.270 nan 0.000 0.482 145 P HA 0.075 nan 4.420 nan 0.000 0.269 145 P C -0.682 176.619 177.300 0.001 0.000 1.209 145 P CA -0.074 63.028 63.100 0.004 0.000 0.776 145 P CB 0.911 32.612 31.700 0.002 0.000 0.876 146 S N 1.080 116.780 115.700 0.000 0.000 2.737 146 S HA 0.416 4.886 4.470 0.000 0.000 0.269 146 S C -1.052 173.545 174.600 -0.004 0.000 1.150 146 S CA -0.534 57.664 58.200 -0.004 0.000 1.077 146 S CB 0.176 63.372 63.200 -0.007 0.000 1.075 146 S HN 0.675 nan 8.310 nan 0.000 0.476 147 E N 2.972 123.169 120.200 -0.004 0.000 2.398 147 E HA 0.350 4.700 4.350 0.000 0.000 0.280 147 E C -1.519 175.079 176.600 -0.003 0.000 1.122 147 E CA -1.218 55.179 56.400 -0.004 0.000 0.873 147 E CB 0.862 30.561 29.700 -0.002 0.000 1.294 147 E HN 0.471 nan 8.360 nan 0.000 0.435 148 R N 0.728 121.226 120.500 -0.003 0.000 2.598 148 R HA 0.661 5.002 4.340 0.000 0.000 0.279 148 R C -0.315 175.984 176.300 -0.002 0.000 0.984 148 R CA -0.939 55.160 56.100 -0.003 0.000 0.999 148 R CB 1.412 31.710 30.300 -0.003 0.000 1.114 148 R HN 0.406 nan 8.270 nan 0.000 0.493 149 R N 0.130 120.630 120.500 -0.001 0.000 2.502 149 R HA 0.287 4.628 4.340 0.000 0.000 0.300 149 R C 0.047 176.346 176.300 -0.000 0.000 0.984 149 R CA -0.512 55.588 56.100 -0.001 0.000 0.882 149 R CB 2.134 32.434 30.300 -0.000 0.000 1.180 149 R HN 0.827 nan 8.270 nan 0.000 0.444 150 G N 2.990 111.790 108.800 -0.000 0.000 2.647 150 G HA2 0.158 4.118 3.960 0.000 0.000 0.271 150 G HA3 0.158 4.118 3.960 0.000 0.000 0.271 150 G C -1.790 173.110 174.900 0.000 0.000 1.300 150 G CA -0.710 44.390 45.100 -0.000 0.000 0.997 150 G HN 0.387 nan 8.290 nan 0.000 0.533 151 P HA 0.112 nan 4.420 nan 0.000 0.269 151 P C 0.932 178.232 177.300 -0.000 0.000 1.215 151 P CA 0.880 63.980 63.100 0.000 0.000 0.780 151 P CB 0.434 32.134 31.700 0.000 0.000 0.898 152 G N 1.404 110.204 108.800 -0.000 0.000 2.429 152 G HA2 -0.340 3.620 3.960 0.000 0.000 0.314 152 G HA3 -0.340 3.620 3.960 0.000 0.000 0.314 152 G C 0.117 175.016 174.900 -0.001 0.000 0.957 152 G CA 1.056 46.156 45.100 -0.000 0.000 0.806 152 G HN 0.761 nan 8.290 nan 0.000 0.511 153 E N -2.335 117.865 120.200 -0.001 0.000 2.807 153 E HA -0.166 4.184 4.350 0.000 0.000 0.169 153 E C 0.668 177.267 176.600 -0.001 0.000 1.548 153 E CA 0.450 56.850 56.400 -0.001 0.000 0.697 153 E CB -1.092 28.607 29.700 -0.002 0.000 1.106 153 E HN 0.537 nan 8.360 nan 0.000 0.382 154 N N 0.705 119.405 118.700 -0.000 0.000 2.428 154 N HA -0.012 4.728 4.740 0.000 0.000 0.181 154 N C 0.412 175.922 175.510 -0.000 0.000 1.028 154 N CA 0.519 53.569 53.050 -0.000 0.000 0.877 154 N CB 0.338 38.825 38.487 0.000 0.000 1.064 154 N HN 0.262 nan 8.380 nan 0.000 0.434 155 E N 1.136 121.336 120.200 -0.000 0.000 2.313 155 E HA 0.301 4.651 4.350 0.000 0.000 0.272 155 E C -0.949 175.651 176.600 -0.001 0.000 1.038 155 E CA -0.325 56.075 56.400 0.000 0.000 0.863 155 E CB 2.187 31.887 29.700 0.000 0.000 1.060 155 E HN -0.166 nan 8.360 nan 0.000 0.402 156 V N 3.778 123.691 119.914 -0.001 0.000 2.752 156 V HA 0.487 4.607 4.120 0.000 0.000 0.302 156 V C -1.153 174.940 176.094 -0.001 0.000 1.133 156 V CA -0.585 61.714 62.300 -0.002 0.000 0.919 156 V CB 1.766 33.587 31.823 -0.002 0.000 1.026 156 V HN 0.424 nan 8.190 nan 0.000 0.429 157 V N 2.946 122.859 119.914 -0.002 0.000 3.040 157 V HA 0.837 4.957 4.120 0.000 0.000 0.312 157 V C -1.101 174.991 176.094 -0.003 0.000 1.115 157 V CA -0.488 61.811 62.300 -0.001 0.000 0.998 157 V CB 2.356 34.178 31.823 -0.000 0.000 1.042 157 V HN 0.828 nan 8.190 nan 0.000 0.433 158 D N 0.787 121.185 120.400 -0.003 0.000 2.477 158 D HA 0.715 5.355 4.640 0.000 0.000 0.234 158 D C -1.033 175.262 176.300 -0.007 0.000 1.048 158 D CA -0.177 53.820 54.000 -0.005 0.000 0.959 158 D CB 2.625 43.423 40.800 -0.003 0.000 1.408 158 D HN 0.823 nan 8.370 nan 0.000 0.496 159 T N 1.049 115.596 114.554 -0.010 0.000 2.921 159 T HA 0.288 4.638 4.350 0.000 0.000 0.297 159 T C -0.766 173.914 174.700 -0.033 0.000 1.013 159 T CA -0.542 61.549 62.100 -0.015 0.000 0.990 159 T CB 1.432 70.296 68.868 -0.007 0.000 1.023 159 T HN 0.096 nan 8.240 nan 0.000 0.447 160 L N 3.936 125.133 121.223 -0.042 0.000 2.270 160 L HA 0.773 5.113 4.340 0.000 0.000 0.286 160 L C -0.299 176.534 176.870 -0.062 0.000 1.059 160 L CA -0.604 54.189 54.840 -0.078 0.000 0.839 160 L CB -0.440 41.578 42.059 -0.068 0.000 1.221 160 L HN 0.778 nan 8.230 nan 0.000 0.431 161 A N 4.872 127.622 122.820 -0.116 0.000 2.291 161 A HA 0.687 5.007 4.320 0.000 0.000 0.311 161 A C -1.593 175.891 177.584 -0.167 0.000 1.224 161 A CA -0.339 51.650 52.037 -0.079 0.000 0.821 161 A CB 0.411 19.383 19.000 -0.046 0.000 1.172 161 A HN 0.593 nan 8.150 nan 0.000 0.494 162 Y N 0.518 120.827 120.300 0.016 0.000 2.512 162 Y HA 0.625 5.175 4.550 0.000 0.000 0.348 162 Y C 0.886 176.789 175.900 0.006 0.000 0.990 162 Y CA -0.360 57.751 58.100 0.019 0.000 1.033 162 Y CB 2.554 41.041 38.460 0.045 0.000 1.259 162 Y HN 0.817 nan 8.280 nan 0.000 0.461 163 T N -1.309 113.377 114.554 0.219 0.000 2.937 163 T HA 0.368 4.718 4.350 0.000 0.000 0.283 163 T C 0.962 175.693 174.700 0.051 0.000 1.012 163 T CA -0.852 61.303 62.100 0.092 0.000 0.997 163 T CB 1.699 70.589 68.868 0.038 0.000 1.136 163 T HN 0.757 nan 8.240 nan 0.000 0.551 164 R N -0.013 120.489 120.500 0.003 0.000 2.148 164 R HA -0.001 4.339 4.340 0.000 0.000 0.223 164 R C 2.056 178.310 176.300 -0.076 0.000 1.088 164 R CA 1.375 57.452 56.100 -0.039 0.000 0.985 164 R CB -0.199 30.080 30.300 -0.034 0.000 0.880 164 R HN 0.881 nan 8.270 nan 0.000 0.451 165 E N 0.292 120.453 120.200 -0.065 0.000 2.152 165 E HA -0.164 4.186 4.350 0.000 0.000 0.192 165 E C 1.315 177.823 176.600 -0.153 0.000 0.983 165 E CA 1.084 57.425 56.400 -0.099 0.000 0.818 165 E CB 0.222 29.877 29.700 -0.075 0.000 0.758 165 E HN 0.489 nan 8.360 nan 0.000 0.467 166 E N 0.131 120.271 120.200 -0.101 0.000 2.076 166 E HA -0.129 4.221 4.350 0.000 0.000 0.190 166 E C 2.044 178.528 176.600 -0.193 0.000 0.979 166 E CA 0.648 56.983 56.400 -0.107 0.000 0.807 166 E CB 0.130 29.903 29.700 0.122 0.000 0.761 166 E HN 0.296 nan 8.360 nan 0.000 0.454 167 I N 1.346 121.790 120.570 -0.210 0.000 2.286 167 I HA -0.172 3.998 4.170 0.000 0.000 0.245 167 I C 2.094 177.973 176.117 -0.397 0.000 1.104 167 I CA 1.351 62.430 61.300 -0.369 0.000 1.397 167 I CB -1.091 36.715 38.000 -0.323 0.000 1.072 167 I HN 0.122 nan 8.210 nan 0.000 0.417 168 E N 1.074 121.109 120.200 -0.275 0.000 2.106 168 E HA -0.207 4.143 4.350 0.000 0.000 0.192 168 E C 2.321 178.795 176.600 -0.210 0.000 0.984 168 E CA 1.098 57.365 56.400 -0.222 0.000 0.806 168 E CB -0.056 29.552 29.700 -0.153 0.000 0.750 168 E HN 0.557 nan 8.360 nan 0.000 0.458 169 R N 0.534 120.861 120.500 -0.288 0.000 2.090 169 R HA -0.064 4.276 4.340 0.000 0.000 0.228 169 R C 2.251 178.378 176.300 -0.287 0.000 1.110 169 R CA 1.024 56.916 56.100 -0.346 0.000 0.973 169 R CB -0.461 29.428 30.300 -0.685 0.000 0.869 169 R HN 0.096 nan 8.270 nan 0.000 0.440 170 I N 1.416 121.798 120.570 -0.313 0.000 2.406 170 I HA -0.043 4.127 4.170 0.000 0.000 0.249 170 I C 1.975 178.049 176.117 -0.071 0.000 1.122 170 I CA 0.897 62.157 61.300 -0.066 0.000 1.431 170 I CB 0.062 38.052 38.000 -0.016 0.000 1.087 170 I HN 0.172 nan 8.210 nan 0.000 0.424 171 I N 0.063 120.507 120.570 -0.210 0.000 2.546 171 I HA -0.188 3.982 4.170 0.000 0.000 0.255 171 I C 2.244 178.385 176.117 0.041 0.000 1.163 171 I CA 0.956 62.157 61.300 -0.165 0.000 1.457 171 I CB -0.379 37.448 38.000 -0.289 0.000 1.092 171 I HN 0.291 nan 8.210 nan 0.000 0.434 172 E N 0.782 121.001 120.200 0.032 0.000 2.072 172 E HA -0.245 4.105 4.350 0.000 0.000 0.190 172 E C 2.020 178.656 176.600 0.059 0.000 0.982 172 E CA 0.869 57.324 56.400 0.091 0.000 0.803 172 E CB 0.069 29.829 29.700 0.100 0.000 0.755 172 E HN 0.135 nan 8.360 nan 0.000 0.453 173 K N 1.179 121.625 120.400 0.077 0.000 2.152 173 K HA -0.129 4.191 4.320 0.000 0.000 0.206 173 K C 1.715 178.308 176.600 -0.013 0.000 1.048 173 K CA 1.326 57.656 56.287 0.072 0.000 0.933 173 K CB -0.288 32.300 32.500 0.147 0.000 0.721 173 K HN 0.095 nan 8.250 nan 0.000 0.447 174 A N -0.566 122.224 122.820 -0.049 0.000 1.872 174 A HA -0.038 4.282 4.320 0.000 0.000 0.214 174 A C 2.062 179.505 177.584 -0.235 0.000 1.187 174 A CA 1.204 53.156 52.037 -0.140 0.000 0.614 174 A CB -0.790 18.102 19.000 -0.179 0.000 0.826 174 A HN 0.313 nan 8.150 nan 0.000 0.442 175 F N 0.503 120.254 119.950 -0.331 0.000 2.134 175 F HA -0.214 4.313 4.527 0.000 0.000 0.299 175 F C 2.758 178.226 175.800 -0.553 0.000 1.097 175 F CA 1.975 59.626 58.000 -0.582 0.000 1.264 175 F CB -0.447 37.869 39.000 -1.141 0.000 1.001 175 F HN 0.311 nan 8.300 nan 0.000 0.479 176 Q N -0.034 119.623 119.800 -0.238 0.000 2.030 176 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 176 Q C 2.426 178.447 176.000 0.036 0.000 0.986 176 Q CA 1.747 57.551 55.803 0.002 0.000 0.843 176 Q CB -0.664 28.130 28.738 0.093 0.000 0.904 176 Q HN 0.437 nan 8.270 nan 0.000 0.420 177 L N 0.407 121.631 121.223 0.001 0.000 2.021 177 L HA -0.298 4.042 4.340 0.000 0.000 0.215 177 L C 2.359 179.254 176.870 0.041 0.000 1.074 177 L CA 1.606 56.467 54.840 0.035 0.000 0.760 177 L CB -0.610 41.432 42.059 -0.028 0.000 0.889 177 L HN 0.297 nan 8.230 nan 0.000 0.433 178 A N -0.725 122.082 122.820 -0.022 0.000 1.869 178 A HA -0.318 4.002 4.320 0.000 0.000 0.218 178 A C 2.025 179.637 177.584 0.048 0.000 1.203 178 A CA 1.978 54.009 52.037 -0.010 0.000 0.638 178 A CB -0.762 18.198 19.000 -0.067 0.000 0.831 178 A HN 0.600 nan 8.150 nan 0.000 0.450 179 Q N -0.103 119.743 119.800 0.077 0.000 2.028 179 Q HA -0.248 4.092 4.340 0.000 0.000 0.213 179 Q C 1.938 177.994 176.000 0.094 0.000 1.017 179 Q CA 2.145 58.017 55.803 0.116 0.000 0.875 179 Q CB -0.840 27.999 28.738 0.168 0.000 0.962 179 Q HN 0.972 nan 8.270 nan 0.000 0.413 180 I N -1.958 118.672 120.570 0.099 0.000 3.609 180 I HA 0.094 4.264 4.170 0.000 0.000 0.305 180 I C 0.837 176.999 176.117 0.074 0.000 1.239 180 I CA 0.171 61.524 61.300 0.087 0.000 1.191 180 I CB -0.058 38.003 38.000 0.101 0.000 1.020 180 I HN -0.011 nan 8.210 nan 0.000 0.471 181 R N 0.466 121.006 120.500 0.067 0.000 3.404 181 R HA 0.492 4.832 4.340 0.000 0.000 0.243 181 R C 0.240 176.567 176.300 0.044 0.000 1.474 181 R CA -1.040 55.093 56.100 0.055 0.000 1.018 181 R CB 0.584 30.921 30.300 0.062 0.000 1.568 181 R HN -0.001 nan 8.270 nan 0.000 0.498 182 R N 1.597 122.119 120.500 0.037 0.000 2.386 182 R HA 0.058 4.398 4.340 0.000 0.000 0.216 182 R C -0.545 175.774 176.300 0.032 0.000 1.119 182 R CA 0.327 56.445 56.100 0.030 0.000 1.158 182 R CB -0.415 29.899 30.300 0.023 0.000 1.057 182 R HN 0.342 nan 8.270 nan 0.000 0.489 183 K N 1.032 121.456 120.400 0.039 0.000 3.490 183 K HA -0.240 4.080 4.320 0.000 0.000 0.273 183 K C -0.534 176.087 176.600 0.033 0.000 0.916 183 K CA 0.909 57.224 56.287 0.046 0.000 0.718 183 K CB -0.888 31.648 32.500 0.060 0.000 1.477 183 K HN 0.203 nan 8.250 nan 0.000 0.452 184 K N 1.344 121.751 120.400 0.012 0.000 2.581 184 K HA 0.414 4.734 4.320 0.000 0.000 0.249 184 K C -1.857 174.721 176.600 -0.036 0.000 0.966 184 K CA -0.871 55.416 56.287 -0.000 0.000 0.811 184 K CB 1.088 33.595 32.500 0.012 0.000 1.223 184 K HN 0.112 nan 8.250 nan 0.000 0.438 185 L N 3.271 124.441 121.223 -0.088 0.000 2.362 185 L HA 0.758 5.098 4.340 0.000 0.000 0.275 185 L C -1.460 175.338 176.870 -0.120 0.000 0.998 185 L CA -0.230 54.505 54.840 -0.175 0.000 0.820 185 L CB 1.890 43.675 42.059 -0.456 0.000 1.270 185 L HN 0.699 nan 8.230 nan 0.000 0.415 186 A N 3.181 125.968 122.820 -0.055 0.000 2.293 186 A HA 0.628 4.948 4.320 0.000 0.000 0.312 186 A C -0.430 177.168 177.584 0.023 0.000 1.309 186 A CA -0.378 51.667 52.037 0.014 0.000 0.839 186 A CB 0.811 19.889 19.000 0.131 0.000 1.155 186 A HN 0.703 nan 8.150 nan 0.000 0.501 187 S N 2.409 118.163 115.700 0.090 0.000 2.499 187 S HA 0.474 4.944 4.470 0.000 0.000 0.275 187 S C -0.248 174.483 174.600 0.219 0.000 1.257 187 S CA -0.275 58.081 58.200 0.260 0.000 1.050 187 S CB 0.106 63.580 63.200 0.456 0.000 0.937 187 S HN 0.706 nan 8.310 nan 0.000 0.490 188 V N 6.189 126.168 119.914 0.110 0.000 2.398 188 V HA 0.539 4.659 4.120 0.000 0.000 0.286 188 V C -0.141 175.855 176.094 -0.164 0.000 1.026 188 V CA -0.535 61.739 62.300 -0.044 0.000 0.868 188 V CB 1.118 32.870 31.823 -0.118 0.000 0.982 188 V HN 1.056 nan 8.190 nan 0.000 0.443 189 D N 3.905 124.215 120.400 -0.149 0.000 3.455 189 D HA 0.528 5.168 4.640 0.000 0.000 0.320 189 D C -0.385 175.874 176.300 -0.068 0.000 1.401 189 D CA -0.765 53.170 54.000 -0.108 0.000 0.982 189 D CB 1.180 41.870 40.800 -0.184 0.000 1.397 189 D HN 0.214 nan 8.370 nan 0.000 0.607 190 K N -1.233 119.188 120.400 0.035 0.000 3.307 190 K HA 0.606 4.926 4.320 0.000 0.000 0.188 190 K C 0.589 177.203 176.600 0.025 0.000 1.063 190 K CA 0.323 56.623 56.287 0.021 0.000 0.949 190 K CB 0.258 32.827 32.500 0.116 0.000 0.707 190 K HN 0.490 nan 8.250 nan 0.000 0.441 191 A N 0.780 123.605 122.820 0.008 0.000 2.009 191 A HA -0.306 4.014 4.320 0.000 0.000 0.222 191 A C 1.456 179.044 177.584 0.007 0.000 1.175 191 A CA 2.320 54.362 52.037 0.008 0.000 0.651 191 A CB -0.935 18.053 19.000 -0.019 0.000 0.815 191 A HN 0.777 nan 8.150 nan 0.000 0.459 192 N N -1.720 116.983 118.700 0.004 0.000 2.515 192 N HA 0.103 4.843 4.740 0.000 0.000 0.185 192 N C 0.715 176.231 175.510 0.011 0.000 1.109 192 N CA 1.107 54.160 53.050 0.005 0.000 0.903 192 N CB 0.326 38.814 38.487 0.001 0.000 0.969 192 N HN 0.260 nan 8.380 nan 0.000 0.450 193 V N -0.661 119.264 119.914 0.018 0.000 3.261 193 V HA 0.200 4.320 4.120 0.000 0.000 0.212 193 V C 0.543 176.653 176.094 0.028 0.000 1.381 193 V CA -0.260 62.053 62.300 0.022 0.000 1.322 193 V CB 0.106 31.943 31.823 0.023 0.000 1.188 193 V HN 0.116 nan 8.190 nan 0.000 0.520 194 L N 1.827 123.073 121.223 0.038 0.000 2.367 194 L HA 0.266 4.607 4.340 0.000 0.000 0.275 194 L C 1.596 178.488 176.870 0.036 0.000 1.129 194 L CA 0.153 55.015 54.840 0.037 0.000 0.839 194 L CB 1.111 43.195 42.059 0.042 0.000 1.133 194 L HN 0.273 nan 8.230 nan 0.000 0.453 195 E N 1.623 121.844 120.200 0.034 0.000 2.106 195 E HA -0.160 4.190 4.350 0.000 0.000 0.192 195 E C 1.950 178.584 176.600 0.056 0.000 0.984 195 E CA 1.626 58.050 56.400 0.039 0.000 0.806 195 E CB 0.171 29.891 29.700 0.034 0.000 0.750 195 E HN 0.728 nan 8.360 nan 0.000 0.458 196 S N -0.588 115.150 115.700 0.063 0.000 2.359 196 S HA -0.180 4.290 4.470 0.000 0.000 0.224 196 S C 2.260 176.927 174.600 0.111 0.000 1.035 196 S CA 1.401 59.659 58.200 0.097 0.000 1.018 196 S CB -0.677 62.588 63.200 0.108 0.000 0.876 196 S HN 0.180 nan 8.310 nan 0.000 0.448 197 S N 1.584 117.324 115.700 0.067 0.000 2.356 197 S HA -0.007 4.463 4.470 0.000 0.000 0.223 197 S C 2.037 176.711 174.600 0.122 0.000 1.032 197 S CA 0.787 59.029 58.200 0.071 0.000 1.005 197 S CB -0.421 62.798 63.200 0.032 0.000 0.867 197 S HN 0.394 nan 8.310 nan 0.000 0.449 198 R N 0.690 121.235 120.500 0.075 0.000 2.117 198 R HA -0.079 4.261 4.340 0.000 0.000 0.243 198 R C 2.281 178.622 176.300 0.068 0.000 1.143 198 R CA 1.426 57.558 56.100 0.054 0.000 0.968 198 R CB -0.465 29.857 30.300 0.036 0.000 0.863 198 R HN 0.469 nan 8.270 nan 0.000 0.444 199 M N -0.614 119.040 119.600 0.090 0.000 2.248 199 M HA -0.138 4.342 4.480 0.000 0.000 0.265 199 M C 2.064 178.421 176.300 0.096 0.000 1.079 199 M CA 1.211 56.554 55.300 0.072 0.000 1.150 199 M CB -0.440 32.197 32.600 0.062 0.000 1.366 199 M HN 0.241 nan 8.290 nan 0.000 0.433 200 W N 1.963 123.228 121.300 -0.060 0.000 2.302 200 W HA -0.303 4.357 4.660 0.000 0.000 0.320 200 W C 2.178 178.675 176.519 -0.038 0.000 1.241 200 W CA 2.232 59.532 57.345 -0.075 0.000 1.264 200 W CB -0.851 28.551 29.460 -0.097 0.000 1.154 200 W HN 0.325 nan 8.180 nan 0.000 0.483 201 R N 0.675 121.366 120.500 0.319 0.000 2.096 201 R HA -0.184 4.156 4.340 0.000 0.000 0.235 201 R C 2.328 178.639 176.300 0.018 0.000 1.127 201 R CA 2.189 58.365 56.100 0.127 0.000 0.968 201 R CB -0.435 29.834 30.300 -0.051 0.000 0.861 201 R HN 0.263 nan 8.270 nan 0.000 0.440 202 E N 0.356 120.564 120.200 0.014 0.000 2.031 202 E HA -0.199 4.151 4.350 0.000 0.000 0.193 202 E C 2.032 178.627 176.600 -0.008 0.000 0.994 202 E CA 1.254 57.657 56.400 0.005 0.000 0.800 202 E CB -0.106 29.595 29.700 0.002 0.000 0.752 202 E HN 0.306 nan 8.360 nan 0.000 0.447 203 I N 1.465 122.002 120.570 -0.054 0.000 2.248 203 I HA -0.272 3.898 4.170 0.000 0.000 0.248 203 I C 2.528 178.597 176.117 -0.080 0.000 1.107 203 I CA 1.289 62.527 61.300 -0.104 0.000 1.373 203 I CB -1.505 36.373 38.000 -0.203 0.000 1.055 203 I HN 0.039 nan 8.210 nan 0.000 0.418 204 A N 0.174 122.960 122.820 -0.056 0.000 1.933 204 A HA -0.225 4.095 4.320 0.000 0.000 0.218 204 A C 2.272 179.983 177.584 0.212 0.000 1.175 204 A CA 1.733 53.840 52.037 0.117 0.000 0.628 204 A CB -0.496 18.643 19.000 0.233 0.000 0.814 204 A HN 0.344 nan 8.150 nan 0.000 0.444 205 E N 0.426 120.728 120.200 0.171 0.000 2.051 205 E HA -0.076 4.274 4.350 0.000 0.000 0.192 205 E C 1.171 177.797 176.600 0.043 0.000 0.991 205 E CA 0.985 57.474 56.400 0.148 0.000 0.799 205 E CB -0.099 29.674 29.700 0.123 0.000 0.748 205 E HN 0.739 nan 8.360 nan 0.000 0.449 206 E N -1.771 118.428 120.200 -0.001 0.000 2.369 206 E HA 0.052 4.402 4.350 0.000 0.000 0.255 206 E C -0.008 176.526 176.600 -0.110 0.000 1.172 206 E CA 0.829 57.199 56.400 -0.050 0.000 0.932 206 E CB 0.550 30.222 29.700 -0.047 0.000 1.040 206 E HN 0.137 nan 8.360 nan 0.000 0.454 207 T N -0.203 114.259 114.554 -0.155 0.000 11.087 207 T HA -0.313 4.037 4.350 0.000 0.000 0.385 207 T C 1.054 175.429 174.700 -0.542 0.000 1.679 207 T CA 1.348 63.299 62.100 -0.249 0.000 2.690 207 T CB -1.377 67.353 68.868 -0.230 0.000 2.619 207 T HN 0.623 nan 8.240 nan 0.000 0.900 208 A N 1.182 123.705 122.820 -0.496 0.000 2.021 208 A HA 0.079 4.400 4.320 0.000 0.000 0.216 208 A C 1.895 179.366 177.584 -0.188 0.000 1.163 208 A CA 1.601 53.336 52.037 -0.505 0.000 0.676 208 A CB -0.308 18.672 19.000 -0.034 0.000 0.818 208 A HN 0.731 nan 8.150 nan 0.000 0.453 209 K N -0.138 120.182 120.400 -0.133 0.000 2.486 209 K HA 0.001 4.322 4.320 0.000 0.000 0.194 209 K C 1.578 178.109 176.600 -0.115 0.000 1.033 209 K CA 0.777 57.014 56.287 -0.082 0.000 1.004 209 K CB 0.056 32.518 32.500 -0.063 0.000 0.798 209 K HN 0.204 nan 8.250 nan 0.000 0.495 210 K N 0.879 121.174 120.400 -0.176 0.000 2.262 210 K HA -0.023 4.297 4.320 0.000 0.000 0.200 210 K C -0.120 176.228 176.600 -0.420 0.000 1.049 210 K CA 0.800 56.900 56.287 -0.312 0.000 0.979 210 K CB 0.368 32.624 32.500 -0.406 0.000 0.773 210 K HN 0.183 nan 8.250 nan 0.000 0.474 211 Y N 1.412 121.597 120.300 -0.192 0.000 2.557 211 Y HA 0.288 4.838 4.550 0.000 0.000 0.352 211 Y C -1.840 174.055 175.900 -0.008 0.000 0.918 211 Y CA -2.158 55.901 58.100 -0.069 0.000 1.232 211 Y CB 0.983 39.444 38.460 0.002 0.000 1.235 211 Y HN 0.053 nan 8.280 nan 0.000 0.596 212 P HA -0.187 nan 4.420 nan 0.000 0.227 212 P C 0.201 177.553 177.300 0.086 0.000 1.145 212 P CA 1.471 64.612 63.100 0.068 0.000 0.769 212 P CB 0.189 31.901 31.700 0.020 0.000 0.769 213 D N -1.021 119.444 120.400 0.109 0.000 2.460 213 D HA 0.147 4.787 4.640 0.000 0.000 0.229 213 D C -0.055 176.313 176.300 0.114 0.000 1.170 213 D CA -0.723 53.333 54.000 0.093 0.000 0.827 213 D CB -0.354 40.492 40.800 0.078 0.000 0.973 213 D HN -0.047 nan 8.370 nan 0.000 0.496 214 V N 0.314 120.317 119.914 0.149 0.000 2.656 214 V HA 0.262 4.382 4.120 0.000 0.000 0.307 214 V C -0.157 176.012 176.094 0.125 0.000 1.051 214 V CA -1.138 61.250 62.300 0.147 0.000 0.893 214 V CB 2.178 34.138 31.823 0.228 0.000 0.999 214 V HN 0.184 nan 8.190 nan 0.000 0.426 215 E N 3.885 124.127 120.200 0.070 0.000 2.194 215 E HA 0.320 4.670 4.350 0.000 0.000 0.284 215 E C -1.542 175.072 176.600 0.023 0.000 1.035 215 E CA -0.624 55.803 56.400 0.045 0.000 0.836 215 E CB 1.556 31.268 29.700 0.020 0.000 1.070 215 E HN 0.530 nan 8.360 nan 0.000 0.401 216 L N 4.825 126.063 121.223 0.024 0.000 2.295 216 L HA 0.305 4.645 4.340 0.000 0.000 0.281 216 L C -1.127 175.650 176.870 -0.155 0.000 1.018 216 L CA -0.317 54.497 54.840 -0.042 0.000 0.841 216 L CB 1.093 43.193 42.059 0.068 0.000 1.218 216 L HN 0.423 nan 8.230 nan 0.000 0.424 217 S N 3.070 118.679 115.700 -0.151 0.000 2.454 217 S HA 0.628 5.098 4.470 0.000 0.000 0.306 217 S C -0.312 174.199 174.600 -0.148 0.000 1.100 217 S CA -0.832 57.279 58.200 -0.147 0.000 1.087 217 S CB 1.056 64.236 63.200 -0.034 0.000 1.019 217 S HN 0.583 nan 8.310 nan 0.000 0.480 218 H N 2.091 121.205 119.070 0.073 0.000 2.505 218 H HA 0.560 5.116 4.556 0.000 0.000 0.351 218 H C -0.285 175.079 175.328 0.060 0.000 1.151 218 H CA -0.484 55.611 56.048 0.079 0.000 1.339 218 H CB 0.968 30.780 29.762 0.084 0.000 1.483 218 H HN 0.545 nan 8.280 nan 0.000 0.558 219 M N 2.177 121.887 119.600 0.183 0.000 2.365 219 M HA 0.210 4.690 4.480 0.000 0.000 0.287 219 M C -1.075 175.228 176.300 0.005 0.000 1.154 219 M CA -0.573 54.778 55.300 0.085 0.000 0.941 219 M CB 2.756 35.406 32.600 0.083 0.000 1.704 219 M HN 0.226 nan 8.290 nan 0.000 0.479 220 L N 2.574 123.779 121.223 -0.031 0.000 2.319 220 L HA 0.175 4.515 4.340 0.000 0.000 0.280 220 L C 1.454 178.206 176.870 -0.197 0.000 1.099 220 L CA -0.218 54.556 54.840 -0.110 0.000 0.828 220 L CB 1.313 43.324 42.059 -0.079 0.000 1.150 220 L HN 0.683 nan 8.230 nan 0.000 0.442 221 V N 3.693 123.375 119.914 -0.387 0.000 2.311 221 V HA -0.350 3.770 4.120 0.000 0.000 0.256 221 V C 2.090 177.984 176.094 -0.333 0.000 1.077 221 V CA 2.788 64.765 62.300 -0.539 0.000 1.067 221 V CB -0.349 30.729 31.823 -1.242 0.000 0.659 221 V HN 1.105 nan 8.190 nan 0.000 0.451 222 D N -1.404 118.841 120.400 -0.258 0.000 2.269 222 D HA -0.132 4.508 4.640 0.000 0.000 0.208 222 D C 2.168 178.413 176.300 -0.092 0.000 0.963 222 D CA 1.378 55.287 54.000 -0.152 0.000 0.864 222 D CB -0.171 40.560 40.800 -0.115 0.000 0.936 222 D HN 0.546 nan 8.370 nan 0.000 0.505 223 S N 0.009 115.661 115.700 -0.080 0.000 2.406 223 S HA -0.080 4.391 4.470 0.000 0.000 0.224 223 S C 1.879 176.480 174.600 0.002 0.000 1.030 223 S CA 1.299 59.482 58.200 -0.028 0.000 0.958 223 S CB -0.406 62.786 63.200 -0.014 0.000 0.811 223 S HN 0.318 nan 8.310 nan 0.000 0.489 224 T N 2.362 116.899 114.554 -0.027 0.000 2.746 224 T HA -0.018 4.332 4.350 0.000 0.000 0.267 224 T C 2.084 176.781 174.700 -0.005 0.000 1.039 224 T CA 1.302 63.403 62.100 0.002 0.000 1.142 224 T CB -0.816 67.979 68.868 -0.122 0.000 0.866 224 T HN 0.507 nan 8.240 nan 0.000 0.444 225 A N 1.884 124.669 122.820 -0.058 0.000 1.873 225 A HA -0.171 4.149 4.320 0.000 0.000 0.218 225 A C 2.398 179.984 177.584 0.003 0.000 1.193 225 A CA 2.018 54.029 52.037 -0.043 0.000 0.629 225 A CB -0.856 18.106 19.000 -0.063 0.000 0.826 225 A HN 0.472 nan 8.150 nan 0.000 0.447 226 M N -1.053 118.552 119.600 0.008 0.000 2.065 226 M HA -0.225 4.255 4.480 0.000 0.000 0.259 226 M C 2.422 178.754 176.300 0.054 0.000 1.069 226 M CA 1.645 56.958 55.300 0.021 0.000 1.110 226 M CB -0.554 32.052 32.600 0.011 0.000 1.328 226 M HN 0.383 nan 8.290 nan 0.000 0.405 227 Q N 0.365 120.221 119.800 0.094 0.000 2.181 227 Q HA -0.109 4.231 4.340 0.000 0.000 0.205 227 Q C 2.021 178.164 176.000 0.238 0.000 0.980 227 Q CA 1.381 57.272 55.803 0.146 0.000 0.862 227 Q CB -0.670 28.201 28.738 0.222 0.000 0.905 227 Q HN 0.581 nan 8.270 nan 0.000 0.429 228 L N -0.178 121.197 121.223 0.253 0.000 2.456 228 L HA -0.096 4.244 4.340 0.000 0.000 0.224 228 L C 1.853 178.796 176.870 0.122 0.000 1.148 228 L CA 0.515 55.492 54.840 0.229 0.000 0.825 228 L CB -0.049 42.051 42.059 0.068 0.000 0.937 228 L HN 0.179 nan 8.230 nan 0.000 0.450 229 I N -2.025 118.595 120.570 0.083 0.000 3.194 229 I HA 0.015 4.185 4.170 0.000 0.000 0.271 229 I C 2.561 178.700 176.117 0.036 0.000 1.150 229 I CA 0.663 61.991 61.300 0.047 0.000 1.440 229 I CB -0.310 37.708 38.000 0.030 0.000 1.276 229 I HN 0.027 nan 8.210 nan 0.000 0.457 230 A N 0.849 123.687 122.820 0.031 0.000 1.858 230 A HA -0.175 4.146 4.320 0.000 0.000 0.216 230 A C 1.212 178.793 177.584 -0.006 0.000 1.190 230 A CA 2.226 54.269 52.037 0.009 0.000 0.617 230 A CB -0.367 18.635 19.000 0.003 0.000 0.827 230 A HN 0.499 nan 8.150 nan 0.000 0.443 231 N N -1.808 116.884 118.700 -0.013 0.000 2.824 231 N HA 0.177 4.918 4.740 0.000 0.000 0.224 231 N C -2.428 173.023 175.510 -0.099 0.000 1.418 231 N CA -1.132 51.881 53.050 -0.061 0.000 0.743 231 N CB 1.168 39.592 38.487 -0.105 0.000 1.395 231 N HN -0.005 nan 8.380 nan 0.000 0.548 232 P HA 0.045 nan 4.420 nan 0.000 0.223 232 P C 1.293 178.640 177.300 0.078 0.000 1.151 232 P CA 0.659 63.876 63.100 0.194 0.000 0.787 232 P CB 0.118 31.936 31.700 0.197 0.000 0.788 233 G N 1.140 109.926 108.800 -0.022 0.000 2.586 233 G HA2 -0.227 3.733 3.960 0.000 0.000 0.215 233 G HA3 -0.227 3.733 3.960 0.000 0.000 0.215 233 G C 1.474 176.309 174.900 -0.109 0.000 1.128 233 G CA 0.371 45.448 45.100 -0.038 0.000 0.774 233 G HN 0.509 nan 8.290 nan 0.000 0.543 234 Q N -0.992 118.642 119.800 -0.277 0.000 2.425 234 Q HA 0.232 4.572 4.340 0.000 0.000 0.204 234 Q C -0.189 175.567 176.000 -0.408 0.000 0.933 234 Q CA -0.164 55.407 55.803 -0.386 0.000 0.939 234 Q CB -0.012 28.389 28.738 -0.560 0.000 1.044 234 Q HN 0.269 nan 8.270 nan 0.000 0.513 235 F N 0.837 120.775 119.950 -0.020 0.000 2.397 235 F HA 0.304 4.831 4.527 0.000 0.000 0.331 235 F C 0.724 176.512 175.800 -0.021 0.000 1.090 235 F CA -1.247 56.740 58.000 -0.022 0.000 1.065 235 F CB 1.562 40.549 39.000 -0.021 0.000 1.184 235 F HN -0.045 nan 8.300 nan 0.000 0.499 236 D N 0.573 121.089 120.400 0.193 0.000 3.061 236 D HA 0.183 4.823 4.640 0.000 0.000 0.243 236 D C -0.765 175.580 176.300 0.075 0.000 1.572 236 D CA 0.778 54.834 54.000 0.094 0.000 1.269 236 D CB 0.447 41.279 40.800 0.055 0.000 1.023 236 D HN 0.119 nan 8.370 nan 0.000 0.280 237 V N 1.716 121.655 119.914 0.042 0.000 2.540 237 V HA 0.477 4.597 4.120 0.000 0.000 0.302 237 V C -0.191 175.879 176.094 -0.040 0.000 1.035 237 V CA -0.663 61.630 62.300 -0.012 0.000 0.873 237 V CB 1.961 33.752 31.823 -0.052 0.000 0.992 237 V HN 0.178 nan 8.190 nan 0.000 0.428 238 I N 4.353 124.877 120.570 -0.076 0.000 2.465 238 I HA 0.613 4.783 4.170 0.000 0.000 0.291 238 I C -0.920 175.162 176.117 -0.059 0.000 1.014 238 I CA -0.865 60.371 61.300 -0.107 0.000 1.093 238 I CB 2.208 40.066 38.000 -0.237 0.000 1.267 238 I HN 0.395 nan 8.210 nan 0.000 0.431 239 V N 5.884 125.798 119.914 -0.001 0.000 2.577 239 V HA 0.731 4.851 4.120 0.000 0.000 0.303 239 V C -0.699 175.536 176.094 0.234 0.000 1.042 239 V CA 0.196 62.559 62.300 0.105 0.000 0.872 239 V CB 2.010 33.889 31.823 0.093 0.000 0.998 239 V HN 0.880 nan 8.190 nan 0.000 0.423 240 T N 3.596 118.252 114.554 0.170 0.000 2.787 240 T HA 0.519 4.869 4.350 0.000 0.000 0.297 240 T C -0.432 174.174 174.700 -0.157 0.000 1.221 240 T CA 0.063 62.122 62.100 -0.069 0.000 1.006 240 T CB 1.891 70.734 68.868 -0.042 0.000 1.328 240 T HN 1.043 nan 8.240 nan 0.000 0.509 241 E N 1.518 121.401 120.200 -0.529 0.000 2.421 241 E HA 0.261 4.611 4.350 0.000 0.000 0.253 241 E C 0.998 177.531 176.600 -0.113 0.000 1.277 241 E CA -0.467 55.735 56.400 -0.329 0.000 0.968 241 E CB 0.294 29.685 29.700 -0.516 0.000 1.040 241 E HN 0.542 nan 8.360 nan 0.000 0.512 242 N N -0.110 118.590 118.700 0.002 0.000 1.997 242 N HA -0.280 4.460 4.740 0.000 0.000 0.198 242 N C 1.620 176.933 175.510 -0.327 0.000 1.063 242 N CA 2.294 55.288 53.050 -0.093 0.000 0.860 242 N CB -0.336 38.082 38.487 -0.115 0.000 1.063 242 N HN 0.669 nan 8.380 nan 0.000 0.424 243 M N -0.223 118.995 119.600 -0.637 0.000 2.163 243 M HA -0.132 4.348 4.480 0.000 0.000 0.258 243 M C 1.678 177.884 176.300 -0.156 0.000 1.071 243 M CA 1.628 56.542 55.300 -0.642 0.000 1.093 243 M CB -1.033 31.180 32.600 -0.645 0.000 1.285 243 M HN 0.228 nan 8.290 nan 0.000 0.420 244 F N 0.109 119.941 119.950 -0.197 0.000 2.065 244 F HA -0.049 4.478 4.527 0.000 0.000 0.298 244 F C 2.565 178.296 175.800 -0.115 0.000 1.112 244 F CA 1.381 59.289 58.000 -0.154 0.000 1.212 244 F CB -2.124 36.754 39.000 -0.203 0.000 0.975 244 F HN 0.335 nan 8.300 nan 0.000 0.476 245 G N -0.988 107.867 108.800 0.092 0.000 2.527 245 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 245 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 245 G C 1.492 176.419 174.900 0.046 0.000 1.117 245 G CA 1.000 46.126 45.100 0.043 0.000 0.759 245 G HN 0.384 nan 8.290 nan 0.000 0.556 246 D N 0.622 121.058 120.400 0.061 0.000 2.110 246 D HA -0.070 4.570 4.640 0.000 0.000 0.202 246 D C 2.400 178.746 176.300 0.077 0.000 0.975 246 D CA 0.465 54.524 54.000 0.098 0.000 0.839 246 D CB 0.056 40.968 40.800 0.186 0.000 0.996 246 D HN 0.221 nan 8.370 nan 0.000 0.464 247 I N 1.182 121.799 120.570 0.077 0.000 2.163 247 I HA -0.198 3.973 4.170 0.000 0.000 0.240 247 I C 2.656 178.783 176.117 0.018 0.000 1.081 247 I CA 0.695 62.025 61.300 0.051 0.000 1.353 247 I CB -0.516 37.515 38.000 0.053 0.000 1.054 247 I HN 0.057 nan 8.210 nan 0.000 0.407 248 L N -0.514 120.710 121.223 0.002 0.000 2.079 248 L HA -0.232 4.108 4.340 0.000 0.000 0.210 248 L C 2.522 179.372 176.870 -0.033 0.000 1.081 248 L CA 1.246 56.062 54.840 -0.039 0.000 0.752 248 L CB -0.576 41.438 42.059 -0.074 0.000 0.896 248 L HN 0.215 nan 8.230 nan 0.000 0.433 249 S N -0.551 115.143 115.700 -0.010 0.000 2.383 249 S HA -0.176 4.294 4.470 0.000 0.000 0.227 249 S C 1.462 176.065 174.600 0.004 0.000 1.026 249 S CA 1.318 59.514 58.200 -0.006 0.000 0.981 249 S CB -0.185 63.021 63.200 0.010 0.000 0.818 249 S HN 0.419 nan 8.310 nan 0.000 0.472 250 D N 0.786 121.194 120.400 0.014 0.000 2.183 250 D HA 0.014 4.654 4.640 0.000 0.000 0.203 250 D C 1.755 178.062 176.300 0.011 0.000 0.969 250 D CA 0.210 54.221 54.000 0.018 0.000 0.842 250 D CB -0.148 40.667 40.800 0.025 0.000 0.957 250 D HN 0.138 nan 8.370 nan 0.000 0.484 251 L N 0.801 122.025 121.223 0.002 0.000 1.988 251 L HA -0.006 4.334 4.340 0.000 0.000 0.207 251 L C 2.062 178.931 176.870 -0.001 0.000 1.071 251 L CA 1.889 56.727 54.840 -0.002 0.000 0.744 251 L CB -1.115 40.934 42.059 -0.016 0.000 0.893 251 L HN 0.007 nan 8.230 nan 0.000 0.433 252 A N -1.125 121.688 122.820 -0.012 0.000 1.917 252 A HA -0.245 4.075 4.320 0.000 0.000 0.219 252 A C 2.342 179.933 177.584 0.012 0.000 1.182 252 A CA 2.165 54.198 52.037 -0.006 0.000 0.633 252 A CB -1.133 17.850 19.000 -0.028 0.000 0.819 252 A HN 0.589 nan 8.150 nan 0.000 0.448 253 S N -0.335 115.374 115.700 0.015 0.000 2.378 253 S HA -0.281 4.190 4.470 0.000 0.000 0.229 253 S C 2.051 176.670 174.600 0.032 0.000 1.052 253 S CA 2.221 60.438 58.200 0.027 0.000 1.084 253 S CB -1.269 61.948 63.200 0.029 0.000 0.950 253 S HN 1.080 nan 8.310 nan 0.000 0.440 254 V N 2.391 122.321 119.914 0.027 0.000 2.332 254 V HA -0.108 4.013 4.120 0.000 0.000 0.248 254 V C 1.777 177.889 176.094 0.030 0.000 1.055 254 V CA 1.731 64.048 62.300 0.028 0.000 1.038 254 V CB -1.443 30.393 31.823 0.023 0.000 0.651 254 V HN 0.704 nan 8.190 nan 0.000 0.450 255 I N 1.295 121.881 120.570 0.028 0.000 3.264 255 I HA 0.098 4.269 4.170 0.000 0.000 0.310 255 I C 0.877 177.013 176.117 0.031 0.000 1.072 255 I CA 1.213 62.530 61.300 0.030 0.000 1.422 255 I CB -1.434 36.586 38.000 0.033 0.000 1.068 255 I HN 0.627 nan 8.210 nan 0.000 0.635 256 T N -4.322 110.254 114.554 0.037 0.000 3.285 256 T HA 0.226 4.576 4.350 0.000 0.000 0.263 256 T C 1.407 176.141 174.700 0.056 0.000 0.836 256 T CA 0.335 62.462 62.100 0.045 0.000 0.849 256 T CB -0.120 68.778 68.868 0.049 0.000 1.252 256 T HN 0.660 nan 8.240 nan 0.000 0.617 257 G N 1.904 110.735 108.800 0.052 0.000 2.196 257 G HA2 -0.369 3.592 3.960 0.000 0.000 0.268 257 G HA3 -0.369 3.592 3.960 0.000 0.000 0.268 257 G C 1.222 176.163 174.900 0.068 0.000 0.975 257 G CA 1.339 46.470 45.100 0.052 0.000 0.648 257 G HN 1.620 nan 8.290 nan 0.000 0.538 258 S N -0.564 115.189 115.700 0.088 0.000 2.507 258 S HA 0.217 4.688 4.470 0.000 0.000 0.235 258 S C 1.341 176.008 174.600 0.111 0.000 0.988 258 S CA 0.931 59.206 58.200 0.125 0.000 0.944 258 S CB -0.010 63.294 63.200 0.173 0.000 0.762 258 S HN 1.680 nan 8.310 nan 0.000 0.526 259 L N 2.370 123.646 121.223 0.089 0.000 2.593 259 L HA 0.441 4.781 4.340 0.000 0.000 0.287 259 L C 1.134 178.062 176.870 0.097 0.000 1.243 259 L CA 1.426 56.320 54.840 0.089 0.000 0.890 259 L CB -0.565 41.536 42.059 0.069 0.000 1.134 259 L HN 0.507 nan 8.230 nan 0.000 0.502 260 G N 3.577 112.458 108.800 0.135 0.000 2.316 260 G HA2 -0.215 3.745 3.960 0.000 0.000 0.203 260 G HA3 -0.215 3.745 3.960 0.000 0.000 0.203 260 G C 0.438 175.464 174.900 0.212 0.000 0.999 260 G CA 0.278 45.467 45.100 0.148 0.000 0.649 260 G HN 1.202 nan 8.290 nan 0.000 0.489 261 M N 0.009 119.710 119.600 0.167 0.000 2.848 261 M HA 0.662 5.142 4.480 0.000 0.000 0.420 261 M C -0.431 175.960 176.300 0.152 0.000 1.304 261 M CA -0.302 55.092 55.300 0.156 0.000 0.844 261 M CB 0.423 33.080 32.600 0.096 0.000 1.451 261 M HN -0.018 nan 8.290 nan 0.000 0.511 262 L N 4.012 125.316 121.223 0.135 0.000 2.289 262 L HA 0.669 5.009 4.340 0.000 0.000 0.285 262 L C -2.283 174.631 176.870 0.073 0.000 1.049 262 L CA -1.644 53.260 54.840 0.107 0.000 0.804 262 L CB 1.332 43.443 42.059 0.086 0.000 1.195 262 L HN 0.099 nan 8.230 nan 0.000 0.428 263 P HA 0.454 nan 4.420 nan 0.000 0.286 263 P C -1.421 175.920 177.300 0.068 0.000 1.292 263 P CA -0.583 62.561 63.100 0.074 0.000 0.842 263 P CB 2.156 33.922 31.700 0.110 0.000 1.207 264 S N -1.813 113.930 115.700 0.072 0.000 2.547 264 S HA 0.804 5.274 4.470 0.000 0.000 0.270 264 S C -1.459 173.156 174.600 0.024 0.000 1.150 264 S CA -0.864 57.357 58.200 0.035 0.000 0.850 264 S CB 1.230 64.426 63.200 -0.007 0.000 1.118 264 S HN 0.672 nan 8.310 nan 0.000 0.461 265 A N 1.075 123.851 122.820 -0.074 0.000 2.398 265 A HA 0.830 5.150 4.320 0.000 0.000 0.301 265 A C -0.544 176.829 177.584 -0.352 0.000 1.041 265 A CA -0.721 51.133 52.037 -0.304 0.000 0.711 265 A CB 1.735 20.600 19.000 -0.224 0.000 1.240 265 A HN 0.831 nan 8.150 nan 0.000 0.420 266 S N 2.221 117.649 115.700 -0.453 0.000 2.520 266 S HA 0.621 5.091 4.470 0.000 0.000 0.324 266 S C -0.192 174.165 174.600 -0.406 0.000 1.069 266 S CA -0.335 57.666 58.200 -0.332 0.000 1.121 266 S CB -0.022 63.040 63.200 -0.230 0.000 0.971 266 S HN 0.557 nan 8.310 nan 0.000 0.463 267 L N 3.304 124.287 121.223 -0.401 0.000 2.267 267 L HA 0.764 5.104 4.340 0.000 0.000 0.264 267 L C 0.549 177.039 176.870 -0.633 0.000 1.021 267 L CA -1.257 53.324 54.840 -0.432 0.000 0.861 267 L CB 1.194 43.018 42.059 -0.390 0.000 1.443 267 L HN 0.573 nan 8.230 nan 0.000 0.475 268 R N -1.687 118.454 120.500 -0.599 0.000 3.444 268 R HA 0.488 4.829 4.340 0.000 0.000 0.255 268 R C 0.355 176.460 176.300 -0.325 0.000 1.246 268 R CA -0.542 54.994 56.100 -0.940 0.000 0.990 268 R CB 0.741 30.788 30.300 -0.422 0.000 1.503 268 R HN 0.324 nan 8.270 nan 0.000 0.449 269 S N 0.524 116.273 115.700 0.082 0.000 2.371 269 S HA -0.098 4.372 4.470 0.000 0.000 0.224 269 S C 0.386 175.041 174.600 0.091 0.000 1.029 269 S CA 1.697 60.017 58.200 0.200 0.000 0.978 269 S CB -0.504 62.852 63.200 0.260 0.000 0.833 269 S HN 0.647 nan 8.310 nan 0.000 0.466 270 D N 1.157 121.595 120.400 0.063 0.000 1.976 270 D HA 0.054 4.694 4.640 0.000 0.000 0.285 270 D C 1.235 177.559 176.300 0.040 0.000 1.092 270 D CA 0.205 54.239 54.000 0.056 0.000 0.993 270 D CB 0.021 40.854 40.800 0.056 0.000 1.167 270 D HN -0.009 nan 8.370 nan 0.000 0.454 271 R N -2.054 118.474 120.500 0.046 0.000 2.419 271 R HA 0.225 4.565 4.340 0.000 0.000 0.235 271 R C 0.173 176.461 176.300 -0.019 0.000 0.899 271 R CA -0.626 55.477 56.100 0.004 0.000 1.048 271 R CB -0.515 29.773 30.300 -0.020 0.000 1.182 271 R HN 0.283 nan 8.270 nan 0.000 0.544 272 F N 1.714 121.599 119.950 -0.108 0.000 2.589 272 F HA 0.300 4.828 4.527 0.000 0.000 0.352 272 F C 0.830 176.547 175.800 -0.138 0.000 1.168 272 F CA 1.094 59.027 58.000 -0.111 0.000 1.353 272 F CB 0.681 39.632 39.000 -0.082 0.000 1.116 272 F HN 0.103 nan 8.300 nan 0.000 0.608 273 G N 4.211 112.537 108.800 -0.791 0.000 2.550 273 G HA2 0.480 4.440 3.960 0.000 0.000 0.293 273 G HA3 0.480 4.440 3.960 0.000 0.000 0.293 273 G C -2.083 172.379 174.900 -0.729 0.000 1.402 273 G CA -0.998 43.723 45.100 -0.631 0.000 0.784 273 G HN 0.743 nan 8.290 nan 0.000 0.482 274 M N 0.810 119.996 119.600 -0.691 0.000 2.204 274 M HA 0.627 5.107 4.480 0.000 0.000 0.293 274 M C -1.951 174.037 176.300 -0.520 0.000 0.994 274 M CA -0.719 54.324 55.300 -0.429 0.000 0.925 274 M CB 1.575 34.039 32.600 -0.227 0.000 1.577 274 M HN 0.538 nan 8.290 nan 0.000 0.439 275 Y N 2.758 122.998 120.300 -0.099 0.000 2.468 275 Y HA 0.754 5.304 4.550 0.000 0.000 0.342 275 Y C -0.058 175.816 175.900 -0.043 0.000 1.021 275 Y CA -0.601 57.466 58.100 -0.055 0.000 1.079 275 Y CB 1.480 39.921 38.460 -0.031 0.000 1.226 275 Y HN 0.593 nan 8.280 nan 0.000 0.460 276 E N 2.158 122.417 120.200 0.098 0.000 2.392 276 E HA 0.307 4.657 4.350 0.000 0.000 0.281 276 E C -3.545 173.029 176.600 -0.043 0.000 1.088 276 E CA -2.101 54.309 56.400 0.015 0.000 0.850 276 E CB 2.590 32.277 29.700 -0.022 0.000 1.267 276 E HN 0.258 nan 8.360 nan 0.000 0.438 277 P HA 0.064 nan 4.420 nan 0.000 0.274 277 P C 0.882 178.012 177.300 -0.283 0.000 1.231 277 P CA -0.389 62.538 63.100 -0.288 0.000 0.790 277 P CB 1.290 32.577 31.700 -0.689 0.000 0.951 278 V N 0.800 120.613 119.914 -0.167 0.000 2.871 278 V HA -0.118 4.002 4.120 0.000 0.000 0.256 278 V C 1.230 177.299 176.094 -0.041 0.000 1.082 278 V CA 1.268 63.527 62.300 -0.069 0.000 1.105 278 V CB -2.005 29.821 31.823 0.004 0.000 0.713 278 V HN 0.722 nan 8.190 nan 0.000 0.473 279 H N -0.082 119.009 119.070 0.034 0.000 2.815 279 H HA 0.506 5.062 4.556 0.000 0.000 0.350 279 H C 0.838 176.181 175.328 0.025 0.000 1.080 279 H CA -0.131 55.934 56.048 0.029 0.000 1.433 279 H CB 0.094 29.874 29.762 0.030 0.000 1.432 279 H HN 0.105 nan 8.280 nan 0.000 0.592 280 G N 0.697 109.630 108.800 0.223 0.000 2.393 280 G HA2 0.068 4.028 3.960 0.000 0.000 0.268 280 G HA3 0.068 4.028 3.960 0.000 0.000 0.268 280 G C 0.756 175.781 174.900 0.207 0.000 1.472 280 G CA 0.076 45.268 45.100 0.154 0.000 1.059 280 G HN 0.909 nan 8.290 nan 0.000 0.555 281 S N -1.658 114.116 115.700 0.124 0.000 2.540 281 S HA 0.438 4.908 4.470 0.000 0.000 0.218 281 S C 1.361 176.013 174.600 0.087 0.000 0.977 281 S CA 1.008 59.276 58.200 0.113 0.000 0.918 281 S CB 0.074 63.323 63.200 0.083 0.000 0.806 281 S HN 2.011 nan 8.310 nan 0.000 0.496 282 A N 3.401 126.263 122.820 0.070 0.000 2.151 282 A HA -0.117 4.203 4.320 0.000 0.000 0.271 282 A C -0.245 177.365 177.584 0.043 0.000 1.348 282 A CA 0.722 52.782 52.037 0.039 0.000 0.763 282 A CB -1.427 17.573 19.000 0.000 0.000 1.117 282 A HN 0.585 nan 8.150 nan 0.000 0.342 283 P HA -0.262 nan 4.420 nan 0.000 0.216 283 P C 0.985 178.310 177.300 0.043 0.000 1.153 283 P CA 1.795 64.938 63.100 0.071 0.000 0.858 283 P CB -0.297 31.462 31.700 0.098 0.000 0.789 284 D N -0.368 120.051 120.400 0.031 0.000 2.254 284 D HA -0.198 4.442 4.640 0.000 0.000 0.201 284 D C 1.838 178.145 176.300 0.011 0.000 0.998 284 D CA 0.919 54.929 54.000 0.017 0.000 0.885 284 D CB -0.880 39.928 40.800 0.013 0.000 0.915 284 D HN 0.205 nan 8.370 nan 0.000 0.460 285 I N -0.352 120.224 120.570 0.010 0.000 4.082 285 I HA 0.323 4.493 4.170 0.000 0.000 0.337 285 I C 0.231 176.352 176.117 0.007 0.000 1.352 285 I CA -0.182 61.120 61.300 0.003 0.000 1.097 285 I CB -0.450 37.545 38.000 -0.008 0.000 1.048 285 I HN 0.050 nan 8.210 nan 0.000 0.393 286 A N 0.905 123.736 122.820 0.019 0.000 2.603 286 A HA 0.326 4.646 4.320 0.000 0.000 0.235 286 A C 1.579 179.174 177.584 0.019 0.000 1.035 286 A CA 1.203 53.256 52.037 0.026 0.000 0.755 286 A CB -0.576 18.451 19.000 0.045 0.000 0.954 286 A HN 1.039 nan 8.150 nan 0.000 0.511 287 G N 1.056 109.867 108.800 0.017 0.000 2.579 287 G HA2 -0.353 3.607 3.960 0.000 0.000 0.222 287 G HA3 -0.353 3.607 3.960 0.000 0.000 0.222 287 G C 0.821 175.724 174.900 0.005 0.000 1.201 287 G CA 0.596 45.703 45.100 0.012 0.000 0.710 287 G HN 0.944 nan 8.290 nan 0.000 0.516 288 Q N 1.513 121.315 119.800 0.003 0.000 2.658 288 Q HA 0.291 4.631 4.340 0.000 0.000 0.219 288 Q C 1.638 177.636 176.000 -0.004 0.000 0.966 288 Q CA 0.576 56.378 55.803 -0.001 0.000 0.988 288 Q CB -0.776 27.961 28.738 -0.002 0.000 0.999 288 Q HN 1.717 nan 8.270 nan 0.000 0.591 289 G N 2.422 111.220 108.800 -0.004 0.000 2.424 289 G HA2 -0.311 3.649 3.960 0.000 0.000 0.294 289 G HA3 -0.311 3.649 3.960 0.000 0.000 0.294 289 G C 0.366 175.260 174.900 -0.009 0.000 0.939 289 G CA 1.246 46.342 45.100 -0.007 0.000 1.143 289 G HN 0.623 nan 8.290 nan 0.000 0.507 290 K N -1.776 118.616 120.400 -0.013 0.000 2.603 290 K HA 0.651 4.971 4.320 0.000 0.000 0.195 290 K C 0.781 177.365 176.600 -0.027 0.000 1.213 290 K CA 0.112 56.389 56.287 -0.016 0.000 1.084 290 K CB 0.444 32.936 32.500 -0.012 0.000 0.981 290 K HN 0.843 nan 8.250 nan 0.000 0.577 291 A N 1.654 124.453 122.820 -0.035 0.000 2.313 291 A HA 0.242 4.562 4.320 0.000 0.000 0.261 291 A C -0.332 177.215 177.584 -0.062 0.000 1.090 291 A CA -0.464 51.534 52.037 -0.065 0.000 0.807 291 A CB 0.259 19.217 19.000 -0.070 0.000 1.055 291 A HN 0.360 nan 8.150 nan 0.000 0.492 292 N N 1.237 119.877 118.700 -0.100 0.000 2.411 292 N HA 0.191 4.931 4.740 0.000 0.000 0.259 292 N C -1.712 173.790 175.510 -0.014 0.000 1.103 292 N CA -1.853 51.161 53.050 -0.060 0.000 0.954 292 N CB 1.241 39.686 38.487 -0.069 0.000 1.085 292 N HN 0.317 nan 8.380 nan 0.000 0.485 293 P HA -0.025 nan 4.420 nan 0.000 0.222 293 P C 1.720 179.058 177.300 0.065 0.000 1.157 293 P CA 0.389 63.515 63.100 0.043 0.000 0.816 293 P CB 0.587 32.298 31.700 0.018 0.000 0.813 294 L N -0.050 121.196 121.223 0.038 0.000 2.113 294 L HA -0.239 4.101 4.340 0.000 0.000 0.221 294 L C 2.754 179.667 176.870 0.071 0.000 1.084 294 L CA 2.281 57.139 54.840 0.031 0.000 0.787 294 L CB -1.959 40.094 42.059 -0.011 0.000 0.893 294 L HN 0.102 nan 8.230 nan 0.000 0.440 295 G N -1.072 107.805 108.800 0.129 0.000 2.421 295 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 295 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 295 G C 1.513 176.468 174.900 0.092 0.000 1.171 295 G CA 1.293 46.480 45.100 0.145 0.000 0.775 295 G HN 0.335 nan 8.290 nan 0.000 0.543 296 T N 0.551 115.171 114.554 0.110 0.000 2.995 296 T HA 0.003 4.353 4.350 0.000 0.000 0.269 296 T C 2.436 177.168 174.700 0.053 0.000 1.091 296 T CA 0.820 62.960 62.100 0.067 0.000 1.128 296 T CB 0.065 68.984 68.868 0.084 0.000 0.891 296 T HN 0.076 nan 8.240 nan 0.000 0.492 297 V N 1.094 121.040 119.914 0.053 0.000 2.591 297 V HA 0.048 4.168 4.120 0.000 0.000 0.249 297 V C 2.269 178.383 176.094 0.033 0.000 1.053 297 V CA 1.107 63.427 62.300 0.034 0.000 1.068 297 V CB -0.410 31.428 31.823 0.024 0.000 0.689 297 V HN 0.446 nan 8.190 nan 0.000 0.462 298 L N -0.474 120.779 121.223 0.051 0.000 2.240 298 L HA -0.060 4.280 4.340 0.000 0.000 0.211 298 L C 2.554 179.456 176.870 0.054 0.000 1.106 298 L CA 0.946 55.823 54.840 0.061 0.000 0.793 298 L CB -0.402 41.717 42.059 0.099 0.000 0.927 298 L HN 0.292 nan 8.230 nan 0.000 0.446 299 S N 0.292 116.028 115.700 0.060 0.000 2.368 299 S HA -0.171 4.299 4.470 0.000 0.000 0.225 299 S C 2.241 176.824 174.600 -0.029 0.000 1.030 299 S CA 1.203 59.451 58.200 0.080 0.000 0.999 299 S CB -0.267 62.991 63.200 0.097 0.000 0.844 299 S HN 0.498 nan 8.310 nan 0.000 0.459 300 A N 1.687 124.486 122.820 -0.035 0.000 1.908 300 A HA 0.054 4.374 4.320 0.000 0.000 0.218 300 A C 2.362 179.876 177.584 -0.116 0.000 1.181 300 A CA 1.757 53.745 52.037 -0.081 0.000 0.627 300 A CB -1.087 17.907 19.000 -0.010 0.000 0.818 300 A HN 0.523 nan 8.150 nan 0.000 0.445 301 A N -0.238 122.544 122.820 -0.064 0.000 1.902 301 A HA -0.034 4.286 4.320 0.000 0.000 0.217 301 A C 2.156 179.660 177.584 -0.133 0.000 1.181 301 A CA 1.441 53.438 52.037 -0.066 0.000 0.623 301 A CB -0.594 18.392 19.000 -0.023 0.000 0.818 301 A HN 0.482 nan 8.150 nan 0.000 0.443 302 L N -1.084 120.070 121.223 -0.115 0.000 2.042 302 L HA -0.243 4.098 4.340 0.000 0.000 0.210 302 L C 2.844 179.537 176.870 -0.294 0.000 1.076 302 L CA 1.933 56.731 54.840 -0.070 0.000 0.749 302 L CB -0.536 41.683 42.059 0.266 0.000 0.893 302 L HN 0.626 nan 8.230 nan 0.000 0.432 303 M N -0.116 118.980 119.600 -0.841 0.000 2.080 303 M HA -0.251 4.229 4.480 0.000 0.000 0.260 303 M C 2.296 178.401 176.300 -0.326 0.000 1.068 303 M CA 1.893 56.502 55.300 -1.151 0.000 1.109 303 M CB -0.081 31.953 32.600 -0.944 0.000 1.342 303 M HN 0.193 nan 8.290 nan 0.000 0.405 304 L N -0.288 120.851 121.223 -0.141 0.000 1.989 304 L HA -0.246 4.094 4.340 0.000 0.000 0.211 304 L C 2.830 179.699 176.870 -0.002 0.000 1.071 304 L CA 1.956 56.821 54.840 0.042 0.000 0.749 304 L CB -0.846 41.222 42.059 0.015 0.000 0.890 304 L HN 0.444 nan 8.230 nan 0.000 0.431 305 R N -0.936 119.479 120.500 -0.142 0.000 2.075 305 R HA -0.185 4.155 4.340 0.000 0.000 0.232 305 R C 2.336 178.530 176.300 -0.178 0.000 1.126 305 R CA 1.650 57.617 56.100 -0.221 0.000 0.963 305 R CB -0.179 29.861 30.300 -0.434 0.000 0.858 305 R HN 0.218 nan 8.270 nan 0.000 0.435 306 Y N -0.628 119.684 120.300 0.020 0.000 2.301 306 Y HA 0.170 4.720 4.550 0.000 0.000 0.295 306 Y C 2.562 178.440 175.900 -0.037 0.000 1.119 306 Y CA 0.777 58.897 58.100 0.033 0.000 1.162 306 Y CB -0.281 38.247 38.460 0.113 0.000 1.046 306 Y HN 0.007 nan 8.280 nan 0.000 0.538 307 S N -0.990 114.720 115.700 0.016 0.000 2.470 307 S HA 0.032 4.502 4.470 0.000 0.000 0.225 307 S C 0.457 174.654 174.600 -0.673 0.000 1.006 307 S CA 0.761 58.740 58.200 -0.368 0.000 0.934 307 S CB -0.180 62.657 63.200 -0.604 0.000 0.778 307 S HN 0.310 nan 8.310 nan 0.000 0.517 308 F N 0.164 120.123 119.950 0.015 0.000 2.815 308 F HA 0.359 4.886 4.527 0.000 0.000 0.323 308 F C 1.342 177.131 175.800 -0.018 0.000 1.151 308 F CA -0.769 57.220 58.000 -0.019 0.000 1.191 308 F CB -0.160 38.799 39.000 -0.069 0.000 1.069 308 F HN 0.095 nan 8.300 nan 0.000 0.514 309 G N 1.461 110.329 108.800 0.113 0.000 2.468 309 G HA2 -0.308 3.652 3.960 0.000 0.000 0.311 309 G HA3 -0.308 3.652 3.960 0.000 0.000 0.311 309 G C 0.287 175.228 174.900 0.069 0.000 0.942 309 G CA 0.223 45.370 45.100 0.078 0.000 0.893 309 G HN 0.240 nan 8.290 nan 0.000 0.513 310 L N 1.455 122.723 121.223 0.075 0.000 2.783 310 L HA 0.246 4.586 4.340 0.000 0.000 0.235 310 L C 2.084 178.972 176.870 0.030 0.000 1.260 310 L CA -0.120 54.757 54.840 0.062 0.000 1.184 310 L CB -0.136 41.967 42.059 0.074 0.000 1.472 310 L HN 0.530 nan 8.230 nan 0.000 0.426 311 E N 0.744 120.950 120.200 0.010 0.000 2.068 311 E HA -0.327 4.023 4.350 0.000 0.000 0.207 311 E C 1.464 178.060 176.600 -0.007 0.000 1.032 311 E CA 1.664 58.055 56.400 -0.016 0.000 0.839 311 E CB -0.276 29.420 29.700 -0.006 0.000 0.758 311 E HN 0.434 nan 8.360 nan 0.000 0.457 312 K N 1.435 121.842 120.400 0.012 0.000 1.991 312 K HA -0.211 4.109 4.320 0.000 0.000 0.212 312 K C 2.055 178.663 176.600 0.013 0.000 1.049 312 K CA 2.035 58.330 56.287 0.013 0.000 0.932 312 K CB -0.261 32.249 32.500 0.018 0.000 0.717 312 K HN 0.064 nan 8.250 nan 0.000 0.441 313 E N 0.389 120.606 120.200 0.029 0.000 2.233 313 E HA -0.184 4.166 4.350 0.000 0.000 0.199 313 E C 1.746 178.355 176.600 0.015 0.000 1.004 313 E CA 1.551 57.969 56.400 0.030 0.000 0.819 313 E CB -0.211 29.532 29.700 0.072 0.000 0.738 313 E HN 0.488 nan 8.360 nan 0.000 0.478 314 A N 0.734 123.554 122.820 0.000 0.000 1.855 314 A HA 0.125 4.445 4.320 0.000 0.000 0.213 314 A C 2.372 179.948 177.584 -0.013 0.000 1.195 314 A CA 1.245 53.268 52.037 -0.023 0.000 0.610 314 A CB -0.857 18.102 19.000 -0.067 0.000 0.837 314 A HN 0.283 nan 8.150 nan 0.000 0.444 315 A N 0.122 122.935 122.820 -0.012 0.000 1.986 315 A HA 0.053 4.373 4.320 0.000 0.000 0.220 315 A C 2.416 180.008 177.584 0.013 0.000 1.171 315 A CA 2.304 54.342 52.037 0.001 0.000 0.640 315 A CB -1.016 17.985 19.000 0.001 0.000 0.811 315 A HN 1.046 nan 8.150 nan 0.000 0.451 316 A N 0.384 123.210 122.820 0.010 0.000 1.834 316 A HA -0.149 4.172 4.320 0.000 0.000 0.216 316 A C 2.095 179.689 177.584 0.016 0.000 1.203 316 A CA 1.628 53.672 52.037 0.012 0.000 0.621 316 A CB -0.832 18.172 19.000 0.006 0.000 0.841 316 A HN 0.506 nan 8.150 nan 0.000 0.446 317 I N -0.347 120.231 120.570 0.014 0.000 2.087 317 I HA -0.376 3.794 4.170 0.000 0.000 0.240 317 I C 2.503 178.639 176.117 0.032 0.000 1.054 317 I CA 2.208 63.518 61.300 0.017 0.000 1.311 317 I CB -0.904 37.104 38.000 0.013 0.000 1.024 317 I HN 0.479 nan 8.210 nan 0.000 0.402 318 E N 0.771 120.997 120.200 0.043 0.000 2.208 318 E HA -0.317 4.033 4.350 0.000 0.000 0.202 318 E C 2.002 178.662 176.600 0.101 0.000 1.014 318 E CA 2.079 58.528 56.400 0.082 0.000 0.819 318 E CB -0.160 29.582 29.700 0.071 0.000 0.735 318 E HN 0.572 nan 8.360 nan 0.000 0.469 319 K N 0.059 120.499 120.400 0.066 0.000 2.284 319 K HA 0.178 4.498 4.320 0.000 0.000 0.198 319 K C 1.894 178.521 176.600 0.045 0.000 1.048 319 K CA 0.921 57.248 56.287 0.066 0.000 0.987 319 K CB 0.011 32.539 32.500 0.048 0.000 0.800 319 K HN 0.040 nan 8.250 nan 0.000 0.486 320 A N 1.267 124.105 122.820 0.029 0.000 1.902 320 A HA -0.056 4.264 4.320 0.000 0.000 0.217 320 A C 2.321 179.908 177.584 0.006 0.000 1.181 320 A CA 1.691 53.737 52.037 0.016 0.000 0.623 320 A CB -0.863 18.142 19.000 0.008 0.000 0.818 320 A HN 0.124 nan 8.150 nan 0.000 0.443 321 V N 0.392 120.302 119.914 -0.006 0.000 2.358 321 V HA -0.229 3.891 4.120 0.000 0.000 0.246 321 V C 2.321 178.356 176.094 -0.098 0.000 1.047 321 V CA 2.446 64.711 62.300 -0.058 0.000 1.035 321 V CB -0.688 31.085 31.823 -0.083 0.000 0.658 321 V HN 0.709 nan 8.190 nan 0.000 0.452 322 D N -0.260 120.121 120.400 -0.031 0.000 2.144 322 D HA -0.165 4.475 4.640 0.000 0.000 0.200 322 D C 1.752 178.064 176.300 0.020 0.000 0.978 322 D CA 1.130 55.138 54.000 0.012 0.000 0.833 322 D CB -0.046 40.859 40.800 0.175 0.000 0.961 322 D HN 0.382 nan 8.370 nan 0.000 0.470 323 D N -0.575 119.842 120.400 0.027 0.000 2.084 323 D HA -0.103 4.537 4.640 0.000 0.000 0.196 323 D C 2.328 178.651 176.300 0.039 0.000 0.985 323 D CA 0.692 54.712 54.000 0.033 0.000 0.826 323 D CB -0.412 40.409 40.800 0.035 0.000 0.978 323 D HN 0.110 nan 8.370 nan 0.000 0.456 324 V N 1.396 121.336 119.914 0.043 0.000 2.219 324 V HA -0.268 3.852 4.120 0.000 0.000 0.248 324 V C 2.741 178.878 176.094 0.072 0.000 1.053 324 V CA 1.437 63.795 62.300 0.095 0.000 1.009 324 V CB -0.730 31.134 31.823 0.067 0.000 0.636 324 V HN 0.204 nan 8.190 nan 0.000 0.445 325 L N -0.362 120.858 121.223 -0.005 0.000 2.081 325 L HA -0.266 4.074 4.340 0.000 0.000 0.212 325 L C 2.590 179.434 176.870 -0.044 0.000 1.080 325 L CA 1.757 56.570 54.840 -0.044 0.000 0.754 325 L CB -0.570 41.419 42.059 -0.116 0.000 0.893 325 L HN 0.375 nan 8.230 nan 0.000 0.433 326 Q N -0.119 119.669 119.800 -0.020 0.000 2.436 326 Q HA -0.159 4.181 4.340 0.000 0.000 0.209 326 Q C 1.227 177.200 176.000 -0.046 0.000 0.965 326 Q CA 1.254 57.047 55.803 -0.017 0.000 0.910 326 Q CB -0.035 28.710 28.738 0.012 0.000 0.980 326 Q HN 0.411 nan 8.270 nan 0.000 0.491 327 D N -1.881 118.482 120.400 -0.062 0.000 2.327 327 D HA 0.211 4.851 4.640 0.000 0.000 0.205 327 D C 0.852 176.907 176.300 -0.408 0.000 0.989 327 D CA 1.095 55.014 54.000 -0.136 0.000 0.873 327 D CB 0.616 41.440 40.800 0.040 0.000 0.955 327 D HN 0.334 nan 8.370 nan 0.000 0.515 328 G N -0.863 107.707 108.800 -0.382 0.000 2.205 328 G HA2 -0.212 3.748 3.960 0.000 0.000 0.180 328 G HA3 -0.212 3.748 3.960 0.000 0.000 0.180 328 G C -0.403 174.223 174.900 -0.457 0.000 1.004 328 G CA -0.613 44.230 45.100 -0.428 0.000 0.670 328 G HN 0.187 nan 8.290 nan 0.000 0.496 329 Y N 1.198 121.484 120.300 -0.022 0.000 2.313 329 Y HA 0.613 5.163 4.550 0.000 0.000 0.332 329 Y C 1.288 177.168 175.900 -0.033 0.000 1.071 329 Y CA -0.561 57.524 58.100 -0.024 0.000 1.169 329 Y CB 0.746 39.192 38.460 -0.024 0.000 1.192 329 Y HN 0.685 nan 8.280 nan 0.000 0.487 330 C N -1.406 117.959 119.300 0.109 0.000 3.214 330 C HA 0.642 5.102 4.460 0.000 0.000 0.378 330 C C 0.675 175.685 174.990 0.035 0.000 2.231 330 C CA -0.513 58.531 59.018 0.043 0.000 1.192 330 C CB 1.533 29.276 27.740 0.005 0.000 2.621 330 C HN 0.713 nan 8.230 nan 0.000 0.433 331 T N -0.456 114.104 114.554 0.010 0.000 3.084 331 T HA 0.538 4.888 4.350 0.000 0.000 0.270 331 T C 1.315 176.014 174.700 -0.003 0.000 1.008 331 T CA 0.967 63.069 62.100 0.002 0.000 0.900 331 T CB 0.342 69.203 68.868 -0.011 0.000 1.084 331 T HN 2.120 nan 8.240 nan 0.000 0.538 332 G N 3.006 111.806 108.800 -0.001 0.000 2.345 332 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 332 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 332 G C 0.710 175.607 174.900 -0.005 0.000 1.058 332 G CA 0.248 45.347 45.100 -0.003 0.000 0.632 332 G HN 0.612 nan 8.290 nan 0.000 0.508 333 D N 1.043 121.437 120.400 -0.010 0.000 2.328 333 D HA 0.202 4.842 4.640 0.000 0.000 0.226 333 D C 1.029 177.329 176.300 -0.001 0.000 1.066 333 D CA 0.236 54.231 54.000 -0.009 0.000 0.861 333 D CB 0.313 41.100 40.800 -0.021 0.000 0.912 333 D HN 0.486 nan 8.370 nan 0.000 0.521 334 L N 0.284 121.506 121.223 -0.002 0.000 2.333 334 L HA 0.354 4.694 4.340 0.000 0.000 0.269 334 L C -0.042 176.829 176.870 0.001 0.000 1.010 334 L CA -0.872 53.969 54.840 0.001 0.000 0.818 334 L CB 2.099 44.153 42.059 -0.007 0.000 1.306 334 L HN -0.255 nan 8.230 nan 0.000 0.430 335 Q N 2.579 122.382 119.800 0.005 0.000 2.571 335 Q HA 0.341 4.681 4.340 0.000 0.000 0.243 335 Q C -0.324 175.675 176.000 -0.002 0.000 1.055 335 Q CA -0.418 55.386 55.803 0.002 0.000 0.815 335 Q CB 1.878 30.621 28.738 0.008 0.000 1.151 335 Q HN 0.563 nan 8.270 nan 0.000 0.519 336 V N -1.306 118.599 119.914 -0.015 0.000 3.610 336 V HA 0.615 4.735 4.120 0.000 0.000 0.285 336 V C 1.327 177.406 176.094 -0.026 0.000 1.012 336 V CA 0.336 62.621 62.300 -0.025 0.000 0.975 336 V CB 0.495 32.288 31.823 -0.050 0.000 1.247 336 V HN 0.639 nan 8.190 nan 0.000 0.424 337 A N 0.525 123.324 122.820 -0.035 0.000 1.837 337 A HA -0.071 4.249 4.320 0.000 0.000 0.216 337 A C 1.148 178.710 177.584 -0.036 0.000 1.210 337 A CA 2.056 54.074 52.037 -0.032 0.000 0.632 337 A CB -0.957 18.019 19.000 -0.040 0.000 0.843 337 A HN 0.934 nan 8.150 nan 0.000 0.448 338 N N 0.032 118.700 118.700 -0.055 0.000 2.746 338 N HA 0.369 5.109 4.740 0.000 0.000 0.250 338 N C -0.006 175.464 175.510 -0.067 0.000 1.146 338 N CA 0.409 53.428 53.050 -0.052 0.000 0.828 338 N CB 0.871 39.327 38.487 -0.052 0.000 1.158 338 N HN 0.512 nan 8.380 nan 0.000 0.519 339 G N 1.284 110.055 108.800 -0.049 0.000 2.497 339 G HA2 -0.136 3.824 3.960 0.000 0.000 0.228 339 G HA3 -0.136 3.824 3.960 0.000 0.000 0.228 339 G C 0.095 174.967 174.900 -0.048 0.000 1.190 339 G CA 0.221 45.294 45.100 -0.044 0.000 0.857 339 G HN 0.478 nan 8.290 nan 0.000 0.526 340 K N 2.094 122.472 120.400 -0.038 0.000 3.157 340 K HA 0.210 4.530 4.320 0.000 0.000 0.173 340 K C -0.161 176.490 176.600 0.085 0.000 1.127 340 K CA -0.653 55.639 56.287 0.008 0.000 0.849 340 K CB 1.387 33.840 32.500 -0.079 0.000 1.038 340 K HN 0.337 nan 8.250 nan 0.000 0.603 341 V N 1.671 121.614 119.914 0.049 0.000 2.953 341 V HA -0.010 4.110 4.120 0.000 0.000 0.304 341 V C 0.697 176.829 176.094 0.064 0.000 1.138 341 V CA 0.139 62.468 62.300 0.048 0.000 1.266 341 V CB 0.551 32.388 31.823 0.024 0.000 0.923 341 V HN 0.401 nan 8.190 nan 0.000 0.505 342 V N 0.859 120.802 119.914 0.049 0.000 3.232 342 V HA 0.825 4.945 4.120 0.000 0.000 0.303 342 V C -0.206 175.894 176.094 0.010 0.000 1.311 342 V CA -0.360 61.959 62.300 0.031 0.000 1.061 342 V CB 1.910 33.753 31.823 0.032 0.000 1.085 342 V HN 1.010 nan 8.190 nan 0.000 0.447 343 S N 0.160 115.858 115.700 -0.003 0.000 2.603 343 S HA 0.265 4.735 4.470 0.000 0.000 0.268 343 S C 1.065 175.657 174.600 -0.012 0.000 1.317 343 S CA 0.504 58.699 58.200 -0.008 0.000 1.012 343 S CB 0.921 64.114 63.200 -0.012 0.000 0.926 343 S HN 1.098 nan 8.310 nan 0.000 0.539 344 T N 1.734 116.281 114.554 -0.013 0.000 2.699 344 T HA -0.137 4.213 4.350 0.000 0.000 0.268 344 T C 1.609 176.299 174.700 -0.017 0.000 1.036 344 T CA 1.323 63.415 62.100 -0.014 0.000 1.147 344 T CB -0.406 68.455 68.868 -0.012 0.000 0.862 344 T HN 0.606 nan 8.240 nan 0.000 0.446 345 I N 1.431 121.989 120.570 -0.019 0.000 2.286 345 I HA -0.119 4.051 4.170 0.000 0.000 0.248 345 I C 2.455 178.551 176.117 -0.035 0.000 1.115 345 I CA 1.586 62.871 61.300 -0.025 0.000 1.392 345 I CB -0.740 37.246 38.000 -0.024 0.000 1.065 345 I HN 0.220 nan 8.210 nan 0.000 0.418 346 E N 1.083 121.260 120.200 -0.037 0.000 2.085 346 E HA -0.220 4.130 4.350 0.000 0.000 0.194 346 E C 2.279 178.837 176.600 -0.070 0.000 0.994 346 E CA 1.593 57.959 56.400 -0.057 0.000 0.801 346 E CB -0.538 29.132 29.700 -0.051 0.000 0.743 346 E HN 0.529 nan 8.360 nan 0.000 0.453 347 L N 0.162 121.358 121.223 -0.045 0.000 2.046 347 L HA -0.175 4.165 4.340 0.000 0.000 0.208 347 L C 2.388 179.232 176.870 -0.043 0.000 1.077 347 L CA 1.780 56.597 54.840 -0.039 0.000 0.747 347 L CB -0.779 41.272 42.059 -0.013 0.000 0.896 347 L HN 0.292 nan 8.230 nan 0.000 0.432 348 T N -0.551 113.982 114.554 -0.036 0.000 2.635 348 T HA -0.234 4.116 4.350 0.000 0.000 0.267 348 T C 1.280 175.954 174.700 -0.043 0.000 1.040 348 T CA 1.956 64.035 62.100 -0.033 0.000 1.156 348 T CB -0.456 68.393 68.868 -0.031 0.000 0.863 348 T HN 0.385 nan 8.240 nan 0.000 0.430 349 D N 0.922 121.290 120.400 -0.054 0.000 2.077 349 D HA -0.026 4.614 4.640 0.000 0.000 0.193 349 D C 2.203 178.459 176.300 -0.073 0.000 0.989 349 D CA 0.835 54.798 54.000 -0.061 0.000 0.831 349 D CB -0.316 40.444 40.800 -0.068 0.000 0.979 349 D HN 0.217 nan 8.370 nan 0.000 0.449 350 R N -0.124 120.313 120.500 -0.106 0.000 2.371 350 R HA -0.061 4.279 4.340 0.000 0.000 0.226 350 R C 1.740 177.997 176.300 -0.071 0.000 1.132 350 R CA 0.416 56.435 56.100 -0.135 0.000 1.027 350 R CB -0.106 30.049 30.300 -0.240 0.000 0.848 350 R HN 0.304 nan 8.270 nan 0.000 0.479 351 L N -0.849 120.344 121.223 -0.049 0.000 2.433 351 L HA 0.087 4.427 4.340 0.000 0.000 0.200 351 L C 1.941 178.797 176.870 -0.025 0.000 1.059 351 L CA 0.245 55.069 54.840 -0.027 0.000 0.835 351 L CB 0.076 42.122 42.059 -0.022 0.000 1.076 351 L HN 0.085 nan 8.230 nan 0.000 0.481 352 I N 0.098 120.650 120.570 -0.030 0.000 2.423 352 I HA -0.297 3.873 4.170 0.000 0.000 0.254 352 I C 2.296 178.397 176.117 -0.027 0.000 1.151 352 I CA 1.190 62.474 61.300 -0.027 0.000 1.421 352 I CB -0.064 37.918 38.000 -0.031 0.000 1.079 352 I HN 0.403 nan 8.210 nan 0.000 0.431 353 E N 1.429 121.609 120.200 -0.033 0.000 2.011 353 E HA -0.172 4.179 4.350 0.000 0.000 0.191 353 E C 2.019 178.606 176.600 -0.022 0.000 0.979 353 E CA 0.707 57.088 56.400 -0.032 0.000 0.822 353 E CB 0.083 29.756 29.700 -0.046 0.000 0.782 353 E HN 0.279 nan 8.360 nan 0.000 0.459 354 K N 0.413 120.802 120.400 -0.019 0.000 2.293 354 K HA -0.181 4.139 4.320 0.000 0.000 0.204 354 K C 1.025 177.624 176.600 -0.003 0.000 1.045 354 K CA 0.301 56.586 56.287 -0.004 0.000 0.933 354 K CB -0.270 32.235 32.500 0.007 0.000 0.736 354 K HN 0.114 nan 8.250 nan 0.000 0.463 355 L N 2.542 123.761 121.223 -0.008 0.000 2.416 355 L HA 0.039 4.379 4.340 0.000 0.000 0.243 355 L C -0.280 176.584 176.870 -0.010 0.000 1.373 355 L CA 0.567 55.403 54.840 -0.007 0.000 1.227 355 L CB -1.511 40.542 42.059 -0.009 0.000 1.428 355 L HN 0.310 nan 8.230 nan 0.000 0.425 356 N N 0.000 118.695 118.700 -0.008 0.000 1.763 356 N HA 0.000 4.740 4.740 0.000 0.000 0.220 356 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 356 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 356 N HN 0.000 nan 8.380 nan 0.000 0.667