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 3c2w_1_G DATA FIRST_RESID 5 DATA SEQUENCE TPVTLANCED EPIHVPGAIQ PHGALVTLRA DGMVLAASEN IQALLGFVAS DATA SEQUENCE PGSYLTQEQV GPEVLRMLEE GLTGNGPWSN SVETRIGEHL FDVIGHSYKE DATA SEQUENCE VFYLEFEIRT ADTLSITSFT LNAQRIIAQV QLHNDTASLL SNVTDELRRM DATA SEQUENCE TGYDRVMAYR FRHDDSGEVV AESRREDLES YLGQRYPASD IPAQARRLYI DATA SEQUENCE QNPIRLIADV AYTPMRVFPA LNPETNESFD LSYSVLRSVS PIHCEYLTNM DATA SEQUENCE GVRASMSISI VVGGKLWGLF SCHHMSPKLI PYPVRMSFQI FSQVCSAIVE DATA SEQUENCE RLEQGRIAEL LRVSTERRLA LARRARDADD LFGALAHPDD GIAALIPCDG DATA SEQUENCE ALVMLGGRTL SIRGDFERQA GNVLQRLQRD PERDIYHTDN WXXXXXXXXX DATA SEQUENCE XXDCCGVLAI RFHRQESGWI FWFRHEEVHR IRWGGKPEKL LTIGPSGPRL DATA SEQUENCE TPRGSFEAWE EVVRGHSTPW SETDLAIAEK LRLDLMELCL NHA 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.717 174.700 0.029 0.000 1.109 5 T CA 0.000 62.116 62.100 0.026 0.000 1.349 5 T CB 0.000 68.884 68.868 0.026 0.000 0.612 6 P HA 0.586 nan 4.420 nan 0.000 0.276 6 P C -0.454 176.866 177.300 0.033 0.000 1.244 6 P CA -0.860 62.258 63.100 0.030 0.000 0.801 6 P CB 0.505 32.221 31.700 0.027 0.000 1.006 7 V N -0.812 119.124 119.914 0.038 0.000 2.465 7 V HA 0.730 4.853 4.120 0.005 0.000 0.279 7 V C 0.006 176.125 176.094 0.041 0.000 1.045 7 V CA -0.208 62.117 62.300 0.041 0.000 0.938 7 V CB 0.553 32.405 31.823 0.049 0.000 0.986 7 V HN 0.837 nan 8.190 nan 0.000 0.467 8 T N 2.217 116.794 114.554 0.039 0.000 2.742 8 T HA 0.536 4.889 4.350 0.005 0.000 0.282 8 T C 0.680 175.405 174.700 0.042 0.000 1.025 8 T CA -0.831 61.292 62.100 0.039 0.000 1.020 8 T CB 1.214 70.101 68.868 0.032 0.000 1.317 8 T HN 0.325 nan 8.240 nan 0.000 0.538 9 L N 0.157 121.404 121.223 0.041 0.000 2.353 9 L HA 0.086 4.429 4.340 0.005 0.000 0.220 9 L C 2.699 179.591 176.870 0.036 0.000 1.133 9 L CA 1.900 56.766 54.840 0.043 0.000 0.798 9 L CB -2.159 39.925 42.059 0.043 0.000 0.922 9 L HN 0.949 nan 8.230 nan 0.000 0.445 10 A N -0.445 122.393 122.820 0.032 0.000 1.984 10 A HA -0.073 4.249 4.320 0.005 0.000 0.214 10 A C 2.044 179.645 177.584 0.028 0.000 1.173 10 A CA 0.817 52.870 52.037 0.027 0.000 0.673 10 A CB -0.327 18.687 19.000 0.024 0.000 0.830 10 A HN 0.356 nan 8.150 nan 0.000 0.453 11 N N -1.009 117.710 118.700 0.031 0.000 2.446 11 N HA -0.058 4.685 4.740 0.005 0.000 0.179 11 N C 1.360 176.891 175.510 0.036 0.000 1.054 11 N CA 0.750 53.820 53.050 0.033 0.000 0.905 11 N CB -0.593 37.916 38.487 0.035 0.000 0.973 11 N HN 0.492 nan 8.380 nan 0.000 0.448 12 C N 1.494 120.816 119.300 0.038 0.000 2.385 12 C HA -0.195 4.268 4.460 0.005 0.000 0.275 12 C C 2.035 177.045 174.990 0.033 0.000 1.207 12 C CA 1.605 60.648 59.018 0.041 0.000 1.760 12 C CB -0.821 26.946 27.740 0.046 0.000 2.051 12 C HN 0.595 nan 8.230 nan 0.000 0.467 13 E N -0.630 119.586 120.200 0.026 0.000 2.478 13 E HA 0.042 4.395 4.350 0.005 0.000 0.194 13 E C 0.891 177.499 176.600 0.014 0.000 1.045 13 E CA 0.755 57.165 56.400 0.016 0.000 0.868 13 E CB -0.233 29.475 29.700 0.013 0.000 0.885 13 E HN 0.516 nan 8.360 nan 0.000 0.505 14 D N 0.760 121.174 120.400 0.023 0.000 2.431 14 D HA 0.009 4.652 4.640 0.005 0.000 0.213 14 D C -0.324 176.002 176.300 0.042 0.000 1.130 14 D CA -0.009 54.007 54.000 0.027 0.000 0.834 14 D CB 0.232 41.048 40.800 0.027 0.000 0.985 14 D HN 0.312 nan 8.370 nan 0.000 0.504 15 E N 2.211 122.438 120.200 0.046 0.000 2.360 15 E HA 0.159 4.512 4.350 0.005 0.000 0.269 15 E C -2.385 174.271 176.600 0.094 0.000 1.022 15 E CA -1.627 54.812 56.400 0.064 0.000 0.887 15 E CB 1.103 30.838 29.700 0.059 0.000 0.990 15 E HN -0.179 nan 8.360 nan 0.000 0.426 16 P HA 0.206 nan 4.420 nan 0.000 0.273 16 P C -0.410 177.046 177.300 0.260 0.000 1.531 16 P CA -0.245 63.036 63.100 0.302 0.000 1.027 16 P CB 0.263 32.126 31.700 0.271 0.000 1.387 17 I N 0.955 121.674 120.570 0.248 0.000 3.812 17 I HA 0.007 4.180 4.170 0.005 0.000 0.320 17 I C 1.852 178.073 176.117 0.173 0.000 1.276 17 I CA 0.377 61.765 61.300 0.146 0.000 1.164 17 I CB -1.177 36.862 38.000 0.065 0.000 1.009 17 I HN 0.340 nan 8.210 nan 0.000 0.431 18 H N 0.988 120.059 119.070 0.002 0.000 2.520 18 H HA 0.231 4.790 4.556 0.005 0.000 0.279 18 H C 1.269 176.637 175.328 0.067 0.000 0.990 18 H CA 1.135 57.189 56.048 0.010 0.000 1.288 18 H CB -0.688 29.083 29.762 0.015 0.000 1.446 18 H HN 0.314 nan 8.280 nan 0.000 0.538 19 V N -0.758 118.959 119.914 -0.328 0.000 2.894 19 V HA 0.291 4.414 4.120 0.005 0.000 0.373 19 V C -1.844 174.220 176.094 -0.050 0.000 1.286 19 V CA -1.234 60.943 62.300 -0.205 0.000 1.331 19 V CB 0.720 32.338 31.823 -0.340 0.000 1.415 19 V HN 0.059 nan 8.190 nan 0.000 0.585 20 P HA 0.065 nan 4.420 nan 0.000 0.215 20 P C 1.421 178.736 177.300 0.025 0.000 1.153 20 P CA 2.267 65.384 63.100 0.029 0.000 0.853 20 P CB -0.087 31.643 31.700 0.050 0.000 0.788 21 G N -1.592 107.231 108.800 0.038 0.000 2.149 21 G HA2 0.050 4.013 3.960 0.005 0.000 0.235 21 G HA3 0.050 4.013 3.960 0.005 0.000 0.235 21 G C 0.160 175.031 174.900 -0.048 0.000 1.018 21 G CA -0.104 45.008 45.100 0.020 0.000 0.728 21 G HN 0.773 nan 8.290 nan 0.000 0.508 22 A N -0.813 121.999 122.820 -0.013 0.000 2.609 22 A HA 0.995 5.318 4.320 0.005 0.000 0.291 22 A C -0.362 177.244 177.584 0.037 0.000 1.096 22 A CA -0.218 51.806 52.037 -0.021 0.000 0.684 22 A CB 1.590 20.585 19.000 -0.007 0.000 1.282 22 A HN 1.867 nan 8.150 nan 0.000 0.412 23 I N -2.367 118.236 120.570 0.056 0.000 3.279 23 I HA 0.580 4.752 4.170 0.005 0.000 0.315 23 I C -0.980 175.248 176.117 0.185 0.000 1.187 23 I CA -1.007 60.352 61.300 0.099 0.000 0.953 23 I CB 1.815 39.844 38.000 0.048 0.000 1.279 23 I HN 0.699 nan 8.210 nan 0.000 0.465 24 Q N 1.666 121.579 119.800 0.189 0.000 2.260 24 Q HA 0.336 4.679 4.340 0.005 0.000 0.242 24 Q C -2.005 174.100 176.000 0.175 0.000 0.932 24 Q CA -1.487 54.498 55.803 0.302 0.000 0.891 24 Q CB 1.369 30.258 28.738 0.250 0.000 1.222 24 Q HN 0.455 nan 8.270 nan 0.000 0.453 25 P HA -0.190 nan 4.420 nan 0.000 0.217 25 P C 0.639 178.004 177.300 0.108 0.000 1.150 25 P CA 1.434 64.625 63.100 0.152 0.000 0.832 25 P CB -0.019 31.787 31.700 0.177 0.000 0.787 26 H N -1.845 117.285 119.070 0.101 0.000 2.541 26 H HA 0.096 4.655 4.556 0.004 0.000 0.289 26 H C 0.918 176.305 175.328 0.099 0.000 1.054 26 H CA 0.752 56.847 56.048 0.078 0.000 1.250 26 H CB -0.653 29.143 29.762 0.057 0.000 1.369 26 H HN 0.075 nan 8.280 nan 0.000 0.578 27 G N -1.185 107.431 108.800 -0.308 0.000 2.798 27 G HA2 0.729 4.692 3.960 0.005 0.000 0.286 27 G HA3 0.729 4.692 3.960 0.005 0.000 0.286 27 G C -1.611 173.282 174.900 -0.011 0.000 1.389 27 G CA -0.825 44.194 45.100 -0.136 0.000 0.894 27 G HN 0.597 nan 8.290 nan 0.000 0.488 28 A N -0.803 122.072 122.820 0.092 0.000 2.486 28 A HA 0.756 5.079 4.320 0.005 0.000 0.300 28 A C -1.541 176.149 177.584 0.178 0.000 1.048 28 A CA -0.521 51.576 52.037 0.100 0.000 0.696 28 A CB 1.973 21.009 19.000 0.061 0.000 1.278 28 A HN 1.537 nan 8.150 nan 0.000 0.405 29 L N 1.971 123.264 121.223 0.117 0.000 2.342 29 L HA 0.885 5.228 4.340 0.005 0.000 0.271 29 L C -1.348 175.589 176.870 0.111 0.000 1.008 29 L CA -0.437 54.479 54.840 0.127 0.000 0.818 29 L CB 2.206 44.316 42.059 0.085 0.000 1.296 29 L HN 0.479 nan 8.230 nan 0.000 0.427 30 V N 2.516 122.509 119.914 0.131 0.000 2.524 30 V HA 0.445 4.568 4.120 0.005 0.000 0.297 30 V C -0.321 175.757 176.094 -0.027 0.000 1.035 30 V CA -0.298 62.044 62.300 0.069 0.000 0.867 30 V CB 1.900 33.834 31.823 0.185 0.000 1.004 30 V HN 0.883 nan 8.190 nan 0.000 0.426 31 T N 3.928 118.369 114.554 -0.187 0.000 2.767 31 T HA 0.795 5.148 4.350 0.005 0.000 0.288 31 T C -0.732 173.815 174.700 -0.255 0.000 0.963 31 T CA -0.476 61.392 62.100 -0.387 0.000 1.019 31 T CB 1.067 69.496 68.868 -0.731 0.000 0.923 31 T HN 0.173 nan 8.240 nan 0.000 0.468 32 L N 2.747 123.843 121.223 -0.212 0.000 2.303 32 L HA 0.700 5.043 4.340 0.005 0.000 0.266 32 L C 0.628 177.445 176.870 -0.088 0.000 1.011 32 L CA -0.989 53.765 54.840 -0.144 0.000 0.818 32 L CB 1.838 43.809 42.059 -0.146 0.000 1.326 32 L HN 0.934 nan 8.230 nan 0.000 0.435 33 R N 0.513 120.944 120.500 -0.115 0.000 2.730 33 R HA 0.800 5.143 4.340 0.005 0.000 0.228 33 R C 0.516 176.747 176.300 -0.115 0.000 1.312 33 R CA -0.071 56.004 56.100 -0.042 0.000 1.093 33 R CB 0.389 30.660 30.300 -0.048 0.000 1.583 33 R HN 0.523 nan 8.270 nan 0.000 0.535 34 A N -0.013 122.783 122.820 -0.039 0.000 2.209 34 A HA -0.102 4.221 4.320 0.005 0.000 0.212 34 A C 0.834 178.288 177.584 -0.217 0.000 1.158 34 A CA 1.364 53.351 52.037 -0.083 0.000 0.742 34 A CB -0.658 18.382 19.000 0.065 0.000 0.790 34 A HN 0.853 nan 8.150 nan 0.000 0.472 35 D N -4.068 116.213 120.400 -0.199 0.000 2.449 35 D HA 0.325 4.967 4.640 0.005 0.000 0.210 35 D C 1.117 177.292 176.300 -0.207 0.000 1.094 35 D CA 1.105 55.015 54.000 -0.150 0.000 0.846 35 D CB -0.032 40.752 40.800 -0.026 0.000 1.003 35 D HN 0.555 nan 8.370 nan 0.000 0.504 36 G N 0.305 108.874 108.800 -0.385 0.000 2.380 36 G HA2 -0.219 3.744 3.960 0.005 0.000 0.197 36 G HA3 -0.219 3.744 3.960 0.005 0.000 0.197 36 G C 0.196 174.653 174.900 -0.738 0.000 1.001 36 G CA -0.052 44.760 45.100 -0.480 0.000 0.668 36 G HN 0.384 nan 8.290 nan 0.000 0.483 37 M N 2.647 121.669 119.600 -0.963 0.000 2.251 37 M HA 0.454 4.937 4.480 0.005 0.000 0.343 37 M C 0.389 176.452 176.300 -0.394 0.000 1.245 37 M CA 0.138 54.909 55.300 -0.882 0.000 1.061 37 M CB 0.774 33.058 32.600 -0.526 0.000 1.723 37 M HN 0.018 nan 8.290 nan 0.000 0.449 38 V N 7.208 126.961 119.914 -0.267 0.000 2.614 38 V HA 0.025 4.148 4.120 0.005 0.000 0.291 38 V C 0.823 176.879 176.094 -0.063 0.000 1.049 38 V CA 0.134 62.358 62.300 -0.126 0.000 1.038 38 V CB 1.194 32.982 31.823 -0.058 0.000 0.980 38 V HN 0.965 nan 8.190 nan 0.000 0.481 39 L N 3.753 124.955 121.223 -0.035 0.000 2.609 39 L HA 0.627 4.970 4.340 0.005 0.000 0.230 39 L C 0.676 177.590 176.870 0.075 0.000 1.064 39 L CA 0.819 55.699 54.840 0.067 0.000 0.873 39 L CB 0.474 42.650 42.059 0.194 0.000 1.139 39 L HN 0.793 nan 8.230 nan 0.000 0.490 40 A N -0.603 122.171 122.820 -0.076 0.000 2.483 40 A HA 0.861 5.184 4.320 0.005 0.000 0.294 40 A C -1.854 175.644 177.584 -0.143 0.000 1.077 40 A CA 0.082 52.056 52.037 -0.106 0.000 0.633 40 A CB 0.843 19.707 19.000 -0.226 0.000 1.318 40 A HN 0.014 nan 8.150 nan 0.000 0.455 41 A N -0.375 122.394 122.820 -0.086 0.000 2.586 41 A HA 0.783 5.106 4.320 0.005 0.000 0.291 41 A C -0.134 177.435 177.584 -0.026 0.000 1.062 41 A CA 0.245 52.248 52.037 -0.056 0.000 0.666 41 A CB 0.216 19.213 19.000 -0.006 0.000 1.281 41 A HN 2.380 nan 8.150 nan 0.000 0.421 42 S N 0.084 115.770 115.700 -0.023 0.000 2.579 42 S HA 0.310 4.783 4.470 0.005 0.000 0.275 42 S C 0.726 175.352 174.600 0.045 0.000 1.345 42 S CA 0.333 58.525 58.200 -0.014 0.000 1.031 42 S CB 0.690 63.888 63.200 -0.004 0.000 0.892 42 S HN 0.981 nan 8.310 nan 0.000 0.529 43 E N 0.727 120.986 120.200 0.099 0.000 2.526 43 E HA -0.123 4.230 4.350 0.005 0.000 0.198 43 E C 0.769 177.410 176.600 0.069 0.000 1.091 43 E CA 0.573 57.073 56.400 0.167 0.000 0.880 43 E CB -0.428 29.463 29.700 0.318 0.000 0.873 43 E HN 0.760 nan 8.360 nan 0.000 0.527 44 N N 1.352 120.069 118.700 0.028 0.000 2.187 44 N HA -0.022 4.721 4.740 0.005 0.000 0.212 44 N C 1.441 176.919 175.510 -0.053 0.000 1.152 44 N CA 0.152 53.203 53.050 0.003 0.000 0.872 44 N CB -0.154 38.346 38.487 0.023 0.000 1.025 44 N HN 0.271 nan 8.380 nan 0.000 0.514 45 I N -0.630 119.881 120.570 -0.098 0.000 2.335 45 I HA -0.191 3.982 4.170 0.005 0.000 0.251 45 I C 2.348 178.284 176.117 -0.301 0.000 1.129 45 I CA 1.136 62.288 61.300 -0.246 0.000 1.402 45 I CB -0.759 37.068 38.000 -0.289 0.000 1.069 45 I HN -0.000 nan 8.210 nan 0.000 0.424 46 Q N 1.273 120.969 119.800 -0.175 0.000 1.975 46 Q HA -0.198 4.145 4.340 0.005 0.000 0.205 46 Q C 2.469 178.402 176.000 -0.113 0.000 0.990 46 Q CA 2.358 58.077 55.803 -0.140 0.000 0.845 46 Q CB -0.370 28.330 28.738 -0.064 0.000 0.913 46 Q HN 0.713 nan 8.270 nan 0.000 0.420 47 A N 0.023 122.809 122.820 -0.057 0.000 1.970 47 A HA -0.089 4.234 4.320 0.005 0.000 0.216 47 A C 1.899 179.496 177.584 0.022 0.000 1.170 47 A CA 0.697 52.729 52.037 -0.008 0.000 0.645 47 A CB -0.266 18.745 19.000 0.018 0.000 0.816 47 A HN 0.304 nan 8.150 nan 0.000 0.447 48 L N -0.926 120.296 121.223 -0.002 0.000 2.162 48 L HA 0.168 4.511 4.340 0.005 0.000 0.205 48 L C 2.079 178.962 176.870 0.022 0.000 1.086 48 L CA 1.390 56.282 54.840 0.087 0.000 0.778 48 L CB -0.171 41.939 42.059 0.085 0.000 0.928 48 L HN 0.347 nan 8.230 nan 0.000 0.446 49 L N -2.104 118.952 121.223 -0.279 0.000 2.286 49 L HA 0.301 4.644 4.340 0.005 0.000 0.203 49 L C 1.739 178.407 176.870 -0.337 0.000 1.068 49 L CA 0.825 55.338 54.840 -0.546 0.000 0.811 49 L CB -0.128 41.281 42.059 -1.083 0.000 0.989 49 L HN 0.439 nan 8.230 nan 0.000 0.467 50 G N -0.137 108.495 108.800 -0.280 0.000 2.391 50 G HA2 -0.245 3.718 3.960 0.005 0.000 0.204 50 G HA3 -0.245 3.718 3.960 0.005 0.000 0.204 50 G C 0.191 175.069 174.900 -0.036 0.000 1.012 50 G CA 0.077 45.120 45.100 -0.096 0.000 0.651 50 G HN 0.253 nan 8.290 nan 0.000 0.494 51 F N 0.003 119.890 119.950 -0.105 0.000 2.697 51 F HA 0.913 5.442 4.527 0.003 0.000 0.386 51 F C -0.229 175.528 175.800 -0.071 0.000 1.154 51 F CA -1.859 56.091 58.000 -0.082 0.000 1.108 51 F CB 1.401 40.346 39.000 -0.090 0.000 1.429 51 F HN 0.154 nan 8.300 nan 0.000 0.509 52 V N 1.261 121.313 119.914 0.231 0.000 2.482 52 V HA 0.656 4.779 4.120 0.005 0.000 0.295 52 V C -0.355 175.871 176.094 0.220 0.000 1.026 52 V CA -1.006 61.357 62.300 0.104 0.000 0.856 52 V CB 0.971 32.824 31.823 0.049 0.000 1.001 52 V HN 1.111 nan 8.190 nan 0.000 0.424 53 A N 3.804 126.737 122.820 0.188 0.000 2.350 53 A HA 0.603 4.926 4.320 0.005 0.000 0.293 53 A C 0.653 178.292 177.584 0.092 0.000 1.231 53 A CA -0.027 52.117 52.037 0.177 0.000 0.883 53 A CB 0.179 19.284 19.000 0.175 0.000 1.133 53 A HN 1.130 nan 8.150 nan 0.000 0.533 54 S N 3.480 119.226 115.700 0.076 0.000 2.489 54 S HA 0.508 4.981 4.470 0.005 0.000 0.277 54 S C -2.720 171.907 174.600 0.046 0.000 1.230 54 S CA -1.434 56.798 58.200 0.054 0.000 1.053 54 S CB 0.566 63.794 63.200 0.046 0.000 0.955 54 S HN 0.427 nan 8.310 nan 0.000 0.488 55 P HA 0.221 nan 4.420 nan 0.000 0.260 55 P C 1.158 178.480 177.300 0.037 0.000 1.185 55 P CA 1.324 64.446 63.100 0.038 0.000 0.763 55 P CB 0.146 31.878 31.700 0.053 0.000 0.776 56 G N 2.270 111.087 108.800 0.027 0.000 2.491 56 G HA2 -0.230 3.733 3.960 0.005 0.000 0.203 56 G HA3 -0.230 3.733 3.960 0.005 0.000 0.203 56 G C 0.503 175.468 174.900 0.109 0.000 1.052 56 G CA 0.107 45.241 45.100 0.056 0.000 0.675 56 G HN 0.766 nan 8.290 nan 0.000 0.504 57 S N 0.528 116.283 115.700 0.091 0.000 2.560 57 S HA 0.514 4.987 4.470 0.005 0.000 0.284 57 S C 0.178 174.868 174.600 0.150 0.000 1.327 57 S CA -0.224 58.056 58.200 0.134 0.000 1.055 57 S CB 0.148 63.393 63.200 0.074 0.000 0.868 57 S HN 0.384 nan 8.310 nan 0.000 0.506 58 Y N 3.080 123.354 120.300 -0.044 0.000 2.310 58 Y HA 0.341 4.894 4.550 0.004 0.000 0.326 58 Y C 0.742 176.598 175.900 -0.073 0.000 1.151 58 Y CA -1.476 56.588 58.100 -0.060 0.000 1.195 58 Y CB 0.667 39.085 38.460 -0.070 0.000 1.210 58 Y HN 0.413 nan 8.280 nan 0.000 0.483 59 L N 2.579 123.820 121.223 0.031 0.000 2.529 59 L HA 0.006 4.348 4.340 0.005 0.000 0.287 59 L C 0.614 177.447 176.870 -0.062 0.000 1.241 59 L CA 0.589 55.402 54.840 -0.046 0.000 0.857 59 L CB 0.008 42.042 42.059 -0.041 0.000 1.113 59 L HN 0.777 nan 8.230 nan 0.000 0.504 60 T N -0.626 113.833 114.554 -0.158 0.000 2.932 60 T HA 0.256 4.609 4.350 0.005 0.000 0.289 60 T C 0.495 175.102 174.700 -0.155 0.000 1.039 60 T CA -0.739 61.278 62.100 -0.139 0.000 1.024 60 T CB 1.683 70.461 68.868 -0.149 0.000 1.090 60 T HN 0.550 nan 8.240 nan 0.000 0.496 61 Q N -0.314 119.424 119.800 -0.103 0.000 2.515 61 Q HA -0.041 4.302 4.340 0.005 0.000 0.212 61 Q C 1.330 177.273 176.000 -0.094 0.000 0.970 61 Q CA 0.753 56.507 55.803 -0.082 0.000 0.941 61 Q CB 0.122 28.828 28.738 -0.053 0.000 0.998 61 Q HN 0.846 nan 8.270 nan 0.000 0.518 62 E N -0.564 119.556 120.200 -0.135 0.000 2.307 62 E HA -0.059 4.294 4.350 0.005 0.000 0.195 62 E C 1.449 177.925 176.600 -0.208 0.000 0.975 62 E CA 0.564 56.885 56.400 -0.133 0.000 0.878 62 E CB 0.368 29.997 29.700 -0.118 0.000 0.845 62 E HN 0.280 nan 8.360 nan 0.000 0.488 63 Q N -0.727 118.845 119.800 -0.379 0.000 2.107 63 Q HA 0.080 4.422 4.340 0.005 0.000 0.195 63 Q C 1.167 176.883 176.000 -0.473 0.000 0.964 63 Q CA 1.388 56.702 55.803 -0.815 0.000 0.833 63 Q CB 0.754 28.594 28.738 -1.497 0.000 0.910 63 Q HN 0.186 nan 8.270 nan 0.000 0.465 64 V N -0.496 119.262 119.914 -0.261 0.000 3.276 64 V HA 0.343 4.465 4.120 0.005 0.000 0.319 64 V C 0.465 176.577 176.094 0.030 0.000 1.427 64 V CA 0.081 62.368 62.300 -0.021 0.000 1.102 64 V CB -0.149 31.727 31.823 0.089 0.000 1.020 64 V HN 0.490 nan 8.190 nan 0.000 0.456 65 G N 1.816 110.606 108.800 -0.015 0.000 2.846 65 G HA2 -0.154 3.809 3.960 0.005 0.000 0.660 65 G HA3 -0.154 3.809 3.960 0.005 0.000 0.660 65 G C -1.702 173.207 174.900 0.015 0.000 1.464 65 G CA -0.133 44.974 45.100 0.013 0.000 0.891 65 G HN 0.310 nan 8.290 nan 0.000 0.552 66 P HA 0.026 nan 4.420 nan 0.000 0.212 66 P C 1.573 178.888 177.300 0.026 0.000 1.180 66 P CA 1.969 65.076 63.100 0.013 0.000 0.902 66 P CB -0.086 31.622 31.700 0.013 0.000 0.778 67 E N -0.234 119.990 120.200 0.040 0.000 2.333 67 E HA -0.085 4.268 4.350 0.005 0.000 0.198 67 E C 1.760 178.399 176.600 0.065 0.000 1.007 67 E CA 0.658 57.088 56.400 0.049 0.000 0.845 67 E CB -1.700 28.032 29.700 0.053 0.000 0.766 67 E HN 0.082 nan 8.360 nan 0.000 0.507 68 V N 0.867 120.826 119.914 0.074 0.000 2.488 68 V HA -0.148 3.975 4.120 0.005 0.000 0.246 68 V C 2.137 178.275 176.094 0.072 0.000 1.046 68 V CA 1.221 63.578 62.300 0.096 0.000 1.053 68 V CB -0.424 31.482 31.823 0.137 0.000 0.679 68 V HN 0.282 nan 8.190 nan 0.000 0.458 69 L N -0.644 120.603 121.223 0.039 0.000 2.044 69 L HA -0.118 4.225 4.340 0.005 0.000 0.205 69 L C 2.757 179.622 176.870 -0.007 0.000 1.075 69 L CA 1.450 56.291 54.840 0.002 0.000 0.747 69 L CB -0.733 41.319 42.059 -0.013 0.000 0.903 69 L HN 0.214 nan 8.230 nan 0.000 0.435 70 R N -0.203 120.303 120.500 0.010 0.000 2.159 70 R HA -0.294 4.049 4.340 0.005 0.000 0.249 70 R C 2.331 178.645 176.300 0.024 0.000 1.136 70 R CA 2.375 58.483 56.100 0.013 0.000 0.951 70 R CB -0.458 29.859 30.300 0.028 0.000 0.876 70 R HN 0.364 nan 8.270 nan 0.000 0.440 71 M N 0.300 119.939 119.600 0.065 0.000 2.064 71 M HA -0.156 4.327 4.480 0.005 0.000 0.260 71 M C 2.130 178.457 176.300 0.044 0.000 1.073 71 M CA 1.487 56.868 55.300 0.135 0.000 1.124 71 M CB -0.185 32.550 32.600 0.226 0.000 1.326 71 M HN 0.236 nan 8.290 nan 0.000 0.410 72 L N 0.767 121.979 121.223 -0.018 0.000 2.137 72 L HA -0.264 4.079 4.340 0.005 0.000 0.213 72 L C 2.003 178.644 176.870 -0.381 0.000 1.085 72 L CA 2.250 56.947 54.840 -0.240 0.000 0.760 72 L CB -1.079 40.895 42.059 -0.141 0.000 0.893 72 L HN 0.457 nan 8.230 nan 0.000 0.434 73 E N 0.621 120.690 120.200 -0.219 0.000 2.028 73 E HA -0.240 4.113 4.350 0.005 0.000 0.190 73 E C 2.038 178.508 176.600 -0.217 0.000 0.984 73 E CA 1.695 57.971 56.400 -0.207 0.000 0.800 73 E CB -0.206 29.427 29.700 -0.111 0.000 0.758 73 E HN 0.687 nan 8.360 nan 0.000 0.448 74 E N -0.807 119.310 120.200 -0.137 0.000 2.333 74 E HA -0.123 4.230 4.350 0.005 0.000 0.198 74 E C 1.874 178.373 176.600 -0.170 0.000 1.007 74 E CA 1.029 57.382 56.400 -0.078 0.000 0.845 74 E CB -0.313 29.407 29.700 0.033 0.000 0.766 74 E HN 0.306 nan 8.360 nan 0.000 0.507 75 G N 1.225 109.709 108.800 -0.526 0.000 2.396 75 G HA2 -0.141 3.822 3.960 0.005 0.000 0.214 75 G HA3 -0.141 3.822 3.960 0.005 0.000 0.214 75 G C 1.469 176.140 174.900 -0.382 0.000 1.166 75 G CA 0.396 44.818 45.100 -1.129 0.000 0.793 75 G HN 0.136 nan 8.290 nan 0.000 0.533 76 L N 1.434 122.358 121.223 -0.499 0.000 2.179 76 L HA 0.062 4.404 4.340 0.005 0.000 0.208 76 L C 3.054 179.842 176.870 -0.137 0.000 1.096 76 L CA 1.949 56.530 54.840 -0.430 0.000 0.779 76 L CB -0.491 41.214 42.059 -0.589 0.000 0.922 76 L HN 0.346 nan 8.230 nan 0.000 0.443 77 T N -3.688 110.796 114.554 -0.115 0.000 3.067 77 T HA 0.085 4.438 4.350 0.005 0.000 0.261 77 T C 1.296 176.003 174.700 0.013 0.000 1.110 77 T CA 0.419 62.493 62.100 -0.043 0.000 1.113 77 T CB -0.551 68.290 68.868 -0.045 0.000 0.917 77 T HN 0.261 nan 8.240 nan 0.000 0.499 78 G N 2.892 111.716 108.800 0.039 0.000 2.716 78 G HA2 0.264 4.227 3.960 0.005 0.000 0.296 78 G HA3 0.264 4.227 3.960 0.005 0.000 0.296 78 G C 0.796 175.771 174.900 0.124 0.000 0.811 78 G CA -0.543 44.615 45.100 0.098 0.000 1.758 78 G HN 0.457 nan 8.290 nan 0.000 0.512 79 N N 2.240 120.993 118.700 0.088 0.000 2.133 79 N HA -0.160 4.583 4.740 0.005 0.000 0.193 79 N C 1.508 177.070 175.510 0.088 0.000 1.012 79 N CA 1.306 54.406 53.050 0.083 0.000 0.871 79 N CB -0.619 37.901 38.487 0.056 0.000 1.011 79 N HN 0.488 nan 8.380 nan 0.000 0.435 80 G N 0.313 109.168 108.800 0.091 0.000 2.583 80 G HA2 0.342 4.305 3.960 0.005 0.000 0.275 80 G HA3 0.342 4.305 3.960 0.005 0.000 0.275 80 G C -2.359 172.597 174.900 0.093 0.000 1.342 80 G CA -0.835 44.312 45.100 0.080 0.000 1.030 80 G HN 0.185 nan 8.290 nan 0.000 0.520 81 P HA 0.146 nan 4.420 nan 0.000 0.281 81 P C -1.203 176.155 177.300 0.096 0.000 1.286 81 P CA -0.236 62.888 63.100 0.040 0.000 0.772 81 P CB 0.643 32.333 31.700 -0.016 0.000 0.862 82 W N 4.774 126.025 121.300 -0.081 0.000 2.332 82 W HA 0.501 5.163 4.660 0.004 0.000 0.306 82 W C -0.675 175.846 176.519 0.003 0.000 1.149 82 W CA -0.049 57.285 57.345 -0.019 0.000 1.271 82 W CB 0.854 30.337 29.460 0.038 0.000 1.243 82 W HN 0.223 nan 8.180 nan 0.000 0.459 83 S N 6.559 121.896 115.700 -0.604 0.000 2.614 83 S HA 0.548 5.021 4.470 0.005 0.000 0.288 83 S C -1.125 173.063 174.600 -0.687 0.000 1.137 83 S CA -0.626 57.155 58.200 -0.698 0.000 0.992 83 S CB 0.496 63.527 63.200 -0.282 0.000 1.026 83 S HN 0.768 nan 8.310 nan 0.000 0.486 84 N N 1.136 119.367 118.700 -0.781 0.000 3.308 84 N HA 0.559 5.302 4.740 0.005 0.000 0.276 84 N C -2.024 173.347 175.510 -0.231 0.000 1.533 84 N CA -0.502 52.334 53.050 -0.356 0.000 0.878 84 N CB 1.713 40.109 38.487 -0.153 0.000 1.566 84 N HN 0.685 nan 8.380 nan 0.000 0.546 85 S N 0.206 115.854 115.700 -0.087 0.000 2.537 85 S HA 0.691 5.164 4.470 0.005 0.000 0.271 85 S C -1.574 173.014 174.600 -0.020 0.000 1.148 85 S CA -0.510 57.632 58.200 -0.097 0.000 0.868 85 S CB 1.390 64.522 63.200 -0.113 0.000 1.115 85 S HN 0.310 nan 8.310 nan 0.000 0.461 86 V N 1.281 121.182 119.914 -0.021 0.000 3.130 86 V HA 0.659 4.782 4.120 0.005 0.000 0.310 86 V C -0.730 175.386 176.094 0.035 0.000 1.158 86 V CA -0.845 61.471 62.300 0.027 0.000 1.029 86 V CB 1.997 33.855 31.823 0.060 0.000 1.057 86 V HN 1.020 nan 8.190 nan 0.000 0.436 87 E N 0.783 121.021 120.200 0.063 0.000 2.149 87 E HA 0.550 4.903 4.350 0.005 0.000 0.255 87 E C -0.906 175.762 176.600 0.113 0.000 0.888 87 E CA -0.036 56.418 56.400 0.090 0.000 0.742 87 E CB 1.504 31.251 29.700 0.078 0.000 1.164 87 E HN 0.802 nan 8.360 nan 0.000 0.422 88 T N 2.349 116.999 114.554 0.160 0.000 2.940 88 T HA 0.480 4.833 4.350 0.005 0.000 0.288 88 T C -0.953 173.880 174.700 0.222 0.000 1.045 88 T CA -0.771 61.428 62.100 0.165 0.000 1.018 88 T CB 1.014 69.979 68.868 0.162 0.000 1.151 88 T HN 0.453 nan 8.240 nan 0.000 0.529 89 R N 2.420 123.031 120.500 0.185 0.000 2.393 89 R HA 0.660 5.003 4.340 0.005 0.000 0.310 89 R C -1.281 175.141 176.300 0.203 0.000 0.968 89 R CA -0.519 55.709 56.100 0.213 0.000 0.867 89 R CB 0.512 30.891 30.300 0.132 0.000 1.124 89 R HN 0.583 nan 8.270 nan 0.000 0.450 90 I N 5.911 126.657 120.570 0.293 0.000 2.521 90 I HA 0.341 4.514 4.170 0.005 0.000 0.277 90 I C 0.602 176.811 176.117 0.153 0.000 1.054 90 I CA -0.079 61.311 61.300 0.151 0.000 1.117 90 I CB 1.607 39.567 38.000 -0.067 0.000 1.217 90 I HN 1.117 nan 8.210 nan 0.000 0.469 91 G N 4.719 113.561 108.800 0.070 0.000 2.552 91 G HA2 -0.337 3.626 3.960 0.005 0.000 0.267 91 G HA3 -0.337 3.626 3.960 0.005 0.000 0.267 91 G C 0.643 175.516 174.900 -0.044 0.000 1.174 91 G CA 0.713 45.818 45.100 0.009 0.000 0.955 91 G HN 0.549 nan 8.290 nan 0.000 0.546 92 E N 0.726 120.808 120.200 -0.196 0.000 2.008 92 E HA 0.043 4.396 4.350 0.005 0.000 0.191 92 E C 1.484 177.936 176.600 -0.247 0.000 0.986 92 E CA 1.799 58.015 56.400 -0.307 0.000 0.807 92 E CB -0.194 29.169 29.700 -0.562 0.000 0.766 92 E HN 0.722 nan 8.360 nan 0.000 0.450 93 H N 0.025 119.132 119.070 0.061 0.000 2.523 93 H HA 0.334 4.892 4.556 0.005 0.000 0.345 93 H C 0.330 175.649 175.328 -0.016 0.000 1.261 93 H CA -0.928 55.089 56.048 -0.052 0.000 1.343 93 H CB 0.431 30.067 29.762 -0.211 0.000 1.650 93 H HN 0.153 nan 8.280 nan 0.000 0.591 94 L N -1.114 120.121 121.223 0.021 0.000 2.313 94 L HA 0.649 4.991 4.340 0.005 0.000 0.268 94 L C -1.211 175.605 176.870 -0.089 0.000 1.010 94 L CA -0.977 53.931 54.840 0.114 0.000 0.814 94 L CB 0.551 42.685 42.059 0.125 0.000 1.304 94 L HN 0.420 nan 8.230 nan 0.000 0.441 95 F N -0.852 119.181 119.950 0.138 0.000 2.611 95 F HA 0.504 5.033 4.527 0.004 0.000 0.324 95 F C 0.123 175.991 175.800 0.113 0.000 1.061 95 F CA -0.616 57.477 58.000 0.155 0.000 0.954 95 F CB 1.615 40.763 39.000 0.247 0.000 1.301 95 F HN 0.449 nan 8.300 nan 0.000 0.482 96 D N 1.634 122.194 120.400 0.267 0.000 2.317 96 D HA 0.347 4.989 4.640 0.005 0.000 0.234 96 D C -0.962 175.350 176.300 0.020 0.000 1.112 96 D CA 0.084 54.143 54.000 0.097 0.000 0.840 96 D CB 1.996 42.810 40.800 0.023 0.000 1.078 96 D HN 0.092 nan 8.370 nan 0.000 0.486 97 V N 5.547 125.430 119.914 -0.053 0.000 2.318 97 V HA 0.300 4.423 4.120 0.005 0.000 0.271 97 V C 0.499 176.423 176.094 -0.283 0.000 1.030 97 V CA -0.603 61.569 62.300 -0.214 0.000 0.844 97 V CB 0.725 32.486 31.823 -0.103 0.000 1.015 97 V HN 0.339 nan 8.190 nan 0.000 0.460 98 I N 2.218 122.564 120.570 -0.374 0.000 2.474 98 I HA 1.022 5.195 4.170 0.005 0.000 0.294 98 I C 0.152 176.137 176.117 -0.220 0.000 1.005 98 I CA -0.504 60.574 61.300 -0.371 0.000 1.113 98 I CB 2.181 39.817 38.000 -0.607 0.000 1.289 98 I HN 0.574 nan 8.210 nan 0.000 0.436 99 G N 3.668 112.330 108.800 -0.231 0.000 2.660 99 G HA2 0.764 4.727 3.960 0.005 0.000 0.294 99 G HA3 0.764 4.727 3.960 0.005 0.000 0.294 99 G C -1.564 173.036 174.900 -0.500 0.000 1.369 99 G CA -0.640 44.342 45.100 -0.197 0.000 0.912 99 G HN 1.073 nan 8.290 nan 0.000 0.479 100 H N -2.096 116.809 119.070 -0.275 0.000 2.942 100 H HA 0.814 5.372 4.556 0.004 0.000 0.316 100 H C -1.068 174.328 175.328 0.113 0.000 1.323 100 H CA -0.807 55.079 56.048 -0.270 0.000 1.144 100 H CB 1.877 31.535 29.762 -0.175 0.000 1.866 100 H HN 0.593 nan 8.280 nan 0.000 0.545 101 S N 1.026 116.758 115.700 0.053 0.000 2.774 101 S HA 0.363 4.836 4.470 0.005 0.000 0.297 101 S C -2.008 172.635 174.600 0.072 0.000 1.143 101 S CA -0.591 57.526 58.200 -0.140 0.000 1.090 101 S CB -0.093 62.878 63.200 -0.381 0.000 1.019 101 S HN 0.569 nan 8.310 nan 0.000 0.482 102 Y N 5.359 125.695 120.300 0.059 0.000 2.409 102 Y HA 0.584 5.136 4.550 0.004 0.000 0.343 102 Y C 0.405 176.384 175.900 0.132 0.000 0.973 102 Y CA -0.419 57.705 58.100 0.039 0.000 1.064 102 Y CB 0.683 39.201 38.460 0.097 0.000 1.207 102 Y HN 0.815 nan 8.280 nan 0.000 0.452 103 K N 1.840 121.889 120.400 -0.585 0.000 1.882 103 K HA -0.284 4.039 4.320 0.005 0.000 0.199 103 K C 0.167 176.695 176.600 -0.120 0.000 1.562 103 K CA 1.816 57.886 56.287 -0.362 0.000 0.515 103 K CB -0.872 31.442 32.500 -0.310 0.000 0.682 103 K HN 0.947 nan 8.250 nan 0.000 0.843 104 E N 0.821 120.992 120.200 -0.048 0.000 2.501 104 E HA 0.176 4.529 4.350 0.005 0.000 0.200 104 E C -0.153 176.509 176.600 0.103 0.000 1.016 104 E CA -0.073 56.341 56.400 0.023 0.000 0.921 104 E CB 0.640 30.358 29.700 0.030 0.000 1.034 104 E HN 0.149 nan 8.360 nan 0.000 0.468 105 V N 1.462 121.434 119.914 0.098 0.000 2.644 105 V HA 0.250 4.372 4.120 0.005 0.000 0.295 105 V C -0.144 176.006 176.094 0.093 0.000 1.053 105 V CA -0.362 62.010 62.300 0.120 0.000 0.987 105 V CB 0.605 32.465 31.823 0.062 0.000 1.006 105 V HN -0.007 nan 8.190 nan 0.000 0.472 106 F N 2.515 122.385 119.950 -0.134 0.000 2.432 106 F HA 0.680 5.210 4.527 0.004 0.000 0.329 106 F C -0.301 175.326 175.800 -0.287 0.000 1.076 106 F CA -0.783 57.198 58.000 -0.033 0.000 1.018 106 F CB 1.317 40.289 39.000 -0.046 0.000 1.201 106 F HN 0.313 nan 8.300 nan 0.000 0.489 107 Y N 2.047 122.383 120.300 0.060 0.000 2.477 107 Y HA 0.540 5.093 4.550 0.004 0.000 0.347 107 Y C -0.879 175.025 175.900 0.006 0.000 0.981 107 Y CA -1.014 57.043 58.100 -0.072 0.000 1.033 107 Y CB 1.835 40.090 38.460 -0.341 0.000 1.245 107 Y HN 0.191 nan 8.280 nan 0.000 0.455 108 L N 3.285 124.582 121.223 0.123 0.000 2.325 108 L HA 0.475 4.818 4.340 0.005 0.000 0.281 108 L C -0.964 175.825 176.870 -0.136 0.000 1.004 108 L CA -0.472 54.344 54.840 -0.039 0.000 0.823 108 L CB 1.825 43.877 42.059 -0.012 0.000 1.236 108 L HN 0.793 nan 8.230 nan 0.000 0.415 109 E N 3.736 123.763 120.200 -0.288 0.000 2.191 109 E HA 0.439 4.791 4.350 0.005 0.000 0.263 109 E C -1.482 174.903 176.600 -0.359 0.000 0.881 109 E CA -0.388 55.895 56.400 -0.194 0.000 0.757 109 E CB 1.993 31.667 29.700 -0.042 0.000 1.147 109 E HN 0.242 nan 8.360 nan 0.000 0.414 110 F N 1.914 121.883 119.950 0.032 0.000 2.427 110 F HA 0.335 4.864 4.527 0.004 0.000 0.346 110 F C 0.341 176.250 175.800 0.181 0.000 1.120 110 F CA -0.613 57.439 58.000 0.088 0.000 1.033 110 F CB 1.551 40.534 39.000 -0.029 0.000 1.126 110 F HN 0.332 nan 8.300 nan 0.000 0.462 111 E N 4.844 125.297 120.200 0.423 0.000 2.260 111 E HA 0.335 4.688 4.350 0.005 0.000 0.266 111 E C -0.738 175.990 176.600 0.214 0.000 0.887 111 E CA -0.895 55.672 56.400 0.278 0.000 0.777 111 E CB 1.250 31.051 29.700 0.168 0.000 1.205 111 E HN 0.539 nan 8.360 nan 0.000 0.414 112 I N 1.959 122.546 120.570 0.028 0.000 2.752 112 I HA 0.100 4.273 4.170 0.005 0.000 0.289 112 I C 0.148 176.175 176.117 -0.150 0.000 1.197 112 I CA 0.365 61.473 61.300 -0.321 0.000 1.432 112 I CB -0.202 37.598 38.000 -0.334 0.000 1.359 112 I HN 0.626 nan 8.210 nan 0.000 0.571 113 R N 4.810 125.202 120.500 -0.180 0.000 2.215 113 R HA 0.287 4.629 4.340 0.005 0.000 0.336 113 R C 0.665 176.926 176.300 -0.064 0.000 0.996 113 R CA -0.255 55.810 56.100 -0.058 0.000 0.847 113 R CB 0.634 30.930 30.300 -0.007 0.000 1.127 113 R HN 0.858 nan 8.270 nan 0.000 0.465 114 T N 1.069 115.598 114.554 -0.042 0.000 3.366 114 T HA 0.451 4.804 4.350 0.005 0.000 0.249 114 T C 0.087 174.774 174.700 -0.023 0.000 1.028 114 T CA 0.125 62.200 62.100 -0.042 0.000 0.938 114 T CB 0.132 68.976 68.868 -0.040 0.000 1.046 114 T HN 0.536 nan 8.240 nan 0.000 0.587 115 A N 0.321 123.134 122.820 -0.012 0.000 2.581 115 A HA 0.560 4.883 4.320 0.005 0.000 0.294 115 A C -2.036 175.554 177.584 0.011 0.000 1.035 115 A CA -0.933 51.103 52.037 -0.001 0.000 0.684 115 A CB 0.918 19.917 19.000 -0.001 0.000 1.282 115 A HN 0.208 nan 8.150 nan 0.000 0.417 116 D N 0.912 121.320 120.400 0.013 0.000 2.408 116 D HA 0.530 5.173 4.640 0.005 0.000 0.261 116 D C -0.678 175.633 176.300 0.018 0.000 1.190 116 D CA 0.411 54.423 54.000 0.021 0.000 0.910 116 D CB 1.177 41.992 40.800 0.025 0.000 1.097 116 D HN 0.573 nan 8.370 nan 0.000 0.522 117 T N 3.508 118.073 114.554 0.018 0.000 2.792 117 T HA 0.416 4.768 4.350 0.005 0.000 0.280 117 T C 0.468 175.183 174.700 0.025 0.000 0.990 117 T CA -0.914 61.196 62.100 0.017 0.000 0.960 117 T CB 0.298 69.172 68.868 0.010 0.000 0.939 117 T HN 0.371 nan 8.240 nan 0.000 0.439 118 L N 3.900 125.138 121.223 0.026 0.000 2.747 118 L HA 0.116 4.459 4.340 0.005 0.000 0.286 118 L C 1.243 178.137 176.870 0.041 0.000 1.216 118 L CA -0.155 54.704 54.840 0.032 0.000 0.930 118 L CB -0.343 41.733 42.059 0.029 0.000 1.216 118 L HN 0.530 nan 8.230 nan 0.000 0.486 119 S N 3.178 118.907 115.700 0.047 0.000 2.436 119 S HA 0.065 4.538 4.470 0.005 0.000 0.228 119 S C 1.629 176.279 174.600 0.083 0.000 1.014 119 S CA 0.788 59.026 58.200 0.064 0.000 0.950 119 S CB -0.254 62.988 63.200 0.069 0.000 0.784 119 S HN 0.727 nan 8.310 nan 0.000 0.504 120 I N 0.913 121.516 120.570 0.055 0.000 2.916 120 I HA -0.096 4.077 4.170 0.005 0.000 0.267 120 I C 2.306 178.497 176.117 0.123 0.000 1.263 120 I CA 0.925 62.260 61.300 0.057 0.000 1.471 120 I CB -0.310 37.703 38.000 0.021 0.000 1.089 120 I HN 0.235 nan 8.210 nan 0.000 0.468 121 T N -1.347 113.264 114.554 0.094 0.000 3.042 121 T HA -0.016 4.337 4.350 0.005 0.000 0.245 121 T C 2.011 176.748 174.700 0.061 0.000 1.029 121 T CA 1.025 63.169 62.100 0.075 0.000 1.120 121 T CB 0.116 69.009 68.868 0.042 0.000 0.917 121 T HN 0.240 nan 8.240 nan 0.000 0.467 122 S N 0.335 116.070 115.700 0.058 0.000 2.402 122 S HA -0.049 4.424 4.470 0.005 0.000 0.229 122 S C 1.718 176.327 174.600 0.014 0.000 1.021 122 S CA 1.144 59.356 58.200 0.019 0.000 0.974 122 S CB -0.568 62.640 63.200 0.012 0.000 0.800 122 S HN 0.573 nan 8.310 nan 0.000 0.484 123 F N 2.641 122.549 119.950 -0.070 0.000 2.075 123 F HA -0.109 4.420 4.527 0.004 0.000 0.297 123 F C 2.629 178.385 175.800 -0.073 0.000 1.113 123 F CA 2.299 60.246 58.000 -0.088 0.000 1.218 123 F CB -1.119 37.843 39.000 -0.064 0.000 0.984 123 F HN 0.373 nan 8.300 nan 0.000 0.472 124 T N -0.580 113.993 114.554 0.032 0.000 2.821 124 T HA -0.220 4.133 4.350 0.005 0.000 0.267 124 T C 2.054 176.670 174.700 -0.141 0.000 1.046 124 T CA 1.500 63.547 62.100 -0.090 0.000 1.139 124 T CB -1.024 67.901 68.868 0.094 0.000 0.871 124 T HN 0.491 nan 8.240 nan 0.000 0.454 125 L N 0.888 122.059 121.223 -0.086 0.000 2.109 125 L HA 0.171 4.514 4.340 0.005 0.000 0.207 125 L C 2.321 179.118 176.870 -0.122 0.000 1.086 125 L CA 1.354 56.145 54.840 -0.082 0.000 0.760 125 L CB -0.485 41.547 42.059 -0.045 0.000 0.910 125 L HN 0.310 nan 8.230 nan 0.000 0.437 126 N N -0.760 117.839 118.700 -0.169 0.000 2.461 126 N HA -0.001 4.742 4.740 0.005 0.000 0.188 126 N C 0.985 176.342 175.510 -0.255 0.000 1.134 126 N CA 0.555 53.483 53.050 -0.204 0.000 0.878 126 N CB 0.261 38.601 38.487 -0.244 0.000 0.972 126 N HN 0.465 nan 8.380 nan 0.000 0.456 127 A N -0.573 122.083 122.820 -0.273 0.000 2.508 127 A HA 0.170 4.493 4.320 0.005 0.000 0.250 127 A C 1.594 179.083 177.584 -0.157 0.000 1.208 127 A CA -0.297 51.587 52.037 -0.256 0.000 0.960 127 A CB 0.372 19.125 19.000 -0.413 0.000 1.099 127 A HN 0.215 nan 8.150 nan 0.000 0.542 128 Q N -0.157 119.564 119.800 -0.131 0.000 2.062 128 Q HA -0.087 4.256 4.340 0.005 0.000 0.196 128 Q C 2.206 178.168 176.000 -0.064 0.000 0.967 128 Q CA 1.513 57.268 55.803 -0.079 0.000 0.832 128 Q CB -0.110 28.589 28.738 -0.065 0.000 0.899 128 Q HN 0.663 nan 8.270 nan 0.000 0.442 129 R N 0.495 120.950 120.500 -0.075 0.000 2.081 129 R HA -0.127 4.216 4.340 0.005 0.000 0.235 129 R C 2.048 178.307 176.300 -0.069 0.000 1.131 129 R CA 1.178 57.240 56.100 -0.064 0.000 0.960 129 R CB -0.133 30.129 30.300 -0.064 0.000 0.856 129 R HN 0.199 nan 8.270 nan 0.000 0.436 130 I N 1.537 122.047 120.570 -0.100 0.000 2.716 130 I HA -0.099 4.074 4.170 0.005 0.000 0.259 130 I C 1.829 177.912 176.117 -0.057 0.000 1.172 130 I CA 0.882 62.078 61.300 -0.174 0.000 1.478 130 I CB -0.175 37.630 38.000 -0.326 0.000 1.104 130 I HN 0.379 nan 8.210 nan 0.000 0.439 131 I N -1.961 118.644 120.570 0.059 0.000 3.793 131 I HA 0.205 4.378 4.170 0.005 0.000 0.315 131 I C 1.855 178.018 176.117 0.076 0.000 1.275 131 I CA 0.411 61.825 61.300 0.191 0.000 1.214 131 I CB -0.248 37.850 38.000 0.164 0.000 1.018 131 I HN -0.036 nan 8.210 nan 0.000 0.439 132 A N 0.763 123.595 122.820 0.020 0.000 2.169 132 A HA 0.049 4.372 4.320 0.005 0.000 0.212 132 A C 2.035 179.596 177.584 -0.038 0.000 1.153 132 A CA 0.481 52.507 52.037 -0.019 0.000 0.756 132 A CB -0.213 18.766 19.000 -0.036 0.000 0.813 132 A HN 0.512 nan 8.150 nan 0.000 0.471 133 Q N -0.505 119.305 119.800 0.018 0.000 2.451 133 Q HA 0.066 4.409 4.340 0.005 0.000 0.206 133 Q C 1.418 177.474 176.000 0.094 0.000 0.947 133 Q CA 0.732 56.563 55.803 0.047 0.000 0.937 133 Q CB 0.001 28.809 28.738 0.116 0.000 1.025 133 Q HN 0.485 nan 8.270 nan 0.000 0.511 134 V N 0.094 120.054 119.914 0.076 0.000 3.650 134 V HA -0.012 4.111 4.120 0.005 0.000 0.271 134 V C 1.738 177.829 176.094 -0.006 0.000 1.281 134 V CA 0.634 62.964 62.300 0.051 0.000 1.120 134 V CB 0.113 31.953 31.823 0.029 0.000 0.856 134 V HN 0.243 nan 8.190 nan 0.000 0.443 135 Q N -0.728 119.047 119.800 -0.041 0.000 2.304 135 Q HA 0.144 4.487 4.340 0.005 0.000 0.204 135 Q C 2.208 178.139 176.000 -0.116 0.000 0.936 135 Q CA 0.610 56.375 55.803 -0.063 0.000 0.878 135 Q CB 0.141 28.846 28.738 -0.054 0.000 0.983 135 Q HN 0.370 nan 8.270 nan 0.000 0.516 136 L N 0.631 121.714 121.223 -0.233 0.000 1.989 136 L HA -0.132 4.211 4.340 0.005 0.000 0.211 136 L C 0.953 177.634 176.870 -0.315 0.000 1.071 136 L CA 1.499 56.116 54.840 -0.371 0.000 0.749 136 L CB -0.913 40.741 42.059 -0.676 0.000 0.890 136 L HN 0.333 nan 8.230 nan 0.000 0.431 137 H N -0.683 118.394 119.070 0.012 0.000 2.482 137 H HA 0.179 4.737 4.556 0.005 0.000 0.344 137 H C 0.552 175.885 175.328 0.007 0.000 1.151 137 H CA -0.263 55.793 56.048 0.013 0.000 1.300 137 H CB 1.007 30.783 29.762 0.023 0.000 1.494 137 H HN 0.127 nan 8.280 nan 0.000 0.542 138 N N 0.346 119.130 118.700 0.139 0.000 2.368 138 N HA -0.048 4.694 4.740 0.005 0.000 0.178 138 N C -0.683 174.861 175.510 0.057 0.000 1.076 138 N CA 0.014 53.105 53.050 0.069 0.000 0.889 138 N CB 0.647 39.161 38.487 0.046 0.000 1.040 138 N HN 0.550 nan 8.380 nan 0.000 0.463 139 D N -0.008 120.431 120.400 0.066 0.000 2.304 139 D HA 0.001 4.644 4.640 0.005 0.000 0.247 139 D C 1.104 177.435 176.300 0.051 0.000 1.089 139 D CA 0.127 54.154 54.000 0.045 0.000 0.910 139 D CB 1.509 42.328 40.800 0.031 0.000 1.199 139 D HN -0.139 nan 8.370 nan 0.000 0.426 140 T N -0.012 114.570 114.554 0.046 0.000 2.977 140 T HA -0.071 4.282 4.350 0.005 0.000 0.271 140 T C 1.177 175.941 174.700 0.107 0.000 1.105 140 T CA 1.469 63.604 62.100 0.059 0.000 1.116 140 T CB 0.012 68.922 68.868 0.071 0.000 0.878 140 T HN 0.428 nan 8.240 nan 0.000 0.509 141 A N -0.950 121.917 122.820 0.079 0.000 2.358 141 A HA 0.482 4.805 4.320 0.005 0.000 0.223 141 A C 2.337 179.935 177.584 0.023 0.000 1.218 141 A CA 0.561 52.641 52.037 0.071 0.000 0.942 141 A CB -0.153 18.876 19.000 0.048 0.000 1.005 141 A HN 0.405 nan 8.150 nan 0.000 0.514 142 S N 0.169 115.868 115.700 -0.002 0.000 2.406 142 S HA -0.085 4.387 4.470 0.005 0.000 0.228 142 S C 1.918 176.398 174.600 -0.201 0.000 1.020 142 S CA 1.642 59.781 58.200 -0.102 0.000 0.965 142 S CB -0.306 62.850 63.200 -0.073 0.000 0.798 142 S HN 0.712 nan 8.310 nan 0.000 0.488 143 L N 0.202 121.428 121.223 0.005 0.000 2.102 143 L HA 0.259 4.602 4.340 0.005 0.000 0.202 143 L C 1.867 178.827 176.870 0.150 0.000 1.076 143 L CA 1.421 56.336 54.840 0.125 0.000 0.761 143 L CB -1.138 41.050 42.059 0.216 0.000 0.921 143 L HN 0.171 nan 8.230 nan 0.000 0.444 144 L N -0.183 121.148 121.223 0.180 0.000 2.081 144 L HA -0.226 4.117 4.340 0.005 0.000 0.212 144 L C 2.634 179.632 176.870 0.214 0.000 1.080 144 L CA 1.832 56.831 54.840 0.265 0.000 0.754 144 L CB -0.380 41.793 42.059 0.190 0.000 0.893 144 L HN 0.615 nan 8.230 nan 0.000 0.433 145 S N -1.450 114.297 115.700 0.079 0.000 2.503 145 S HA -0.051 4.422 4.470 0.005 0.000 0.217 145 S C 1.458 176.055 174.600 -0.005 0.000 0.999 145 S CA 0.707 58.925 58.200 0.030 0.000 0.914 145 S CB -0.009 63.182 63.200 -0.014 0.000 0.782 145 S HN 0.471 nan 8.310 nan 0.000 0.520 146 N N 0.084 118.759 118.700 -0.042 0.000 2.436 146 N HA 0.009 4.752 4.740 0.005 0.000 0.178 146 N C 1.706 177.227 175.510 0.018 0.000 1.026 146 N CA 0.980 53.993 53.050 -0.061 0.000 0.880 146 N CB 0.211 38.531 38.487 -0.279 0.000 1.061 146 N HN 0.279 nan 8.380 nan 0.000 0.434 147 V N -1.177 118.764 119.914 0.046 0.000 2.626 147 V HA -0.104 4.019 4.120 0.005 0.000 0.252 147 V C 1.809 177.799 176.094 -0.173 0.000 1.067 147 V CA 1.838 64.103 62.300 -0.059 0.000 1.081 147 V CB -1.040 30.746 31.823 -0.062 0.000 0.686 147 V HN 0.198 nan 8.190 nan 0.000 0.468 148 T N 0.879 115.407 114.554 -0.044 0.000 2.746 148 T HA -0.177 4.175 4.350 0.005 0.000 0.267 148 T C 1.492 176.160 174.700 -0.054 0.000 1.039 148 T CA 2.362 64.450 62.100 -0.020 0.000 1.142 148 T CB -0.495 68.430 68.868 0.095 0.000 0.866 148 T HN 0.654 nan 8.240 nan 0.000 0.444 149 D N 0.017 120.399 120.400 -0.030 0.000 2.269 149 D HA -0.027 4.615 4.640 0.005 0.000 0.208 149 D C 2.145 178.423 176.300 -0.036 0.000 0.963 149 D CA 0.593 54.580 54.000 -0.023 0.000 0.864 149 D CB 0.010 40.805 40.800 -0.008 0.000 0.936 149 D HN 0.294 nan 8.370 nan 0.000 0.505 150 E N 0.153 120.314 120.200 -0.064 0.000 2.051 150 E HA -0.011 4.342 4.350 0.005 0.000 0.189 150 E C 1.946 178.479 176.600 -0.112 0.000 0.979 150 E CA 0.541 56.894 56.400 -0.078 0.000 0.803 150 E CB -0.209 29.436 29.700 -0.092 0.000 0.761 150 E HN 0.192 nan 8.360 nan 0.000 0.451 151 L N 0.378 121.477 121.223 -0.208 0.000 2.051 151 L HA -0.275 4.067 4.340 0.005 0.000 0.214 151 L C 2.690 179.509 176.870 -0.086 0.000 1.076 151 L CA 1.862 56.549 54.840 -0.254 0.000 0.758 151 L CB -0.543 41.266 42.059 -0.417 0.000 0.890 151 L HN 0.140 nan 8.230 nan 0.000 0.433 152 R N 0.404 120.875 120.500 -0.048 0.000 2.105 152 R HA -0.146 4.197 4.340 0.005 0.000 0.239 152 R C 2.371 178.695 176.300 0.040 0.000 1.135 152 R CA 1.453 57.571 56.100 0.029 0.000 0.967 152 R CB -0.140 30.174 30.300 0.023 0.000 0.861 152 R HN 0.257 nan 8.270 nan 0.000 0.442 153 R N -0.740 119.766 120.500 0.011 0.000 2.093 153 R HA 0.042 4.385 4.340 0.005 0.000 0.224 153 R C 2.314 178.625 176.300 0.019 0.000 1.101 153 R CA 1.652 57.760 56.100 0.013 0.000 0.979 153 R CB -0.170 30.130 30.300 0.000 0.000 0.877 153 R HN 0.297 nan 8.270 nan 0.000 0.441 154 M N -0.144 119.471 119.600 0.025 0.000 2.288 154 M HA -0.078 4.405 4.480 0.005 0.000 0.266 154 M C 2.066 178.416 176.300 0.084 0.000 1.072 154 M CA 1.711 57.041 55.300 0.049 0.000 1.132 154 M CB 0.056 32.705 32.600 0.082 0.000 1.386 154 M HN 0.227 nan 8.290 nan 0.000 0.432 155 T N -4.429 110.197 114.554 0.120 0.000 2.990 155 T HA 0.300 4.653 4.350 0.005 0.000 0.249 155 T C 1.503 176.232 174.700 0.048 0.000 1.039 155 T CA 0.673 62.868 62.100 0.157 0.000 1.036 155 T CB 0.322 69.417 68.868 0.379 0.000 0.994 155 T HN 0.509 nan 8.240 nan 0.000 0.489 156 G N 0.697 109.538 108.800 0.068 0.000 2.155 156 G HA2 -0.295 3.668 3.960 0.005 0.000 0.257 156 G HA3 -0.295 3.668 3.960 0.005 0.000 0.257 156 G C 0.024 174.973 174.900 0.082 0.000 0.983 156 G CA 0.226 45.353 45.100 0.045 0.000 0.676 156 G HN 0.665 nan 8.290 nan 0.000 0.528 157 Y N 0.664 120.987 120.300 0.040 0.000 2.757 157 Y HA 0.093 4.646 4.550 0.005 0.000 0.344 157 Y C 1.961 178.012 175.900 0.251 0.000 1.263 157 Y CA 0.850 59.030 58.100 0.134 0.000 1.493 157 Y CB 0.460 38.961 38.460 0.069 0.000 1.342 157 Y HN 0.138 nan 8.280 nan 0.000 0.627 158 D N 0.768 121.513 120.400 0.574 0.000 2.084 158 D HA -0.134 4.509 4.640 0.005 0.000 0.194 158 D C 0.620 177.037 176.300 0.194 0.000 0.990 158 D CA 1.488 55.621 54.000 0.221 0.000 0.826 158 D CB 0.093 40.904 40.800 0.017 0.000 0.971 158 D HN 0.447 nan 8.370 nan 0.000 0.453 159 R N 0.020 120.665 120.500 0.241 0.000 2.628 159 R HA 0.466 4.809 4.340 0.005 0.000 0.288 159 R C -1.688 174.639 176.300 0.045 0.000 0.980 159 R CA -0.617 55.555 56.100 0.120 0.000 0.891 159 R CB 2.216 32.569 30.300 0.088 0.000 1.188 159 R HN -0.078 nan 8.270 nan 0.000 0.450 160 V N 5.596 125.495 119.914 -0.025 0.000 2.525 160 V HA 0.495 4.618 4.120 0.005 0.000 0.299 160 V C -0.849 175.175 176.094 -0.117 0.000 1.034 160 V CA -0.655 61.574 62.300 -0.118 0.000 0.863 160 V CB 1.752 33.504 31.823 -0.118 0.000 0.999 160 V HN 0.919 nan 8.190 nan 0.000 0.423 161 M N 4.972 124.447 119.600 -0.209 0.000 2.792 161 M HA 0.917 5.400 4.480 0.005 0.000 0.294 161 M C -0.165 175.970 176.300 -0.275 0.000 1.215 161 M CA -0.662 54.510 55.300 -0.215 0.000 0.883 161 M CB 2.182 34.635 32.600 -0.246 0.000 1.620 161 M HN 0.820 nan 8.290 nan 0.000 0.511 162 A N 1.013 123.649 122.820 -0.307 0.000 2.414 162 A HA 0.664 4.987 4.320 0.005 0.000 0.286 162 A C -1.921 175.440 177.584 -0.372 0.000 1.073 162 A CA -0.556 51.234 52.037 -0.412 0.000 0.727 162 A CB 0.528 19.426 19.000 -0.170 0.000 1.215 162 A HN 0.774 nan 8.150 nan 0.000 0.430 163 Y N 1.527 121.630 120.300 -0.329 0.000 2.342 163 Y HA 0.606 5.158 4.550 0.005 0.000 0.334 163 Y C 0.928 176.517 175.900 -0.518 0.000 1.067 163 Y CA -0.844 57.003 58.100 -0.422 0.000 1.128 163 Y CB 1.446 39.641 38.460 -0.442 0.000 1.200 163 Y HN 0.595 nan 8.280 nan 0.000 0.464 164 R N 2.148 122.364 120.500 -0.473 0.000 2.540 164 R HA 0.458 4.801 4.340 0.005 0.000 0.287 164 R C -1.649 174.210 176.300 -0.734 0.000 0.980 164 R CA -0.841 54.856 56.100 -0.672 0.000 0.966 164 R CB 1.261 31.169 30.300 -0.654 0.000 1.106 164 R HN 0.545 nan 8.270 nan 0.000 0.480 165 F N 1.847 121.439 119.950 -0.597 0.000 2.444 165 F HA 0.413 4.943 4.527 0.004 0.000 0.342 165 F C 0.829 176.417 175.800 -0.353 0.000 1.121 165 F CA -0.732 57.025 58.000 -0.405 0.000 0.997 165 F CB 1.177 40.006 39.000 -0.285 0.000 1.130 165 F HN 0.142 nan 8.300 nan 0.000 0.454 166 R N 0.597 121.027 120.500 -0.117 0.000 2.541 166 R HA 0.126 4.468 4.340 0.005 0.000 0.263 166 R C 1.050 177.373 176.300 0.037 0.000 1.112 166 R CA -0.627 55.430 56.100 -0.071 0.000 1.170 166 R CB 0.156 30.401 30.300 -0.092 0.000 1.167 166 R HN 0.709 nan 8.270 nan 0.000 0.582 167 H N 1.190 120.235 119.070 -0.042 0.000 2.457 167 H HA -0.123 4.436 4.556 0.005 0.000 0.297 167 H C 0.750 176.071 175.328 -0.012 0.000 1.092 167 H CA 2.208 58.245 56.048 -0.019 0.000 1.309 167 H CB 0.065 29.815 29.762 -0.021 0.000 1.382 167 H HN 0.545 nan 8.280 nan 0.000 0.535 168 D N -1.191 119.179 120.400 -0.049 0.000 2.328 168 D HA -0.035 4.607 4.640 0.005 0.000 0.226 168 D C 0.050 176.323 176.300 -0.046 0.000 1.066 168 D CA 0.506 54.449 54.000 -0.094 0.000 0.861 168 D CB -0.200 40.567 40.800 -0.054 0.000 0.912 168 D HN 0.278 nan 8.370 nan 0.000 0.521 169 D N -0.087 120.307 120.400 -0.008 0.000 3.076 169 D HA -0.168 4.475 4.640 0.005 0.000 0.218 169 D C -0.224 176.168 176.300 0.153 0.000 1.156 169 D CA 1.109 55.159 54.000 0.082 0.000 0.921 169 D CB -1.703 39.101 40.800 0.006 0.000 1.113 169 D HN 0.533 nan 8.370 nan 0.000 0.418 170 S N -0.790 114.922 115.700 0.021 0.000 2.614 170 S HA 0.624 5.097 4.470 0.005 0.000 0.265 170 S C 0.680 175.002 174.600 -0.462 0.000 1.303 170 S CA 0.155 58.270 58.200 -0.141 0.000 1.000 170 S CB 2.454 65.585 63.200 -0.114 0.000 0.935 170 S HN 0.314 nan 8.310 nan 0.000 0.551 171 G N -0.589 107.587 108.800 -1.039 0.000 2.537 171 G HA2 0.592 4.555 3.960 0.005 0.000 0.308 171 G HA3 0.592 4.555 3.960 0.005 0.000 0.308 171 G C -1.526 172.587 174.900 -1.311 0.000 1.237 171 G CA -0.758 43.411 45.100 -1.552 0.000 0.968 171 G HN 0.835 nan 8.290 nan 0.000 0.481 172 E N -0.227 119.410 120.200 -0.940 0.000 2.340 172 E HA 0.437 4.790 4.350 0.005 0.000 0.273 172 E C -1.139 175.248 176.600 -0.355 0.000 0.891 172 E CA -0.723 55.318 56.400 -0.598 0.000 0.757 172 E CB 2.675 32.118 29.700 -0.429 0.000 1.231 172 E HN 0.188 nan 8.360 nan 0.000 0.439 173 V N 5.029 124.842 119.914 -0.168 0.000 2.222 173 V HA 0.030 4.153 4.120 0.005 0.000 0.253 173 V C 1.237 177.317 176.094 -0.025 0.000 1.210 173 V CA -0.035 62.273 62.300 0.013 0.000 1.079 173 V CB 0.107 31.992 31.823 0.103 0.000 1.265 173 V HN 0.625 nan 8.190 nan 0.000 0.494 174 V N 1.197 121.066 119.914 -0.076 0.000 3.217 174 V HA 0.525 4.648 4.120 0.005 0.000 0.264 174 V C 0.816 176.892 176.094 -0.031 0.000 1.135 174 V CA 1.071 63.328 62.300 -0.073 0.000 1.142 174 V CB -0.466 31.289 31.823 -0.114 0.000 0.754 174 V HN 0.744 nan 8.190 nan 0.000 0.484 175 A N -0.696 122.113 122.820 -0.018 0.000 2.602 175 A HA 0.830 5.153 4.320 0.005 0.000 0.290 175 A C -0.853 176.738 177.584 0.011 0.000 1.114 175 A CA -0.486 51.554 52.037 0.006 0.000 0.683 175 A CB 1.997 21.008 19.000 0.019 0.000 1.281 175 A HN 0.353 nan 8.150 nan 0.000 0.416 176 E N -0.416 119.795 120.200 0.019 0.000 2.431 176 E HA 0.510 4.863 4.350 0.005 0.000 0.287 176 E C -1.574 175.035 176.600 0.015 0.000 1.032 176 E CA -0.102 56.307 56.400 0.015 0.000 0.839 176 E CB 1.816 31.539 29.700 0.037 0.000 1.218 176 E HN 1.160 nan 8.360 nan 0.000 0.424 177 S N 3.237 118.941 115.700 0.007 0.000 2.557 177 S HA 0.816 5.289 4.470 0.005 0.000 0.291 177 S C -0.663 173.949 174.600 0.020 0.000 1.116 177 S CA -0.946 57.261 58.200 0.013 0.000 0.992 177 S CB 1.541 64.748 63.200 0.010 0.000 1.028 177 S HN 0.630 nan 8.310 nan 0.000 0.484 178 R N 1.197 121.710 120.500 0.021 0.000 2.808 178 R HA 0.630 4.973 4.340 0.005 0.000 0.272 178 R C -0.682 175.631 176.300 0.022 0.000 0.995 178 R CA -1.153 54.964 56.100 0.028 0.000 0.917 178 R CB 1.303 31.611 30.300 0.014 0.000 1.217 178 R HN 0.669 nan 8.270 nan 0.000 0.471 179 R N 0.850 121.367 120.500 0.027 0.000 2.679 179 R HA -0.026 4.317 4.340 0.005 0.000 0.268 179 R C 0.379 176.677 176.300 -0.005 0.000 1.044 179 R CA 0.313 56.421 56.100 0.013 0.000 1.105 179 R CB 0.589 30.893 30.300 0.006 0.000 0.989 179 R HN 0.790 nan 8.270 nan 0.000 0.447 180 E N 1.384 121.580 120.200 -0.006 0.000 2.463 180 E HA -0.177 4.176 4.350 0.005 0.000 0.201 180 E C 0.211 176.796 176.600 -0.024 0.000 1.045 180 E CA 0.630 57.022 56.400 -0.014 0.000 0.872 180 E CB 0.229 29.924 29.700 -0.007 0.000 0.797 180 E HN 0.561 nan 8.360 nan 0.000 0.538 181 D N 0.220 120.604 120.400 -0.026 0.000 2.202 181 D HA 0.013 4.655 4.640 0.005 0.000 0.214 181 D C 0.870 177.140 176.300 -0.049 0.000 0.967 181 D CA 0.315 54.295 54.000 -0.033 0.000 0.871 181 D CB 0.127 40.910 40.800 -0.028 0.000 1.020 181 D HN 0.105 nan 8.370 nan 0.000 0.474 182 L N 2.632 123.829 121.223 -0.045 0.000 2.485 182 L HA 0.112 4.454 4.340 0.005 0.000 0.275 182 L C 0.972 177.762 176.870 -0.132 0.000 1.207 182 L CA -0.486 54.320 54.840 -0.056 0.000 0.855 182 L CB -0.109 41.949 42.059 -0.002 0.000 1.114 182 L HN 0.060 nan 8.230 nan 0.000 0.485 183 E N 1.463 121.543 120.200 -0.200 0.000 2.438 183 E HA 0.118 4.471 4.350 0.005 0.000 0.261 183 E C -0.358 175.922 176.600 -0.533 0.000 1.103 183 E CA -0.532 55.642 56.400 -0.376 0.000 0.959 183 E CB 0.716 30.161 29.700 -0.425 0.000 0.958 183 E HN 0.516 nan 8.360 nan 0.000 0.447 184 S N 0.545 115.790 115.700 -0.758 0.000 2.608 184 S HA 0.315 4.787 4.470 0.005 0.000 0.291 184 S C -0.825 173.204 174.600 -0.952 0.000 1.146 184 S CA -0.663 57.091 58.200 -0.743 0.000 1.043 184 S CB 0.401 63.146 63.200 -0.758 0.000 1.037 184 S HN 0.557 nan 8.310 nan 0.000 0.520 185 Y N 1.891 122.014 120.300 -0.296 0.000 2.641 185 Y HA 0.397 4.950 4.550 0.005 0.000 0.248 185 Y C 0.462 176.352 175.900 -0.016 0.000 1.170 185 Y CA -0.451 57.549 58.100 -0.166 0.000 1.201 185 Y CB 0.272 38.697 38.460 -0.057 0.000 1.232 185 Y HN 0.455 nan 8.280 nan 0.000 0.537 186 L N 0.415 121.729 121.223 0.152 0.000 2.559 186 L HA 0.157 4.500 4.340 0.005 0.000 0.282 186 L C 1.425 178.487 176.870 0.320 0.000 1.232 186 L CA 1.400 56.393 54.840 0.255 0.000 0.885 186 L CB 0.457 42.703 42.059 0.311 0.000 1.131 186 L HN 0.639 nan 8.230 nan 0.000 0.498 187 G N 2.339 111.227 108.800 0.147 0.000 2.189 187 G HA2 -0.374 3.588 3.960 0.005 0.000 0.267 187 G HA3 -0.374 3.588 3.960 0.005 0.000 0.267 187 G C 0.265 175.243 174.900 0.130 0.000 0.975 187 G CA 0.606 45.752 45.100 0.076 0.000 0.644 187 G HN 0.771 nan 8.290 nan 0.000 0.537 188 Q N 0.648 120.527 119.800 0.131 0.000 2.428 188 Q HA 0.485 4.828 4.340 0.005 0.000 0.276 188 Q C 0.368 176.296 176.000 -0.119 0.000 1.059 188 Q CA 0.429 56.275 55.803 0.071 0.000 0.923 188 Q CB 0.427 29.256 28.738 0.152 0.000 1.283 188 Q HN 0.383 nan 8.270 nan 0.000 0.447 189 R N 3.154 123.550 120.500 -0.173 0.000 2.532 189 R HA 0.357 4.700 4.340 0.005 0.000 0.297 189 R C -1.314 174.806 176.300 -0.300 0.000 0.984 189 R CA -0.611 55.158 56.100 -0.551 0.000 0.884 189 R CB 1.163 30.767 30.300 -1.159 0.000 1.182 189 R HN 0.836 nan 8.270 nan 0.000 0.442 190 Y N -0.159 119.911 120.300 -0.383 0.000 2.536 190 Y HA 0.747 5.300 4.550 0.005 0.000 0.347 190 Y C -2.756 173.043 175.900 -0.168 0.000 1.000 190 Y CA -3.171 54.813 58.100 -0.192 0.000 1.051 190 Y CB 1.275 39.621 38.460 -0.189 0.000 1.259 190 Y HN 0.327 nan 8.280 nan 0.000 0.468 191 P HA 0.224 nan 4.420 nan 0.000 0.279 191 P C 0.148 177.551 177.300 0.172 0.000 1.282 191 P CA -0.139 63.074 63.100 0.187 0.000 0.788 191 P CB 0.800 32.608 31.700 0.180 0.000 1.139 192 A N -0.311 122.581 122.820 0.119 0.000 2.239 192 A HA -0.069 4.254 4.320 0.005 0.000 0.209 192 A C 2.221 179.849 177.584 0.073 0.000 1.171 192 A CA 1.396 53.494 52.037 0.101 0.000 0.768 192 A CB -1.493 17.535 19.000 0.046 0.000 0.790 192 A HN 0.468 nan 8.150 nan 0.000 0.478 193 S N -0.464 115.284 115.700 0.080 0.000 2.436 193 S HA -0.097 4.376 4.470 0.005 0.000 0.228 193 S C 1.350 175.971 174.600 0.035 0.000 1.014 193 S CA 1.289 59.521 58.200 0.054 0.000 0.950 193 S CB -0.254 62.984 63.200 0.064 0.000 0.784 193 S HN 0.570 nan 8.310 nan 0.000 0.504 194 D N 0.572 120.992 120.400 0.033 0.000 2.289 194 D HA 0.227 4.870 4.640 0.005 0.000 0.207 194 D C 0.050 176.254 176.300 -0.160 0.000 0.966 194 D CA 0.581 54.532 54.000 -0.082 0.000 0.868 194 D CB 0.224 40.912 40.800 -0.187 0.000 0.943 194 D HN 0.400 nan 8.370 nan 0.000 0.514 195 I N 1.960 122.486 120.570 -0.074 0.000 2.410 195 I HA 0.282 4.455 4.170 0.005 0.000 0.286 195 I C -2.373 173.723 176.117 -0.035 0.000 1.009 195 I CA -2.025 59.227 61.300 -0.079 0.000 1.111 195 I CB 2.520 40.475 38.000 -0.074 0.000 1.262 195 I HN -0.248 nan 8.210 nan 0.000 0.443 196 P HA 0.316 nan 4.420 nan 0.000 0.283 196 P C 0.379 177.655 177.300 -0.039 0.000 1.271 196 P CA -0.454 62.630 63.100 -0.027 0.000 0.841 196 P CB 1.747 33.436 31.700 -0.018 0.000 1.122 197 A N 1.262 124.056 122.820 -0.043 0.000 1.892 197 A HA -0.251 4.072 4.320 0.005 0.000 0.218 197 A C 2.111 179.646 177.584 -0.081 0.000 1.188 197 A CA 2.229 54.231 52.037 -0.059 0.000 0.631 197 A CB -1.553 17.416 19.000 -0.053 0.000 0.822 197 A HN 0.589 nan 8.150 nan 0.000 0.447 198 Q N -0.974 118.769 119.800 -0.095 0.000 2.482 198 Q HA 0.329 4.672 4.340 0.005 0.000 0.209 198 Q C 1.282 177.199 176.000 -0.139 0.000 0.961 198 Q CA 1.043 56.755 55.803 -0.153 0.000 0.945 198 Q CB -0.275 28.344 28.738 -0.198 0.000 1.012 198 Q HN 0.588 nan 8.270 nan 0.000 0.515 199 A N -0.978 121.790 122.820 -0.087 0.000 2.192 199 A HA 0.173 4.496 4.320 0.005 0.000 0.208 199 A C 1.842 179.440 177.584 0.024 0.000 1.220 199 A CA 0.155 52.142 52.037 -0.084 0.000 0.900 199 A CB -0.058 18.918 19.000 -0.040 0.000 0.937 199 A HN 0.276 nan 8.150 nan 0.000 0.487 200 R N -0.012 120.502 120.500 0.025 0.000 2.090 200 R HA 0.002 4.345 4.340 0.005 0.000 0.228 200 R C 2.268 178.554 176.300 -0.022 0.000 1.110 200 R CA 1.238 57.354 56.100 0.026 0.000 0.973 200 R CB -0.219 30.027 30.300 -0.090 0.000 0.869 200 R HN 0.456 nan 8.270 nan 0.000 0.440 201 R N 0.402 120.852 120.500 -0.084 0.000 2.083 201 R HA -0.080 4.263 4.340 0.005 0.000 0.237 201 R C 1.896 178.094 176.300 -0.171 0.000 1.137 201 R CA 1.467 57.496 56.100 -0.119 0.000 0.951 201 R CB -0.212 30.003 30.300 -0.140 0.000 0.851 201 R HN 0.260 nan 8.270 nan 0.000 0.434 202 L N -0.349 120.733 121.223 -0.235 0.000 2.650 202 L HA -0.050 4.293 4.340 0.005 0.000 0.235 202 L C 1.026 177.660 176.870 -0.392 0.000 1.149 202 L CA 0.472 55.093 54.840 -0.364 0.000 0.887 202 L CB -0.133 41.684 42.059 -0.403 0.000 1.021 202 L HN 0.256 nan 8.230 nan 0.000 0.441 203 Y N -0.823 119.370 120.300 -0.179 0.000 2.524 203 Y HA 0.128 4.680 4.550 0.005 0.000 0.270 203 Y C 2.251 178.074 175.900 -0.129 0.000 1.094 203 Y CA 0.016 58.030 58.100 -0.144 0.000 1.276 203 Y CB 0.439 38.811 38.460 -0.147 0.000 1.130 203 Y HN 0.044 nan 8.280 nan 0.000 0.536 204 I N -0.147 120.423 120.570 -0.001 0.000 2.193 204 I HA -0.276 3.897 4.170 0.005 0.000 0.240 204 I C 1.773 177.857 176.117 -0.055 0.000 1.084 204 I CA 1.522 62.804 61.300 -0.029 0.000 1.365 204 I CB -0.435 37.537 38.000 -0.046 0.000 1.064 204 I HN 0.223 nan 8.210 nan 0.000 0.410 205 Q N 0.468 120.190 119.800 -0.130 0.000 2.230 205 Q HA -0.023 4.320 4.340 0.005 0.000 0.202 205 Q C 0.056 175.934 176.000 -0.202 0.000 0.963 205 Q CA 0.695 56.394 55.803 -0.172 0.000 0.866 205 Q CB -0.039 28.484 28.738 -0.358 0.000 0.931 205 Q HN 0.374 nan 8.270 nan 0.000 0.452 206 N N 0.904 119.463 118.700 -0.234 0.000 2.546 206 N HA 0.143 4.885 4.740 0.005 0.000 0.238 206 N C -2.152 173.322 175.510 -0.060 0.000 0.984 206 N CA -1.822 51.115 53.050 -0.188 0.000 0.935 206 N CB 1.356 39.670 38.487 -0.289 0.000 1.122 206 N HN -0.115 nan 8.380 nan 0.000 0.510 207 P HA -0.118 nan 4.420 nan 0.000 0.216 207 P C 0.224 177.576 177.300 0.086 0.000 1.150 207 P CA 1.190 64.323 63.100 0.055 0.000 0.843 207 P CB 0.244 31.979 31.700 0.060 0.000 0.787 208 I N -3.482 117.119 120.570 0.053 0.000 2.689 208 I HA 0.714 4.887 4.170 0.005 0.000 0.299 208 I C -0.858 175.270 176.117 0.018 0.000 1.059 208 I CA -1.724 59.619 61.300 0.072 0.000 1.055 208 I CB 2.453 40.511 38.000 0.096 0.000 1.243 208 I HN -0.328 nan 8.210 nan 0.000 0.425 209 R N 5.184 125.707 120.500 0.038 0.000 2.502 209 R HA 0.653 4.996 4.340 0.005 0.000 0.298 209 R C -2.254 174.068 176.300 0.037 0.000 1.018 209 R CA -0.471 55.623 56.100 -0.011 0.000 0.899 209 R CB 1.092 31.334 30.300 -0.097 0.000 1.181 209 R HN 0.904 nan 8.270 nan 0.000 0.444 210 L N 5.758 127.002 121.223 0.036 0.000 2.325 210 L HA 0.645 4.988 4.340 0.005 0.000 0.278 210 L C -0.804 176.068 176.870 0.003 0.000 1.023 210 L CA -1.008 53.857 54.840 0.042 0.000 0.811 210 L CB 1.357 43.452 42.059 0.061 0.000 1.249 210 L HN 0.732 nan 8.230 nan 0.000 0.431 211 I N 3.925 124.479 120.570 -0.027 0.000 2.540 211 I HA 0.228 4.401 4.170 0.005 0.000 0.280 211 I C 0.519 176.563 176.117 -0.123 0.000 1.083 211 I CA -0.224 61.017 61.300 -0.098 0.000 1.080 211 I CB 1.853 39.799 38.000 -0.089 0.000 1.205 211 I HN 0.674 nan 8.210 nan 0.000 0.459 212 A N 3.408 126.083 122.820 -0.240 0.000 2.208 212 A HA 0.150 4.473 4.320 0.005 0.000 0.209 212 A C 0.341 177.858 177.584 -0.113 0.000 1.161 212 A CA 0.919 52.816 52.037 -0.233 0.000 0.782 212 A CB -0.082 18.628 19.000 -0.484 0.000 0.816 212 A HN 0.684 nan 8.150 nan 0.000 0.477 213 D N -3.020 117.320 120.400 -0.101 0.000 2.745 213 D HA 0.273 4.915 4.640 0.005 0.000 0.221 213 D C 0.198 176.466 176.300 -0.054 0.000 1.237 213 D CA -0.287 53.703 54.000 -0.018 0.000 0.781 213 D CB 1.415 42.258 40.800 0.072 0.000 1.575 213 D HN -0.194 nan 8.370 nan 0.000 0.482 214 V N 1.589 121.513 119.914 0.017 0.000 3.085 214 V HA 0.218 4.340 4.120 0.005 0.000 0.245 214 V C 1.925 178.164 176.094 0.241 0.000 1.114 214 V CA 1.200 63.527 62.300 0.046 0.000 1.108 214 V CB 0.186 31.989 31.823 -0.033 0.000 0.798 214 V HN 0.673 nan 8.190 nan 0.000 0.471 215 A N 0.381 123.303 122.820 0.170 0.000 2.310 215 A HA 0.169 4.491 4.320 0.005 0.000 0.230 215 A C 0.770 178.461 177.584 0.178 0.000 1.294 215 A CA -0.193 51.929 52.037 0.142 0.000 0.898 215 A CB -1.018 18.027 19.000 0.075 0.000 0.917 215 A HN 0.644 nan 8.150 nan 0.000 0.491 216 Y N -0.975 119.337 120.300 0.021 0.000 2.330 216 Y HA 0.514 5.066 4.550 0.004 0.000 0.341 216 Y C 0.296 176.215 175.900 0.033 0.000 1.278 216 Y CA -0.455 57.666 58.100 0.035 0.000 1.453 216 Y CB -0.012 38.480 38.460 0.052 0.000 1.342 216 Y HN 0.012 nan 8.280 nan 0.000 0.590 217 T N 4.045 118.380 114.554 -0.365 0.000 2.815 217 T HA 0.479 4.832 4.350 0.005 0.000 0.289 217 T C -2.895 171.558 174.700 -0.412 0.000 1.000 217 T CA -2.241 59.600 62.100 -0.432 0.000 0.958 217 T CB 0.132 68.902 68.868 -0.164 0.000 0.944 217 T HN 0.593 nan 8.240 nan 0.000 0.442 218 P HA 0.106 nan 4.420 nan 0.000 0.261 218 P C -0.744 176.511 177.300 -0.076 0.000 1.165 218 P CA 0.016 62.979 63.100 -0.228 0.000 0.759 218 P CB 0.196 31.801 31.700 -0.158 0.000 0.772 219 M N 4.220 123.819 119.600 -0.002 0.000 2.060 219 M HA 0.226 4.709 4.480 0.005 0.000 0.342 219 M C 0.213 176.488 176.300 -0.041 0.000 1.031 219 M CA -0.140 55.164 55.300 0.006 0.000 0.981 219 M CB 0.236 32.858 32.600 0.037 0.000 1.376 219 M HN 0.157 nan 8.290 nan 0.000 0.397 220 R N 1.042 121.482 120.500 -0.099 0.000 2.774 220 R HA 0.494 4.836 4.340 0.005 0.000 0.269 220 R C -0.415 175.594 176.300 -0.484 0.000 1.068 220 R CA -0.310 55.603 56.100 -0.312 0.000 1.180 220 R CB 0.498 30.518 30.300 -0.467 0.000 1.077 220 R HN 0.561 nan 8.270 nan 0.000 0.513 221 V N -0.187 119.373 119.914 -0.591 0.000 2.495 221 V HA 0.612 4.734 4.120 0.005 0.000 0.298 221 V C -1.040 174.673 176.094 -0.634 0.000 1.031 221 V CA -0.825 61.187 62.300 -0.480 0.000 0.871 221 V CB 1.152 32.829 31.823 -0.243 0.000 0.988 221 V HN 0.483 nan 8.190 nan 0.000 0.432 222 F N 4.532 124.487 119.950 0.009 0.000 2.520 222 F HA 0.806 5.335 4.527 0.004 0.000 0.322 222 F C -2.321 173.501 175.800 0.036 0.000 1.103 222 F CA -2.655 55.367 58.000 0.037 0.000 0.926 222 F CB 1.947 40.963 39.000 0.027 0.000 1.154 222 F HN 0.356 nan 8.300 nan 0.000 0.453 223 P HA 0.207 nan 4.420 nan 0.000 0.274 223 P C 0.025 177.484 177.300 0.264 0.000 1.237 223 P CA -0.189 63.082 63.100 0.285 0.000 0.793 223 P CB 1.049 32.882 31.700 0.222 0.000 0.977 224 A N 2.370 125.316 122.820 0.210 0.000 2.066 224 A HA 0.025 4.347 4.320 0.005 0.000 0.218 224 A C 0.672 178.366 177.584 0.183 0.000 1.157 224 A CA 1.204 53.335 52.037 0.158 0.000 0.670 224 A CB -0.501 18.556 19.000 0.095 0.000 0.804 224 A HN 0.412 nan 8.150 nan 0.000 0.453 225 L N 1.026 122.330 121.223 0.136 0.000 2.280 225 L HA 0.249 4.592 4.340 0.005 0.000 0.287 225 L C -0.337 176.506 176.870 -0.046 0.000 1.023 225 L CA -0.538 54.307 54.840 0.008 0.000 0.819 225 L CB 0.727 42.788 42.059 0.003 0.000 1.212 225 L HN 0.318 nan 8.230 nan 0.000 0.420 226 N N 6.270 124.720 118.700 -0.417 0.000 2.417 226 N HA 0.024 4.767 4.740 0.005 0.000 0.272 226 N C -1.747 173.658 175.510 -0.175 0.000 1.304 226 N CA -0.968 51.784 53.050 -0.496 0.000 0.906 226 N CB 1.025 38.877 38.487 -1.059 0.000 1.135 226 N HN 0.287 nan 8.380 nan 0.000 0.483 227 P HA -0.122 nan 4.420 nan 0.000 0.219 227 P C 0.721 178.003 177.300 -0.030 0.000 1.146 227 P CA 1.064 64.157 63.100 -0.011 0.000 0.808 227 P CB 0.329 32.047 31.700 0.029 0.000 0.779 228 E N -1.387 118.786 120.200 -0.044 0.000 2.106 228 E HA -0.112 4.241 4.350 0.005 0.000 0.192 228 E C 1.870 178.438 176.600 -0.054 0.000 0.984 228 E CA 1.515 57.891 56.400 -0.040 0.000 0.806 228 E CB -0.794 28.884 29.700 -0.037 0.000 0.750 228 E HN 0.245 nan 8.360 nan 0.000 0.458 229 T N -1.529 112.972 114.554 -0.088 0.000 2.964 229 T HA 0.043 4.395 4.350 0.005 0.000 0.249 229 T C 0.629 175.281 174.700 -0.080 0.000 1.000 229 T CA 0.646 62.695 62.100 -0.085 0.000 0.992 229 T CB -0.038 68.763 68.868 -0.111 0.000 1.087 229 T HN 0.290 nan 8.240 nan 0.000 0.489 230 N N 0.448 119.090 118.700 -0.097 0.000 2.869 230 N HA -0.127 4.615 4.740 0.005 0.000 0.249 230 N C -1.119 174.340 175.510 -0.084 0.000 1.104 230 N CA 0.505 53.511 53.050 -0.073 0.000 0.760 230 N CB -0.484 37.978 38.487 -0.041 0.000 1.108 230 N HN 0.565 nan 8.380 nan 0.000 0.555 231 E N -0.023 120.095 120.200 -0.137 0.000 2.292 231 E HA 0.321 4.674 4.350 0.005 0.000 0.272 231 E C -0.800 175.678 176.600 -0.204 0.000 0.881 231 E CA -0.707 55.616 56.400 -0.128 0.000 0.754 231 E CB 1.627 31.270 29.700 -0.094 0.000 1.201 231 E HN 0.128 nan 8.360 nan 0.000 0.425 232 S N 1.621 117.241 115.700 -0.134 0.000 2.554 232 S HA -0.041 4.432 4.470 0.005 0.000 0.290 232 S C -0.153 174.381 174.600 -0.110 0.000 1.309 232 S CA 0.175 58.313 58.200 -0.103 0.000 1.047 232 S CB 0.010 63.192 63.200 -0.030 0.000 0.828 232 S HN 0.255 nan 8.310 nan 0.000 0.509 233 F N 2.122 122.099 119.950 0.045 0.000 2.519 233 F HA 0.020 4.551 4.527 0.005 0.000 0.375 233 F C 1.242 177.129 175.800 0.146 0.000 1.084 233 F CA -0.129 57.950 58.000 0.130 0.000 1.147 233 F CB 0.133 39.245 39.000 0.187 0.000 1.088 233 F HN 0.427 nan 8.300 nan 0.000 0.555 234 D N 5.286 125.877 120.400 0.319 0.000 2.346 234 D HA 0.035 4.678 4.640 0.005 0.000 0.267 234 D C 0.579 177.109 176.300 0.383 0.000 1.320 234 D CA 0.375 54.572 54.000 0.327 0.000 0.951 234 D CB 0.500 41.516 40.800 0.361 0.000 1.079 234 D HN 0.539 nan 8.370 nan 0.000 0.509 235 L N 2.635 123.992 121.223 0.222 0.000 2.685 235 L HA 0.036 4.379 4.340 0.005 0.000 0.233 235 L C 2.191 179.064 176.870 0.005 0.000 1.173 235 L CA -0.225 54.663 54.840 0.080 0.000 0.961 235 L CB 0.023 42.127 42.059 0.075 0.000 1.217 235 L HN 0.198 nan 8.230 nan 0.000 0.478 236 S N -0.115 115.618 115.700 0.055 0.000 2.372 236 S HA -0.223 4.250 4.470 0.005 0.000 0.227 236 S C 1.321 175.621 174.600 -0.502 0.000 1.044 236 S CA 1.833 59.897 58.200 -0.227 0.000 1.050 236 S CB -0.262 62.707 63.200 -0.386 0.000 0.901 236 S HN 0.507 nan 8.310 nan 0.000 0.447 237 Y N 1.054 121.071 120.300 -0.472 0.000 2.493 237 Y HA 0.372 4.925 4.550 0.004 0.000 0.275 237 Y C 1.238 176.695 175.900 -0.739 0.000 1.183 237 Y CA -0.458 57.273 58.100 -0.615 0.000 1.258 237 Y CB 0.045 38.075 38.460 -0.718 0.000 1.108 237 Y HN 0.112 nan 8.280 nan 0.000 0.521 238 S N -0.513 115.009 115.700 -0.296 0.000 2.596 238 S HA 0.119 4.592 4.470 0.005 0.000 0.260 238 S C 1.072 175.599 174.600 -0.121 0.000 1.336 238 S CA -0.228 57.894 58.200 -0.131 0.000 0.993 238 S CB 1.014 64.193 63.200 -0.035 0.000 0.923 238 S HN 0.094 nan 8.310 nan 0.000 0.567 239 V N 2.595 122.492 119.914 -0.028 0.000 3.572 239 V HA 0.214 4.336 4.120 0.005 0.000 0.260 239 V C 1.115 177.237 176.094 0.047 0.000 1.324 239 V CA 0.342 62.649 62.300 0.012 0.000 1.068 239 V CB -0.131 31.730 31.823 0.063 0.000 0.837 239 V HN 0.782 nan 8.190 nan 0.000 0.450 240 L N -0.141 121.099 121.223 0.028 0.000 2.693 240 L HA 0.335 4.677 4.340 0.005 0.000 0.235 240 L C 1.219 178.111 176.870 0.038 0.000 1.127 240 L CA -0.031 54.820 54.840 0.018 0.000 0.914 240 L CB 0.020 42.048 42.059 -0.052 0.000 1.193 240 L HN 0.145 nan 8.230 nan 0.000 0.502 241 R N 1.899 122.413 120.500 0.024 0.000 2.678 241 R HA -0.001 4.342 4.340 0.005 0.000 0.264 241 R C 0.530 176.857 176.300 0.045 0.000 0.995 241 R CA 0.301 56.418 56.100 0.028 0.000 1.098 241 R CB 0.593 30.889 30.300 -0.006 0.000 0.949 241 R HN 0.282 nan 8.270 nan 0.000 0.422 242 S N 2.050 117.801 115.700 0.084 0.000 2.593 242 S HA 0.226 4.699 4.470 0.005 0.000 0.269 242 S C 0.059 174.719 174.600 0.100 0.000 1.334 242 S CA -1.051 57.238 58.200 0.149 0.000 1.015 242 S CB 1.467 64.791 63.200 0.207 0.000 0.912 242 S HN 0.350 nan 8.310 nan 0.000 0.541 243 V N 2.007 121.993 119.914 0.120 0.000 2.644 243 V HA 0.430 4.553 4.120 0.005 0.000 0.295 243 V C 0.914 177.100 176.094 0.154 0.000 1.053 243 V CA -0.738 61.617 62.300 0.093 0.000 0.987 243 V CB 1.427 33.256 31.823 0.010 0.000 1.006 243 V HN 1.074 nan 8.190 nan 0.000 0.472 244 S N 4.586 120.367 115.700 0.135 0.000 2.563 244 S HA 0.092 4.564 4.470 0.005 0.000 0.284 244 S C -1.353 173.331 174.600 0.139 0.000 1.331 244 S CA -0.487 57.791 58.200 0.129 0.000 1.047 244 S CB 0.781 64.052 63.200 0.118 0.000 0.859 244 S HN 0.649 nan 8.310 nan 0.000 0.514 245 P HA -0.035 nan 4.420 nan 0.000 0.221 245 P C 1.281 178.641 177.300 0.100 0.000 1.150 245 P CA 0.683 63.843 63.100 0.100 0.000 0.800 245 P CB 0.051 31.796 31.700 0.075 0.000 0.787 246 I N -1.033 119.604 120.570 0.113 0.000 2.235 246 I HA -0.179 3.994 4.170 0.005 0.000 0.241 246 I C 2.315 178.542 176.117 0.182 0.000 1.085 246 I CA 1.635 63.014 61.300 0.131 0.000 1.378 246 I CB -1.748 36.326 38.000 0.123 0.000 1.076 246 I HN 0.071 nan 8.210 nan 0.000 0.415 247 H N 0.484 119.597 119.070 0.071 0.000 2.521 247 H HA -0.083 4.476 4.556 0.005 0.000 0.286 247 H C 2.187 177.562 175.328 0.077 0.000 1.034 247 H CA 1.180 57.256 56.048 0.047 0.000 1.278 247 H CB -0.021 29.731 29.762 -0.017 0.000 1.386 247 H HN 0.252 nan 8.280 nan 0.000 0.567 248 C N -0.315 118.969 119.300 -0.028 0.000 2.505 248 C HA -0.006 4.457 4.460 0.005 0.000 0.279 248 C C 2.610 177.592 174.990 -0.012 0.000 1.316 248 C CA 0.818 59.798 59.018 -0.064 0.000 1.720 248 C CB -0.403 27.375 27.740 0.063 0.000 2.050 248 C HN 0.727 nan 8.230 nan 0.000 0.493 249 E N -0.410 119.817 120.200 0.045 0.000 2.110 249 E HA -0.247 4.106 4.350 0.005 0.000 0.193 249 E C 1.849 178.477 176.600 0.046 0.000 0.988 249 E CA 1.273 57.699 56.400 0.043 0.000 0.804 249 E CB -0.210 29.521 29.700 0.052 0.000 0.745 249 E HN 0.743 nan 8.360 nan 0.000 0.458 250 Y N 0.991 121.269 120.300 -0.036 0.000 2.089 250 Y HA -0.177 4.376 4.550 0.005 0.000 0.282 250 Y C 2.092 177.946 175.900 -0.078 0.000 1.139 250 Y CA 1.642 59.725 58.100 -0.027 0.000 1.123 250 Y CB -0.346 38.134 38.460 0.033 0.000 0.980 250 Y HN 0.017 nan 8.280 nan 0.000 0.493 251 L N -0.539 120.745 121.223 0.101 0.000 2.191 251 L HA -0.215 4.128 4.340 0.005 0.000 0.212 251 L C 2.146 178.991 176.870 -0.042 0.000 1.103 251 L CA 1.918 56.728 54.840 -0.050 0.000 0.769 251 L CB -0.734 41.143 42.059 -0.303 0.000 0.908 251 L HN 0.408 nan 8.230 nan 0.000 0.438 252 T N -5.059 109.477 114.554 -0.031 0.000 3.081 252 T HA 0.015 4.368 4.350 0.005 0.000 0.255 252 T C 1.545 176.235 174.700 -0.017 0.000 1.113 252 T CA 0.259 62.348 62.100 -0.019 0.000 1.082 252 T CB -0.145 68.719 68.868 -0.007 0.000 0.939 252 T HN 0.171 nan 8.240 nan 0.000 0.506 253 N N 1.606 120.285 118.700 -0.035 0.000 2.250 253 N HA 0.191 4.934 4.740 0.005 0.000 0.181 253 N C 1.638 177.129 175.510 -0.031 0.000 1.017 253 N CA 0.917 53.932 53.050 -0.060 0.000 0.866 253 N CB -0.356 38.044 38.487 -0.144 0.000 0.985 253 N HN 0.417 nan 8.380 nan 0.000 0.429 254 M N -0.601 118.996 119.600 -0.005 0.000 2.557 254 M HA 0.087 4.570 4.480 0.005 0.000 0.259 254 M C 0.753 177.093 176.300 0.066 0.000 1.086 254 M CA 0.637 55.977 55.300 0.066 0.000 1.096 254 M CB 0.043 32.710 32.600 0.111 0.000 1.424 254 M HN 0.239 nan 8.290 nan 0.000 0.488 255 G N 1.065 109.881 108.800 0.026 0.000 2.160 255 G HA2 -0.192 3.770 3.960 0.005 0.000 0.244 255 G HA3 -0.192 3.770 3.960 0.005 0.000 0.244 255 G C -0.140 174.771 174.900 0.018 0.000 1.022 255 G CA -0.188 44.924 45.100 0.020 0.000 0.741 255 G HN 0.333 nan 8.290 nan 0.000 0.508 256 V N -0.352 119.563 119.914 0.002 0.000 2.547 256 V HA 0.636 4.759 4.120 0.005 0.000 0.299 256 V C 1.159 177.228 176.094 -0.041 0.000 1.040 256 V CA -0.443 61.845 62.300 -0.020 0.000 0.913 256 V CB 1.682 33.439 31.823 -0.110 0.000 0.992 256 V HN 0.376 nan 8.190 nan 0.000 0.449 257 R N 2.122 122.619 120.500 -0.004 0.000 2.521 257 R HA 0.567 4.910 4.340 0.005 0.000 0.289 257 R C 0.108 176.416 176.300 0.014 0.000 0.936 257 R CA 0.221 56.322 56.100 0.001 0.000 1.089 257 R CB 1.320 31.634 30.300 0.023 0.000 1.348 257 R HN 0.688 nan 8.270 nan 0.000 0.536 258 A N 0.875 123.736 122.820 0.068 0.000 2.449 258 A HA 0.662 4.985 4.320 0.005 0.000 0.302 258 A C -0.833 176.849 177.584 0.165 0.000 1.048 258 A CA -0.539 51.565 52.037 0.111 0.000 0.708 258 A CB 1.870 20.968 19.000 0.164 0.000 1.274 258 A HN 0.015 nan 8.150 nan 0.000 0.410 259 S N 2.388 118.158 115.700 0.118 0.000 2.599 259 S HA 0.900 5.373 4.470 0.005 0.000 0.287 259 S C -0.932 173.720 174.600 0.086 0.000 1.105 259 S CA -0.528 57.736 58.200 0.106 0.000 0.899 259 S CB 1.597 64.839 63.200 0.070 0.000 1.100 259 S HN 1.035 nan 8.310 nan 0.000 0.482 260 M N 3.165 122.760 119.600 -0.008 0.000 2.346 260 M HA 0.335 4.817 4.480 0.005 0.000 0.287 260 M C -1.819 174.449 176.300 -0.054 0.000 1.100 260 M CA -0.112 55.173 55.300 -0.025 0.000 0.950 260 M CB 1.901 34.472 32.600 -0.049 0.000 1.815 260 M HN 1.023 nan 8.290 nan 0.000 0.497 261 S N 4.399 120.123 115.700 0.040 0.000 2.538 261 S HA 0.818 5.291 4.470 0.005 0.000 0.288 261 S C -0.957 173.703 174.600 0.100 0.000 1.108 261 S CA -0.903 57.336 58.200 0.066 0.000 0.971 261 S CB 1.865 65.169 63.200 0.173 0.000 1.041 261 S HN 0.518 nan 8.310 nan 0.000 0.483 262 I N 2.630 123.269 120.570 0.116 0.000 2.353 262 I HA 0.443 4.616 4.170 0.005 0.000 0.293 262 I C 0.453 176.722 176.117 0.254 0.000 0.992 262 I CA -0.431 60.994 61.300 0.209 0.000 1.268 262 I CB 1.038 39.195 38.000 0.261 0.000 1.387 262 I HN 0.690 nan 8.210 nan 0.000 0.478 263 S N 6.485 122.307 115.700 0.203 0.000 2.617 263 S HA 0.679 5.152 4.470 0.005 0.000 0.283 263 S C -0.012 174.670 174.600 0.135 0.000 1.189 263 S CA -0.532 57.757 58.200 0.149 0.000 1.036 263 S CB 1.782 65.068 63.200 0.144 0.000 1.014 263 S HN 0.379 nan 8.310 nan 0.000 0.522 264 I N 2.402 123.038 120.570 0.109 0.000 2.411 264 I HA 0.353 4.526 4.170 0.005 0.000 0.284 264 I C -1.126 175.067 176.117 0.127 0.000 1.012 264 I CA -0.556 60.815 61.300 0.119 0.000 1.119 264 I CB 1.479 39.600 38.000 0.202 0.000 1.261 264 I HN 0.216 nan 8.210 nan 0.000 0.448 265 V N 7.065 127.011 119.914 0.053 0.000 2.417 265 V HA 0.473 4.596 4.120 0.005 0.000 0.291 265 V C -0.216 175.879 176.094 0.002 0.000 1.024 265 V CA -0.718 61.608 62.300 0.044 0.000 0.861 265 V CB 2.101 33.934 31.823 0.017 0.000 0.985 265 V HN 0.488 nan 8.190 nan 0.000 0.436 266 V N 1.461 121.393 119.914 0.031 0.000 2.447 266 V HA 0.884 5.007 4.120 0.005 0.000 0.292 266 V C 0.529 176.631 176.094 0.012 0.000 1.021 266 V CA -0.148 62.135 62.300 -0.028 0.000 0.850 266 V CB 0.905 32.651 31.823 -0.128 0.000 1.005 266 V HN 1.481 nan 8.190 nan 0.000 0.426 267 G N 2.975 111.772 108.800 -0.006 0.000 2.372 267 G HA2 0.177 4.140 3.960 0.005 0.000 0.297 267 G HA3 0.177 4.140 3.960 0.005 0.000 0.297 267 G C 1.322 176.233 174.900 0.018 0.000 1.005 267 G CA 0.774 45.878 45.100 0.006 0.000 1.173 267 G HN 2.881 nan 8.290 nan 0.000 0.511 268 G N -1.097 107.711 108.800 0.013 0.000 2.162 268 G HA2 -0.267 3.696 3.960 0.005 0.000 0.260 268 G HA3 -0.267 3.696 3.960 0.005 0.000 0.260 268 G C 0.323 175.229 174.900 0.009 0.000 0.976 268 G CA 1.460 46.566 45.100 0.010 0.000 0.655 268 G HN 1.411 nan 8.290 nan 0.000 0.533 269 K N -0.237 120.179 120.400 0.027 0.000 2.316 269 K HA 0.656 4.979 4.320 0.005 0.000 0.251 269 K C -0.344 176.271 176.600 0.024 0.000 0.934 269 K CA -1.288 55.015 56.287 0.027 0.000 0.802 269 K CB 1.125 33.673 32.500 0.080 0.000 1.171 269 K HN 0.173 nan 8.250 nan 0.000 0.426 270 L N 5.916 127.097 121.223 -0.070 0.000 2.404 270 L HA 0.164 4.507 4.340 0.005 0.000 0.277 270 L C 0.122 176.957 176.870 -0.058 0.000 1.184 270 L CA 0.092 54.852 54.840 -0.134 0.000 1.013 270 L CB -0.436 41.395 42.059 -0.381 0.000 1.318 270 L HN 0.837 nan 8.230 nan 0.000 0.435 271 W N 5.971 127.236 121.300 -0.059 0.000 2.721 271 W HA 0.334 4.997 4.660 0.004 0.000 0.245 271 W C 0.937 177.531 176.519 0.126 0.000 1.276 271 W CA 0.935 58.294 57.345 0.024 0.000 1.342 271 W CB 0.098 29.553 29.460 -0.010 0.000 1.135 271 W HN 0.746 nan 8.180 nan 0.000 0.654 272 G N 0.482 109.437 108.800 0.258 0.000 2.326 272 G HA2 0.320 4.283 3.960 0.005 0.000 0.413 272 G HA3 0.320 4.283 3.960 0.005 0.000 0.413 272 G C -1.964 173.014 174.900 0.130 0.000 1.444 272 G CA -0.712 44.577 45.100 0.315 0.000 1.002 272 G HN 0.698 nan 8.290 nan 0.000 0.649 273 L N -2.362 118.866 121.223 0.008 0.000 2.469 273 L HA 0.955 5.297 4.340 0.005 0.000 0.256 273 L C -0.890 175.684 176.870 -0.494 0.000 1.006 273 L CA -1.639 53.101 54.840 -0.167 0.000 0.832 273 L CB 1.066 43.101 42.059 -0.041 0.000 1.421 273 L HN 0.545 nan 8.230 nan 0.000 0.410 274 F N 0.253 120.101 119.950 -0.170 0.000 2.384 274 F HA 0.736 5.266 4.527 0.005 0.000 0.338 274 F C 0.940 176.526 175.800 -0.356 0.000 1.103 274 F CA -0.002 57.821 58.000 -0.296 0.000 1.157 274 F CB 1.836 40.723 39.000 -0.189 0.000 1.167 274 F HN 0.667 nan 8.300 nan 0.000 0.529 275 S N 1.943 117.455 115.700 -0.313 0.000 2.557 275 S HA 0.632 5.105 4.470 0.005 0.000 0.291 275 S C -1.387 173.051 174.600 -0.271 0.000 1.116 275 S CA -0.563 57.471 58.200 -0.276 0.000 0.992 275 S CB 0.610 63.596 63.200 -0.357 0.000 1.028 275 S HN 0.703 nan 8.310 nan 0.000 0.484 276 C N 4.925 124.078 119.300 -0.246 0.000 2.298 276 C HA 0.599 5.062 4.460 0.005 0.000 0.323 276 C C -0.060 174.896 174.990 -0.056 0.000 1.284 276 C CA -0.656 58.091 59.018 -0.452 0.000 1.577 276 C CB -0.421 26.554 27.740 -1.274 0.000 2.249 276 C HN 0.901 nan 8.230 nan 0.000 0.497 277 H N 0.603 119.660 119.070 -0.021 0.000 2.569 277 H HA 0.493 5.052 4.556 0.005 0.000 0.357 277 H C -0.993 174.603 175.328 0.447 0.000 1.153 277 H CA -0.513 55.642 56.048 0.178 0.000 1.193 277 H CB 1.902 31.726 29.762 0.104 0.000 1.602 277 H HN 0.679 nan 8.280 nan 0.000 0.523 278 H N 1.875 121.139 119.070 0.322 0.000 2.856 278 H HA 0.132 4.691 4.556 0.005 0.000 0.355 278 H C 0.036 175.419 175.328 0.091 0.000 1.079 278 H CA -0.727 55.441 56.048 0.199 0.000 1.240 278 H CB 1.106 30.930 29.762 0.103 0.000 1.701 278 H HN 0.509 nan 8.280 nan 0.000 0.527 279 M N 2.102 121.604 119.600 -0.163 0.000 2.691 279 M HA 0.121 4.604 4.480 0.005 0.000 0.227 279 M C -0.224 176.024 176.300 -0.087 0.000 1.120 279 M CA 0.283 55.525 55.300 -0.097 0.000 1.034 279 M CB -1.646 30.890 32.600 -0.107 0.000 1.675 279 M HN 0.517 nan 8.290 nan 0.000 0.514 280 S N -1.292 114.373 115.700 -0.059 0.000 2.570 280 S HA 0.701 5.174 4.470 0.005 0.000 0.270 280 S C -3.133 171.551 174.600 0.140 0.000 1.149 280 S CA -1.476 56.743 58.200 0.032 0.000 0.837 280 S CB 1.999 65.203 63.200 0.006 0.000 1.124 280 S HN -0.098 nan 8.310 nan 0.000 0.465 281 P HA 0.348 nan 4.420 nan 0.000 0.266 281 P C -0.904 176.411 177.300 0.024 0.000 1.195 281 P CA -0.062 63.068 63.100 0.050 0.000 0.768 281 P CB 0.319 32.035 31.700 0.027 0.000 0.838 282 K N 2.467 122.838 120.400 -0.049 0.000 2.542 282 K HA 0.611 4.934 4.320 0.005 0.000 0.259 282 K C -1.964 174.540 176.600 -0.160 0.000 0.932 282 K CA -0.812 55.368 56.287 -0.178 0.000 0.820 282 K CB 1.658 33.867 32.500 -0.484 0.000 1.345 282 K HN 0.364 nan 8.250 nan 0.000 0.432 283 L N 4.325 125.453 121.223 -0.158 0.000 2.401 283 L HA 0.593 4.936 4.340 0.005 0.000 0.266 283 L C -1.606 175.221 176.870 -0.073 0.000 0.991 283 L CA -0.908 53.858 54.840 -0.123 0.000 0.818 283 L CB 1.643 43.629 42.059 -0.121 0.000 1.321 283 L HN 0.613 nan 8.230 nan 0.000 0.413 284 I N 5.431 125.995 120.570 -0.010 0.000 2.406 284 I HA 0.490 4.663 4.170 0.005 0.000 0.290 284 I C -2.138 174.002 176.117 0.039 0.000 0.999 284 I CA -2.010 59.303 61.300 0.020 0.000 1.124 284 I CB 1.747 39.801 38.000 0.090 0.000 1.289 284 I HN 0.448 nan 8.210 nan 0.000 0.441 285 P HA 0.024 nan 4.420 nan 0.000 0.272 285 P C 0.365 177.718 177.300 0.089 0.000 1.223 285 P CA -0.063 63.076 63.100 0.066 0.000 0.784 285 P CB 0.460 32.181 31.700 0.035 0.000 0.923 286 Y N 5.352 125.671 120.300 0.030 0.000 2.081 286 Y HA -0.206 4.346 4.550 0.004 0.000 0.280 286 Y C -0.861 175.053 175.900 0.024 0.000 1.163 286 Y CA 2.487 60.607 58.100 0.033 0.000 1.135 286 Y CB -2.097 36.387 38.460 0.039 0.000 0.970 286 Y HN 0.420 nan 8.280 nan 0.000 0.498 287 P HA -0.193 nan 4.420 nan 0.000 0.218 287 P C 1.859 179.101 177.300 -0.097 0.000 1.148 287 P CA 2.122 65.213 63.100 -0.015 0.000 0.822 287 P CB -0.095 31.654 31.700 0.083 0.000 0.784 288 V N 0.169 119.988 119.914 -0.158 0.000 2.270 288 V HA -0.199 3.924 4.120 0.005 0.000 0.245 288 V C 2.330 178.157 176.094 -0.445 0.000 1.043 288 V CA 1.672 63.773 62.300 -0.330 0.000 1.014 288 V CB -1.109 30.533 31.823 -0.301 0.000 0.645 288 V HN 0.063 nan 8.190 nan 0.000 0.447 289 R N -0.444 119.895 120.500 -0.269 0.000 2.303 289 R HA -0.080 4.263 4.340 0.005 0.000 0.225 289 R C 1.937 178.128 176.300 -0.182 0.000 1.114 289 R CA 0.990 56.999 56.100 -0.151 0.000 1.007 289 R CB -0.248 30.016 30.300 -0.060 0.000 0.861 289 R HN 0.407 nan 8.270 nan 0.000 0.471 290 M N -0.818 118.617 119.600 -0.276 0.000 2.501 290 M HA 0.026 4.509 4.480 0.005 0.000 0.261 290 M C 2.158 178.472 176.300 0.024 0.000 1.129 290 M CA 0.851 56.074 55.300 -0.128 0.000 1.126 290 M CB -0.310 32.180 32.600 -0.184 0.000 1.359 290 M HN -0.009 nan 8.290 nan 0.000 0.471 291 S N 0.400 115.982 115.700 -0.196 0.000 2.387 291 S HA -0.067 4.406 4.470 0.005 0.000 0.226 291 S C 1.669 176.162 174.600 -0.179 0.000 1.026 291 S CA 1.025 58.986 58.200 -0.397 0.000 0.972 291 S CB -0.085 62.777 63.200 -0.564 0.000 0.814 291 S HN 0.301 nan 8.310 nan 0.000 0.477 292 F N 1.938 121.825 119.950 -0.104 0.000 2.325 292 F HA 0.190 4.721 4.527 0.006 0.000 0.299 292 F C 2.547 178.432 175.800 0.142 0.000 1.090 292 F CA 0.664 58.637 58.000 -0.046 0.000 1.392 292 F CB -1.110 37.844 39.000 -0.078 0.000 1.053 292 F HN 0.381 nan 8.300 nan 0.000 0.521 293 Q N 0.612 120.556 119.800 0.241 0.000 2.083 293 Q HA -0.158 4.185 4.340 0.005 0.000 0.198 293 Q C 2.352 178.450 176.000 0.163 0.000 0.969 293 Q CA 1.394 57.306 55.803 0.181 0.000 0.838 293 Q CB -0.283 28.512 28.738 0.095 0.000 0.900 293 Q HN 0.512 nan 8.270 nan 0.000 0.436 294 I N 0.406 121.069 120.570 0.155 0.000 2.493 294 I HA -0.203 3.970 4.170 0.005 0.000 0.254 294 I C 1.921 178.116 176.117 0.131 0.000 1.160 294 I CA 0.841 62.218 61.300 0.127 0.000 1.445 294 I CB -0.044 38.029 38.000 0.122 0.000 1.086 294 I HN 0.382 nan 8.210 nan 0.000 0.433 295 F N 0.609 120.568 119.950 0.014 0.000 2.128 295 F HA -0.183 4.347 4.527 0.005 0.000 0.295 295 F C 2.704 178.517 175.800 0.023 0.000 1.100 295 F CA 1.555 59.560 58.000 0.008 0.000 1.260 295 F CB -0.739 38.270 39.000 0.015 0.000 1.009 295 F HN 0.073 nan 8.300 nan 0.000 0.476 296 S N 0.333 116.011 115.700 -0.037 0.000 2.389 296 S HA -0.360 4.113 4.470 0.005 0.000 0.231 296 S C 1.840 176.333 174.600 -0.179 0.000 1.052 296 S CA 2.197 60.303 58.200 -0.157 0.000 1.053 296 S CB -0.682 62.582 63.200 0.106 0.000 0.886 296 S HN 0.754 nan 8.310 nan 0.000 0.456 297 Q N -0.405 119.340 119.800 -0.091 0.000 2.472 297 Q HA 0.153 4.496 4.340 0.005 0.000 0.208 297 Q C 1.946 177.878 176.000 -0.113 0.000 0.958 297 Q CA 0.800 56.559 55.803 -0.074 0.000 0.932 297 Q CB 0.160 28.886 28.738 -0.019 0.000 1.007 297 Q HN 0.520 nan 8.270 nan 0.000 0.508 298 V N -1.241 118.568 119.914 -0.175 0.000 2.685 298 V HA -0.155 3.968 4.120 0.005 0.000 0.244 298 V C 1.975 177.925 176.094 -0.241 0.000 1.054 298 V CA 0.766 62.964 62.300 -0.169 0.000 1.076 298 V CB -0.033 31.718 31.823 -0.120 0.000 0.725 298 V HN 0.453 nan 8.190 nan 0.000 0.467 299 C N 0.172 119.226 119.300 -0.410 0.000 2.436 299 C HA -0.134 4.329 4.460 0.005 0.000 0.277 299 C C 3.144 177.981 174.990 -0.254 0.000 1.241 299 C CA 1.523 60.324 59.018 -0.363 0.000 1.721 299 C CB -0.963 26.487 27.740 -0.483 0.000 2.043 299 C HN 0.569 nan 8.230 nan 0.000 0.472 300 S N 0.974 116.540 115.700 -0.223 0.000 2.402 300 S HA -0.193 4.280 4.470 0.005 0.000 0.233 300 S C 2.017 176.492 174.600 -0.209 0.000 1.030 300 S CA 1.505 59.583 58.200 -0.203 0.000 1.003 300 S CB -0.394 62.731 63.200 -0.125 0.000 0.813 300 S HN 0.747 nan 8.310 nan 0.000 0.477 301 A N 0.310 123.027 122.820 -0.172 0.000 1.930 301 A HA 0.116 4.439 4.320 0.005 0.000 0.215 301 A C 1.945 179.441 177.584 -0.147 0.000 1.176 301 A CA 0.904 52.858 52.037 -0.138 0.000 0.632 301 A CB -0.253 18.685 19.000 -0.103 0.000 0.819 301 A HN 0.415 nan 8.150 nan 0.000 0.445 302 I N -1.328 119.146 120.570 -0.160 0.000 2.628 302 I HA -0.005 4.167 4.170 0.005 0.000 0.255 302 I C 2.196 178.205 176.117 -0.180 0.000 1.119 302 I CA 0.547 61.764 61.300 -0.137 0.000 1.448 302 I CB -0.111 37.829 38.000 -0.100 0.000 1.133 302 I HN 0.064 nan 8.210 nan 0.000 0.438 303 V N 1.016 120.774 119.914 -0.259 0.000 2.688 303 V HA -0.270 3.853 4.120 0.005 0.000 0.256 303 V C 2.479 178.271 176.094 -0.503 0.000 1.084 303 V CA 1.959 64.006 62.300 -0.422 0.000 1.103 303 V CB -0.626 30.811 31.823 -0.643 0.000 0.688 303 V HN 0.515 nan 8.190 nan 0.000 0.480 304 E N 1.492 121.464 120.200 -0.380 0.000 2.072 304 E HA -0.197 4.156 4.350 0.005 0.000 0.190 304 E C 2.150 178.634 176.600 -0.193 0.000 0.982 304 E CA 1.274 57.494 56.400 -0.301 0.000 0.803 304 E CB -0.164 29.407 29.700 -0.216 0.000 0.755 304 E HN 0.637 nan 8.360 nan 0.000 0.453 305 R N -0.063 120.346 120.500 -0.151 0.000 2.393 305 R HA 0.151 4.494 4.340 0.005 0.000 0.244 305 R C 0.902 177.154 176.300 -0.081 0.000 0.920 305 R CA -0.032 56.009 56.100 -0.098 0.000 1.076 305 R CB 0.134 30.389 30.300 -0.075 0.000 1.119 305 R HN 0.184 nan 8.270 nan 0.000 0.524 306 L N 1.215 122.377 121.223 -0.101 0.000 2.446 306 L HA 0.138 4.480 4.340 0.005 0.000 0.219 306 L C 1.696 178.538 176.870 -0.047 0.000 1.116 306 L CA 1.315 56.118 54.840 -0.062 0.000 0.844 306 L CB -0.160 41.866 42.059 -0.055 0.000 0.970 306 L HN 0.094 nan 8.230 nan 0.000 0.457 307 E N -0.608 119.547 120.200 -0.076 0.000 2.474 307 E HA -0.017 4.335 4.350 0.005 0.000 0.195 307 E C 1.414 177.996 176.600 -0.029 0.000 1.039 307 E CA 0.097 56.479 56.400 -0.031 0.000 0.881 307 E CB 0.522 30.204 29.700 -0.030 0.000 0.970 307 E HN 0.658 nan 8.360 nan 0.000 0.486 308 Q N -0.825 118.947 119.800 -0.046 0.000 2.281 308 Q HA 0.158 4.500 4.340 0.005 0.000 0.215 308 Q C 1.482 177.465 176.000 -0.028 0.000 0.867 308 Q CA 0.602 56.383 55.803 -0.036 0.000 0.940 308 Q CB 0.396 29.107 28.738 -0.045 0.000 1.111 308 Q HN 0.037 nan 8.270 nan 0.000 0.513 309 G N 0.866 109.650 108.800 -0.027 0.000 2.744 309 G HA2 -0.036 3.927 3.960 0.005 0.000 0.211 309 G HA3 -0.036 3.927 3.960 0.005 0.000 0.211 309 G C 1.431 176.324 174.900 -0.012 0.000 1.146 309 G CA -0.058 45.030 45.100 -0.019 0.000 0.787 309 G HN 0.197 nan 8.290 nan 0.000 0.534 310 R N 0.353 120.848 120.500 -0.009 0.000 2.052 310 R HA 0.049 4.392 4.340 0.005 0.000 0.226 310 R C 2.432 178.728 176.300 -0.006 0.000 1.145 310 R CA 1.106 57.205 56.100 -0.002 0.000 0.952 310 R CB -0.256 30.049 30.300 0.009 0.000 0.847 310 R HN 0.350 nan 8.270 nan 0.000 0.431 311 I N -0.100 120.465 120.570 -0.009 0.000 3.083 311 I HA -0.007 4.166 4.170 0.005 0.000 0.273 311 I C 1.346 177.453 176.117 -0.017 0.000 1.297 311 I CA 1.488 62.779 61.300 -0.014 0.000 1.452 311 I CB -0.954 37.035 38.000 -0.017 0.000 1.078 311 I HN 0.118 nan 8.210 nan 0.000 0.484 312 A N 0.848 123.659 122.820 -0.015 0.000 2.132 312 A HA -0.037 4.286 4.320 0.005 0.000 0.213 312 A C 2.113 179.690 177.584 -0.012 0.000 1.154 312 A CA 0.992 53.020 52.037 -0.015 0.000 0.753 312 A CB -0.272 18.719 19.000 -0.015 0.000 0.826 312 A HN 0.527 nan 8.150 nan 0.000 0.469 313 E N 0.293 120.487 120.200 -0.010 0.000 2.057 313 E HA 0.025 4.378 4.350 0.005 0.000 0.190 313 E C 1.821 178.415 176.600 -0.009 0.000 0.969 313 E CA 0.611 57.006 56.400 -0.008 0.000 0.812 313 E CB -0.403 29.295 29.700 -0.004 0.000 0.777 313 E HN 0.423 nan 8.360 nan 0.000 0.455 314 L N 0.691 121.908 121.223 -0.011 0.000 2.021 314 L HA -0.217 4.126 4.340 0.005 0.000 0.215 314 L C 2.533 179.392 176.870 -0.019 0.000 1.074 314 L CA 1.140 55.971 54.840 -0.015 0.000 0.760 314 L CB -0.798 41.248 42.059 -0.021 0.000 0.889 314 L HN 0.339 nan 8.230 nan 0.000 0.433 315 L N 0.039 121.250 121.223 -0.020 0.000 2.042 315 L HA -0.230 4.113 4.340 0.005 0.000 0.210 315 L C 2.774 179.634 176.870 -0.017 0.000 1.076 315 L CA 1.740 56.567 54.840 -0.022 0.000 0.749 315 L CB -0.933 41.113 42.059 -0.022 0.000 0.893 315 L HN 0.341 nan 8.230 nan 0.000 0.432 316 R N -0.385 120.107 120.500 -0.013 0.000 2.064 316 R HA -0.145 4.197 4.340 0.005 0.000 0.228 316 R C 2.289 178.584 176.300 -0.009 0.000 1.144 316 R CA 2.294 58.388 56.100 -0.010 0.000 0.932 316 R CB -0.358 29.937 30.300 -0.008 0.000 0.833 316 R HN 0.365 nan 8.270 nan 0.000 0.429 317 V N -1.064 118.846 119.914 -0.007 0.000 2.453 317 V HA -0.217 3.906 4.120 0.005 0.000 0.252 317 V C 2.046 178.138 176.094 -0.004 0.000 1.068 317 V CA 2.336 64.634 62.300 -0.004 0.000 1.070 317 V CB -0.826 30.998 31.823 0.000 0.000 0.664 317 V HN 0.241 nan 8.190 nan 0.000 0.461 318 S N 0.907 116.603 115.700 -0.007 0.000 2.387 318 S HA -0.209 4.263 4.470 0.005 0.000 0.230 318 S C 2.066 176.663 174.600 -0.006 0.000 1.035 318 S CA 2.288 60.483 58.200 -0.007 0.000 1.014 318 S CB -0.608 62.581 63.200 -0.018 0.000 0.836 318 S HN 1.010 nan 8.310 nan 0.000 0.466 319 T N -0.767 113.781 114.554 -0.009 0.000 3.044 319 T HA 0.134 4.487 4.350 0.005 0.000 0.255 319 T C 1.545 176.239 174.700 -0.011 0.000 1.073 319 T CA 1.016 63.110 62.100 -0.010 0.000 1.125 319 T CB -0.140 68.722 68.868 -0.011 0.000 0.908 319 T HN 0.275 nan 8.240 nan 0.000 0.480 320 E N 1.888 122.082 120.200 -0.010 0.000 2.150 320 E HA -0.075 4.278 4.350 0.005 0.000 0.193 320 E C 2.296 178.885 176.600 -0.017 0.000 0.985 320 E CA 1.038 57.431 56.400 -0.012 0.000 0.814 320 E CB -0.216 29.478 29.700 -0.009 0.000 0.752 320 E HN 0.694 nan 8.360 nan 0.000 0.466 321 R N -0.463 120.029 120.500 -0.015 0.000 2.254 321 R HA 0.152 4.495 4.340 0.005 0.000 0.195 321 R C 2.140 178.427 176.300 -0.021 0.000 0.957 321 R CA 0.184 56.272 56.100 -0.021 0.000 1.024 321 R CB -0.024 30.272 30.300 -0.006 0.000 0.952 321 R HN -0.010 nan 8.270 nan 0.000 0.484 322 R N 0.581 121.074 120.500 -0.012 0.000 2.275 322 R HA 0.087 4.430 4.340 0.005 0.000 0.199 322 R C 1.937 178.225 176.300 -0.020 0.000 0.989 322 R CA 0.186 56.278 56.100 -0.013 0.000 1.016 322 R CB 0.078 30.374 30.300 -0.006 0.000 0.918 322 R HN 0.314 nan 8.270 nan 0.000 0.473 323 L N 0.065 121.276 121.223 -0.021 0.000 2.068 323 L HA -0.039 4.303 4.340 0.005 0.000 0.204 323 L C 2.225 179.078 176.870 -0.027 0.000 1.076 323 L CA 1.388 56.216 54.840 -0.020 0.000 0.753 323 L CB -0.455 41.593 42.059 -0.017 0.000 0.910 323 L HN 0.190 nan 8.230 nan 0.000 0.439 324 A N 0.216 123.012 122.820 -0.040 0.000 1.851 324 A HA -0.267 4.056 4.320 0.005 0.000 0.216 324 A C 2.154 179.703 177.584 -0.059 0.000 1.195 324 A CA 1.775 53.776 52.037 -0.059 0.000 0.622 324 A CB -1.180 17.762 19.000 -0.097 0.000 0.831 324 A HN 0.491 nan 8.150 nan 0.000 0.444 325 L N -0.612 120.576 121.223 -0.059 0.000 2.270 325 L HA -0.198 4.145 4.340 0.005 0.000 0.217 325 L C 2.250 179.101 176.870 -0.033 0.000 1.107 325 L CA 2.363 57.174 54.840 -0.048 0.000 0.772 325 L CB -0.905 41.129 42.059 -0.042 0.000 0.902 325 L HN 0.424 nan 8.230 nan 0.000 0.439 326 A N -0.427 122.377 122.820 -0.026 0.000 2.147 326 A HA -0.068 4.255 4.320 0.005 0.000 0.211 326 A C 2.367 179.946 177.584 -0.008 0.000 1.160 326 A CA 0.466 52.494 52.037 -0.015 0.000 0.781 326 A CB -0.360 18.633 19.000 -0.012 0.000 0.842 326 A HN 0.495 nan 8.150 nan 0.000 0.475 327 R N -0.613 119.880 120.500 -0.012 0.000 2.246 327 R HA 0.163 4.506 4.340 0.005 0.000 0.199 327 R C 1.786 178.086 176.300 0.001 0.000 0.984 327 R CA 0.684 56.781 56.100 -0.006 0.000 1.015 327 R CB -0.120 30.173 30.300 -0.011 0.000 0.930 327 R HN 0.411 nan 8.270 nan 0.000 0.475 328 R N -0.751 119.747 120.500 -0.003 0.000 2.282 328 R HA 0.201 4.544 4.340 0.005 0.000 0.195 328 R C 1.367 177.681 176.300 0.023 0.000 0.909 328 R CA 0.799 56.905 56.100 0.011 0.000 1.039 328 R CB 0.431 30.729 30.300 -0.002 0.000 1.015 328 R HN 0.209 nan 8.270 nan 0.000 0.513 329 A N -0.285 122.544 122.820 0.015 0.000 2.167 329 A HA 0.162 4.485 4.320 0.005 0.000 0.208 329 A C 1.717 179.319 177.584 0.030 0.000 1.198 329 A CA -0.033 52.017 52.037 0.023 0.000 0.863 329 A CB 0.195 19.199 19.000 0.006 0.000 0.904 329 A HN 0.118 nan 8.150 nan 0.000 0.484 330 R N -0.202 120.312 120.500 0.023 0.000 2.140 330 R HA 0.019 4.361 4.340 0.005 0.000 0.213 330 R C 0.523 176.839 176.300 0.027 0.000 1.059 330 R CA 1.228 57.344 56.100 0.027 0.000 1.000 330 R CB 0.032 30.345 30.300 0.020 0.000 0.910 330 R HN 0.296 nan 8.270 nan 0.000 0.455 331 D N -0.623 119.792 120.400 0.024 0.000 2.366 331 D HA 0.094 4.737 4.640 0.005 0.000 0.205 331 D C 0.928 177.245 176.300 0.028 0.000 1.022 331 D CA 0.528 54.542 54.000 0.024 0.000 0.868 331 D CB 0.781 41.593 40.800 0.020 0.000 0.953 331 D HN 0.191 nan 8.370 nan 0.000 0.514 332 A N -0.124 122.716 122.820 0.034 0.000 2.358 332 A HA 0.164 4.487 4.320 0.005 0.000 0.223 332 A C 0.432 178.043 177.584 0.044 0.000 1.218 332 A CA 0.152 52.212 52.037 0.039 0.000 0.942 332 A CB 0.618 19.644 19.000 0.044 0.000 1.005 332 A HN -0.099 nan 8.150 nan 0.000 0.514 333 D N -0.238 120.190 120.400 0.048 0.000 2.978 333 D HA -0.119 4.524 4.640 0.005 0.000 0.205 333 D C -0.660 175.682 176.300 0.071 0.000 1.093 333 D CA 1.687 55.720 54.000 0.055 0.000 1.006 333 D CB -0.839 39.988 40.800 0.044 0.000 1.116 333 D HN 0.494 nan 8.370 nan 0.000 0.419 334 D N -0.193 120.265 120.400 0.095 0.000 2.198 334 D HA 0.198 4.840 4.640 0.005 0.000 0.247 334 D C 1.619 178.020 176.300 0.168 0.000 1.010 334 D CA -0.731 53.372 54.000 0.172 0.000 0.880 334 D CB 1.434 42.359 40.800 0.209 0.000 1.209 334 D HN -0.153 nan 8.370 nan 0.000 0.451 335 L N 1.288 122.603 121.223 0.153 0.000 2.042 335 L HA -0.175 4.167 4.340 0.005 0.000 0.210 335 L C 1.988 178.839 176.870 -0.032 0.000 1.076 335 L CA 1.587 56.404 54.840 -0.039 0.000 0.749 335 L CB -0.481 41.427 42.059 -0.252 0.000 0.893 335 L HN 0.435 nan 8.230 nan 0.000 0.432 336 F N -0.234 119.728 119.950 0.020 0.000 2.269 336 F HA -0.074 4.456 4.527 0.005 0.000 0.301 336 F C 2.478 178.293 175.800 0.025 0.000 1.082 336 F CA 0.917 58.930 58.000 0.021 0.000 1.360 336 F CB -1.421 37.592 39.000 0.021 0.000 1.041 336 F HN 0.069 nan 8.300 nan 0.000 0.512 337 G N -0.606 108.327 108.800 0.221 0.000 2.421 337 G HA2 0.021 3.983 3.960 0.005 0.000 0.217 337 G HA3 0.021 3.983 3.960 0.005 0.000 0.217 337 G C 1.785 176.760 174.900 0.126 0.000 1.143 337 G CA 0.715 45.901 45.100 0.142 0.000 0.784 337 G HN 0.448 nan 8.290 nan 0.000 0.541 338 A N 0.143 123.023 122.820 0.100 0.000 1.956 338 A HA 0.390 4.713 4.320 0.005 0.000 0.212 338 A C 2.278 179.903 177.584 0.069 0.000 1.188 338 A CA 0.283 52.371 52.037 0.084 0.000 0.675 338 A CB -0.141 18.880 19.000 0.035 0.000 0.845 338 A HN 0.271 nan 8.150 nan 0.000 0.455 339 L N -0.648 120.586 121.223 0.018 0.000 2.156 339 L HA -0.077 4.266 4.340 0.005 0.000 0.208 339 L C 2.666 179.565 176.870 0.048 0.000 1.095 339 L CA 1.066 55.897 54.840 -0.016 0.000 0.770 339 L CB -0.325 41.660 42.059 -0.124 0.000 0.914 339 L HN 0.395 nan 8.230 nan 0.000 0.439 340 A N -2.060 120.810 122.820 0.084 0.000 2.251 340 A HA -0.063 4.260 4.320 0.005 0.000 0.209 340 A C 0.907 178.561 177.584 0.116 0.000 1.187 340 A CA -0.168 51.928 52.037 0.098 0.000 0.823 340 A CB -0.724 18.337 19.000 0.102 0.000 0.846 340 A HN 0.331 nan 8.150 nan 0.000 0.486 341 H N 1.155 120.249 119.070 0.041 0.000 3.140 341 H HA 0.004 4.563 4.556 0.005 0.000 0.316 341 H C -1.585 173.770 175.328 0.044 0.000 0.986 341 H CA -0.787 55.284 56.048 0.039 0.000 1.397 341 H CB 0.890 30.671 29.762 0.032 0.000 1.377 341 H HN 0.069 nan 8.280 nan 0.000 0.585 342 P HA -0.150 nan 4.420 nan 0.000 0.215 342 P C 0.753 178.155 177.300 0.170 0.000 1.157 342 P CA 1.477 64.607 63.100 0.050 0.000 0.874 342 P CB 0.486 32.153 31.700 -0.056 0.000 0.790 343 D N -1.675 118.914 120.400 0.315 0.000 2.490 343 D HA -0.014 4.628 4.640 0.005 0.000 0.244 343 D C 0.638 177.032 176.300 0.158 0.000 0.979 343 D CA 0.877 55.004 54.000 0.212 0.000 0.924 343 D CB -0.321 40.594 40.800 0.191 0.000 1.075 343 D HN 0.149 nan 8.370 nan 0.000 0.488 344 D N 0.924 121.400 120.400 0.127 0.000 2.587 344 D HA 0.222 4.864 4.640 0.005 0.000 0.233 344 D C 0.765 177.086 176.300 0.034 0.000 1.213 344 D CA 0.027 54.026 54.000 -0.002 0.000 0.827 344 D CB 0.899 41.599 40.800 -0.166 0.000 1.006 344 D HN 0.021 nan 8.370 nan 0.000 0.490 345 G N 0.546 109.417 108.800 0.118 0.000 2.601 345 G HA2 0.388 4.351 3.960 0.005 0.000 0.317 345 G HA3 0.388 4.351 3.960 0.005 0.000 0.317 345 G C 1.209 176.193 174.900 0.141 0.000 1.246 345 G CA -0.769 44.400 45.100 0.116 0.000 1.012 345 G HN 0.158 nan 8.290 nan 0.000 0.494 346 I N -2.295 118.337 120.570 0.102 0.000 2.657 346 I HA -0.027 4.145 4.170 0.005 0.000 0.261 346 I C 2.134 178.432 176.117 0.301 0.000 1.212 346 I CA 1.707 63.094 61.300 0.146 0.000 1.453 346 I CB 0.071 37.928 38.000 -0.239 0.000 1.092 346 I HN 0.280 nan 8.210 nan 0.000 0.452 347 A N 0.709 123.657 122.820 0.213 0.000 2.167 347 A HA 0.474 4.797 4.320 0.005 0.000 0.214 347 A C 2.237 179.973 177.584 0.253 0.000 1.151 347 A CA 1.040 53.227 52.037 0.250 0.000 0.735 347 A CB -0.426 18.684 19.000 0.184 0.000 0.802 347 A HN 0.635 nan 8.150 nan 0.000 0.467 348 A N -1.484 121.474 122.820 0.230 0.000 2.312 348 A HA 0.415 4.738 4.320 0.005 0.000 0.215 348 A C 1.636 179.311 177.584 0.151 0.000 1.256 348 A CA 0.038 52.177 52.037 0.169 0.000 0.966 348 A CB -0.151 18.927 19.000 0.130 0.000 1.053 348 A HN 0.295 nan 8.150 nan 0.000 0.510 349 L N -0.217 121.130 121.223 0.208 0.000 2.127 349 L HA 0.021 4.364 4.340 0.005 0.000 0.211 349 L C -0.035 176.843 176.870 0.013 0.000 1.089 349 L CA 1.381 56.304 54.840 0.139 0.000 0.757 349 L CB -0.027 42.184 42.059 0.253 0.000 0.899 349 L HN 0.324 nan 8.230 nan 0.000 0.434 350 I N -0.963 119.618 120.570 0.019 0.000 2.548 350 I HA 0.235 4.408 4.170 0.005 0.000 0.287 350 I C -2.361 173.781 176.117 0.042 0.000 1.103 350 I CA -1.881 59.347 61.300 -0.120 0.000 1.049 350 I CB 2.139 39.798 38.000 -0.568 0.000 1.232 350 I HN -0.251 nan 8.210 nan 0.000 0.429 351 P HA -0.057 nan 4.420 nan 0.000 0.255 351 P C -0.923 176.426 177.300 0.082 0.000 1.161 351 P CA 0.169 63.294 63.100 0.042 0.000 0.768 351 P CB -0.116 31.572 31.700 -0.021 0.000 0.746 352 C N 1.084 120.477 119.300 0.155 0.000 3.173 352 C HA 0.439 4.902 4.460 0.005 0.000 0.310 352 C C 0.650 175.759 174.990 0.199 0.000 1.306 352 C CA -0.705 58.443 59.018 0.217 0.000 1.426 352 C CB 1.823 29.802 27.740 0.398 0.000 1.800 352 C HN 0.330 nan 8.230 nan 0.000 0.470 353 D N 0.495 121.016 120.400 0.202 0.000 2.328 353 D HA 0.450 5.093 4.640 0.005 0.000 0.221 353 D C 0.838 177.323 176.300 0.309 0.000 1.072 353 D CA 1.518 55.662 54.000 0.240 0.000 0.850 353 D CB 0.690 41.654 40.800 0.272 0.000 0.922 353 D HN 1.188 nan 8.370 nan 0.000 0.516 354 G N -0.828 108.139 108.800 0.278 0.000 2.316 354 G HA2 0.545 4.508 3.960 0.005 0.000 0.296 354 G HA3 0.545 4.508 3.960 0.005 0.000 0.296 354 G C -1.706 173.336 174.900 0.237 0.000 1.399 354 G CA -0.086 45.219 45.100 0.342 0.000 0.833 354 G HN 0.210 nan 8.290 nan 0.000 0.565 355 A N -1.092 121.881 122.820 0.255 0.000 2.529 355 A HA 1.010 5.333 4.320 0.005 0.000 0.296 355 A C -1.990 175.728 177.584 0.222 0.000 1.205 355 A CA -0.631 51.534 52.037 0.213 0.000 0.671 355 A CB 1.923 20.991 19.000 0.114 0.000 1.301 355 A HN 2.184 nan 8.150 nan 0.000 0.450 356 L N -0.210 121.098 121.223 0.142 0.000 2.612 356 L HA 0.702 5.045 4.340 0.005 0.000 0.256 356 L C -1.877 175.050 176.870 0.094 0.000 0.949 356 L CA -0.333 54.592 54.840 0.141 0.000 0.867 356 L CB 1.571 43.701 42.059 0.118 0.000 1.417 356 L HN 0.693 nan 8.230 nan 0.000 0.414 357 V N 4.774 124.747 119.914 0.100 0.000 2.638 357 V HA 0.636 4.758 4.120 0.005 0.000 0.306 357 V C -0.273 175.937 176.094 0.193 0.000 1.052 357 V CA -0.471 61.875 62.300 0.076 0.000 0.885 357 V CB 1.992 33.753 31.823 -0.104 0.000 0.999 357 V HN 0.824 nan 8.190 nan 0.000 0.424 358 M N 6.500 126.263 119.600 0.272 0.000 2.165 358 M HA 0.778 5.260 4.480 0.005 0.000 0.283 358 M C -2.614 173.880 176.300 0.324 0.000 0.978 358 M CA -0.580 54.914 55.300 0.323 0.000 0.948 358 M CB 1.800 34.593 32.600 0.320 0.000 1.599 358 M HN 0.613 nan 8.290 nan 0.000 0.450 359 L N 5.059 126.479 121.223 0.328 0.000 2.505 359 L HA 0.866 5.209 4.340 0.005 0.000 0.259 359 L C 0.362 177.351 176.870 0.198 0.000 0.952 359 L CA 1.249 56.224 54.840 0.225 0.000 0.840 359 L CB 2.004 44.202 42.059 0.233 0.000 1.358 359 L HN 0.972 nan 8.230 nan 0.000 0.409 360 G N 3.472 112.313 108.800 0.067 0.000 2.793 360 G HA2 -0.320 3.642 3.960 0.005 0.000 0.334 360 G HA3 -0.320 3.642 3.960 0.005 0.000 0.334 360 G C 0.653 175.590 174.900 0.062 0.000 1.186 360 G CA 0.616 45.740 45.100 0.040 0.000 0.960 360 G HN 1.731 nan 8.290 nan 0.000 0.562 361 G N -0.584 108.249 108.800 0.056 0.000 2.649 361 G HA2 0.421 4.383 3.960 0.005 0.000 0.199 361 G HA3 0.421 4.383 3.960 0.005 0.000 0.199 361 G C 0.716 175.645 174.900 0.049 0.000 1.085 361 G CA 0.691 45.818 45.100 0.045 0.000 0.804 361 G HN 0.658 nan 8.290 nan 0.000 0.671 362 R N 1.225 121.747 120.500 0.036 0.000 2.522 362 R HA 0.452 4.795 4.340 0.005 0.000 0.284 362 R C -0.215 176.180 176.300 0.158 0.000 1.032 362 R CA 0.752 56.841 56.100 -0.018 0.000 1.049 362 R CB 0.672 30.799 30.300 -0.288 0.000 0.956 362 R HN 0.160 nan 8.270 nan 0.000 0.422 363 T N 3.541 118.159 114.554 0.106 0.000 3.186 363 T HA 0.392 4.745 4.350 0.005 0.000 0.320 363 T C -0.886 173.883 174.700 0.116 0.000 0.955 363 T CA -1.045 61.156 62.100 0.169 0.000 1.030 363 T CB 0.125 69.039 68.868 0.076 0.000 1.013 363 T HN 0.469 nan 8.240 nan 0.000 0.454 364 L N 3.283 124.625 121.223 0.199 0.000 2.255 364 L HA 0.836 5.179 4.340 0.005 0.000 0.289 364 L C 0.307 177.241 176.870 0.108 0.000 1.046 364 L CA -0.793 54.123 54.840 0.126 0.000 0.816 364 L CB 1.163 43.312 42.059 0.149 0.000 1.197 364 L HN 0.601 nan 8.230 nan 0.000 0.427 365 S N 6.022 121.757 115.700 0.060 0.000 2.513 365 S HA 0.705 5.178 4.470 0.005 0.000 0.276 365 S C -0.131 174.522 174.600 0.088 0.000 1.254 365 S CA -0.785 57.470 58.200 0.092 0.000 1.053 365 S CB 1.042 64.264 63.200 0.036 0.000 0.958 365 S HN 0.826 nan 8.310 nan 0.000 0.491 366 I N 0.800 121.472 120.570 0.171 0.000 2.693 366 I HA 0.601 4.774 4.170 0.005 0.000 0.303 366 I C 0.294 176.526 176.117 0.192 0.000 1.025 366 I CA -1.182 60.199 61.300 0.135 0.000 1.086 366 I CB 1.663 39.736 38.000 0.121 0.000 1.268 366 I HN 0.862 nan 8.210 nan 0.000 0.440 367 R N 2.871 123.439 120.500 0.115 0.000 3.758 367 R HA -0.152 4.191 4.340 0.005 0.000 0.299 367 R C 0.164 176.495 176.300 0.052 0.000 1.182 367 R CA 0.779 56.949 56.100 0.117 0.000 0.809 367 R CB -2.425 27.988 30.300 0.188 0.000 1.249 367 R HN 1.394 nan 8.270 nan 0.000 0.497 368 G N -0.282 108.430 108.800 -0.146 0.000 2.356 368 G HA2 0.132 4.094 3.960 0.005 0.000 0.300 368 G HA3 0.132 4.094 3.960 0.005 0.000 0.300 368 G C -2.136 172.296 174.900 -0.780 0.000 1.331 368 G CA -0.385 44.407 45.100 -0.513 0.000 0.905 368 G HN 0.049 nan 8.290 nan 0.000 0.587 369 D N -0.422 119.445 120.400 -0.888 0.000 2.412 369 D HA 0.640 5.283 4.640 0.005 0.000 0.224 369 D C -0.009 175.803 176.300 -0.814 0.000 1.093 369 D CA -0.460 53.155 54.000 -0.643 0.000 0.850 369 D CB 0.285 40.868 40.800 -0.361 0.000 1.046 369 D HN 0.239 nan 8.370 nan 0.000 0.507 370 F N 1.799 121.571 119.950 -0.296 0.000 2.764 370 F HA 0.256 4.785 4.527 0.005 0.000 0.310 370 F C 1.740 177.310 175.800 -0.384 0.000 1.124 370 F CA -0.475 57.234 58.000 -0.485 0.000 1.252 370 F CB 0.669 39.181 39.000 -0.815 0.000 1.010 370 F HN 0.311 nan 8.300 nan 0.000 0.518 371 E N 0.852 120.967 120.200 -0.141 0.000 2.008 371 E HA -0.120 4.233 4.350 0.005 0.000 0.191 371 E C 2.020 178.541 176.600 -0.131 0.000 0.986 371 E CA 0.816 57.135 56.400 -0.135 0.000 0.807 371 E CB 0.027 29.663 29.700 -0.107 0.000 0.766 371 E HN 0.358 nan 8.360 nan 0.000 0.450 372 R N 0.767 121.202 120.500 -0.108 0.000 2.136 372 R HA -0.235 4.108 4.340 0.005 0.000 0.242 372 R C 2.568 178.805 176.300 -0.106 0.000 1.131 372 R CA 1.755 57.804 56.100 -0.085 0.000 0.937 372 R CB -0.353 29.908 30.300 -0.065 0.000 0.863 372 R HN 0.246 nan 8.270 nan 0.000 0.435 373 Q N -0.195 119.524 119.800 -0.135 0.000 1.985 373 Q HA -0.202 4.141 4.340 0.005 0.000 0.207 373 Q C 2.220 178.116 176.000 -0.173 0.000 0.996 373 Q CA 2.102 57.789 55.803 -0.192 0.000 0.851 373 Q CB -0.390 28.254 28.738 -0.156 0.000 0.921 373 Q HN 0.419 nan 8.270 nan 0.000 0.418 374 A N 0.468 123.195 122.820 -0.155 0.000 1.948 374 A HA -0.168 4.155 4.320 0.005 0.000 0.220 374 A C 2.267 179.695 177.584 -0.261 0.000 1.177 374 A CA 1.999 53.837 52.037 -0.332 0.000 0.636 374 A CB -1.135 17.405 19.000 -0.766 0.000 0.815 374 A HN 0.549 nan 8.150 nan 0.000 0.449 375 G N 0.015 108.703 108.800 -0.186 0.000 2.446 375 G HA2 -0.291 3.672 3.960 0.005 0.000 0.217 375 G HA3 -0.291 3.672 3.960 0.005 0.000 0.217 375 G C 1.419 176.288 174.900 -0.051 0.000 1.168 375 G CA 1.071 46.101 45.100 -0.116 0.000 0.771 375 G HN 0.585 nan 8.290 nan 0.000 0.551 376 N N 0.448 119.146 118.700 -0.004 0.000 2.216 376 N HA -0.078 4.665 4.740 0.005 0.000 0.183 376 N C 2.314 177.969 175.510 0.242 0.000 1.017 376 N CA 0.970 54.114 53.050 0.157 0.000 0.861 376 N CB -0.505 38.179 38.487 0.327 0.000 0.986 376 N HN 0.165 nan 8.380 nan 0.000 0.428 377 V N 1.460 121.479 119.914 0.174 0.000 2.453 377 V HA -0.195 3.928 4.120 0.005 0.000 0.252 377 V C 2.154 178.200 176.094 -0.081 0.000 1.068 377 V CA 1.263 63.671 62.300 0.181 0.000 1.070 377 V CB -0.366 31.562 31.823 0.175 0.000 0.664 377 V HN 0.147 nan 8.190 nan 0.000 0.461 378 L N -0.822 120.329 121.223 -0.120 0.000 2.209 378 L HA -0.048 4.295 4.340 0.005 0.000 0.207 378 L C 2.386 179.193 176.870 -0.105 0.000 1.094 378 L CA 1.558 56.267 54.840 -0.218 0.000 0.790 378 L CB -0.718 41.193 42.059 -0.247 0.000 0.932 378 L HN 0.352 nan 8.230 nan 0.000 0.447 379 Q N -0.675 119.103 119.800 -0.036 0.000 2.297 379 Q HA -0.178 4.165 4.340 0.005 0.000 0.204 379 Q C 2.270 178.257 176.000 -0.021 0.000 0.962 379 Q CA 0.965 56.762 55.803 -0.009 0.000 0.879 379 Q CB 0.206 28.961 28.738 0.027 0.000 0.947 379 Q HN 0.358 nan 8.270 nan 0.000 0.462 380 R N -0.253 120.224 120.500 -0.037 0.000 2.062 380 R HA 0.056 4.399 4.340 0.005 0.000 0.226 380 R C 1.905 178.131 176.300 -0.123 0.000 1.125 380 R CA 0.680 56.727 56.100 -0.089 0.000 0.966 380 R CB 0.042 30.266 30.300 -0.127 0.000 0.861 380 R HN 0.280 nan 8.270 nan 0.000 0.433 381 L N 1.393 122.518 121.223 -0.164 0.000 2.633 381 L HA -0.077 4.265 4.340 0.005 0.000 0.235 381 L C 1.833 178.682 176.870 -0.034 0.000 1.163 381 L CA 0.328 55.098 54.840 -0.117 0.000 0.859 381 L CB -0.362 41.620 42.059 -0.127 0.000 0.973 381 L HN 0.270 nan 8.230 nan 0.000 0.451 382 Q N 0.507 120.286 119.800 -0.034 0.000 2.172 382 Q HA -0.098 4.245 4.340 0.005 0.000 0.200 382 Q C 2.197 178.196 176.000 -0.001 0.000 0.964 382 Q CA 1.242 57.042 55.803 -0.006 0.000 0.855 382 Q CB 0.038 28.771 28.738 -0.008 0.000 0.918 382 Q HN 0.565 nan 8.270 nan 0.000 0.444 383 R N 0.166 120.658 120.500 -0.013 0.000 2.161 383 R HA 0.000 4.343 4.340 0.005 0.000 0.213 383 R C 0.283 176.582 176.300 -0.001 0.000 1.055 383 R CA 0.446 56.541 56.100 -0.008 0.000 0.996 383 R CB 0.239 30.529 30.300 -0.016 0.000 0.901 383 R HN 0.004 nan 8.270 nan 0.000 0.456 384 D N 0.965 121.363 120.400 -0.003 0.000 2.505 384 D HA 0.151 4.794 4.640 0.005 0.000 0.242 384 D C -1.976 174.344 176.300 0.034 0.000 1.136 384 D CA -2.392 51.614 54.000 0.011 0.000 0.954 384 D CB 1.316 42.118 40.800 0.004 0.000 1.002 384 D HN -0.068 nan 8.370 nan 0.000 0.512 385 P HA 0.070 nan 4.420 nan 0.000 0.241 385 P C 0.601 177.932 177.300 0.052 0.000 1.191 385 P CA 0.520 63.650 63.100 0.051 0.000 0.771 385 P CB 0.569 32.289 31.700 0.035 0.000 0.929 386 E N -1.134 119.091 120.200 0.042 0.000 2.415 386 E HA 0.072 4.424 4.350 0.005 0.000 0.197 386 E C 0.563 177.187 176.600 0.039 0.000 1.007 386 E CA -0.152 56.265 56.400 0.029 0.000 0.890 386 E CB 0.125 29.836 29.700 0.019 0.000 0.891 386 E HN 0.051 nan 8.360 nan 0.000 0.496 387 R N 1.467 122.008 120.500 0.069 0.000 2.522 387 R HA -0.020 4.323 4.340 0.005 0.000 0.284 387 R C -0.315 176.048 176.300 0.105 0.000 1.032 387 R CA 0.526 56.683 56.100 0.096 0.000 1.049 387 R CB 0.544 30.922 30.300 0.131 0.000 0.956 387 R HN 0.133 nan 8.270 nan 0.000 0.422 388 D N 1.355 121.786 120.400 0.052 0.000 2.454 388 D HA 0.266 4.909 4.640 0.005 0.000 0.214 388 D C 0.185 176.495 176.300 0.017 0.000 1.088 388 D CA 0.418 54.397 54.000 -0.036 0.000 0.855 388 D CB 0.698 41.454 40.800 -0.073 0.000 1.025 388 D HN 0.354 nan 8.370 nan 0.000 0.502 389 I N 0.144 120.771 120.570 0.095 0.000 2.647 389 I HA 0.387 4.559 4.170 0.005 0.000 0.295 389 I C -1.524 174.696 176.117 0.171 0.000 1.078 389 I CA -1.169 60.203 61.300 0.119 0.000 1.048 389 I CB 2.651 40.691 38.000 0.066 0.000 1.239 389 I HN -0.215 nan 8.210 nan 0.000 0.421 390 Y N 6.042 126.331 120.300 -0.018 0.000 2.519 390 Y HA 0.513 5.066 4.550 0.005 0.000 0.336 390 Y C -1.357 174.449 175.900 -0.157 0.000 1.089 390 Y CA -0.470 57.558 58.100 -0.120 0.000 1.025 390 Y CB 1.545 39.974 38.460 -0.051 0.000 1.318 390 Y HN 0.655 nan 8.280 nan 0.000 0.452 391 H N 2.031 120.566 119.070 -0.890 0.000 3.017 391 H HA 0.760 5.319 4.556 0.005 0.000 0.346 391 H C -1.780 173.191 175.328 -0.596 0.000 1.286 391 H CA -0.771 54.840 56.048 -0.728 0.000 1.120 391 H CB 2.293 31.677 29.762 -0.631 0.000 1.860 391 H HN 0.791 nan 8.280 nan 0.000 0.542 392 T N -0.095 114.505 114.554 0.076 0.000 2.722 392 T HA 0.136 4.489 4.350 0.005 0.000 0.314 392 T C -1.540 173.398 174.700 0.397 0.000 1.675 392 T CA -0.460 61.762 62.100 0.203 0.000 1.003 392 T CB 1.252 70.175 68.868 0.093 0.000 1.602 392 T HN 0.771 nan 8.240 nan 0.000 0.496 393 D N 1.800 122.364 120.400 0.274 0.000 2.670 393 D HA 0.299 4.942 4.640 0.005 0.000 0.255 393 D C 0.085 176.450 176.300 0.108 0.000 1.286 393 D CA -0.340 53.785 54.000 0.210 0.000 0.830 393 D CB 0.051 40.969 40.800 0.196 0.000 1.065 393 D HN 0.487 nan 8.370 nan 0.000 0.486 394 N N -0.568 118.226 118.700 0.157 0.000 3.102 394 N HA 0.660 5.403 4.740 0.005 0.000 0.299 394 N C -1.371 174.351 175.510 0.353 0.000 1.482 394 N CA -0.651 52.454 53.050 0.093 0.000 0.785 394 N CB 2.046 40.507 38.487 -0.043 0.000 1.680 394 N HN -0.009 nan 8.380 nan 0.000 0.594 408 C N 2.041 121.403 119.300 0.104 0.000 2.227 408 C HA 0.411 4.873 4.460 0.005 0.000 0.333 408 C C 2.051 177.113 174.990 0.121 0.000 1.145 408 C CA -0.552 58.490 59.018 0.041 0.000 1.643 408 C CB -1.422 26.336 27.740 0.030 0.000 2.185 408 C HN 0.632 nan 8.230 nan 0.000 0.497 409 C N 1.631 121.026 119.300 0.157 0.000 2.573 409 C HA 0.361 4.824 4.460 0.005 0.000 0.273 409 C C 1.146 176.276 174.990 0.234 0.000 1.346 409 C CA -0.251 58.901 59.018 0.224 0.000 1.702 409 C CB -1.651 26.193 27.740 0.174 0.000 1.751 409 C HN 0.880 nan 8.230 nan 0.000 0.583 410 G N 0.736 109.659 108.800 0.204 0.000 2.588 410 G HA2 0.582 4.545 3.960 0.005 0.000 0.312 410 G HA3 0.582 4.545 3.960 0.005 0.000 0.312 410 G C -1.038 174.091 174.900 0.383 0.000 1.257 410 G CA -0.031 45.247 45.100 0.297 0.000 0.994 410 G HN 0.278 nan 8.290 nan 0.000 0.498 411 V N 3.611 123.750 119.914 0.374 0.000 2.588 411 V HA 0.583 4.706 4.120 0.005 0.000 0.304 411 V C -0.349 175.559 176.094 -0.309 0.000 1.042 411 V CA -0.853 61.410 62.300 -0.063 0.000 0.877 411 V CB 2.009 33.807 31.823 -0.040 0.000 0.996 411 V HN 0.677 nan 8.190 nan 0.000 0.425 412 L N 4.208 125.062 121.223 -0.616 0.000 2.441 412 L HA 0.902 5.244 4.340 0.005 0.000 0.270 412 L C -0.460 176.220 176.870 -0.317 0.000 0.973 412 L CA -0.326 54.066 54.840 -0.747 0.000 0.842 412 L CB 1.577 42.717 42.059 -1.533 0.000 1.239 412 L HN 0.798 nan 8.230 nan 0.000 0.406 413 A N 6.231 128.901 122.820 -0.251 0.000 2.371 413 A HA 0.824 5.147 4.320 0.005 0.000 0.311 413 A C -0.951 176.677 177.584 0.073 0.000 1.068 413 A CA -0.615 51.230 52.037 -0.319 0.000 0.744 413 A CB 1.542 20.153 19.000 -0.649 0.000 1.239 413 A HN 0.741 nan 8.150 nan 0.000 0.435 414 I N -0.901 119.736 120.570 0.111 0.000 2.689 414 I HA 0.792 4.965 4.170 0.005 0.000 0.299 414 I C -0.436 175.575 176.117 -0.177 0.000 1.059 414 I CA -0.950 60.381 61.300 0.053 0.000 1.055 414 I CB 2.160 40.202 38.000 0.070 0.000 1.243 414 I HN 0.675 nan 8.210 nan 0.000 0.425 415 R N 4.574 124.754 120.500 -0.534 0.000 2.371 415 R HA 0.363 4.705 4.340 0.005 0.000 0.312 415 R C -0.593 175.467 176.300 -0.399 0.000 0.980 415 R CA -0.595 54.895 56.100 -1.016 0.000 0.867 415 R CB 0.848 30.118 30.300 -1.717 0.000 1.163 415 R HN 0.842 nan 8.270 nan 0.000 0.492 416 F N 0.963 120.690 119.950 -0.371 0.000 2.749 416 F HA 0.379 4.909 4.527 0.005 0.000 0.300 416 F C -0.206 175.544 175.800 -0.083 0.000 1.103 416 F CA -0.440 57.454 58.000 -0.176 0.000 1.342 416 F CB -0.028 38.914 39.000 -0.097 0.000 1.098 416 F HN 0.437 nan 8.300 nan 0.000 0.586 417 H N -0.429 118.180 119.070 -0.768 0.000 2.865 417 H HA 0.546 5.105 4.556 0.005 0.000 0.362 417 H C 0.479 175.576 175.328 -0.385 0.000 1.114 417 H CA -0.875 54.865 56.048 -0.513 0.000 1.208 417 H CB 1.696 31.111 29.762 -0.578 0.000 1.727 417 H HN -0.090 nan 8.280 nan 0.000 0.534 418 R N 1.444 121.727 120.500 -0.363 0.000 2.048 418 R HA 0.022 4.364 4.340 0.005 0.000 0.221 418 R C 1.818 178.116 176.300 -0.003 0.000 1.174 418 R CA 0.704 56.702 56.100 -0.171 0.000 0.971 418 R CB 0.015 30.205 30.300 -0.183 0.000 0.863 418 R HN 0.657 nan 8.270 nan 0.000 0.439 419 Q N 1.213 121.039 119.800 0.044 0.000 1.927 419 Q HA -0.164 4.179 4.340 0.005 0.000 0.210 419 Q C -0.049 176.045 176.000 0.156 0.000 1.001 419 Q CA 1.419 57.297 55.803 0.125 0.000 0.862 419 Q CB -0.106 28.731 28.738 0.164 0.000 0.934 419 Q HN 0.333 nan 8.270 nan 0.000 0.420 420 E N 1.988 122.327 120.200 0.232 0.000 2.081 420 E HA 0.032 4.385 4.350 0.005 0.000 0.270 420 E C -0.533 176.088 176.600 0.036 0.000 1.180 420 E CA -0.335 56.081 56.400 0.026 0.000 0.926 420 E CB 0.322 29.864 29.700 -0.264 0.000 1.035 420 E HN 0.201 nan 8.360 nan 0.000 0.418 421 S N 2.239 117.983 115.700 0.074 0.000 2.752 421 S HA 0.089 4.562 4.470 0.005 0.000 0.329 421 S C 0.478 175.117 174.600 0.065 0.000 1.204 421 S CA -0.597 57.679 58.200 0.127 0.000 1.252 421 S CB 0.370 63.740 63.200 0.284 0.000 1.053 421 S HN 0.477 nan 8.310 nan 0.000 0.533 422 G N 3.110 111.733 108.800 -0.294 0.000 2.370 422 G HA2 0.567 4.530 3.960 0.005 0.000 0.317 422 G HA3 0.567 4.530 3.960 0.005 0.000 0.317 422 G C -1.072 173.579 174.900 -0.416 0.000 1.162 422 G CA -1.005 43.710 45.100 -0.643 0.000 0.922 422 G HN 0.702 nan 8.290 nan 0.000 0.454 423 W N 1.019 122.508 121.300 0.314 0.000 3.029 423 W HA 0.725 5.388 4.660 0.005 0.000 0.339 423 W C -0.341 176.402 176.519 0.373 0.000 1.198 423 W CA -0.763 56.805 57.345 0.372 0.000 1.148 423 W CB 2.109 31.839 29.460 0.450 0.000 1.451 423 W HN 0.228 nan 8.180 nan 0.000 0.564 424 I N 1.716 122.501 120.570 0.358 0.000 2.686 424 I HA 0.469 4.641 4.170 0.005 0.000 0.295 424 I C -1.401 174.556 176.117 -0.268 0.000 1.114 424 I CA -0.952 60.356 61.300 0.014 0.000 1.038 424 I CB 1.905 39.717 38.000 -0.312 0.000 1.238 424 I HN 0.137 nan 8.210 nan 0.000 0.420 425 F N 3.204 122.859 119.950 -0.493 0.000 2.576 425 F HA 0.629 5.159 4.527 0.005 0.000 0.313 425 F C -1.160 174.236 175.800 -0.672 0.000 1.078 425 F CA -0.607 57.116 58.000 -0.461 0.000 0.921 425 F CB 1.970 40.940 39.000 -0.050 0.000 1.232 425 F HN 0.282 nan 8.300 nan 0.000 0.459 426 W N 1.862 123.088 121.300 -0.124 0.000 3.138 426 W HA 0.754 5.417 4.660 0.005 0.000 0.331 426 W C -1.986 174.457 176.519 -0.127 0.000 1.166 426 W CA -1.395 55.975 57.345 0.042 0.000 1.212 426 W CB 0.752 30.264 29.460 0.087 0.000 1.399 426 W HN 0.135 nan 8.180 nan 0.000 0.514 427 F N 1.416 121.472 119.950 0.178 0.000 2.588 427 F HA 0.772 5.302 4.527 0.005 0.000 0.314 427 F C 0.243 176.064 175.800 0.036 0.000 1.069 427 F CA -1.536 56.474 58.000 0.017 0.000 0.931 427 F CB 2.167 40.843 39.000 -0.540 0.000 1.260 427 F HN 0.117 nan 8.300 nan 0.000 0.465 428 R N 0.185 120.786 120.500 0.168 0.000 2.725 428 R HA 0.488 4.830 4.340 0.005 0.000 0.277 428 R C -1.311 174.977 176.300 -0.020 0.000 0.987 428 R CA -1.172 54.941 56.100 0.022 0.000 0.901 428 R CB 2.290 32.512 30.300 -0.130 0.000 1.207 428 R HN 0.700 nan 8.270 nan 0.000 0.463 429 H N 0.390 119.523 119.070 0.105 0.000 2.490 429 H HA 0.077 4.636 4.556 0.005 0.000 0.354 429 H C -0.236 175.129 175.328 0.061 0.000 1.365 429 H CA -0.483 55.624 56.048 0.099 0.000 1.413 429 H CB 0.755 30.575 29.762 0.097 0.000 1.631 429 H HN 0.476 nan 8.280 nan 0.000 0.607 430 E N 1.510 121.846 120.200 0.226 0.000 2.694 430 E HA -0.174 4.178 4.350 0.005 0.000 0.250 430 E C -0.298 176.357 176.600 0.092 0.000 0.963 430 E CA 0.001 56.471 56.400 0.116 0.000 0.949 430 E CB 0.314 30.063 29.700 0.082 0.000 0.911 430 E HN 0.476 nan 8.360 nan 0.000 0.500 431 E N 3.192 123.428 120.200 0.061 0.000 2.608 431 E HA -0.061 4.292 4.350 0.005 0.000 0.259 431 E C -1.153 175.510 176.600 0.105 0.000 0.951 431 E CA -0.008 56.434 56.400 0.071 0.000 0.945 431 E CB 0.784 30.526 29.700 0.070 0.000 0.916 431 E HN 0.243 nan 8.360 nan 0.000 0.477 432 V N 5.139 125.140 119.914 0.146 0.000 2.513 432 V HA 0.126 4.248 4.120 0.005 0.000 0.299 432 V C -0.742 175.528 176.094 0.292 0.000 1.035 432 V CA -0.704 61.706 62.300 0.184 0.000 0.889 432 V CB 1.549 33.442 31.823 0.116 0.000 0.988 432 V HN 0.767 nan 8.190 nan 0.000 0.440 433 H N 5.285 124.512 119.070 0.262 0.000 2.878 433 H HA 0.270 4.828 4.556 0.005 0.000 0.290 433 H C 1.059 176.461 175.328 0.123 0.000 1.065 433 H CA 0.779 57.005 56.048 0.297 0.000 1.477 433 H CB 0.552 30.609 29.762 0.491 0.000 1.484 433 H HN 0.676 nan 8.280 nan 0.000 0.504 434 R N 4.381 124.807 120.500 -0.124 0.000 2.062 434 R HA 0.020 4.363 4.340 0.005 0.000 0.229 434 R C -0.112 175.983 176.300 -0.342 0.000 1.128 434 R CA 0.988 56.976 56.100 -0.186 0.000 0.960 434 R CB 0.348 30.580 30.300 -0.114 0.000 0.855 434 R HN 0.498 nan 8.270 nan 0.000 0.432 435 I N 1.644 121.880 120.570 -0.558 0.000 2.389 435 I HA 0.371 4.544 4.170 0.005 0.000 0.288 435 I C -0.658 175.067 176.117 -0.654 0.000 0.999 435 I CA -0.554 60.433 61.300 -0.522 0.000 1.129 435 I CB 1.644 39.429 38.000 -0.359 0.000 1.288 435 I HN 0.108 nan 8.210 nan 0.000 0.444 436 R N 4.395 124.581 120.500 -0.524 0.000 2.534 436 R HA 0.436 4.779 4.340 0.005 0.000 0.301 436 R C -1.619 174.437 176.300 -0.406 0.000 0.961 436 R CA -0.450 55.455 56.100 -0.325 0.000 0.871 436 R CB 2.001 32.214 30.300 -0.146 0.000 1.170 436 R HN 0.486 nan 8.270 nan 0.000 0.446 437 W N 2.181 123.422 121.300 -0.098 0.000 2.317 437 W HA 0.337 5.000 4.660 0.005 0.000 0.327 437 W C 0.705 177.189 176.519 -0.060 0.000 1.036 437 W CA -0.620 56.673 57.345 -0.086 0.000 1.419 437 W CB 1.594 30.989 29.460 -0.107 0.000 1.253 437 W HN 0.657 nan 8.180 nan 0.000 0.392 438 G N 1.841 110.701 108.800 0.099 0.000 2.389 438 G HA2 0.324 4.287 3.960 0.005 0.000 0.287 438 G HA3 0.324 4.287 3.960 0.005 0.000 0.287 438 G C 0.726 175.684 174.900 0.095 0.000 1.126 438 G CA -0.601 44.541 45.100 0.070 0.000 1.073 438 G HN 0.714 nan 8.290 nan 0.000 0.429 439 G N 2.479 111.327 108.800 0.080 0.000 3.180 439 G HA2 0.072 4.035 3.960 0.005 0.000 0.252 439 G HA3 0.072 4.035 3.960 0.005 0.000 0.252 439 G C 1.263 176.187 174.900 0.040 0.000 0.871 439 G CA -0.410 44.725 45.100 0.058 0.000 1.979 439 G HN 0.543 nan 8.290 nan 0.000 0.624 440 K N 0.494 120.918 120.400 0.041 0.000 2.057 440 K HA -0.032 4.290 4.320 0.005 0.000 0.207 440 K C -1.294 175.318 176.600 0.021 0.000 1.049 440 K CA 0.863 57.166 56.287 0.027 0.000 0.931 440 K CB -0.531 31.984 32.500 0.025 0.000 0.714 440 K HN 0.341 nan 8.250 nan 0.000 0.440 441 P HA 0.125 nan 4.420 nan 0.000 0.288 441 P C -1.059 176.242 177.300 0.003 0.000 1.363 441 P CA -0.244 62.862 63.100 0.009 0.000 0.837 441 P CB 0.558 32.261 31.700 0.005 0.000 0.981 442 E N 2.635 122.837 120.200 0.003 0.000 2.868 442 E HA -0.082 4.271 4.350 0.005 0.000 0.246 442 E C 0.249 176.841 176.600 -0.013 0.000 0.962 442 E CA 0.559 56.959 56.400 -0.000 0.000 0.955 442 E CB 0.184 29.885 29.700 0.001 0.000 0.903 442 E HN 0.252 nan 8.360 nan 0.000 0.524 443 K N 1.735 122.122 120.400 -0.021 0.000 2.180 443 K HA 0.219 4.542 4.320 0.005 0.000 0.251 443 K C 0.463 177.043 176.600 -0.035 0.000 1.014 443 K CA -0.367 55.893 56.287 -0.045 0.000 0.913 443 K CB 0.337 32.796 32.500 -0.068 0.000 1.008 443 K HN 0.340 nan 8.250 nan 0.000 0.490 444 L N 1.706 122.903 121.223 -0.043 0.000 2.479 444 L HA 0.178 4.520 4.340 0.005 0.000 0.270 444 L C -0.050 176.810 176.870 -0.017 0.000 1.236 444 L CA -0.112 54.711 54.840 -0.028 0.000 0.823 444 L CB -0.245 41.797 42.059 -0.029 0.000 1.098 444 L HN 0.316 nan 8.230 nan 0.000 0.500 445 L N 1.296 122.512 121.223 -0.011 0.000 2.408 445 L HA 0.702 5.045 4.340 0.005 0.000 0.268 445 L C -0.337 176.529 176.870 -0.008 0.000 0.986 445 L CA -0.412 54.423 54.840 -0.008 0.000 0.820 445 L CB 2.102 44.158 42.059 -0.005 0.000 1.303 445 L HN 0.737 nan 8.230 nan 0.000 0.411 446 T N 0.657 115.204 114.554 -0.011 0.000 3.193 446 T HA 0.663 5.016 4.350 0.005 0.000 0.332 446 T C -1.121 173.565 174.700 -0.023 0.000 1.208 446 T CA -0.626 61.466 62.100 -0.013 0.000 1.080 446 T CB 1.397 70.258 68.868 -0.011 0.000 1.180 446 T HN 0.273 nan 8.240 nan 0.000 0.469 447 I N 2.630 123.188 120.570 -0.019 0.000 2.530 447 I HA 0.747 4.920 4.170 0.005 0.000 0.297 447 I C 1.033 177.138 176.117 -0.021 0.000 1.011 447 I CA -0.659 60.627 61.300 -0.023 0.000 1.107 447 I CB 1.283 39.275 38.000 -0.014 0.000 1.285 447 I HN 1.020 nan 8.210 nan 0.000 0.436 448 G N 4.511 113.296 108.800 -0.026 0.000 2.753 448 G HA2 0.661 4.624 3.960 0.005 0.000 0.285 448 G HA3 0.661 4.624 3.960 0.005 0.000 0.285 448 G C -2.178 172.718 174.900 -0.007 0.000 1.344 448 G CA -0.765 44.325 45.100 -0.016 0.000 1.050 448 G HN 0.415 nan 8.290 nan 0.000 0.532 449 P HA 0.122 nan 4.420 nan 0.000 0.217 449 P C 1.887 179.193 177.300 0.010 0.000 1.153 449 P CA 0.660 63.764 63.100 0.006 0.000 0.843 449 P CB 0.415 32.121 31.700 0.010 0.000 0.794 450 S N -1.148 114.560 115.700 0.014 0.000 2.547 450 S HA 0.310 4.782 4.470 0.005 0.000 0.235 450 S C 1.011 175.622 174.600 0.018 0.000 0.980 450 S CA 1.026 59.239 58.200 0.021 0.000 0.941 450 S CB -0.735 62.484 63.200 0.033 0.000 0.763 450 S HN 0.468 nan 8.310 nan 0.000 0.532 451 G N 0.688 109.493 108.800 0.008 0.000 2.361 451 G HA2 0.116 4.078 3.960 0.005 0.000 0.331 451 G HA3 0.116 4.078 3.960 0.005 0.000 0.331 451 G C -3.026 171.869 174.900 -0.007 0.000 1.324 451 G CA -0.784 44.320 45.100 0.006 0.000 0.984 451 G HN -0.014 nan 8.290 nan 0.000 0.586 452 P HA 0.143 nan 4.420 nan 0.000 0.249 452 P C 1.505 178.796 177.300 -0.015 0.000 1.229 452 P CA 0.295 63.388 63.100 -0.012 0.000 0.788 452 P CB 0.311 32.013 31.700 0.004 0.000 1.072 453 R N 0.920 121.420 120.500 0.000 0.000 2.115 453 R HA 0.016 4.358 4.340 0.005 0.000 0.230 453 R C 1.571 177.866 176.300 -0.009 0.000 1.111 453 R CA 1.170 57.284 56.100 0.022 0.000 0.976 453 R CB -1.410 28.919 30.300 0.049 0.000 0.870 453 R HN 0.116 nan 8.270 nan 0.000 0.445 454 L N 2.022 123.196 121.223 -0.082 0.000 2.737 454 L HA 0.085 4.428 4.340 0.005 0.000 0.246 454 L C 0.332 176.644 176.870 -0.930 0.000 1.153 454 L CA 0.268 54.951 54.840 -0.262 0.000 0.920 454 L CB -0.933 41.058 42.059 -0.114 0.000 1.090 454 L HN 0.340 nan 8.230 nan 0.000 0.430 455 T N -5.368 108.893 114.554 -0.487 0.000 2.944 455 T HA 0.362 4.714 4.350 0.005 0.000 0.284 455 T C -1.937 172.677 174.700 -0.143 0.000 1.010 455 T CA -2.042 59.811 62.100 -0.412 0.000 1.025 455 T CB 2.003 70.783 68.868 -0.148 0.000 1.079 455 T HN -0.253 nan 8.240 nan 0.000 0.516 456 P HA -0.119 nan 4.420 nan 0.000 0.214 456 P C 1.753 179.190 177.300 0.229 0.000 1.163 456 P CA 0.767 64.008 63.100 0.234 0.000 0.883 456 P CB 0.018 31.938 31.700 0.366 0.000 0.788 457 R N 0.230 120.834 120.500 0.173 0.000 2.096 457 R HA -0.085 4.258 4.340 0.005 0.000 0.235 457 R C 2.223 178.652 176.300 0.214 0.000 1.127 457 R CA 2.184 58.395 56.100 0.185 0.000 0.968 457 R CB -1.471 28.900 30.300 0.118 0.000 0.861 457 R HN 0.188 nan 8.270 nan 0.000 0.440 458 G N -0.607 108.276 108.800 0.138 0.000 2.408 458 G HA2 -0.172 3.791 3.960 0.005 0.000 0.217 458 G HA3 -0.172 3.791 3.960 0.005 0.000 0.217 458 G C 1.437 176.434 174.900 0.161 0.000 1.150 458 G CA 0.627 45.798 45.100 0.117 0.000 0.776 458 G HN 0.351 nan 8.290 nan 0.000 0.542 459 S N -0.425 115.402 115.700 0.212 0.000 2.489 459 S HA 0.090 4.563 4.470 0.005 0.000 0.228 459 S C 1.654 176.427 174.600 0.288 0.000 0.995 459 S CA 0.039 58.387 58.200 0.247 0.000 0.934 459 S CB -0.171 63.212 63.200 0.306 0.000 0.771 459 S HN 0.402 nan 8.310 nan 0.000 0.522 460 F N 2.751 122.796 119.950 0.159 0.000 2.098 460 F HA 0.021 4.551 4.527 0.005 0.000 0.294 460 F C 1.947 177.866 175.800 0.197 0.000 1.107 460 F CA 1.398 59.499 58.000 0.169 0.000 1.234 460 F CB -0.481 38.595 39.000 0.128 0.000 1.002 460 F HN 0.150 nan 8.300 nan 0.000 0.472 461 E N 0.121 120.369 120.200 0.079 0.000 2.396 461 E HA -0.177 4.175 4.350 0.005 0.000 0.200 461 E C 2.119 178.682 176.600 -0.061 0.000 1.023 461 E CA 0.646 57.014 56.400 -0.055 0.000 0.857 461 E CB -0.296 29.440 29.700 0.059 0.000 0.775 461 E HN 0.519 nan 8.360 nan 0.000 0.525 462 A N 0.365 123.196 122.820 0.019 0.000 1.970 462 A HA -0.121 4.202 4.320 0.005 0.000 0.216 462 A C 1.775 179.368 177.584 0.017 0.000 1.170 462 A CA 0.587 52.644 52.037 0.032 0.000 0.645 462 A CB -0.608 18.447 19.000 0.092 0.000 0.816 462 A HN 0.505 nan 8.150 nan 0.000 0.447 463 W N 1.103 122.291 121.300 -0.186 0.000 2.453 463 W HA -0.028 4.634 4.660 0.005 0.000 0.289 463 W C 1.748 178.095 176.519 -0.286 0.000 1.215 463 W CA 1.480 58.692 57.345 -0.221 0.000 1.297 463 W CB -0.065 29.254 29.460 -0.234 0.000 1.113 463 W HN 0.442 nan 8.180 nan 0.000 0.551 464 E N 0.339 120.201 120.200 -0.563 0.000 2.049 464 E HA -0.302 4.051 4.350 0.005 0.000 0.198 464 E C 1.827 178.131 176.600 -0.493 0.000 1.007 464 E CA 2.132 58.115 56.400 -0.695 0.000 0.809 464 E CB -0.443 28.966 29.700 -0.485 0.000 0.749 464 E HN 0.453 nan 8.360 nan 0.000 0.450 465 E N 0.131 120.152 120.200 -0.299 0.000 2.333 465 E HA -0.140 4.213 4.350 0.005 0.000 0.198 465 E C 1.967 178.452 176.600 -0.192 0.000 1.007 465 E CA 0.601 56.887 56.400 -0.190 0.000 0.845 465 E CB 0.182 29.817 29.700 -0.107 0.000 0.766 465 E HN 0.100 nan 8.360 nan 0.000 0.507 466 V N 0.504 120.245 119.914 -0.288 0.000 2.446 466 V HA -0.130 3.993 4.120 0.005 0.000 0.244 466 V C 2.113 178.023 176.094 -0.306 0.000 1.039 466 V CA 1.463 63.611 62.300 -0.253 0.000 1.045 466 V CB 0.357 32.053 31.823 -0.211 0.000 0.681 466 V HN 0.294 nan 8.190 nan 0.000 0.459 467 V N -1.517 118.092 119.914 -0.508 0.000 3.621 467 V HA 0.223 4.346 4.120 0.005 0.000 0.285 467 V C 2.171 178.153 176.094 -0.186 0.000 1.346 467 V CA 0.770 62.853 62.300 -0.363 0.000 1.104 467 V CB -0.497 30.976 31.823 -0.583 0.000 0.913 467 V HN 0.383 nan 8.190 nan 0.000 0.432 468 R N 1.841 122.215 120.500 -0.209 0.000 2.119 468 R HA -0.104 4.239 4.340 0.005 0.000 0.246 468 R C 2.067 178.341 176.300 -0.044 0.000 1.146 468 R CA 2.418 58.435 56.100 -0.139 0.000 0.962 468 R CB -0.831 29.394 30.300 -0.125 0.000 0.863 468 R HN 0.588 nan 8.270 nan 0.000 0.442 469 G N -1.533 107.275 108.800 0.013 0.000 2.683 469 G HA2 -0.041 3.921 3.960 0.005 0.000 0.213 469 G HA3 -0.041 3.921 3.960 0.005 0.000 0.213 469 G C -0.261 174.556 174.900 -0.138 0.000 1.142 469 G CA 0.065 45.121 45.100 -0.072 0.000 0.793 469 G HN 0.340 nan 8.290 nan 0.000 0.534 470 H N -0.306 118.742 119.070 -0.036 0.000 2.508 470 H HA 0.598 5.156 4.556 0.005 0.000 0.344 470 H C 0.653 175.975 175.328 -0.009 0.000 1.192 470 H CA -0.082 55.960 56.048 -0.009 0.000 1.290 470 H CB 1.620 31.366 29.762 -0.027 0.000 1.571 470 H HN 0.201 nan 8.280 nan 0.000 0.555 471 S N -0.511 115.262 115.700 0.121 0.000 2.667 471 S HA 0.402 4.874 4.470 0.005 0.000 0.292 471 S C -0.159 174.422 174.600 -0.032 0.000 1.108 471 S CA -0.892 57.325 58.200 0.028 0.000 0.992 471 S CB 0.815 64.007 63.200 -0.013 0.000 1.269 471 S HN 0.506 nan 8.310 nan 0.000 0.528 472 T N 3.545 118.009 114.554 -0.149 0.000 2.749 472 T HA 0.474 4.826 4.350 0.005 0.000 0.295 472 T C -2.485 171.981 174.700 -0.390 0.000 0.936 472 T CA -0.681 61.295 62.100 -0.206 0.000 1.060 472 T CB 0.638 69.378 68.868 -0.213 0.000 0.904 472 T HN 0.433 nan 8.240 nan 0.000 0.500 473 P HA 0.037 nan 4.420 nan 0.000 0.269 473 P C -0.804 176.267 177.300 -0.382 0.000 1.217 473 P CA -0.268 62.686 63.100 -0.243 0.000 0.783 473 P CB 0.406 32.066 31.700 -0.066 0.000 0.898 474 W N 1.771 122.963 121.300 -0.179 0.000 2.433 474 W HA 0.283 4.946 4.660 0.005 0.000 0.331 474 W C 0.873 177.222 176.519 -0.282 0.000 1.110 474 W CA -0.205 56.985 57.345 -0.259 0.000 1.450 474 W CB -0.215 29.027 29.460 -0.364 0.000 1.348 474 W HN 0.282 nan 8.180 nan 0.000 0.415 475 S N 0.916 116.573 115.700 -0.071 0.000 2.569 475 S HA -0.091 4.381 4.470 0.005 0.000 0.274 475 S C 1.292 175.833 174.600 -0.099 0.000 1.353 475 S CA -0.036 58.098 58.200 -0.110 0.000 1.023 475 S CB 1.280 64.421 63.200 -0.098 0.000 0.876 475 S HN 0.558 nan 8.310 nan 0.000 0.540 476 E N 1.314 121.451 120.200 -0.104 0.000 2.204 476 E HA -0.046 4.307 4.350 0.005 0.000 0.194 476 E C 1.784 178.338 176.600 -0.077 0.000 0.989 476 E CA 1.828 58.175 56.400 -0.088 0.000 0.824 476 E CB -0.857 28.801 29.700 -0.070 0.000 0.756 476 E HN 0.819 nan 8.360 nan 0.000 0.477 477 T N 0.878 115.389 114.554 -0.071 0.000 2.777 477 T HA -0.111 4.241 4.350 0.005 0.000 0.266 477 T C 1.022 175.667 174.700 -0.090 0.000 1.040 477 T CA 1.301 63.361 62.100 -0.067 0.000 1.141 477 T CB -0.337 68.499 68.868 -0.055 0.000 0.868 477 T HN 0.213 nan 8.240 nan 0.000 0.444 478 D N 1.611 121.951 120.400 -0.100 0.000 2.087 478 D HA -0.040 4.603 4.640 0.005 0.000 0.192 478 D C 2.132 178.318 176.300 -0.190 0.000 0.993 478 D CA 0.861 54.774 54.000 -0.146 0.000 0.828 478 D CB -0.713 40.047 40.800 -0.066 0.000 0.968 478 D HN 0.263 nan 8.370 nan 0.000 0.448 479 L N 0.494 121.623 121.223 -0.156 0.000 2.187 479 L HA -0.166 4.177 4.340 0.005 0.000 0.213 479 L C 2.319 179.122 176.870 -0.111 0.000 1.100 479 L CA 1.020 55.763 54.840 -0.161 0.000 0.765 479 L CB -0.287 41.680 42.059 -0.154 0.000 0.904 479 L HN 0.008 nan 8.230 nan 0.000 0.437 480 A N -0.463 122.301 122.820 -0.094 0.000 2.021 480 A HA -0.014 4.308 4.320 0.005 0.000 0.216 480 A C 2.138 179.683 177.584 -0.065 0.000 1.163 480 A CA 0.794 52.792 52.037 -0.065 0.000 0.676 480 A CB -0.301 18.667 19.000 -0.053 0.000 0.818 480 A HN 0.338 nan 8.150 nan 0.000 0.453 481 I N -0.410 120.104 120.570 -0.094 0.000 2.277 481 I HA -0.146 4.027 4.170 0.005 0.000 0.243 481 I C 2.855 178.928 176.117 -0.072 0.000 1.094 481 I CA 0.914 62.162 61.300 -0.087 0.000 1.393 481 I CB -0.224 37.701 38.000 -0.126 0.000 1.078 481 I HN 0.290 nan 8.210 nan 0.000 0.417 482 A N -0.109 122.629 122.820 -0.136 0.000 2.076 482 A HA -0.208 4.115 4.320 0.005 0.000 0.220 482 A C 2.216 179.806 177.584 0.009 0.000 1.160 482 A CA 1.573 53.583 52.037 -0.044 0.000 0.653 482 A CB -0.357 18.549 19.000 -0.157 0.000 0.801 482 A HN 0.321 nan 8.150 nan 0.000 0.455 483 E N -0.357 119.828 120.200 -0.025 0.000 2.385 483 E HA 0.026 4.379 4.350 0.005 0.000 0.194 483 E C 1.606 178.202 176.600 -0.007 0.000 1.013 483 E CA 0.533 56.925 56.400 -0.012 0.000 0.866 483 E CB 0.051 29.739 29.700 -0.020 0.000 0.832 483 E HN 0.673 nan 8.360 nan 0.000 0.500 484 K N -0.124 120.271 120.400 -0.009 0.000 2.202 484 K HA 0.143 4.466 4.320 0.005 0.000 0.201 484 K C 2.175 178.774 176.600 -0.002 0.000 1.051 484 K CA -0.047 56.236 56.287 -0.007 0.000 0.977 484 K CB 0.265 32.758 32.500 -0.012 0.000 0.792 484 K HN 0.061 nan 8.250 nan 0.000 0.469 485 L N 1.432 122.663 121.223 0.014 0.000 2.012 485 L HA -0.208 4.134 4.340 0.005 0.000 0.210 485 L C 2.719 179.569 176.870 -0.034 0.000 1.073 485 L CA 1.480 56.324 54.840 0.007 0.000 0.748 485 L CB -0.297 41.816 42.059 0.090 0.000 0.891 485 L HN 0.215 nan 8.230 nan 0.000 0.431 486 R N -0.206 120.292 120.500 -0.003 0.000 2.105 486 R HA -0.224 4.119 4.340 0.005 0.000 0.239 486 R C 2.198 178.511 176.300 0.022 0.000 1.135 486 R CA 1.525 57.631 56.100 0.010 0.000 0.967 486 R CB -0.186 30.126 30.300 0.020 0.000 0.861 486 R HN 0.278 nan 8.270 nan 0.000 0.442 487 L N 0.717 121.944 121.223 0.007 0.000 2.240 487 L HA -0.066 4.277 4.340 0.005 0.000 0.211 487 L C 1.996 178.870 176.870 0.007 0.000 1.106 487 L CA 1.423 56.268 54.840 0.007 0.000 0.793 487 L CB -0.221 41.837 42.059 -0.001 0.000 0.927 487 L HN 0.193 nan 8.230 nan 0.000 0.446 488 D N -0.945 119.451 120.400 -0.006 0.000 2.289 488 D HA -0.048 4.595 4.640 0.005 0.000 0.207 488 D C 2.102 178.394 176.300 -0.014 0.000 0.966 488 D CA 0.723 54.716 54.000 -0.013 0.000 0.868 488 D CB 0.483 41.269 40.800 -0.024 0.000 0.943 488 D HN 0.290 nan 8.370 nan 0.000 0.514 489 L N -0.177 121.030 121.223 -0.027 0.000 2.145 489 L HA 0.018 4.361 4.340 0.005 0.000 0.201 489 L C 2.699 179.670 176.870 0.168 0.000 1.075 489 L CA 0.263 55.096 54.840 -0.012 0.000 0.773 489 L CB -0.357 41.523 42.059 -0.298 0.000 0.936 489 L HN -0.054 nan 8.230 nan 0.000 0.451 490 M N -0.069 119.639 119.600 0.179 0.000 2.192 490 M HA -0.277 4.206 4.480 0.005 0.000 0.259 490 M C 2.099 178.460 176.300 0.102 0.000 1.071 490 M CA 1.655 57.046 55.300 0.152 0.000 1.082 490 M CB -0.348 32.293 32.600 0.068 0.000 1.373 490 M HN 0.205 nan 8.290 nan 0.000 0.408 491 E N 0.923 121.165 120.200 0.070 0.000 2.017 491 E HA -0.167 4.185 4.350 0.005 0.000 0.193 491 E C 1.630 178.267 176.600 0.062 0.000 0.997 491 E CA 1.532 57.959 56.400 0.045 0.000 0.804 491 E CB -0.272 29.443 29.700 0.026 0.000 0.757 491 E HN 0.276 nan 8.360 nan 0.000 0.448 492 L N 0.041 121.314 121.223 0.083 0.000 2.131 492 L HA -0.160 4.183 4.340 0.005 0.000 0.210 492 L C 2.412 179.392 176.870 0.182 0.000 1.092 492 L CA 1.224 56.127 54.840 0.104 0.000 0.759 492 L CB -0.753 41.359 42.059 0.088 0.000 0.903 492 L HN 0.355 nan 8.230 nan 0.000 0.435 493 C N -1.570 117.878 119.300 0.246 0.000 2.481 493 C HA 0.043 4.506 4.460 0.005 0.000 0.275 493 C C 2.570 177.578 174.990 0.029 0.000 1.419 493 C CA -0.208 59.048 59.018 0.397 0.000 1.773 493 C CB -0.737 27.308 27.740 0.507 0.000 1.862 493 C HN 0.401 nan 8.230 nan 0.000 0.530 494 L N 1.216 122.440 121.223 0.003 0.000 2.217 494 L HA 0.032 4.375 4.340 0.005 0.000 0.211 494 L C 1.583 178.359 176.870 -0.157 0.000 1.107 494 L CA 1.475 56.256 54.840 -0.098 0.000 0.783 494 L CB -0.287 41.749 42.059 -0.038 0.000 0.919 494 L HN 0.323 nan 8.230 nan 0.000 0.442 495 N N -1.466 117.183 118.700 -0.085 0.000 2.251 495 N HA 0.013 4.756 4.740 0.005 0.000 0.217 495 N C 0.787 176.298 175.510 0.001 0.000 1.124 495 N CA 0.120 53.144 53.050 -0.043 0.000 0.843 495 N CB -0.037 38.454 38.487 0.007 0.000 1.024 495 N HN 0.547 nan 8.380 nan 0.000 0.501 496 H N -1.525 117.571 119.070 0.043 0.000 2.553 496 H HA 0.452 5.011 4.556 0.005 0.000 0.269 496 H C 1.110 176.456 175.328 0.030 0.000 1.011 496 H CA -0.024 56.045 56.048 0.035 0.000 1.150 496 H CB -0.156 29.626 29.762 0.033 0.000 1.339 496 H HN 0.056 nan 8.280 nan 0.000 0.604 497 A N 0.000 122.785 122.820 -0.058 0.000 2.254 497 A HA 0.000 4.323 4.320 0.005 0.000 0.244 497 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 497 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486