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 3kgf_1_A DATA FIRST_RESID 2 DATA SEQUENCE NWTVDIPIDX XXXXPPLPTD LRTRLDAALA KPAAQQPTWP ADQALAMRTV DATA SEQUENCE LESVPPVTVP SEIVRLQEQL AQVAKGEAFL LQGGDCAETF MDNTEPHIRG DATA SEQUENCE NVRALLQMAV VLTYGASMPV VKVARIAGQY AKPRSADIDA LGLRSYRGDM DATA SEQUENCE INGFAPDAAA REHDPSRLVR AYANASAAMN LVRALTSSGL ASLHLVHDWN DATA SEQUENCE REFVRTSPAG ARYEALATEI DRGLRFMSAC GVADRNLQTA EIYASHEALV DATA SEQUENCE LDYERAMLRL SDGXXXXPQL FDLSAHTVWI GERTRQIDGA HIAFAQVIAN DATA SEQUENCE PVGVKLGPNM TPELAVEYVE RLDPHNKPGR LTLVSRMGNH KVRDLLPPIV DATA SEQUENCE EKVQATGHQV IWQCDPMHGN THESSTGFKT RHFDRIVDEV QGFFEVHRAL DATA SEQUENCE GTHPGGIHVE ITGENVTECL GGAQDISETD LAGRYETACD PRLNTQQSLE DATA SEQUENCE LAFLVAEMLR D 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.519 175.510 0.016 0.000 1.280 2 N CA 0.000 53.058 53.050 0.014 0.000 0.885 2 N CB 0.000 38.497 38.487 0.016 0.000 1.341 3 W N 0.108 121.416 121.300 0.013 0.000 5.361 3 W HA -0.107 4.553 4.660 -0.000 0.000 0.385 3 W C 0.234 176.763 176.519 0.016 0.000 1.458 3 W CA 0.473 57.827 57.345 0.014 0.000 0.922 3 W CB -2.918 26.551 29.460 0.015 0.000 2.606 3 W HN 0.977 nan 8.180 nan 0.000 1.450 4 T N -2.370 112.193 114.554 0.014 0.000 2.901 4 T HA 0.871 5.221 4.350 -0.000 0.000 0.293 4 T C -0.114 174.590 174.700 0.008 0.000 1.084 4 T CA -0.034 62.075 62.100 0.014 0.000 1.008 4 T CB 1.616 70.496 68.868 0.020 0.000 1.170 4 T HN 2.185 nan 8.240 nan 0.000 0.509 5 V N -1.267 118.649 119.914 0.004 0.000 2.760 5 V HA 0.706 4.826 4.120 -0.000 0.000 0.309 5 V C -1.537 174.554 176.094 -0.005 0.000 1.077 5 V CA -0.951 61.349 62.300 -0.001 0.000 0.910 5 V CB 1.989 33.809 31.823 -0.005 0.000 1.008 5 V HN 0.939 nan 8.190 nan 0.000 0.424 6 D N 4.525 124.921 120.400 -0.005 0.000 2.175 6 D HA 0.577 5.217 4.640 -0.000 0.000 0.248 6 D C -0.492 175.800 176.300 -0.013 0.000 1.047 6 D CA -0.083 53.911 54.000 -0.008 0.000 0.883 6 D CB 2.132 42.928 40.800 -0.005 0.000 1.180 6 D HN 0.517 nan 8.370 nan 0.000 0.438 7 I N 3.331 123.890 120.570 -0.019 0.000 2.420 7 I HA 0.207 4.377 4.170 -0.000 0.000 0.282 7 I C -2.017 174.087 176.117 -0.021 0.000 1.019 7 I CA -1.973 59.314 61.300 -0.020 0.000 1.130 7 I CB 0.673 38.657 38.000 -0.027 0.000 1.262 7 I HN 0.014 nan 8.210 nan 0.000 0.454 8 P HA 0.308 nan 4.420 nan 0.000 0.268 8 P C -0.540 176.747 177.300 -0.022 0.000 1.208 8 P CA -0.084 63.004 63.100 -0.019 0.000 0.777 8 P CB 1.209 32.900 31.700 -0.016 0.000 0.875 9 I N 1.391 121.945 120.570 -0.026 0.000 2.441 9 I HA 0.186 4.356 4.170 -0.000 0.000 0.295 9 I C 0.798 176.897 176.117 -0.029 0.000 0.994 9 I CA -0.552 60.730 61.300 -0.031 0.000 1.144 9 I CB 1.349 39.325 38.000 -0.041 0.000 1.314 9 I HN 0.352 nan 8.210 nan 0.000 0.445 17 P HA 0.323 nan 4.420 nan 0.000 0.274 17 P C -0.286 177.013 177.300 -0.002 0.000 1.256 17 P CA -0.538 62.558 63.100 -0.006 0.000 0.795 17 P CB 0.691 32.389 31.700 -0.004 0.000 1.038 18 L N 0.630 121.853 121.223 0.000 0.000 2.479 18 L HA 0.141 4.481 4.340 -0.000 0.000 0.270 18 L C -1.841 175.031 176.870 0.003 0.000 1.236 18 L CA -1.666 53.176 54.840 0.004 0.000 0.823 18 L CB -0.650 41.413 42.059 0.007 0.000 1.098 18 L HN 0.309 nan 8.230 nan 0.000 0.500 19 P HA 0.024 nan 4.420 nan 0.000 0.269 19 P C 0.458 177.759 177.300 0.001 0.000 1.209 19 P CA -0.053 63.049 63.100 0.002 0.000 0.776 19 P CB 0.503 32.204 31.700 0.003 0.000 0.876 20 T N 0.697 115.251 114.554 0.001 0.000 2.720 20 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 20 T C 1.253 175.953 174.700 0.000 0.000 1.037 20 T CA 2.080 64.181 62.100 0.001 0.000 1.144 20 T CB -0.809 68.059 68.868 0.001 0.000 0.864 20 T HN 0.639 nan 8.240 nan 0.000 0.444 21 D N 1.529 121.928 120.400 -0.001 0.000 2.097 21 D HA -0.086 4.554 4.640 -0.000 0.000 0.195 21 D C 2.125 178.422 176.300 -0.005 0.000 0.989 21 D CA 0.770 54.769 54.000 -0.003 0.000 0.827 21 D CB -0.976 39.822 40.800 -0.003 0.000 0.966 21 D HN 0.289 nan 8.370 nan 0.000 0.456 22 L N 0.379 121.598 121.223 -0.007 0.000 2.012 22 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 22 L C 2.623 179.488 176.870 -0.008 0.000 1.073 22 L CA 1.691 56.524 54.840 -0.012 0.000 0.748 22 L CB -0.434 41.619 42.059 -0.011 0.000 0.891 22 L HN -0.122 nan 8.230 nan 0.000 0.431 23 R N -1.552 118.947 120.500 -0.001 0.000 2.120 23 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 23 R C 2.064 178.367 176.300 0.006 0.000 1.123 23 R CA 1.717 57.820 56.100 0.005 0.000 0.975 23 R CB -0.540 29.764 30.300 0.006 0.000 0.866 23 R HN 0.419 nan 8.270 nan 0.000 0.446 24 T N 0.456 115.012 114.554 0.003 0.000 2.708 24 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 24 T C 1.729 176.431 174.700 0.003 0.000 1.037 24 T CA 1.308 63.410 62.100 0.004 0.000 1.146 24 T CB -0.120 68.749 68.868 0.002 0.000 0.865 24 T HN 0.299 nan 8.240 nan 0.000 0.435 25 R N 0.269 120.768 120.500 -0.002 0.000 2.096 25 R HA 0.028 4.368 4.340 -0.000 0.000 0.235 25 R C 2.416 178.714 176.300 -0.003 0.000 1.127 25 R CA 0.933 57.030 56.100 -0.006 0.000 0.968 25 R CB -0.548 29.743 30.300 -0.016 0.000 0.861 25 R HN 0.240 nan 8.270 nan 0.000 0.440 26 L N 1.292 122.515 121.223 -0.000 0.000 2.093 26 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 26 L C 1.281 178.172 176.870 0.035 0.000 1.085 26 L CA 1.883 56.733 54.840 0.018 0.000 0.755 26 L CB -0.294 41.779 42.059 0.025 0.000 0.904 26 L HN 0.010 nan 8.230 nan 0.000 0.435 27 D N -0.053 120.363 120.400 0.026 0.000 2.144 27 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 27 D C 2.216 178.530 176.300 0.023 0.000 0.984 27 D CA 1.438 55.453 54.000 0.026 0.000 0.834 27 D CB -0.165 40.646 40.800 0.019 0.000 0.955 27 D HN 0.491 nan 8.370 nan 0.000 0.465 28 A N 0.986 123.817 122.820 0.017 0.000 1.902 28 A HA -0.034 4.285 4.320 -0.000 0.000 0.217 28 A C 2.308 179.905 177.584 0.020 0.000 1.181 28 A CA 2.156 54.202 52.037 0.015 0.000 0.623 28 A CB -0.703 18.302 19.000 0.010 0.000 0.818 28 A HN 0.231 nan 8.150 nan 0.000 0.443 29 A N -0.310 122.525 122.820 0.025 0.000 1.902 29 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 29 A C 2.012 179.622 177.584 0.044 0.000 1.181 29 A CA 1.451 53.509 52.037 0.035 0.000 0.623 29 A CB -0.555 18.468 19.000 0.039 0.000 0.818 29 A HN 0.461 nan 8.150 nan 0.000 0.443 30 L N -0.663 120.589 121.223 0.048 0.000 2.610 30 L HA 0.007 4.347 4.340 -0.000 0.000 0.232 30 L C 2.613 179.495 176.870 0.019 0.000 1.149 30 L CA 0.421 55.282 54.840 0.035 0.000 0.872 30 L CB -0.306 41.782 42.059 0.047 0.000 0.992 30 L HN 0.439 nan 8.230 nan 0.000 0.447 31 A N -0.127 122.706 122.820 0.021 0.000 2.119 31 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 31 A C 1.105 178.699 177.584 0.017 0.000 1.153 31 A CA 0.504 52.551 52.037 0.017 0.000 0.692 31 A CB -0.211 18.799 19.000 0.017 0.000 0.799 31 A HN 0.256 nan 8.150 nan 0.000 0.458 32 K N 1.111 121.523 120.400 0.020 0.000 2.355 32 K HA 0.243 4.563 4.320 -0.000 0.000 0.270 32 K C -2.493 174.119 176.600 0.020 0.000 1.003 32 K CA -1.681 54.620 56.287 0.023 0.000 0.957 32 K CB 0.225 32.745 32.500 0.033 0.000 0.939 32 K HN 0.156 nan 8.250 nan 0.000 0.482 33 P HA 0.017 nan 4.420 nan 0.000 0.268 33 P C -1.392 175.935 177.300 0.045 0.000 1.205 33 P CA -0.173 62.945 63.100 0.029 0.000 0.771 33 P CB 0.916 32.634 31.700 0.031 0.000 0.858 34 A N 2.684 125.527 122.820 0.039 0.000 2.304 34 A HA 0.659 4.979 4.320 -0.000 0.000 0.314 34 A C 0.102 177.755 177.584 0.115 0.000 1.187 34 A CA -0.701 51.383 52.037 0.077 0.000 0.810 34 A CB 0.928 19.902 19.000 -0.043 0.000 1.183 34 A HN 0.610 nan 8.150 nan 0.000 0.487 35 A N 2.022 124.943 122.820 0.168 0.000 2.304 35 A HA 0.569 4.889 4.320 -0.000 0.000 0.271 35 A C 0.626 178.244 177.584 0.057 0.000 1.091 35 A CA -0.153 51.926 52.037 0.070 0.000 0.812 35 A CB 0.061 19.072 19.000 0.018 0.000 1.056 35 A HN 1.211 nan 8.150 nan 0.000 0.489 36 Q N -1.075 118.724 119.800 -0.002 0.000 2.494 36 Q HA -0.145 4.195 4.340 -0.000 0.000 0.272 36 Q C -0.511 175.460 176.000 -0.049 0.000 1.145 36 Q CA 0.961 56.742 55.803 -0.036 0.000 0.943 36 Q CB -1.561 27.134 28.738 -0.070 0.000 1.338 36 Q HN 0.813 nan 8.270 nan 0.000 0.492 37 Q N 0.333 120.105 119.800 -0.047 0.000 2.230 37 Q HA 0.477 4.817 4.340 -0.000 0.000 0.248 37 Q C -1.892 173.981 176.000 -0.212 0.000 0.915 37 Q CA -1.826 53.911 55.803 -0.111 0.000 0.900 37 Q CB 0.395 29.086 28.738 -0.079 0.000 1.229 37 Q HN 0.037 nan 8.270 nan 0.000 0.439 38 P HA 0.011 nan 4.420 nan 0.000 0.268 38 P C 0.306 177.313 177.300 -0.488 0.000 1.208 38 P CA 0.127 62.849 63.100 -0.631 0.000 0.777 38 P CB 0.363 30.999 31.700 -1.774 0.000 0.875 39 T N -2.874 111.574 114.554 -0.178 0.000 3.223 39 T HA 0.187 4.536 4.350 -0.000 0.000 0.259 39 T C 0.110 174.786 174.700 -0.041 0.000 1.015 39 T CA -0.716 61.285 62.100 -0.165 0.000 0.908 39 T CB -0.934 67.802 68.868 -0.220 0.000 1.054 39 T HN 0.385 nan 8.240 nan 0.000 0.567 40 W N 1.641 123.006 121.300 0.109 0.000 2.093 40 W HA 0.616 5.276 4.660 -0.000 0.000 0.352 40 W C -2.817 173.726 176.519 0.040 0.000 1.294 40 W CA -3.312 54.076 57.345 0.073 0.000 1.290 40 W CB -1.160 28.353 29.460 0.089 0.000 1.149 40 W HN -0.081 nan 8.180 nan 0.000 0.606 41 P HA 0.222 nan 4.420 nan 0.000 0.271 41 P C 0.593 178.003 177.300 0.184 0.000 1.216 41 P CA 0.162 63.375 63.100 0.189 0.000 0.776 41 P CB 0.974 32.740 31.700 0.111 0.000 0.881 42 A N 3.234 126.137 122.820 0.139 0.000 1.933 42 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 42 A C 1.811 179.431 177.584 0.060 0.000 1.175 42 A CA 1.933 54.039 52.037 0.114 0.000 0.628 42 A CB -1.133 17.916 19.000 0.082 0.000 0.814 42 A HN 0.688 nan 8.150 nan 0.000 0.444 43 D N -0.238 120.186 120.400 0.040 0.000 2.117 43 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 43 D C 1.810 178.101 176.300 -0.015 0.000 0.987 43 D CA 1.718 55.725 54.000 0.012 0.000 0.829 43 D CB -0.832 39.975 40.800 0.012 0.000 0.961 43 D HN 0.633 nan 8.370 nan 0.000 0.460 44 Q N 0.474 120.261 119.800 -0.022 0.000 2.050 44 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 44 Q C 2.517 178.419 176.000 -0.164 0.000 0.980 44 Q CA 1.639 57.392 55.803 -0.083 0.000 0.840 44 Q CB -0.276 28.415 28.738 -0.078 0.000 0.898 44 Q HN 0.436 nan 8.270 nan 0.000 0.424 45 A N 1.145 123.865 122.820 -0.166 0.000 1.908 45 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 45 A C 2.077 179.606 177.584 -0.092 0.000 1.181 45 A CA 1.394 53.310 52.037 -0.202 0.000 0.627 45 A CB -0.700 18.320 19.000 0.034 0.000 0.818 45 A HN 0.360 nan 8.150 nan 0.000 0.445 46 L N -0.179 121.022 121.223 -0.037 0.000 2.046 46 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 46 L C 2.630 179.471 176.870 -0.048 0.000 1.077 46 L CA 2.321 57.146 54.840 -0.025 0.000 0.747 46 L CB -0.993 41.062 42.059 -0.007 0.000 0.896 46 L HN 0.346 nan 8.230 nan 0.000 0.432 47 A N -0.724 122.059 122.820 -0.061 0.000 1.902 47 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 47 A C 2.194 179.728 177.584 -0.083 0.000 1.181 47 A CA 2.184 54.182 52.037 -0.065 0.000 0.623 47 A CB -0.521 18.440 19.000 -0.064 0.000 0.818 47 A HN 0.501 nan 8.150 nan 0.000 0.443 48 M N -0.697 118.833 119.600 -0.116 0.000 2.132 48 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 48 M C 2.171 178.413 176.300 -0.097 0.000 1.065 48 M CA 1.287 56.511 55.300 -0.126 0.000 1.122 48 M CB -1.212 31.267 32.600 -0.202 0.000 1.365 48 M HN 0.408 nan 8.290 nan 0.000 0.411 49 R N -0.466 119.986 120.500 -0.081 0.000 2.105 49 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 49 R C 2.173 178.431 176.300 -0.070 0.000 1.135 49 R CA 1.837 57.901 56.100 -0.060 0.000 0.967 49 R CB -0.674 29.609 30.300 -0.029 0.000 0.861 49 R HN 0.388 nan 8.270 nan 0.000 0.442 50 T N 0.796 115.312 114.554 -0.063 0.000 2.746 50 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 50 T C 2.031 176.684 174.700 -0.078 0.000 1.039 50 T CA 1.306 63.369 62.100 -0.060 0.000 1.142 50 T CB -0.202 68.638 68.868 -0.047 0.000 0.866 50 T HN -0.005 nan 8.240 nan 0.000 0.444 51 V N 1.743 121.604 119.914 -0.088 0.000 2.255 51 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 51 V C 2.512 178.510 176.094 -0.160 0.000 1.051 51 V CA 1.652 63.888 62.300 -0.106 0.000 1.018 51 V CB -0.735 31.030 31.823 -0.097 0.000 0.641 51 V HN 0.452 nan 8.190 nan 0.000 0.445 52 L N -0.454 120.661 121.223 -0.180 0.000 2.201 52 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 52 L C 2.497 179.225 176.870 -0.237 0.000 1.105 52 L CA 1.355 56.031 54.840 -0.274 0.000 0.775 52 L CB -0.651 41.266 42.059 -0.236 0.000 0.913 52 L HN 0.427 nan 8.230 nan 0.000 0.440 53 E N -0.168 119.942 120.200 -0.150 0.000 2.265 53 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 53 E C 1.795 178.330 176.600 -0.107 0.000 0.996 53 E CA 1.403 57.738 56.400 -0.109 0.000 0.832 53 E CB 0.080 29.738 29.700 -0.069 0.000 0.756 53 E HN 0.499 nan 8.360 nan 0.000 0.491 54 S N -0.608 115.016 115.700 -0.127 0.000 2.603 54 S HA 0.110 4.580 4.470 -0.000 0.000 0.232 54 S C 0.626 175.150 174.600 -0.128 0.000 1.016 54 S CA -0.458 57.680 58.200 -0.103 0.000 0.976 54 S CB -0.076 63.079 63.200 -0.075 0.000 0.921 54 S HN 0.077 nan 8.310 nan 0.000 0.516 55 V N -0.385 119.394 119.914 -0.224 0.000 3.003 55 V HA 0.560 4.680 4.120 -0.000 0.000 0.305 55 V C -2.827 173.185 176.094 -0.136 0.000 1.078 55 V CA -2.255 59.886 62.300 -0.266 0.000 1.083 55 V CB -0.515 30.862 31.823 -0.745 0.000 1.039 55 V HN 0.010 nan 8.190 nan 0.000 0.481 56 P HA 0.234 nan 4.420 nan 0.000 0.265 56 P C -2.476 174.905 177.300 0.136 0.000 1.193 56 P CA -0.594 62.550 63.100 0.072 0.000 0.765 56 P CB -0.260 31.508 31.700 0.113 0.000 0.823 57 P HA 0.009 nan 4.420 nan 0.000 0.274 57 P C 0.549 177.928 177.300 0.133 0.000 1.237 57 P CA -0.109 63.051 63.100 0.099 0.000 0.793 57 P CB 0.892 32.613 31.700 0.034 0.000 0.977 58 V N 0.080 120.074 119.914 0.133 0.000 2.488 58 V HA -0.034 4.086 4.120 -0.000 0.000 0.246 58 V C 1.523 177.612 176.094 -0.009 0.000 1.046 58 V CA 2.254 64.598 62.300 0.073 0.000 1.053 58 V CB -0.926 30.952 31.823 0.092 0.000 0.679 58 V HN 0.815 nan 8.190 nan 0.000 0.458 59 T N -1.451 113.073 114.554 -0.050 0.000 2.907 59 T HA 0.727 5.077 4.350 -0.000 0.000 0.290 59 T C -0.769 173.906 174.700 -0.041 0.000 1.066 59 T CA -0.281 61.751 62.100 -0.114 0.000 1.012 59 T CB 2.129 70.771 68.868 -0.376 0.000 1.184 59 T HN 0.277 nan 8.240 nan 0.000 0.522 60 V N -1.696 118.207 119.914 -0.017 0.000 2.864 60 V HA 0.630 4.750 4.120 -0.000 0.000 0.314 60 V C -2.372 173.634 176.094 -0.147 0.000 1.073 60 V CA -2.634 59.628 62.300 -0.064 0.000 0.956 60 V CB 1.420 33.221 31.823 -0.037 0.000 1.023 60 V HN 0.615 nan 8.190 nan 0.000 0.435 61 P HA -0.139 nan 4.420 nan 0.000 0.216 61 P C 1.932 178.992 177.300 -0.400 0.000 1.150 61 P CA 2.320 64.971 63.100 -0.747 0.000 0.837 61 P CB 0.096 31.215 31.700 -0.967 0.000 0.786 62 S N -0.578 115.009 115.700 -0.187 0.000 2.402 62 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 62 S C 1.850 176.453 174.600 0.004 0.000 1.021 62 S CA 1.032 59.189 58.200 -0.071 0.000 0.974 62 S CB -1.102 62.075 63.200 -0.038 0.000 0.800 62 S HN 0.216 nan 8.310 nan 0.000 0.484 63 E N 1.147 121.376 120.200 0.048 0.000 2.077 63 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 63 E C 1.987 178.715 176.600 0.214 0.000 0.989 63 E CA 1.546 58.045 56.400 0.166 0.000 0.800 63 E CB -0.379 29.494 29.700 0.289 0.000 0.746 63 E HN 0.622 nan 8.360 nan 0.000 0.452 64 I N 0.519 121.195 120.570 0.178 0.000 2.353 64 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 64 I C 2.320 178.525 176.117 0.146 0.000 1.119 64 I CA 0.547 61.966 61.300 0.198 0.000 1.417 64 I CB -0.129 38.023 38.000 0.253 0.000 1.078 64 I HN -0.027 nan 8.210 nan 0.000 0.421 65 V N 1.010 120.992 119.914 0.113 0.000 2.343 65 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 65 V C 2.665 178.795 176.094 0.061 0.000 1.051 65 V CA 2.000 64.366 62.300 0.110 0.000 1.036 65 V CB -0.761 31.115 31.823 0.088 0.000 0.654 65 V HN 0.416 nan 8.190 nan 0.000 0.451 66 R N -0.321 120.214 120.500 0.058 0.000 2.081 66 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 66 R C 2.285 178.584 176.300 -0.001 0.000 1.131 66 R CA 1.824 57.956 56.100 0.052 0.000 0.960 66 R CB -0.383 29.974 30.300 0.095 0.000 0.856 66 R HN 0.435 nan 8.270 nan 0.000 0.436 67 L N 1.221 122.397 121.223 -0.078 0.000 2.046 67 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 67 L C 2.360 179.120 176.870 -0.185 0.000 1.077 67 L CA 2.007 56.638 54.840 -0.348 0.000 0.747 67 L CB -0.721 40.979 42.059 -0.599 0.000 0.896 67 L HN 0.235 nan 8.230 nan 0.000 0.432 68 Q N 0.126 119.884 119.800 -0.071 0.000 2.096 68 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 68 Q C 2.062 178.041 176.000 -0.034 0.000 0.982 68 Q CA 2.274 58.057 55.803 -0.034 0.000 0.850 68 Q CB -0.250 28.502 28.738 0.023 0.000 0.901 68 Q HN 0.673 nan 8.270 nan 0.000 0.422 69 E N -0.336 119.853 120.200 -0.020 0.000 2.085 69 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 69 E C 2.176 178.760 176.600 -0.026 0.000 0.994 69 E CA 1.480 57.872 56.400 -0.014 0.000 0.801 69 E CB -0.090 29.611 29.700 0.002 0.000 0.743 69 E HN 0.526 nan 8.360 nan 0.000 0.453 70 Q N 0.185 119.959 119.800 -0.044 0.000 2.123 70 Q HA -0.073 4.267 4.340 -0.000 0.000 0.199 70 Q C 2.300 178.266 176.000 -0.057 0.000 0.966 70 Q CA 0.794 56.571 55.803 -0.044 0.000 0.845 70 Q CB 0.024 28.732 28.738 -0.051 0.000 0.907 70 Q HN 0.305 nan 8.270 nan 0.000 0.439 71 L N 0.149 121.320 121.223 -0.087 0.000 2.141 71 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 71 L C 2.482 179.321 176.870 -0.051 0.000 1.094 71 L CA 0.660 55.453 54.840 -0.078 0.000 0.763 71 L CB -0.581 41.419 42.059 -0.099 0.000 0.908 71 L HN 0.207 nan 8.230 nan 0.000 0.437 72 A N -0.439 122.356 122.820 -0.042 0.000 1.940 72 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 72 A C 2.271 179.837 177.584 -0.031 0.000 1.176 72 A CA 1.416 53.433 52.037 -0.032 0.000 0.631 72 A CB -0.338 18.648 19.000 -0.024 0.000 0.814 72 A HN 0.371 nan 8.150 nan 0.000 0.446 73 Q N -0.322 119.462 119.800 -0.027 0.000 2.119 73 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 73 Q C 2.357 178.339 176.000 -0.030 0.000 0.972 73 Q CA 1.507 57.294 55.803 -0.027 0.000 0.847 73 Q CB -0.875 27.855 28.738 -0.013 0.000 0.903 73 Q HN 0.506 nan 8.270 nan 0.000 0.433 74 V N 1.364 121.275 119.914 -0.005 0.000 2.287 74 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 74 V C 2.412 178.534 176.094 0.047 0.000 1.053 74 V CA 1.887 64.214 62.300 0.045 0.000 1.027 74 V CB -1.238 30.599 31.823 0.024 0.000 0.646 74 V HN 0.327 nan 8.190 nan 0.000 0.447 75 A N -0.221 122.600 122.820 0.003 0.000 1.940 75 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 75 A C 2.157 179.730 177.584 -0.018 0.000 1.176 75 A CA 1.939 53.976 52.037 0.001 0.000 0.631 75 A CB -0.455 18.525 19.000 -0.035 0.000 0.814 75 A HN 0.585 nan 8.150 nan 0.000 0.446 76 K N -1.268 119.093 120.400 -0.064 0.000 2.487 76 K HA 0.229 4.548 4.320 -0.000 0.000 0.192 76 K C 0.967 177.446 176.600 -0.201 0.000 1.027 76 K CA 0.438 56.671 56.287 -0.090 0.000 1.054 76 K CB -0.150 32.312 32.500 -0.064 0.000 0.824 76 K HN 0.676 nan 8.250 nan 0.000 0.510 77 G N 1.623 110.157 108.800 -0.443 0.000 2.143 77 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 77 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 77 G C 0.368 174.977 174.900 -0.484 0.000 0.991 77 G CA 0.165 44.690 45.100 -0.959 0.000 0.689 77 G HN 0.322 nan 8.290 nan 0.000 0.522 78 E N -0.624 119.436 120.200 -0.234 0.000 2.498 78 E HA 0.560 4.910 4.350 -0.000 0.000 0.203 78 E C 0.986 177.587 176.600 0.003 0.000 1.013 78 E CA 0.896 57.247 56.400 -0.082 0.000 0.927 78 E CB 0.928 30.594 29.700 -0.056 0.000 1.012 78 E HN 1.264 nan 8.360 nan 0.000 0.482 79 A N 0.463 123.318 122.820 0.058 0.000 2.599 79 A HA 0.676 4.996 4.320 -0.000 0.000 0.290 79 A C -1.864 175.917 177.584 0.328 0.000 1.101 79 A CA -0.696 51.433 52.037 0.153 0.000 0.674 79 A CB 1.190 20.243 19.000 0.088 0.000 1.277 79 A HN 0.053 nan 8.150 nan 0.000 0.419 80 F N 0.137 120.158 119.950 0.120 0.000 2.551 80 F HA 0.683 5.210 4.527 -0.000 0.000 0.316 80 F C -1.016 174.817 175.800 0.054 0.000 1.089 80 F CA -0.999 57.068 58.000 0.113 0.000 0.915 80 F CB 1.943 41.005 39.000 0.103 0.000 1.186 80 F HN 0.552 nan 8.300 nan 0.000 0.456 81 L N 7.036 127.982 121.223 -0.461 0.000 2.272 81 L HA 0.587 4.927 4.340 -0.000 0.000 0.289 81 L C -1.721 174.946 176.870 -0.337 0.000 1.032 81 L CA -0.593 54.061 54.840 -0.310 0.000 0.810 81 L CB 1.107 42.993 42.059 -0.288 0.000 1.205 81 L HN 0.616 nan 8.230 nan 0.000 0.422 82 L N 5.178 126.346 121.223 -0.092 0.000 2.298 82 L HA 0.569 4.909 4.340 -0.000 0.000 0.284 82 L C -0.818 176.002 176.870 -0.083 0.000 1.013 82 L CA 0.113 54.934 54.840 -0.030 0.000 0.824 82 L CB 1.342 43.455 42.059 0.089 0.000 1.221 82 L HN 0.819 nan 8.230 nan 0.000 0.418 83 Q N 3.374 123.078 119.800 -0.161 0.000 2.321 83 Q HA 0.803 5.143 4.340 -0.000 0.000 0.270 83 Q C -1.003 174.863 176.000 -0.224 0.000 1.032 83 Q CA -0.640 55.001 55.803 -0.270 0.000 0.784 83 Q CB 1.998 30.393 28.738 -0.571 0.000 1.264 83 Q HN 0.948 nan 8.270 nan 0.000 0.448 84 G N 1.003 109.727 108.800 -0.126 0.000 2.702 84 G HA2 0.724 4.684 3.960 -0.000 0.000 0.296 84 G HA3 0.724 4.684 3.960 -0.000 0.000 0.296 84 G C -1.027 173.880 174.900 0.011 0.000 1.463 84 G CA 0.004 45.087 45.100 -0.027 0.000 0.890 84 G HN 0.897 nan 8.290 nan 0.000 0.534 85 G N 0.042 108.867 108.800 0.040 0.000 2.327 85 G HA2 0.424 4.384 3.960 -0.000 0.000 0.291 85 G HA3 0.424 4.384 3.960 -0.000 0.000 0.291 85 G C -1.653 173.282 174.900 0.058 0.000 1.290 85 G CA -0.804 44.319 45.100 0.037 0.000 0.857 85 G HN 0.636 nan 8.290 nan 0.000 0.520 86 D N -0.372 120.061 120.400 0.055 0.000 2.472 86 D HA 0.159 4.799 4.640 -0.000 0.000 0.237 86 D C 1.630 177.982 176.300 0.086 0.000 1.141 86 D CA 0.355 54.395 54.000 0.066 0.000 0.875 86 D CB 1.523 42.373 40.800 0.082 0.000 1.192 86 D HN 0.607 nan 8.370 nan 0.000 0.450 87 C N 2.500 121.844 119.300 0.074 0.000 2.413 87 C HA 0.087 4.547 4.460 -0.000 0.000 0.276 87 C C 0.881 175.931 174.990 0.099 0.000 1.236 87 C CA 1.154 60.239 59.018 0.113 0.000 1.735 87 C CB -0.701 27.092 27.740 0.089 0.000 2.031 87 C HN 0.628 nan 8.230 nan 0.000 0.474 88 A N 0.493 123.340 122.820 0.045 0.000 2.353 88 A HA 0.621 4.940 4.320 -0.000 0.000 0.299 88 A C -0.767 176.790 177.584 -0.045 0.000 1.089 88 A CA -0.417 51.621 52.037 0.002 0.000 0.736 88 A CB 0.575 19.604 19.000 0.048 0.000 1.195 88 A HN 0.656 nan 8.150 nan 0.000 0.447 89 E N 1.321 121.425 120.200 -0.160 0.000 2.354 89 E HA 0.413 4.763 4.350 -0.000 0.000 0.269 89 E C 0.293 176.891 176.600 -0.003 0.000 1.036 89 E CA 0.020 56.314 56.400 -0.178 0.000 0.876 89 E CB 1.024 30.405 29.700 -0.533 0.000 1.009 89 E HN 0.703 nan 8.360 nan 0.000 0.416 90 T N -0.933 113.680 114.554 0.098 0.000 2.888 90 T HA 0.273 4.623 4.350 -0.000 0.000 0.284 90 T C 0.602 175.478 174.700 0.292 0.000 1.017 90 T CA -0.792 61.378 62.100 0.116 0.000 1.022 90 T CB 0.535 69.371 68.868 -0.053 0.000 1.013 90 T HN 0.202 nan 8.240 nan 0.000 0.465 91 F N 1.101 121.142 119.950 0.152 0.000 2.126 91 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 91 F C 2.367 178.181 175.800 0.024 0.000 1.096 91 F CA 0.875 58.891 58.000 0.027 0.000 1.255 91 F CB -0.985 37.964 39.000 -0.085 0.000 0.997 91 F HN 0.419 nan 8.300 nan 0.000 0.479 92 M N -0.654 119.052 119.600 0.176 0.000 2.492 92 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 92 M C 0.681 176.996 176.300 0.025 0.000 1.090 92 M CA 1.016 56.365 55.300 0.081 0.000 1.110 92 M CB -0.929 31.698 32.600 0.045 0.000 1.407 92 M HN 0.038 nan 8.290 nan 0.000 0.470 93 D N -0.581 119.816 120.400 -0.004 0.000 2.368 93 D HA 0.035 4.675 4.640 -0.000 0.000 0.218 93 D C 0.270 176.576 176.300 0.009 0.000 1.112 93 D CA 0.096 54.034 54.000 -0.104 0.000 0.834 93 D CB -0.277 40.327 40.800 -0.327 0.000 0.953 93 D HN 0.218 nan 8.370 nan 0.000 0.505 94 N N 1.659 120.434 118.700 0.124 0.000 3.303 94 N HA -0.009 4.730 4.740 -0.000 0.000 0.304 94 N C -0.556 175.031 175.510 0.128 0.000 1.302 94 N CA 0.047 53.209 53.050 0.188 0.000 1.213 94 N CB -0.115 38.532 38.487 0.267 0.000 1.481 94 N HN -0.032 nan 8.380 nan 0.000 0.546 95 T N -2.810 111.820 114.554 0.126 0.000 2.950 95 T HA 0.274 4.624 4.350 -0.000 0.000 0.288 95 T C 0.962 175.713 174.700 0.085 0.000 1.035 95 T CA -0.743 61.409 62.100 0.087 0.000 1.028 95 T CB 1.737 70.645 68.868 0.068 0.000 1.109 95 T HN 0.098 nan 8.240 nan 0.000 0.514 96 E N 0.670 120.902 120.200 0.052 0.000 2.051 96 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 96 E C -0.873 175.744 176.600 0.029 0.000 0.991 96 E CA 1.637 58.057 56.400 0.035 0.000 0.799 96 E CB -1.464 28.250 29.700 0.024 0.000 0.748 96 E HN 0.488 nan 8.360 nan 0.000 0.449 97 P HA -0.119 nan 4.420 nan 0.000 0.216 97 P C 1.196 178.514 177.300 0.030 0.000 1.150 97 P CA 1.657 64.769 63.100 0.021 0.000 0.837 97 P CB -0.225 31.491 31.700 0.026 0.000 0.786 98 H N -0.636 118.421 119.070 -0.023 0.000 2.363 98 H HA 0.018 4.574 4.556 -0.000 0.000 0.301 98 H C 1.826 177.140 175.328 -0.023 0.000 1.074 98 H CA 1.287 57.319 56.048 -0.027 0.000 1.354 98 H CB -0.897 28.855 29.762 -0.017 0.000 1.397 98 H HN -0.039 nan 8.280 nan 0.000 0.516 99 I N 0.010 120.542 120.570 -0.063 0.000 2.179 99 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 99 I C 2.782 178.833 176.117 -0.110 0.000 1.088 99 I CA 1.485 62.728 61.300 -0.095 0.000 1.357 99 I CB -0.360 37.641 38.000 0.002 0.000 1.051 99 I HN 0.242 nan 8.210 nan 0.000 0.409 100 R N 1.076 121.532 120.500 -0.072 0.000 2.083 100 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 100 R C 2.340 178.560 176.300 -0.133 0.000 1.137 100 R CA 1.891 57.948 56.100 -0.073 0.000 0.951 100 R CB -0.643 29.627 30.300 -0.050 0.000 0.851 100 R HN 0.448 nan 8.270 nan 0.000 0.434 101 G N 0.234 108.934 108.800 -0.168 0.000 2.418 101 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 101 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 101 G C 1.123 175.897 174.900 -0.209 0.000 1.158 101 G CA 0.953 45.931 45.100 -0.204 0.000 0.771 101 G HN 0.346 nan 8.290 nan 0.000 0.545 102 N N 0.035 118.581 118.700 -0.256 0.000 2.142 102 N HA -0.061 4.679 4.740 -0.000 0.000 0.186 102 N C 2.287 177.727 175.510 -0.117 0.000 1.023 102 N CA 0.881 53.805 53.050 -0.210 0.000 0.852 102 N CB -0.367 37.950 38.487 -0.284 0.000 0.998 102 N HN 0.182 nan 8.380 nan 0.000 0.424 103 V N 1.123 120.980 119.914 -0.094 0.000 2.295 103 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 103 V C 2.453 178.539 176.094 -0.015 0.000 1.049 103 V CA 1.581 63.860 62.300 -0.035 0.000 1.024 103 V CB -0.480 31.335 31.823 -0.013 0.000 0.648 103 V HN 0.321 nan 8.190 nan 0.000 0.447 104 R N 0.477 120.945 120.500 -0.054 0.000 2.094 104 R HA -0.235 4.105 4.340 -0.000 0.000 0.239 104 R C 2.285 178.563 176.300 -0.036 0.000 1.137 104 R CA 2.077 58.140 56.100 -0.061 0.000 0.943 104 R CB -0.563 29.532 30.300 -0.341 0.000 0.850 104 R HN 0.467 nan 8.270 nan 0.000 0.433 105 A N 1.008 123.774 122.820 -0.089 0.000 1.908 105 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 105 A C 2.096 179.659 177.584 -0.034 0.000 1.181 105 A CA 1.400 53.393 52.037 -0.073 0.000 0.627 105 A CB -0.620 18.324 19.000 -0.092 0.000 0.818 105 A HN 0.412 nan 8.150 nan 0.000 0.445 106 L N -0.456 120.755 121.223 -0.020 0.000 2.056 106 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 106 L C 2.343 179.226 176.870 0.022 0.000 1.078 106 L CA 1.533 56.373 54.840 0.000 0.000 0.749 106 L CB -0.363 41.699 42.059 0.004 0.000 0.901 106 L HN 0.410 nan 8.230 nan 0.000 0.433 107 L N -1.257 119.993 121.223 0.046 0.000 2.056 107 L HA -0.230 4.110 4.340 -0.000 0.000 0.207 107 L C 2.618 179.533 176.870 0.075 0.000 1.078 107 L CA 1.253 56.137 54.840 0.074 0.000 0.749 107 L CB -0.533 41.601 42.059 0.125 0.000 0.901 107 L HN 0.368 nan 8.230 nan 0.000 0.433 108 Q N -0.535 119.318 119.800 0.088 0.000 2.061 108 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 108 Q C 2.329 178.313 176.000 -0.025 0.000 0.984 108 Q CA 1.697 57.538 55.803 0.064 0.000 0.846 108 Q CB -0.190 28.583 28.738 0.059 0.000 0.902 108 Q HN 0.527 nan 8.270 nan 0.000 0.421 109 M N 0.000 119.576 119.600 -0.040 0.000 2.080 109 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 109 M C 2.405 178.680 176.300 -0.041 0.000 1.068 109 M CA 1.548 56.811 55.300 -0.062 0.000 1.109 109 M CB -0.437 32.148 32.600 -0.026 0.000 1.342 109 M HN 0.244 nan 8.290 nan 0.000 0.405 110 A N -0.120 122.702 122.820 0.003 0.000 1.940 110 A HA -0.103 4.216 4.320 -0.000 0.000 0.219 110 A C 2.252 179.838 177.584 0.003 0.000 1.176 110 A CA 1.619 53.671 52.037 0.025 0.000 0.631 110 A CB -0.984 18.042 19.000 0.044 0.000 0.814 110 A HN 0.316 nan 8.150 nan 0.000 0.446 111 V N -0.445 119.462 119.914 -0.011 0.000 2.261 111 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 111 V C 2.575 178.638 176.094 -0.051 0.000 1.047 111 V CA 2.102 64.389 62.300 -0.021 0.000 1.015 111 V CB -0.808 31.013 31.823 -0.003 0.000 0.642 111 V HN 0.384 nan 8.190 nan 0.000 0.446 112 V N -0.333 119.496 119.914 -0.142 0.000 2.343 112 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 112 V C 2.251 178.258 176.094 -0.145 0.000 1.051 112 V CA 1.845 63.988 62.300 -0.261 0.000 1.036 112 V CB -0.535 30.915 31.823 -0.622 0.000 0.654 112 V HN 0.435 nan 8.190 nan 0.000 0.451 113 L N -0.507 120.648 121.223 -0.114 0.000 2.156 113 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 113 L C 2.615 179.437 176.870 -0.080 0.000 1.095 113 L CA 1.554 56.327 54.840 -0.111 0.000 0.770 113 L CB -0.862 41.167 42.059 -0.050 0.000 0.914 113 L HN 0.339 nan 8.230 nan 0.000 0.439 114 T N -1.171 113.375 114.554 -0.012 0.000 2.708 114 T HA -0.263 4.087 4.350 -0.000 0.000 0.266 114 T C 1.713 176.409 174.700 -0.005 0.000 1.037 114 T CA 1.545 63.650 62.100 0.008 0.000 1.146 114 T CB -0.403 68.483 68.868 0.030 0.000 0.865 114 T HN 0.272 nan 8.240 nan 0.000 0.435 115 Y N 1.808 122.059 120.300 -0.081 0.000 2.145 115 Y HA -0.059 4.491 4.550 -0.000 0.000 0.286 115 Y C 2.569 178.426 175.900 -0.072 0.000 1.145 115 Y CA 1.420 59.477 58.100 -0.073 0.000 1.148 115 Y CB -0.797 37.612 38.460 -0.085 0.000 0.981 115 Y HN 0.200 nan 8.280 nan 0.000 0.507 116 G N -0.744 108.040 108.800 -0.027 0.000 2.408 116 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 116 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 116 G C 1.695 176.496 174.900 -0.165 0.000 1.150 116 G CA 0.747 45.790 45.100 -0.095 0.000 0.776 116 G HN 0.567 nan 8.290 nan 0.000 0.542 117 A N -0.407 122.306 122.820 -0.178 0.000 2.072 117 A HA 0.391 4.711 4.320 -0.000 0.000 0.216 117 A C 1.769 179.297 177.584 -0.093 0.000 1.156 117 A CA 1.342 53.289 52.037 -0.149 0.000 0.701 117 A CB -0.142 18.749 19.000 -0.182 0.000 0.816 117 A HN 0.690 nan 8.150 nan 0.000 0.458 118 S N -1.424 114.191 115.700 -0.142 0.000 3.587 118 S HA -0.182 4.288 4.470 -0.000 0.000 0.337 118 S C -0.008 174.560 174.600 -0.053 0.000 1.119 118 S CA 1.409 59.527 58.200 -0.136 0.000 0.976 118 S CB -2.185 60.928 63.200 -0.144 0.000 0.922 118 S HN 1.183 nan 8.310 nan 0.000 0.503 119 M N -3.160 116.429 119.600 -0.018 0.000 2.682 119 M HA 0.689 5.169 4.480 -0.000 0.000 0.272 119 M C -3.420 172.910 176.300 0.051 0.000 1.232 119 M CA -2.382 52.933 55.300 0.025 0.000 0.849 119 M CB 1.088 33.722 32.600 0.056 0.000 1.695 119 M HN -0.241 nan 8.290 nan 0.000 0.481 120 P HA 0.210 nan 4.420 nan 0.000 0.267 120 P C -1.018 176.351 177.300 0.115 0.000 1.200 120 P CA -0.294 62.847 63.100 0.069 0.000 0.772 120 P CB 0.541 32.274 31.700 0.056 0.000 0.855 121 V N 4.146 124.129 119.914 0.116 0.000 2.398 121 V HA 0.152 4.272 4.120 -0.000 0.000 0.286 121 V C 0.208 176.370 176.094 0.113 0.000 1.026 121 V CA -0.681 61.713 62.300 0.157 0.000 0.868 121 V CB 1.823 33.746 31.823 0.167 0.000 0.982 121 V HN 0.228 nan 8.190 nan 0.000 0.443 122 V N 6.003 125.971 119.914 0.090 0.000 2.427 122 V HA 0.251 4.371 4.120 -0.000 0.000 0.268 122 V C 0.281 176.420 176.094 0.076 0.000 1.046 122 V CA -0.519 61.821 62.300 0.066 0.000 0.970 122 V CB 0.721 32.531 31.823 -0.022 0.000 1.001 122 V HN 0.814 nan 8.190 nan 0.000 0.476 123 K N 4.496 124.980 120.400 0.141 0.000 2.292 123 K HA 0.601 4.921 4.320 -0.000 0.000 0.270 123 K C -1.075 175.620 176.600 0.157 0.000 1.062 123 K CA -0.399 55.956 56.287 0.113 0.000 0.916 123 K CB 1.697 34.251 32.500 0.090 0.000 1.166 123 K HN 0.457 nan 8.250 nan 0.000 0.458 124 V N 2.591 122.556 119.914 0.084 0.000 2.378 124 V HA 0.425 4.545 4.120 -0.000 0.000 0.288 124 V C -0.088 176.040 176.094 0.057 0.000 1.016 124 V CA -1.045 61.317 62.300 0.104 0.000 0.840 124 V CB 1.388 33.231 31.823 0.034 0.000 0.994 124 V HN 0.856 nan 8.190 nan 0.000 0.431 125 A N 5.308 128.189 122.820 0.101 0.000 2.354 125 A HA 0.598 4.918 4.320 -0.000 0.000 0.269 125 A C 0.393 178.051 177.584 0.124 0.000 1.109 125 A CA -0.532 51.552 52.037 0.080 0.000 0.800 125 A CB 0.266 19.310 19.000 0.073 0.000 1.045 125 A HN 0.843 nan 8.150 nan 0.000 0.489 126 R N 1.317 121.888 120.500 0.119 0.000 2.351 126 R HA 0.522 4.862 4.340 -0.000 0.000 0.321 126 R C -0.770 175.605 176.300 0.125 0.000 1.182 126 R CA 0.412 56.636 56.100 0.208 0.000 1.011 126 R CB -0.172 30.287 30.300 0.264 0.000 1.048 126 R HN 0.693 nan 8.270 nan 0.000 0.490 127 I N -0.277 120.365 120.570 0.119 0.000 2.897 127 I HA 0.254 4.423 4.170 -0.000 0.000 0.299 127 I C -0.855 175.302 176.117 0.067 0.000 1.527 127 I CA -0.343 60.988 61.300 0.052 0.000 0.979 127 I CB 1.811 39.846 38.000 0.057 0.000 1.360 127 I HN 0.660 nan 8.210 nan 0.000 0.495 128 A N 3.561 126.399 122.820 0.030 0.000 2.791 128 A HA 0.077 4.397 4.320 -0.000 0.000 0.292 128 A C 0.852 178.484 177.584 0.080 0.000 1.487 128 A CA 1.539 53.628 52.037 0.087 0.000 0.760 128 A CB -2.243 16.819 19.000 0.103 0.000 1.031 128 A HN 2.204 nan 8.150 nan 0.000 0.503 129 G N -2.230 106.508 108.800 -0.103 0.000 3.987 129 G HA2 0.234 4.194 3.960 -0.000 0.000 0.220 129 G HA3 0.234 4.194 3.960 -0.000 0.000 0.220 129 G C 0.091 174.649 174.900 -0.571 0.000 0.871 129 G CA 0.671 45.569 45.100 -0.337 0.000 0.881 129 G HN 1.215 nan 8.290 nan 0.000 0.674 130 Q N 0.991 120.508 119.800 -0.471 0.000 3.026 130 Q HA 0.514 4.854 4.340 -0.000 0.000 0.258 130 Q C -0.225 175.517 176.000 -0.430 0.000 1.388 130 Q CA -0.378 55.244 55.803 -0.301 0.000 1.000 130 Q CB -0.645 28.041 28.738 -0.088 0.000 1.634 130 Q HN 0.490 nan 8.270 nan 0.000 0.571 131 Y N -0.419 119.761 120.300 -0.200 0.000 2.641 131 Y HA 0.609 5.159 4.550 -0.000 0.000 0.248 131 Y C -0.045 175.698 175.900 -0.262 0.000 1.170 131 Y CA -0.144 57.814 58.100 -0.237 0.000 1.201 131 Y CB 0.805 39.120 38.460 -0.242 0.000 1.232 131 Y HN 0.383 nan 8.280 nan 0.000 0.537 132 A N 0.962 123.715 122.820 -0.111 0.000 2.520 132 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 132 A C -1.000 176.497 177.584 -0.145 0.000 1.051 132 A CA -0.846 51.097 52.037 -0.156 0.000 0.690 132 A CB 1.671 20.591 19.000 -0.133 0.000 1.281 132 A HN 0.191 nan 8.150 nan 0.000 0.402 133 K N 1.396 121.691 120.400 -0.175 0.000 2.508 133 K HA 0.818 5.138 4.320 -0.000 0.000 0.260 133 K C -3.255 173.268 176.600 -0.129 0.000 0.949 133 K CA -1.923 54.288 56.287 -0.127 0.000 0.834 133 K CB 2.788 35.225 32.500 -0.104 0.000 1.365 133 K HN 0.360 nan 8.250 nan 0.000 0.437 134 P HA 0.268 nan 4.420 nan 0.000 0.276 134 P C -0.972 176.295 177.300 -0.056 0.000 1.261 134 P CA -0.615 62.436 63.100 -0.082 0.000 0.800 134 P CB 0.698 32.352 31.700 -0.076 0.000 1.066 135 R N -0.307 120.169 120.500 -0.040 0.000 2.854 135 R HA 0.301 4.641 4.340 -0.000 0.000 0.271 135 R C 1.439 177.734 176.300 -0.008 0.000 0.994 135 R CA -0.523 55.569 56.100 -0.014 0.000 0.945 135 R CB 1.477 31.774 30.300 -0.006 0.000 1.194 135 R HN 0.587 nan 8.270 nan 0.000 0.476 136 S N 0.285 115.987 115.700 0.005 0.000 2.377 136 S HA 0.044 4.514 4.470 -0.000 0.000 0.223 136 S C 0.920 175.522 174.600 0.003 0.000 1.030 136 S CA 0.574 58.777 58.200 0.006 0.000 0.970 136 S CB 0.085 63.294 63.200 0.015 0.000 0.830 136 S HN 0.646 nan 8.310 nan 0.000 0.473 137 A N 1.328 124.159 122.820 0.019 0.000 2.316 137 A HA 0.451 4.771 4.320 -0.000 0.000 0.284 137 A C 0.836 178.426 177.584 0.011 0.000 1.115 137 A CA -0.188 51.857 52.037 0.013 0.000 0.812 137 A CB 0.356 19.363 19.000 0.013 0.000 1.064 137 A HN 0.317 nan 8.150 nan 0.000 0.489 138 D N 0.722 121.125 120.400 0.005 0.000 2.213 138 D HA 0.056 4.696 4.640 -0.000 0.000 0.205 138 D C 0.187 176.490 176.300 0.005 0.000 0.961 138 D CA 1.117 55.119 54.000 0.004 0.000 0.853 138 D CB 0.125 40.922 40.800 -0.005 0.000 0.967 138 D HN 0.542 nan 8.370 nan 0.000 0.496 139 I N 1.498 122.069 120.570 0.001 0.000 2.465 139 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 139 I C -0.225 175.891 176.117 -0.001 0.000 1.014 139 I CA -1.107 60.192 61.300 -0.001 0.000 1.093 139 I CB 2.040 40.036 38.000 -0.008 0.000 1.267 139 I HN -0.146 nan 8.210 nan 0.000 0.431 140 D N 4.990 125.387 120.400 -0.004 0.000 2.506 140 D HA 0.330 4.970 4.640 -0.000 0.000 0.272 140 D C 0.901 177.188 176.300 -0.022 0.000 1.214 140 D CA -0.606 53.388 54.000 -0.009 0.000 1.067 140 D CB 1.089 41.883 40.800 -0.010 0.000 1.117 140 D HN 0.499 nan 8.370 nan 0.000 0.578 141 A N -0.571 122.231 122.820 -0.031 0.000 2.121 141 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 141 A C 2.050 179.608 177.584 -0.044 0.000 1.154 141 A CA 0.628 52.643 52.037 -0.038 0.000 0.679 141 A CB -0.765 18.206 19.000 -0.047 0.000 0.795 141 A HN 0.539 nan 8.150 nan 0.000 0.458 142 L N -1.278 119.915 121.223 -0.051 0.000 2.592 142 L HA 0.210 4.550 4.340 -0.000 0.000 0.227 142 L C 1.566 178.412 176.870 -0.039 0.000 1.127 142 L CA 0.475 55.284 54.840 -0.052 0.000 0.884 142 L CB -0.144 41.873 42.059 -0.070 0.000 1.065 142 L HN 0.536 nan 8.230 nan 0.000 0.457 143 G N 0.693 109.474 108.800 -0.031 0.000 2.143 143 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.248 143 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.248 143 G C 0.061 174.948 174.900 -0.021 0.000 0.991 143 G CA 0.005 45.091 45.100 -0.024 0.000 0.689 143 G HN 0.250 nan 8.290 nan 0.000 0.522 144 L N -0.371 120.838 121.223 -0.023 0.000 2.352 144 L HA 0.578 4.918 4.340 -0.000 0.000 0.269 144 L C 1.371 178.240 176.870 -0.002 0.000 1.034 144 L CA -1.310 53.521 54.840 -0.015 0.000 0.806 144 L CB 0.915 42.959 42.059 -0.024 0.000 1.244 144 L HN 0.057 nan 8.230 nan 0.000 0.447 145 R N 0.749 121.254 120.500 0.009 0.000 2.583 145 R HA 0.053 4.393 4.340 -0.000 0.000 0.274 145 R C -0.184 176.150 176.300 0.055 0.000 0.998 145 R CA -0.125 55.992 56.100 0.027 0.000 1.081 145 R CB 0.206 30.527 30.300 0.036 0.000 0.940 145 R HN 0.569 nan 8.270 nan 0.000 0.413 146 S N 2.289 118.027 115.700 0.063 0.000 2.562 146 S HA -0.063 4.407 4.470 -0.000 0.000 0.281 146 S C -0.361 174.317 174.600 0.130 0.000 1.333 146 S CA -0.396 57.851 58.200 0.079 0.000 1.052 146 S CB 0.258 63.490 63.200 0.054 0.000 0.884 146 S HN 0.377 nan 8.310 nan 0.000 0.506 147 Y N 2.795 123.094 120.300 -0.002 0.000 2.632 147 Y HA 0.062 4.612 4.550 -0.000 0.000 0.329 147 Y C 1.128 177.035 175.900 0.012 0.000 1.174 147 Y CA 0.086 58.194 58.100 0.013 0.000 1.469 147 Y CB 0.166 38.647 38.460 0.035 0.000 1.242 147 Y HN 0.601 nan 8.280 nan 0.000 0.540 148 R N 4.054 124.283 120.500 -0.452 0.000 2.577 148 R HA 0.344 4.684 4.340 -0.000 0.000 0.344 148 R C 0.166 176.083 176.300 -0.637 0.000 1.037 148 R CA 0.226 56.047 56.100 -0.464 0.000 1.102 148 R CB 0.205 30.304 30.300 -0.334 0.000 1.313 148 R HN 1.000 nan 8.270 nan 0.000 0.561 149 G N 1.003 109.048 108.800 -1.259 0.000 2.690 149 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 149 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 149 G C -0.416 174.253 174.900 -0.385 0.000 1.277 149 G CA -0.702 43.913 45.100 -0.807 0.000 0.799 149 G HN 0.132 nan 8.290 nan 0.000 0.613 150 D N 0.077 120.348 120.400 -0.216 0.000 2.312 150 D HA -0.037 4.603 4.640 -0.000 0.000 0.211 150 D C 2.421 178.502 176.300 -0.365 0.000 0.964 150 D CA 1.139 54.903 54.000 -0.393 0.000 0.877 150 D CB -0.005 40.110 40.800 -1.142 0.000 0.924 150 D HN 0.475 nan 8.370 nan 0.000 0.515 151 M N -0.414 119.064 119.600 -0.204 0.000 2.460 151 M HA -0.058 4.422 4.480 -0.000 0.000 0.263 151 M C 1.101 177.481 176.300 0.133 0.000 1.071 151 M CA 1.189 56.490 55.300 0.001 0.000 1.096 151 M CB 0.245 32.809 32.600 -0.060 0.000 1.408 151 M HN -0.007 nan 8.290 nan 0.000 0.463 152 I N -0.626 119.954 120.570 0.018 0.000 3.366 152 I HA 0.064 4.234 4.170 -0.000 0.000 0.267 152 I C 0.351 176.487 176.117 0.031 0.000 1.149 152 I CA -0.079 61.216 61.300 -0.008 0.000 1.436 152 I CB 0.197 37.962 38.000 -0.392 0.000 1.379 152 I HN 0.328 nan 8.210 nan 0.000 0.460 153 N N 0.424 119.127 118.700 0.004 0.000 3.243 153 N HA 0.332 5.072 4.740 -0.000 0.000 0.280 153 N C -0.620 175.039 175.510 0.249 0.000 1.545 153 N CA -0.479 52.652 53.050 0.135 0.000 0.854 153 N CB 0.565 39.142 38.487 0.150 0.000 1.612 153 N HN -0.034 nan 8.380 nan 0.000 0.577 154 G N -1.207 107.743 108.800 0.251 0.000 2.389 154 G HA2 0.403 4.363 3.960 -0.000 0.000 0.328 154 G HA3 0.403 4.363 3.960 -0.000 0.000 0.328 154 G C -0.377 174.587 174.900 0.108 0.000 1.133 154 G CA -0.735 44.494 45.100 0.215 0.000 0.891 154 G HN 0.477 nan 8.290 nan 0.000 0.485 155 F N 2.644 122.349 119.950 -0.408 0.000 2.269 155 F HA 0.167 4.693 4.527 -0.000 0.000 0.301 155 F C 1.985 177.579 175.800 -0.343 0.000 1.082 155 F CA 0.672 58.155 58.000 -0.862 0.000 1.360 155 F CB 0.080 38.555 39.000 -0.876 0.000 1.041 155 F HN 0.486 nan 8.300 nan 0.000 0.512 156 A N 2.179 124.930 122.820 -0.115 0.000 2.546 156 A HA 0.144 4.464 4.320 -0.000 0.000 0.243 156 A C -2.069 175.412 177.584 -0.171 0.000 1.063 156 A CA -0.822 51.150 52.037 -0.109 0.000 0.757 156 A CB -0.828 18.165 19.000 -0.011 0.000 0.991 156 A HN 0.211 nan 8.150 nan 0.000 0.503 157 P HA 0.179 nan 4.420 nan 0.000 0.230 157 P C -1.214 176.036 177.300 -0.083 0.000 1.791 157 P CA 0.198 63.200 63.100 -0.162 0.000 1.020 157 P CB -0.652 30.943 31.700 -0.175 0.000 1.977 158 D N -1.030 119.338 120.400 -0.054 0.000 2.661 158 D HA 0.493 5.133 4.640 -0.000 0.000 0.228 158 D C 0.994 177.292 176.300 -0.005 0.000 1.183 158 D CA -1.078 52.907 54.000 -0.024 0.000 0.844 158 D CB 0.957 41.749 40.800 -0.013 0.000 1.555 158 D HN -0.131 nan 8.370 nan 0.000 0.453 159 A N 1.510 124.330 122.820 0.000 0.000 1.908 159 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 159 A C 2.212 179.813 177.584 0.029 0.000 1.181 159 A CA 2.176 54.220 52.037 0.012 0.000 0.627 159 A CB -1.319 17.685 19.000 0.006 0.000 0.818 159 A HN 0.771 nan 8.150 nan 0.000 0.445 160 A N -0.235 122.601 122.820 0.028 0.000 1.902 160 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 160 A C 2.494 180.113 177.584 0.059 0.000 1.181 160 A CA 2.038 54.099 52.037 0.040 0.000 0.623 160 A CB -1.005 18.015 19.000 0.032 0.000 0.818 160 A HN 1.112 nan 8.150 nan 0.000 0.443 161 A N -0.812 122.039 122.820 0.053 0.000 1.972 161 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 161 A C 2.086 179.734 177.584 0.106 0.000 1.169 161 A CA 1.285 53.365 52.037 0.072 0.000 0.635 161 A CB -0.330 18.698 19.000 0.046 0.000 0.810 161 A HN 0.359 nan 8.150 nan 0.000 0.446 162 R N 0.313 120.871 120.500 0.097 0.000 2.297 162 R HA 0.115 4.455 4.340 -0.000 0.000 0.197 162 R C -0.183 176.232 176.300 0.191 0.000 0.943 162 R CA 0.078 56.260 56.100 0.137 0.000 1.038 162 R CB -0.172 30.183 30.300 0.092 0.000 0.957 162 R HN 0.484 nan 8.270 nan 0.000 0.484 163 E N 1.139 121.434 120.200 0.157 0.000 2.398 163 E HA 0.017 4.366 4.350 -0.000 0.000 0.263 163 E C -0.268 176.519 176.600 0.311 0.000 1.046 163 E CA 0.139 56.645 56.400 0.176 0.000 0.908 163 E CB 0.481 30.247 29.700 0.110 0.000 0.963 163 E HN 0.263 nan 8.360 nan 0.000 0.431 164 H N 1.878 121.025 119.070 0.128 0.000 2.878 164 H HA 0.058 4.614 4.556 -0.000 0.000 0.290 164 H C -0.383 175.190 175.328 0.408 0.000 1.065 164 H CA -0.310 55.870 56.048 0.221 0.000 1.477 164 H CB 0.655 30.458 29.762 0.068 0.000 1.484 164 H HN 0.194 nan 8.280 nan 0.000 0.504 165 D N 5.994 126.710 120.400 0.527 0.000 2.453 165 D HA 0.118 4.758 4.640 -0.000 0.000 0.238 165 D C -1.800 174.552 176.300 0.086 0.000 1.088 165 D CA -2.691 51.482 54.000 0.289 0.000 0.854 165 D CB 1.676 42.583 40.800 0.179 0.000 1.076 165 D HN 0.243 nan 8.370 nan 0.000 0.533 166 P HA -0.115 nan 4.420 nan 0.000 0.226 166 P C 1.221 178.216 177.300 -0.509 0.000 1.153 166 P CA 0.602 63.055 63.100 -1.078 0.000 0.777 166 P CB 0.068 31.052 31.700 -1.192 0.000 0.794 167 S N 0.192 115.752 115.700 -0.234 0.000 2.442 167 S HA -0.132 4.338 4.470 -0.000 0.000 0.236 167 S C 1.986 176.541 174.600 -0.074 0.000 1.007 167 S CA 0.608 58.732 58.200 -0.126 0.000 0.965 167 S CB -0.991 62.170 63.200 -0.065 0.000 0.773 167 S HN 0.116 nan 8.310 nan 0.000 0.504 168 R N 0.519 121.001 120.500 -0.031 0.000 2.237 168 R HA 0.190 4.530 4.340 -0.000 0.000 0.219 168 R C 2.009 178.345 176.300 0.061 0.000 1.080 168 R CA 0.944 57.093 56.100 0.081 0.000 0.995 168 R CB -0.576 29.841 30.300 0.195 0.000 0.875 168 R HN 0.454 nan 8.270 nan 0.000 0.462 169 L N -0.251 120.960 121.223 -0.020 0.000 2.046 169 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 169 L C 2.188 179.147 176.870 0.148 0.000 1.077 169 L CA 1.151 56.041 54.840 0.083 0.000 0.747 169 L CB -0.395 41.680 42.059 0.027 0.000 0.896 169 L HN 0.023 nan 8.230 nan 0.000 0.432 170 V N -0.565 119.376 119.914 0.045 0.000 2.407 170 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 170 V C 2.599 178.700 176.094 0.012 0.000 1.041 170 V CA 1.525 63.863 62.300 0.064 0.000 1.040 170 V CB -0.587 31.234 31.823 -0.003 0.000 0.671 170 V HN 0.398 nan 8.190 nan 0.000 0.455 171 R N 0.338 120.767 120.500 -0.119 0.000 2.091 171 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 171 R C 2.297 178.211 176.300 -0.644 0.000 1.136 171 R CA 1.707 57.574 56.100 -0.387 0.000 0.959 171 R CB -0.445 29.588 30.300 -0.444 0.000 0.856 171 R HN 0.497 nan 8.270 nan 0.000 0.437 172 A N 0.097 122.722 122.820 -0.324 0.000 1.877 172 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 172 A C 2.032 179.593 177.584 -0.038 0.000 1.186 172 A CA 1.521 53.430 52.037 -0.214 0.000 0.620 172 A CB -0.997 17.944 19.000 -0.098 0.000 0.822 172 A HN 0.646 nan 8.150 nan 0.000 0.443 173 Y N 0.716 121.084 120.300 0.113 0.000 2.181 173 Y HA -0.095 4.455 4.550 -0.000 0.000 0.288 173 Y C 2.560 178.482 175.900 0.037 0.000 1.146 173 Y CA 1.332 59.549 58.100 0.194 0.000 1.164 173 Y CB -0.580 37.981 38.460 0.168 0.000 0.982 173 Y HN 0.302 nan 8.280 nan 0.000 0.515 174 A N 0.854 123.525 122.820 -0.248 0.000 1.877 174 A HA -0.233 4.086 4.320 -0.000 0.000 0.216 174 A C 2.177 179.573 177.584 -0.314 0.000 1.186 174 A CA 1.919 53.766 52.037 -0.317 0.000 0.620 174 A CB -0.914 17.986 19.000 -0.166 0.000 0.822 174 A HN 0.660 nan 8.150 nan 0.000 0.443 175 N N 0.115 118.629 118.700 -0.311 0.000 2.166 175 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 175 N C 1.972 177.478 175.510 -0.007 0.000 1.019 175 N CA 1.335 54.280 53.050 -0.175 0.000 0.856 175 N CB -0.307 38.012 38.487 -0.281 0.000 0.993 175 N HN 0.490 nan 8.380 nan 0.000 0.426 176 A N 1.195 124.013 122.820 -0.003 0.000 1.873 176 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 176 A C 2.463 180.012 177.584 -0.058 0.000 1.186 176 A CA 2.059 54.137 52.037 0.069 0.000 0.616 176 A CB -0.765 18.324 19.000 0.148 0.000 0.823 176 A HN 0.453 nan 8.150 nan 0.000 0.442 177 S N 0.264 115.806 115.700 -0.263 0.000 2.383 177 S HA 0.049 4.519 4.470 -0.000 0.000 0.227 177 S C 2.092 176.614 174.600 -0.129 0.000 1.026 177 S CA 1.289 59.342 58.200 -0.246 0.000 0.981 177 S CB -0.671 62.250 63.200 -0.466 0.000 0.818 177 S HN 0.862 nan 8.310 nan 0.000 0.472 178 A N 2.223 124.967 122.820 -0.127 0.000 1.898 178 A HA 0.343 4.663 4.320 -0.000 0.000 0.216 178 A C 2.542 180.117 177.584 -0.015 0.000 1.181 178 A CA 1.649 53.649 52.037 -0.062 0.000 0.620 178 A CB -1.464 17.498 19.000 -0.064 0.000 0.819 178 A HN 0.809 nan 8.150 nan 0.000 0.442 179 A N -1.016 121.810 122.820 0.010 0.000 1.877 179 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 179 A C 2.193 179.796 177.584 0.031 0.000 1.186 179 A CA 2.254 54.315 52.037 0.041 0.000 0.620 179 A CB -0.486 18.563 19.000 0.082 0.000 0.822 179 A HN 0.521 nan 8.150 nan 0.000 0.443 180 M N 0.281 119.896 119.600 0.025 0.000 2.132 180 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 180 M C 1.766 178.079 176.300 0.021 0.000 1.065 180 M CA 2.068 57.388 55.300 0.032 0.000 1.122 180 M CB -0.740 31.879 32.600 0.031 0.000 1.365 180 M HN 0.533 nan 8.290 nan 0.000 0.411 181 N N -0.108 118.595 118.700 0.005 0.000 2.060 181 N HA -0.225 4.514 4.740 -0.000 0.000 0.195 181 N C 1.531 177.047 175.510 0.010 0.000 1.028 181 N CA 2.016 55.069 53.050 0.005 0.000 0.861 181 N CB -0.413 38.071 38.487 -0.005 0.000 1.029 181 N HN 0.403 nan 8.380 nan 0.000 0.428 182 L N -0.129 121.101 121.223 0.012 0.000 2.056 182 L HA 0.015 4.355 4.340 -0.000 0.000 0.207 182 L C 2.065 178.945 176.870 0.017 0.000 1.078 182 L CA 1.190 56.039 54.840 0.015 0.000 0.749 182 L CB -0.649 41.421 42.059 0.017 0.000 0.901 182 L HN 0.085 nan 8.230 nan 0.000 0.433 183 V N 0.151 120.077 119.914 0.019 0.000 2.287 183 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 183 V C 2.733 178.833 176.094 0.010 0.000 1.053 183 V CA 2.234 64.545 62.300 0.018 0.000 1.027 183 V CB -0.703 31.137 31.823 0.028 0.000 0.646 183 V HN 0.469 nan 8.190 nan 0.000 0.447 184 R N 0.134 120.641 120.500 0.011 0.000 2.083 184 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 184 R C 2.463 178.765 176.300 0.002 0.000 1.137 184 R CA 1.585 57.686 56.100 0.001 0.000 0.951 184 R CB -0.705 29.600 30.300 0.008 0.000 0.851 184 R HN 0.544 nan 8.270 nan 0.000 0.434 185 A N 1.325 124.150 122.820 0.009 0.000 1.877 185 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 185 A C 2.227 179.821 177.584 0.017 0.000 1.186 185 A CA 1.259 53.302 52.037 0.011 0.000 0.620 185 A CB -0.615 18.393 19.000 0.013 0.000 0.822 185 A HN 0.177 nan 8.150 nan 0.000 0.443 186 L N -0.170 121.065 121.223 0.021 0.000 2.046 186 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 186 L C 2.967 179.858 176.870 0.035 0.000 1.077 186 L CA 1.861 56.722 54.840 0.034 0.000 0.747 186 L CB -0.875 41.207 42.059 0.037 0.000 0.896 186 L HN 0.661 nan 8.230 nan 0.000 0.432 187 T N -4.053 110.513 114.554 0.019 0.000 2.995 187 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 187 T C 1.818 176.519 174.700 0.003 0.000 1.091 187 T CA 0.989 63.095 62.100 0.010 0.000 1.128 187 T CB -0.263 68.597 68.868 -0.014 0.000 0.891 187 T HN 0.406 nan 8.240 nan 0.000 0.492 188 S N 1.296 116.997 115.700 0.002 0.000 2.524 188 S HA 0.135 4.604 4.470 -0.000 0.000 0.216 188 S C 1.797 176.401 174.600 0.008 0.000 0.987 188 S CA 0.271 58.471 58.200 -0.000 0.000 0.909 188 S CB -0.214 62.983 63.200 -0.004 0.000 0.781 188 S HN 0.646 nan 8.310 nan 0.000 0.521 189 S N -0.928 114.781 115.700 0.016 0.000 2.701 189 S HA 0.645 5.115 4.470 -0.000 0.000 0.242 189 S C 1.157 175.772 174.600 0.025 0.000 1.025 189 S CA 0.262 58.473 58.200 0.019 0.000 1.016 189 S CB 0.477 63.689 63.200 0.020 0.000 0.977 189 S HN 1.116 nan 8.310 nan 0.000 0.546 190 G N 0.991 109.809 108.800 0.030 0.000 2.551 190 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.186 190 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.186 190 G C 0.472 175.402 174.900 0.050 0.000 1.002 190 G CA 0.061 45.180 45.100 0.031 0.000 0.723 190 G HN 0.396 nan 8.290 nan 0.000 0.481 191 L N 1.815 123.092 121.223 0.089 0.000 2.141 191 L HA 0.563 4.903 4.340 -0.000 0.000 0.209 191 L C 2.486 179.442 176.870 0.144 0.000 1.094 191 L CA 2.769 57.712 54.840 0.172 0.000 0.763 191 L CB -0.120 42.045 42.059 0.176 0.000 0.908 191 L HN 0.570 nan 8.230 nan 0.000 0.437 192 A N -1.519 121.346 122.820 0.075 0.000 2.462 192 A HA 0.220 4.540 4.320 -0.000 0.000 0.261 192 A C 1.007 178.598 177.584 0.012 0.000 1.323 192 A CA 0.283 52.350 52.037 0.050 0.000 0.913 192 A CB -0.650 18.370 19.000 0.033 0.000 1.028 192 A HN 0.316 nan 8.150 nan 0.000 0.511 193 S N 0.130 115.824 115.700 -0.010 0.000 2.488 193 S HA 0.189 4.659 4.470 -0.000 0.000 0.278 193 S C 1.187 175.755 174.600 -0.052 0.000 1.259 193 S CA -0.478 57.714 58.200 -0.014 0.000 1.061 193 S CB 0.157 63.349 63.200 -0.013 0.000 0.910 193 S HN 0.501 nan 8.310 nan 0.000 0.491 194 L N 6.177 127.372 121.223 -0.048 0.000 2.042 194 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 194 L C 1.871 178.636 176.870 -0.176 0.000 1.076 194 L CA 2.227 56.988 54.840 -0.132 0.000 0.749 194 L CB -1.179 40.756 42.059 -0.206 0.000 0.893 194 L HN 0.926 nan 8.230 nan 0.000 0.432 195 H N -1.611 117.420 119.070 -0.066 0.000 2.353 195 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 195 H C 1.930 177.170 175.328 -0.147 0.000 1.090 195 H CA 1.880 57.894 56.048 -0.056 0.000 1.327 195 H CB -0.296 29.435 29.762 -0.053 0.000 1.383 195 H HN 0.333 nan 8.280 nan 0.000 0.508 196 L N 0.225 121.358 121.223 -0.150 0.000 2.027 196 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 196 L C 2.069 178.404 176.870 -0.892 0.000 1.074 196 L CA 1.158 55.702 54.840 -0.493 0.000 0.745 196 L CB -0.506 41.252 42.059 -0.503 0.000 0.898 196 L HN 0.106 nan 8.230 nan 0.000 0.433 197 V N -0.497 119.052 119.914 -0.609 0.000 2.332 197 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 197 V C 2.569 178.607 176.094 -0.093 0.000 1.055 197 V CA 2.094 64.190 62.300 -0.340 0.000 1.038 197 V CB -1.087 30.732 31.823 -0.007 0.000 0.651 197 V HN 0.712 nan 8.190 nan 0.000 0.450 198 H N 0.329 119.301 119.070 -0.163 0.000 2.423 198 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 198 H C 1.959 177.268 175.328 -0.033 0.000 1.075 198 H CA 1.718 57.724 56.048 -0.069 0.000 1.342 198 H CB -0.192 29.513 29.762 -0.096 0.000 1.395 198 H HN 0.373 nan 8.280 nan 0.000 0.530 199 D N -0.122 120.132 120.400 -0.243 0.000 2.149 199 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 199 D C 1.756 178.013 176.300 -0.072 0.000 0.990 199 D CA 0.898 54.763 54.000 -0.224 0.000 0.839 199 D CB -0.384 40.287 40.800 -0.215 0.000 0.948 199 D HN 0.513 nan 8.370 nan 0.000 0.460 200 W N 1.476 122.765 121.300 -0.018 0.000 2.358 200 W HA -0.058 4.602 4.660 -0.000 0.000 0.303 200 W C 2.024 178.568 176.519 0.041 0.000 1.208 200 W CA 0.369 57.722 57.345 0.014 0.000 1.274 200 W CB -1.251 28.219 29.460 0.017 0.000 1.138 200 W HN 0.042 nan 8.180 nan 0.000 0.515 201 N N 0.277 119.110 118.700 0.222 0.000 2.120 201 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 201 N C 1.774 177.414 175.510 0.215 0.000 1.024 201 N CA 1.360 54.545 53.050 0.225 0.000 0.852 201 N CB -0.707 37.888 38.487 0.181 0.000 1.003 201 N HN 0.222 nan 8.380 nan 0.000 0.424 202 R N 0.432 120.920 120.500 -0.021 0.000 2.096 202 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 202 R C 1.879 178.213 176.300 0.056 0.000 1.127 202 R CA 1.039 57.121 56.100 -0.029 0.000 0.968 202 R CB -0.145 30.054 30.300 -0.169 0.000 0.861 202 R HN 0.210 nan 8.270 nan 0.000 0.440 203 E N 0.703 120.962 120.200 0.097 0.000 2.106 203 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 203 E C 1.526 178.201 176.600 0.125 0.000 0.984 203 E CA 1.005 57.469 56.400 0.107 0.000 0.806 203 E CB -0.252 29.536 29.700 0.146 0.000 0.750 203 E HN 0.284 nan 8.360 nan 0.000 0.458 204 F N -0.022 119.962 119.950 0.057 0.000 2.102 204 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 204 F C 1.915 177.726 175.800 0.019 0.000 1.105 204 F CA 1.447 59.473 58.000 0.044 0.000 1.239 204 F CB -0.491 38.554 39.000 0.076 0.000 0.991 204 F HN -0.063 nan 8.300 nan 0.000 0.474 205 V N 1.170 121.021 119.914 -0.105 0.000 2.407 205 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 205 V C 2.634 178.598 176.094 -0.217 0.000 1.055 205 V CA 2.233 64.388 62.300 -0.241 0.000 1.049 205 V CB -0.802 31.017 31.823 -0.007 0.000 0.662 205 V HN 0.373 nan 8.190 nan 0.000 0.455 206 R N 0.219 120.648 120.500 -0.118 0.000 2.115 206 R HA -0.128 4.212 4.340 -0.000 0.000 0.226 206 R C 2.200 178.434 176.300 -0.111 0.000 1.100 206 R CA 1.896 57.944 56.100 -0.086 0.000 0.980 206 R CB -0.075 30.204 30.300 -0.034 0.000 0.875 206 R HN 0.696 nan 8.270 nan 0.000 0.445 207 T N -3.275 111.194 114.554 -0.142 0.000 2.971 207 T HA 0.113 4.463 4.350 -0.000 0.000 0.252 207 T C 0.755 175.342 174.700 -0.188 0.000 1.022 207 T CA -0.083 61.943 62.100 -0.124 0.000 0.980 207 T CB 0.273 69.105 68.868 -0.061 0.000 1.044 207 T HN 0.052 nan 8.240 nan 0.000 0.501 208 S N 2.655 118.137 115.700 -0.362 0.000 2.560 208 S HA 0.198 4.668 4.470 -0.000 0.000 0.284 208 S C -1.335 173.119 174.600 -0.244 0.000 1.327 208 S CA -0.996 56.957 58.200 -0.412 0.000 1.055 208 S CB 0.816 63.464 63.200 -0.920 0.000 0.868 208 S HN 0.098 nan 8.310 nan 0.000 0.506 209 P HA 0.002 nan 4.420 nan 0.000 0.218 209 P C 0.503 177.732 177.300 -0.117 0.000 1.148 209 P CA 1.308 64.343 63.100 -0.110 0.000 0.822 209 P CB 0.049 31.706 31.700 -0.072 0.000 0.784 210 A N -0.936 121.812 122.820 -0.119 0.000 2.507 210 A HA 0.421 4.741 4.320 -0.000 0.000 0.270 210 A C 2.039 179.497 177.584 -0.211 0.000 1.318 210 A CA 0.374 52.332 52.037 -0.132 0.000 0.924 210 A CB -1.105 17.882 19.000 -0.023 0.000 1.061 210 A HN 0.200 nan 8.150 nan 0.000 0.516 211 G N 0.147 108.806 108.800 -0.235 0.000 2.450 211 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.220 211 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.220 211 G C 1.618 176.389 174.900 -0.216 0.000 1.130 211 G CA 1.160 46.103 45.100 -0.260 0.000 0.760 211 G HN 0.721 nan 8.290 nan 0.000 0.557 212 A N 0.701 123.400 122.820 -0.201 0.000 1.940 212 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 212 A C 2.301 179.746 177.584 -0.232 0.000 1.176 212 A CA 1.891 53.824 52.037 -0.173 0.000 0.631 212 A CB -0.457 18.460 19.000 -0.140 0.000 0.814 212 A HN 0.393 nan 8.150 nan 0.000 0.446 213 R N -1.683 118.585 120.500 -0.387 0.000 2.096 213 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 213 R C 1.001 176.952 176.300 -0.583 0.000 1.127 213 R CA 1.777 57.538 56.100 -0.565 0.000 0.968 213 R CB -0.267 29.494 30.300 -0.899 0.000 0.861 213 R HN 0.665 nan 8.270 nan 0.000 0.440 214 Y N -0.685 119.489 120.300 -0.209 0.000 2.485 214 Y HA 0.202 4.752 4.550 -0.000 0.000 0.260 214 Y C 1.651 177.428 175.900 -0.204 0.000 1.173 214 Y CA -0.392 57.502 58.100 -0.344 0.000 1.252 214 Y CB 0.452 38.363 38.460 -0.916 0.000 1.123 214 Y HN 0.151 nan 8.280 nan 0.000 0.524 215 E N 1.031 121.205 120.200 -0.044 0.000 2.107 215 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 215 E C 2.319 178.949 176.600 0.051 0.000 0.982 215 E CA 0.952 57.350 56.400 -0.003 0.000 0.809 215 E CB 0.060 29.735 29.700 -0.042 0.000 0.756 215 E HN 0.491 nan 8.360 nan 0.000 0.459 216 A N 0.828 123.676 122.820 0.046 0.000 1.877 216 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 216 A C 2.084 179.734 177.584 0.110 0.000 1.186 216 A CA 1.113 53.187 52.037 0.062 0.000 0.620 216 A CB -0.578 18.449 19.000 0.046 0.000 0.822 216 A HN 0.317 nan 8.150 nan 0.000 0.443 217 L N -0.323 121.014 121.223 0.189 0.000 2.093 217 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 217 L C 2.652 179.669 176.870 0.246 0.000 1.085 217 L CA 1.972 56.963 54.840 0.252 0.000 0.755 217 L CB -0.888 41.423 42.059 0.420 0.000 0.904 217 L HN 0.348 nan 8.230 nan 0.000 0.435 218 A N -1.496 121.548 122.820 0.375 0.000 1.908 218 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 218 A C 2.267 179.964 177.584 0.188 0.000 1.181 218 A CA 2.391 54.639 52.037 0.352 0.000 0.627 218 A CB -1.199 18.007 19.000 0.343 0.000 0.818 218 A HN 0.494 nan 8.150 nan 0.000 0.445 219 T N -0.365 114.258 114.554 0.116 0.000 2.821 219 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 219 T C 1.780 176.476 174.700 -0.005 0.000 1.046 219 T CA 1.402 63.540 62.100 0.063 0.000 1.139 219 T CB -0.219 68.677 68.868 0.047 0.000 0.871 219 T HN 0.599 nan 8.240 nan 0.000 0.454 220 E N 0.486 120.660 120.200 -0.042 0.000 2.058 220 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 220 E C 2.162 178.523 176.600 -0.399 0.000 0.997 220 E CA 1.046 57.364 56.400 -0.136 0.000 0.801 220 E CB -0.259 29.396 29.700 -0.074 0.000 0.746 220 E HN 0.493 nan 8.360 nan 0.000 0.450 221 I N 0.974 121.203 120.570 -0.568 0.000 2.226 221 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 221 I C 2.285 178.116 176.117 -0.478 0.000 1.100 221 I CA 1.299 62.147 61.300 -0.754 0.000 1.374 221 I CB -0.207 37.476 38.000 -0.527 0.000 1.057 221 I HN 0.069 nan 8.210 nan 0.000 0.413 222 D N 0.798 121.059 120.400 -0.232 0.000 2.117 222 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 222 D C 2.345 178.607 176.300 -0.064 0.000 0.987 222 D CA 1.471 55.424 54.000 -0.079 0.000 0.829 222 D CB 0.088 41.017 40.800 0.217 0.000 0.961 222 D HN 0.124 nan 8.370 nan 0.000 0.460 223 R N -0.599 119.869 120.500 -0.053 0.000 2.115 223 R HA 0.074 4.413 4.340 -0.000 0.000 0.226 223 R C 2.459 178.772 176.300 0.022 0.000 1.100 223 R CA 1.054 57.147 56.100 -0.012 0.000 0.980 223 R CB -0.338 29.947 30.300 -0.024 0.000 0.875 223 R HN 0.212 nan 8.270 nan 0.000 0.445 224 G N 0.942 109.735 108.800 -0.011 0.000 2.422 224 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 224 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 224 G C 1.399 176.366 174.900 0.113 0.000 1.146 224 G CA 0.350 45.526 45.100 0.128 0.000 0.769 224 G HN 0.125 nan 8.290 nan 0.000 0.547 225 L N -0.334 120.863 121.223 -0.043 0.000 2.027 225 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 225 L C 3.228 180.133 176.870 0.059 0.000 1.074 225 L CA 0.988 55.788 54.840 -0.068 0.000 0.745 225 L CB -0.251 41.669 42.059 -0.233 0.000 0.898 225 L HN 0.175 nan 8.230 nan 0.000 0.433 226 R N -1.172 119.379 120.500 0.085 0.000 2.120 226 R HA -0.201 4.138 4.340 -0.000 0.000 0.234 226 R C 2.180 178.590 176.300 0.184 0.000 1.123 226 R CA 1.285 57.461 56.100 0.126 0.000 0.975 226 R CB -0.388 29.975 30.300 0.104 0.000 0.866 226 R HN 0.202 nan 8.270 nan 0.000 0.446 227 F N 1.459 121.420 119.950 0.019 0.000 2.171 227 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 227 F C 2.006 177.821 175.800 0.025 0.000 1.090 227 F CA 1.290 59.304 58.000 0.023 0.000 1.293 227 F CB -0.183 38.833 39.000 0.027 0.000 1.013 227 F HN -0.089 nan 8.300 nan 0.000 0.486 228 M N -0.713 118.895 119.600 0.012 0.000 2.086 228 M HA -0.240 4.240 4.480 -0.000 0.000 0.261 228 M C 2.277 178.544 176.300 -0.056 0.000 1.067 228 M CA 2.038 57.286 55.300 -0.085 0.000 1.116 228 M CB -0.786 31.808 32.600 -0.011 0.000 1.348 228 M HN 0.025 nan 8.290 nan 0.000 0.407 229 S N 0.896 116.612 115.700 0.026 0.000 2.370 229 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 229 S C 2.135 176.731 174.600 -0.006 0.000 1.033 229 S CA 1.376 59.589 58.200 0.021 0.000 1.011 229 S CB -0.551 62.678 63.200 0.048 0.000 0.852 229 S HN 0.569 nan 8.310 nan 0.000 0.457 230 A N 0.395 123.222 122.820 0.013 0.000 1.940 230 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 230 A C 2.207 179.764 177.584 -0.045 0.000 1.176 230 A CA 1.576 53.626 52.037 0.022 0.000 0.631 230 A CB -1.114 17.958 19.000 0.120 0.000 0.814 230 A HN 0.627 nan 8.150 nan 0.000 0.446 231 C N -1.287 117.921 119.300 -0.152 0.000 2.576 231 C HA 0.423 4.883 4.460 -0.000 0.000 0.267 231 C C 1.947 176.866 174.990 -0.118 0.000 1.364 231 C CA 0.171 59.071 59.018 -0.198 0.000 1.723 231 C CB -1.240 26.259 27.740 -0.402 0.000 1.778 231 C HN 1.102 nan 8.230 nan 0.000 0.572 232 G N 1.047 109.799 108.800 -0.080 0.000 2.160 232 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.251 232 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.251 232 G C 0.214 175.083 174.900 -0.051 0.000 1.008 232 G CA 0.718 45.787 45.100 -0.052 0.000 0.724 232 G HN 0.864 nan 8.290 nan 0.000 0.514 233 V N -4.185 115.690 119.914 -0.065 0.000 3.842 233 V HA 0.949 5.069 4.120 -0.000 0.000 0.281 233 V C 1.409 177.490 176.094 -0.022 0.000 1.228 233 V CA 0.291 62.563 62.300 -0.047 0.000 0.897 233 V CB 1.131 32.916 31.823 -0.064 0.000 1.257 233 V HN 2.368 nan 8.190 nan 0.000 0.451 234 A N -0.030 122.790 122.820 0.001 0.000 3.201 234 A HA -0.086 4.234 4.320 -0.000 0.000 0.268 234 A C -0.242 177.366 177.584 0.041 0.000 1.372 234 A CA 0.895 52.964 52.037 0.054 0.000 0.753 234 A CB -2.712 16.334 19.000 0.077 0.000 1.029 234 A HN 1.105 nan 8.150 nan 0.000 0.498 235 D N -1.251 119.164 120.400 0.024 0.000 2.574 235 D HA 0.518 5.158 4.640 -0.000 0.000 0.210 235 D C 1.635 177.948 176.300 0.021 0.000 1.277 235 D CA -0.125 53.883 54.000 0.014 0.000 1.121 235 D CB 0.138 40.937 40.800 -0.001 0.000 1.192 235 D HN 0.424 nan 8.370 nan 0.000 0.602 236 R N 0.671 121.177 120.500 0.009 0.000 2.120 236 R HA 0.038 4.378 4.340 -0.000 0.000 0.234 236 R C 1.262 177.569 176.300 0.011 0.000 1.123 236 R CA 1.215 57.320 56.100 0.009 0.000 0.975 236 R CB -0.526 29.776 30.300 0.003 0.000 0.866 236 R HN 0.138 nan 8.270 nan 0.000 0.446 237 N N 1.063 119.768 118.700 0.010 0.000 2.272 237 N HA -0.098 4.642 4.740 -0.000 0.000 0.185 237 N C 1.467 176.983 175.510 0.010 0.000 1.014 237 N CA 1.212 54.266 53.050 0.008 0.000 0.870 237 N CB -0.009 38.480 38.487 0.004 0.000 0.975 237 N HN 0.363 nan 8.380 nan 0.000 0.433 238 L N 0.605 121.841 121.223 0.021 0.000 2.554 238 L HA 0.039 4.379 4.340 -0.000 0.000 0.226 238 L C 1.682 178.575 176.870 0.038 0.000 1.137 238 L CA 0.356 55.210 54.840 0.024 0.000 0.863 238 L CB -0.040 42.053 42.059 0.057 0.000 0.985 238 L HN -0.031 nan 8.230 nan 0.000 0.451 239 Q N -0.019 119.801 119.800 0.034 0.000 2.398 239 Q HA 0.078 4.418 4.340 -0.000 0.000 0.204 239 Q C 0.972 176.981 176.000 0.015 0.000 0.932 239 Q CA 0.655 56.476 55.803 0.030 0.000 0.916 239 Q CB 0.454 29.205 28.738 0.021 0.000 1.024 239 Q HN 0.541 nan 8.270 nan 0.000 0.504 240 T N -2.957 111.603 114.554 0.009 0.000 2.864 240 T HA 0.851 5.201 4.350 -0.000 0.000 0.299 240 T C -1.115 173.584 174.700 -0.003 0.000 1.166 240 T CA -0.600 61.501 62.100 0.002 0.000 1.007 240 T CB 2.362 71.227 68.868 -0.004 0.000 1.219 240 T HN 0.045 nan 8.240 nan 0.000 0.506 241 A N 0.667 123.481 122.820 -0.010 0.000 2.556 241 A HA 0.753 5.073 4.320 -0.000 0.000 0.294 241 A C -1.043 176.507 177.584 -0.055 0.000 1.091 241 A CA -0.987 51.041 52.037 -0.016 0.000 0.704 241 A CB 1.340 20.342 19.000 0.003 0.000 1.300 241 A HN 0.879 nan 8.150 nan 0.000 0.406 242 E N 0.892 121.042 120.200 -0.083 0.000 2.167 242 E HA 0.455 4.805 4.350 -0.000 0.000 0.284 242 E C -1.133 175.329 176.600 -0.231 0.000 1.016 242 E CA 0.020 56.279 56.400 -0.235 0.000 0.817 242 E CB 1.341 30.850 29.700 -0.318 0.000 1.080 242 E HN 0.473 nan 8.360 nan 0.000 0.397 243 I N 4.227 124.645 120.570 -0.254 0.000 2.354 243 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 243 I C -0.636 175.353 176.117 -0.214 0.000 1.007 243 I CA -0.707 60.514 61.300 -0.132 0.000 1.167 243 I CB 0.428 38.410 38.000 -0.031 0.000 1.320 243 I HN 0.449 nan 8.210 nan 0.000 0.458 244 Y N 4.306 124.590 120.300 -0.026 0.000 2.316 244 Y HA 0.565 5.115 4.550 -0.000 0.000 0.324 244 Y C 0.722 176.746 175.900 0.206 0.000 1.267 244 Y CA -0.509 57.584 58.100 -0.011 0.000 1.311 244 Y CB 1.035 39.414 38.460 -0.135 0.000 1.267 244 Y HN 0.553 nan 8.280 nan 0.000 0.516 245 A N 1.537 124.743 122.820 0.644 0.000 2.317 245 A HA 0.735 5.055 4.320 -0.000 0.000 0.327 245 A C -0.551 177.235 177.584 0.336 0.000 1.178 245 A CA -0.303 51.963 52.037 0.382 0.000 0.817 245 A CB 0.454 19.616 19.000 0.270 0.000 1.189 245 A HN 0.731 nan 8.150 nan 0.000 0.489 246 S N 1.671 117.541 115.700 0.284 0.000 2.579 246 S HA 0.899 5.369 4.470 -0.000 0.000 0.272 246 S C -0.858 173.916 174.600 0.290 0.000 1.141 246 S CA -0.621 57.736 58.200 0.262 0.000 0.843 246 S CB 1.629 65.034 63.200 0.343 0.000 1.122 246 S HN 1.466 nan 8.310 nan 0.000 0.468 247 H N -0.514 118.546 119.070 -0.016 0.000 2.981 247 H HA 0.475 5.031 4.556 -0.000 0.000 0.327 247 H C -1.318 173.275 175.328 -1.225 0.000 1.342 247 H CA -0.623 55.176 56.048 -0.414 0.000 1.123 247 H CB 1.050 30.690 29.762 -0.204 0.000 1.851 247 H HN 0.831 nan 8.280 nan 0.000 0.531 248 E N 1.056 120.360 120.200 -1.494 0.000 2.328 248 E HA 0.344 4.694 4.350 -0.000 0.000 0.265 248 E C -0.313 175.985 176.600 -0.504 0.000 1.057 248 E CA -0.356 55.191 56.400 -1.423 0.000 0.916 248 E CB 0.357 29.563 29.700 -0.823 0.000 0.993 248 E HN 0.601 nan 8.360 nan 0.000 0.446 249 A N 5.551 128.105 122.820 -0.443 0.000 2.545 249 A HA 0.099 4.419 4.320 -0.000 0.000 0.297 249 A C 0.175 177.745 177.584 -0.024 0.000 1.340 249 A CA -0.175 51.789 52.037 -0.121 0.000 1.016 249 A CB 0.048 19.015 19.000 -0.055 0.000 1.122 249 A HN 0.717 nan 8.150 nan 0.000 0.537 250 L N 3.924 125.156 121.223 0.016 0.000 2.638 250 L HA 0.285 4.624 4.340 -0.000 0.000 0.195 250 L C 0.470 177.411 176.870 0.119 0.000 1.065 250 L CA 1.104 55.975 54.840 0.052 0.000 0.859 250 L CB 0.358 42.378 42.059 -0.064 0.000 1.269 250 L HN 0.297 nan 8.230 nan 0.000 0.484 251 V N 2.862 122.803 119.914 0.046 0.000 2.356 251 V HA 0.100 4.220 4.120 -0.000 0.000 0.258 251 V C 1.453 177.568 176.094 0.034 0.000 1.065 251 V CA 0.101 62.432 62.300 0.052 0.000 0.935 251 V CB 0.601 32.480 31.823 0.093 0.000 1.061 251 V HN 0.320 nan 8.190 nan 0.000 0.484 252 L N 1.974 123.148 121.223 -0.081 0.000 2.217 252 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 252 L C 2.014 178.832 176.870 -0.086 0.000 1.107 252 L CA 0.850 55.544 54.840 -0.243 0.000 0.783 252 L CB -0.229 41.609 42.059 -0.369 0.000 0.919 252 L HN 0.576 nan 8.230 nan 0.000 0.442 253 D N -0.408 120.036 120.400 0.075 0.000 2.123 253 D HA -0.260 4.380 4.640 -0.000 0.000 0.196 253 D C 1.860 178.247 176.300 0.145 0.000 0.992 253 D CA 1.493 55.580 54.000 0.146 0.000 0.833 253 D CB -0.144 40.836 40.800 0.300 0.000 0.954 253 D HN 0.302 nan 8.370 nan 0.000 0.455 254 Y N 1.862 122.200 120.300 0.063 0.000 2.133 254 Y HA -0.174 4.376 4.550 -0.000 0.000 0.287 254 Y C 2.196 178.124 175.900 0.047 0.000 1.134 254 Y CA 1.500 59.637 58.100 0.062 0.000 1.133 254 Y CB 0.036 38.551 38.460 0.093 0.000 0.987 254 Y HN -0.162 nan 8.280 nan 0.000 0.502 255 E N 0.666 120.915 120.200 0.081 0.000 2.077 255 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 255 E C 2.273 178.916 176.600 0.072 0.000 0.989 255 E CA 1.724 58.124 56.400 -0.000 0.000 0.800 255 E CB -0.537 28.994 29.700 -0.282 0.000 0.746 255 E HN 0.686 nan 8.360 nan 0.000 0.452 256 R N 0.872 121.375 120.500 0.004 0.000 2.115 256 R HA 0.087 4.427 4.340 -0.000 0.000 0.230 256 R C 2.147 178.490 176.300 0.073 0.000 1.111 256 R CA 1.359 57.554 56.100 0.160 0.000 0.976 256 R CB -0.409 29.958 30.300 0.111 0.000 0.870 256 R HN 0.066 nan 8.270 nan 0.000 0.445 257 A N 1.242 124.055 122.820 -0.012 0.000 2.014 257 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 257 A C 1.905 179.427 177.584 -0.104 0.000 1.163 257 A CA 0.797 52.796 52.037 -0.063 0.000 0.652 257 A CB -0.092 18.853 19.000 -0.092 0.000 0.808 257 A HN 0.235 nan 8.150 nan 0.000 0.449 258 M N 0.006 119.529 119.600 -0.129 0.000 2.563 258 M HA 0.290 4.770 4.480 -0.000 0.000 0.231 258 M C 0.012 176.315 176.300 0.004 0.000 1.136 258 M CA -0.015 55.215 55.300 -0.118 0.000 1.026 258 M CB -1.098 31.373 32.600 -0.214 0.000 1.597 258 M HN 0.217 nan 8.290 nan 0.000 0.495 259 L N 1.897 123.150 121.223 0.050 0.000 2.453 259 L HA 0.106 4.446 4.340 -0.000 0.000 0.272 259 L C 0.502 177.400 176.870 0.047 0.000 1.182 259 L CA 0.260 55.143 54.840 0.071 0.000 0.858 259 L CB 0.192 42.297 42.059 0.076 0.000 1.120 259 L HN 0.124 nan 8.230 nan 0.000 0.474 260 R N 2.859 123.404 120.500 0.075 0.000 2.808 260 R HA 0.539 4.879 4.340 -0.000 0.000 0.272 260 R C -1.261 175.108 176.300 0.115 0.000 0.995 260 R CA -1.134 55.008 56.100 0.069 0.000 0.917 260 R CB 2.036 32.367 30.300 0.051 0.000 1.217 260 R HN 0.326 nan 8.270 nan 0.000 0.471 261 L N 1.337 122.612 121.223 0.087 0.000 2.292 261 L HA 0.326 4.666 4.340 -0.000 0.000 0.284 261 L C 0.317 177.258 176.870 0.119 0.000 1.065 261 L CA 0.096 55.001 54.840 0.107 0.000 0.806 261 L CB 1.330 43.424 42.059 0.057 0.000 1.175 261 L HN 0.814 nan 8.230 nan 0.000 0.431 262 S N 1.503 117.317 115.700 0.190 0.000 2.593 262 S HA 0.128 4.598 4.470 -0.000 0.000 0.269 262 S C 0.738 175.375 174.600 0.062 0.000 1.334 262 S CA 0.089 58.354 58.200 0.109 0.000 1.015 262 S CB 0.809 64.119 63.200 0.182 0.000 0.912 262 S HN 0.767 nan 8.310 nan 0.000 0.541 263 D N 0.399 120.813 120.400 0.024 0.000 2.269 263 D HA 0.241 4.881 4.640 -0.000 0.000 0.208 263 D C 1.183 177.497 176.300 0.023 0.000 0.963 263 D CA 0.741 54.752 54.000 0.017 0.000 0.864 263 D CB -1.077 39.724 40.800 0.002 0.000 0.936 263 D HN 1.218 nan 8.370 nan 0.000 0.505 270 Q N 0.553 120.425 119.800 0.120 0.000 2.484 270 Q HA 0.606 4.946 4.340 -0.000 0.000 0.285 270 Q C -0.786 175.210 176.000 -0.007 0.000 1.097 270 Q CA -1.146 54.647 55.803 -0.018 0.000 0.802 270 Q CB 2.388 31.007 28.738 -0.199 0.000 1.444 270 Q HN 0.348 nan 8.270 nan 0.000 0.429 271 L N 1.964 123.104 121.223 -0.138 0.000 2.361 271 L HA 0.307 4.647 4.340 -0.000 0.000 0.278 271 L C -1.100 175.602 176.870 -0.280 0.000 1.113 271 L CA 0.189 54.959 54.840 -0.117 0.000 0.849 271 L CB 0.071 42.041 42.059 -0.148 0.000 1.155 271 L HN 0.457 nan 8.230 nan 0.000 0.452 272 F N 1.481 121.407 119.950 -0.040 0.000 2.520 272 F HA 0.228 4.755 4.527 -0.000 0.000 0.322 272 F C 0.374 176.162 175.800 -0.019 0.000 1.103 272 F CA -0.925 57.058 58.000 -0.028 0.000 0.926 272 F CB 1.472 40.472 39.000 0.001 0.000 1.154 272 F HN 0.331 nan 8.300 nan 0.000 0.453 273 D N 3.747 124.242 120.400 0.158 0.000 2.352 273 D HA 0.160 4.800 4.640 -0.000 0.000 0.245 273 D C 0.234 176.634 176.300 0.167 0.000 1.224 273 D CA 0.257 54.357 54.000 0.167 0.000 0.879 273 D CB 0.643 41.567 40.800 0.207 0.000 1.057 273 D HN 0.527 nan 8.370 nan 0.000 0.491 274 L N 3.193 124.489 121.223 0.122 0.000 2.728 274 L HA 0.036 4.376 4.340 -0.000 0.000 0.235 274 L C 1.892 178.806 176.870 0.072 0.000 1.197 274 L CA -0.081 54.804 54.840 0.076 0.000 0.992 274 L CB -0.153 41.933 42.059 0.046 0.000 1.263 274 L HN 0.330 nan 8.230 nan 0.000 0.484 275 S N -0.870 114.897 115.700 0.113 0.000 2.527 275 S HA 0.300 4.770 4.470 -0.000 0.000 0.222 275 S C 0.753 175.507 174.600 0.258 0.000 0.985 275 S CA 0.268 58.584 58.200 0.194 0.000 0.921 275 S CB 0.312 63.668 63.200 0.259 0.000 0.772 275 S HN 0.339 nan 8.310 nan 0.000 0.529 276 A N -0.309 122.598 122.820 0.145 0.000 2.536 276 A HA 0.685 5.005 4.320 -0.000 0.000 0.293 276 A C -0.232 177.335 177.584 -0.029 0.000 1.119 276 A CA -0.556 51.529 52.037 0.080 0.000 0.654 276 A CB -0.149 18.935 19.000 0.140 0.000 1.291 276 A HN 0.274 nan 8.150 nan 0.000 0.439 277 H N -0.624 118.552 119.070 0.175 0.000 2.399 277 H HA 0.300 4.856 4.556 -0.000 0.000 0.300 277 H C 0.755 176.151 175.328 0.113 0.000 1.048 277 H CA 1.797 57.947 56.048 0.170 0.000 1.370 277 H CB 0.518 30.434 29.762 0.256 0.000 1.428 277 H HN 0.613 nan 8.280 nan 0.000 0.534 278 T N 0.520 115.201 114.554 0.212 0.000 2.916 278 T HA 0.531 4.881 4.350 -0.000 0.000 0.305 278 T C -1.436 173.308 174.700 0.074 0.000 1.119 278 T CA -0.612 61.563 62.100 0.126 0.000 1.008 278 T CB 1.041 69.969 68.868 0.100 0.000 1.129 278 T HN 0.123 nan 8.240 nan 0.000 0.480 279 V N 1.841 121.780 119.914 0.040 0.000 3.040 279 V HA 1.035 5.155 4.120 -0.000 0.000 0.312 279 V C -1.242 174.918 176.094 0.110 0.000 1.115 279 V CA -1.234 61.018 62.300 -0.080 0.000 0.998 279 V CB 1.561 33.244 31.823 -0.232 0.000 1.042 279 V HN 1.096 nan 8.190 nan 0.000 0.433 280 W N 1.977 123.261 121.300 -0.028 0.000 2.902 280 W HA 0.932 5.592 4.660 -0.000 0.000 0.346 280 W C -1.568 174.938 176.519 -0.023 0.000 1.139 280 W CA -1.355 55.978 57.345 -0.019 0.000 1.139 280 W CB 1.168 30.628 29.460 0.000 0.000 1.439 280 W HN 0.500 nan 8.180 nan 0.000 0.558 281 I N 3.019 123.679 120.570 0.150 0.000 2.354 281 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 281 I C 0.915 177.098 176.117 0.109 0.000 0.989 281 I CA -0.769 60.544 61.300 0.022 0.000 1.188 281 I CB 0.417 38.416 38.000 -0.001 0.000 1.342 281 I HN 0.817 nan 8.210 nan 0.000 0.457 282 G N 3.451 112.262 108.800 0.018 0.000 2.616 282 G HA2 0.161 4.121 3.960 -0.000 0.000 0.268 282 G HA3 0.161 4.121 3.960 -0.000 0.000 0.268 282 G C 0.717 175.591 174.900 -0.044 0.000 1.213 282 G CA -0.126 44.998 45.100 0.039 0.000 0.926 282 G HN 0.720 nan 8.290 nan 0.000 0.523 283 E N -0.473 119.699 120.200 -0.047 0.000 2.153 283 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 283 E C 2.328 178.906 176.600 -0.036 0.000 0.988 283 E CA 1.156 57.532 56.400 -0.040 0.000 0.811 283 E CB 0.064 29.739 29.700 -0.041 0.000 0.746 283 E HN 0.442 nan 8.360 nan 0.000 0.466 284 R N -1.232 119.230 120.500 -0.062 0.000 2.300 284 R HA 0.135 4.475 4.340 -0.000 0.000 0.199 284 R C 0.924 177.166 176.300 -0.097 0.000 0.920 284 R CA 1.280 57.342 56.100 -0.063 0.000 1.046 284 R CB 0.492 30.753 30.300 -0.065 0.000 0.984 284 R HN 0.242 nan 8.270 nan 0.000 0.493 285 T N -3.054 111.407 114.554 -0.156 0.000 3.275 285 T HA 0.117 4.467 4.350 -0.000 0.000 0.298 285 T C 0.723 175.344 174.700 -0.132 0.000 0.988 285 T CA -0.638 61.302 62.100 -0.267 0.000 0.936 285 T CB 0.136 68.552 68.868 -0.753 0.000 1.159 285 T HN 0.188 nan 8.240 nan 0.000 0.519 286 R N 0.757 121.236 120.500 -0.035 0.000 2.480 286 R HA 0.369 4.709 4.340 -0.000 0.000 0.277 286 R C -0.508 175.903 176.300 0.185 0.000 1.008 286 R CA -0.612 55.513 56.100 0.041 0.000 1.090 286 R CB -0.440 29.823 30.300 -0.063 0.000 1.234 286 R HN 0.189 nan 8.270 nan 0.000 0.549 287 Q N 0.947 120.826 119.800 0.132 0.000 2.269 287 Q HA -0.060 4.280 4.340 -0.000 0.000 0.300 287 Q C 0.911 177.008 176.000 0.161 0.000 1.070 287 Q CA 0.041 55.922 55.803 0.131 0.000 0.957 287 Q CB 0.658 29.449 28.738 0.089 0.000 1.131 287 Q HN 0.296 nan 8.270 nan 0.000 0.377 288 I N 1.978 122.626 120.570 0.130 0.000 2.264 288 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 288 I C 0.512 176.673 176.117 0.073 0.000 1.111 288 I CA 1.648 63.004 61.300 0.093 0.000 1.382 288 I CB 0.155 38.115 38.000 -0.067 0.000 1.060 288 I HN 0.624 nan 8.210 nan 0.000 0.418 289 D N 0.618 121.052 120.400 0.056 0.000 2.427 289 D HA 0.233 4.873 4.640 -0.000 0.000 0.224 289 D C 0.703 177.039 176.300 0.062 0.000 1.157 289 D CA 0.256 54.284 54.000 0.047 0.000 0.828 289 D CB -0.115 40.701 40.800 0.027 0.000 0.974 289 D HN 0.352 nan 8.370 nan 0.000 0.498 290 G N -0.242 108.612 108.800 0.091 0.000 2.522 290 G HA2 0.421 4.381 3.960 -0.000 0.000 0.304 290 G HA3 0.421 4.381 3.960 -0.000 0.000 0.304 290 G C 1.035 175.997 174.900 0.103 0.000 1.210 290 G CA -0.088 45.075 45.100 0.104 0.000 0.960 290 G HN 0.060 nan 8.290 nan 0.000 0.497 291 A N -0.827 122.039 122.820 0.076 0.000 1.968 291 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 291 A C 1.964 179.550 177.584 0.004 0.000 1.169 291 A CA 1.822 53.864 52.037 0.009 0.000 0.638 291 A CB -0.662 18.287 19.000 -0.085 0.000 0.812 291 A HN 0.746 nan 8.150 nan 0.000 0.446 292 H N -0.198 118.911 119.070 0.065 0.000 2.326 292 H HA -0.053 4.503 4.556 -0.000 0.000 0.301 292 H C 1.931 177.335 175.328 0.126 0.000 1.081 292 H CA 1.719 57.812 56.048 0.075 0.000 1.334 292 H CB -0.117 29.655 29.762 0.017 0.000 1.385 292 H HN 0.333 nan 8.280 nan 0.000 0.504 293 I N 0.739 121.445 120.570 0.226 0.000 2.226 293 I HA -0.226 3.943 4.170 -0.000 0.000 0.245 293 I C 2.568 178.763 176.117 0.130 0.000 1.100 293 I CA 1.338 62.738 61.300 0.167 0.000 1.374 293 I CB -1.430 36.684 38.000 0.189 0.000 1.057 293 I HN 0.298 nan 8.210 nan 0.000 0.413 294 A N 0.380 123.273 122.820 0.121 0.000 1.933 294 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 294 A C 2.322 179.958 177.584 0.087 0.000 1.175 294 A CA 1.465 53.552 52.037 0.082 0.000 0.628 294 A CB -1.066 17.976 19.000 0.070 0.000 0.814 294 A HN 0.393 nan 8.150 nan 0.000 0.444 295 F N 0.851 120.791 119.950 -0.016 0.000 2.146 295 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 295 F C 2.492 178.281 175.800 -0.019 0.000 1.096 295 F CA 1.236 59.220 58.000 -0.028 0.000 1.275 295 F CB -0.314 38.655 39.000 -0.052 0.000 1.008 295 F HN 0.240 nan 8.300 nan 0.000 0.480 296 A N -0.186 122.704 122.820 0.117 0.000 1.972 296 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 296 A C 2.205 179.739 177.584 -0.084 0.000 1.169 296 A CA 1.703 53.746 52.037 0.011 0.000 0.635 296 A CB -1.010 18.040 19.000 0.082 0.000 0.810 296 A HN 0.617 nan 8.150 nan 0.000 0.446 297 Q N 0.059 119.826 119.800 -0.057 0.000 2.124 297 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 297 Q C 1.938 177.858 176.000 -0.133 0.000 0.977 297 Q CA 2.336 58.092 55.803 -0.078 0.000 0.850 297 Q CB -0.280 28.434 28.738 -0.039 0.000 0.901 297 Q HN 0.687 nan 8.270 nan 0.000 0.429 298 V N -0.685 119.116 119.914 -0.187 0.000 2.649 298 V HA 0.085 4.205 4.120 -0.000 0.000 0.248 298 V C 1.427 177.349 176.094 -0.286 0.000 1.054 298 V CA 0.561 62.732 62.300 -0.215 0.000 1.073 298 V CB -0.957 30.740 31.823 -0.211 0.000 0.699 298 V HN 0.372 nan 8.190 nan 0.000 0.463 299 I N -0.908 119.431 120.570 -0.385 0.000 2.720 299 I HA 0.659 4.829 4.170 -0.000 0.000 0.287 299 I C 1.386 177.306 176.117 -0.328 0.000 1.090 299 I CA 0.080 61.147 61.300 -0.388 0.000 1.384 299 I CB 1.369 39.107 38.000 -0.437 0.000 1.420 299 I HN 0.023 nan 8.210 nan 0.000 0.575 300 A N 3.878 126.410 122.820 -0.480 0.000 2.132 300 A HA 0.112 4.432 4.320 -0.000 0.000 0.213 300 A C 0.791 178.203 177.584 -0.287 0.000 1.154 300 A CA 0.086 51.803 52.037 -0.534 0.000 0.753 300 A CB -0.979 17.327 19.000 -1.156 0.000 0.826 300 A HN 0.885 nan 8.150 nan 0.000 0.469 301 N N 1.334 119.948 118.700 -0.144 0.000 2.395 301 N HA 0.267 5.007 4.740 -0.000 0.000 0.246 301 N C -2.818 172.700 175.510 0.013 0.000 1.246 301 N CA -0.651 52.431 53.050 0.054 0.000 0.879 301 N CB -0.159 38.385 38.487 0.094 0.000 1.098 301 N HN 0.119 nan 8.380 nan 0.000 0.444 302 P HA 0.010 nan 4.420 nan 0.000 0.265 302 P C -0.703 176.610 177.300 0.021 0.000 1.193 302 P CA -0.135 62.969 63.100 0.008 0.000 0.765 302 P CB 0.505 32.199 31.700 -0.010 0.000 0.823 303 V N 0.494 120.415 119.914 0.010 0.000 2.914 303 V HA 0.984 5.104 4.120 -0.000 0.000 0.314 303 V C -0.038 176.077 176.094 0.034 0.000 1.084 303 V CA -0.899 61.423 62.300 0.037 0.000 0.963 303 V CB 2.018 33.855 31.823 0.024 0.000 1.025 303 V HN 0.625 nan 8.190 nan 0.000 0.432 304 G N 0.650 109.509 108.800 0.099 0.000 2.481 304 G HA2 0.684 4.644 3.960 -0.000 0.000 0.315 304 G HA3 0.684 4.644 3.960 -0.000 0.000 0.315 304 G C -1.494 173.449 174.900 0.071 0.000 1.231 304 G CA -0.899 44.248 45.100 0.079 0.000 0.968 304 G HN 1.097 nan 8.290 nan 0.000 0.482 305 V N 2.260 122.149 119.914 -0.041 0.000 2.525 305 V HA 0.351 4.471 4.120 -0.000 0.000 0.299 305 V C -0.601 175.425 176.094 -0.114 0.000 1.034 305 V CA -1.290 60.929 62.300 -0.135 0.000 0.863 305 V CB 1.787 33.373 31.823 -0.396 0.000 0.999 305 V HN 0.604 nan 8.190 nan 0.000 0.423 306 K N 5.175 125.530 120.400 -0.076 0.000 2.412 306 K HA 0.446 4.765 4.320 -0.000 0.000 0.281 306 K C -0.713 175.853 176.600 -0.057 0.000 1.027 306 K CA 0.092 56.327 56.287 -0.086 0.000 0.989 306 K CB 0.862 33.307 32.500 -0.092 0.000 0.935 306 K HN 0.531 nan 8.250 nan 0.000 0.475 307 L N 2.499 123.717 121.223 -0.008 0.000 2.345 307 L HA 0.368 4.708 4.340 -0.000 0.000 0.274 307 L C 0.803 177.703 176.870 0.049 0.000 0.999 307 L CA -0.789 54.082 54.840 0.051 0.000 0.849 307 L CB 1.729 43.859 42.059 0.117 0.000 1.220 307 L HN 0.650 nan 8.230 nan 0.000 0.422 308 G N 2.283 111.108 108.800 0.042 0.000 2.557 308 G HA2 0.452 4.412 3.960 -0.000 0.000 0.302 308 G HA3 0.452 4.412 3.960 -0.000 0.000 0.302 308 G C -1.800 173.123 174.900 0.038 0.000 1.311 308 G CA -1.015 44.106 45.100 0.036 0.000 1.030 308 G HN 0.391 nan 8.290 nan 0.000 0.509 309 P HA -0.066 nan 4.420 nan 0.000 0.225 309 P C 0.979 178.289 177.300 0.017 0.000 1.148 309 P CA 0.691 63.797 63.100 0.009 0.000 0.779 309 P CB 0.230 31.925 31.700 -0.008 0.000 0.780 310 N N -0.834 117.883 118.700 0.028 0.000 2.515 310 N HA 0.007 4.747 4.740 -0.000 0.000 0.185 310 N C 0.845 176.379 175.510 0.040 0.000 1.109 310 N CA 0.137 53.205 53.050 0.030 0.000 0.903 310 N CB -0.592 37.914 38.487 0.032 0.000 0.969 310 N HN 0.192 nan 8.380 nan 0.000 0.450 311 M N 1.673 121.306 119.600 0.055 0.000 2.251 311 M HA -0.024 4.456 4.480 -0.000 0.000 0.343 311 M C 0.334 176.664 176.300 0.051 0.000 1.245 311 M CA -0.024 55.321 55.300 0.075 0.000 1.061 311 M CB 0.312 32.976 32.600 0.107 0.000 1.723 311 M HN 0.139 nan 8.290 nan 0.000 0.449 312 T N 3.205 117.785 114.554 0.043 0.000 2.925 312 T HA 0.598 4.947 4.350 -0.000 0.000 0.285 312 T C -2.174 172.546 174.700 0.034 0.000 1.021 312 T CA -1.789 60.326 62.100 0.024 0.000 1.042 312 T CB 1.162 70.033 68.868 0.005 0.000 1.037 312 T HN 0.522 nan 8.240 nan 0.000 0.481 313 P HA -0.088 nan 4.420 nan 0.000 0.217 313 P C 1.069 178.382 177.300 0.021 0.000 1.148 313 P CA 1.077 64.200 63.100 0.038 0.000 0.828 313 P CB 0.126 31.838 31.700 0.021 0.000 0.783 314 E N -0.996 119.200 120.200 -0.005 0.000 2.072 314 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 314 E C 1.822 178.378 176.600 -0.074 0.000 0.982 314 E CA 0.597 56.978 56.400 -0.031 0.000 0.803 314 E CB -1.125 28.555 29.700 -0.033 0.000 0.755 314 E HN 0.093 nan 8.360 nan 0.000 0.453 315 L N 0.625 121.794 121.223 -0.089 0.000 2.093 315 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 315 L C 2.022 178.736 176.870 -0.261 0.000 1.085 315 L CA 1.828 56.540 54.840 -0.214 0.000 0.755 315 L CB -0.870 41.087 42.059 -0.171 0.000 0.904 315 L HN 0.112 nan 8.230 nan 0.000 0.435 316 A N -1.008 121.803 122.820 -0.015 0.000 1.892 316 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 316 A C 2.282 179.897 177.584 0.052 0.000 1.188 316 A CA 2.244 54.362 52.037 0.135 0.000 0.631 316 A CB -1.179 17.932 19.000 0.186 0.000 0.822 316 A HN 0.299 nan 8.150 nan 0.000 0.447 317 V N 0.099 120.007 119.914 -0.010 0.000 2.343 317 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 317 V C 2.401 178.433 176.094 -0.103 0.000 1.051 317 V CA 2.270 64.541 62.300 -0.049 0.000 1.036 317 V CB -0.893 30.906 31.823 -0.039 0.000 0.654 317 V HN 0.638 nan 8.190 nan 0.000 0.451 318 E N -0.775 119.329 120.200 -0.160 0.000 2.085 318 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 318 E C 2.206 178.705 176.600 -0.168 0.000 0.994 318 E CA 1.758 58.037 56.400 -0.202 0.000 0.801 318 E CB -0.255 29.268 29.700 -0.294 0.000 0.743 318 E HN 0.686 nan 8.360 nan 0.000 0.453 319 Y N 0.367 120.640 120.300 -0.044 0.000 2.181 319 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 319 Y C 2.397 178.243 175.900 -0.090 0.000 1.146 319 Y CA 0.563 58.633 58.100 -0.049 0.000 1.164 319 Y CB -0.923 37.518 38.460 -0.031 0.000 0.982 319 Y HN -0.108 nan 8.280 nan 0.000 0.515 320 V N 0.122 120.045 119.914 0.016 0.000 2.287 320 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 320 V C 2.069 178.032 176.094 -0.218 0.000 1.053 320 V CA 2.206 64.422 62.300 -0.141 0.000 1.027 320 V CB -0.573 31.106 31.823 -0.241 0.000 0.646 320 V HN 0.403 nan 8.190 nan 0.000 0.447 321 E N -0.600 119.486 120.200 -0.189 0.000 2.106 321 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 321 E C 2.526 179.079 176.600 -0.078 0.000 0.984 321 E CA 0.705 57.017 56.400 -0.146 0.000 0.806 321 E CB -0.089 29.546 29.700 -0.109 0.000 0.750 321 E HN 0.408 nan 8.360 nan 0.000 0.458 322 R N 0.191 120.664 120.500 -0.046 0.000 2.073 322 R HA 0.003 4.343 4.340 -0.000 0.000 0.229 322 R C 2.158 178.438 176.300 -0.033 0.000 1.120 322 R CA 0.894 56.981 56.100 -0.022 0.000 0.967 322 R CB -0.192 30.125 30.300 0.029 0.000 0.862 322 R HN 0.251 nan 8.270 nan 0.000 0.436 323 L N -0.355 120.858 121.223 -0.017 0.000 2.590 323 L HA 0.135 4.475 4.340 -0.000 0.000 0.227 323 L C 0.251 177.092 176.870 -0.049 0.000 1.099 323 L CA 0.182 55.005 54.840 -0.027 0.000 0.872 323 L CB 0.236 42.298 42.059 0.005 0.000 1.088 323 L HN -0.062 nan 8.230 nan 0.000 0.479 324 D N -0.001 120.375 120.400 -0.039 0.000 2.886 324 D HA 0.139 4.779 4.640 -0.000 0.000 0.355 324 D C -1.516 174.813 176.300 0.048 0.000 1.274 324 D CA -1.756 52.254 54.000 0.017 0.000 0.836 324 D CB 0.690 41.565 40.800 0.125 0.000 1.109 324 D HN -0.069 nan 8.370 nan 0.000 0.488 325 P HA -0.140 nan 4.420 nan 0.000 0.219 325 P C 0.528 177.769 177.300 -0.097 0.000 1.146 325 P CA 1.195 64.195 63.100 -0.166 0.000 0.808 325 P CB 0.036 31.501 31.700 -0.393 0.000 0.779 326 H N -1.795 117.302 119.070 0.044 0.000 2.529 326 H HA 0.161 4.717 4.556 -0.000 0.000 0.277 326 H C 0.280 175.578 175.328 -0.051 0.000 1.004 326 H CA -0.467 55.578 56.048 -0.005 0.000 1.167 326 H CB -0.359 29.393 29.762 -0.018 0.000 1.445 326 H HN -0.035 nan 8.280 nan 0.000 0.554 327 N N 2.187 120.889 118.700 0.004 0.000 2.671 327 N HA -0.171 4.569 4.740 -0.000 0.000 0.261 327 N C -1.299 174.172 175.510 -0.064 0.000 1.053 327 N CA 0.326 53.259 53.050 -0.195 0.000 0.732 327 N CB -0.604 37.625 38.487 -0.431 0.000 0.887 327 N HN 0.271 nan 8.380 nan 0.000 0.546 328 K N 1.434 121.837 120.400 0.005 0.000 2.334 328 K HA 0.412 4.732 4.320 -0.000 0.000 0.265 328 K C -2.389 174.208 176.600 -0.006 0.000 1.039 328 K CA -1.708 54.583 56.287 0.006 0.000 0.920 328 K CB 1.091 33.610 32.500 0.031 0.000 1.160 328 K HN 0.192 nan 8.250 nan 0.000 0.451 329 P HA -0.032 nan 4.420 nan 0.000 0.262 329 P C 0.869 178.151 177.300 -0.031 0.000 1.182 329 P CA 0.883 63.968 63.100 -0.025 0.000 0.761 329 P CB 0.515 32.200 31.700 -0.026 0.000 0.795 330 G N 3.422 112.194 108.800 -0.046 0.000 2.199 330 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 330 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 330 G C 1.302 176.170 174.900 -0.054 0.000 0.982 330 G CA 0.526 45.591 45.100 -0.058 0.000 0.632 330 G HN 0.618 nan 8.290 nan 0.000 0.529 331 R N 0.064 120.543 120.500 -0.036 0.000 2.096 331 R HA 0.227 4.567 4.340 -0.000 0.000 0.235 331 R C 1.123 177.399 176.300 -0.040 0.000 1.127 331 R CA 1.819 57.902 56.100 -0.028 0.000 0.968 331 R CB -0.279 30.014 30.300 -0.012 0.000 0.861 331 R HN 0.818 nan 8.270 nan 0.000 0.440 332 L N 0.898 122.087 121.223 -0.057 0.000 2.313 332 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 332 L C -1.310 175.480 176.870 -0.134 0.000 1.013 332 L CA -0.184 54.608 54.840 -0.080 0.000 0.816 332 L CB 2.198 44.210 42.059 -0.078 0.000 1.236 332 L HN 0.106 nan 8.230 nan 0.000 0.419 333 T N 6.213 120.693 114.554 -0.123 0.000 2.779 333 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 333 T C -0.325 174.280 174.700 -0.158 0.000 0.987 333 T CA -0.328 61.678 62.100 -0.157 0.000 0.966 333 T CB 0.859 69.665 68.868 -0.104 0.000 0.933 333 T HN 0.418 nan 8.240 nan 0.000 0.442 334 L N 3.533 124.621 121.223 -0.225 0.000 2.265 334 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 334 L C -0.454 176.430 176.870 0.024 0.000 1.033 334 L CA -1.024 53.741 54.840 -0.125 0.000 0.814 334 L CB 1.329 43.260 42.059 -0.212 0.000 1.203 334 L HN 0.354 nan 8.230 nan 0.000 0.423 335 V N 2.302 122.220 119.914 0.007 0.000 2.318 335 V HA 0.154 4.274 4.120 -0.000 0.000 0.271 335 V C 0.543 176.656 176.094 0.033 0.000 1.030 335 V CA -0.301 61.994 62.300 -0.009 0.000 0.844 335 V CB 1.240 32.989 31.823 -0.125 0.000 1.015 335 V HN 0.787 nan 8.190 nan 0.000 0.460 336 S N 5.315 121.085 115.700 0.116 0.000 2.505 336 S HA 0.492 4.962 4.470 -0.000 0.000 0.276 336 S C 0.207 174.824 174.600 0.029 0.000 1.274 336 S CA -0.656 57.624 58.200 0.133 0.000 1.053 336 S CB -0.045 63.328 63.200 0.288 0.000 0.919 336 S HN 0.829 nan 8.310 nan 0.000 0.490 337 R N 4.501 125.018 120.500 0.029 0.000 2.629 337 R HA 0.396 4.735 4.340 -0.000 0.000 0.275 337 R C 0.014 176.335 176.300 0.036 0.000 1.719 337 R CA -0.360 55.753 56.100 0.021 0.000 1.472 337 R CB 0.024 30.334 30.300 0.017 0.000 1.237 337 R HN 0.434 nan 8.270 nan 0.000 0.589 338 M N 0.512 120.132 119.600 0.033 0.000 2.514 338 M HA 0.346 4.826 4.480 -0.000 0.000 0.258 338 M C 0.465 176.751 176.300 -0.024 0.000 1.159 338 M CA 0.715 56.017 55.300 0.003 0.000 1.116 338 M CB -0.094 32.499 32.600 -0.012 0.000 1.333 338 M HN 0.846 nan 8.290 nan 0.000 0.487 339 G N 2.839 111.660 108.800 0.034 0.000 2.895 339 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.686 339 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.686 339 G C 0.371 175.325 174.900 0.090 0.000 1.108 339 G CA -0.046 45.119 45.100 0.109 0.000 0.761 339 G HN 0.443 nan 8.290 nan 0.000 0.611 340 N N 1.223 120.053 118.700 0.216 0.000 2.289 340 N HA -0.206 4.534 4.740 -0.000 0.000 0.184 340 N C 1.660 177.265 175.510 0.159 0.000 1.016 340 N CA 2.299 55.442 53.050 0.156 0.000 0.872 340 N CB -0.499 38.065 38.487 0.129 0.000 0.973 340 N HN 1.027 nan 8.380 nan 0.000 0.433 341 H N -0.351 118.735 119.070 0.026 0.000 2.547 341 H HA 0.216 4.772 4.556 -0.000 0.000 0.272 341 H C 0.734 176.073 175.328 0.018 0.000 0.989 341 H CA 0.547 56.606 56.048 0.019 0.000 1.214 341 H CB -0.073 29.699 29.762 0.016 0.000 1.389 341 H HN 0.317 nan 8.280 nan 0.000 0.577 342 K N 0.133 120.329 120.400 -0.339 0.000 2.435 342 K HA 0.126 4.446 4.320 -0.000 0.000 0.199 342 K C 1.967 178.498 176.600 -0.115 0.000 1.153 342 K CA 0.491 56.623 56.287 -0.259 0.000 0.974 342 K CB 0.860 33.139 32.500 -0.368 0.000 0.997 342 K HN 0.020 nan 8.250 nan 0.000 0.547 343 V N 2.221 122.097 119.914 -0.064 0.000 2.332 343 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 343 V C 1.912 177.985 176.094 -0.034 0.000 1.055 343 V CA 1.891 64.183 62.300 -0.013 0.000 1.038 343 V CB -0.186 31.672 31.823 0.058 0.000 0.651 343 V HN 0.244 nan 8.190 nan 0.000 0.450 344 R N -0.361 120.122 120.500 -0.029 0.000 2.148 344 R HA -0.108 4.232 4.340 -0.000 0.000 0.227 344 R C 1.975 178.236 176.300 -0.065 0.000 1.103 344 R CA 1.691 57.763 56.100 -0.047 0.000 0.983 344 R CB -0.303 29.985 30.300 -0.022 0.000 0.874 344 R HN 0.583 nan 8.270 nan 0.000 0.451 345 D N 0.160 120.526 120.400 -0.057 0.000 2.201 345 D HA -0.009 4.631 4.640 -0.000 0.000 0.209 345 D C 1.913 178.174 176.300 -0.064 0.000 0.961 345 D CA 0.901 54.867 54.000 -0.057 0.000 0.861 345 D CB 0.187 40.959 40.800 -0.047 0.000 0.997 345 D HN 0.156 nan 8.370 nan 0.000 0.486 346 L N 0.270 121.455 121.223 -0.064 0.000 2.249 346 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 346 L C 2.232 179.064 176.870 -0.064 0.000 1.090 346 L CA 0.132 54.940 54.840 -0.054 0.000 0.802 346 L CB 0.014 42.047 42.059 -0.043 0.000 0.947 346 L HN 0.011 nan 8.230 nan 0.000 0.453 347 L N 0.838 122.006 121.223 -0.091 0.000 2.072 347 L HA 0.006 4.346 4.340 -0.000 0.000 0.205 347 L C -0.518 176.211 176.870 -0.235 0.000 1.079 347 L CA 1.789 56.542 54.840 -0.145 0.000 0.752 347 L CB -1.329 40.629 42.059 -0.169 0.000 0.906 347 L HN 0.020 nan 8.230 nan 0.000 0.436 348 P HA -0.135 nan 4.420 nan 0.000 0.215 348 P C -1.416 175.774 177.300 -0.183 0.000 1.157 348 P CA 2.114 65.065 63.100 -0.248 0.000 0.874 348 P CB -1.339 30.249 31.700 -0.185 0.000 0.790 349 P HA -0.081 nan 4.420 nan 0.000 0.221 349 P C 1.591 178.860 177.300 -0.052 0.000 1.150 349 P CA 1.240 64.296 63.100 -0.073 0.000 0.800 349 P CB -0.451 31.221 31.700 -0.047 0.000 0.787 350 I N -0.809 119.727 120.570 -0.057 0.000 2.202 350 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 350 I C 2.458 178.584 176.117 0.015 0.000 1.091 350 I CA 1.081 62.391 61.300 0.017 0.000 1.368 350 I CB -0.748 37.289 38.000 0.062 0.000 1.058 350 I HN -0.203 nan 8.210 nan 0.000 0.410 351 V N 0.923 120.690 119.914 -0.245 0.000 2.287 351 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 351 V C 2.379 178.418 176.094 -0.091 0.000 1.053 351 V CA 1.987 64.009 62.300 -0.463 0.000 1.027 351 V CB -0.715 30.580 31.823 -0.880 0.000 0.646 351 V HN 0.439 nan 8.190 nan 0.000 0.447 352 E N -0.102 120.040 120.200 -0.097 0.000 2.058 352 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 352 E C 2.253 178.874 176.600 0.035 0.000 0.997 352 E CA 1.595 57.978 56.400 -0.029 0.000 0.801 352 E CB -0.173 29.499 29.700 -0.046 0.000 0.746 352 E HN 0.402 nan 8.360 nan 0.000 0.450 353 K N 0.696 121.121 120.400 0.042 0.000 2.057 353 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 353 K C 1.940 178.600 176.600 0.100 0.000 1.050 353 K CA 0.756 57.077 56.287 0.058 0.000 0.935 353 K CB -0.191 32.336 32.500 0.045 0.000 0.715 353 K HN -0.064 nan 8.250 nan 0.000 0.439 354 V N 1.075 121.095 119.914 0.177 0.000 2.358 354 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 354 V C 2.284 178.515 176.094 0.228 0.000 1.047 354 V CA 1.556 63.993 62.300 0.228 0.000 1.035 354 V CB -0.444 31.628 31.823 0.415 0.000 0.658 354 V HN 0.394 nan 8.190 nan 0.000 0.452 355 Q N 0.047 120.006 119.800 0.265 0.000 2.135 355 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 355 Q C 2.340 178.423 176.000 0.138 0.000 0.981 355 Q CA 1.854 57.785 55.803 0.212 0.000 0.856 355 Q CB -0.673 28.172 28.738 0.177 0.000 0.902 355 Q HN 0.658 nan 8.270 nan 0.000 0.425 356 A N 0.879 123.763 122.820 0.107 0.000 2.172 356 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 356 A C 2.172 179.808 177.584 0.086 0.000 1.154 356 A CA 1.645 53.728 52.037 0.078 0.000 0.701 356 A CB -0.608 18.424 19.000 0.054 0.000 0.789 356 A HN 0.524 nan 8.150 nan 0.000 0.465 357 T N -4.341 110.279 114.554 0.110 0.000 2.995 357 T HA 0.298 4.648 4.350 -0.000 0.000 0.269 357 T C 1.652 176.490 174.700 0.230 0.000 1.091 357 T CA 1.302 63.489 62.100 0.144 0.000 1.128 357 T CB -0.218 68.702 68.868 0.086 0.000 0.891 357 T HN 1.586 nan 8.240 nan 0.000 0.492 358 G N 0.804 109.709 108.800 0.175 0.000 2.217 358 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 358 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 358 G C 0.111 175.066 174.900 0.091 0.000 0.990 358 G CA 0.147 45.315 45.100 0.113 0.000 0.627 358 G HN 0.746 nan 8.290 nan 0.000 0.522 359 H N 0.785 119.869 119.070 0.024 0.000 2.607 359 H HA 0.388 4.944 4.556 -0.000 0.000 0.367 359 H C 0.164 175.493 175.328 0.001 0.000 1.181 359 H CA 0.283 56.333 56.048 0.005 0.000 1.402 359 H CB 0.562 30.317 29.762 -0.011 0.000 1.474 359 H HN 0.337 nan 8.280 nan 0.000 0.596 360 Q N 2.299 122.144 119.800 0.075 0.000 2.506 360 Q HA 0.263 4.603 4.340 -0.000 0.000 0.242 360 Q C -0.165 175.805 176.000 -0.051 0.000 1.060 360 Q CA -0.595 55.219 55.803 0.019 0.000 0.826 360 Q CB 1.625 30.366 28.738 0.004 0.000 1.169 360 Q HN 0.397 nan 8.270 nan 0.000 0.521 361 V N -0.078 119.740 119.914 -0.160 0.000 3.036 361 V HA 0.537 4.656 4.120 -0.000 0.000 0.308 361 V C 0.115 175.974 176.094 -0.391 0.000 1.070 361 V CA -0.808 61.293 62.300 -0.332 0.000 1.056 361 V CB 0.974 32.441 31.823 -0.594 0.000 1.084 361 V HN 0.541 nan 8.190 nan 0.000 0.471 362 I N 1.758 122.119 120.570 -0.348 0.000 2.365 362 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 362 I C -0.720 175.184 176.117 -0.356 0.000 1.004 362 I CA 0.013 61.161 61.300 -0.254 0.000 1.311 362 I CB 1.058 38.972 38.000 -0.144 0.000 1.401 362 I HN 0.696 nan 8.210 nan 0.000 0.491 363 W N 6.371 127.664 121.300 -0.012 0.000 2.308 363 W HA 0.434 5.094 4.660 -0.000 0.000 0.311 363 W C 0.157 176.758 176.519 0.136 0.000 1.088 363 W CA -0.370 57.021 57.345 0.077 0.000 1.309 363 W CB 0.636 30.088 29.460 -0.013 0.000 1.229 363 W HN 0.410 nan 8.180 nan 0.000 0.427 364 Q N 3.315 123.283 119.800 0.280 0.000 2.353 364 Q HA 0.448 4.788 4.340 -0.000 0.000 0.268 364 Q C -0.990 174.864 176.000 -0.244 0.000 1.045 364 Q CA -0.763 55.016 55.803 -0.039 0.000 0.811 364 Q CB 2.088 30.756 28.738 -0.118 0.000 1.305 364 Q HN 0.606 nan 8.270 nan 0.000 0.447 365 C N 3.777 122.606 119.300 -0.784 0.000 2.303 365 C HA 0.331 4.791 4.460 -0.000 0.000 0.341 365 C C -0.426 174.346 174.990 -0.363 0.000 1.244 365 C CA -0.396 58.096 59.018 -0.878 0.000 1.765 365 C CB 0.029 26.916 27.740 -1.421 0.000 2.379 365 C HN 0.803 nan 8.230 nan 0.000 0.530 366 D N 7.633 127.901 120.400 -0.220 0.000 2.456 366 D HA 0.298 4.938 4.640 -0.000 0.000 0.219 366 D C -1.488 174.753 176.300 -0.099 0.000 1.126 366 D CA -2.115 51.798 54.000 -0.146 0.000 0.890 366 D CB 1.214 41.912 40.800 -0.171 0.000 1.025 366 D HN 0.459 nan 8.370 nan 0.000 0.511 367 P HA 0.030 nan 4.420 nan 0.000 0.257 367 P C 0.954 178.223 177.300 -0.052 0.000 1.281 367 P CA 0.136 63.203 63.100 -0.056 0.000 0.826 367 P CB 0.325 31.992 31.700 -0.056 0.000 1.237 368 M N -1.102 118.436 119.600 -0.104 0.000 2.556 368 M HA 0.066 4.546 4.480 -0.000 0.000 0.259 368 M C 1.844 178.034 176.300 -0.182 0.000 1.175 368 M CA 1.475 56.663 55.300 -0.187 0.000 1.202 368 M CB -1.537 30.837 32.600 -0.376 0.000 1.298 368 M HN 0.088 nan 8.290 nan 0.000 0.492 369 H N 0.042 119.092 119.070 -0.034 0.000 2.502 369 H HA 0.108 4.664 4.556 -0.000 0.000 0.283 369 H C 1.944 177.283 175.328 0.017 0.000 1.015 369 H CA 1.163 57.201 56.048 -0.017 0.000 1.298 369 H CB -0.181 29.548 29.762 -0.054 0.000 1.411 369 H HN 0.489 nan 8.280 nan 0.000 0.556 370 G N -0.643 108.226 108.800 0.115 0.000 3.141 370 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.218 370 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.218 370 G C 0.587 175.571 174.900 0.140 0.000 1.170 370 G CA -0.088 45.081 45.100 0.115 0.000 0.769 370 G HN 0.262 nan 8.290 nan 0.000 0.546 371 N N 0.566 119.332 118.700 0.110 0.000 2.433 371 N HA 0.096 4.836 4.740 -0.000 0.000 0.270 371 N C -0.464 175.127 175.510 0.135 0.000 1.354 371 N CA -0.012 53.114 53.050 0.127 0.000 0.889 371 N CB 1.203 39.753 38.487 0.105 0.000 1.285 371 N HN -0.027 nan 8.380 nan 0.000 0.503 372 T N 1.189 115.816 114.554 0.122 0.000 2.837 372 T HA 0.307 4.657 4.350 -0.000 0.000 0.285 372 T C 0.054 174.853 174.700 0.165 0.000 0.984 372 T CA -0.316 61.849 62.100 0.108 0.000 1.049 372 T CB 1.477 70.387 68.868 0.070 0.000 0.947 372 T HN 0.301 nan 8.240 nan 0.000 0.472 373 H N 0.531 119.612 119.070 0.018 0.000 2.960 373 H HA 0.542 5.098 4.556 -0.000 0.000 0.338 373 H C -1.367 173.971 175.328 0.016 0.000 1.261 373 H CA -0.988 55.069 56.048 0.015 0.000 1.136 373 H CB 1.569 31.335 29.762 0.007 0.000 1.875 373 H HN 0.543 nan 8.280 nan 0.000 0.550 374 E N 1.354 121.551 120.200 -0.005 0.000 2.175 374 E HA 0.289 4.639 4.350 -0.000 0.000 0.278 374 E C -0.314 176.287 176.600 0.001 0.000 0.969 374 E CA -0.671 55.691 56.400 -0.065 0.000 0.796 374 E CB 1.478 31.176 29.700 -0.003 0.000 1.104 374 E HN 0.685 nan 8.360 nan 0.000 0.395 375 S N 1.975 117.644 115.700 -0.051 0.000 2.603 375 S HA 0.018 4.488 4.470 -0.000 0.000 0.268 375 S C 1.274 175.910 174.600 0.060 0.000 1.317 375 S CA 0.036 58.266 58.200 0.050 0.000 1.012 375 S CB 1.499 64.740 63.200 0.067 0.000 0.926 375 S HN 0.584 nan 8.310 nan 0.000 0.539 376 S N 0.483 116.231 115.700 0.080 0.000 2.419 376 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 376 S C 1.600 176.220 174.600 0.033 0.000 1.016 376 S CA 1.178 59.409 58.200 0.052 0.000 0.974 376 S CB -1.613 61.622 63.200 0.057 0.000 0.786 376 S HN 1.060 nan 8.310 nan 0.000 0.492 377 T N -2.655 111.936 114.554 0.063 0.000 3.194 377 T HA 0.535 4.885 4.350 -0.000 0.000 0.251 377 T C 1.546 176.218 174.700 -0.047 0.000 1.132 377 T CA 0.570 62.711 62.100 0.069 0.000 1.028 377 T CB -0.185 68.792 68.868 0.183 0.000 0.976 377 T HN 1.036 nan 8.240 nan 0.000 0.535 378 G N 0.913 109.652 108.800 -0.102 0.000 2.279 378 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.223 378 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.223 378 G C -0.090 174.607 174.900 -0.339 0.000 1.015 378 G CA -0.496 44.440 45.100 -0.273 0.000 0.621 378 G HN 0.533 nan 8.290 nan 0.000 0.506 379 F N 2.308 122.128 119.950 -0.217 0.000 2.443 379 F HA 0.474 5.001 4.527 -0.000 0.000 0.353 379 F C 1.038 176.701 175.800 -0.228 0.000 1.101 379 F CA 0.118 57.904 58.000 -0.357 0.000 1.226 379 F CB 0.971 39.658 39.000 -0.522 0.000 1.140 379 F HN 0.088 nan 8.300 nan 0.000 0.557 380 K N 2.375 122.784 120.400 0.014 0.000 2.412 380 K HA 0.197 4.517 4.320 -0.000 0.000 0.284 380 K C -0.241 176.422 176.600 0.104 0.000 1.046 380 K CA 0.221 56.539 56.287 0.051 0.000 0.999 380 K CB 0.424 32.997 32.500 0.121 0.000 0.941 380 K HN 0.783 nan 8.250 nan 0.000 0.474 381 T N 3.343 117.822 114.554 -0.125 0.000 2.812 381 T HA 0.573 4.923 4.350 -0.000 0.000 0.294 381 T C -1.488 173.061 174.700 -0.252 0.000 1.159 381 T CA -0.870 61.136 62.100 -0.155 0.000 1.008 381 T CB 0.979 69.722 68.868 -0.209 0.000 1.289 381 T HN 0.695 nan 8.240 nan 0.000 0.514 382 R N 1.176 121.615 120.500 -0.103 0.000 2.621 382 R HA 0.411 4.751 4.340 -0.000 0.000 0.284 382 R C -1.082 175.267 176.300 0.082 0.000 0.998 382 R CA -0.917 55.202 56.100 0.031 0.000 0.895 382 R CB 1.177 31.504 30.300 0.046 0.000 1.195 382 R HN 0.603 nan 8.270 nan 0.000 0.450 383 H N 3.233 122.457 119.070 0.257 0.000 2.742 383 H HA 0.014 4.570 4.556 -0.000 0.000 0.302 383 H C 0.717 176.158 175.328 0.188 0.000 1.069 383 H CA -0.044 56.131 56.048 0.211 0.000 1.446 383 H CB 0.742 30.586 29.762 0.135 0.000 1.462 383 H HN 0.576 nan 8.280 nan 0.000 0.499 384 F N 3.232 123.296 119.950 0.189 0.000 2.154 384 F HA -0.261 4.265 4.527 -0.000 0.000 0.301 384 F C 1.459 177.328 175.800 0.115 0.000 1.087 384 F CA 1.679 59.753 58.000 0.124 0.000 1.274 384 F CB 0.208 39.272 39.000 0.107 0.000 1.009 384 F HN 0.494 nan 8.300 nan 0.000 0.485 385 D N -0.340 120.151 120.400 0.152 0.000 2.178 385 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 385 D C 2.394 178.680 176.300 -0.022 0.000 0.974 385 D CA 0.992 55.004 54.000 0.020 0.000 0.841 385 D CB -0.314 40.524 40.800 0.064 0.000 0.953 385 D HN 0.365 nan 8.370 nan 0.000 0.478 386 R N 0.032 120.556 120.500 0.041 0.000 2.090 386 R HA 0.079 4.419 4.340 -0.000 0.000 0.228 386 R C 2.466 178.773 176.300 0.012 0.000 1.110 386 R CA 0.383 56.511 56.100 0.047 0.000 0.973 386 R CB -0.116 30.249 30.300 0.109 0.000 0.869 386 R HN 0.211 nan 8.270 nan 0.000 0.440 387 I N 0.291 120.843 120.570 -0.030 0.000 2.127 387 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 387 I C 2.263 178.295 176.117 -0.141 0.000 1.075 387 I CA 1.342 62.591 61.300 -0.085 0.000 1.334 387 I CB -0.318 37.616 38.000 -0.110 0.000 1.040 387 I HN -0.040 nan 8.210 nan 0.000 0.405 388 V N 0.696 120.445 119.914 -0.276 0.000 2.332 388 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 388 V C 2.164 178.215 176.094 -0.071 0.000 1.055 388 V CA 2.389 64.550 62.300 -0.231 0.000 1.038 388 V CB -0.692 30.928 31.823 -0.338 0.000 0.651 388 V HN 0.469 nan 8.190 nan 0.000 0.450 389 D N -0.287 120.088 120.400 -0.042 0.000 2.144 389 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 389 D C 2.184 178.520 176.300 0.060 0.000 0.984 389 D CA 1.464 55.475 54.000 0.018 0.000 0.834 389 D CB -0.020 40.795 40.800 0.025 0.000 0.955 389 D HN 0.593 nan 8.370 nan 0.000 0.465 390 E N -0.623 119.612 120.200 0.057 0.000 2.072 390 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 390 E C 2.025 178.713 176.600 0.146 0.000 0.985 390 E CA 1.084 57.537 56.400 0.090 0.000 0.801 390 E CB 0.098 29.836 29.700 0.062 0.000 0.750 390 E HN 0.138 nan 8.360 nan 0.000 0.452 391 V N 1.073 121.060 119.914 0.123 0.000 2.287 391 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 391 V C 2.566 178.912 176.094 0.420 0.000 1.053 391 V CA 2.131 64.578 62.300 0.246 0.000 1.027 391 V CB -0.841 31.088 31.823 0.177 0.000 0.646 391 V HN 0.331 nan 8.190 nan 0.000 0.447 392 Q N 1.221 121.157 119.800 0.228 0.000 2.045 392 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 392 Q C 2.185 178.328 176.000 0.238 0.000 0.991 392 Q CA 2.521 58.438 55.803 0.191 0.000 0.851 392 Q CB -1.101 27.686 28.738 0.082 0.000 0.911 392 Q HN 0.559 nan 8.270 nan 0.000 0.418 393 G N -0.744 108.171 108.800 0.190 0.000 2.408 393 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 393 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 393 G C 1.304 176.300 174.900 0.160 0.000 1.150 393 G CA 0.613 45.797 45.100 0.140 0.000 0.776 393 G HN 0.459 nan 8.290 nan 0.000 0.542 394 F N 0.781 120.785 119.950 0.090 0.000 2.075 394 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 394 F C 2.292 178.142 175.800 0.084 0.000 1.113 394 F CA 1.359 59.393 58.000 0.058 0.000 1.218 394 F CB -0.237 38.823 39.000 0.101 0.000 0.984 394 F HN 0.116 nan 8.300 nan 0.000 0.472 395 F N 1.199 121.285 119.950 0.227 0.000 2.126 395 F HA -0.192 4.334 4.527 -0.000 0.000 0.299 395 F C 2.425 178.225 175.800 0.000 0.000 1.096 395 F CA 2.066 60.133 58.000 0.112 0.000 1.255 395 F CB -0.790 38.300 39.000 0.149 0.000 0.997 395 F HN 0.055 nan 8.300 nan 0.000 0.479 396 E N -0.357 119.942 120.200 0.165 0.000 2.110 396 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 396 E C 2.347 178.905 176.600 -0.070 0.000 0.988 396 E CA 1.390 57.820 56.400 0.051 0.000 0.804 396 E CB -0.352 29.376 29.700 0.045 0.000 0.745 396 E HN 0.175 nan 8.360 nan 0.000 0.458 397 V N 1.342 121.145 119.914 -0.184 0.000 2.255 397 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 397 V C 2.170 178.002 176.094 -0.437 0.000 1.051 397 V CA 1.905 63.992 62.300 -0.354 0.000 1.018 397 V CB -0.585 30.925 31.823 -0.522 0.000 0.641 397 V HN 0.367 nan 8.190 nan 0.000 0.445 398 H N 0.139 118.982 119.070 -0.379 0.000 2.357 398 H HA -0.049 4.507 4.556 -0.000 0.000 0.301 398 H C 2.570 177.788 175.328 -0.183 0.000 1.082 398 H CA 1.628 57.457 56.048 -0.366 0.000 1.342 398 H CB -0.162 29.287 29.762 -0.522 0.000 1.389 398 H HN 0.374 nan 8.280 nan 0.000 0.511 399 R N 0.512 121.013 120.500 0.002 0.000 2.096 399 R HA -0.141 4.199 4.340 -0.000 0.000 0.240 399 R C 2.537 178.831 176.300 -0.009 0.000 1.139 399 R CA 1.433 57.550 56.100 0.029 0.000 0.952 399 R CB -0.309 30.028 30.300 0.062 0.000 0.854 399 R HN 0.244 nan 8.270 nan 0.000 0.436 400 A N 0.569 123.361 122.820 -0.047 0.000 1.969 400 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 400 A C 1.993 179.539 177.584 -0.065 0.000 1.169 400 A CA 1.119 53.123 52.037 -0.055 0.000 0.635 400 A CB -0.249 18.705 19.000 -0.076 0.000 0.810 400 A HN 0.214 nan 8.150 nan 0.000 0.445 401 L N -1.519 119.648 121.223 -0.093 0.000 2.567 401 L HA 0.208 4.548 4.340 -0.000 0.000 0.225 401 L C 1.644 178.493 176.870 -0.034 0.000 1.119 401 L CA 0.480 55.269 54.840 -0.085 0.000 0.871 401 L CB -0.078 41.889 42.059 -0.155 0.000 1.036 401 L HN 0.556 nan 8.230 nan 0.000 0.459 402 G N 1.028 109.822 108.800 -0.010 0.000 2.153 402 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 402 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 402 G C 0.388 175.315 174.900 0.046 0.000 0.994 402 G CA 0.581 45.694 45.100 0.021 0.000 0.698 402 G HN 0.410 nan 8.290 nan 0.000 0.521 403 T N -3.023 111.563 114.554 0.053 0.000 2.912 403 T HA 0.577 4.927 4.350 -0.000 0.000 0.280 403 T C -0.056 174.691 174.700 0.079 0.000 0.989 403 T CA -0.384 61.779 62.100 0.104 0.000 0.995 403 T CB 2.043 70.983 68.868 0.120 0.000 1.077 403 T HN 0.491 nan 8.240 nan 0.000 0.531 404 H N 2.082 121.116 119.070 -0.059 0.000 2.652 404 H HA 0.405 4.961 4.556 -0.000 0.000 0.298 404 H C -2.517 172.527 175.328 -0.473 0.000 1.076 404 H CA -2.275 53.692 56.048 -0.136 0.000 1.360 404 H CB 0.651 30.407 29.762 -0.010 0.000 1.421 404 H HN 0.300 nan 8.280 nan 0.000 0.464 405 P HA 0.147 nan 4.420 nan 0.000 0.277 405 P C 0.812 177.710 177.300 -0.671 0.000 1.354 405 P CA -0.008 62.543 63.100 -0.915 0.000 0.891 405 P CB 0.853 31.927 31.700 -1.042 0.000 1.058 406 G N 2.351 110.868 108.800 -0.471 0.000 2.551 406 G HA2 0.373 4.333 3.960 -0.000 0.000 0.216 406 G HA3 0.373 4.333 3.960 -0.000 0.000 0.216 406 G C 0.569 175.051 174.900 -0.697 0.000 1.137 406 G CA 0.447 45.263 45.100 -0.473 0.000 0.798 406 G HN 0.729 nan 8.290 nan 0.000 0.536 407 G N -0.733 107.600 108.800 -0.778 0.000 2.320 407 G HA2 0.457 4.416 3.960 -0.000 0.000 0.296 407 G HA3 0.457 4.416 3.960 -0.000 0.000 0.296 407 G C -1.532 173.023 174.900 -0.575 0.000 1.306 407 G CA -0.385 43.988 45.100 -1.213 0.000 0.836 407 G HN 0.734 nan 8.290 nan 0.000 0.517 408 I N -2.522 117.817 120.570 -0.385 0.000 2.785 408 I HA 0.817 4.987 4.170 -0.000 0.000 0.302 408 I C -0.977 175.066 176.117 -0.124 0.000 1.069 408 I CA -1.133 60.061 61.300 -0.176 0.000 1.045 408 I CB 2.656 40.664 38.000 0.013 0.000 1.236 408 I HN 0.689 nan 8.210 nan 0.000 0.429 409 H N 4.450 123.396 119.070 -0.206 0.000 2.970 409 H HA 0.697 5.253 4.556 -0.000 0.000 0.315 409 H C -1.449 173.789 175.328 -0.149 0.000 0.992 409 H CA -0.767 55.159 56.048 -0.204 0.000 1.363 409 H CB 1.578 31.161 29.762 -0.298 0.000 1.532 409 H HN 0.697 nan 8.280 nan 0.000 0.514 410 V N 1.541 121.551 119.914 0.159 0.000 3.001 410 V HA 0.522 4.642 4.120 -0.000 0.000 0.314 410 V C -0.325 175.824 176.094 0.092 0.000 1.099 410 V CA -1.072 61.272 62.300 0.074 0.000 0.989 410 V CB 2.203 34.044 31.823 0.028 0.000 1.040 410 V HN 0.754 nan 8.190 nan 0.000 0.434 411 E N 3.312 123.526 120.200 0.023 0.000 2.113 411 E HA 0.709 5.059 4.350 -0.000 0.000 0.273 411 E C -0.644 175.960 176.600 0.007 0.000 0.924 411 E CA -0.371 56.043 56.400 0.023 0.000 0.764 411 E CB 1.897 31.586 29.700 -0.017 0.000 1.104 411 E HN 0.813 nan 8.360 nan 0.000 0.406 412 I N -0.778 119.799 120.570 0.012 0.000 3.095 412 I HA 0.740 4.910 4.170 -0.000 0.000 0.310 412 I C -0.799 175.309 176.117 -0.016 0.000 1.196 412 I CA -0.670 60.627 61.300 -0.003 0.000 0.985 412 I CB 2.741 40.738 38.000 -0.005 0.000 1.250 412 I HN 0.314 nan 8.210 nan 0.000 0.446 413 T N 1.103 115.639 114.554 -0.031 0.000 2.894 413 T HA 0.509 4.859 4.350 -0.000 0.000 0.309 413 T C 0.510 175.167 174.700 -0.071 0.000 1.208 413 T CA 0.044 62.116 62.100 -0.046 0.000 1.016 413 T CB 1.626 70.506 68.868 0.020 0.000 1.192 413 T HN 1.006 nan 8.240 nan 0.000 0.491 414 G N 1.668 110.400 108.800 -0.113 0.000 2.744 414 G HA2 0.113 4.073 3.960 -0.000 0.000 0.211 414 G HA3 0.113 4.073 3.960 -0.000 0.000 0.211 414 G C 0.360 175.212 174.900 -0.080 0.000 1.143 414 G CA 0.137 45.165 45.100 -0.119 0.000 0.788 414 G HN 0.660 nan 8.290 nan 0.000 0.534 415 E N 0.587 120.768 120.200 -0.032 0.000 2.366 415 E HA 0.029 4.379 4.350 -0.000 0.000 0.266 415 E C -0.424 176.158 176.600 -0.031 0.000 1.051 415 E CA -0.481 55.913 56.400 -0.010 0.000 0.884 415 E CB 0.835 30.552 29.700 0.029 0.000 1.006 415 E HN 0.052 nan 8.360 nan 0.000 0.417 416 N N 1.917 120.598 118.700 -0.030 0.000 3.303 416 N HA 0.032 4.772 4.740 -0.000 0.000 0.304 416 N C -0.546 174.941 175.510 -0.038 0.000 1.302 416 N CA -0.209 52.822 53.050 -0.032 0.000 1.213 416 N CB -0.409 38.063 38.487 -0.024 0.000 1.481 416 N HN 0.283 nan 8.380 nan 0.000 0.546 417 V N -0.696 119.188 119.914 -0.050 0.000 3.214 417 V HA 0.560 4.680 4.120 -0.000 0.000 0.306 417 V C 0.637 176.687 176.094 -0.074 0.000 1.078 417 V CA -0.541 61.716 62.300 -0.071 0.000 1.077 417 V CB 1.026 32.785 31.823 -0.106 0.000 1.121 417 V HN 0.462 nan 8.190 nan 0.000 0.468 418 T N -1.191 113.311 114.554 -0.086 0.000 3.331 418 T HA 0.572 4.922 4.350 -0.000 0.000 0.381 418 T C 0.017 174.669 174.700 -0.079 0.000 1.656 418 T CA -0.320 61.734 62.100 -0.076 0.000 1.453 418 T CB 0.471 69.294 68.868 -0.075 0.000 1.066 418 T HN 0.839 nan 8.240 nan 0.000 0.655 419 E N 0.329 120.472 120.200 -0.096 0.000 2.367 419 E HA 0.223 4.573 4.350 -0.000 0.000 0.204 419 E C 0.021 176.621 176.600 -0.001 0.000 0.840 419 E CA -0.128 56.205 56.400 -0.112 0.000 1.051 419 E CB 0.739 30.240 29.700 -0.332 0.000 1.051 419 E HN 0.560 nan 8.360 nan 0.000 0.509 420 C N 2.354 121.651 119.300 -0.006 0.000 2.319 420 C HA 0.420 4.880 4.460 -0.000 0.000 0.335 420 C C 0.401 175.425 174.990 0.057 0.000 1.274 420 C CA -0.953 58.090 59.018 0.043 0.000 1.806 420 C CB -0.036 27.757 27.740 0.088 0.000 2.329 420 C HN 0.308 nan 8.230 nan 0.000 0.524 421 L N 3.820 125.091 121.223 0.080 0.000 2.461 421 L HA 0.519 4.859 4.340 -0.000 0.000 0.272 421 L C 1.171 178.158 176.870 0.194 0.000 1.197 421 L CA 1.197 56.113 54.840 0.126 0.000 0.836 421 L CB -0.146 42.011 42.059 0.164 0.000 1.105 421 L HN 1.099 nan 8.230 nan 0.000 0.477 422 G N 1.436 110.320 108.800 0.140 0.000 2.499 422 G HA2 0.234 4.194 3.960 -0.000 0.000 0.232 422 G HA3 0.234 4.194 3.960 -0.000 0.000 0.232 422 G C 0.141 174.996 174.900 -0.075 0.000 1.251 422 G CA -0.355 44.818 45.100 0.121 0.000 0.917 422 G HN 1.559 nan 8.290 nan 0.000 0.580 423 G N -1.975 106.674 108.800 -0.252 0.000 2.782 423 G HA2 0.343 4.303 3.960 -0.000 0.000 0.228 423 G HA3 0.343 4.303 3.960 -0.000 0.000 0.228 423 G C 1.337 176.102 174.900 -0.226 0.000 1.372 423 G CA 1.605 46.287 45.100 -0.697 0.000 0.862 423 G HN 2.490 nan 8.290 nan 0.000 0.547 424 A N -1.011 121.710 122.820 -0.165 0.000 2.019 424 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 424 A C 2.247 179.802 177.584 -0.048 0.000 1.164 424 A CA 2.370 54.383 52.037 -0.040 0.000 0.644 424 A CB -0.356 18.659 19.000 0.025 0.000 0.805 424 A HN 0.791 nan 8.150 nan 0.000 0.449 425 Q N -1.289 118.471 119.800 -0.067 0.000 2.436 425 Q HA -0.045 4.295 4.340 -0.000 0.000 0.209 425 Q C -0.094 175.885 176.000 -0.036 0.000 0.965 425 Q CA 0.414 56.189 55.803 -0.048 0.000 0.910 425 Q CB 0.030 28.739 28.738 -0.048 0.000 0.980 425 Q HN 0.595 nan 8.270 nan 0.000 0.491 426 D N 0.452 120.830 120.400 -0.036 0.000 2.697 426 D HA -0.170 4.470 4.640 -0.000 0.000 0.238 426 D C -0.997 175.305 176.300 0.004 0.000 1.152 426 D CA 0.174 54.172 54.000 -0.004 0.000 0.666 426 D CB -0.733 40.069 40.800 0.003 0.000 1.037 426 D HN 0.120 nan 8.370 nan 0.000 0.423 427 I N 1.138 121.706 120.570 -0.003 0.000 2.662 427 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 427 I C 1.579 177.715 176.117 0.032 0.000 1.161 427 I CA 0.164 61.466 61.300 0.002 0.000 1.415 427 I CB -0.288 37.706 38.000 -0.010 0.000 1.385 427 I HN 0.299 nan 8.210 nan 0.000 0.552 428 S N 5.350 121.065 115.700 0.025 0.000 2.730 428 S HA 0.368 4.837 4.470 -0.000 0.000 0.284 428 S C 0.917 175.538 174.600 0.035 0.000 1.153 428 S CA -0.726 57.501 58.200 0.045 0.000 0.995 428 S CB 1.746 64.968 63.200 0.037 0.000 1.058 428 S HN 0.589 nan 8.310 nan 0.000 0.552 429 E N 0.365 120.600 120.200 0.058 0.000 2.118 429 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 429 E C 1.680 178.303 176.600 0.038 0.000 0.992 429 E CA 1.699 58.134 56.400 0.058 0.000 0.804 429 E CB -0.511 29.243 29.700 0.089 0.000 0.741 429 E HN 0.729 nan 8.360 nan 0.000 0.458 430 T N 1.212 115.787 114.554 0.035 0.000 2.857 430 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 430 T C 1.195 175.891 174.700 -0.008 0.000 1.048 430 T CA 1.110 63.226 62.100 0.028 0.000 1.139 430 T CB -0.169 68.716 68.868 0.029 0.000 0.874 430 T HN 0.085 nan 8.240 nan 0.000 0.455 431 D N 1.338 121.725 120.400 -0.021 0.000 2.218 431 D HA 0.007 4.647 4.640 -0.000 0.000 0.204 431 D C 2.044 178.281 176.300 -0.106 0.000 0.976 431 D CA 0.468 54.441 54.000 -0.044 0.000 0.853 431 D CB -0.347 40.435 40.800 -0.030 0.000 0.939 431 D HN 0.346 nan 8.370 nan 0.000 0.481 432 L N 0.637 121.758 121.223 -0.171 0.000 2.129 432 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 432 L C 2.413 178.903 176.870 -0.633 0.000 1.087 432 L CA 1.119 55.729 54.840 -0.382 0.000 0.757 432 L CB -0.470 41.279 42.059 -0.516 0.000 0.896 432 L HN 0.008 nan 8.230 nan 0.000 0.434 433 A N 0.205 122.765 122.820 -0.433 0.000 2.067 433 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 433 A C 2.376 179.922 177.584 -0.063 0.000 1.158 433 A CA 1.318 53.238 52.037 -0.195 0.000 0.661 433 A CB -0.927 18.130 19.000 0.095 0.000 0.801 433 A HN 0.438 nan 8.150 nan 0.000 0.452 434 G N -0.241 108.517 108.800 -0.071 0.000 2.511 434 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 434 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 434 G C 1.137 176.030 174.900 -0.012 0.000 1.218 434 G CA 0.635 45.719 45.100 -0.027 0.000 0.788 434 G HN 0.479 nan 8.290 nan 0.000 0.560 435 R N -0.914 119.569 120.500 -0.028 0.000 2.674 435 R HA 0.185 4.525 4.340 -0.000 0.000 0.270 435 R C -1.465 174.823 176.300 -0.021 0.000 1.492 435 R CA -0.465 55.625 56.100 -0.016 0.000 1.624 435 R CB 0.560 30.840 30.300 -0.032 0.000 1.307 435 R HN 0.383 nan 8.270 nan 0.000 0.683 436 Y N 1.369 121.600 120.300 -0.116 0.000 2.595 436 Y HA 0.111 4.661 4.550 -0.000 0.000 0.347 436 Y C 0.691 176.588 175.900 -0.004 0.000 1.025 436 Y CA 0.412 58.453 58.100 -0.099 0.000 1.295 436 Y CB 0.495 38.834 38.460 -0.201 0.000 1.147 436 Y HN 0.293 nan 8.280 nan 0.000 0.515 437 E N 1.707 121.810 120.200 -0.161 0.000 2.490 437 E HA 0.011 4.361 4.350 -0.000 0.000 0.209 437 E C 0.451 176.934 176.600 -0.195 0.000 0.971 437 E CA -0.072 56.261 56.400 -0.112 0.000 0.988 437 E CB 0.672 30.303 29.700 -0.115 0.000 1.029 437 E HN 0.483 nan 8.360 nan 0.000 0.496 438 T N 0.110 114.487 114.554 -0.295 0.000 2.934 438 T HA 0.082 4.432 4.350 -0.000 0.000 0.306 438 T C 1.012 175.618 174.700 -0.157 0.000 1.042 438 T CA 0.318 62.281 62.100 -0.228 0.000 1.145 438 T CB 1.034 69.746 68.868 -0.261 0.000 0.982 438 T HN 0.162 nan 8.240 nan 0.000 0.544 439 A N 3.436 126.134 122.820 -0.204 0.000 2.238 439 A HA 0.315 4.635 4.320 -0.000 0.000 0.208 439 A C 1.562 179.267 177.584 0.203 0.000 1.177 439 A CA 0.412 52.298 52.037 -0.252 0.000 0.804 439 A CB -0.540 18.266 19.000 -0.323 0.000 0.823 439 A HN 0.883 nan 8.150 nan 0.000 0.482 440 C N -1.831 117.561 119.300 0.153 0.000 3.899 440 C HA 0.365 4.825 4.460 -0.000 0.000 0.131 440 C C -0.898 174.187 174.990 0.158 0.000 3.321 440 C CA -0.204 58.936 59.018 0.203 0.000 1.339 440 C CB -0.426 27.416 27.740 0.171 0.000 3.123 440 C HN 0.433 nan 8.230 nan 0.000 0.470 441 D N 2.961 123.430 120.400 0.115 0.000 2.362 441 D HA 0.284 4.924 4.640 -0.000 0.000 0.242 441 D C -2.392 173.907 176.300 -0.002 0.000 1.132 441 D CA -0.732 53.317 54.000 0.082 0.000 0.907 441 D CB 0.313 41.146 40.800 0.056 0.000 1.195 441 D HN 0.341 nan 8.370 nan 0.000 0.429 442 P HA 0.080 nan 4.420 nan 0.000 0.267 442 P C -0.386 176.860 177.300 -0.090 0.000 1.209 442 P CA 0.086 63.125 63.100 -0.100 0.000 0.763 442 P CB 0.616 32.318 31.700 0.004 0.000 0.816 443 R N 2.426 122.856 120.500 -0.117 0.000 2.540 443 R HA 0.470 4.810 4.340 -0.000 0.000 0.287 443 R C 0.164 176.440 176.300 -0.040 0.000 0.980 443 R CA -1.174 54.886 56.100 -0.066 0.000 0.966 443 R CB 0.751 31.014 30.300 -0.062 0.000 1.106 443 R HN 0.438 nan 8.270 nan 0.000 0.480 444 L N 3.518 124.742 121.223 0.001 0.000 2.499 444 L HA -0.015 4.325 4.340 -0.000 0.000 0.273 444 L C 0.662 177.527 176.870 -0.008 0.000 1.195 444 L CA -0.213 54.646 54.840 0.032 0.000 0.882 444 L CB -0.231 41.878 42.059 0.083 0.000 1.133 444 L HN 0.727 nan 8.230 nan 0.000 0.483 445 N N 0.772 119.458 118.700 -0.024 0.000 2.294 445 N HA -0.020 4.720 4.740 -0.000 0.000 0.248 445 N C 0.803 176.289 175.510 -0.041 0.000 1.300 445 N CA -0.152 52.875 53.050 -0.039 0.000 0.925 445 N CB 0.132 38.593 38.487 -0.045 0.000 1.188 445 N HN 0.489 nan 8.380 nan 0.000 0.512 446 T N -1.048 113.475 114.554 -0.051 0.000 2.759 446 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 446 T C 1.463 176.110 174.700 -0.090 0.000 1.042 446 T CA 1.562 63.618 62.100 -0.072 0.000 1.140 446 T CB -0.266 68.553 68.868 -0.082 0.000 0.864 446 T HN 0.518 nan 8.240 nan 0.000 0.455 447 Q N -0.088 119.687 119.800 -0.041 0.000 2.083 447 Q HA -0.058 4.282 4.340 -0.000 0.000 0.198 447 Q C 2.590 178.558 176.000 -0.052 0.000 0.969 447 Q CA 1.188 56.994 55.803 0.006 0.000 0.838 447 Q CB -0.075 28.757 28.738 0.157 0.000 0.900 447 Q HN 0.630 nan 8.270 nan 0.000 0.436 448 Q N 0.130 119.887 119.800 -0.072 0.000 2.079 448 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 448 Q C 2.325 178.373 176.000 0.080 0.000 0.974 448 Q CA 1.666 57.404 55.803 -0.109 0.000 0.840 448 Q CB -0.091 28.577 28.738 -0.117 0.000 0.898 448 Q HN 0.348 nan 8.270 nan 0.000 0.430 449 S N 0.698 116.414 115.700 0.027 0.000 2.368 449 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 449 S C 1.918 176.501 174.600 -0.028 0.000 1.030 449 S CA 0.927 59.146 58.200 0.031 0.000 0.999 449 S CB -0.334 62.861 63.200 -0.009 0.000 0.844 449 S HN 0.284 nan 8.310 nan 0.000 0.459 450 L N 1.992 123.120 121.223 -0.158 0.000 2.109 450 L HA 0.151 4.490 4.340 -0.000 0.000 0.207 450 L C 2.554 179.327 176.870 -0.161 0.000 1.086 450 L CA 2.008 56.683 54.840 -0.275 0.000 0.760 450 L CB -1.046 40.633 42.059 -0.633 0.000 0.910 450 L HN 0.476 nan 8.230 nan 0.000 0.437 451 E N -0.827 119.293 120.200 -0.135 0.000 2.085 451 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 451 E C 2.190 178.884 176.600 0.156 0.000 0.994 451 E CA 1.438 57.831 56.400 -0.011 0.000 0.801 451 E CB -0.208 29.557 29.700 0.107 0.000 0.743 451 E HN 0.419 nan 8.360 nan 0.000 0.453 452 L N 0.842 122.226 121.223 0.267 0.000 2.042 452 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 452 L C 2.232 179.144 176.870 0.071 0.000 1.076 452 L CA 2.240 57.188 54.840 0.181 0.000 0.749 452 L CB -0.803 41.345 42.059 0.149 0.000 0.893 452 L HN 0.155 nan 8.230 nan 0.000 0.432 453 A N -1.017 121.815 122.820 0.021 0.000 1.908 453 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 453 A C 2.188 179.710 177.584 -0.103 0.000 1.181 453 A CA 2.036 54.037 52.037 -0.060 0.000 0.627 453 A CB -1.182 17.740 19.000 -0.130 0.000 0.818 453 A HN 0.479 nan 8.150 nan 0.000 0.445 454 F N -0.157 119.718 119.950 -0.125 0.000 2.134 454 F HA -0.136 4.390 4.527 -0.000 0.000 0.299 454 F C 2.134 177.928 175.800 -0.010 0.000 1.097 454 F CA 1.499 59.435 58.000 -0.106 0.000 1.264 454 F CB -0.248 38.533 39.000 -0.365 0.000 1.001 454 F HN 0.113 nan 8.300 nan 0.000 0.479 455 L N -1.087 120.245 121.223 0.182 0.000 2.072 455 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 455 L C 2.221 179.096 176.870 0.008 0.000 1.079 455 L CA 0.550 55.478 54.840 0.147 0.000 0.752 455 L CB -0.651 41.497 42.059 0.148 0.000 0.906 455 L HN -0.060 nan 8.230 nan 0.000 0.436 456 V N -0.046 119.847 119.914 -0.036 0.000 2.548 456 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 456 V C 2.728 178.693 176.094 -0.215 0.000 1.055 456 V CA 1.474 63.688 62.300 -0.144 0.000 1.065 456 V CB -0.791 31.017 31.823 -0.024 0.000 0.681 456 V HN 0.442 nan 8.190 nan 0.000 0.462 457 A N -0.115 122.628 122.820 -0.129 0.000 1.940 457 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 457 A C 2.192 179.727 177.584 -0.082 0.000 1.176 457 A CA 1.683 53.648 52.037 -0.120 0.000 0.631 457 A CB -0.353 18.597 19.000 -0.083 0.000 0.814 457 A HN 0.520 nan 8.150 nan 0.000 0.446 458 E N -0.392 119.791 120.200 -0.028 0.000 2.152 458 E HA -0.114 4.235 4.350 -0.000 0.000 0.192 458 E C 2.015 178.548 176.600 -0.113 0.000 0.983 458 E CA 1.051 57.443 56.400 -0.013 0.000 0.818 458 E CB -0.411 29.328 29.700 0.064 0.000 0.758 458 E HN 0.755 nan 8.360 nan 0.000 0.467 459 M N 0.178 119.626 119.600 -0.254 0.000 2.117 459 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 459 M C 2.342 178.379 176.300 -0.438 0.000 1.065 459 M CA 1.205 56.225 55.300 -0.468 0.000 1.114 459 M CB -0.313 31.710 32.600 -0.961 0.000 1.361 459 M HN 0.038 nan 8.290 nan 0.000 0.408 460 L N -0.554 120.443 121.223 -0.376 0.000 2.093 460 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 460 L C 2.558 179.394 176.870 -0.056 0.000 1.085 460 L CA 1.326 56.090 54.840 -0.127 0.000 0.755 460 L CB -0.434 41.524 42.059 -0.168 0.000 0.904 460 L HN 0.217 nan 8.230 nan 0.000 0.435 461 R N -0.373 120.084 120.500 -0.072 0.000 2.119 461 R HA -0.057 4.283 4.340 -0.000 0.000 0.222 461 R C 0.856 177.148 176.300 -0.014 0.000 1.088 461 R CA 0.359 56.439 56.100 -0.033 0.000 0.984 461 R CB -0.274 30.020 30.300 -0.010 0.000 0.884 461 R HN 0.280 nan 8.270 nan 0.000 0.447 462 D N 0.000 120.386 120.400 -0.023 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 53.997 54.000 -0.005 0.000 0.868 462 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683