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 2odo_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRPARALIDL QALRHNYQLA REVTGAKALA VIXADAYGHG AVRCAQALEA DATA SEQUENCE EADGFAVACI EEALELRAAG IRAPILLLEG FFEADELPLI VEHDFWCVVH DATA SEQUENCE SLWQLDAIEQ ARLAKPIHVW LXLDSGMHRV GLHPNDYKAA YQRLQASANV DATA SEQUENCE AKIVLMSHFA RADELDCTRS VEQVAVFLGA RADLTAEISL RNSPAVLGWP DATA SEQUENCE RVPSDWVRPG LMLYGSSPFD EPQATASRLQ PVMTLESKVI CVRELPAGEP DATA SEQUENCE VGYGARFITP KPMRIGVVAM GYADGYPRQA PTGTPVFVDG VRSQLLGRVS DATA SEQUENCE MDMLCIDLTD VPQAGLGSTV ELWGKNILAS EVATAADTIP YQIFCNLKRV DATA SEQUENCE PRLYSG 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 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 R N 3.245 123.728 120.500 -0.028 0.000 2.421 2 R HA 0.270 4.610 4.340 0.000 0.000 0.305 2 R C -1.294 174.981 176.300 -0.041 0.000 1.039 2 R CA -0.707 55.371 56.100 -0.036 0.000 1.003 2 R CB 0.497 30.774 30.300 -0.038 0.000 0.959 2 R HN 0.317 nan 8.270 nan 0.000 0.427 3 P HA -0.032 nan 4.420 nan 0.000 0.239 3 P C -0.333 176.932 177.300 -0.059 0.000 1.184 3 P CA 0.322 63.395 63.100 -0.047 0.000 0.760 3 P CB 0.238 31.911 31.700 -0.046 0.000 0.884 4 A N 2.071 124.851 122.820 -0.066 0.000 2.491 4 A HA 0.321 4.641 4.320 0.000 0.000 0.261 4 A C 0.668 178.204 177.584 -0.080 0.000 1.101 4 A CA -0.119 51.868 52.037 -0.083 0.000 0.772 4 A CB -0.277 18.672 19.000 -0.085 0.000 1.043 4 A HN 0.304 nan 8.150 nan 0.000 0.501 5 R N 1.368 121.810 120.500 -0.096 0.000 2.668 5 R HA 0.737 5.077 4.340 0.000 0.000 0.272 5 R C -1.035 175.191 176.300 -0.123 0.000 1.019 5 R CA -0.537 55.506 56.100 -0.096 0.000 0.894 5 R CB 1.762 32.016 30.300 -0.077 0.000 1.228 5 R HN 0.794 nan 8.270 nan 0.000 0.460 6 A N 3.903 126.646 122.820 -0.128 0.000 2.287 6 A HA 0.538 4.858 4.320 0.000 0.000 0.317 6 A C -0.553 176.939 177.584 -0.152 0.000 1.220 6 A CA -0.877 51.074 52.037 -0.143 0.000 0.835 6 A CB 0.745 19.661 19.000 -0.140 0.000 1.180 6 A HN 0.627 nan 8.150 nan 0.000 0.500 7 L N 3.890 125.045 121.223 -0.115 0.000 2.275 7 L HA 0.411 4.751 4.340 0.000 0.000 0.288 7 L C -0.584 176.238 176.870 -0.081 0.000 1.046 7 L CA -0.510 54.268 54.840 -0.103 0.000 0.805 7 L CB 1.120 43.146 42.059 -0.055 0.000 1.193 7 L HN 0.487 nan 8.230 nan 0.000 0.426 8 I N 2.613 123.101 120.570 -0.136 0.000 2.328 8 I HA 0.172 4.342 4.170 0.000 0.000 0.287 8 I C -0.151 175.990 176.117 0.040 0.000 1.012 8 I CA -0.265 61.007 61.300 -0.047 0.000 1.195 8 I CB 1.307 39.201 38.000 -0.176 0.000 1.350 8 I HN 0.519 nan 8.210 nan 0.000 0.464 9 D N 6.963 127.405 120.400 0.070 0.000 2.453 9 D HA 0.208 4.848 4.640 0.000 0.000 0.223 9 D C 1.080 177.428 176.300 0.081 0.000 1.183 9 D CA -0.135 53.904 54.000 0.065 0.000 0.933 9 D CB 0.826 41.653 40.800 0.045 0.000 1.038 9 D HN 0.434 nan 8.370 nan 0.000 0.513 10 L N 2.317 123.601 121.223 0.103 0.000 2.217 10 L HA -0.094 4.246 4.340 0.000 0.000 0.211 10 L C 2.416 179.327 176.870 0.069 0.000 1.107 10 L CA 0.548 55.448 54.840 0.099 0.000 0.783 10 L CB -0.105 42.024 42.059 0.117 0.000 0.919 10 L HN 0.436 nan 8.230 nan 0.000 0.442 11 Q N 0.260 120.097 119.800 0.061 0.000 2.079 11 Q HA -0.196 4.144 4.340 0.000 0.000 0.200 11 Q C 2.300 178.343 176.000 0.070 0.000 0.974 11 Q CA 1.801 57.639 55.803 0.058 0.000 0.840 11 Q CB 0.024 28.788 28.738 0.042 0.000 0.898 11 Q HN 0.538 nan 8.270 nan 0.000 0.430 12 A N 0.688 123.539 122.820 0.050 0.000 1.969 12 A HA -0.158 4.162 4.320 0.000 0.000 0.218 12 A C 2.036 179.666 177.584 0.076 0.000 1.169 12 A CA 1.061 53.128 52.037 0.050 0.000 0.635 12 A CB -0.576 18.431 19.000 0.013 0.000 0.810 12 A HN 0.408 nan 8.150 nan 0.000 0.445 13 L N -0.166 121.081 121.223 0.040 0.000 2.017 13 L HA -0.140 4.200 4.340 0.000 0.000 0.208 13 L C 2.448 179.339 176.870 0.035 0.000 1.073 13 L CA 1.935 56.772 54.840 -0.006 0.000 0.745 13 L CB -0.444 41.606 42.059 -0.014 0.000 0.894 13 L HN 0.325 nan 8.230 nan 0.000 0.432 14 R N -1.466 119.075 120.500 0.068 0.000 2.096 14 R HA -0.205 4.135 4.340 0.000 0.000 0.235 14 R C 2.414 178.788 176.300 0.123 0.000 1.127 14 R CA 1.418 57.574 56.100 0.093 0.000 0.968 14 R CB -0.746 29.602 30.300 0.080 0.000 0.861 14 R HN 0.600 nan 8.270 nan 0.000 0.440 15 H N 0.972 120.061 119.070 0.031 0.000 2.357 15 H HA -0.050 4.506 4.556 0.000 0.000 0.301 15 H C 1.333 176.666 175.328 0.008 0.000 1.082 15 H CA 1.472 57.531 56.048 0.019 0.000 1.342 15 H CB 0.195 29.963 29.762 0.009 0.000 1.389 15 H HN 0.128 nan 8.280 nan 0.000 0.511 16 N N 0.234 118.987 118.700 0.089 0.000 2.244 16 N HA -0.157 4.583 4.740 0.000 0.000 0.183 16 N C 1.864 177.344 175.510 -0.050 0.000 1.016 16 N CA 0.911 53.964 53.050 0.004 0.000 0.866 16 N CB -0.748 37.735 38.487 -0.007 0.000 0.980 16 N HN 0.455 nan 8.380 nan 0.000 0.430 17 Y N 1.753 121.978 120.300 -0.125 0.000 2.220 17 Y HA -0.091 4.459 4.550 0.000 0.000 0.291 17 Y C 2.235 178.068 175.900 -0.111 0.000 1.129 17 Y CA 1.497 59.525 58.100 -0.118 0.000 1.161 17 Y CB -0.174 38.225 38.460 -0.101 0.000 0.997 17 Y HN 0.057 nan 8.280 nan 0.000 0.522 18 Q N 0.026 119.757 119.800 -0.115 0.000 2.170 18 Q HA -0.202 4.138 4.340 0.000 0.000 0.203 18 Q C 2.305 178.150 176.000 -0.259 0.000 0.976 18 Q CA 1.769 57.455 55.803 -0.195 0.000 0.858 18 Q CB -0.263 28.408 28.738 -0.111 0.000 0.907 18 Q HN 0.568 nan 8.270 nan 0.000 0.433 19 L N -0.007 121.052 121.223 -0.274 0.000 2.083 19 L HA -0.174 4.166 4.340 0.000 0.000 0.209 19 L C 2.203 178.962 176.870 -0.185 0.000 1.083 19 L CA 1.091 55.792 54.840 -0.231 0.000 0.752 19 L CB -0.274 41.651 42.059 -0.222 0.000 0.899 19 L HN 0.202 nan 8.230 nan 0.000 0.433 20 A N -0.119 122.563 122.820 -0.229 0.000 1.877 20 A HA -0.229 4.091 4.320 0.000 0.000 0.216 20 A C 2.329 179.782 177.584 -0.218 0.000 1.186 20 A CA 1.717 53.629 52.037 -0.207 0.000 0.620 20 A CB -0.491 18.357 19.000 -0.253 0.000 0.822 20 A HN 0.425 nan 8.150 nan 0.000 0.443 21 R N -0.848 119.460 120.500 -0.319 0.000 2.066 21 R HA -0.126 4.214 4.340 0.000 0.000 0.232 21 R C 2.341 178.547 176.300 -0.158 0.000 1.131 21 R CA 1.473 57.424 56.100 -0.248 0.000 0.955 21 R CB -0.331 29.796 30.300 -0.288 0.000 0.851 21 R HN 0.763 nan 8.270 nan 0.000 0.432 22 E N 0.368 120.476 120.200 -0.153 0.000 2.085 22 E HA -0.178 4.172 4.350 0.000 0.000 0.194 22 E C 1.666 178.219 176.600 -0.079 0.000 0.994 22 E CA 1.373 57.708 56.400 -0.108 0.000 0.801 22 E CB 0.220 29.852 29.700 -0.115 0.000 0.743 22 E HN 0.116 nan 8.360 nan 0.000 0.453 23 V N -0.451 119.417 119.914 -0.076 0.000 2.878 23 V HA -0.083 4.037 4.120 0.000 0.000 0.250 23 V C 2.136 178.212 176.094 -0.030 0.000 1.075 23 V CA 1.742 64.016 62.300 -0.044 0.000 1.096 23 V CB 0.310 32.115 31.823 -0.030 0.000 0.724 23 V HN 0.286 nan 8.190 nan 0.000 0.467 24 T N -1.178 113.351 114.554 -0.042 0.000 3.023 24 T HA 0.254 4.604 4.350 0.000 0.000 0.249 24 T C 1.402 176.081 174.700 -0.035 0.000 1.050 24 T CA 1.024 63.111 62.100 -0.022 0.000 1.088 24 T CB 0.082 68.942 68.868 -0.012 0.000 0.946 24 T HN 0.703 nan 8.240 nan 0.000 0.480 25 G N 1.377 110.141 108.800 -0.061 0.000 2.198 25 G HA2 0.005 3.965 3.960 0.000 0.000 0.260 25 G HA3 0.005 3.965 3.960 0.000 0.000 0.260 25 G C 0.112 174.962 174.900 -0.083 0.000 1.025 25 G CA 0.359 45.420 45.100 -0.066 0.000 0.769 25 G HN 0.984 nan 8.290 nan 0.000 0.507 26 A N -1.257 121.501 122.820 -0.103 0.000 2.530 26 A HA 0.893 5.213 4.320 0.000 0.000 0.288 26 A C -0.017 177.449 177.584 -0.197 0.000 1.172 26 A CA -0.605 51.345 52.037 -0.144 0.000 0.733 26 A CB 0.991 19.930 19.000 -0.102 0.000 1.320 26 A HN 0.324 nan 8.150 nan 0.000 0.419 27 K N 0.177 120.376 120.400 -0.336 0.000 2.382 27 K HA 0.516 4.836 4.320 0.000 0.000 0.275 27 K C -0.173 176.353 176.600 -0.124 0.000 1.009 27 K CA 0.911 56.956 56.287 -0.404 0.000 0.970 27 K CB 0.925 32.778 32.500 -1.080 0.000 0.934 27 K HN 0.884 nan 8.250 nan 0.000 0.479 28 A N 3.594 126.440 122.820 0.043 0.000 2.335 28 A HA 0.449 4.769 4.320 0.000 0.000 0.304 28 A C -0.963 176.855 177.584 0.391 0.000 1.118 28 A CA -0.797 51.350 52.037 0.183 0.000 0.757 28 A CB 0.365 19.300 19.000 -0.108 0.000 1.188 28 A HN 0.630 nan 8.150 nan 0.000 0.460 29 L N 2.654 124.123 121.223 0.411 0.000 2.278 29 L HA 0.439 4.779 4.340 0.000 0.000 0.287 29 L C 0.927 177.902 176.870 0.173 0.000 1.072 29 L CA -0.301 54.688 54.840 0.247 0.000 0.819 29 L CB 1.325 43.494 42.059 0.182 0.000 1.176 29 L HN 0.806 nan 8.230 nan 0.000 0.435 30 A N 4.696 127.548 122.820 0.053 0.000 2.438 30 A HA 0.339 4.659 4.320 0.000 0.000 0.280 30 A C 0.114 177.796 177.584 0.162 0.000 1.160 30 A CA -0.385 51.701 52.037 0.082 0.000 0.821 30 A CB -0.075 18.879 19.000 -0.077 0.000 1.101 30 A HN 0.468 nan 8.150 nan 0.000 0.515 31 V N 5.861 125.856 119.914 0.137 0.000 2.397 31 V HA 0.234 4.354 4.120 0.000 0.000 0.262 31 V C 0.513 176.750 176.094 0.237 0.000 1.047 31 V CA 0.453 62.862 62.300 0.183 0.000 1.003 31 V CB -1.037 30.912 31.823 0.210 0.000 1.037 31 V HN 0.736 nan 8.190 nan 0.000 0.480 35 D N 0.248 120.687 120.400 0.065 0.000 2.689 35 D HA -0.039 4.601 4.640 0.000 0.000 0.237 35 D C 0.672 177.046 176.300 0.124 0.000 1.148 35 D CA 2.071 56.114 54.000 0.070 0.000 0.656 35 D CB -1.340 39.491 40.800 0.050 0.000 1.050 35 D HN 2.264 nan 8.370 nan 0.000 0.426 36 A N 0.916 123.845 122.820 0.183 0.000 2.519 36 A HA -0.193 4.127 4.320 0.000 0.000 0.297 36 A C 0.793 178.477 177.584 0.167 0.000 1.472 36 A CA 1.246 53.443 52.037 0.266 0.000 0.739 36 A CB -2.141 17.012 19.000 0.255 0.000 1.096 36 A HN 1.199 nan 8.150 nan 0.000 0.414 37 Y N -2.846 117.390 120.300 -0.107 0.000 3.491 37 Y HA -0.150 4.400 4.550 0.000 0.000 0.215 37 Y C 1.995 177.837 175.900 -0.096 0.000 1.219 37 Y CA 1.913 59.917 58.100 -0.159 0.000 1.485 37 Y CB -1.822 36.330 38.460 -0.514 0.000 1.450 37 Y HN 2.410 nan 8.280 nan 0.000 0.603 38 G N -1.861 106.980 108.800 0.069 0.000 2.179 38 G HA2 -0.409 3.551 3.960 0.000 0.000 0.260 38 G HA3 -0.409 3.551 3.960 0.000 0.000 0.260 38 G C 0.628 175.460 174.900 -0.113 0.000 0.977 38 G CA 0.632 45.721 45.100 -0.019 0.000 0.641 38 G HN 0.636 nan 8.290 nan 0.000 0.533 39 H N 0.070 119.111 119.070 -0.048 0.000 2.544 39 H HA 0.452 5.008 4.556 0.000 0.000 0.269 39 H C 1.627 177.056 175.328 0.169 0.000 0.970 39 H CA 1.531 57.588 56.048 0.015 0.000 1.219 39 H CB 0.644 30.401 29.762 -0.007 0.000 1.421 39 H HN 1.474 nan 8.280 nan 0.000 0.555 40 G N 0.112 109.055 108.800 0.239 0.000 3.224 40 G HA2 0.066 4.026 3.960 0.000 0.000 0.684 40 G HA3 0.066 4.026 3.960 0.000 0.000 0.684 40 G C 0.766 175.734 174.900 0.113 0.000 1.180 40 G CA -0.130 45.093 45.100 0.206 0.000 1.099 40 G HN 0.457 nan 8.290 nan 0.000 0.476 41 A N 1.773 124.623 122.820 0.050 0.000 1.908 41 A HA 0.151 4.471 4.320 0.000 0.000 0.218 41 A C 2.630 180.142 177.584 -0.121 0.000 1.181 41 A CA 2.864 54.889 52.037 -0.020 0.000 0.627 41 A CB -0.289 18.692 19.000 -0.032 0.000 0.818 41 A HN 1.487 nan 8.150 nan 0.000 0.445 42 V N 0.024 119.866 119.914 -0.120 0.000 2.270 42 V HA -0.213 3.907 4.120 0.000 0.000 0.245 42 V C 2.724 178.693 176.094 -0.208 0.000 1.043 42 V CA 2.017 64.215 62.300 -0.170 0.000 1.014 42 V CB -0.749 30.994 31.823 -0.133 0.000 0.645 42 V HN 0.467 nan 8.190 nan 0.000 0.447 43 R N -0.718 119.631 120.500 -0.251 0.000 2.092 43 R HA -0.130 4.210 4.340 0.000 0.000 0.231 43 R C 2.312 178.481 176.300 -0.218 0.000 1.119 43 R CA 1.685 57.560 56.100 -0.375 0.000 0.970 43 R CB -1.130 28.600 30.300 -0.950 0.000 0.864 43 R HN 0.494 nan 8.270 nan 0.000 0.440 44 C N 0.062 119.298 119.300 -0.105 0.000 2.446 44 C HA -0.017 4.443 4.460 0.000 0.000 0.277 44 C C 2.922 177.860 174.990 -0.087 0.000 1.275 44 C CA 0.725 59.729 59.018 -0.024 0.000 1.727 44 C CB -0.985 26.797 27.740 0.070 0.000 2.010 44 C HN 0.547 nan 8.230 nan 0.000 0.486 45 A N -0.045 122.628 122.820 -0.244 0.000 1.902 45 A HA -0.258 4.062 4.320 0.000 0.000 0.217 45 A C 2.058 179.519 177.584 -0.204 0.000 1.181 45 A CA 1.723 53.453 52.037 -0.512 0.000 0.623 45 A CB -0.692 17.739 19.000 -0.948 0.000 0.818 45 A HN 0.745 nan 8.150 nan 0.000 0.443 46 Q N -0.777 118.920 119.800 -0.172 0.000 2.096 46 Q HA -0.151 4.189 4.340 0.000 0.000 0.204 46 Q C 2.316 178.291 176.000 -0.041 0.000 0.982 46 Q CA 1.558 57.304 55.803 -0.095 0.000 0.850 46 Q CB -0.389 28.280 28.738 -0.115 0.000 0.901 46 Q HN 0.692 nan 8.270 nan 0.000 0.422 47 A N -0.091 122.703 122.820 -0.043 0.000 2.121 47 A HA -0.059 4.261 4.320 0.000 0.000 0.218 47 A C 1.765 179.351 177.584 0.004 0.000 1.154 47 A CA 0.899 52.929 52.037 -0.013 0.000 0.679 47 A CB -0.098 18.899 19.000 -0.004 0.000 0.795 47 A HN 0.290 nan 8.150 nan 0.000 0.458 48 L N -2.193 119.046 121.223 0.027 0.000 2.537 48 L HA 0.093 4.433 4.340 0.000 0.000 0.224 48 L C 2.230 179.118 176.870 0.031 0.000 1.065 48 L CA 0.535 55.371 54.840 -0.006 0.000 0.860 48 L CB -0.139 41.887 42.059 -0.056 0.000 1.086 48 L HN 0.477 nan 8.230 nan 0.000 0.482 49 E N 1.276 121.579 120.200 0.172 0.000 2.086 49 E HA -0.328 4.022 4.350 0.000 0.000 0.200 49 E C 2.119 178.751 176.600 0.053 0.000 1.012 49 E CA 1.763 58.273 56.400 0.183 0.000 0.812 49 E CB 0.053 29.852 29.700 0.164 0.000 0.743 49 E HN 0.476 nan 8.360 nan 0.000 0.453 50 A N 1.144 123.985 122.820 0.034 0.000 1.940 50 A HA -0.229 4.091 4.320 0.000 0.000 0.219 50 A C 1.746 179.342 177.584 0.019 0.000 1.176 50 A CA 1.988 54.039 52.037 0.024 0.000 0.631 50 A CB -0.437 18.576 19.000 0.021 0.000 0.814 50 A HN 0.587 nan 8.150 nan 0.000 0.446 51 E N -1.283 118.922 120.200 0.009 0.000 2.603 51 E HA 0.573 4.923 4.350 0.000 0.000 0.211 51 E C 0.169 176.798 176.600 0.047 0.000 0.995 51 E CA 0.126 56.547 56.400 0.036 0.000 0.990 51 E CB 0.223 29.959 29.700 0.061 0.000 1.036 51 E HN 0.414 nan 8.360 nan 0.000 0.475 52 A N 0.923 123.691 122.820 -0.087 0.000 2.325 52 A HA 0.277 4.597 4.320 0.000 0.000 0.333 52 A C 0.311 177.835 177.584 -0.100 0.000 1.155 52 A CA -0.635 51.267 52.037 -0.226 0.000 0.814 52 A CB 0.928 19.487 19.000 -0.735 0.000 1.206 52 A HN 0.087 nan 8.150 nan 0.000 0.482 53 D N 0.837 121.268 120.400 0.052 0.000 2.183 53 D HA 0.218 4.858 4.640 0.000 0.000 0.203 53 D C 0.935 177.311 176.300 0.126 0.000 0.969 53 D CA 1.973 56.068 54.000 0.159 0.000 0.842 53 D CB 0.408 41.365 40.800 0.262 0.000 0.957 53 D HN 0.844 nan 8.370 nan 0.000 0.484 54 G N -0.809 107.891 108.800 -0.167 0.000 2.320 54 G HA2 0.383 4.343 3.960 0.000 0.000 0.296 54 G HA3 0.383 4.343 3.960 0.000 0.000 0.296 54 G C -1.888 172.610 174.900 -0.670 0.000 1.306 54 G CA -0.943 43.947 45.100 -0.350 0.000 0.836 54 G HN -0.013 nan 8.290 nan 0.000 0.517 55 F N -0.084 119.808 119.950 -0.097 0.000 2.603 55 F HA 0.852 5.379 4.527 0.000 0.000 0.317 55 F C 0.488 176.215 175.800 -0.121 0.000 1.066 55 F CA -0.424 57.523 58.000 -0.087 0.000 0.941 55 F CB 2.700 41.641 39.000 -0.098 0.000 1.291 55 F HN 0.813 nan 8.300 nan 0.000 0.472 56 A N 1.431 124.326 122.820 0.124 0.000 2.356 56 A HA 0.889 5.209 4.320 0.000 0.000 0.310 56 A C -1.187 176.420 177.584 0.039 0.000 1.075 56 A CA -0.685 51.357 52.037 0.009 0.000 0.746 56 A CB 1.305 20.294 19.000 -0.019 0.000 1.221 56 A HN 0.960 nan 8.150 nan 0.000 0.443 57 V N -1.184 118.714 119.914 -0.027 0.000 3.141 57 V HA 0.892 5.012 4.120 0.000 0.000 0.312 57 V C 0.886 176.969 176.094 -0.019 0.000 1.157 57 V CA -0.076 62.215 62.300 -0.014 0.000 1.041 57 V CB 1.185 32.969 31.823 -0.065 0.000 1.071 57 V HN 1.454 nan 8.190 nan 0.000 0.441 58 A N 0.011 122.840 122.820 0.016 0.000 1.930 58 A HA 0.327 4.647 4.320 0.000 0.000 0.215 58 A C 1.124 178.775 177.584 0.111 0.000 1.176 58 A CA 1.448 53.514 52.037 0.050 0.000 0.632 58 A CB -0.706 18.332 19.000 0.062 0.000 0.819 58 A HN 1.840 nan 8.150 nan 0.000 0.445 59 C N -4.404 114.953 119.300 0.097 0.000 3.236 59 C HA 0.694 5.154 4.460 0.000 0.000 0.312 59 C C 1.395 176.408 174.990 0.038 0.000 1.374 59 C CA -0.491 58.654 59.018 0.212 0.000 1.455 59 C CB 0.615 28.508 27.740 0.256 0.000 1.834 59 C HN 0.478 nan 8.230 nan 0.000 0.460 60 I N 1.729 122.352 120.570 0.090 0.000 2.286 60 I HA -0.166 4.004 4.170 0.000 0.000 0.248 60 I C 2.664 178.739 176.117 -0.070 0.000 1.115 60 I CA 2.112 63.388 61.300 -0.040 0.000 1.392 60 I CB -0.059 38.006 38.000 0.108 0.000 1.065 60 I HN 0.883 nan 8.210 nan 0.000 0.418 61 E N 0.411 120.607 120.200 -0.006 0.000 2.153 61 E HA -0.283 4.067 4.350 0.000 0.000 0.194 61 E C 1.687 178.253 176.600 -0.056 0.000 0.988 61 E CA 1.297 57.683 56.400 -0.023 0.000 0.811 61 E CB -0.602 29.092 29.700 -0.010 0.000 0.746 61 E HN 0.651 nan 8.360 nan 0.000 0.466 62 E N 0.779 120.938 120.200 -0.068 0.000 2.208 62 E HA -0.023 4.327 4.350 0.000 0.000 0.193 62 E C 1.984 178.499 176.600 -0.142 0.000 0.988 62 E CA 0.819 57.170 56.400 -0.082 0.000 0.828 62 E CB 0.021 29.688 29.700 -0.055 0.000 0.763 62 E HN 0.372 nan 8.360 nan 0.000 0.478 63 A N 0.851 123.523 122.820 -0.245 0.000 1.903 63 A HA -0.045 4.275 4.320 0.000 0.000 0.213 63 A C 2.102 179.578 177.584 -0.179 0.000 1.185 63 A CA 0.486 52.278 52.037 -0.407 0.000 0.628 63 A CB -0.390 17.956 19.000 -1.090 0.000 0.830 63 A HN 0.107 nan 8.150 nan 0.000 0.446 64 L N -0.442 120.717 121.223 -0.107 0.000 2.131 64 L HA -0.207 4.133 4.340 0.000 0.000 0.210 64 L C 2.571 179.408 176.870 -0.056 0.000 1.092 64 L CA 1.743 56.565 54.840 -0.031 0.000 0.759 64 L CB -0.511 41.530 42.059 -0.030 0.000 0.903 64 L HN 0.583 nan 8.230 nan 0.000 0.435 65 E N 0.749 120.911 120.200 -0.064 0.000 2.118 65 E HA -0.224 4.126 4.350 0.000 0.000 0.195 65 E C 2.314 178.871 176.600 -0.072 0.000 0.992 65 E CA 1.094 57.457 56.400 -0.062 0.000 0.804 65 E CB 0.017 29.680 29.700 -0.062 0.000 0.741 65 E HN 0.498 nan 8.360 nan 0.000 0.458 66 L N 0.145 121.318 121.223 -0.083 0.000 2.072 66 L HA -0.107 4.233 4.340 0.000 0.000 0.205 66 L C 2.709 179.545 176.870 -0.057 0.000 1.079 66 L CA 0.604 55.384 54.840 -0.099 0.000 0.752 66 L CB -0.343 41.634 42.059 -0.137 0.000 0.906 66 L HN 0.024 nan 8.230 nan 0.000 0.436 67 R N 0.427 120.918 120.500 -0.015 0.000 2.115 67 R HA -0.045 4.295 4.340 0.000 0.000 0.230 67 R C 2.258 178.537 176.300 -0.036 0.000 1.111 67 R CA 1.345 57.433 56.100 -0.020 0.000 0.976 67 R CB -0.868 29.390 30.300 -0.070 0.000 0.870 67 R HN 0.330 nan 8.270 nan 0.000 0.445 68 A N 0.782 123.573 122.820 -0.049 0.000 2.015 68 A HA 0.032 4.352 4.320 0.000 0.000 0.219 68 A C 2.131 179.693 177.584 -0.036 0.000 1.163 68 A CA 1.511 53.526 52.037 -0.037 0.000 0.646 68 A CB -0.251 18.727 19.000 -0.038 0.000 0.806 68 A HN 0.304 nan 8.150 nan 0.000 0.448 69 A N -2.155 120.636 122.820 -0.050 0.000 2.178 69 A HA 0.426 4.746 4.320 0.000 0.000 0.211 69 A C 1.727 179.280 177.584 -0.052 0.000 1.157 69 A CA 1.244 53.247 52.037 -0.057 0.000 0.780 69 A CB -0.528 18.422 19.000 -0.082 0.000 0.828 69 A HN 1.775 nan 8.150 nan 0.000 0.476 70 G N -1.044 107.732 108.800 -0.041 0.000 2.163 70 G HA2 -0.146 3.814 3.960 0.000 0.000 0.213 70 G HA3 -0.146 3.814 3.960 0.000 0.000 0.213 70 G C -0.041 174.841 174.900 -0.029 0.000 0.991 70 G CA -0.057 45.026 45.100 -0.029 0.000 0.653 70 G HN 0.266 nan 8.290 nan 0.000 0.518 71 I N 2.181 122.723 120.570 -0.046 0.000 2.494 71 I HA 0.207 4.377 4.170 0.000 0.000 0.289 71 I C 1.580 177.695 176.117 -0.004 0.000 1.106 71 I CA 0.219 61.494 61.300 -0.042 0.000 1.369 71 I CB 0.695 38.621 38.000 -0.124 0.000 1.410 71 I HN 0.431 nan 8.210 nan 0.000 0.523 72 R N 5.020 125.528 120.500 0.013 0.000 2.509 72 R HA 0.384 4.724 4.340 0.000 0.000 0.300 72 R C 0.205 176.508 176.300 0.005 0.000 0.985 72 R CA -0.314 55.790 56.100 0.006 0.000 1.092 72 R CB -0.112 30.186 30.300 -0.003 0.000 1.237 72 R HN 0.450 nan 8.270 nan 0.000 0.546 73 A N 2.892 125.745 122.820 0.054 0.000 2.406 73 A HA 0.415 4.735 4.320 0.000 0.000 0.243 73 A C -2.151 175.396 177.584 -0.062 0.000 1.082 73 A CA -1.089 50.973 52.037 0.041 0.000 0.786 73 A CB -0.167 18.937 19.000 0.173 0.000 1.029 73 A HN 0.171 nan 8.150 nan 0.000 0.495 74 P HA 0.295 nan 4.420 nan 0.000 0.268 74 P C -0.944 176.078 177.300 -0.465 0.000 1.204 74 P CA 0.558 63.261 63.100 -0.662 0.000 0.768 74 P CB 0.295 31.238 31.700 -1.262 0.000 0.842 75 I N 3.099 123.419 120.570 -0.416 0.000 2.447 75 I HA 0.295 4.465 4.170 0.000 0.000 0.287 75 I C -0.417 175.566 176.117 -0.223 0.000 1.023 75 I CA -1.007 60.190 61.300 -0.173 0.000 1.083 75 I CB 1.747 39.751 38.000 0.007 0.000 1.245 75 I HN 0.142 nan 8.210 nan 0.000 0.434 76 L N 7.682 128.768 121.223 -0.229 0.000 2.275 76 L HA 0.484 4.824 4.340 0.000 0.000 0.288 76 L C -0.743 176.005 176.870 -0.203 0.000 1.046 76 L CA -0.104 54.589 54.840 -0.246 0.000 0.805 76 L CB 1.025 42.786 42.059 -0.497 0.000 1.193 76 L HN 0.452 nan 8.230 nan 0.000 0.426 77 L N 6.963 128.093 121.223 -0.154 0.000 2.334 77 L HA 0.176 4.516 4.340 0.000 0.000 0.286 77 L C 1.199 177.997 176.870 -0.120 0.000 1.108 77 L CA -0.181 54.578 54.840 -0.135 0.000 0.875 77 L CB 0.435 42.439 42.059 -0.092 0.000 1.246 77 L HN 0.791 nan 8.230 nan 0.000 0.439 78 L N 1.924 123.079 121.223 -0.114 0.000 2.127 78 L HA -0.178 4.162 4.340 0.000 0.000 0.211 78 L C 1.729 178.548 176.870 -0.086 0.000 1.089 78 L CA 1.560 56.338 54.840 -0.102 0.000 0.757 78 L CB -0.105 41.903 42.059 -0.085 0.000 0.899 78 L HN 0.679 nan 8.230 nan 0.000 0.434 79 E N -1.055 119.082 120.200 -0.104 0.000 2.498 79 E HA 0.208 4.558 4.350 0.000 0.000 0.203 79 E C 1.035 177.502 176.600 -0.222 0.000 1.013 79 E CA 0.311 56.627 56.400 -0.140 0.000 0.927 79 E CB 0.578 30.173 29.700 -0.175 0.000 1.012 79 E HN 0.426 nan 8.360 nan 0.000 0.482 80 G N 1.902 110.572 108.800 -0.216 0.000 2.562 80 G HA2 -0.318 3.642 3.960 0.000 0.000 0.250 80 G HA3 -0.318 3.642 3.960 0.000 0.000 0.250 80 G C -0.168 174.539 174.900 -0.322 0.000 1.269 80 G CA -0.108 44.842 45.100 -0.250 0.000 0.919 80 G HN 0.294 nan 8.290 nan 0.000 0.574 81 F N -0.935 118.873 119.950 -0.236 0.000 2.384 81 F HA 0.776 5.303 4.527 0.000 0.000 0.338 81 F C 0.981 176.711 175.800 -0.118 0.000 1.103 81 F CA -1.143 56.783 58.000 -0.124 0.000 1.157 81 F CB 0.563 39.569 39.000 0.011 0.000 1.167 81 F HN 0.221 nan 8.300 nan 0.000 0.529 82 F N -0.063 120.101 119.950 0.356 0.000 2.374 82 F HA 0.232 4.759 4.527 0.000 0.000 0.291 82 F C 0.871 176.947 175.800 0.460 0.000 1.084 82 F CA 0.315 58.536 58.000 0.369 0.000 1.413 82 F CB -0.001 39.128 39.000 0.216 0.000 1.099 82 F HN 0.455 nan 8.300 nan 0.000 0.534 83 E N -0.640 119.929 120.200 0.615 0.000 2.227 83 E HA 0.507 4.857 4.350 0.000 0.000 0.268 83 E C 0.569 177.452 176.600 0.472 0.000 0.907 83 E CA -0.280 56.401 56.400 0.468 0.000 0.786 83 E CB 1.979 31.846 29.700 0.279 0.000 1.191 83 E HN 0.011 nan 8.360 nan 0.000 0.411 84 A N 2.419 125.451 122.820 0.353 0.000 1.940 84 A HA -0.189 4.131 4.320 0.000 0.000 0.219 84 A C 1.395 178.948 177.584 -0.053 0.000 1.176 84 A CA 1.856 53.962 52.037 0.115 0.000 0.631 84 A CB -0.407 18.679 19.000 0.144 0.000 0.814 84 A HN 0.749 nan 8.150 nan 0.000 0.446 85 D N -0.401 120.023 120.400 0.039 0.000 2.332 85 D HA -0.046 4.594 4.640 0.000 0.000 0.244 85 D C 0.890 177.208 176.300 0.030 0.000 1.136 85 D CA 0.477 54.487 54.000 0.017 0.000 0.884 85 D CB -0.293 40.531 40.800 0.040 0.000 0.906 85 D HN 0.640 nan 8.370 nan 0.000 0.520 86 E N 0.083 120.303 120.200 0.034 0.000 2.385 86 E HA 0.053 4.403 4.350 0.000 0.000 0.194 86 E C 2.075 178.683 176.600 0.014 0.000 1.013 86 E CA -0.113 56.336 56.400 0.083 0.000 0.866 86 E CB 0.198 30.020 29.700 0.202 0.000 0.832 86 E HN 0.269 nan 8.360 nan 0.000 0.500 87 L N 1.622 122.760 121.223 -0.143 0.000 2.012 87 L HA -0.167 4.173 4.340 0.000 0.000 0.210 87 L C -0.574 176.266 176.870 -0.050 0.000 1.073 87 L CA 1.429 56.171 54.840 -0.164 0.000 0.748 87 L CB -1.365 40.520 42.059 -0.290 0.000 0.891 87 L HN 0.159 nan 8.230 nan 0.000 0.431 88 P HA -0.197 nan 4.420 nan 0.000 0.217 88 P C 1.826 179.126 177.300 0.001 0.000 1.148 88 P CA 1.582 64.669 63.100 -0.021 0.000 0.828 88 P CB 0.039 31.730 31.700 -0.015 0.000 0.783 89 L N -1.343 119.918 121.223 0.063 0.000 2.156 89 L HA -0.070 4.270 4.340 0.000 0.000 0.208 89 L C 2.716 179.696 176.870 0.184 0.000 1.095 89 L CA 0.959 55.892 54.840 0.155 0.000 0.770 89 L CB -0.662 41.538 42.059 0.234 0.000 0.914 89 L HN -0.153 nan 8.230 nan 0.000 0.439 90 I N -1.158 119.517 120.570 0.175 0.000 2.252 90 I HA -0.240 3.930 4.170 0.000 0.000 0.245 90 I C 2.378 178.511 176.117 0.027 0.000 1.102 90 I CA 0.937 62.366 61.300 0.214 0.000 1.385 90 I CB -0.287 37.848 38.000 0.224 0.000 1.064 90 I HN -0.013 nan 8.210 nan 0.000 0.414 91 V N 0.914 120.825 119.914 -0.006 0.000 2.295 91 V HA -0.289 3.831 4.120 0.000 0.000 0.246 91 V C 2.547 178.562 176.094 -0.133 0.000 1.049 91 V CA 2.252 64.525 62.300 -0.044 0.000 1.024 91 V CB -0.736 31.064 31.823 -0.037 0.000 0.648 91 V HN 0.472 nan 8.190 nan 0.000 0.447 92 E N 0.168 120.248 120.200 -0.199 0.000 2.085 92 E HA -0.251 4.099 4.350 0.000 0.000 0.194 92 E C 1.938 178.205 176.600 -0.554 0.000 0.994 92 E CA 1.840 58.016 56.400 -0.375 0.000 0.801 92 E CB -0.224 29.200 29.700 -0.460 0.000 0.743 92 E HN 0.748 nan 8.360 nan 0.000 0.453 93 H N -0.649 118.197 119.070 -0.373 0.000 2.549 93 H HA 0.141 4.697 4.556 0.000 0.000 0.279 93 H C -0.074 174.809 175.328 -0.741 0.000 1.018 93 H CA 0.667 56.336 56.048 -0.631 0.000 1.175 93 H CB 0.135 29.310 29.762 -0.977 0.000 1.485 93 H HN 0.231 nan 8.280 nan 0.000 0.543 94 D N 0.555 120.727 120.400 -0.379 0.000 2.737 94 D HA -0.212 4.428 4.640 0.000 0.000 0.238 94 D C -1.082 175.104 176.300 -0.189 0.000 1.157 94 D CA 0.197 54.080 54.000 -0.194 0.000 0.694 94 D CB -1.595 39.131 40.800 -0.123 0.000 1.021 94 D HN 0.041 nan 8.370 nan 0.000 0.420 95 F N 0.474 120.447 119.950 0.038 0.000 2.384 95 F HA 0.463 4.990 4.527 0.000 0.000 0.338 95 F C 0.780 176.669 175.800 0.149 0.000 1.103 95 F CA -0.867 57.131 58.000 -0.004 0.000 1.157 95 F CB 0.560 39.580 39.000 0.033 0.000 1.167 95 F HN -0.016 nan 8.300 nan 0.000 0.529 96 W N 2.741 124.112 121.300 0.120 0.000 2.287 96 W HA 0.389 5.049 4.660 0.000 0.000 0.313 96 W C -0.102 176.408 176.519 -0.016 0.000 1.267 96 W CA -1.376 55.980 57.345 0.018 0.000 1.201 96 W CB 0.955 30.310 29.460 -0.176 0.000 1.196 96 W HN 0.373 nan 8.180 nan 0.000 0.536 97 C N 4.729 124.202 119.300 0.288 0.000 2.379 97 C HA 0.687 5.148 4.460 0.000 0.000 0.323 97 C C -0.046 175.028 174.990 0.141 0.000 1.262 97 C CA -0.499 58.630 59.018 0.184 0.000 1.581 97 C CB 0.058 27.944 27.740 0.242 0.000 2.221 97 C HN 0.348 nan 8.230 nan 0.000 0.497 98 V N 6.679 126.622 119.914 0.048 0.000 2.546 98 V HA 0.352 4.472 4.120 0.000 0.000 0.284 98 V C 0.064 176.116 176.094 -0.070 0.000 1.050 98 V CA -0.132 62.201 62.300 0.055 0.000 0.981 98 V CB 1.590 33.435 31.823 0.037 0.000 0.990 98 V HN 0.706 nan 8.190 nan 0.000 0.474 99 V N 5.736 125.616 119.914 -0.057 0.000 2.313 99 V HA 0.317 4.437 4.120 0.000 0.000 0.278 99 V C 0.827 176.833 176.094 -0.147 0.000 1.017 99 V CA -0.419 61.742 62.300 -0.231 0.000 0.823 99 V CB 0.805 32.529 31.823 -0.165 0.000 1.010 99 V HN 1.059 nan 8.190 nan 0.000 0.443 100 H N 1.426 120.377 119.070 -0.198 0.000 2.705 100 H HA 0.406 4.962 4.556 0.000 0.000 0.269 100 H C 0.233 175.508 175.328 -0.088 0.000 0.998 100 H CA -0.243 55.746 56.048 -0.099 0.000 1.193 100 H CB 1.105 30.812 29.762 -0.091 0.000 1.485 100 H HN 0.507 nan 8.280 nan 0.000 0.521 101 S N 0.131 115.588 115.700 -0.405 0.000 2.579 101 S HA 0.295 4.765 4.470 0.000 0.000 0.272 101 S C 0.905 175.313 174.600 -0.320 0.000 1.141 101 S CA -0.750 57.315 58.200 -0.224 0.000 0.843 101 S CB 2.304 65.465 63.200 -0.066 0.000 1.122 101 S HN 0.133 nan 8.310 nan 0.000 0.468 102 L N 1.609 122.787 121.223 -0.074 0.000 2.201 102 L HA -0.075 4.265 4.340 0.000 0.000 0.212 102 L C 2.440 179.300 176.870 -0.017 0.000 1.105 102 L CA 1.191 56.014 54.840 -0.029 0.000 0.775 102 L CB -0.268 41.829 42.059 0.063 0.000 0.913 102 L HN 0.821 nan 8.230 nan 0.000 0.440 103 W N 0.390 121.677 121.300 -0.021 0.000 2.425 103 W HA -0.146 4.514 4.660 0.000 0.000 0.277 103 W C 1.688 178.213 176.519 0.011 0.000 1.231 103 W CA 0.448 57.792 57.345 -0.001 0.000 1.248 103 W CB -0.854 28.607 29.460 0.003 0.000 1.117 103 W HN 0.277 nan 8.180 nan 0.000 0.568 104 Q N 0.723 119.975 119.800 -0.914 0.000 2.123 104 Q HA -0.147 4.193 4.340 0.000 0.000 0.199 104 Q C 2.430 178.328 176.000 -0.170 0.000 0.966 104 Q CA 1.474 56.796 55.803 -0.803 0.000 0.845 104 Q CB -0.332 27.543 28.738 -1.439 0.000 0.907 104 Q HN 0.209 nan 8.270 nan 0.000 0.439 105 L N 1.227 122.337 121.223 -0.189 0.000 2.093 105 L HA -0.166 4.174 4.340 0.000 0.000 0.208 105 L C 1.247 178.119 176.870 0.003 0.000 1.085 105 L CA 1.920 56.719 54.840 -0.067 0.000 0.755 105 L CB -0.370 41.645 42.059 -0.072 0.000 0.904 105 L HN 0.052 nan 8.230 nan 0.000 0.435 106 D N -0.023 120.398 120.400 0.035 0.000 2.117 106 D HA -0.127 4.513 4.640 0.000 0.000 0.197 106 D C 2.234 178.588 176.300 0.090 0.000 0.987 106 D CA 1.503 55.546 54.000 0.072 0.000 0.829 106 D CB -0.220 40.647 40.800 0.112 0.000 0.961 106 D HN 0.497 nan 8.370 nan 0.000 0.460 107 A N 0.307 123.215 122.820 0.145 0.000 1.933 107 A HA -0.111 4.209 4.320 0.000 0.000 0.218 107 A C 2.290 179.896 177.584 0.036 0.000 1.175 107 A CA 0.906 53.030 52.037 0.145 0.000 0.628 107 A CB -0.595 18.589 19.000 0.306 0.000 0.814 107 A HN 0.219 nan 8.150 nan 0.000 0.444 108 I N -1.113 119.485 120.570 0.045 0.000 2.406 108 I HA -0.155 4.016 4.170 0.000 0.000 0.249 108 I C 2.447 178.556 176.117 -0.014 0.000 1.122 108 I CA 1.319 62.612 61.300 -0.011 0.000 1.431 108 I CB -0.264 37.749 38.000 0.021 0.000 1.087 108 I HN 0.428 nan 8.210 nan 0.000 0.424 109 E N 0.724 120.924 120.200 -0.000 0.000 2.150 109 E HA -0.236 4.114 4.350 0.000 0.000 0.193 109 E C 2.119 178.716 176.600 -0.004 0.000 0.985 109 E CA 1.072 57.467 56.400 -0.008 0.000 0.814 109 E CB 0.176 29.874 29.700 -0.004 0.000 0.752 109 E HN 0.526 nan 8.360 nan 0.000 0.466 110 Q N -0.338 119.466 119.800 0.006 0.000 2.250 110 Q HA 0.156 4.496 4.340 0.000 0.000 0.200 110 Q C 0.388 176.386 176.000 -0.004 0.000 0.941 110 Q CA 0.305 56.112 55.803 0.007 0.000 0.872 110 Q CB 0.513 29.266 28.738 0.024 0.000 0.965 110 Q HN 0.116 nan 8.270 nan 0.000 0.480 111 A N 0.965 123.775 122.820 -0.016 0.000 2.332 111 A HA 0.416 4.736 4.320 0.000 0.000 0.258 111 A C -0.337 177.230 177.584 -0.029 0.000 1.087 111 A CA -0.221 51.798 52.037 -0.029 0.000 0.802 111 A CB 0.449 19.415 19.000 -0.057 0.000 1.042 111 A HN 0.049 nan 8.150 nan 0.000 0.489 112 R N 0.214 120.697 120.500 -0.027 0.000 2.288 112 R HA 0.554 4.894 4.340 0.000 0.000 0.326 112 R C -1.402 174.881 176.300 -0.029 0.000 0.959 112 R CA -0.271 55.814 56.100 -0.025 0.000 0.834 112 R CB 0.689 30.978 30.300 -0.019 0.000 1.157 112 R HN 0.539 nan 8.270 nan 0.000 0.470 113 L N 1.855 123.061 121.223 -0.029 0.000 2.322 113 L HA 0.484 4.824 4.340 0.000 0.000 0.279 113 L C 1.288 178.144 176.870 -0.023 0.000 1.036 113 L CA 0.012 54.834 54.840 -0.030 0.000 0.807 113 L CB 1.657 43.699 42.059 -0.028 0.000 1.226 113 L HN 0.769 nan 8.230 nan 0.000 0.433 114 A N 3.006 125.811 122.820 -0.026 0.000 1.902 114 A HA -0.057 4.263 4.320 0.000 0.000 0.217 114 A C 0.751 178.325 177.584 -0.017 0.000 1.181 114 A CA 1.420 53.442 52.037 -0.024 0.000 0.623 114 A CB -0.155 18.825 19.000 -0.033 0.000 0.818 114 A HN 0.661 nan 8.150 nan 0.000 0.443 115 K N -0.637 119.756 120.400 -0.012 0.000 2.426 115 K HA 0.440 4.760 4.320 0.000 0.000 0.251 115 K C -3.040 173.569 176.600 0.015 0.000 0.941 115 K CA -2.309 53.979 56.287 0.003 0.000 0.808 115 K CB 2.234 34.738 32.500 0.007 0.000 1.265 115 K HN 0.011 nan 8.250 nan 0.000 0.432 116 P HA 0.125 nan 4.420 nan 0.000 0.272 116 P C -0.673 176.673 177.300 0.076 0.000 1.223 116 P CA -0.142 62.972 63.100 0.023 0.000 0.784 116 P CB 0.397 32.097 31.700 0.001 0.000 0.923 117 I N -2.069 118.550 120.570 0.083 0.000 2.846 117 I HA 0.472 4.642 4.170 0.000 0.000 0.307 117 I C 0.038 176.261 176.117 0.178 0.000 1.053 117 I CA -1.198 60.211 61.300 0.183 0.000 1.050 117 I CB 1.699 39.798 38.000 0.164 0.000 1.239 117 I HN 0.273 nan 8.210 nan 0.000 0.439 118 H N 2.943 122.072 119.070 0.098 0.000 2.722 118 H HA 0.397 4.953 4.556 0.000 0.000 0.328 118 H C -0.832 174.547 175.328 0.085 0.000 1.067 118 H CA -0.488 55.548 56.048 -0.020 0.000 1.447 118 H CB 1.931 31.492 29.762 -0.334 0.000 1.469 118 H HN 0.351 nan 8.280 nan 0.000 0.544 119 V N 4.637 124.614 119.914 0.105 0.000 2.417 119 V HA 0.027 4.147 4.120 0.000 0.000 0.291 119 V C -0.810 175.384 176.094 0.168 0.000 1.024 119 V CA -0.739 61.642 62.300 0.135 0.000 0.861 119 V CB 1.217 33.048 31.823 0.012 0.000 0.985 119 V HN 0.704 nan 8.190 nan 0.000 0.436 120 W N 5.905 127.177 121.300 -0.047 0.000 2.289 120 W HA 0.552 5.212 4.660 0.000 0.000 0.342 120 W C -0.041 176.483 176.519 0.008 0.000 0.958 120 W CA -0.646 56.677 57.345 -0.038 0.000 1.492 120 W CB 0.786 30.221 29.460 -0.042 0.000 1.336 120 W HN 0.394 nan 8.180 nan 0.000 0.371 124 D N 1.666 122.012 120.400 -0.089 0.000 2.374 124 D HA 0.187 4.827 4.640 0.000 0.000 0.240 124 D C 0.897 177.101 176.300 -0.161 0.000 1.229 124 D CA 0.327 54.274 54.000 -0.088 0.000 0.895 124 D CB 1.140 41.942 40.800 0.004 0.000 1.046 124 D HN 0.474 nan 8.370 nan 0.000 0.498 125 S N 1.971 117.563 115.700 -0.179 0.000 2.556 125 S HA 0.360 4.830 4.470 0.000 0.000 0.216 125 S C 1.395 175.874 174.600 -0.202 0.000 0.970 125 S CA 0.116 58.216 58.200 -0.166 0.000 0.912 125 S CB 0.668 63.794 63.200 -0.123 0.000 0.790 125 S HN 0.639 nan 8.310 nan 0.000 0.504 126 G N 0.838 109.438 108.800 -0.333 0.000 3.578 126 G HA2 -0.103 3.857 3.960 0.000 0.000 0.220 126 G HA3 -0.103 3.857 3.960 0.000 0.000 0.220 126 G C 0.555 175.126 174.900 -0.549 0.000 0.933 126 G CA 0.172 44.988 45.100 -0.473 0.000 0.847 126 G HN 0.294 nan 8.290 nan 0.000 0.612 127 M N 0.295 119.682 119.600 -0.356 0.000 2.288 127 M HA 0.173 4.653 4.480 0.000 0.000 0.266 127 M C 1.191 177.422 176.300 -0.115 0.000 1.072 127 M CA 1.601 56.791 55.300 -0.183 0.000 1.132 127 M CB -0.199 32.359 32.600 -0.069 0.000 1.386 127 M HN 0.332 nan 8.290 nan 0.000 0.432 128 H N -0.351 118.716 119.070 -0.004 0.000 2.839 128 H HA -0.188 4.368 4.556 0.000 0.000 0.298 128 H C 0.721 176.051 175.328 0.005 0.000 1.224 128 H CA 1.182 57.233 56.048 0.004 0.000 1.144 128 H CB -1.793 27.974 29.762 0.009 0.000 1.372 128 H HN 0.544 nan 8.280 nan 0.000 0.408 129 R N 0.331 120.874 120.500 0.073 0.000 1.769 129 R HA 0.358 4.698 4.340 0.000 0.000 0.141 129 R C 0.714 177.020 176.300 0.010 0.000 1.855 129 R CA 0.697 56.815 56.100 0.030 0.000 1.662 129 R CB 0.475 30.774 30.300 -0.002 0.000 1.064 129 R HN 0.084 nan 8.270 nan 0.000 0.499 130 V N -1.385 118.497 119.914 -0.053 0.000 2.769 130 V HA 0.904 5.024 4.120 0.000 0.000 0.312 130 V C -0.180 175.917 176.094 0.005 0.000 1.058 130 V CA -0.159 62.088 62.300 -0.089 0.000 0.952 130 V CB 1.071 32.630 31.823 -0.440 0.000 1.019 130 V HN 0.853 nan 8.190 nan 0.000 0.445 131 G N 1.827 110.692 108.800 0.107 0.000 2.317 131 G HA2 0.239 4.199 3.960 0.000 0.000 0.445 131 G HA3 0.239 4.199 3.960 0.000 0.000 0.445 131 G C -1.406 173.576 174.900 0.137 0.000 1.486 131 G CA -0.840 44.332 45.100 0.120 0.000 0.991 131 G HN 0.957 nan 8.290 nan 0.000 0.660 132 L N 1.525 122.836 121.223 0.147 0.000 2.439 132 L HA 0.417 4.757 4.340 0.000 0.000 0.261 132 L C 1.180 178.135 176.870 0.141 0.000 1.153 132 L CA -1.095 53.851 54.840 0.176 0.000 0.808 132 L CB 0.950 43.161 42.059 0.253 0.000 1.126 132 L HN 0.701 nan 8.230 nan 0.000 0.460 133 H N 2.492 121.619 119.070 0.094 0.000 2.764 133 H HA 0.072 4.628 4.556 0.000 0.000 0.341 133 H C -1.839 173.526 175.328 0.061 0.000 1.072 133 H CA -1.445 54.645 56.048 0.071 0.000 1.444 133 H CB 1.765 31.570 29.762 0.072 0.000 1.458 133 H HN 0.304 nan 8.280 nan 0.000 0.572 134 P HA -0.186 nan 4.420 nan 0.000 0.217 134 P C 0.959 178.367 177.300 0.179 0.000 1.148 134 P CA 1.278 64.359 63.100 -0.030 0.000 0.834 134 P CB 0.403 32.015 31.700 -0.148 0.000 0.783 135 N N -0.831 118.105 118.700 0.393 0.000 2.244 135 N HA -0.106 4.634 4.740 0.000 0.000 0.183 135 N C 0.969 176.585 175.510 0.176 0.000 1.016 135 N CA 1.178 54.377 53.050 0.249 0.000 0.866 135 N CB -0.650 37.945 38.487 0.181 0.000 0.980 135 N HN 0.232 nan 8.380 nan 0.000 0.430 136 D N -1.138 119.389 120.400 0.213 0.000 2.350 136 D HA -0.012 4.628 4.640 0.000 0.000 0.213 136 D C 1.469 177.883 176.300 0.190 0.000 1.031 136 D CA -0.038 54.060 54.000 0.163 0.000 0.861 136 D CB -0.091 40.800 40.800 0.153 0.000 0.926 136 D HN 0.329 nan 8.370 nan 0.000 0.520 137 Y N 1.811 122.147 120.300 0.060 0.000 2.114 137 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 137 Y C 2.483 178.406 175.900 0.037 0.000 1.143 137 Y CA 1.419 59.543 58.100 0.040 0.000 1.135 137 Y CB 0.340 38.803 38.460 0.006 0.000 0.980 137 Y HN -0.210 nan 8.280 nan 0.000 0.499 138 K N -0.023 120.417 120.400 0.067 0.000 2.097 138 K HA -0.188 4.132 4.320 0.000 0.000 0.206 138 K C 2.138 178.751 176.600 0.021 0.000 1.049 138 K CA 1.065 57.342 56.287 -0.018 0.000 0.933 138 K CB -0.281 32.215 32.500 -0.007 0.000 0.717 138 K HN 0.376 nan 8.250 nan 0.000 0.442 139 A N 0.937 123.778 122.820 0.036 0.000 1.898 139 A HA -0.079 4.241 4.320 0.000 0.000 0.216 139 A C 2.278 179.872 177.584 0.017 0.000 1.181 139 A CA 1.764 53.819 52.037 0.031 0.000 0.620 139 A CB -0.680 18.341 19.000 0.035 0.000 0.819 139 A HN 0.447 nan 8.150 nan 0.000 0.442 140 A N -1.744 121.082 122.820 0.009 0.000 1.969 140 A HA -0.070 4.250 4.320 0.000 0.000 0.218 140 A C 2.093 179.643 177.584 -0.057 0.000 1.169 140 A CA 1.511 53.534 52.037 -0.023 0.000 0.635 140 A CB -0.740 18.251 19.000 -0.015 0.000 0.810 140 A HN 0.711 nan 8.150 nan 0.000 0.445 141 Y N 0.511 120.688 120.300 -0.205 0.000 2.181 141 Y HA -0.244 4.306 4.550 0.000 0.000 0.288 141 Y C 2.486 178.301 175.900 -0.143 0.000 1.146 141 Y CA 2.365 60.332 58.100 -0.221 0.000 1.164 141 Y CB -0.241 38.048 38.460 -0.285 0.000 0.982 141 Y HN 0.417 nan 8.280 nan 0.000 0.515 142 Q N -0.400 119.414 119.800 0.023 0.000 2.167 142 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 142 Q C 2.253 178.197 176.000 -0.094 0.000 0.970 142 Q CA 1.271 57.057 55.803 -0.028 0.000 0.855 142 Q CB -0.085 28.674 28.738 0.034 0.000 0.911 142 Q HN 0.475 nan 8.270 nan 0.000 0.438 143 R N 0.038 120.489 120.500 -0.082 0.000 2.115 143 R HA -0.049 4.291 4.340 0.000 0.000 0.226 143 R C 2.091 178.321 176.300 -0.116 0.000 1.100 143 R CA 0.825 56.878 56.100 -0.078 0.000 0.980 143 R CB -0.053 30.217 30.300 -0.050 0.000 0.875 143 R HN 0.211 nan 8.270 nan 0.000 0.445 144 L N 0.097 121.214 121.223 -0.177 0.000 2.095 144 L HA -0.119 4.221 4.340 0.000 0.000 0.204 144 L C 2.688 179.402 176.870 -0.261 0.000 1.080 144 L CA 1.129 55.842 54.840 -0.212 0.000 0.759 144 L CB -0.329 41.576 42.059 -0.257 0.000 0.914 144 L HN 0.211 nan 8.230 nan 0.000 0.439 145 Q N 0.347 119.931 119.800 -0.359 0.000 2.084 145 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 145 Q C 1.348 177.238 176.000 -0.184 0.000 0.978 145 Q CA 1.530 57.134 55.803 -0.332 0.000 0.844 145 Q CB 0.019 28.528 28.738 -0.382 0.000 0.898 145 Q HN 0.487 nan 8.270 nan 0.000 0.426 146 A N -0.252 122.485 122.820 -0.139 0.000 3.012 146 A HA 0.217 4.537 4.320 0.000 0.000 0.295 146 A C 0.931 178.469 177.584 -0.077 0.000 1.338 146 A CA 0.091 52.075 52.037 -0.090 0.000 0.981 146 A CB 0.167 19.128 19.000 -0.065 0.000 1.091 146 A HN 0.268 nan 8.150 nan 0.000 0.602 147 S N -0.634 115.013 115.700 -0.088 0.000 2.545 147 S HA 0.376 4.846 4.470 0.000 0.000 0.232 147 S C 1.502 176.067 174.600 -0.057 0.000 1.070 147 S CA 1.405 59.563 58.200 -0.069 0.000 0.923 147 S CB -0.035 63.119 63.200 -0.077 0.000 0.806 147 S HN 1.957 nan 8.310 nan 0.000 0.506 148 A N 1.085 123.866 122.820 -0.064 0.000 3.829 148 A HA -0.236 4.084 4.320 0.000 0.000 0.264 148 A C 1.129 178.686 177.584 -0.045 0.000 0.998 148 A CA 1.560 53.566 52.037 -0.052 0.000 1.270 148 A CB -2.667 16.309 19.000 -0.039 0.000 1.063 148 A HN 0.673 nan 8.150 nan 0.000 0.879 149 N N -0.812 117.860 118.700 -0.047 0.000 2.353 149 N HA 0.244 4.984 4.740 0.000 0.000 0.185 149 N C -0.292 175.195 175.510 -0.038 0.000 1.098 149 N CA 0.812 53.840 53.050 -0.036 0.000 0.872 149 N CB 0.458 38.925 38.487 -0.034 0.000 0.970 149 N HN 0.419 nan 8.380 nan 0.000 0.467 150 V N 0.808 120.682 119.914 -0.067 0.000 2.448 150 V HA 0.377 4.497 4.120 0.000 0.000 0.295 150 V C 0.587 176.605 176.094 -0.126 0.000 1.025 150 V CA -0.398 61.846 62.300 -0.093 0.000 0.859 150 V CB 1.425 33.168 31.823 -0.134 0.000 0.988 150 V HN 0.038 nan 8.190 nan 0.000 0.431 151 A N 4.384 127.114 122.820 -0.150 0.000 1.901 151 A HA 0.293 4.613 4.320 0.000 0.000 0.210 151 A C 0.931 178.316 177.584 -0.332 0.000 1.208 151 A CA 0.766 52.683 52.037 -0.200 0.000 0.644 151 A CB 0.260 19.173 19.000 -0.146 0.000 0.863 151 A HN 0.632 nan 8.150 nan 0.000 0.454 152 K N -0.354 119.737 120.400 -0.515 0.000 2.502 152 K HA 0.664 4.984 4.320 0.000 0.000 0.257 152 K C -2.037 174.324 176.600 -0.399 0.000 0.938 152 K CA -0.567 55.405 56.287 -0.525 0.000 0.819 152 K CB 1.651 33.642 32.500 -0.848 0.000 1.333 152 K HN 0.246 nan 8.250 nan 0.000 0.434 153 I N 3.375 123.760 120.570 -0.309 0.000 2.418 153 I HA 0.310 4.480 4.170 0.000 0.000 0.287 153 I C -0.720 175.230 176.117 -0.278 0.000 1.008 153 I CA -1.149 59.997 61.300 -0.257 0.000 1.104 153 I CB 1.962 39.822 38.000 -0.234 0.000 1.264 153 I HN 0.166 nan 8.210 nan 0.000 0.438 154 V N 7.016 126.648 119.914 -0.470 0.000 2.459 154 V HA 0.426 4.546 4.120 0.000 0.000 0.295 154 V C 0.024 175.922 176.094 -0.326 0.000 1.029 154 V CA -0.649 61.264 62.300 -0.645 0.000 0.874 154 V CB 1.915 32.714 31.823 -1.707 0.000 0.985 154 V HN 0.472 nan 8.190 nan 0.000 0.438 155 L N 6.443 127.607 121.223 -0.099 0.000 2.265 155 L HA 0.677 5.017 4.340 0.000 0.000 0.288 155 L C -0.020 176.992 176.870 0.236 0.000 1.058 155 L CA -0.053 54.906 54.840 0.198 0.000 0.809 155 L CB 0.931 43.178 42.059 0.314 0.000 1.179 155 L HN 0.749 nan 8.230 nan 0.000 0.429 156 M N 1.943 121.696 119.600 0.256 0.000 2.658 156 M HA 0.854 5.334 4.480 0.000 0.000 0.295 156 M C -0.767 175.503 176.300 -0.050 0.000 1.248 156 M CA -0.391 54.949 55.300 0.067 0.000 0.843 156 M CB 2.494 35.215 32.600 0.202 0.000 1.749 156 M HN 0.404 nan 8.290 nan 0.000 0.464 157 S N -0.998 114.524 115.700 -0.296 0.000 2.643 157 S HA 0.527 4.997 4.470 0.000 0.000 0.270 157 S C -2.147 172.263 174.600 -0.317 0.000 1.166 157 S CA -0.635 57.373 58.200 -0.320 0.000 0.815 157 S CB 1.845 64.740 63.200 -0.509 0.000 1.139 157 S HN 0.969 nan 8.310 nan 0.000 0.472 158 H N 0.521 119.334 119.070 -0.427 0.000 2.806 158 H HA 0.509 5.066 4.556 0.000 0.000 0.367 158 H C -1.545 173.543 175.328 -0.399 0.000 1.136 158 H CA -0.515 55.294 56.048 -0.399 0.000 1.178 158 H CB 0.960 30.612 29.762 -0.183 0.000 1.718 158 H HN 0.451 nan 8.280 nan 0.000 0.540 159 F N 1.639 121.248 119.950 -0.568 0.000 2.384 159 F HA 0.281 4.808 4.527 0.000 0.000 0.338 159 F C 1.228 176.789 175.800 -0.399 0.000 1.103 159 F CA 0.017 57.754 58.000 -0.438 0.000 1.157 159 F CB 1.371 40.121 39.000 -0.417 0.000 1.167 159 F HN 0.662 nan 8.300 nan 0.000 0.529 160 A N 3.051 125.855 122.820 -0.027 0.000 1.911 160 A HA 0.135 4.455 4.320 0.000 0.000 0.212 160 A C 1.404 178.968 177.584 -0.033 0.000 1.189 160 A CA 0.554 52.566 52.037 -0.042 0.000 0.639 160 A CB -0.000 18.976 19.000 -0.039 0.000 0.839 160 A HN 0.747 nan 8.150 nan 0.000 0.449 161 R N -0.915 119.562 120.500 -0.039 0.000 2.727 161 R HA 0.388 4.728 4.340 0.000 0.000 0.410 161 R C 0.992 177.288 176.300 -0.008 0.000 1.101 161 R CA 0.451 56.543 56.100 -0.014 0.000 1.045 161 R CB 0.473 30.771 30.300 -0.003 0.000 1.380 161 R HN 0.348 nan 8.270 nan 0.000 0.587 162 A N 1.525 124.311 122.820 -0.057 0.000 2.067 162 A HA -0.169 4.151 4.320 0.000 0.000 0.219 162 A C 1.653 179.454 177.584 0.362 0.000 1.158 162 A CA 1.451 53.455 52.037 -0.055 0.000 0.661 162 A CB -0.115 18.761 19.000 -0.207 0.000 0.801 162 A HN 0.433 nan 8.150 nan 0.000 0.452 163 D N 0.334 120.881 120.400 0.244 0.000 2.347 163 D HA -0.088 4.552 4.640 0.000 0.000 0.215 163 D C 0.044 176.600 176.300 0.426 0.000 0.976 163 D CA 0.381 54.564 54.000 0.305 0.000 0.884 163 D CB -0.335 40.529 40.800 0.107 0.000 0.915 163 D HN 0.555 nan 8.370 nan 0.000 0.526 164 E N 0.644 121.032 120.200 0.313 0.000 2.014 164 E HA 0.250 4.600 4.350 0.000 0.000 0.275 164 E C 0.835 177.604 176.600 0.280 0.000 0.997 164 E CA -0.294 56.250 56.400 0.240 0.000 0.804 164 E CB 1.674 31.466 29.700 0.153 0.000 1.090 164 E HN 0.164 nan 8.360 nan 0.000 0.401 165 L N 2.049 123.346 121.223 0.123 0.000 2.217 165 L HA -0.129 4.212 4.340 0.000 0.000 0.211 165 L C 1.337 178.160 176.870 -0.078 0.000 1.107 165 L CA 0.915 55.689 54.840 -0.109 0.000 0.783 165 L CB -0.029 41.808 42.059 -0.371 0.000 0.919 165 L HN 0.436 nan 8.230 nan 0.000 0.442 166 D N -1.036 119.364 120.400 -0.001 0.000 2.224 166 D HA -0.080 4.560 4.640 0.000 0.000 0.205 166 D C 0.896 177.242 176.300 0.076 0.000 0.965 166 D CA 0.411 54.418 54.000 0.011 0.000 0.852 166 D CB 0.117 40.920 40.800 0.006 0.000 0.947 166 D HN 0.233 nan 8.370 nan 0.000 0.494 167 C N 0.790 120.170 119.300 0.133 0.000 2.601 167 C HA 0.265 4.725 4.460 0.000 0.000 0.409 167 C C 1.879 176.980 174.990 0.186 0.000 1.293 167 C CA 0.114 59.209 59.018 0.129 0.000 2.101 167 C CB 0.256 28.057 27.740 0.102 0.000 2.639 167 C HN 0.455 nan 8.230 nan 0.000 0.592 168 T N 1.840 116.455 114.554 0.102 0.000 3.145 168 T HA 0.104 4.454 4.350 0.000 0.000 0.255 168 T C 1.494 176.180 174.700 -0.023 0.000 1.039 168 T CA -0.092 62.056 62.100 0.081 0.000 0.928 168 T CB -0.304 68.603 68.868 0.065 0.000 1.029 168 T HN 0.721 nan 8.240 nan 0.000 0.554 169 R N 2.083 122.553 120.500 -0.051 0.000 2.096 169 R HA 0.052 4.392 4.340 0.000 0.000 0.235 169 R C 2.299 178.489 176.300 -0.184 0.000 1.127 169 R CA 1.600 57.647 56.100 -0.088 0.000 0.968 169 R CB -1.069 29.194 30.300 -0.063 0.000 0.861 169 R HN 0.390 nan 8.270 nan 0.000 0.440 170 S N -0.656 114.791 115.700 -0.421 0.000 2.382 170 S HA -0.088 4.382 4.470 0.000 0.000 0.228 170 S C 1.862 176.169 174.600 -0.489 0.000 1.027 170 S CA 1.301 59.029 58.200 -0.786 0.000 0.991 170 S CB -0.182 61.912 63.200 -1.843 0.000 0.823 170 S HN 0.151 nan 8.310 nan 0.000 0.469 171 V N 1.820 121.536 119.914 -0.330 0.000 2.427 171 V HA -0.152 3.968 4.120 0.000 0.000 0.248 171 V C 2.279 178.348 176.094 -0.042 0.000 1.051 171 V CA 1.543 63.775 62.300 -0.114 0.000 1.048 171 V CB -0.645 31.172 31.823 -0.009 0.000 0.666 171 V HN 0.477 nan 8.190 nan 0.000 0.456 172 E N -0.227 119.945 120.200 -0.046 0.000 2.077 172 E HA -0.251 4.099 4.350 0.000 0.000 0.193 172 E C 2.355 178.954 176.600 -0.002 0.000 0.989 172 E CA 1.268 57.658 56.400 -0.018 0.000 0.800 172 E CB -0.136 29.550 29.700 -0.023 0.000 0.746 172 E HN 0.656 nan 8.360 nan 0.000 0.452 173 Q N 0.154 119.958 119.800 0.007 0.000 2.119 173 Q HA -0.108 4.232 4.340 0.000 0.000 0.201 173 Q C 2.352 178.411 176.000 0.099 0.000 0.972 173 Q CA 0.992 56.823 55.803 0.045 0.000 0.847 173 Q CB 0.156 28.960 28.738 0.110 0.000 0.903 173 Q HN 0.172 nan 8.270 nan 0.000 0.433 174 V N 0.888 120.887 119.914 0.141 0.000 2.358 174 V HA -0.244 3.876 4.120 0.000 0.000 0.246 174 V C 2.272 178.451 176.094 0.143 0.000 1.047 174 V CA 1.764 64.168 62.300 0.173 0.000 1.035 174 V CB -0.874 31.038 31.823 0.149 0.000 0.658 174 V HN 0.356 nan 8.190 nan 0.000 0.452 175 A N -0.281 122.584 122.820 0.075 0.000 1.933 175 A HA -0.148 4.172 4.320 0.000 0.000 0.218 175 A C 2.385 179.984 177.584 0.025 0.000 1.175 175 A CA 2.020 54.083 52.037 0.042 0.000 0.628 175 A CB -0.599 18.415 19.000 0.022 0.000 0.814 175 A HN 0.337 nan 8.150 nan 0.000 0.444 176 V N -1.354 118.574 119.914 0.024 0.000 2.358 176 V HA -0.192 3.928 4.120 0.000 0.000 0.246 176 V C 2.245 178.331 176.094 -0.014 0.000 1.047 176 V CA 1.989 64.282 62.300 -0.011 0.000 1.035 176 V CB -0.853 30.949 31.823 -0.035 0.000 0.658 176 V HN 0.653 nan 8.190 nan 0.000 0.452 177 F N 0.255 120.136 119.950 -0.116 0.000 2.113 177 F HA -0.154 4.373 4.527 0.000 0.000 0.297 177 F C 1.989 177.739 175.800 -0.082 0.000 1.103 177 F CA 1.584 59.498 58.000 -0.142 0.000 1.248 177 F CB -0.313 38.603 39.000 -0.139 0.000 0.999 177 F HN 0.043 nan 8.300 nan 0.000 0.475 178 L N 0.858 122.026 121.223 -0.092 0.000 2.042 178 L HA -0.087 4.253 4.340 0.000 0.000 0.210 178 L C 2.814 179.576 176.870 -0.180 0.000 1.076 178 L CA 2.043 56.784 54.840 -0.164 0.000 0.749 178 L CB -1.821 40.237 42.059 -0.003 0.000 0.893 178 L HN 0.321 nan 8.230 nan 0.000 0.432 179 G N -1.544 107.188 108.800 -0.114 0.000 2.422 179 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 179 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 179 G C 1.584 176.419 174.900 -0.109 0.000 1.146 179 G CA 0.752 45.798 45.100 -0.089 0.000 0.769 179 G HN 0.507 nan 8.290 nan 0.000 0.547 180 A N 0.773 123.503 122.820 -0.151 0.000 2.072 180 A HA 0.200 4.520 4.320 0.000 0.000 0.216 180 A C 2.269 179.801 177.584 -0.087 0.000 1.156 180 A CA 1.620 53.593 52.037 -0.107 0.000 0.701 180 A CB -0.123 18.788 19.000 -0.149 0.000 0.816 180 A HN 0.470 nan 8.150 nan 0.000 0.458 181 R N -0.518 119.830 120.500 -0.254 0.000 2.225 181 R HA 0.483 4.823 4.340 0.000 0.000 0.194 181 R C 0.938 177.088 176.300 -0.249 0.000 0.957 181 R CA 0.733 56.664 56.100 -0.282 0.000 1.042 181 R CB -0.870 29.096 30.300 -0.556 0.000 1.004 181 R HN 0.173 nan 8.270 nan 0.000 0.509 182 A N 1.414 124.111 122.820 -0.205 0.000 2.584 182 A HA 0.163 4.483 4.320 0.000 0.000 0.239 182 A C 0.108 177.611 177.584 -0.135 0.000 1.043 182 A CA 1.101 53.049 52.037 -0.148 0.000 0.756 182 A CB -0.424 18.513 19.000 -0.105 0.000 0.963 182 A HN 0.725 nan 8.150 nan 0.000 0.511 183 D N -0.549 119.776 120.400 -0.125 0.000 1.959 183 D HA -0.170 4.470 4.640 0.000 0.000 0.238 183 D C -0.258 175.951 176.300 -0.153 0.000 1.038 183 D CA 1.285 55.216 54.000 -0.115 0.000 1.454 183 D CB -1.706 39.032 40.800 -0.102 0.000 1.425 183 D HN 0.571 nan 8.370 nan 0.000 0.702 184 L N 1.400 122.478 121.223 -0.242 0.000 2.367 184 L HA 0.393 4.733 4.340 0.000 0.000 0.275 184 L C 0.599 177.313 176.870 -0.259 0.000 1.129 184 L CA 0.355 54.975 54.840 -0.366 0.000 0.839 184 L CB 1.278 42.896 42.059 -0.736 0.000 1.133 184 L HN 0.169 nan 8.230 nan 0.000 0.453 185 T N 2.994 117.447 114.554 -0.168 0.000 2.762 185 T HA 0.696 5.046 4.350 0.000 0.000 0.303 185 T C -0.369 174.309 174.700 -0.037 0.000 0.977 185 T CA -0.262 61.791 62.100 -0.079 0.000 0.961 185 T CB 0.149 68.995 68.868 -0.036 0.000 0.944 185 T HN 0.782 nan 8.240 nan 0.000 0.481 186 A N 4.265 127.056 122.820 -0.048 0.000 2.601 186 A HA 0.607 4.927 4.320 0.000 0.000 0.291 186 A C -0.748 176.826 177.584 -0.016 0.000 1.075 186 A CA -0.955 51.072 52.037 -0.017 0.000 0.671 186 A CB 1.008 20.018 19.000 0.017 0.000 1.277 186 A HN 0.726 nan 8.150 nan 0.000 0.417 187 E N 0.310 120.496 120.200 -0.022 0.000 2.398 187 E HA 0.399 4.749 4.350 0.000 0.000 0.263 187 E C -0.287 176.313 176.600 0.000 0.000 1.046 187 E CA 0.219 56.627 56.400 0.014 0.000 0.908 187 E CB 0.753 30.494 29.700 0.068 0.000 0.963 187 E HN 0.563 nan 8.360 nan 0.000 0.431 188 I N -1.622 118.997 120.570 0.082 0.000 2.740 188 I HA 0.628 4.798 4.170 0.000 0.000 0.303 188 I C -0.511 175.666 176.117 0.101 0.000 1.044 188 I CA -0.763 60.612 61.300 0.126 0.000 1.064 188 I CB 2.273 40.445 38.000 0.287 0.000 1.249 188 I HN 0.205 nan 8.210 nan 0.000 0.433 189 S N 4.077 119.795 115.700 0.029 0.000 2.677 189 S HA 0.682 5.152 4.470 0.000 0.000 0.283 189 S C -0.268 174.273 174.600 -0.099 0.000 1.159 189 S CA -0.539 57.715 58.200 0.091 0.000 1.001 189 S CB 1.290 64.666 63.200 0.293 0.000 1.032 189 S HN 0.814 nan 8.310 nan 0.000 0.487 190 L N 3.261 124.422 121.223 -0.104 0.000 2.860 190 L HA 0.426 4.766 4.340 0.000 0.000 0.251 190 L C 0.550 177.319 176.870 -0.168 0.000 1.041 190 L CA -0.228 54.411 54.840 -0.336 0.000 0.985 190 L CB 0.122 41.925 42.059 -0.427 0.000 1.656 190 L HN 0.414 nan 8.230 nan 0.000 0.526 191 R N 2.510 123.067 120.500 0.096 0.000 2.298 191 R HA 0.174 4.514 4.340 0.000 0.000 0.310 191 R C -0.462 175.968 176.300 0.217 0.000 1.068 191 R CA -0.285 55.959 56.100 0.240 0.000 0.957 191 R CB 0.398 30.836 30.300 0.230 0.000 1.003 191 R HN 0.260 nan 8.270 nan 0.000 0.454 192 N N 0.552 119.402 118.700 0.249 0.000 2.643 192 N HA 0.157 4.897 4.740 0.000 0.000 0.305 192 N C 0.433 176.065 175.510 0.204 0.000 1.283 192 N CA -0.811 52.382 53.050 0.238 0.000 0.946 192 N CB -0.020 38.632 38.487 0.276 0.000 1.149 192 N HN 0.173 nan 8.380 nan 0.000 0.600 193 S N 0.297 116.108 115.700 0.185 0.000 2.369 193 S HA -0.108 4.362 4.470 0.000 0.000 0.225 193 S C -1.037 173.628 174.600 0.109 0.000 1.043 193 S CA 2.029 60.301 58.200 0.120 0.000 1.074 193 S CB -1.274 61.983 63.200 0.095 0.000 0.962 193 S HN 0.632 nan 8.310 nan 0.000 0.433 194 P HA 0.072 nan 4.420 nan 0.000 0.219 194 P C 1.241 178.814 177.300 0.455 0.000 1.150 194 P CA 1.287 64.469 63.100 0.138 0.000 0.814 194 P CB -0.107 31.649 31.700 0.093 0.000 0.787 195 A N -0.723 122.312 122.820 0.358 0.000 2.014 195 A HA -0.066 4.254 4.320 0.000 0.000 0.218 195 A C 2.246 180.027 177.584 0.328 0.000 1.163 195 A CA 1.191 53.459 52.037 0.384 0.000 0.652 195 A CB -1.513 17.621 19.000 0.223 0.000 0.808 195 A HN 0.018 nan 8.150 nan 0.000 0.449 196 V N -0.062 119.997 119.914 0.242 0.000 2.323 196 V HA -0.205 3.915 4.120 0.000 0.000 0.244 196 V C 2.493 178.680 176.094 0.155 0.000 1.041 196 V CA 1.920 64.319 62.300 0.165 0.000 1.025 196 V CB -0.639 31.249 31.823 0.109 0.000 0.656 196 V HN 0.563 nan 8.190 nan 0.000 0.451 197 L N 0.054 121.399 121.223 0.203 0.000 2.131 197 L HA 0.125 4.465 4.340 0.000 0.000 0.206 197 L C 1.981 178.939 176.870 0.147 0.000 1.087 197 L CA 1.541 56.502 54.840 0.200 0.000 0.767 197 L CB -0.450 41.797 42.059 0.312 0.000 0.917 197 L HN 0.465 nan 8.230 nan 0.000 0.441 198 G N -2.681 106.225 108.800 0.177 0.000 3.979 198 G HA2 0.119 4.079 3.960 0.000 0.000 0.287 198 G HA3 0.119 4.079 3.960 0.000 0.000 0.287 198 G C -0.735 173.912 174.900 -0.422 0.000 1.011 198 G CA -0.339 44.662 45.100 -0.164 0.000 0.818 198 G HN 0.189 nan 8.290 nan 0.000 0.470 199 W N 1.374 122.675 121.300 0.003 0.000 2.104 199 W HA 0.354 5.014 4.660 0.000 0.000 0.291 199 W C -1.685 174.824 176.519 -0.016 0.000 0.936 199 W CA -1.819 55.502 57.345 -0.040 0.000 1.856 199 W CB 2.018 31.418 29.460 -0.099 0.000 2.036 199 W HN -0.031 nan 8.180 nan 0.000 0.393 200 P HA -0.192 nan 4.420 nan 0.000 0.218 200 P C 1.359 178.715 177.300 0.094 0.000 1.149 200 P CA 1.449 64.595 63.100 0.077 0.000 0.817 200 P CB 0.310 32.018 31.700 0.014 0.000 0.785 201 R N 0.056 120.623 120.500 0.112 0.000 2.449 201 R HA 0.203 4.543 4.340 0.000 0.000 0.262 201 R C -0.395 175.979 176.300 0.123 0.000 1.006 201 R CA -0.136 56.025 56.100 0.100 0.000 1.104 201 R CB -0.959 29.389 30.300 0.081 0.000 1.206 201 R HN 0.015 nan 8.270 nan 0.000 0.538 202 V N 4.324 124.329 119.914 0.151 0.000 2.407 202 V HA 0.300 4.420 4.120 0.000 0.000 0.278 202 V C -1.875 174.301 176.094 0.137 0.000 1.037 202 V CA -1.965 60.426 62.300 0.151 0.000 0.900 202 V CB 1.759 33.682 31.823 0.167 0.000 0.983 202 V HN 0.242 nan 8.190 nan 0.000 0.459 203 P HA 0.394 nan 4.420 nan 0.000 0.275 203 P C -0.676 176.687 177.300 0.105 0.000 1.228 203 P CA -0.256 62.909 63.100 0.108 0.000 0.786 203 P CB 1.203 32.973 31.700 0.118 0.000 0.927 204 S N 1.123 116.876 115.700 0.089 0.000 2.582 204 S HA 0.099 4.569 4.470 0.000 0.000 0.296 204 S C 0.167 174.809 174.600 0.071 0.000 1.118 204 S CA -0.557 57.701 58.200 0.095 0.000 0.947 204 S CB 0.878 64.146 63.200 0.114 0.000 1.131 204 S HN 0.423 nan 8.310 nan 0.000 0.453 205 D N 0.906 121.355 120.400 0.083 0.000 2.194 205 D HA 0.008 4.648 4.640 0.000 0.000 0.204 205 D C -0.240 175.990 176.300 -0.117 0.000 0.964 205 D CA 1.151 55.143 54.000 -0.013 0.000 0.846 205 D CB 0.322 41.142 40.800 0.034 0.000 0.962 205 D HN 0.485 nan 8.370 nan 0.000 0.490 206 W N 1.286 122.636 121.300 0.085 0.000 2.538 206 W HA 0.343 5.003 4.660 0.000 0.000 0.322 206 W C -0.260 176.358 176.519 0.165 0.000 1.028 206 W CA -0.907 56.544 57.345 0.176 0.000 1.228 206 W CB 1.309 30.978 29.460 0.348 0.000 1.356 206 W HN -0.357 nan 8.180 nan 0.000 0.452 207 V N 1.189 121.298 119.914 0.324 0.000 2.716 207 V HA 0.669 4.789 4.120 0.000 0.000 0.304 207 V C -0.020 176.238 176.094 0.273 0.000 1.053 207 V CA -1.385 61.060 62.300 0.243 0.000 0.984 207 V CB 1.711 33.613 31.823 0.132 0.000 1.021 207 V HN 0.619 nan 8.190 nan 0.000 0.467 208 R N 3.068 123.707 120.500 0.231 0.000 2.724 208 R HA 0.394 4.734 4.340 0.000 0.000 0.284 208 R C -2.775 173.632 176.300 0.178 0.000 1.481 208 R CA -1.475 54.751 56.100 0.211 0.000 1.652 208 R CB 0.957 31.378 30.300 0.203 0.000 1.175 208 R HN 0.624 nan 8.270 nan 0.000 0.613 209 P HA 0.122 nan 4.420 nan 0.000 0.280 209 P C -0.135 177.195 177.300 0.050 0.000 1.244 209 P CA 0.091 63.244 63.100 0.089 0.000 0.784 209 P CB 1.995 33.714 31.700 0.031 0.000 0.913 210 G N 2.131 110.963 108.800 0.052 0.000 2.463 210 G HA2 -0.000 3.960 3.960 0.000 0.000 0.211 210 G HA3 -0.000 3.960 3.960 0.000 0.000 0.211 210 G C 0.992 175.730 174.900 -0.269 0.000 1.881 210 G CA -0.088 44.976 45.100 -0.059 0.000 0.722 210 G HN 0.448 nan 8.290 nan 0.000 0.709 211 L N 0.794 121.982 121.223 -0.059 0.000 2.051 211 L HA -0.093 4.247 4.340 0.000 0.000 0.214 211 L C 2.874 179.685 176.870 -0.099 0.000 1.076 211 L CA 1.948 56.755 54.840 -0.055 0.000 0.758 211 L CB -0.317 41.588 42.059 -0.257 0.000 0.890 211 L HN 0.329 nan 8.230 nan 0.000 0.433 212 M N -1.196 118.335 119.600 -0.115 0.000 2.113 212 M HA -0.342 4.138 4.480 0.000 0.000 0.255 212 M C 2.133 178.303 176.300 -0.217 0.000 1.073 212 M CA 2.374 57.603 55.300 -0.117 0.000 1.091 212 M CB -0.572 31.982 32.600 -0.077 0.000 1.309 212 M HN 0.360 nan 8.290 nan 0.000 0.407 213 L N -1.718 119.242 121.223 -0.438 0.000 2.187 213 L HA -0.213 4.127 4.340 0.000 0.000 0.213 213 L C 1.471 177.936 176.870 -0.675 0.000 1.100 213 L CA 1.226 55.707 54.840 -0.598 0.000 0.765 213 L CB -0.843 40.694 42.059 -0.870 0.000 0.904 213 L HN 0.356 nan 8.230 nan 0.000 0.437 214 Y N -0.415 119.694 120.300 -0.319 0.000 2.493 214 Y HA 0.347 4.897 4.550 0.000 0.000 0.275 214 Y C 1.738 177.513 175.900 -0.209 0.000 1.183 214 Y CA 0.151 57.979 58.100 -0.453 0.000 1.258 214 Y CB 0.177 38.147 38.460 -0.816 0.000 1.108 214 Y HN 0.202 nan 8.280 nan 0.000 0.521 215 G N 0.397 109.181 108.800 -0.026 0.000 2.143 215 G HA2 -0.288 3.672 3.960 0.000 0.000 0.249 215 G HA3 -0.288 3.672 3.960 0.000 0.000 0.249 215 G C 0.117 175.069 174.900 0.088 0.000 0.981 215 G CA 0.374 45.498 45.100 0.040 0.000 0.665 215 G HN 0.342 nan 8.290 nan 0.000 0.528 216 S N -0.676 115.087 115.700 0.105 0.000 2.509 216 S HA 0.723 5.193 4.470 0.000 0.000 0.297 216 S C 0.350 174.962 174.600 0.019 0.000 1.118 216 S CA 0.528 58.790 58.200 0.104 0.000 1.074 216 S CB 1.594 64.918 63.200 0.207 0.000 1.038 216 S HN 1.000 nan 8.310 nan 0.000 0.498 217 S N 3.256 118.962 115.700 0.010 0.000 2.537 217 S HA 0.478 4.948 4.470 0.000 0.000 0.275 217 S C -1.743 172.795 174.600 -0.104 0.000 1.272 217 S CA -1.512 56.678 58.200 -0.018 0.000 1.050 217 S CB 0.804 64.050 63.200 0.077 0.000 0.961 217 S HN 0.669 nan 8.310 nan 0.000 0.496 218 P HA 0.216 nan 4.420 nan 0.000 0.255 218 P C -0.595 176.507 177.300 -0.329 0.000 1.248 218 P CA 0.096 63.011 63.100 -0.309 0.000 0.807 218 P CB -0.065 31.393 31.700 -0.403 0.000 1.150 219 F N 0.434 120.428 119.950 0.073 0.000 2.425 219 F HA 0.281 4.808 4.527 0.000 0.000 0.331 219 F C 1.530 177.349 175.800 0.033 0.000 1.085 219 F CA -0.809 57.221 58.000 0.050 0.000 1.028 219 F CB 0.608 39.624 39.000 0.026 0.000 1.177 219 F HN -0.337 nan 8.300 nan 0.000 0.487 220 D N 0.452 120.987 120.400 0.224 0.000 2.123 220 D HA -0.077 4.563 4.640 0.000 0.000 0.200 220 D C 0.276 176.639 176.300 0.104 0.000 0.976 220 D CA 1.171 55.245 54.000 0.123 0.000 0.831 220 D CB -0.097 40.757 40.800 0.089 0.000 0.974 220 D HN 0.609 nan 8.370 nan 0.000 0.469 221 E N 1.652 121.913 120.200 0.101 0.000 2.373 221 E HA 0.219 4.569 4.350 0.000 0.000 0.263 221 E C -2.156 174.469 176.600 0.041 0.000 1.073 221 E CA -1.547 54.875 56.400 0.035 0.000 0.894 221 E CB 0.438 30.120 29.700 -0.030 0.000 1.008 221 E HN 0.079 nan 8.360 nan 0.000 0.420 222 P HA -0.015 nan 4.420 nan 0.000 0.271 222 P C -1.119 176.154 177.300 -0.045 0.000 1.216 222 P CA -0.005 63.100 63.100 0.008 0.000 0.771 222 P CB 0.833 32.533 31.700 -0.001 0.000 0.864 223 Q N 2.059 121.845 119.800 -0.023 0.000 2.347 223 Q HA 0.584 4.924 4.340 0.000 0.000 0.271 223 Q C 0.599 176.579 176.000 -0.032 0.000 1.064 223 Q CA -0.681 55.066 55.803 -0.093 0.000 0.800 223 Q CB 1.739 30.378 28.738 -0.165 0.000 1.304 223 Q HN 0.366 nan 8.270 nan 0.000 0.438 224 A N 2.485 125.269 122.820 -0.059 0.000 1.865 224 A HA -0.155 4.165 4.320 0.000 0.000 0.217 224 A C 1.625 179.207 177.584 -0.003 0.000 1.191 224 A CA 2.408 54.426 52.037 -0.031 0.000 0.623 224 A CB -1.077 17.895 19.000 -0.047 0.000 0.826 224 A HN 0.888 nan 8.150 nan 0.000 0.444 225 T N 0.285 114.837 114.554 -0.003 0.000 2.821 225 T HA 0.054 4.404 4.350 0.000 0.000 0.267 225 T C 2.068 176.808 174.700 0.066 0.000 1.046 225 T CA 1.378 63.493 62.100 0.026 0.000 1.139 225 T CB -0.377 68.506 68.868 0.025 0.000 0.871 225 T HN 0.588 nan 8.240 nan 0.000 0.454 226 A N 1.163 124.046 122.820 0.105 0.000 2.119 226 A HA 0.053 4.373 4.320 0.000 0.000 0.217 226 A C 2.477 180.119 177.584 0.097 0.000 1.153 226 A CA 1.077 53.199 52.037 0.141 0.000 0.692 226 A CB -0.556 18.601 19.000 0.263 0.000 0.799 226 A HN 0.403 nan 8.150 nan 0.000 0.458 227 S N -0.558 115.184 115.700 0.070 0.000 2.481 227 S HA -0.052 4.418 4.470 0.000 0.000 0.231 227 S C 1.821 176.454 174.600 0.056 0.000 0.996 227 S CA 0.744 58.976 58.200 0.054 0.000 0.942 227 S CB -0.191 63.030 63.200 0.035 0.000 0.768 227 S HN 0.622 nan 8.310 nan 0.000 0.520 228 R N 0.406 120.947 120.500 0.068 0.000 2.276 228 R HA 0.181 4.521 4.340 0.000 0.000 0.203 228 R C -0.033 176.353 176.300 0.144 0.000 1.017 228 R CA 0.137 56.295 56.100 0.097 0.000 1.010 228 R CB -0.162 30.194 30.300 0.094 0.000 0.900 228 R HN 0.328 nan 8.270 nan 0.000 0.469 229 L N 1.611 122.897 121.223 0.106 0.000 2.456 229 L HA 0.042 4.382 4.340 0.000 0.000 0.272 229 L C 0.100 177.012 176.870 0.070 0.000 1.189 229 L CA 0.406 55.309 54.840 0.104 0.000 0.846 229 L CB 0.675 42.776 42.059 0.070 0.000 1.111 229 L HN 0.045 nan 8.230 nan 0.000 0.475 230 Q N 4.148 123.986 119.800 0.063 0.000 2.333 230 Q HA 0.345 4.685 4.340 0.000 0.000 0.265 230 Q C -2.345 173.673 176.000 0.030 0.000 0.989 230 Q CA -2.041 53.763 55.803 0.002 0.000 0.842 230 Q CB 1.805 30.483 28.738 -0.100 0.000 1.262 230 Q HN 0.314 nan 8.270 nan 0.000 0.451 231 P HA -0.094 nan 4.420 nan 0.000 0.264 231 P C -0.007 177.342 177.300 0.082 0.000 1.193 231 P CA 0.214 63.367 63.100 0.089 0.000 0.763 231 P CB 0.921 32.687 31.700 0.109 0.000 0.810 232 V N 3.628 123.600 119.914 0.095 0.000 2.436 232 V HA 0.020 4.140 4.120 0.000 0.000 0.240 232 V C 1.341 177.528 176.094 0.154 0.000 1.040 232 V CA 1.155 63.512 62.300 0.095 0.000 1.052 232 V CB -0.432 31.416 31.823 0.042 0.000 0.707 232 V HN 0.531 nan 8.190 nan 0.000 0.469 233 M N 1.128 120.874 119.600 0.244 0.000 2.146 233 M HA 0.256 4.736 4.480 0.000 0.000 0.357 233 M C -0.796 175.650 176.300 0.245 0.000 1.261 233 M CA 0.364 55.806 55.300 0.237 0.000 1.106 233 M CB 0.954 33.697 32.600 0.239 0.000 1.612 233 M HN 0.213 nan 8.290 nan 0.000 0.470 234 T N 6.254 120.866 114.554 0.097 0.000 2.788 234 T HA 0.428 4.778 4.350 0.000 0.000 0.296 234 T C -0.851 173.783 174.700 -0.110 0.000 1.009 234 T CA -0.542 61.574 62.100 0.026 0.000 0.949 234 T CB 0.807 69.678 68.868 0.005 0.000 0.946 234 T HN 0.597 nan 8.240 nan 0.000 0.453 235 L N 5.283 126.323 121.223 -0.304 0.000 2.257 235 L HA 0.557 4.897 4.340 0.000 0.000 0.290 235 L C -0.004 176.670 176.870 -0.326 0.000 1.044 235 L CA -0.071 54.497 54.840 -0.453 0.000 0.810 235 L CB 0.238 41.697 42.059 -1.001 0.000 1.193 235 L HN 0.739 nan 8.230 nan 0.000 0.425 236 E N 2.979 123.052 120.200 -0.211 0.000 2.393 236 E HA 0.788 5.138 4.350 0.000 0.000 0.273 236 E C -1.320 175.205 176.600 -0.125 0.000 0.918 236 E CA -0.949 55.367 56.400 -0.140 0.000 0.773 236 E CB 1.991 31.645 29.700 -0.078 0.000 1.275 236 E HN 0.406 nan 8.360 nan 0.000 0.451 237 S N 0.270 115.908 115.700 -0.104 0.000 2.880 237 S HA 0.558 5.028 4.470 0.000 0.000 0.308 237 S C -1.561 172.998 174.600 -0.069 0.000 1.195 237 S CA -0.794 57.351 58.200 -0.092 0.000 0.866 237 S CB 1.307 64.439 63.200 -0.113 0.000 1.254 237 S HN 0.491 nan 8.310 nan 0.000 0.571 238 K N 0.686 121.047 120.400 -0.065 0.000 2.443 238 K HA 0.625 4.945 4.320 0.000 0.000 0.251 238 K C -1.483 175.083 176.600 -0.056 0.000 0.972 238 K CA -0.822 55.434 56.287 -0.052 0.000 0.833 238 K CB 1.967 34.442 32.500 -0.042 0.000 1.317 238 K HN 0.392 nan 8.250 nan 0.000 0.441 239 V N 3.739 123.623 119.914 -0.049 0.000 2.508 239 V HA 0.053 4.173 4.120 0.000 0.000 0.281 239 V C 1.088 177.156 176.094 -0.042 0.000 1.041 239 V CA 0.207 62.478 62.300 -0.048 0.000 1.016 239 V CB 0.259 32.056 31.823 -0.043 0.000 0.984 239 V HN 0.737 nan 8.190 nan 0.000 0.478 240 I N 1.408 121.952 120.570 -0.044 0.000 4.181 240 I HA 0.439 4.609 4.170 0.000 0.000 0.331 240 I C 0.545 176.641 176.117 -0.034 0.000 1.312 240 I CA 0.205 61.482 61.300 -0.038 0.000 1.146 240 I CB 0.684 38.659 38.000 -0.041 0.000 1.074 240 I HN 0.577 nan 8.210 nan 0.000 0.402 241 C N 1.291 120.570 119.300 -0.035 0.000 2.811 241 C HA 0.742 5.202 4.460 0.000 0.000 0.352 241 C C -0.756 174.217 174.990 -0.028 0.000 1.098 241 C CA -0.346 58.653 59.018 -0.031 0.000 1.295 241 C CB 1.422 29.143 27.740 -0.032 0.000 1.758 241 C HN 0.162 nan 8.230 nan 0.000 0.488 242 V N 6.188 126.089 119.914 -0.023 0.000 2.540 242 V HA 0.706 4.826 4.120 0.000 0.000 0.302 242 V C -0.151 175.934 176.094 -0.015 0.000 1.035 242 V CA -0.511 61.778 62.300 -0.020 0.000 0.873 242 V CB 1.756 33.568 31.823 -0.019 0.000 0.992 242 V HN 0.864 nan 8.190 nan 0.000 0.428 243 R N 2.587 123.080 120.500 -0.011 0.000 2.621 243 R HA 0.497 4.837 4.340 0.000 0.000 0.284 243 R C -1.040 175.260 176.300 -0.000 0.000 0.998 243 R CA -0.589 55.507 56.100 -0.007 0.000 0.895 243 R CB 2.201 32.497 30.300 -0.007 0.000 1.195 243 R HN 0.790 nan 8.270 nan 0.000 0.450 244 E N 4.602 124.801 120.200 -0.001 0.000 2.156 244 E HA 0.349 4.700 4.350 0.000 0.000 0.279 244 E C -0.867 175.735 176.600 0.003 0.000 0.965 244 E CA -0.521 55.881 56.400 0.003 0.000 0.789 244 E CB 1.729 31.429 29.700 -0.001 0.000 1.098 244 E HN 0.348 nan 8.360 nan 0.000 0.397 245 L N 4.884 126.112 121.223 0.009 0.000 2.381 245 L HA 0.495 4.835 4.340 0.000 0.000 0.268 245 L C -2.220 174.652 176.870 0.002 0.000 0.997 245 L CA -2.164 52.680 54.840 0.006 0.000 0.818 245 L CB 2.082 44.149 42.059 0.012 0.000 1.310 245 L HN 0.358 nan 8.230 nan 0.000 0.416 246 P HA 0.182 nan 4.420 nan 0.000 0.277 246 P C -0.802 176.487 177.300 -0.019 0.000 1.276 246 P CA -0.492 62.602 63.100 -0.010 0.000 0.788 246 P CB 0.695 32.388 31.700 -0.012 0.000 1.114 247 A N -0.619 122.186 122.820 -0.023 0.000 2.425 247 A HA 0.475 4.795 4.320 0.000 0.000 0.249 247 A C 1.202 178.756 177.584 -0.050 0.000 1.084 247 A CA 0.489 52.502 52.037 -0.039 0.000 0.781 247 A CB -1.370 17.611 19.000 -0.033 0.000 1.019 247 A HN 0.901 nan 8.150 nan 0.000 0.490 248 G N 0.849 109.603 108.800 -0.077 0.000 2.142 248 G HA2 -0.128 3.832 3.960 0.000 0.000 0.225 248 G HA3 -0.128 3.832 3.960 0.000 0.000 0.225 248 G C -0.268 174.588 174.900 -0.073 0.000 1.015 248 G CA 0.185 45.239 45.100 -0.077 0.000 0.716 248 G HN 0.757 nan 8.290 nan 0.000 0.508 249 E N 0.904 121.055 120.200 -0.083 0.000 2.158 249 E HA 0.422 4.772 4.350 0.000 0.000 0.271 249 E C -2.420 174.135 176.600 -0.076 0.000 0.911 249 E CA -1.893 54.471 56.400 -0.060 0.000 0.767 249 E CB 2.469 32.148 29.700 -0.034 0.000 1.120 249 E HN 0.243 nan 8.360 nan 0.000 0.405 250 P HA 0.164 nan 4.420 nan 0.000 0.279 250 P C -0.425 176.885 177.300 0.017 0.000 1.239 250 P CA -0.391 62.691 63.100 -0.029 0.000 0.789 250 P CB 0.986 32.678 31.700 -0.013 0.000 0.933 251 V N 2.872 122.833 119.914 0.079 0.000 2.444 251 V HA 0.688 4.808 4.120 0.000 0.000 0.294 251 V C 0.736 176.886 176.094 0.093 0.000 1.022 251 V CA 0.406 62.775 62.300 0.115 0.000 0.850 251 V CB 0.603 32.576 31.823 0.251 0.000 0.992 251 V HN 1.109 nan 8.190 nan 0.000 0.426 252 G N 4.072 112.873 108.800 0.001 0.000 2.725 252 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 252 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 252 G C -0.738 174.133 174.900 -0.047 0.000 1.357 252 G CA -0.617 44.447 45.100 -0.061 0.000 0.866 252 G HN 0.632 nan 8.290 nan 0.000 0.548 253 Y N 1.061 121.402 120.300 0.068 0.000 2.597 253 Y HA 0.324 4.874 4.550 0.000 0.000 0.336 253 Y C 1.949 177.885 175.900 0.060 0.000 1.216 253 Y CA 1.772 59.909 58.100 0.062 0.000 1.463 253 Y CB 0.801 39.303 38.460 0.070 0.000 1.303 253 Y HN 2.117 nan 8.280 nan 0.000 0.576 254 G N 1.867 110.803 108.800 0.227 0.000 2.196 254 G HA2 -0.165 3.795 3.960 0.000 0.000 0.268 254 G HA3 -0.165 3.795 3.960 0.000 0.000 0.268 254 G C 0.786 175.747 174.900 0.101 0.000 0.975 254 G CA 0.401 45.584 45.100 0.138 0.000 0.648 254 G HN 1.892 nan 8.290 nan 0.000 0.538 255 A N -1.492 121.386 122.820 0.097 0.000 2.783 255 A HA -0.260 4.060 4.320 0.000 0.000 0.292 255 A C 1.745 179.381 177.584 0.085 0.000 1.495 255 A CA 2.125 54.205 52.037 0.072 0.000 0.787 255 A CB -1.094 17.929 19.000 0.038 0.000 1.017 255 A HN 0.835 nan 8.150 nan 0.000 0.516 256 R N -1.896 118.679 120.500 0.125 0.000 2.328 256 R HA 0.122 4.462 4.340 0.000 0.000 0.207 256 R C 0.104 176.533 176.300 0.216 0.000 1.056 256 R CA 1.069 57.252 56.100 0.139 0.000 1.016 256 R CB -0.431 29.951 30.300 0.136 0.000 0.872 256 R HN 0.847 nan 8.270 nan 0.000 0.471 257 F N 0.126 120.096 119.950 0.033 0.000 2.585 257 F HA 0.412 4.939 4.527 0.000 0.000 0.319 257 F C -1.181 174.629 175.800 0.017 0.000 1.165 257 F CA -1.454 56.561 58.000 0.025 0.000 0.949 257 F CB 1.047 40.063 39.000 0.028 0.000 1.218 257 F HN -0.277 nan 8.300 nan 0.000 0.453 258 I N 4.081 124.245 120.570 -0.677 0.000 2.404 258 I HA 0.307 4.477 4.170 0.000 0.000 0.293 258 I C -0.006 175.593 176.117 -0.863 0.000 0.992 258 I CA -0.696 60.268 61.300 -0.559 0.000 1.149 258 I CB 2.227 40.065 38.000 -0.269 0.000 1.315 258 I HN 0.688 nan 8.210 nan 0.000 0.446 259 T N 4.030 118.253 114.554 -0.553 0.000 2.792 259 T HA 0.116 4.466 4.350 0.000 0.000 0.286 259 T C -1.654 172.905 174.700 -0.235 0.000 0.970 259 T CA -0.928 60.959 62.100 -0.356 0.000 1.187 259 T CB 0.352 69.150 68.868 -0.117 0.000 0.915 259 T HN 0.470 nan 8.240 nan 0.000 0.529 260 P HA 0.076 nan 4.420 nan 0.000 0.231 260 P C 0.221 177.498 177.300 -0.038 0.000 1.168 260 P CA 0.781 63.829 63.100 -0.087 0.000 0.779 260 P CB 0.237 31.916 31.700 -0.035 0.000 0.844 261 K N -1.286 119.103 120.400 -0.019 0.000 2.522 261 K HA 0.523 4.843 4.320 0.000 0.000 0.275 261 K C -3.232 173.369 176.600 0.002 0.000 1.006 261 K CA -2.497 53.788 56.287 -0.003 0.000 0.890 261 K CB 0.698 33.206 32.500 0.013 0.000 1.475 261 K HN -0.346 nan 8.250 nan 0.000 0.441 262 P HA 0.060 nan 4.420 nan 0.000 0.267 262 P C -0.851 176.461 177.300 0.019 0.000 1.209 262 P CA 0.327 63.431 63.100 0.007 0.000 0.763 262 P CB 0.443 32.145 31.700 0.003 0.000 0.816 263 M N 2.252 121.868 119.600 0.027 0.000 2.631 263 M HA 0.453 4.933 4.480 0.000 0.000 0.288 263 M C 0.060 176.378 176.300 0.030 0.000 1.260 263 M CA -0.920 54.404 55.300 0.040 0.000 0.842 263 M CB 3.320 35.967 32.600 0.078 0.000 1.743 263 M HN 0.158 nan 8.290 nan 0.000 0.461 264 R N 1.528 122.043 120.500 0.025 0.000 2.343 264 R HA 0.628 4.968 4.340 0.000 0.000 0.320 264 R C -1.538 174.770 176.300 0.014 0.000 0.956 264 R CA -0.492 55.617 56.100 0.014 0.000 0.836 264 R CB 0.958 31.260 30.300 0.003 0.000 1.151 264 R HN 0.512 nan 8.270 nan 0.000 0.450 265 I N 3.069 123.647 120.570 0.012 0.000 2.441 265 I HA 0.441 4.612 4.170 0.000 0.000 0.295 265 I C 0.549 176.660 176.117 -0.010 0.000 0.994 265 I CA -0.604 60.702 61.300 0.009 0.000 1.144 265 I CB 1.559 39.574 38.000 0.025 0.000 1.314 265 I HN 0.757 nan 8.210 nan 0.000 0.445 266 G N 5.054 113.841 108.800 -0.022 0.000 2.513 266 G HA2 0.601 4.561 3.960 0.000 0.000 0.317 266 G HA3 0.601 4.561 3.960 0.000 0.000 0.317 266 G C -1.210 173.663 174.900 -0.044 0.000 1.277 266 G CA -0.351 44.729 45.100 -0.033 0.000 0.955 266 G HN 0.295 nan 8.290 nan 0.000 0.484 267 V N 2.216 122.103 119.914 -0.046 0.000 2.370 267 V HA 0.444 4.564 4.120 0.000 0.000 0.283 267 V C -0.023 176.032 176.094 -0.065 0.000 1.023 267 V CA -0.643 61.623 62.300 -0.056 0.000 0.857 267 V CB 1.327 33.120 31.823 -0.050 0.000 0.985 267 V HN 0.532 nan 8.190 nan 0.000 0.443 268 V N 3.611 123.474 119.914 -0.084 0.000 2.483 268 V HA 0.574 4.694 4.120 0.000 0.000 0.295 268 V C 0.716 176.748 176.094 -0.104 0.000 1.035 268 V CA -0.643 61.598 62.300 -0.097 0.000 0.896 268 V CB 1.852 33.600 31.823 -0.125 0.000 0.986 268 V HN 0.960 nan 8.190 nan 0.000 0.447 269 A N 5.637 128.400 122.820 -0.094 0.000 3.026 269 A HA 0.616 4.936 4.320 0.000 0.000 0.272 269 A C -0.164 177.353 177.584 -0.111 0.000 1.782 269 A CA 0.226 52.208 52.037 -0.091 0.000 1.451 269 A CB -0.869 18.087 19.000 -0.073 0.000 1.081 269 A HN 0.805 nan 8.150 nan 0.000 0.611 270 M N 1.171 120.692 119.600 -0.131 0.000 2.307 270 M HA 0.574 5.054 4.480 0.000 0.000 0.279 270 M C -0.375 175.841 176.300 -0.141 0.000 1.080 270 M CA 0.042 55.252 55.300 -0.150 0.000 0.964 270 M CB 1.483 33.951 32.600 -0.220 0.000 1.825 270 M HN 0.494 nan 8.290 nan 0.000 0.489 271 G N 2.087 110.829 108.800 -0.097 0.000 3.022 271 G HA2 0.465 4.425 3.960 0.000 0.000 0.284 271 G HA3 0.465 4.425 3.960 0.000 0.000 0.284 271 G C -0.387 174.530 174.900 0.028 0.000 1.375 271 G CA -0.214 44.826 45.100 -0.099 0.000 0.902 271 G HN 0.916 nan 8.290 nan 0.000 0.538 272 Y N -1.817 118.556 120.300 0.121 0.000 2.509 272 Y HA 0.324 4.874 4.550 0.000 0.000 0.293 272 Y C 2.452 178.408 175.900 0.092 0.000 1.133 272 Y CA 1.015 59.195 58.100 0.134 0.000 1.283 272 Y CB -0.363 38.164 38.460 0.111 0.000 1.001 272 Y HN 0.350 nan 8.280 nan 0.000 0.555 273 A N 1.047 123.881 122.820 0.024 0.000 2.014 273 A HA -0.137 4.183 4.320 0.000 0.000 0.218 273 A C 1.772 179.390 177.584 0.058 0.000 1.163 273 A CA 1.552 53.623 52.037 0.056 0.000 0.652 273 A CB -0.562 18.409 19.000 -0.047 0.000 0.808 273 A HN 0.533 nan 8.150 nan 0.000 0.449 274 D N -1.364 119.061 120.400 0.042 0.000 2.269 274 D HA 0.117 4.757 4.640 0.000 0.000 0.208 274 D C 1.439 177.798 176.300 0.099 0.000 0.963 274 D CA 1.456 55.480 54.000 0.041 0.000 0.864 274 D CB 0.200 41.000 40.800 -0.001 0.000 0.936 274 D HN 0.610 nan 8.370 nan 0.000 0.505 275 G N -0.043 108.861 108.800 0.172 0.000 2.425 275 G HA2 -0.213 3.747 3.960 0.000 0.000 0.177 275 G HA3 -0.213 3.747 3.960 0.000 0.000 0.177 275 G C -0.116 174.994 174.900 0.350 0.000 0.999 275 G CA -0.511 44.731 45.100 0.238 0.000 0.723 275 G HN 0.279 nan 8.290 nan 0.000 0.491 276 Y N 4.148 124.577 120.300 0.216 0.000 2.442 276 Y HA 0.474 5.024 4.550 0.000 0.000 0.330 276 Y C -1.706 174.336 175.900 0.237 0.000 1.129 276 Y CA -1.527 56.736 58.100 0.271 0.000 1.365 276 Y CB 0.964 39.509 38.460 0.140 0.000 1.233 276 Y HN 0.055 nan 8.280 nan 0.000 0.529 277 P HA 0.024 nan 4.420 nan 0.000 0.267 277 P C -0.042 177.303 177.300 0.076 0.000 1.209 277 P CA 0.116 63.175 63.100 -0.069 0.000 0.763 277 P CB 0.938 32.511 31.700 -0.212 0.000 0.816 278 R N 2.837 123.395 120.500 0.097 0.000 2.189 278 R HA -0.129 4.211 4.340 0.000 0.000 0.218 278 R C 1.525 177.850 176.300 0.042 0.000 1.074 278 R CA 1.273 57.430 56.100 0.096 0.000 0.991 278 R CB -0.041 30.183 30.300 -0.128 0.000 0.883 278 R HN 0.379 nan 8.270 nan 0.000 0.457 279 Q N 0.234 120.029 119.800 -0.009 0.000 2.437 279 Q HA 0.068 4.408 4.340 0.000 0.000 0.210 279 Q C 0.228 176.229 176.000 0.003 0.000 0.972 279 Q CA 0.937 56.730 55.803 -0.016 0.000 0.903 279 Q CB 0.141 28.853 28.738 -0.043 0.000 0.967 279 Q HN 0.288 nan 8.270 nan 0.000 0.486 280 A N 2.795 125.626 122.820 0.019 0.000 2.476 280 A HA 0.235 4.555 4.320 0.000 0.000 0.275 280 A C -2.080 175.550 177.584 0.077 0.000 1.133 280 A CA -1.082 50.981 52.037 0.044 0.000 0.797 280 A CB -0.269 18.779 19.000 0.080 0.000 1.081 280 A HN 0.072 nan 8.150 nan 0.000 0.510 281 P HA 0.240 nan 4.420 nan 0.000 0.278 281 P C -0.142 177.175 177.300 0.028 0.000 1.266 281 P CA -0.392 62.734 63.100 0.044 0.000 0.807 281 P CB 0.309 32.031 31.700 0.035 0.000 1.094 282 T N 0.381 114.934 114.554 -0.001 0.000 2.866 282 T HA 0.330 4.680 4.350 0.000 0.000 0.293 282 T C 1.317 175.995 174.700 -0.036 0.000 1.005 282 T CA 1.596 63.648 62.100 -0.081 0.000 1.162 282 T CB -0.577 68.215 68.868 -0.127 0.000 0.968 282 T HN 0.833 nan 8.240 nan 0.000 0.530 283 G N 3.014 111.784 108.800 -0.049 0.000 2.352 283 G HA2 -0.227 3.733 3.960 0.000 0.000 0.204 283 G HA3 -0.227 3.733 3.960 0.000 0.000 0.204 283 G C 0.357 175.272 174.900 0.025 0.000 1.004 283 G CA -0.261 44.836 45.100 -0.005 0.000 0.648 283 G HN 0.826 nan 8.290 nan 0.000 0.491 284 T N 4.429 119.009 114.554 0.044 0.000 2.866 284 T HA 0.423 4.773 4.350 0.000 0.000 0.293 284 T C -2.295 172.469 174.700 0.107 0.000 1.005 284 T CA 0.370 62.522 62.100 0.087 0.000 1.162 284 T CB 1.269 70.216 68.868 0.132 0.000 0.968 284 T HN 0.256 nan 8.240 nan 0.000 0.530 285 P HA 0.337 nan 4.420 nan 0.000 0.281 285 P C -0.230 177.173 177.300 0.173 0.000 1.252 285 P CA -0.565 62.612 63.100 0.128 0.000 0.778 285 P CB 0.700 32.476 31.700 0.127 0.000 0.895 286 V N 0.163 120.168 119.914 0.152 0.000 3.234 286 V HA 0.672 4.792 4.120 0.000 0.000 0.317 286 V C -0.387 175.834 176.094 0.212 0.000 1.147 286 V CA -1.084 61.335 62.300 0.198 0.000 1.037 286 V CB 0.397 32.285 31.823 0.108 0.000 1.148 286 V HN 0.415 nan 8.190 nan 0.000 0.455 287 F N -1.092 118.870 119.950 0.020 0.000 2.310 287 F HA -0.009 4.518 4.527 0.000 0.000 0.483 287 F C -0.484 175.313 175.800 -0.005 0.000 1.229 287 F CA 0.773 58.782 58.000 0.015 0.000 1.544 287 F CB -0.756 38.262 39.000 0.031 0.000 2.399 287 F HN 0.730 nan 8.300 nan 0.000 0.745 288 V N 3.307 123.128 119.914 -0.155 0.000 2.569 288 V HA 0.577 4.697 4.120 0.000 0.000 0.301 288 V C -0.128 175.847 176.094 -0.199 0.000 1.044 288 V CA -0.383 61.852 62.300 -0.109 0.000 0.874 288 V CB 1.736 33.516 31.823 -0.071 0.000 1.002 288 V HN 0.464 nan 8.190 nan 0.000 0.424 289 D N 5.044 125.364 120.400 -0.134 0.000 2.697 289 D HA -0.155 4.485 4.640 0.000 0.000 0.238 289 D C 1.202 177.364 176.300 -0.230 0.000 1.152 289 D CA 2.084 56.008 54.000 -0.127 0.000 0.666 289 D CB -1.178 39.567 40.800 -0.092 0.000 1.037 289 D HN 1.791 nan 8.370 nan 0.000 0.423 290 G N -2.263 106.302 108.800 -0.391 0.000 2.189 290 G HA2 -0.301 3.659 3.960 0.000 0.000 0.267 290 G HA3 -0.301 3.659 3.960 0.000 0.000 0.267 290 G C 0.380 174.804 174.900 -0.792 0.000 0.975 290 G CA 0.458 45.245 45.100 -0.521 0.000 0.644 290 G HN 0.692 nan 8.290 nan 0.000 0.537 291 V N 0.595 120.044 119.914 -0.776 0.000 2.555 291 V HA 0.532 4.652 4.120 0.000 0.000 0.302 291 V C 0.793 176.601 176.094 -0.477 0.000 1.038 291 V CA -1.028 60.982 62.300 -0.484 0.000 0.887 291 V CB 1.814 33.492 31.823 -0.241 0.000 0.991 291 V HN 0.363 nan 8.190 nan 0.000 0.434 292 R N 2.379 122.744 120.500 -0.225 0.000 2.316 292 R HA 0.444 4.784 4.340 0.000 0.000 0.314 292 R C 0.232 176.522 176.300 -0.017 0.000 1.069 292 R CA 0.254 56.344 56.100 -0.017 0.000 0.959 292 R CB 0.777 31.144 30.300 0.112 0.000 0.987 292 R HN 0.873 nan 8.270 nan 0.000 0.446 293 S N 2.260 117.961 115.700 0.002 0.000 2.841 293 S HA 0.443 4.913 4.470 0.000 0.000 0.274 293 S C -1.457 173.155 174.600 0.020 0.000 1.044 293 S CA -0.684 57.515 58.200 -0.003 0.000 0.952 293 S CB 1.070 64.253 63.200 -0.027 0.000 1.331 293 S HN 0.682 nan 8.310 nan 0.000 0.610 294 Q N 0.445 120.244 119.800 -0.003 0.000 2.391 294 Q HA 0.616 4.956 4.340 0.000 0.000 0.279 294 Q C -1.645 174.326 176.000 -0.049 0.000 1.028 294 Q CA -0.889 54.908 55.803 -0.010 0.000 0.836 294 Q CB 1.277 30.002 28.738 -0.022 0.000 1.414 294 Q HN 0.489 nan 8.270 nan 0.000 0.397 295 L N 2.050 123.252 121.223 -0.036 0.000 2.426 295 L HA 0.413 4.753 4.340 0.000 0.000 0.271 295 L C -1.430 175.329 176.870 -0.184 0.000 1.169 295 L CA 0.214 55.015 54.840 -0.065 0.000 0.836 295 L CB 0.596 42.671 42.059 0.026 0.000 1.112 295 L HN 0.676 nan 8.230 nan 0.000 0.465 296 L N 5.811 126.891 121.223 -0.237 0.000 2.376 296 L HA 0.719 5.059 4.340 0.000 0.000 0.275 296 L C 0.525 177.226 176.870 -0.281 0.000 0.987 296 L CA -0.316 54.229 54.840 -0.492 0.000 0.828 296 L CB 1.158 42.900 42.059 -0.527 0.000 1.249 296 L HN 0.927 nan 8.230 nan 0.000 0.409 297 G N 2.559 111.208 108.800 -0.252 0.000 2.741 297 G HA2 -0.172 3.788 3.960 0.000 0.000 0.222 297 G HA3 -0.172 3.788 3.960 0.000 0.000 0.222 297 G C -0.515 174.425 174.900 0.067 0.000 1.364 297 G CA -0.842 44.282 45.100 0.040 0.000 0.866 297 G HN 0.506 nan 8.290 nan 0.000 0.555 298 R N -0.774 119.802 120.500 0.127 0.000 2.543 298 R HA 0.376 4.716 4.340 0.000 0.000 0.277 298 R C 0.516 176.927 176.300 0.184 0.000 1.074 298 R CA -0.390 55.811 56.100 0.168 0.000 1.076 298 R CB 0.818 31.255 30.300 0.229 0.000 0.993 298 R HN 0.529 nan 8.270 nan 0.000 0.459 299 V N 3.157 123.208 119.914 0.229 0.000 2.488 299 V HA 0.068 4.189 4.120 0.000 0.000 0.277 299 V C 0.738 177.056 176.094 0.375 0.000 1.046 299 V CA -0.010 62.447 62.300 0.261 0.000 0.986 299 V CB 1.305 33.332 31.823 0.341 0.000 0.989 299 V HN 0.750 nan 8.190 nan 0.000 0.475 300 S N 4.358 120.190 115.700 0.220 0.000 2.661 300 S HA 0.299 4.769 4.470 0.000 0.000 0.265 300 S C 1.158 175.549 174.600 -0.348 0.000 1.225 300 S CA -0.555 57.752 58.200 0.177 0.000 0.986 300 S CB 0.837 64.128 63.200 0.152 0.000 1.008 300 S HN 0.828 nan 8.310 nan 0.000 0.565 301 M N 0.941 120.190 119.600 -0.584 0.000 2.159 301 M HA -0.148 4.332 4.480 0.000 0.000 0.263 301 M C 0.113 176.111 176.300 -0.503 0.000 1.063 301 M CA 1.737 56.437 55.300 -1.000 0.000 1.110 301 M CB -0.063 32.265 32.600 -0.454 0.000 1.374 301 M HN 0.578 nan 8.290 nan 0.000 0.411 302 D N -1.369 118.877 120.400 -0.255 0.000 2.498 302 D HA 0.229 4.869 4.640 0.000 0.000 0.223 302 D C 0.060 176.289 176.300 -0.119 0.000 1.125 302 D CA 0.300 54.208 54.000 -0.155 0.000 0.835 302 D CB 0.719 41.458 40.800 -0.102 0.000 1.086 302 D HN 0.352 nan 8.370 nan 0.000 0.510 303 M N 1.230 120.766 119.600 -0.106 0.000 2.464 303 M HA 0.418 4.898 4.480 0.000 0.000 0.308 303 M C -1.310 174.947 176.300 -0.071 0.000 1.127 303 M CA -0.987 54.263 55.300 -0.083 0.000 0.913 303 M CB 3.050 35.612 32.600 -0.064 0.000 1.689 303 M HN -0.166 nan 8.290 nan 0.000 0.445 304 L N 0.507 121.672 121.223 -0.098 0.000 2.309 304 L HA 0.969 5.310 4.340 0.000 0.000 0.261 304 L C -1.147 175.668 176.870 -0.091 0.000 1.021 304 L CA -0.588 54.196 54.840 -0.094 0.000 0.823 304 L CB 1.824 43.772 42.059 -0.185 0.000 1.366 304 L HN 0.811 nan 8.230 nan 0.000 0.423 305 C N 2.716 121.971 119.300 -0.075 0.000 2.408 305 C HA 0.899 5.359 4.460 0.000 0.000 0.321 305 C C -0.053 174.885 174.990 -0.086 0.000 1.245 305 C CA -0.635 58.342 59.018 -0.069 0.000 1.523 305 C CB -0.171 27.542 27.740 -0.045 0.000 2.178 305 C HN 0.928 nan 8.230 nan 0.000 0.488 306 I N 2.001 122.525 120.570 -0.077 0.000 2.957 306 I HA 0.643 4.813 4.170 0.000 0.000 0.310 306 I C -0.728 175.354 176.117 -0.058 0.000 1.063 306 I CA -0.404 60.851 61.300 -0.075 0.000 1.033 306 I CB 1.533 39.493 38.000 -0.066 0.000 1.230 306 I HN 0.432 nan 8.210 nan 0.000 0.447 307 D N 2.659 123.026 120.400 -0.055 0.000 2.264 307 D HA 0.415 5.055 4.640 0.000 0.000 0.250 307 D C -0.085 176.199 176.300 -0.026 0.000 1.113 307 D CA -0.034 53.948 54.000 -0.031 0.000 0.871 307 D CB 1.400 42.184 40.800 -0.027 0.000 1.167 307 D HN 0.659 nan 8.370 nan 0.000 0.447 308 L N 2.860 124.073 121.223 -0.016 0.000 3.069 308 L HA 0.105 4.445 4.340 0.000 0.000 0.271 308 L C 1.716 178.579 176.870 -0.013 0.000 1.201 308 L CA -0.093 54.735 54.840 -0.021 0.000 1.015 308 L CB 0.456 42.501 42.059 -0.023 0.000 1.371 308 L HN 0.370 nan 8.230 nan 0.000 0.574 309 T N -0.753 113.800 114.554 -0.002 0.000 2.674 309 T HA -0.144 4.206 4.350 0.000 0.000 0.265 309 T C 1.116 175.814 174.700 -0.003 0.000 1.039 309 T CA 1.468 63.571 62.100 0.004 0.000 1.150 309 T CB -0.033 68.847 68.868 0.019 0.000 0.864 309 T HN 0.212 nan 8.240 nan 0.000 0.427 310 D N 0.831 121.227 120.400 -0.007 0.000 2.340 310 D HA 0.110 4.751 4.640 0.000 0.000 0.220 310 D C -0.097 176.189 176.300 -0.024 0.000 1.039 310 D CA 0.211 54.204 54.000 -0.011 0.000 0.866 310 D CB 0.174 40.970 40.800 -0.008 0.000 0.913 310 D HN 0.224 nan 8.370 nan 0.000 0.523 311 V N 2.186 122.081 119.914 -0.030 0.000 2.275 311 V HA 0.165 4.285 4.120 0.000 0.000 0.272 311 V C -1.587 174.486 176.094 -0.034 0.000 1.028 311 V CA -1.192 61.082 62.300 -0.043 0.000 0.810 311 V CB 1.588 33.375 31.823 -0.060 0.000 1.043 311 V HN -0.131 nan 8.190 nan 0.000 0.453 312 P HA -0.060 nan 4.420 nan 0.000 0.215 312 P C 1.008 178.293 177.300 -0.024 0.000 1.157 312 P CA 0.987 64.073 63.100 -0.023 0.000 0.859 312 P CB 0.342 32.031 31.700 -0.019 0.000 0.786 313 Q N -0.765 119.018 119.800 -0.029 0.000 2.217 313 Q HA 0.413 4.753 4.340 0.000 0.000 0.226 313 Q C -0.202 175.778 176.000 -0.032 0.000 0.875 313 Q CA -0.499 55.288 55.803 -0.027 0.000 0.974 313 Q CB 0.187 28.910 28.738 -0.025 0.000 1.079 313 Q HN 0.113 nan 8.270 nan 0.000 0.463 314 A N -0.416 122.383 122.820 -0.036 0.000 2.324 314 A HA 0.874 5.194 4.320 0.000 0.000 0.330 314 A C 0.245 177.810 177.584 -0.032 0.000 1.165 314 A CA 0.043 52.057 52.037 -0.039 0.000 0.813 314 A CB 1.164 20.134 19.000 -0.051 0.000 1.197 314 A HN 0.356 nan 8.150 nan 0.000 0.484 315 G N 0.033 108.815 108.800 -0.031 0.000 2.696 315 G HA2 0.429 4.389 3.960 0.000 0.000 0.151 315 G HA3 0.429 4.389 3.960 0.000 0.000 0.151 315 G C -1.012 173.871 174.900 -0.028 0.000 1.197 315 G CA -0.805 44.279 45.100 -0.027 0.000 1.053 315 G HN 0.715 nan 8.290 nan 0.000 0.546 316 L N 1.874 123.082 121.223 -0.025 0.000 2.534 316 L HA 0.363 4.703 4.340 0.000 0.000 0.271 316 L C 1.601 178.456 176.870 -0.025 0.000 1.178 316 L CA 1.723 56.548 54.840 -0.025 0.000 0.907 316 L CB 0.539 42.585 42.059 -0.022 0.000 1.164 316 L HN 1.522 nan 8.230 nan 0.000 0.482 317 G N 1.931 110.715 108.800 -0.028 0.000 2.176 317 G HA2 -0.265 3.695 3.960 0.000 0.000 0.253 317 G HA3 -0.265 3.695 3.960 0.000 0.000 0.253 317 G C 0.343 175.227 174.900 -0.026 0.000 0.979 317 G CA 0.093 45.177 45.100 -0.026 0.000 0.641 317 G HN 0.554 nan 8.290 nan 0.000 0.530 318 S N 1.380 117.062 115.700 -0.029 0.000 2.531 318 S HA 0.480 4.950 4.470 0.000 0.000 0.279 318 S C 0.748 175.330 174.600 -0.029 0.000 1.305 318 S CA 0.402 58.584 58.200 -0.030 0.000 1.058 318 S CB 1.091 64.269 63.200 -0.036 0.000 0.899 318 S HN 0.447 nan 8.310 nan 0.000 0.493 319 T N 3.375 117.917 114.554 -0.019 0.000 2.834 319 T HA 0.289 4.639 4.350 0.000 0.000 0.298 319 T C -0.067 174.633 174.700 0.001 0.000 0.966 319 T CA -0.372 61.722 62.100 -0.010 0.000 1.141 319 T CB 0.277 69.148 68.868 0.006 0.000 0.905 319 T HN 0.330 nan 8.240 nan 0.000 0.535 320 V N 3.708 123.617 119.914 -0.009 0.000 2.409 320 V HA 0.344 4.464 4.120 0.000 0.000 0.291 320 V C 0.228 176.331 176.094 0.014 0.000 1.020 320 V CA -0.903 61.400 62.300 0.004 0.000 0.848 320 V CB 1.586 33.385 31.823 -0.041 0.000 0.990 320 V HN 0.866 nan 8.190 nan 0.000 0.430 321 E N 3.967 124.227 120.200 0.100 0.000 2.167 321 E HA 0.286 4.636 4.350 0.000 0.000 0.284 321 E C -0.049 176.584 176.600 0.056 0.000 1.016 321 E CA -0.693 55.745 56.400 0.064 0.000 0.817 321 E CB 1.186 30.948 29.700 0.103 0.000 1.080 321 E HN 0.493 nan 8.360 nan 0.000 0.397 322 L N 4.183 125.380 121.223 -0.044 0.000 2.145 322 L HA 0.138 4.478 4.340 0.000 0.000 0.201 322 L C 0.430 177.454 176.870 0.257 0.000 1.075 322 L CA 1.120 55.986 54.840 0.043 0.000 0.773 322 L CB -1.225 40.754 42.059 -0.133 0.000 0.936 322 L HN 0.643 nan 8.230 nan 0.000 0.451 323 W N -2.249 119.127 121.300 0.126 0.000 3.137 323 W HA 0.628 5.288 4.660 0.000 0.000 0.324 323 W C -0.224 176.331 176.519 0.060 0.000 1.253 323 W CA -0.433 56.961 57.345 0.081 0.000 1.183 323 W CB 0.554 30.064 29.460 0.084 0.000 1.424 323 W HN 0.133 nan 8.180 nan 0.000 0.566 324 G N 0.696 109.710 108.800 0.356 0.000 2.591 324 G HA2 0.007 3.967 3.960 0.000 0.000 0.104 324 G HA3 0.007 3.967 3.960 0.000 0.000 0.104 324 G C 0.026 174.988 174.900 0.104 0.000 1.097 324 G CA -0.263 44.968 45.100 0.218 0.000 1.076 324 G HN 0.485 nan 8.290 nan 0.000 0.485 325 K N 0.482 120.886 120.400 0.007 0.000 2.305 325 K HA 0.155 4.475 4.320 0.000 0.000 0.199 325 K C 1.757 178.283 176.600 -0.123 0.000 1.047 325 K CA 0.770 57.036 56.287 -0.034 0.000 0.976 325 K CB 0.083 32.562 32.500 -0.035 0.000 0.765 325 K HN 0.230 nan 8.250 nan 0.000 0.474 326 N N 0.202 118.738 118.700 -0.273 0.000 2.436 326 N HA 0.034 4.774 4.740 0.000 0.000 0.178 326 N C 0.121 175.408 175.510 -0.371 0.000 1.026 326 N CA 0.631 53.352 53.050 -0.547 0.000 0.880 326 N CB 0.705 38.306 38.487 -1.477 0.000 1.061 326 N HN -0.001 nan 8.380 nan 0.000 0.434 327 I N 2.903 123.343 120.570 -0.217 0.000 2.354 327 I HA 0.292 4.462 4.170 0.000 0.000 0.286 327 I C 0.161 176.325 176.117 0.079 0.000 1.007 327 I CA -0.554 60.741 61.300 -0.009 0.000 1.167 327 I CB 0.896 38.954 38.000 0.097 0.000 1.320 327 I HN -0.086 nan 8.210 nan 0.000 0.458 328 L N 4.669 125.924 121.223 0.053 0.000 2.456 328 L HA 0.145 4.485 4.340 0.000 0.000 0.272 328 L C 1.770 178.656 176.870 0.028 0.000 1.189 328 L CA -0.119 54.755 54.840 0.058 0.000 0.846 328 L CB 0.823 42.900 42.059 0.030 0.000 1.111 328 L HN 0.723 nan 8.230 nan 0.000 0.475 329 A N 1.994 124.790 122.820 -0.040 0.000 2.024 329 A HA -0.185 4.135 4.320 0.000 0.000 0.220 329 A C 2.313 179.687 177.584 -0.350 0.000 1.164 329 A CA 1.877 53.690 52.037 -0.374 0.000 0.643 329 A CB -0.544 18.028 19.000 -0.714 0.000 0.806 329 A HN 0.910 nan 8.150 nan 0.000 0.451 330 S N -0.259 115.329 115.700 -0.187 0.000 2.423 330 S HA -0.164 4.306 4.470 0.000 0.000 0.231 330 S C 1.584 176.129 174.600 -0.092 0.000 1.014 330 S CA 1.305 59.422 58.200 -0.137 0.000 0.965 330 S CB -0.373 62.791 63.200 -0.060 0.000 0.785 330 S HN 0.687 nan 8.310 nan 0.000 0.495 331 E N 0.773 120.940 120.200 -0.054 0.000 2.106 331 E HA -0.044 4.306 4.350 0.000 0.000 0.192 331 E C 2.068 178.652 176.600 -0.027 0.000 0.984 331 E CA 1.247 57.638 56.400 -0.015 0.000 0.806 331 E CB -0.215 29.501 29.700 0.026 0.000 0.750 331 E HN 0.449 nan 8.360 nan 0.000 0.458 332 V N 1.093 120.974 119.914 -0.056 0.000 2.379 332 V HA -0.171 3.949 4.120 0.000 0.000 0.245 332 V C 2.272 178.266 176.094 -0.166 0.000 1.044 332 V CA 1.631 63.886 62.300 -0.077 0.000 1.036 332 V CB -0.597 31.196 31.823 -0.049 0.000 0.664 332 V HN 0.282 nan 8.190 nan 0.000 0.453 333 A N -0.514 122.164 122.820 -0.237 0.000 1.898 333 A HA -0.235 4.085 4.320 0.000 0.000 0.216 333 A C 2.439 179.945 177.584 -0.130 0.000 1.181 333 A CA 2.457 54.355 52.037 -0.231 0.000 0.620 333 A CB -0.922 17.906 19.000 -0.287 0.000 0.819 333 A HN 0.436 nan 8.150 nan 0.000 0.442 334 T N -0.836 113.663 114.554 -0.092 0.000 2.951 334 T HA 0.110 4.460 4.350 0.000 0.000 0.268 334 T C 1.890 176.569 174.700 -0.035 0.000 1.073 334 T CA 1.557 63.629 62.100 -0.048 0.000 1.134 334 T CB -0.362 68.491 68.868 -0.025 0.000 0.884 334 T HN 0.505 nan 8.240 nan 0.000 0.479 335 A N 0.603 123.401 122.820 -0.037 0.000 1.929 335 A HA 0.445 4.765 4.320 0.000 0.000 0.216 335 A C 2.317 179.885 177.584 -0.026 0.000 1.176 335 A CA 1.346 53.373 52.037 -0.017 0.000 0.628 335 A CB -0.711 18.290 19.000 0.001 0.000 0.816 335 A HN 0.538 nan 8.150 nan 0.000 0.444 336 A N -1.233 121.553 122.820 -0.057 0.000 2.302 336 A HA 0.278 4.598 4.320 0.000 0.000 0.219 336 A C 0.588 178.137 177.584 -0.058 0.000 1.243 336 A CA 0.684 52.683 52.037 -0.063 0.000 0.856 336 A CB -0.392 18.543 19.000 -0.109 0.000 0.893 336 A HN 0.463 nan 8.150 nan 0.000 0.491 337 D N -0.651 119.721 120.400 -0.047 0.000 2.699 337 D HA -0.133 4.507 4.640 0.000 0.000 0.239 337 D C 0.125 176.397 176.300 -0.047 0.000 1.136 337 D CA 1.533 55.511 54.000 -0.037 0.000 0.668 337 D CB -1.028 39.757 40.800 -0.025 0.000 1.060 337 D HN 0.491 nan 8.370 nan 0.000 0.429 338 T N -1.235 113.281 114.554 -0.063 0.000 2.647 338 T HA 0.686 5.036 4.350 0.000 0.000 0.295 338 T C -0.619 174.040 174.700 -0.068 0.000 1.126 338 T CA -0.496 61.563 62.100 -0.068 0.000 1.040 338 T CB 1.403 70.218 68.868 -0.088 0.000 1.472 338 T HN 0.220 nan 8.240 nan 0.000 0.500 339 I N 0.369 120.909 120.570 -0.049 0.000 2.525 339 I HA 0.589 4.759 4.170 0.000 0.000 0.301 339 I C -1.778 174.294 176.117 -0.075 0.000 0.992 339 I CA -2.815 58.488 61.300 0.007 0.000 1.162 339 I CB 2.092 40.180 38.000 0.146 0.000 1.332 339 I HN 0.363 nan 8.210 nan 0.000 0.458 340 P HA -0.214 nan 4.420 nan 0.000 0.218 340 P C 1.280 178.303 177.300 -0.462 0.000 1.146 340 P CA 1.687 64.472 63.100 -0.526 0.000 0.813 340 P CB -0.118 31.285 31.700 -0.494 0.000 0.778 341 Y N 0.618 120.848 120.300 -0.116 0.000 2.102 341 Y HA -0.233 4.317 4.550 0.000 0.000 0.280 341 Y C 3.130 178.980 175.900 -0.084 0.000 1.178 341 Y CA 1.935 60.048 58.100 0.022 0.000 1.146 341 Y CB -1.346 37.112 38.460 -0.003 0.000 0.968 341 Y HN 0.058 nan 8.280 nan 0.000 0.504 342 Q N 0.471 120.286 119.800 0.024 0.000 2.046 342 Q HA -0.162 4.178 4.340 0.000 0.000 0.200 342 Q C 2.247 178.192 176.000 -0.090 0.000 0.975 342 Q CA 2.004 57.781 55.803 -0.043 0.000 0.836 342 Q CB -0.279 28.422 28.738 -0.061 0.000 0.896 342 Q HN 0.735 nan 8.270 nan 0.000 0.428 343 I N -2.658 117.767 120.570 -0.242 0.000 2.493 343 I HA -0.154 4.016 4.170 0.000 0.000 0.254 343 I C 1.769 177.804 176.117 -0.137 0.000 1.160 343 I CA 1.035 62.163 61.300 -0.286 0.000 1.445 343 I CB -0.556 37.075 38.000 -0.614 0.000 1.086 343 I HN 0.072 nan 8.210 nan 0.000 0.433 344 F N 1.182 121.043 119.950 -0.149 0.000 2.102 344 F HA -0.196 4.331 4.527 0.000 0.000 0.298 344 F C 2.743 178.526 175.800 -0.029 0.000 1.105 344 F CA 1.079 59.042 58.000 -0.061 0.000 1.239 344 F CB -0.437 38.547 39.000 -0.027 0.000 0.991 344 F HN 0.229 nan 8.300 nan 0.000 0.474 345 C N 0.150 119.542 119.300 0.154 0.000 2.435 345 C HA -0.136 4.324 4.460 0.000 0.000 0.279 345 C C 2.228 177.255 174.990 0.062 0.000 1.321 345 C CA 0.709 59.764 59.018 0.062 0.000 1.752 345 C CB -1.246 26.489 27.740 -0.008 0.000 1.959 345 C HN 0.436 nan 8.230 nan 0.000 0.500 346 N N 0.854 119.601 118.700 0.077 0.000 2.550 346 N HA 0.021 4.761 4.740 0.000 0.000 0.186 346 N C 0.291 175.871 175.510 0.116 0.000 1.110 346 N CA 0.191 53.293 53.050 0.086 0.000 0.912 346 N CB -0.431 38.108 38.487 0.086 0.000 0.968 346 N HN 0.442 nan 8.380 nan 0.000 0.448 347 L N 1.324 122.631 121.223 0.139 0.000 2.559 347 L HA -0.000 4.340 4.340 0.000 0.000 0.274 347 L C 0.205 177.114 176.870 0.065 0.000 1.205 347 L CA 0.981 55.894 54.840 0.123 0.000 0.907 347 L CB 0.139 42.266 42.059 0.113 0.000 1.153 347 L HN -0.055 nan 8.230 nan 0.000 0.490 348 K N 3.458 123.889 120.400 0.052 0.000 2.533 348 K HA 0.408 4.728 4.320 0.000 0.000 0.272 348 K C 0.210 176.817 176.600 0.013 0.000 0.985 348 K CA -0.512 55.794 56.287 0.032 0.000 0.876 348 K CB 2.232 34.755 32.500 0.039 0.000 1.452 348 K HN 0.521 nan 8.250 nan 0.000 0.439 349 R N -0.622 119.882 120.500 0.006 0.000 1.706 349 R HA -0.237 4.103 4.340 0.000 0.000 0.091 349 R C -0.018 176.272 176.300 -0.016 0.000 0.932 349 R CA 1.844 57.941 56.100 -0.005 0.000 1.944 349 R CB -1.889 28.405 30.300 -0.010 0.000 0.506 349 R HN 0.446 nan 8.270 nan 0.000 0.707 350 V N 1.205 121.104 119.914 -0.025 0.000 2.673 350 V HA 0.377 4.497 4.120 0.000 0.000 0.303 350 V C -1.783 174.287 176.094 -0.040 0.000 1.046 350 V CA -0.899 61.375 62.300 -0.042 0.000 1.126 350 V CB 0.390 32.174 31.823 -0.064 0.000 0.934 350 V HN 0.283 nan 8.190 nan 0.000 0.487 351 P HA 0.371 nan 4.420 nan 0.000 0.276 351 P C -0.842 176.412 177.300 -0.077 0.000 1.230 351 P CA -0.322 62.756 63.100 -0.037 0.000 0.776 351 P CB 0.631 32.315 31.700 -0.028 0.000 0.888 352 R N 2.296 122.740 120.500 -0.094 0.000 2.207 352 R HA 0.451 4.791 4.340 0.000 0.000 0.334 352 R C -0.222 175.883 176.300 -0.326 0.000 1.013 352 R CA -0.368 55.578 56.100 -0.256 0.000 0.858 352 R CB 0.448 30.538 30.300 -0.350 0.000 1.094 352 R HN 0.448 nan 8.270 nan 0.000 0.457 353 L N 4.686 125.727 121.223 -0.303 0.000 2.257 353 L HA 0.391 4.731 4.340 0.000 0.000 0.290 353 L C -0.688 176.032 176.870 -0.249 0.000 1.044 353 L CA -0.693 54.040 54.840 -0.179 0.000 0.810 353 L CB 0.497 42.508 42.059 -0.080 0.000 1.193 353 L HN 0.510 nan 8.230 nan 0.000 0.425 354 Y N 2.139 122.449 120.300 0.016 0.000 2.341 354 Y HA 0.431 4.981 4.550 0.000 0.000 0.340 354 Y C 0.767 176.677 175.900 0.018 0.000 0.997 354 Y CA -0.183 57.930 58.100 0.022 0.000 1.149 354 Y CB 1.553 40.025 38.460 0.020 0.000 1.171 354 Y HN 0.695 nan 8.280 nan 0.000 0.494 355 S N 1.261 117.042 115.700 0.136 0.000 2.973 355 S HA 0.972 5.442 4.470 0.000 0.000 0.317 355 S C -0.065 174.581 174.600 0.077 0.000 1.196 355 S CA -0.438 57.815 58.200 0.088 0.000 0.894 355 S CB 1.504 64.734 63.200 0.049 0.000 1.292 355 S HN 1.491 nan 8.310 nan 0.000 0.614 356 G N 0.000 108.832 108.800 0.053 0.000 5.446 356 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 356 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 356 G CA 0.000 45.127 45.100 0.044 0.000 0.502 356 G HN 0.000 nan 8.290 nan 0.000 0.925