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 1o6v_1_A DATA FIRST_RESID 33 DATA SEQUENCE LGSATITQDT PINQIFTDTA LAEKMKTVLG KTNVTDTVSQ TDLDQVTTLQ DATA SEQUENCE ADRLGIKSID GVEYLNNLTQ INFSNNQLTD ITPLKNLTKL VDILMNNNQI DATA SEQUENCE ADITPLANLT NLTGLTLFNN QITDIDPLKN LTNLNRLELS SNTISDISAL DATA SEQUENCE SGLTSLQQLS FGNQVTDLKP LANLTTLERL DISSNKVSDI SVLAKLTNLE DATA SEQUENCE SLIATNNQIS DITPLGILTN LDELSLNGNQ LKDIGTLASL TNLTDLDLAN DATA SEQUENCE NQISNLAPLS GLTKLTELKL GANQISNISP LAGLTALTNL ELNENQLEDI DATA SEQUENCE SPISNLKNLT YLTLYFNNIS DISPVSSLTK LQRLFFYNNK VSDVSSLANL DATA SEQUENCE TNINWLSAGH NQISDLTPLA NLTRITQLGL NDQAWTNAPV NYKANVSIPN DATA SEQUENCE TVKNVTGALI APATISDGGS YTEPDITWNL PSYTNEVSYT FSQPVTIGKG DATA SEQUENCE TTTFSGTVTQ PLKA 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 33 L HA 0.000 nan 4.340 nan 0.000 0.249 33 L C 0.000 176.857 176.870 -0.022 0.000 1.165 33 L CA 0.000 nan 54.840 nan 0.000 0.813 33 L CB 0.000 nan 42.059 nan 0.000 0.961 34 G N -0.544 108.237 108.800 -0.031 0.000 2.157 34 G HA2 0.215 4.175 3.960 -0.000 0.000 0.248 34 G HA3 0.215 4.175 3.960 -0.000 0.000 0.248 34 G C 0.227 175.104 174.900 -0.039 0.000 0.979 34 G CA 0.876 45.957 45.100 -0.031 0.000 0.650 34 G HN 2.269 nan 8.290 nan 0.000 0.529 35 S N -0.368 115.303 115.700 -0.048 0.000 2.575 35 S HA 0.776 5.246 4.470 -0.000 0.000 0.278 35 S C 0.023 174.566 174.600 -0.094 0.000 1.139 35 S CA 0.132 58.299 58.200 -0.056 0.000 0.954 35 S CB 1.901 65.087 63.200 -0.022 0.000 1.054 35 S HN 1.611 nan 8.310 nan 0.000 0.483 36 A N 2.679 125.392 122.820 -0.179 0.000 2.274 36 A HA 0.788 5.108 4.320 -0.000 0.000 0.309 36 A C 0.283 177.796 177.584 -0.118 0.000 1.226 36 A CA -0.525 51.320 52.037 -0.319 0.000 0.853 36 A CB 0.171 18.682 19.000 -0.815 0.000 1.146 36 A HN 0.793 nan 8.150 nan 0.000 0.518 37 T N -0.020 114.585 114.554 0.086 0.000 2.906 37 T HA 0.670 5.020 4.350 -0.000 0.000 0.295 37 T C -0.167 174.712 174.700 0.299 0.000 1.061 37 T CA -0.586 61.659 62.100 0.243 0.000 1.000 37 T CB 0.994 69.927 68.868 0.108 0.000 1.103 37 T HN 0.994 nan 8.240 nan 0.000 0.486 38 I N -0.236 120.441 120.570 0.178 0.000 2.440 38 I HA 0.512 4.682 4.170 -0.000 0.000 0.294 38 I C 0.576 176.711 176.117 0.030 0.000 0.995 38 I CA -0.722 60.598 61.300 0.033 0.000 1.306 38 I CB 1.463 39.391 38.000 -0.120 0.000 1.407 38 I HN 0.618 nan 8.210 nan 0.000 0.501 39 T N 2.981 117.545 114.554 0.017 0.000 3.044 39 T HA 0.044 4.394 4.350 -0.000 0.000 0.255 39 T C 0.567 175.269 174.700 0.002 0.000 1.073 39 T CA 0.751 62.859 62.100 0.014 0.000 1.125 39 T CB -0.051 68.825 68.868 0.014 0.000 0.908 39 T HN 0.708 nan 8.240 nan 0.000 0.480 40 Q N 0.818 120.612 119.800 -0.011 0.000 2.423 40 Q HA 0.278 4.618 4.340 -0.000 0.000 0.278 40 Q C -1.693 174.292 176.000 -0.026 0.000 1.097 40 Q CA -0.806 54.988 55.803 -0.014 0.000 0.809 40 Q CB 1.651 30.381 28.738 -0.015 0.000 1.391 40 Q HN 0.035 nan 8.270 nan 0.000 0.428 41 D N 1.715 122.103 120.400 -0.019 0.000 2.525 41 D HA 0.131 4.771 4.640 -0.000 0.000 0.235 41 D C -0.957 175.323 176.300 -0.033 0.000 1.137 41 D CA 1.098 55.085 54.000 -0.021 0.000 0.868 41 D CB 0.817 41.611 40.800 -0.010 0.000 1.180 41 D HN 0.311 nan 8.370 nan 0.000 0.465 42 T N 2.738 117.264 114.554 -0.046 0.000 2.916 42 T HA 0.412 4.762 4.350 -0.000 0.000 0.298 42 T C -2.627 172.047 174.700 -0.044 0.000 1.031 42 T CA -1.381 60.681 62.100 -0.063 0.000 0.993 42 T CB 2.106 70.901 68.868 -0.120 0.000 1.045 42 T HN 0.028 nan 8.240 nan 0.000 0.454 43 P HA 0.210 nan 4.420 nan 0.000 0.266 43 P C 0.840 178.145 177.300 0.008 0.000 1.195 43 P CA -0.061 63.035 63.100 -0.006 0.000 0.768 43 P CB 0.462 32.159 31.700 -0.005 0.000 0.838 44 I N 2.159 122.762 120.570 0.056 0.000 2.208 44 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 44 I C 1.935 178.150 176.117 0.163 0.000 1.097 44 I CA 1.748 63.140 61.300 0.152 0.000 1.363 44 I CB -0.541 37.547 38.000 0.147 0.000 1.051 44 I HN 0.481 nan 8.210 nan 0.000 0.413 45 N N 0.439 119.193 118.700 0.089 0.000 2.550 45 N HA -0.197 4.543 4.740 -0.000 0.000 0.186 45 N C 1.618 177.146 175.510 0.030 0.000 1.110 45 N CA 0.967 54.062 53.050 0.076 0.000 0.912 45 N CB -0.282 38.235 38.487 0.051 0.000 0.968 45 N HN 0.324 nan 8.380 nan 0.000 0.448 46 Q N 0.160 119.953 119.800 -0.013 0.000 2.302 46 Q HA 0.341 4.681 4.340 -0.000 0.000 0.202 46 Q C 1.844 177.766 176.000 -0.129 0.000 0.936 46 Q CA 0.563 56.331 55.803 -0.057 0.000 0.886 46 Q CB 0.086 28.784 28.738 -0.066 0.000 0.986 46 Q HN 0.475 nan 8.270 nan 0.000 0.487 47 I N -1.301 119.143 120.570 -0.210 0.000 2.296 47 I HA -0.049 4.121 4.170 -0.000 0.000 0.242 47 I C -0.145 175.654 176.117 -0.531 0.000 1.087 47 I CA 0.439 61.437 61.300 -0.503 0.000 1.393 47 I CB 0.175 37.715 38.000 -0.767 0.000 1.093 47 I HN -0.035 nan 8.210 nan 0.000 0.421 48 F N 1.543 121.488 119.950 -0.009 0.000 2.303 48 F HA 0.171 4.698 4.527 0.000 0.000 0.368 48 F C 1.571 177.377 175.800 0.010 0.000 1.105 48 F CA -0.620 57.391 58.000 0.019 0.000 1.153 48 F CB 0.466 39.484 39.000 0.030 0.000 1.362 48 F HN -0.056 nan 8.300 nan 0.000 0.511 49 T N -2.601 112.018 114.554 0.108 0.000 3.023 49 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 49 T C 0.572 175.315 174.700 0.073 0.000 1.093 49 T CA 0.123 62.262 62.100 0.065 0.000 1.129 49 T CB -0.065 68.819 68.868 0.026 0.000 0.899 49 T HN 0.461 nan 8.240 nan 0.000 0.491 50 D N 2.460 122.916 120.400 0.094 0.000 2.383 50 D HA 0.025 4.665 4.640 -0.000 0.000 0.252 50 D C 1.353 177.699 176.300 0.077 0.000 1.166 50 D CA 0.396 54.440 54.000 0.073 0.000 0.879 50 D CB 1.696 42.538 40.800 0.070 0.000 1.164 50 D HN 0.379 nan 8.370 nan 0.000 0.462 51 T N 1.472 116.057 114.554 0.052 0.000 2.951 51 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 51 T C 1.792 176.515 174.700 0.037 0.000 1.073 51 T CA 0.819 62.946 62.100 0.044 0.000 1.134 51 T CB 0.049 68.936 68.868 0.031 0.000 0.884 51 T HN 0.373 nan 8.240 nan 0.000 0.479 52 A N 1.419 124.262 122.820 0.037 0.000 1.897 52 A HA 0.239 4.559 4.320 -0.000 0.000 0.215 52 A C 2.255 179.857 177.584 0.030 0.000 1.181 52 A CA 1.151 53.206 52.037 0.031 0.000 0.620 52 A CB -0.817 18.205 19.000 0.035 0.000 0.821 52 A HN 0.430 nan 8.150 nan 0.000 0.443 53 L N -0.156 121.097 121.223 0.051 0.000 2.093 53 L HA -0.000 4.340 4.340 -0.000 0.000 0.208 53 L C 2.620 179.465 176.870 -0.042 0.000 1.085 53 L CA 1.969 56.830 54.840 0.035 0.000 0.755 53 L CB -0.790 41.333 42.059 0.107 0.000 0.904 53 L HN 0.341 nan 8.230 nan 0.000 0.435 54 A N -0.743 122.097 122.820 0.033 0.000 1.902 54 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 54 A C 2.250 179.819 177.584 -0.026 0.000 1.181 54 A CA 1.688 53.744 52.037 0.032 0.000 0.623 54 A CB -0.659 18.402 19.000 0.103 0.000 0.818 54 A HN 0.521 nan 8.150 nan 0.000 0.443 55 E N 0.289 120.482 120.200 -0.013 0.000 2.077 55 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 55 E C 1.950 178.522 176.600 -0.046 0.000 0.989 55 E CA 1.860 58.248 56.400 -0.019 0.000 0.800 55 E CB -0.175 29.522 29.700 -0.005 0.000 0.746 55 E HN 0.472 nan 8.360 nan 0.000 0.452 56 K N -0.387 119.975 120.400 -0.063 0.000 2.057 56 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 56 K C 1.855 178.373 176.600 -0.136 0.000 1.050 56 K CA 1.613 57.850 56.287 -0.084 0.000 0.935 56 K CB -0.225 32.232 32.500 -0.072 0.000 0.715 56 K HN 0.135 nan 8.250 nan 0.000 0.439 57 M N 1.046 120.509 119.600 -0.229 0.000 2.254 57 M HA -0.042 4.438 4.480 -0.000 0.000 0.265 57 M C 1.984 178.188 176.300 -0.159 0.000 1.066 57 M CA 1.431 56.536 55.300 -0.325 0.000 1.123 57 M CB -0.859 31.296 32.600 -0.743 0.000 1.388 57 M HN 0.261 nan 8.290 nan 0.000 0.425 58 K N 0.087 120.429 120.400 -0.097 0.000 2.020 58 K HA -0.181 4.139 4.320 -0.000 0.000 0.212 58 K C 1.778 178.354 176.600 -0.040 0.000 1.050 58 K CA 2.223 58.486 56.287 -0.041 0.000 0.929 58 K CB -0.091 32.396 32.500 -0.023 0.000 0.714 58 K HN 0.236 nan 8.250 nan 0.000 0.443 59 T N 0.807 115.332 114.554 -0.048 0.000 2.708 59 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 59 T C 1.918 176.592 174.700 -0.043 0.000 1.037 59 T CA 1.454 63.531 62.100 -0.039 0.000 1.146 59 T CB -0.207 68.637 68.868 -0.040 0.000 0.865 59 T HN 0.040 nan 8.240 nan 0.000 0.435 60 V N 1.448 121.325 119.914 -0.063 0.000 2.392 60 V HA -0.104 4.016 4.120 -0.000 0.000 0.249 60 V C 2.202 178.274 176.094 -0.038 0.000 1.059 60 V CA 1.531 63.795 62.300 -0.059 0.000 1.051 60 V CB -0.564 31.204 31.823 -0.090 0.000 0.658 60 V HN 0.462 nan 8.190 nan 0.000 0.455 61 L N -0.042 121.160 121.223 -0.035 0.000 2.592 61 L HA 0.335 4.675 4.340 -0.000 0.000 0.227 61 L C 1.575 178.442 176.870 -0.004 0.000 1.127 61 L CA 0.710 55.545 54.840 -0.009 0.000 0.884 61 L CB -0.334 41.729 42.059 0.007 0.000 1.065 61 L HN 0.527 nan 8.230 nan 0.000 0.457 62 G N 0.436 109.229 108.800 -0.011 0.000 2.198 62 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.257 62 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.257 62 G C 0.155 175.054 174.900 -0.003 0.000 1.042 62 G CA 0.017 45.113 45.100 -0.007 0.000 0.791 62 G HN 0.165 nan 8.290 nan 0.000 0.502 63 K N -0.875 119.523 120.400 -0.003 0.000 2.168 63 K HA 0.676 4.996 4.320 -0.000 0.000 0.239 63 K C 1.145 177.744 176.600 -0.001 0.000 0.999 63 K CA -0.079 56.209 56.287 0.001 0.000 0.900 63 K CB 1.255 33.760 32.500 0.007 0.000 1.111 63 K HN 0.083 nan 8.250 nan 0.000 0.452 64 T N -0.300 114.255 114.554 0.001 0.000 3.039 64 T HA 0.101 4.451 4.350 -0.000 0.000 0.250 64 T C -0.053 174.649 174.700 0.002 0.000 1.052 64 T CA 0.517 62.617 62.100 0.000 0.000 1.125 64 T CB 0.147 69.016 68.868 0.001 0.000 0.908 64 T HN 0.422 nan 8.240 nan 0.000 0.473 65 N N 0.716 119.419 118.700 0.005 0.000 2.262 65 N HA 0.271 5.011 4.740 -0.000 0.000 0.295 65 N C 0.997 176.515 175.510 0.013 0.000 1.161 65 N CA -0.101 52.953 53.050 0.007 0.000 0.767 65 N CB 2.246 40.737 38.487 0.008 0.000 1.499 65 N HN 0.046 nan 8.380 nan 0.000 0.476 66 V N -1.468 118.456 119.914 0.016 0.000 2.913 66 V HA -0.143 3.977 4.120 -0.000 0.000 0.260 66 V C 1.909 178.021 176.094 0.031 0.000 1.098 66 V CA 1.929 64.246 62.300 0.028 0.000 1.121 66 V CB -1.386 30.456 31.823 0.032 0.000 0.714 66 V HN 0.841 nan 8.190 nan 0.000 0.487 67 T N -3.070 111.496 114.554 0.020 0.000 3.088 67 T HA 0.044 4.394 4.350 -0.000 0.000 0.259 67 T C 0.455 175.163 174.700 0.013 0.000 1.122 67 T CA 0.139 62.249 62.100 0.015 0.000 1.095 67 T CB -0.630 68.244 68.868 0.010 0.000 0.930 67 T HN 0.499 nan 8.240 nan 0.000 0.508 68 D N 3.660 124.069 120.400 0.015 0.000 2.443 68 D HA 0.202 4.842 4.640 -0.000 0.000 0.239 68 D C 0.718 177.027 176.300 0.015 0.000 1.136 68 D CA 0.362 54.370 54.000 0.013 0.000 0.879 68 D CB 1.101 41.908 40.800 0.013 0.000 1.195 68 D HN 0.488 nan 8.370 nan 0.000 0.443 69 T N -1.803 112.756 114.554 0.009 0.000 2.910 69 T HA 0.514 4.864 4.350 -0.000 0.000 0.293 69 T C 0.314 175.021 174.700 0.012 0.000 1.015 69 T CA -0.839 61.264 62.100 0.005 0.000 1.094 69 T CB 0.960 69.827 68.868 -0.003 0.000 0.968 69 T HN 0.218 nan 8.240 nan 0.000 0.521 70 V N -0.470 119.451 119.914 0.011 0.000 3.001 70 V HA 0.894 5.014 4.120 -0.000 0.000 0.314 70 V C 0.008 176.105 176.094 0.005 0.000 1.099 70 V CA -1.016 61.296 62.300 0.019 0.000 0.989 70 V CB 1.566 33.419 31.823 0.051 0.000 1.040 70 V HN 1.255 nan 8.190 nan 0.000 0.434 71 S N 0.963 116.671 115.700 0.014 0.000 2.690 71 S HA 0.438 4.908 4.470 -0.000 0.000 0.291 71 S C 0.675 175.287 174.600 0.021 0.000 1.138 71 S CA -0.122 58.085 58.200 0.010 0.000 1.013 71 S CB 1.719 64.927 63.200 0.014 0.000 1.053 71 S HN 0.905 nan 8.310 nan 0.000 0.539 72 Q N 0.974 120.788 119.800 0.024 0.000 2.124 72 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 72 Q C 1.870 177.901 176.000 0.051 0.000 0.977 72 Q CA 2.354 58.185 55.803 0.047 0.000 0.850 72 Q CB -1.312 27.458 28.738 0.053 0.000 0.901 72 Q HN 0.898 nan 8.270 nan 0.000 0.429 73 T N 1.190 115.766 114.554 0.037 0.000 2.720 73 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 73 T C 1.084 175.807 174.700 0.038 0.000 1.037 73 T CA 1.474 63.595 62.100 0.034 0.000 1.144 73 T CB -0.392 68.491 68.868 0.025 0.000 0.864 73 T HN 0.416 nan 8.240 nan 0.000 0.444 74 D N 1.109 121.533 120.400 0.039 0.000 2.117 74 D HA -0.036 4.604 4.640 -0.000 0.000 0.197 74 D C 2.190 178.527 176.300 0.061 0.000 0.987 74 D CA 0.883 54.908 54.000 0.043 0.000 0.829 74 D CB -0.282 40.543 40.800 0.041 0.000 0.961 74 D HN 0.338 nan 8.370 nan 0.000 0.460 75 L N 0.974 122.246 121.223 0.082 0.000 2.093 75 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 75 L C 1.866 178.797 176.870 0.102 0.000 1.085 75 L CA 0.888 55.801 54.840 0.121 0.000 0.755 75 L CB -0.301 41.848 42.059 0.150 0.000 0.904 75 L HN -0.129 nan 8.230 nan 0.000 0.435 76 D N -0.442 120.005 120.400 0.078 0.000 2.309 76 D HA -0.149 4.491 4.640 -0.000 0.000 0.212 76 D C 2.255 178.585 176.300 0.050 0.000 0.968 76 D CA 0.685 54.723 54.000 0.063 0.000 0.882 76 D CB -0.032 40.797 40.800 0.049 0.000 0.918 76 D HN 0.308 nan 8.370 nan 0.000 0.503 77 Q N -0.025 119.803 119.800 0.046 0.000 2.297 77 Q HA 0.013 4.353 4.340 -0.000 0.000 0.204 77 Q C 0.503 176.522 176.000 0.030 0.000 0.962 77 Q CA 0.237 56.060 55.803 0.033 0.000 0.879 77 Q CB 0.016 28.769 28.738 0.026 0.000 0.947 77 Q HN 0.169 nan 8.270 nan 0.000 0.462 78 V N 2.677 122.616 119.914 0.043 0.000 2.405 78 V HA 0.064 4.184 4.120 -0.000 0.000 0.264 78 V C 1.335 177.450 176.094 0.035 0.000 1.048 78 V CA 0.662 62.983 62.300 0.035 0.000 0.966 78 V CB 0.649 32.501 31.823 0.049 0.000 1.015 78 V HN 0.337 nan 8.190 nan 0.000 0.477 79 T N 0.120 114.685 114.554 0.019 0.000 2.971 79 T HA 0.150 4.500 4.350 -0.000 0.000 0.252 79 T C 0.693 175.396 174.700 0.005 0.000 1.022 79 T CA 0.090 62.200 62.100 0.017 0.000 0.980 79 T CB 0.431 69.306 68.868 0.012 0.000 1.044 79 T HN 0.537 nan 8.240 nan 0.000 0.501 80 T N 2.104 116.651 114.554 -0.011 0.000 2.900 80 T HA 0.731 5.081 4.350 -0.000 0.000 0.295 80 T C -1.952 172.711 174.700 -0.062 0.000 1.044 80 T CA -0.608 61.471 62.100 -0.036 0.000 0.995 80 T CB 2.178 71.024 68.868 -0.037 0.000 1.072 80 T HN 0.188 nan 8.240 nan 0.000 0.473 81 L N 2.566 123.719 121.223 -0.116 0.000 2.528 81 L HA 0.423 4.763 4.340 -0.000 0.000 0.267 81 L C -0.930 175.771 176.870 -0.281 0.000 0.961 81 L CA -0.229 54.500 54.840 -0.186 0.000 0.866 81 L CB 1.935 43.876 42.059 -0.196 0.000 1.248 81 L HN 0.585 nan 8.230 nan 0.000 0.404 82 Q N 4.014 123.681 119.800 -0.220 0.000 2.509 82 Q HA 0.622 4.962 4.340 -0.000 0.000 0.236 82 Q C -0.410 175.460 176.000 -0.217 0.000 1.073 82 Q CA -0.048 55.630 55.803 -0.210 0.000 0.867 82 Q CB 1.434 30.098 28.738 -0.122 0.000 1.181 82 Q HN 0.793 nan 8.270 nan 0.000 0.526 83 A N 3.688 126.311 122.820 -0.328 0.000 2.749 83 A HA 0.137 4.457 4.320 -0.000 0.000 0.299 83 A C -0.171 177.356 177.584 -0.094 0.000 1.105 83 A CA -0.592 51.314 52.037 -0.218 0.000 0.987 83 A CB 0.092 18.926 19.000 -0.277 0.000 1.180 83 A HN 0.651 nan 8.150 nan 0.000 0.528 84 D N -0.311 120.035 120.400 -0.090 0.000 2.345 84 D HA 0.179 4.819 4.640 -0.000 0.000 0.247 84 D C 0.457 176.758 176.300 0.003 0.000 1.108 84 D CA -0.321 53.664 54.000 -0.026 0.000 0.894 84 D CB 0.627 41.405 40.800 -0.037 0.000 1.203 84 D HN 0.313 nan 8.370 nan 0.000 0.430 85 R N 0.769 121.284 120.500 0.024 0.000 3.423 85 R HA -0.156 4.184 4.340 -0.000 0.000 0.271 85 R C -0.583 175.731 176.300 0.024 0.000 1.093 85 R CA 0.282 56.395 56.100 0.023 0.000 0.730 85 R CB -1.713 28.595 30.300 0.014 0.000 1.190 85 R HN 0.683 nan 8.270 nan 0.000 0.437 86 L N -0.815 120.430 121.223 0.037 0.000 2.906 86 L HA 0.287 4.627 4.340 -0.000 0.000 0.255 86 L C 1.478 178.370 176.870 0.037 0.000 1.166 86 L CA 0.433 55.294 54.840 0.034 0.000 0.977 86 L CB 1.009 43.091 42.059 0.040 0.000 1.313 86 L HN 0.561 nan 8.230 nan 0.000 0.549 87 G N 1.527 110.350 108.800 0.038 0.000 2.176 87 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 87 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 87 G C 0.159 175.080 174.900 0.036 0.000 1.024 87 G CA -0.090 45.030 45.100 0.032 0.000 0.755 87 G HN 0.304 nan 8.290 nan 0.000 0.507 88 I N -0.253 120.347 120.570 0.051 0.000 2.471 88 I HA 0.213 4.383 4.170 -0.000 0.000 0.286 88 I C 1.446 177.574 176.117 0.019 0.000 1.079 88 I CA -0.006 61.323 61.300 0.048 0.000 1.398 88 I CB 1.174 39.228 38.000 0.090 0.000 1.403 88 I HN 0.087 nan 8.210 nan 0.000 0.530 89 K N 2.804 123.209 120.400 0.008 0.000 2.308 89 K HA 0.128 4.448 4.320 -0.000 0.000 0.197 89 K C 0.431 177.015 176.600 -0.027 0.000 1.049 89 K CA 0.313 56.597 56.287 -0.005 0.000 0.991 89 K CB 0.431 32.932 32.500 0.002 0.000 0.836 89 K HN 0.535 nan 8.250 nan 0.000 0.500 90 S N 0.372 116.054 115.700 -0.030 0.000 2.548 90 S HA 0.348 4.818 4.470 -0.000 0.000 0.276 90 S C -0.237 174.322 174.600 -0.068 0.000 1.129 90 S CA -0.945 57.227 58.200 -0.048 0.000 0.931 90 S CB 0.955 64.146 63.200 -0.016 0.000 1.068 90 S HN 0.274 nan 8.310 nan 0.000 0.480 91 I N 0.147 120.634 120.570 -0.138 0.000 3.884 91 I HA 0.470 4.640 4.170 -0.000 0.000 0.330 91 I C -0.443 175.662 176.117 -0.019 0.000 1.451 91 I CA -0.598 60.602 61.300 -0.167 0.000 1.165 91 I CB -0.244 37.453 38.000 -0.504 0.000 1.097 91 I HN 0.310 nan 8.210 nan 0.000 0.404 92 D N 3.139 123.539 120.400 0.000 0.000 2.583 92 D HA 0.237 4.877 4.640 -0.000 0.000 0.232 92 D C 1.356 177.679 176.300 0.038 0.000 1.128 92 D CA 1.905 55.914 54.000 0.014 0.000 0.859 92 D CB 1.114 41.918 40.800 0.005 0.000 1.169 92 D HN 0.609 nan 8.370 nan 0.000 0.481 93 G N 0.819 109.612 108.800 -0.011 0.000 2.284 93 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.216 93 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.216 93 G C 1.183 176.094 174.900 0.018 0.000 1.009 93 G CA 0.301 45.255 45.100 -0.243 0.000 0.625 93 G HN 0.742 nan 8.290 nan 0.000 0.501 94 V N 0.783 120.847 119.914 0.251 0.000 2.913 94 V HA 0.075 4.195 4.120 -0.000 0.000 0.260 94 V C 2.457 178.651 176.094 0.166 0.000 1.098 94 V CA 2.455 64.960 62.300 0.342 0.000 1.121 94 V CB -0.204 31.801 31.823 0.304 0.000 0.714 94 V HN 0.685 nan 8.190 nan 0.000 0.487 95 E N 0.465 120.680 120.200 0.024 0.000 2.267 95 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 95 E C 1.738 178.223 176.600 -0.192 0.000 0.998 95 E CA 1.813 58.138 56.400 -0.125 0.000 0.830 95 E CB -0.796 28.752 29.700 -0.254 0.000 0.751 95 E HN 0.743 nan 8.360 nan 0.000 0.491 96 Y N 0.818 121.111 120.300 -0.012 0.000 2.546 96 Y HA 0.194 4.744 4.550 -0.000 0.000 0.287 96 Y C 1.301 177.237 175.900 0.060 0.000 1.158 96 Y CA 0.212 58.309 58.100 -0.006 0.000 1.307 96 Y CB 0.204 38.618 38.460 -0.076 0.000 1.036 96 Y HN -0.092 nan 8.280 nan 0.000 0.532 97 L N 1.341 122.698 121.223 0.224 0.000 2.536 97 L HA 0.137 4.477 4.340 -0.000 0.000 0.242 97 L C 0.704 177.642 176.870 0.114 0.000 1.280 97 L CA -0.183 54.771 54.840 0.189 0.000 1.221 97 L CB -0.192 42.004 42.059 0.229 0.000 1.449 97 L HN 0.258 nan 8.230 nan 0.000 0.405 98 N N 0.871 119.622 118.700 0.084 0.000 2.364 98 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 98 N C 0.863 176.399 175.510 0.044 0.000 1.022 98 N CA 0.961 54.039 53.050 0.046 0.000 0.883 98 N CB 0.149 38.656 38.487 0.032 0.000 0.965 98 N HN 0.511 nan 8.380 nan 0.000 0.438 99 N N 0.722 119.454 118.700 0.053 0.000 2.268 99 N HA 0.118 4.858 4.740 -0.000 0.000 0.204 99 N C 0.025 175.560 175.510 0.041 0.000 1.124 99 N CA -0.040 53.035 53.050 0.041 0.000 0.838 99 N CB 0.452 38.962 38.487 0.039 0.000 0.994 99 N HN 0.234 nan 8.380 nan 0.000 0.489 100 L N 1.030 122.284 121.223 0.052 0.000 2.499 100 L HA 0.014 4.354 4.340 -0.000 0.000 0.273 100 L C 1.697 178.588 176.870 0.036 0.000 1.195 100 L CA 0.323 55.192 54.840 0.049 0.000 0.882 100 L CB 0.665 42.768 42.059 0.074 0.000 1.133 100 L HN 0.163 nan 8.230 nan 0.000 0.483 101 T N -0.887 113.682 114.554 0.024 0.000 2.959 101 T HA 0.091 4.441 4.350 -0.000 0.000 0.254 101 T C 0.380 175.088 174.700 0.014 0.000 1.003 101 T CA -0.201 61.910 62.100 0.019 0.000 0.950 101 T CB 0.425 69.301 68.868 0.013 0.000 1.090 101 T HN 0.547 nan 8.240 nan 0.000 0.503 102 Q N 1.033 120.835 119.800 0.004 0.000 2.263 102 Q HA 0.626 4.966 4.340 -0.000 0.000 0.266 102 Q C -1.710 174.268 176.000 -0.038 0.000 1.002 102 Q CA -0.961 54.835 55.803 -0.011 0.000 0.790 102 Q CB 1.944 30.671 28.738 -0.018 0.000 1.272 102 Q HN 0.673 nan 8.270 nan 0.000 0.435 103 I N 0.519 121.062 120.570 -0.044 0.000 2.730 103 I HA 0.683 4.853 4.170 -0.000 0.000 0.298 103 I C -1.282 174.737 176.117 -0.165 0.000 1.089 103 I CA -0.964 60.255 61.300 -0.134 0.000 1.041 103 I CB 2.359 40.345 38.000 -0.024 0.000 1.235 103 I HN 0.409 nan 8.210 nan 0.000 0.423 104 N N 4.417 122.916 118.700 -0.335 0.000 2.531 104 N HA 0.436 5.176 4.740 -0.000 0.000 0.268 104 N C -1.428 173.833 175.510 -0.416 0.000 1.023 104 N CA -0.596 52.302 53.050 -0.253 0.000 0.896 104 N CB 0.965 39.348 38.487 -0.173 0.000 1.233 104 N HN 0.672 nan 8.380 nan 0.000 0.512 105 F N 0.699 120.632 119.950 -0.029 0.000 2.791 105 F HA 0.233 4.760 4.527 -0.000 0.000 0.308 105 F C 1.223 176.998 175.800 -0.043 0.000 1.138 105 F CA -0.512 57.471 58.000 -0.028 0.000 1.294 105 F CB -0.037 38.952 39.000 -0.018 0.000 0.975 105 F HN 0.273 nan 8.300 nan 0.000 0.512 106 S N 0.033 115.764 115.700 0.052 0.000 2.579 106 S HA 0.069 4.539 4.470 -0.000 0.000 0.275 106 S C 0.666 175.274 174.600 0.014 0.000 1.345 106 S CA -0.465 57.731 58.200 -0.007 0.000 1.031 106 S CB 0.381 63.541 63.200 -0.067 0.000 0.892 106 S HN 0.440 nan 8.310 nan 0.000 0.529 107 N N 1.601 120.300 118.700 -0.002 0.000 2.708 107 N HA -0.156 4.584 4.740 -0.000 0.000 0.255 107 N C -0.834 174.696 175.510 0.034 0.000 1.046 107 N CA 0.906 53.965 53.050 0.016 0.000 0.715 107 N CB -1.619 36.880 38.487 0.020 0.000 0.895 107 N HN 0.828 nan 8.380 nan 0.000 0.545 108 N N -0.075 118.648 118.700 0.038 0.000 3.379 108 N HA 0.365 5.105 4.740 -0.000 0.000 0.350 108 N C -0.242 175.283 175.510 0.024 0.000 1.553 108 N CA -0.519 52.558 53.050 0.045 0.000 0.712 108 N CB 0.733 39.270 38.487 0.082 0.000 1.880 108 N HN 0.076 nan 8.380 nan 0.000 0.648 109 Q N 0.770 120.579 119.800 0.016 0.000 2.318 109 Q HA 0.371 4.711 4.340 -0.000 0.000 0.371 109 Q C -1.035 174.960 176.000 -0.008 0.000 0.896 109 Q CA -0.109 55.698 55.803 0.006 0.000 1.134 109 Q CB 0.484 29.227 28.738 0.008 0.000 1.329 109 Q HN 0.298 nan 8.270 nan 0.000 0.413 110 L N 0.644 121.856 121.223 -0.019 0.000 2.397 110 L HA 0.253 4.593 4.340 -0.000 0.000 0.271 110 L C 1.316 178.166 176.870 -0.033 0.000 1.148 110 L CA 0.187 55.001 54.840 -0.043 0.000 0.825 110 L CB 0.847 42.862 42.059 -0.074 0.000 1.117 110 L HN 0.367 nan 8.230 nan 0.000 0.456 111 T N -3.006 111.526 114.554 -0.036 0.000 3.221 111 T HA 0.055 4.405 4.350 -0.000 0.000 0.250 111 T C 0.309 174.989 174.700 -0.034 0.000 0.988 111 T CA -0.260 61.824 62.100 -0.027 0.000 1.163 111 T CB 0.097 68.954 68.868 -0.018 0.000 1.098 111 T HN 0.419 nan 8.240 nan 0.000 0.422 112 D N 2.026 122.402 120.400 -0.041 0.000 2.295 112 D HA 0.305 4.945 4.640 -0.000 0.000 0.248 112 D C 0.622 176.884 176.300 -0.064 0.000 1.154 112 D CA -0.905 53.069 54.000 -0.044 0.000 0.857 112 D CB 0.693 41.470 40.800 -0.039 0.000 1.117 112 D HN 0.623 nan 8.370 nan 0.000 0.468 113 I N 0.761 121.297 120.570 -0.057 0.000 3.856 113 I HA 0.174 4.344 4.170 -0.000 0.000 0.330 113 I C 1.228 177.313 176.117 -0.054 0.000 1.546 113 I CA -0.454 60.805 61.300 -0.070 0.000 1.132 113 I CB 0.066 38.033 38.000 -0.056 0.000 1.157 113 I HN 0.213 nan 8.210 nan 0.000 0.440 114 T N -0.622 113.903 114.554 -0.048 0.000 2.803 114 T HA -0.016 4.334 4.350 -0.000 0.000 0.269 114 T C -0.502 174.170 174.700 -0.047 0.000 1.052 114 T CA 1.166 63.242 62.100 -0.041 0.000 1.136 114 T CB -1.906 66.940 68.868 -0.038 0.000 0.864 114 T HN 0.292 nan 8.240 nan 0.000 0.467 115 P HA 0.033 nan 4.420 nan 0.000 0.222 115 P C 1.213 178.491 177.300 -0.037 0.000 1.142 115 P CA 0.756 63.824 63.100 -0.054 0.000 0.788 115 P CB -0.352 31.318 31.700 -0.051 0.000 0.767 116 L N -0.452 120.755 121.223 -0.027 0.000 2.554 116 L HA -0.019 4.321 4.340 -0.000 0.000 0.226 116 L C 2.384 179.250 176.870 -0.007 0.000 1.137 116 L CA 0.593 55.432 54.840 -0.002 0.000 0.863 116 L CB -0.774 41.291 42.059 0.009 0.000 0.985 116 L HN 0.118 nan 8.230 nan 0.000 0.451 117 K N -0.058 120.328 120.400 -0.022 0.000 2.063 117 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 117 K C 0.954 177.542 176.600 -0.020 0.000 1.048 117 K CA 1.523 57.797 56.287 -0.021 0.000 0.928 117 K CB -0.239 32.245 32.500 -0.028 0.000 0.713 117 K HN 0.296 nan 8.250 nan 0.000 0.442 118 N N 0.873 119.555 118.700 -0.029 0.000 2.279 118 N HA 0.133 4.873 4.740 -0.000 0.000 0.226 118 N C -0.397 175.103 175.510 -0.017 0.000 1.126 118 N CA 0.045 53.079 53.050 -0.027 0.000 0.846 118 N CB 0.546 39.007 38.487 -0.043 0.000 1.050 118 N HN 0.200 nan 8.380 nan 0.000 0.502 119 L N 1.746 122.967 121.223 -0.004 0.000 2.480 119 L HA 0.129 4.469 4.340 -0.000 0.000 0.243 119 L C 1.511 178.391 176.870 0.016 0.000 1.315 119 L CA -0.070 54.778 54.840 0.013 0.000 1.231 119 L CB -0.330 41.749 42.059 0.034 0.000 1.444 119 L HN 0.062 nan 8.230 nan 0.000 0.409 120 T N -4.030 110.529 114.554 0.009 0.000 3.118 120 T HA -0.032 4.318 4.350 -0.000 0.000 0.260 120 T C 1.432 176.139 174.700 0.012 0.000 1.139 120 T CA 0.264 62.369 62.100 0.009 0.000 1.085 120 T CB -0.029 68.841 68.868 0.003 0.000 0.934 120 T HN 0.380 nan 8.240 nan 0.000 0.518 121 K N 0.738 121.147 120.400 0.016 0.000 2.432 121 K HA 0.228 4.548 4.320 -0.000 0.000 0.196 121 K C 0.426 177.038 176.600 0.020 0.000 1.038 121 K CA -0.002 56.296 56.287 0.017 0.000 0.986 121 K CB -0.200 32.311 32.500 0.019 0.000 0.782 121 K HN 0.416 nan 8.250 nan 0.000 0.485 122 L N 2.004 123.241 121.223 0.024 0.000 2.513 122 L HA -0.056 4.284 4.340 -0.000 0.000 0.272 122 L C 1.411 178.294 176.870 0.022 0.000 1.187 122 L CA -0.225 54.631 54.840 0.027 0.000 0.895 122 L CB 0.740 42.821 42.059 0.036 0.000 1.147 122 L HN 0.000 nan 8.230 nan 0.000 0.483 123 V N -1.455 118.471 119.914 0.020 0.000 3.572 123 V HA 0.331 4.451 4.120 -0.000 0.000 0.260 123 V C 0.315 176.420 176.094 0.019 0.000 1.324 123 V CA 0.176 62.486 62.300 0.018 0.000 1.068 123 V CB 0.768 32.599 31.823 0.014 0.000 0.837 123 V HN 0.805 nan 8.190 nan 0.000 0.450 124 D N 0.178 120.589 120.400 0.018 0.000 2.964 124 D HA 0.520 5.160 4.640 -0.000 0.000 0.234 124 D C -1.587 174.725 176.300 0.019 0.000 1.223 124 D CA -0.337 53.673 54.000 0.018 0.000 0.889 124 D CB 2.811 43.618 40.800 0.012 0.000 1.609 124 D HN 0.282 nan 8.370 nan 0.000 0.523 125 I N 3.834 124.419 120.570 0.025 0.000 2.447 125 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 125 I C -0.568 175.559 176.117 0.017 0.000 1.023 125 I CA -0.678 60.642 61.300 0.032 0.000 1.083 125 I CB 2.093 40.122 38.000 0.048 0.000 1.245 125 I HN 0.198 nan 8.210 nan 0.000 0.434 126 L N 7.116 128.341 121.223 0.003 0.000 2.294 126 L HA 0.534 4.874 4.340 -0.000 0.000 0.283 126 L C 0.060 176.918 176.870 -0.020 0.000 1.015 126 L CA -0.070 54.754 54.840 -0.027 0.000 0.831 126 L CB 1.493 43.531 42.059 -0.035 0.000 1.217 126 L HN 0.718 nan 8.230 nan 0.000 0.420 127 M N 3.360 122.922 119.600 -0.063 0.000 3.340 127 M HA 0.126 4.606 4.480 -0.000 0.000 0.471 127 M C -0.227 175.984 176.300 -0.148 0.000 1.550 127 M CA -0.322 54.955 55.300 -0.038 0.000 0.754 127 M CB 0.421 33.037 32.600 0.027 0.000 1.485 127 M HN 0.626 nan 8.290 nan 0.000 0.530 128 N N 0.105 118.604 118.700 -0.335 0.000 2.371 128 N HA 0.057 4.797 4.740 -0.000 0.000 0.243 128 N C -0.599 174.741 175.510 -0.283 0.000 1.287 128 N CA 0.292 53.009 53.050 -0.556 0.000 0.911 128 N CB 0.090 37.687 38.487 -1.484 0.000 1.142 128 N HN 0.315 nan 8.380 nan 0.000 0.451 129 N N -0.847 117.740 118.700 -0.188 0.000 2.726 129 N HA -0.148 4.592 4.740 -0.000 0.000 0.253 129 N C -1.307 174.186 175.510 -0.028 0.000 1.059 129 N CA 0.636 53.655 53.050 -0.051 0.000 0.701 129 N CB -0.921 37.558 38.487 -0.015 0.000 0.899 129 N HN 0.604 nan 8.380 nan 0.000 0.548 130 N N 0.003 118.687 118.700 -0.027 0.000 3.455 130 N HA 0.361 5.101 4.740 -0.000 0.000 0.358 130 N C -0.274 175.234 175.510 -0.003 0.000 1.580 130 N CA -0.467 52.577 53.050 -0.011 0.000 0.692 130 N CB 0.598 39.076 38.487 -0.015 0.000 1.978 130 N HN 0.188 nan 8.380 nan 0.000 0.651 131 Q N 0.662 120.459 119.800 -0.004 0.000 2.182 131 Q HA 0.453 4.793 4.340 -0.000 0.000 0.305 131 Q C -0.657 175.341 176.000 -0.003 0.000 0.880 131 Q CA -0.121 55.682 55.803 0.000 0.000 1.131 131 Q CB 0.448 29.187 28.738 0.002 0.000 1.237 131 Q HN 0.411 nan 8.270 nan 0.000 0.447 132 I N 0.541 121.107 120.570 -0.007 0.000 2.471 132 I HA 0.109 4.279 4.170 -0.000 0.000 0.286 132 I C 0.893 177.010 176.117 -0.001 0.000 1.079 132 I CA 0.008 61.303 61.300 -0.009 0.000 1.398 132 I CB 1.307 39.299 38.000 -0.014 0.000 1.403 132 I HN 0.277 nan 8.210 nan 0.000 0.530 133 A N 4.178 126.996 122.820 -0.002 0.000 2.026 133 A HA 0.085 4.405 4.320 -0.000 0.000 0.201 133 A C 0.634 178.218 177.584 -0.000 0.000 1.318 133 A CA 0.237 52.275 52.037 0.002 0.000 0.857 133 A CB 0.173 19.174 19.000 0.002 0.000 0.939 133 A HN 0.640 nan 8.150 nan 0.000 0.476 134 D N 0.698 121.095 120.400 -0.005 0.000 2.373 134 D HA 0.389 5.029 4.640 -0.000 0.000 0.227 134 D C 0.473 176.768 176.300 -0.008 0.000 1.091 134 D CA -0.426 53.569 54.000 -0.007 0.000 0.840 134 D CB 0.612 41.406 40.800 -0.010 0.000 1.060 134 D HN 0.422 nan 8.370 nan 0.000 0.502 135 I N 0.919 121.486 120.570 -0.005 0.000 3.914 135 I HA 0.142 4.312 4.170 -0.000 0.000 0.333 135 I C 1.436 177.550 176.117 -0.005 0.000 1.449 135 I CA -0.348 60.950 61.300 -0.004 0.000 1.135 135 I CB -0.052 37.949 38.000 0.002 0.000 1.073 135 I HN 0.174 nan 8.210 nan 0.000 0.401 136 T N -0.343 114.206 114.554 -0.008 0.000 2.778 136 T HA -0.049 4.301 4.350 -0.000 0.000 0.269 136 T C -0.427 174.267 174.700 -0.010 0.000 1.050 136 T CA 1.258 63.353 62.100 -0.009 0.000 1.137 136 T CB -2.015 66.847 68.868 -0.010 0.000 0.860 136 T HN 0.310 nan 8.240 nan 0.000 0.468 137 P HA 0.091 nan 4.420 nan 0.000 0.226 137 P C 1.148 178.444 177.300 -0.007 0.000 1.146 137 P CA 0.676 63.768 63.100 -0.013 0.000 0.773 137 P CB -0.333 31.355 31.700 -0.019 0.000 0.772 138 L N -2.041 119.180 121.223 -0.003 0.000 2.558 138 L HA 0.130 4.470 4.340 -0.000 0.000 0.225 138 L C 2.209 179.081 176.870 0.002 0.000 1.128 138 L CA 0.331 55.173 54.840 0.003 0.000 0.868 138 L CB -0.754 41.310 42.059 0.008 0.000 1.006 138 L HN -0.048 nan 8.230 nan 0.000 0.454 139 A N 0.524 123.343 122.820 -0.002 0.000 1.972 139 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 139 A C 1.620 179.203 177.584 -0.001 0.000 1.169 139 A CA 1.385 53.421 52.037 -0.002 0.000 0.635 139 A CB -0.245 18.752 19.000 -0.005 0.000 0.810 139 A HN 0.441 nan 8.150 nan 0.000 0.446 140 N N -0.195 118.504 118.700 -0.002 0.000 2.275 140 N HA 0.213 4.953 4.740 -0.000 0.000 0.236 140 N C -0.449 175.062 175.510 0.001 0.000 1.154 140 N CA 0.049 53.098 53.050 -0.002 0.000 0.866 140 N CB 0.557 39.041 38.487 -0.005 0.000 1.093 140 N HN 0.385 nan 8.380 nan 0.000 0.515 141 L N 1.605 122.831 121.223 0.005 0.000 2.536 141 L HA 0.172 4.512 4.340 -0.000 0.000 0.242 141 L C 1.393 178.269 176.870 0.010 0.000 1.280 141 L CA -0.078 54.767 54.840 0.009 0.000 1.221 141 L CB -0.384 41.683 42.059 0.014 0.000 1.449 141 L HN 0.043 nan 8.230 nan 0.000 0.405 142 T N -4.477 110.082 114.554 0.008 0.000 3.118 142 T HA -0.018 4.332 4.350 -0.000 0.000 0.260 142 T C 1.291 175.997 174.700 0.010 0.000 1.139 142 T CA 0.226 62.331 62.100 0.008 0.000 1.085 142 T CB -0.090 68.781 68.868 0.005 0.000 0.934 142 T HN 0.334 nan 8.240 nan 0.000 0.518 143 N N 1.064 119.770 118.700 0.011 0.000 2.398 143 N HA 0.197 4.937 4.740 -0.000 0.000 0.188 143 N C 0.160 175.679 175.510 0.015 0.000 1.122 143 N CA 0.012 53.069 53.050 0.012 0.000 0.866 143 N CB -0.041 38.453 38.487 0.012 0.000 0.970 143 N HN 0.475 nan 8.380 nan 0.000 0.462 144 L N 1.373 122.606 121.223 0.016 0.000 2.513 144 L HA -0.002 4.338 4.340 -0.000 0.000 0.272 144 L C 1.695 178.577 176.870 0.020 0.000 1.187 144 L CA 0.226 55.078 54.840 0.019 0.000 0.895 144 L CB 0.590 42.662 42.059 0.022 0.000 1.147 144 L HN 0.150 nan 8.230 nan 0.000 0.483 145 T N -1.627 112.939 114.554 0.021 0.000 2.990 145 T HA 0.229 4.579 4.350 -0.000 0.000 0.250 145 T C 0.613 175.329 174.700 0.027 0.000 1.041 145 T CA 0.242 62.355 62.100 0.022 0.000 1.010 145 T CB 0.568 69.448 68.868 0.019 0.000 1.003 145 T HN 0.608 nan 8.240 nan 0.000 0.499 146 G N 1.226 110.043 108.800 0.028 0.000 2.687 146 G HA2 0.635 4.595 3.960 -0.000 0.000 0.301 146 G HA3 0.635 4.595 3.960 -0.000 0.000 0.301 146 G C -2.124 172.798 174.900 0.037 0.000 1.416 146 G CA -0.677 44.444 45.100 0.035 0.000 1.005 146 G HN 0.341 nan 8.290 nan 0.000 0.509 147 L N 1.536 122.786 121.223 0.046 0.000 2.482 147 L HA 0.731 5.071 4.340 -0.000 0.000 0.269 147 L C -0.595 176.309 176.870 0.058 0.000 0.967 147 L CA -0.286 54.581 54.840 0.044 0.000 0.851 147 L CB 2.320 44.404 42.059 0.041 0.000 1.242 147 L HN 0.416 nan 8.230 nan 0.000 0.404 148 T N 6.720 121.296 114.554 0.037 0.000 2.791 148 T HA 0.556 4.906 4.350 -0.000 0.000 0.288 148 T C 0.436 175.094 174.700 -0.070 0.000 0.999 148 T CA -0.088 62.029 62.100 0.028 0.000 0.952 148 T CB 0.787 69.666 68.868 0.020 0.000 0.938 148 T HN 0.572 nan 8.240 nan 0.000 0.444 149 L N 3.100 124.300 121.223 -0.038 0.000 3.429 149 L HA 0.364 4.704 4.340 -0.000 0.000 0.311 149 L C 0.039 176.892 176.870 -0.027 0.000 1.274 149 L CA -0.621 54.183 54.840 -0.061 0.000 1.037 149 L CB 0.150 42.216 42.059 0.013 0.000 1.433 149 L HN 0.609 nan 8.230 nan 0.000 0.614 150 F N -1.066 118.909 119.950 0.041 0.000 2.490 150 F HA 0.309 4.836 4.527 0.000 0.000 0.336 150 F C 1.004 176.824 175.800 0.033 0.000 1.178 150 F CA -0.715 57.307 58.000 0.037 0.000 1.301 150 F CB 0.005 39.023 39.000 0.030 0.000 1.175 150 F HN 0.038 nan 8.300 nan 0.000 0.593 151 N N 1.690 120.563 118.700 0.288 0.000 2.708 151 N HA -0.242 4.498 4.740 -0.000 0.000 0.255 151 N C -1.073 174.472 175.510 0.059 0.000 1.046 151 N CA 0.646 53.797 53.050 0.168 0.000 0.715 151 N CB -1.138 37.476 38.487 0.212 0.000 0.895 151 N HN 0.750 nan 8.380 nan 0.000 0.545 152 N N 0.129 118.863 118.700 0.056 0.000 3.294 152 N HA 0.324 5.064 4.740 -0.000 0.000 0.355 152 N C 0.111 175.643 175.510 0.037 0.000 1.497 152 N CA -0.388 52.678 53.050 0.028 0.000 0.707 152 N CB 0.560 39.053 38.487 0.010 0.000 1.732 152 N HN 0.132 nan 8.380 nan 0.000 0.640 153 Q N 0.730 120.546 119.800 0.026 0.000 2.182 153 Q HA 0.434 4.774 4.340 -0.000 0.000 0.305 153 Q C -0.552 175.462 176.000 0.023 0.000 0.880 153 Q CA -0.098 55.720 55.803 0.025 0.000 1.131 153 Q CB 0.514 29.262 28.738 0.017 0.000 1.237 153 Q HN 0.420 nan 8.270 nan 0.000 0.447 154 I N 0.382 120.970 120.570 0.030 0.000 2.416 154 I HA 0.059 4.229 4.170 -0.000 0.000 0.288 154 I C 0.947 177.080 176.117 0.027 0.000 1.051 154 I CA 0.292 61.608 61.300 0.026 0.000 1.375 154 I CB 1.427 39.446 38.000 0.031 0.000 1.407 154 I HN 0.093 nan 8.210 nan 0.000 0.516 155 T N 1.958 116.522 114.554 0.017 0.000 3.071 155 T HA 0.007 4.357 4.350 -0.000 0.000 0.239 155 T C 0.269 174.971 174.700 0.003 0.000 0.997 155 T CA 0.247 62.354 62.100 0.013 0.000 1.134 155 T CB 0.045 68.918 68.868 0.009 0.000 0.928 155 T HN 0.576 nan 8.240 nan 0.000 0.453 156 D N 2.135 122.535 120.400 -0.000 0.000 2.396 156 D HA 0.200 4.840 4.640 -0.000 0.000 0.225 156 D C 0.637 176.932 176.300 -0.008 0.000 1.121 156 D CA -0.627 53.369 54.000 -0.007 0.000 0.853 156 D CB 0.345 41.141 40.800 -0.007 0.000 1.043 156 D HN 0.439 nan 8.370 nan 0.000 0.500 157 I N -0.096 120.464 120.570 -0.016 0.000 3.941 157 I HA 0.274 4.444 4.170 -0.000 0.000 0.335 157 I C 0.541 176.646 176.117 -0.020 0.000 1.402 157 I CA -0.439 60.851 61.300 -0.016 0.000 1.112 157 I CB 0.397 38.383 38.000 -0.023 0.000 1.043 157 I HN 0.005 nan 8.210 nan 0.000 0.395 158 D N 3.241 123.629 120.400 -0.020 0.000 2.158 158 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 158 D C -0.440 175.852 176.300 -0.013 0.000 0.995 158 D CA 1.507 55.496 54.000 -0.018 0.000 0.846 158 D CB -1.471 39.319 40.800 -0.017 0.000 0.941 158 D HN 0.372 nan 8.370 nan 0.000 0.456 159 P HA -0.057 nan 4.420 nan 0.000 0.226 159 P C 1.295 178.593 177.300 -0.003 0.000 1.146 159 P CA 0.668 63.765 63.100 -0.006 0.000 0.773 159 P CB -0.090 31.607 31.700 -0.004 0.000 0.772 160 L N -0.406 120.814 121.223 -0.004 0.000 2.558 160 L HA 0.042 4.382 4.340 -0.000 0.000 0.225 160 L C 2.293 179.161 176.870 -0.003 0.000 1.128 160 L CA 0.488 55.328 54.840 -0.000 0.000 0.868 160 L CB -0.700 41.360 42.059 0.002 0.000 1.006 160 L HN 0.102 nan 8.230 nan 0.000 0.454 161 K N -0.336 120.060 120.400 -0.008 0.000 2.209 161 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 161 K C 0.875 177.472 176.600 -0.005 0.000 1.048 161 K CA 1.299 57.580 56.287 -0.010 0.000 0.940 161 K CB -0.140 32.353 32.500 -0.013 0.000 0.729 161 K HN 0.244 nan 8.250 nan 0.000 0.451 162 N N 0.948 119.647 118.700 -0.003 0.000 2.235 162 N HA 0.117 4.857 4.740 -0.000 0.000 0.209 162 N C -0.240 175.272 175.510 0.003 0.000 1.122 162 N CA 0.162 53.212 53.050 -0.000 0.000 0.845 162 N CB 0.511 38.998 38.487 -0.001 0.000 1.004 162 N HN 0.206 nan 8.380 nan 0.000 0.499 163 L N 1.582 122.808 121.223 0.005 0.000 2.648 163 L HA 0.156 4.496 4.340 -0.000 0.000 0.238 163 L C 1.295 178.171 176.870 0.011 0.000 1.316 163 L CA -0.078 54.767 54.840 0.009 0.000 1.241 163 L CB -0.538 41.528 42.059 0.012 0.000 1.499 163 L HN 0.052 nan 8.230 nan 0.000 0.411 164 T N -4.595 109.965 114.554 0.009 0.000 3.118 164 T HA -0.021 4.329 4.350 -0.000 0.000 0.260 164 T C 1.294 176.001 174.700 0.011 0.000 1.139 164 T CA 0.264 62.370 62.100 0.009 0.000 1.085 164 T CB -0.098 68.774 68.868 0.006 0.000 0.934 164 T HN 0.333 nan 8.240 nan 0.000 0.518 165 N N 0.951 119.658 118.700 0.012 0.000 2.398 165 N HA 0.214 4.954 4.740 -0.000 0.000 0.188 165 N C 0.177 175.697 175.510 0.017 0.000 1.122 165 N CA -0.020 53.039 53.050 0.014 0.000 0.866 165 N CB -0.011 38.484 38.487 0.012 0.000 0.970 165 N HN 0.468 nan 8.380 nan 0.000 0.462 166 L N 1.429 122.664 121.223 0.020 0.000 2.559 166 L HA -0.014 4.326 4.340 -0.000 0.000 0.274 166 L C 1.125 178.011 176.870 0.027 0.000 1.205 166 L CA 0.320 55.175 54.840 0.026 0.000 0.907 166 L CB 0.261 42.338 42.059 0.030 0.000 1.153 166 L HN 0.116 nan 8.230 nan 0.000 0.490 167 N N 2.114 120.831 118.700 0.028 0.000 2.454 167 N HA 0.090 4.830 4.740 -0.000 0.000 0.177 167 N C 0.269 175.801 175.510 0.036 0.000 1.049 167 N CA -0.068 52.999 53.050 0.029 0.000 0.887 167 N CB 0.484 38.986 38.487 0.024 0.000 1.095 167 N HN 0.451 nan 8.380 nan 0.000 0.446 168 R N 1.246 121.770 120.500 0.041 0.000 2.532 168 R HA 0.444 4.784 4.340 -0.000 0.000 0.297 168 R C -2.087 174.251 176.300 0.063 0.000 0.984 168 R CA -0.578 55.553 56.100 0.051 0.000 0.884 168 R CB 1.168 31.498 30.300 0.049 0.000 1.182 168 R HN -0.045 nan 8.270 nan 0.000 0.442 169 L N 3.626 124.897 121.223 0.079 0.000 2.441 169 L HA 0.447 4.787 4.340 -0.000 0.000 0.270 169 L C -1.446 175.499 176.870 0.126 0.000 0.973 169 L CA -0.227 54.670 54.840 0.096 0.000 0.842 169 L CB 1.989 44.103 42.059 0.091 0.000 1.239 169 L HN 0.587 nan 8.230 nan 0.000 0.406 170 E N 6.853 127.145 120.200 0.153 0.000 2.145 170 E HA 0.398 4.748 4.350 -0.000 0.000 0.262 170 E C -0.347 176.399 176.600 0.244 0.000 0.883 170 E CA -0.099 56.430 56.400 0.215 0.000 0.748 170 E CB 2.020 31.923 29.700 0.339 0.000 1.140 170 E HN 0.699 nan 8.360 nan 0.000 0.417 171 L N 1.301 122.660 121.223 0.226 0.000 3.333 171 L HA 0.084 4.424 4.340 -0.000 0.000 0.299 171 L C 0.512 177.511 176.870 0.214 0.000 1.256 171 L CA -0.190 54.782 54.840 0.221 0.000 1.037 171 L CB 0.621 42.806 42.059 0.211 0.000 1.423 171 L HN 0.259 nan 8.230 nan 0.000 0.605 172 S N -1.240 114.567 115.700 0.179 0.000 2.576 172 S HA 0.133 4.603 4.470 -0.000 0.000 0.272 172 S C 1.027 175.707 174.600 0.132 0.000 1.352 172 S CA 0.185 58.441 58.200 0.093 0.000 1.021 172 S CB 1.332 64.514 63.200 -0.030 0.000 0.887 172 S HN 0.283 nan 8.310 nan 0.000 0.542 173 S N 0.928 116.679 115.700 0.085 0.000 3.614 173 S HA -0.160 4.310 4.470 -0.000 0.000 0.360 173 S C 0.092 174.754 174.600 0.103 0.000 1.023 173 S CA 0.647 58.900 58.200 0.087 0.000 1.114 173 S CB -1.882 61.376 63.200 0.096 0.000 0.907 173 S HN 0.814 nan 8.310 nan 0.000 0.470 174 N N 0.080 118.842 118.700 0.103 0.000 2.879 174 N HA 0.517 5.257 4.740 -0.000 0.000 0.329 174 N C 0.577 176.130 175.510 0.071 0.000 1.337 174 N CA 0.266 53.367 53.050 0.086 0.000 0.844 174 N CB 1.082 39.625 38.487 0.093 0.000 1.236 174 N HN 0.436 nan 8.380 nan 0.000 0.601 175 T N -1.611 112.977 114.554 0.057 0.000 3.313 175 T HA 0.464 4.814 4.350 -0.000 0.000 0.263 175 T C 0.479 175.205 174.700 0.043 0.000 0.983 175 T CA -0.339 61.790 62.100 0.047 0.000 0.963 175 T CB -1.010 67.878 68.868 0.033 0.000 1.141 175 T HN 0.260 nan 8.240 nan 0.000 0.526 176 I N 1.258 121.863 120.570 0.058 0.000 2.496 176 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 176 I C 1.151 177.289 176.117 0.036 0.000 1.080 176 I CA -0.115 61.208 61.300 0.038 0.000 1.404 176 I CB 1.365 39.391 38.000 0.043 0.000 1.403 176 I HN 0.247 nan 8.210 nan 0.000 0.539 177 S N 2.131 117.834 115.700 0.006 0.000 2.564 177 S HA 0.046 4.516 4.470 -0.000 0.000 0.231 177 S C 0.246 174.824 174.600 -0.037 0.000 1.067 177 S CA 0.042 58.242 58.200 0.001 0.000 0.908 177 S CB 0.246 63.449 63.200 0.004 0.000 0.809 177 S HN 0.669 nan 8.310 nan 0.000 0.491 178 D N 1.880 122.246 120.400 -0.057 0.000 2.414 178 D HA 0.264 4.904 4.640 -0.000 0.000 0.232 178 D C 0.233 176.456 176.300 -0.128 0.000 1.070 178 D CA -0.375 53.580 54.000 -0.075 0.000 0.839 178 D CB 0.937 41.708 40.800 -0.049 0.000 1.079 178 D HN 0.326 nan 8.370 nan 0.000 0.521 179 I N 0.742 121.197 120.570 -0.191 0.000 3.858 179 I HA 0.137 4.307 4.170 -0.000 0.000 0.325 179 I C 1.251 177.265 176.117 -0.171 0.000 1.403 179 I CA -0.447 60.691 61.300 -0.270 0.000 1.169 179 I CB 0.258 37.932 38.000 -0.542 0.000 1.077 179 I HN -0.027 nan 8.210 nan 0.000 0.403 180 S N 2.188 117.822 115.700 -0.109 0.000 2.387 180 S HA -0.233 4.237 4.470 -0.000 0.000 0.230 180 S C 2.258 176.820 174.600 -0.064 0.000 1.035 180 S CA 1.812 59.969 58.200 -0.072 0.000 1.014 180 S CB -0.266 62.904 63.200 -0.050 0.000 0.836 180 S HN 0.766 nan 8.310 nan 0.000 0.466 181 A N 0.935 123.715 122.820 -0.066 0.000 2.125 181 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 181 A C 1.857 179.412 177.584 -0.047 0.000 1.156 181 A CA 0.837 52.844 52.037 -0.049 0.000 0.671 181 A CB -0.577 18.396 19.000 -0.044 0.000 0.794 181 A HN 0.510 nan 8.150 nan 0.000 0.459 182 L N 0.337 121.518 121.223 -0.071 0.000 2.492 182 L HA -0.069 4.271 4.340 -0.000 0.000 0.223 182 L C 2.645 179.496 176.870 -0.032 0.000 1.132 182 L CA 0.953 55.761 54.840 -0.054 0.000 0.850 182 L CB -0.412 41.593 42.059 -0.090 0.000 0.966 182 L HN 0.574 nan 8.230 nan 0.000 0.454 183 S N -0.081 115.598 115.700 -0.034 0.000 2.419 183 S HA -0.100 4.370 4.470 -0.000 0.000 0.233 183 S C 1.751 176.345 174.600 -0.010 0.000 1.016 183 S CA 1.026 59.214 58.200 -0.021 0.000 0.974 183 S CB -0.473 62.713 63.200 -0.023 0.000 0.786 183 S HN 0.424 nan 8.310 nan 0.000 0.492 184 G N 0.583 109.378 108.800 -0.009 0.000 3.233 184 G HA2 0.402 4.362 3.960 -0.000 0.000 0.234 184 G HA3 0.402 4.362 3.960 -0.000 0.000 0.234 184 G C 0.372 175.273 174.900 0.002 0.000 1.137 184 G CA -0.459 44.639 45.100 -0.003 0.000 0.763 184 G HN 0.504 nan 8.290 nan 0.000 0.549 185 L N 2.766 123.991 121.223 0.004 0.000 2.480 185 L HA 0.156 4.496 4.340 -0.000 0.000 0.243 185 L C 1.665 178.545 176.870 0.016 0.000 1.315 185 L CA -0.173 54.674 54.840 0.012 0.000 1.231 185 L CB -0.128 41.940 42.059 0.015 0.000 1.444 185 L HN 0.179 nan 8.230 nan 0.000 0.409 186 T N -5.385 109.177 114.554 0.013 0.000 3.194 186 T HA 0.004 4.354 4.350 -0.000 0.000 0.251 186 T C 1.346 176.055 174.700 0.015 0.000 1.132 186 T CA 0.102 62.210 62.100 0.014 0.000 1.028 186 T CB 0.150 69.024 68.868 0.010 0.000 0.976 186 T HN 0.309 nan 8.240 nan 0.000 0.535 187 S N 0.508 116.218 115.700 0.017 0.000 2.540 187 S HA 0.386 4.856 4.470 -0.000 0.000 0.218 187 S C 0.503 175.116 174.600 0.022 0.000 0.977 187 S CA -0.505 57.706 58.200 0.017 0.000 0.918 187 S CB -0.149 63.060 63.200 0.016 0.000 0.806 187 S HN 0.486 nan 8.310 nan 0.000 0.496 188 L N 2.118 123.357 121.223 0.027 0.000 2.462 188 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 188 L C 1.516 178.405 176.870 0.031 0.000 1.166 188 L CA 0.216 55.076 54.840 0.034 0.000 0.880 188 L CB 0.598 42.684 42.059 0.045 0.000 1.142 188 L HN 0.258 nan 8.230 nan 0.000 0.473 189 Q N 2.244 122.062 119.800 0.030 0.000 2.390 189 Q HA 0.068 4.408 4.340 -0.000 0.000 0.216 189 Q C 0.244 176.260 176.000 0.027 0.000 0.916 189 Q CA 0.395 56.212 55.803 0.025 0.000 0.911 189 Q CB 0.699 29.449 28.738 0.020 0.000 1.035 189 Q HN 0.673 nan 8.270 nan 0.000 0.541 190 Q N 0.718 120.538 119.800 0.032 0.000 2.304 190 Q HA 0.513 4.853 4.340 -0.000 0.000 0.270 190 Q C -2.106 173.922 176.000 0.047 0.000 1.035 190 Q CA -0.602 55.219 55.803 0.030 0.000 0.781 190 Q CB 1.711 30.464 28.738 0.025 0.000 1.261 190 Q HN 0.182 nan 8.270 nan 0.000 0.444 191 L N 2.911 124.161 121.223 0.046 0.000 2.455 191 L HA 0.751 5.091 4.340 -0.000 0.000 0.264 191 L C -1.707 175.180 176.870 0.028 0.000 0.968 191 L CA -0.003 54.888 54.840 0.084 0.000 0.827 191 L CB 2.447 44.589 42.059 0.139 0.000 1.317 191 L HN 0.732 nan 8.230 nan 0.000 0.407 192 S N 3.046 118.777 115.700 0.051 0.000 2.564 192 S HA 0.956 5.426 4.470 -0.000 0.000 0.274 192 S C -1.029 173.605 174.600 0.056 0.000 1.124 192 S CA -0.533 57.612 58.200 -0.091 0.000 0.869 192 S CB 1.787 64.934 63.200 -0.088 0.000 1.105 192 S HN 1.015 nan 8.310 nan 0.000 0.472 193 F N -1.582 118.381 119.950 0.022 0.000 2.719 193 F HA 0.954 5.481 4.527 -0.000 0.000 0.309 193 F C -0.318 175.495 175.800 0.022 0.000 1.138 193 F CA -0.244 57.774 58.000 0.030 0.000 0.943 193 F CB 0.999 40.015 39.000 0.027 0.000 1.304 193 F HN 1.099 nan 8.300 nan 0.000 0.445 194 G N 0.694 109.665 108.800 0.285 0.000 2.506 194 G HA2 0.424 4.384 3.960 -0.000 0.000 0.292 194 G HA3 0.424 4.384 3.960 -0.000 0.000 0.292 194 G C -1.938 173.055 174.900 0.155 0.000 1.425 194 G CA -0.624 44.594 45.100 0.197 0.000 0.788 194 G HN 1.318 nan 8.290 nan 0.000 0.490 195 N N -1.519 117.247 118.700 0.110 0.000 2.387 195 N HA 0.205 4.945 4.740 -0.000 0.000 0.259 195 N C 0.095 175.650 175.510 0.076 0.000 1.369 195 N CA -0.309 52.793 53.050 0.086 0.000 0.867 195 N CB 1.323 39.842 38.487 0.054 0.000 1.341 195 N HN 0.317 nan 8.380 nan 0.000 0.495 196 Q N -0.216 119.635 119.800 0.086 0.000 2.055 196 Q HA 0.348 4.688 4.340 -0.000 0.000 0.226 196 Q C -0.832 175.207 176.000 0.064 0.000 0.805 196 Q CA -0.158 55.681 55.803 0.061 0.000 1.072 196 Q CB 1.686 30.450 28.738 0.043 0.000 1.219 196 Q HN 0.138 nan 8.270 nan 0.000 0.451 197 V N 0.751 120.729 119.914 0.107 0.000 2.555 197 V HA 0.129 4.249 4.120 -0.000 0.000 0.286 197 V C 0.925 177.072 176.094 0.087 0.000 1.044 197 V CA 0.723 63.086 62.300 0.104 0.000 1.026 197 V CB 1.421 33.364 31.823 0.200 0.000 0.981 197 V HN 0.338 nan 8.190 nan 0.000 0.480 198 T N 1.676 116.262 114.554 0.053 0.000 3.038 198 T HA 0.058 4.408 4.350 -0.000 0.000 0.244 198 T C 0.436 175.161 174.700 0.041 0.000 1.016 198 T CA 0.197 62.323 62.100 0.043 0.000 1.098 198 T CB 0.098 68.981 68.868 0.025 0.000 0.954 198 T HN 0.727 nan 8.240 nan 0.000 0.469 199 D N 1.416 121.832 120.400 0.026 0.000 2.396 199 D HA 0.255 4.895 4.640 -0.000 0.000 0.225 199 D C 0.595 176.904 176.300 0.015 0.000 1.121 199 D CA -0.276 53.733 54.000 0.015 0.000 0.853 199 D CB 0.564 41.362 40.800 -0.003 0.000 1.043 199 D HN 0.140 nan 8.370 nan 0.000 0.500 200 L N 3.394 124.641 121.223 0.040 0.000 2.592 200 L HA 0.121 4.461 4.340 -0.000 0.000 0.227 200 L C 2.063 178.951 176.870 0.030 0.000 1.127 200 L CA 0.016 54.892 54.840 0.059 0.000 0.884 200 L CB 0.043 42.162 42.059 0.099 0.000 1.065 200 L HN 0.314 nan 8.230 nan 0.000 0.457 201 K N 0.650 121.057 120.400 0.011 0.000 2.211 201 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 201 K C -0.604 175.994 176.600 -0.004 0.000 1.047 201 K CA 1.145 57.436 56.287 0.006 0.000 0.935 201 K CB -0.875 31.625 32.500 0.001 0.000 0.728 201 K HN 0.279 nan 8.250 nan 0.000 0.452 202 P HA -0.126 nan 4.420 nan 0.000 0.226 202 P C 0.687 177.977 177.300 -0.016 0.000 1.146 202 P CA 0.971 64.052 63.100 -0.032 0.000 0.773 202 P CB 0.030 31.689 31.700 -0.068 0.000 0.772 203 L N -1.858 119.369 121.223 0.007 0.000 2.552 203 L HA 0.024 4.364 4.340 -0.000 0.000 0.227 203 L C 2.258 179.145 176.870 0.027 0.000 1.146 203 L CA 0.448 55.309 54.840 0.033 0.000 0.858 203 L CB -0.887 41.219 42.059 0.077 0.000 0.969 203 L HN -0.022 nan 8.230 nan 0.000 0.451 204 A N 1.133 123.963 122.820 0.016 0.000 1.940 204 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 204 A C 1.782 179.374 177.584 0.013 0.000 1.176 204 A CA 2.038 54.084 52.037 0.015 0.000 0.631 204 A CB -0.626 18.380 19.000 0.009 0.000 0.814 204 A HN 0.571 nan 8.150 nan 0.000 0.446 205 N N -0.508 118.198 118.700 0.011 0.000 2.270 205 N HA 0.247 4.987 4.740 -0.000 0.000 0.198 205 N C -0.384 175.135 175.510 0.014 0.000 1.117 205 N CA -0.167 52.889 53.050 0.010 0.000 0.845 205 N CB 0.218 38.709 38.487 0.006 0.000 0.980 205 N HN 0.357 nan 8.380 nan 0.000 0.486 206 L N 1.395 122.630 121.223 0.020 0.000 2.536 206 L HA 0.184 4.524 4.340 -0.000 0.000 0.242 206 L C 0.620 177.505 176.870 0.024 0.000 1.280 206 L CA -0.053 54.801 54.840 0.025 0.000 1.221 206 L CB -0.326 41.754 42.059 0.036 0.000 1.449 206 L HN 0.182 nan 8.230 nan 0.000 0.405 207 T N -3.218 111.347 114.554 0.018 0.000 3.088 207 T HA -0.079 4.271 4.350 -0.000 0.000 0.259 207 T C 1.707 176.416 174.700 0.015 0.000 1.122 207 T CA 0.603 62.712 62.100 0.016 0.000 1.095 207 T CB -0.035 68.840 68.868 0.012 0.000 0.930 207 T HN 0.378 nan 8.240 nan 0.000 0.508 208 T N 2.165 116.729 114.554 0.017 0.000 3.160 208 T HA 0.243 4.593 4.350 -0.000 0.000 0.257 208 T C 0.614 175.325 174.700 0.018 0.000 1.147 208 T CA 0.053 62.162 62.100 0.016 0.000 1.064 208 T CB -0.399 68.479 68.868 0.016 0.000 0.949 208 T HN 0.359 nan 8.240 nan 0.000 0.526 209 L N 1.971 123.207 121.223 0.022 0.000 2.477 209 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 209 L C 1.275 178.155 176.870 0.016 0.000 1.157 209 L CA 0.272 55.127 54.840 0.024 0.000 0.889 209 L CB 0.655 42.733 42.059 0.033 0.000 1.158 209 L HN 0.216 nan 8.230 nan 0.000 0.473 210 E N 2.563 122.771 120.200 0.013 0.000 2.330 210 E HA 0.152 4.502 4.350 -0.000 0.000 0.200 210 E C 0.035 176.636 176.600 0.001 0.000 0.922 210 E CA 0.129 56.533 56.400 0.006 0.000 0.935 210 E CB 0.673 30.377 29.700 0.006 0.000 0.917 210 E HN 0.476 nan 8.360 nan 0.000 0.491 211 R N 1.055 121.556 120.500 0.001 0.000 2.476 211 R HA 0.466 4.806 4.340 -0.000 0.000 0.305 211 R C -1.648 174.645 176.300 -0.013 0.000 0.965 211 R CA -0.630 55.464 56.100 -0.009 0.000 0.867 211 R CB 1.831 32.125 30.300 -0.010 0.000 1.176 211 R HN -0.087 nan 8.270 nan 0.000 0.447 212 L N 2.218 123.423 121.223 -0.030 0.000 2.410 212 L HA 0.504 4.844 4.340 -0.000 0.000 0.270 212 L C -1.546 175.263 176.870 -0.100 0.000 0.983 212 L CA -0.339 54.469 54.840 -0.053 0.000 0.822 212 L CB 2.016 44.057 42.059 -0.031 0.000 1.285 212 L HN 0.485 nan 8.230 nan 0.000 0.409 213 D N 4.786 125.088 120.400 -0.164 0.000 2.505 213 D HA 0.363 5.003 4.640 -0.000 0.000 0.250 213 D C 0.083 176.165 176.300 -0.362 0.000 1.164 213 D CA -0.179 53.699 54.000 -0.204 0.000 0.870 213 D CB 1.258 41.959 40.800 -0.165 0.000 1.160 213 D HN 0.629 nan 8.370 nan 0.000 0.549 214 I N 0.222 120.586 120.570 -0.343 0.000 3.856 214 I HA 0.335 4.505 4.170 -0.000 0.000 0.330 214 I C 0.053 176.026 176.117 -0.241 0.000 1.546 214 I CA -0.589 60.435 61.300 -0.461 0.000 1.132 214 I CB 0.473 38.252 38.000 -0.368 0.000 1.157 214 I HN -0.062 nan 8.210 nan 0.000 0.440 215 S N 1.168 116.757 115.700 -0.185 0.000 2.558 215 S HA 0.035 4.505 4.470 -0.000 0.000 0.287 215 S C 0.935 175.484 174.600 -0.085 0.000 1.321 215 S CA 0.426 58.558 58.200 -0.113 0.000 1.048 215 S CB 0.363 63.503 63.200 -0.100 0.000 0.844 215 S HN 0.631 nan 8.310 nan 0.000 0.512 216 S N 2.005 117.675 115.700 -0.049 0.000 3.697 216 S HA -0.124 4.346 4.470 -0.000 0.000 0.388 216 S C 0.091 174.690 174.600 -0.002 0.000 0.941 216 S CA 0.287 58.473 58.200 -0.022 0.000 1.247 216 S CB -1.305 61.884 63.200 -0.019 0.000 0.904 216 S HN 0.738 nan 8.310 nan 0.000 0.518 217 N N 0.604 119.307 118.700 0.005 0.000 3.369 217 N HA 0.441 5.181 4.740 -0.000 0.000 0.362 217 N C 0.053 175.582 175.510 0.032 0.000 1.523 217 N CA -0.762 52.313 53.050 0.041 0.000 0.684 217 N CB 0.653 39.189 38.487 0.081 0.000 1.796 217 N HN 0.178 nan 8.380 nan 0.000 0.641 218 K N 0.774 121.201 120.400 0.044 0.000 2.934 218 K HA 0.352 4.672 4.320 -0.000 0.000 0.210 218 K C -0.899 175.719 176.600 0.031 0.000 1.122 218 K CA -0.118 56.187 56.287 0.030 0.000 1.033 218 K CB 0.960 33.477 32.500 0.029 0.000 0.779 218 K HN 0.126 nan 8.250 nan 0.000 0.459 219 V N 1.760 121.695 119.914 0.034 0.000 2.498 219 V HA 0.028 4.148 4.120 -0.000 0.000 0.279 219 V C 1.200 177.306 176.094 0.020 0.000 1.048 219 V CA 0.163 62.484 62.300 0.035 0.000 0.967 219 V CB 1.434 33.284 31.823 0.046 0.000 0.988 219 V HN 0.475 nan 8.190 nan 0.000 0.473 220 S N 1.915 117.625 115.700 0.018 0.000 2.545 220 S HA 0.099 4.569 4.470 -0.000 0.000 0.232 220 S C 0.572 175.179 174.600 0.011 0.000 1.070 220 S CA -0.039 58.167 58.200 0.011 0.000 0.923 220 S CB 0.157 63.361 63.200 0.008 0.000 0.806 220 S HN 0.683 nan 8.310 nan 0.000 0.506 221 D N 2.350 122.759 120.400 0.016 0.000 2.380 221 D HA 0.284 4.924 4.640 -0.000 0.000 0.230 221 D C 0.570 176.883 176.300 0.020 0.000 1.154 221 D CA -0.655 53.354 54.000 0.015 0.000 0.859 221 D CB 0.592 41.401 40.800 0.014 0.000 1.045 221 D HN 0.565 nan 8.370 nan 0.000 0.495 222 I N 0.958 121.538 120.570 0.016 0.000 3.884 222 I HA 0.133 4.303 4.170 -0.000 0.000 0.330 222 I C 1.444 177.571 176.117 0.016 0.000 1.451 222 I CA -0.409 60.903 61.300 0.019 0.000 1.165 222 I CB 0.013 38.021 38.000 0.013 0.000 1.097 222 I HN 0.151 nan 8.210 nan 0.000 0.404 223 S N 0.789 116.497 115.700 0.014 0.000 2.387 223 S HA -0.234 4.236 4.470 -0.000 0.000 0.230 223 S C 1.882 176.491 174.600 0.014 0.000 1.035 223 S CA 1.547 59.754 58.200 0.011 0.000 1.014 223 S CB -1.028 62.177 63.200 0.009 0.000 0.836 223 S HN 0.473 nan 8.310 nan 0.000 0.466 224 V N 1.876 121.801 119.914 0.019 0.000 2.594 224 V HA -0.013 4.107 4.120 -0.000 0.000 0.253 224 V C 2.153 178.260 176.094 0.022 0.000 1.069 224 V CA 1.469 63.782 62.300 0.021 0.000 1.082 224 V CB -0.674 31.165 31.823 0.027 0.000 0.680 224 V HN 0.624 nan 8.190 nan 0.000 0.469 225 L N 0.221 121.458 121.223 0.023 0.000 2.265 225 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 225 L C 2.704 179.582 176.870 0.013 0.000 1.117 225 L CA 1.253 56.105 54.840 0.020 0.000 0.782 225 L CB -0.924 41.145 42.059 0.016 0.000 0.914 225 L HN 0.429 nan 8.230 nan 0.000 0.441 226 A N 0.342 123.168 122.820 0.011 0.000 2.076 226 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 226 A C 2.255 179.844 177.584 0.008 0.000 1.160 226 A CA 1.475 53.516 52.037 0.007 0.000 0.653 226 A CB -0.297 18.706 19.000 0.006 0.000 0.801 226 A HN 0.378 nan 8.150 nan 0.000 0.455 227 K N -0.661 119.745 120.400 0.011 0.000 2.365 227 K HA 0.195 4.515 4.320 -0.000 0.000 0.197 227 K C -0.023 176.584 176.600 0.012 0.000 1.042 227 K CA 0.241 56.535 56.287 0.011 0.000 0.987 227 K CB -0.000 32.507 32.500 0.012 0.000 0.779 227 K HN 0.418 nan 8.250 nan 0.000 0.484 228 L N 2.433 123.664 121.223 0.013 0.000 2.648 228 L HA 0.096 4.436 4.340 -0.000 0.000 0.238 228 L C 1.054 177.930 176.870 0.010 0.000 1.316 228 L CA -0.237 54.611 54.840 0.014 0.000 1.241 228 L CB -0.189 41.882 42.059 0.020 0.000 1.499 228 L HN 0.173 nan 8.230 nan 0.000 0.411 229 T N -4.442 110.117 114.554 0.008 0.000 3.118 229 T HA -0.031 4.319 4.350 -0.000 0.000 0.260 229 T C 1.289 175.992 174.700 0.004 0.000 1.139 229 T CA 0.359 62.462 62.100 0.005 0.000 1.085 229 T CB -0.113 68.758 68.868 0.004 0.000 0.934 229 T HN 0.333 nan 8.240 nan 0.000 0.518 230 N N 0.915 119.618 118.700 0.006 0.000 2.336 230 N HA 0.225 4.965 4.740 -0.000 0.000 0.189 230 N C 0.202 175.714 175.510 0.004 0.000 1.113 230 N CA -0.031 53.022 53.050 0.005 0.000 0.858 230 N CB -0.060 38.432 38.487 0.007 0.000 0.970 230 N HN 0.470 nan 8.380 nan 0.000 0.471 231 L N 1.312 122.537 121.223 0.004 0.000 2.540 231 L HA -0.037 4.303 4.340 -0.000 0.000 0.276 231 L C 1.315 178.184 176.870 -0.002 0.000 1.212 231 L CA 0.473 55.313 54.840 0.001 0.000 0.893 231 L CB 0.596 42.655 42.059 0.000 0.000 1.138 231 L HN 0.092 nan 8.230 nan 0.000 0.491 232 E N 0.741 120.938 120.200 -0.004 0.000 2.330 232 E HA 0.048 4.398 4.350 -0.000 0.000 0.200 232 E C 0.132 176.725 176.600 -0.011 0.000 0.922 232 E CA 0.059 56.455 56.400 -0.007 0.000 0.935 232 E CB 0.888 30.585 29.700 -0.005 0.000 0.917 232 E HN 0.481 nan 8.360 nan 0.000 0.491 233 S N 0.849 116.540 115.700 -0.014 0.000 2.594 233 S HA 0.493 4.963 4.470 -0.000 0.000 0.296 233 S C -1.666 172.919 174.600 -0.026 0.000 1.124 233 S CA -0.745 57.443 58.200 -0.020 0.000 1.011 233 S CB 0.990 64.176 63.200 -0.023 0.000 1.016 233 S HN 0.096 nan 8.310 nan 0.000 0.485 234 L N 6.381 127.586 121.223 -0.029 0.000 2.372 234 L HA 0.711 5.051 4.340 -0.000 0.000 0.274 234 L C -1.623 175.219 176.870 -0.046 0.000 0.988 234 L CA -0.294 54.524 54.840 -0.036 0.000 0.833 234 L CB 1.234 43.276 42.059 -0.027 0.000 1.236 234 L HN 0.723 nan 8.230 nan 0.000 0.410 235 I N 5.635 126.167 120.570 -0.063 0.000 2.420 235 I HA 0.574 4.744 4.170 -0.000 0.000 0.282 235 I C 0.169 176.234 176.117 -0.086 0.000 1.019 235 I CA -0.212 61.046 61.300 -0.069 0.000 1.130 235 I CB 1.856 39.812 38.000 -0.074 0.000 1.262 235 I HN 0.788 nan 8.210 nan 0.000 0.454 236 A N 4.142 126.920 122.820 -0.070 0.000 2.956 236 A HA 0.372 4.692 4.320 -0.000 0.000 0.294 236 A C 0.495 178.045 177.584 -0.056 0.000 0.993 236 A CA -0.424 51.571 52.037 -0.069 0.000 1.032 236 A CB -0.157 18.812 19.000 -0.052 0.000 1.129 236 A HN 0.628 nan 8.150 nan 0.000 0.505 237 T N -1.377 113.142 114.554 -0.059 0.000 2.868 237 T HA 0.330 4.680 4.350 -0.000 0.000 0.292 237 T C 0.334 175.009 174.700 -0.042 0.000 1.028 237 T CA -0.110 61.962 62.100 -0.047 0.000 1.059 237 T CB 0.238 69.077 68.868 -0.047 0.000 0.991 237 T HN 0.475 nan 8.240 nan 0.000 0.531 238 N N 2.149 120.830 118.700 -0.032 0.000 2.708 238 N HA -0.151 4.589 4.740 -0.000 0.000 0.255 238 N C -0.641 174.857 175.510 -0.020 0.000 1.046 238 N CA 0.553 53.587 53.050 -0.025 0.000 0.715 238 N CB -1.392 37.080 38.487 -0.026 0.000 0.895 238 N HN 0.736 nan 8.380 nan 0.000 0.545 239 N N 0.067 118.756 118.700 -0.018 0.000 3.294 239 N HA 0.322 5.062 4.740 -0.000 0.000 0.355 239 N C 0.143 175.649 175.510 -0.007 0.000 1.497 239 N CA -0.401 52.643 53.050 -0.009 0.000 0.707 239 N CB 0.493 38.974 38.487 -0.010 0.000 1.732 239 N HN 0.026 nan 8.380 nan 0.000 0.640 240 Q N 0.950 120.748 119.800 -0.002 0.000 2.182 240 Q HA 0.432 4.772 4.340 -0.000 0.000 0.270 240 Q C -0.534 175.464 176.000 -0.003 0.000 0.861 240 Q CA -0.167 55.634 55.803 -0.002 0.000 1.098 240 Q CB 0.341 29.081 28.738 0.002 0.000 1.188 240 Q HN 0.480 nan 8.270 nan 0.000 0.464 241 I N 1.435 122.001 120.570 -0.005 0.000 2.416 241 I HA 0.016 4.186 4.170 -0.000 0.000 0.288 241 I C 1.242 177.355 176.117 -0.007 0.000 1.051 241 I CA 0.199 61.496 61.300 -0.005 0.000 1.375 241 I CB 1.149 39.145 38.000 -0.007 0.000 1.407 241 I HN 0.079 nan 8.210 nan 0.000 0.516 242 S N 2.023 117.719 115.700 -0.006 0.000 2.554 242 S HA 0.101 4.571 4.470 -0.000 0.000 0.227 242 S C 0.218 174.814 174.600 -0.006 0.000 1.050 242 S CA -0.364 57.832 58.200 -0.007 0.000 0.927 242 S CB 0.170 63.366 63.200 -0.006 0.000 0.859 242 S HN 0.653 nan 8.310 nan 0.000 0.494 243 D N 1.949 122.346 120.400 -0.004 0.000 2.414 243 D HA 0.392 5.032 4.640 -0.000 0.000 0.232 243 D C 0.493 176.791 176.300 -0.004 0.000 1.070 243 D CA -0.770 53.228 54.000 -0.004 0.000 0.839 243 D CB 0.984 41.783 40.800 -0.002 0.000 1.079 243 D HN 0.446 nan 8.370 nan 0.000 0.521 244 I N 0.940 121.507 120.570 -0.005 0.000 3.941 244 I HA 0.172 4.342 4.170 -0.000 0.000 0.335 244 I C 1.418 177.533 176.117 -0.004 0.000 1.402 244 I CA -0.275 61.022 61.300 -0.005 0.000 1.112 244 I CB 0.051 38.046 38.000 -0.008 0.000 1.043 244 I HN 0.250 nan 8.210 nan 0.000 0.395 245 T N -0.607 113.945 114.554 -0.003 0.000 2.849 245 T HA 0.001 4.351 4.350 -0.000 0.000 0.270 245 T C -0.388 174.311 174.700 -0.001 0.000 1.066 245 T CA 1.096 63.195 62.100 -0.003 0.000 1.130 245 T CB -1.878 66.989 68.868 -0.002 0.000 0.864 245 T HN 0.299 nan 8.240 nan 0.000 0.481 246 P HA 0.078 nan 4.420 nan 0.000 0.221 246 P C 1.268 178.569 177.300 0.001 0.000 1.145 246 P CA 0.704 63.805 63.100 0.002 0.000 0.795 246 P CB -0.316 31.387 31.700 0.004 0.000 0.775 247 L N -2.024 119.198 121.223 -0.001 0.000 2.552 247 L HA 0.079 4.419 4.340 -0.000 0.000 0.227 247 L C 2.449 179.317 176.870 -0.003 0.000 1.146 247 L CA 0.696 55.534 54.840 -0.003 0.000 0.858 247 L CB -1.215 40.840 42.059 -0.006 0.000 0.969 247 L HN 0.053 nan 8.230 nan 0.000 0.451 248 G N 2.011 110.809 108.800 -0.003 0.000 2.469 248 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 248 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 248 G C 1.432 176.331 174.900 -0.002 0.000 1.150 248 G CA 1.054 46.152 45.100 -0.003 0.000 0.763 248 G HN 0.610 nan 8.290 nan 0.000 0.561 249 I N -1.717 118.852 120.570 -0.001 0.000 3.812 249 I HA 0.375 4.545 4.170 -0.000 0.000 0.320 249 I C 0.555 176.671 176.117 -0.001 0.000 1.276 249 I CA -0.083 61.217 61.300 -0.001 0.000 1.164 249 I CB 0.068 38.068 38.000 0.000 0.000 1.009 249 I HN -0.099 nan 8.210 nan 0.000 0.431 250 L N 2.892 124.114 121.223 -0.001 0.000 2.727 250 L HA 0.157 4.497 4.340 -0.000 0.000 0.237 250 L C 1.594 178.462 176.870 -0.003 0.000 1.370 250 L CA -0.124 54.715 54.840 -0.002 0.000 1.248 250 L CB -0.433 41.625 42.059 -0.002 0.000 1.556 250 L HN 0.381 nan 8.230 nan 0.000 0.420 251 T N -4.640 109.912 114.554 -0.003 0.000 3.085 251 T HA -0.087 4.263 4.350 -0.000 0.000 0.263 251 T C 1.391 176.089 174.700 -0.004 0.000 1.127 251 T CA 0.531 62.629 62.100 -0.004 0.000 1.103 251 T CB -0.121 68.746 68.868 -0.003 0.000 0.921 251 T HN 0.271 nan 8.240 nan 0.000 0.510 252 N N 0.398 119.096 118.700 -0.003 0.000 2.515 252 N HA 0.205 4.945 4.740 -0.000 0.000 0.185 252 N C 0.005 175.512 175.510 -0.005 0.000 1.109 252 N CA 0.030 53.078 53.050 -0.003 0.000 0.903 252 N CB -0.511 37.974 38.487 -0.002 0.000 0.969 252 N HN 0.490 nan 8.380 nan 0.000 0.450 253 L N 0.808 122.027 121.223 -0.006 0.000 2.513 253 L HA 0.001 4.341 4.340 -0.000 0.000 0.272 253 L C 0.841 177.705 176.870 -0.010 0.000 1.187 253 L CA 0.078 54.913 54.840 -0.009 0.000 0.895 253 L CB 0.661 42.714 42.059 -0.010 0.000 1.147 253 L HN 0.295 nan 8.230 nan 0.000 0.483 254 D N 0.489 120.882 120.400 -0.011 0.000 2.423 254 D HA 0.015 4.655 4.640 -0.000 0.000 0.208 254 D C 0.336 176.628 176.300 -0.015 0.000 1.068 254 D CA -0.188 53.804 54.000 -0.012 0.000 0.860 254 D CB 0.518 41.312 40.800 -0.011 0.000 0.992 254 D HN 0.471 nan 8.370 nan 0.000 0.504 255 E N 0.083 120.273 120.200 -0.016 0.000 2.263 255 E HA 0.487 4.837 4.350 -0.000 0.000 0.268 255 E C -2.034 174.553 176.600 -0.022 0.000 0.884 255 E CA -1.087 55.301 56.400 -0.019 0.000 0.766 255 E CB 1.735 31.422 29.700 -0.021 0.000 1.196 255 E HN 0.088 nan 8.360 nan 0.000 0.416 256 L N 3.237 124.446 121.223 -0.023 0.000 2.470 256 L HA 0.543 4.883 4.340 -0.000 0.000 0.268 256 L C -1.714 175.139 176.870 -0.028 0.000 0.964 256 L CA -0.228 54.597 54.840 -0.025 0.000 0.839 256 L CB 2.180 44.226 42.059 -0.021 0.000 1.276 256 L HN 0.411 nan 8.230 nan 0.000 0.403 257 S N 4.868 120.549 115.700 -0.032 0.000 2.605 257 S HA 0.682 5.152 4.470 -0.000 0.000 0.308 257 S C -0.329 174.249 174.600 -0.035 0.000 1.113 257 S CA -0.444 57.735 58.200 -0.034 0.000 1.049 257 S CB 0.815 63.992 63.200 -0.038 0.000 1.001 257 S HN 0.695 nan 8.310 nan 0.000 0.480 258 L N 3.836 125.040 121.223 -0.032 0.000 3.168 258 L HA 0.386 4.726 4.340 -0.000 0.000 0.277 258 L C 0.604 177.455 176.870 -0.031 0.000 1.245 258 L CA -0.415 54.407 54.840 -0.030 0.000 1.035 258 L CB 0.182 42.226 42.059 -0.026 0.000 1.399 258 L HN 0.563 nan 8.230 nan 0.000 0.580 259 N N 2.397 121.077 118.700 -0.033 0.000 2.294 259 N HA -0.009 4.731 4.740 -0.000 0.000 0.263 259 N C 0.863 176.354 175.510 -0.031 0.000 1.281 259 N CA 1.659 54.689 53.050 -0.033 0.000 0.846 259 N CB 0.739 39.206 38.487 -0.033 0.000 1.061 259 N HN 0.440 nan 8.380 nan 0.000 0.478 260 G N 2.431 111.213 108.800 -0.030 0.000 2.452 260 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.275 260 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.275 260 G C -0.224 174.661 174.900 -0.024 0.000 1.131 260 G CA -0.210 44.873 45.100 -0.027 0.000 1.031 260 G HN 0.742 nan 8.290 nan 0.000 0.511 261 N N -0.862 117.824 118.700 -0.023 0.000 3.566 261 N HA 0.527 5.267 4.740 -0.000 0.000 0.354 261 N C 0.055 175.554 175.510 -0.019 0.000 1.632 261 N CA -0.533 52.505 53.050 -0.019 0.000 0.690 261 N CB 0.729 39.205 38.487 -0.019 0.000 2.273 261 N HN 0.225 nan 8.380 nan 0.000 0.643 262 Q N 0.885 120.675 119.800 -0.016 0.000 2.506 262 Q HA 0.433 4.773 4.340 -0.000 0.000 0.380 262 Q C -1.111 174.880 176.000 -0.015 0.000 0.867 262 Q CA -0.213 55.580 55.803 -0.016 0.000 1.093 262 Q CB 0.668 29.399 28.738 -0.013 0.000 1.388 262 Q HN 0.280 nan 8.270 nan 0.000 0.400 263 L N 0.999 122.212 121.223 -0.017 0.000 2.426 263 L HA 0.203 4.543 4.340 -0.000 0.000 0.271 263 L C 1.050 177.910 176.870 -0.016 0.000 1.169 263 L CA 0.929 55.759 54.840 -0.016 0.000 0.836 263 L CB 0.710 42.758 42.059 -0.018 0.000 1.112 263 L HN 0.294 nan 8.230 nan 0.000 0.465 264 K N 0.663 121.055 120.400 -0.014 0.000 2.757 264 K HA 0.104 4.424 4.320 -0.000 0.000 0.201 264 K C -0.321 176.271 176.600 -0.013 0.000 1.495 264 K CA -0.335 55.944 56.287 -0.014 0.000 1.090 264 K CB 0.345 32.837 32.500 -0.013 0.000 1.796 264 K HN 0.585 nan 8.250 nan 0.000 0.523 265 D N 1.990 122.383 120.400 -0.011 0.000 2.336 265 D HA 0.086 4.726 4.640 -0.000 0.000 0.249 265 D C 0.413 176.707 176.300 -0.011 0.000 1.213 265 D CA -0.302 53.692 54.000 -0.010 0.000 0.870 265 D CB 0.770 41.565 40.800 -0.008 0.000 1.076 265 D HN 0.399 nan 8.370 nan 0.000 0.483 266 I N 0.948 121.511 120.570 -0.011 0.000 3.877 266 I HA 0.431 4.601 4.170 -0.000 0.000 0.332 266 I C 1.550 177.661 176.117 -0.010 0.000 1.525 266 I CA -0.800 60.493 61.300 -0.012 0.000 1.146 266 I CB 0.579 38.571 38.000 -0.014 0.000 1.137 266 I HN 0.343 nan 8.210 nan 0.000 0.424 267 G N 1.672 110.467 108.800 -0.009 0.000 2.469 267 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 267 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 267 G C 1.403 176.298 174.900 -0.008 0.000 1.136 267 G CA 1.775 46.870 45.100 -0.008 0.000 0.759 267 G HN 0.427 nan 8.290 nan 0.000 0.562 268 T N 1.415 115.965 114.554 -0.007 0.000 2.803 268 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 268 T C 2.308 177.003 174.700 -0.008 0.000 1.052 268 T CA 0.895 62.991 62.100 -0.007 0.000 1.136 268 T CB -0.195 68.669 68.868 -0.006 0.000 0.864 268 T HN 0.227 nan 8.240 nan 0.000 0.467 269 L N 0.769 121.987 121.223 -0.009 0.000 2.353 269 L HA -0.035 4.305 4.340 -0.000 0.000 0.220 269 L C 2.928 179.793 176.870 -0.009 0.000 1.133 269 L CA 0.611 55.445 54.840 -0.010 0.000 0.798 269 L CB -0.739 41.312 42.059 -0.012 0.000 0.922 269 L HN 0.238 nan 8.230 nan 0.000 0.445 270 A N 0.463 123.278 122.820 -0.008 0.000 2.024 270 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 270 A C 2.506 180.086 177.584 -0.007 0.000 1.164 270 A CA 1.962 53.995 52.037 -0.008 0.000 0.643 270 A CB -0.501 18.495 19.000 -0.007 0.000 0.806 270 A HN 0.545 nan 8.150 nan 0.000 0.451 271 S N -0.645 115.051 115.700 -0.006 0.000 2.489 271 S HA 0.156 4.626 4.470 -0.000 0.000 0.228 271 S C 0.742 175.339 174.600 -0.006 0.000 0.995 271 S CA 0.162 58.359 58.200 -0.006 0.000 0.934 271 S CB -0.446 62.751 63.200 -0.005 0.000 0.771 271 S HN 0.391 nan 8.310 nan 0.000 0.522 272 L N 3.432 124.651 121.223 -0.007 0.000 2.536 272 L HA 0.263 4.603 4.340 -0.000 0.000 0.242 272 L C 1.425 178.290 176.870 -0.008 0.000 1.280 272 L CA -0.157 54.679 54.840 -0.008 0.000 1.221 272 L CB -0.393 41.661 42.059 -0.009 0.000 1.449 272 L HN 0.400 nan 8.230 nan 0.000 0.405 273 T N -4.320 110.230 114.554 -0.007 0.000 3.118 273 T HA -0.019 4.331 4.350 -0.000 0.000 0.260 273 T C 1.294 175.989 174.700 -0.008 0.000 1.139 273 T CA 0.259 62.354 62.100 -0.007 0.000 1.085 273 T CB -0.071 68.793 68.868 -0.006 0.000 0.934 273 T HN 0.347 nan 8.240 nan 0.000 0.518 274 N N 1.030 119.725 118.700 -0.008 0.000 2.398 274 N HA 0.212 4.952 4.740 -0.000 0.000 0.188 274 N C 0.168 175.672 175.510 -0.010 0.000 1.122 274 N CA -0.001 53.044 53.050 -0.008 0.000 0.866 274 N CB -0.026 38.456 38.487 -0.007 0.000 0.970 274 N HN 0.470 nan 8.380 nan 0.000 0.462 275 L N 1.249 122.466 121.223 -0.011 0.000 2.499 275 L HA 0.002 4.342 4.340 -0.000 0.000 0.273 275 L C 1.696 178.558 176.870 -0.013 0.000 1.195 275 L CA 0.292 55.125 54.840 -0.013 0.000 0.882 275 L CB 0.631 42.682 42.059 -0.013 0.000 1.133 275 L HN 0.147 nan 8.230 nan 0.000 0.483 276 T N -3.004 111.541 114.554 -0.015 0.000 2.971 276 T HA 0.112 4.462 4.350 -0.000 0.000 0.252 276 T C 0.153 174.842 174.700 -0.019 0.000 1.022 276 T CA -0.236 61.855 62.100 -0.016 0.000 0.980 276 T CB 0.363 69.221 68.868 -0.016 0.000 1.044 276 T HN 0.465 nan 8.240 nan 0.000 0.501 277 D N 0.599 120.987 120.400 -0.019 0.000 2.478 277 D HA 0.458 5.098 4.640 -0.000 0.000 0.240 277 D C -1.831 174.456 176.300 -0.020 0.000 1.364 277 D CA -0.540 53.448 54.000 -0.020 0.000 0.987 277 D CB 1.665 42.453 40.800 -0.021 0.000 1.328 277 D HN 0.229 nan 8.370 nan 0.000 0.584 278 L N 3.546 124.757 121.223 -0.020 0.000 2.381 278 L HA 0.596 4.936 4.340 -0.000 0.000 0.274 278 L C -1.528 175.329 176.870 -0.023 0.000 0.988 278 L CA -0.433 54.394 54.840 -0.021 0.000 0.824 278 L CB 1.895 43.942 42.059 -0.020 0.000 1.263 278 L HN 0.190 nan 8.230 nan 0.000 0.410 279 D N 4.838 125.223 120.400 -0.025 0.000 2.471 279 D HA 0.379 5.019 4.640 -0.000 0.000 0.245 279 D C -0.386 175.897 176.300 -0.029 0.000 1.116 279 D CA -0.080 53.904 54.000 -0.027 0.000 0.853 279 D CB 1.123 41.906 40.800 -0.028 0.000 1.123 279 D HN 0.639 nan 8.370 nan 0.000 0.540 280 L N 2.339 123.544 121.223 -0.031 0.000 3.168 280 L HA 0.467 4.807 4.340 -0.000 0.000 0.277 280 L C 0.894 177.742 176.870 -0.035 0.000 1.245 280 L CA -0.553 54.269 54.840 -0.031 0.000 1.035 280 L CB 0.590 42.632 42.059 -0.028 0.000 1.399 280 L HN 0.318 nan 8.230 nan 0.000 0.580 281 A N 0.019 122.816 122.820 -0.039 0.000 2.406 281 A HA 0.252 4.572 4.320 -0.000 0.000 0.243 281 A C 0.715 178.274 177.584 -0.041 0.000 1.082 281 A CA -0.014 51.996 52.037 -0.045 0.000 0.786 281 A CB 0.003 18.976 19.000 -0.046 0.000 1.029 281 A HN 0.595 nan 8.150 nan 0.000 0.495 282 N N 0.863 119.536 118.700 -0.045 0.000 2.708 282 N HA -0.134 4.606 4.740 -0.000 0.000 0.255 282 N C -0.474 175.014 175.510 -0.036 0.000 1.046 282 N CA 1.162 54.187 53.050 -0.042 0.000 0.715 282 N CB -1.134 37.331 38.487 -0.036 0.000 0.895 282 N HN 0.756 nan 8.380 nan 0.000 0.545 283 N N 0.200 118.878 118.700 -0.037 0.000 3.513 283 N HA 0.304 5.044 4.740 -0.000 0.000 0.351 283 N C 0.046 175.537 175.510 -0.031 0.000 1.624 283 N CA -0.382 52.649 53.050 -0.031 0.000 0.712 283 N CB 0.479 38.949 38.487 -0.028 0.000 2.106 283 N HN 0.145 nan 8.380 nan 0.000 0.649 284 Q N 0.537 120.321 119.800 -0.027 0.000 2.129 284 Q HA 0.460 4.800 4.340 -0.000 0.000 0.274 284 Q C -0.627 175.359 176.000 -0.022 0.000 0.854 284 Q CA -0.098 55.690 55.803 -0.025 0.000 1.123 284 Q CB 0.656 29.381 28.738 -0.021 0.000 1.226 284 Q HN 0.420 nan 8.270 nan 0.000 0.454 285 I N 1.013 121.569 120.570 -0.024 0.000 2.441 285 I HA 0.004 4.174 4.170 -0.000 0.000 0.287 285 I C 1.228 177.332 176.117 -0.021 0.000 1.049 285 I CA 0.243 61.530 61.300 -0.022 0.000 1.381 285 I CB 1.333 39.319 38.000 -0.024 0.000 1.409 285 I HN 0.215 nan 8.210 nan 0.000 0.523 286 S N 3.416 119.105 115.700 -0.018 0.000 2.665 286 S HA 0.108 4.578 4.470 -0.000 0.000 0.240 286 S C 0.677 175.268 174.600 -0.015 0.000 1.081 286 S CA -0.267 57.923 58.200 -0.016 0.000 0.887 286 S CB 0.111 63.303 63.200 -0.013 0.000 0.805 286 S HN 0.632 nan 8.310 nan 0.000 0.486 287 N N 1.778 120.470 118.700 -0.014 0.000 2.462 287 N HA 0.365 5.105 4.740 -0.000 0.000 0.242 287 N C 0.075 175.577 175.510 -0.014 0.000 1.010 287 N CA -0.276 52.766 53.050 -0.013 0.000 0.939 287 N CB 0.855 39.336 38.487 -0.011 0.000 1.127 287 N HN 0.387 nan 8.380 nan 0.000 0.509 288 L N 2.353 123.568 121.223 -0.014 0.000 2.592 288 L HA 0.191 4.531 4.340 -0.000 0.000 0.227 288 L C 2.071 178.934 176.870 -0.013 0.000 1.127 288 L CA -0.023 54.809 54.840 -0.015 0.000 0.884 288 L CB -0.119 41.931 42.059 -0.016 0.000 1.065 288 L HN 0.489 nan 8.230 nan 0.000 0.457 289 A N 1.336 124.149 122.820 -0.011 0.000 1.948 289 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 289 A C -0.146 177.433 177.584 -0.010 0.000 1.177 289 A CA 1.471 53.502 52.037 -0.010 0.000 0.636 289 A CB -1.475 17.519 19.000 -0.009 0.000 0.815 289 A HN 0.282 nan 8.150 nan 0.000 0.449 290 P HA -0.081 nan 4.420 nan 0.000 0.225 290 P C 0.950 178.244 177.300 -0.010 0.000 1.148 290 P CA 0.724 63.818 63.100 -0.010 0.000 0.779 290 P CB -0.070 31.624 31.700 -0.010 0.000 0.780 291 L N -1.233 119.983 121.223 -0.012 0.000 2.558 291 L HA 0.015 4.355 4.340 -0.000 0.000 0.225 291 L C 2.236 179.099 176.870 -0.011 0.000 1.128 291 L CA 0.792 55.624 54.840 -0.012 0.000 0.868 291 L CB -0.821 41.230 42.059 -0.014 0.000 1.006 291 L HN 0.080 nan 8.230 nan 0.000 0.454 292 S N -0.008 115.686 115.700 -0.010 0.000 2.419 292 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 292 S C 1.822 176.417 174.600 -0.009 0.000 1.016 292 S CA 1.051 59.245 58.200 -0.010 0.000 0.974 292 S CB -0.574 62.620 63.200 -0.009 0.000 0.786 292 S HN 0.419 nan 8.310 nan 0.000 0.492 293 G N 0.652 109.447 108.800 -0.009 0.000 3.042 293 G HA2 0.361 4.321 3.960 -0.000 0.000 0.212 293 G HA3 0.361 4.321 3.960 -0.000 0.000 0.212 293 G C 0.457 175.352 174.900 -0.008 0.000 1.166 293 G CA -0.401 44.694 45.100 -0.008 0.000 0.767 293 G HN 0.515 nan 8.290 nan 0.000 0.546 294 L N 2.742 123.960 121.223 -0.009 0.000 2.480 294 L HA 0.156 4.496 4.340 -0.000 0.000 0.243 294 L C 1.817 178.681 176.870 -0.010 0.000 1.315 294 L CA -0.167 54.667 54.840 -0.010 0.000 1.231 294 L CB -0.049 42.003 42.059 -0.011 0.000 1.444 294 L HN 0.183 nan 8.230 nan 0.000 0.409 295 T N -4.218 110.330 114.554 -0.009 0.000 3.113 295 T HA -0.029 4.321 4.350 -0.000 0.000 0.256 295 T C 1.463 176.157 174.700 -0.010 0.000 1.131 295 T CA 0.249 62.344 62.100 -0.009 0.000 1.074 295 T CB -0.013 68.850 68.868 -0.008 0.000 0.944 295 T HN 0.356 nan 8.240 nan 0.000 0.516 296 K N 0.639 121.033 120.400 -0.010 0.000 2.486 296 K HA 0.226 4.546 4.320 -0.000 0.000 0.194 296 K C 0.374 176.965 176.600 -0.013 0.000 1.033 296 K CA -0.003 56.277 56.287 -0.011 0.000 1.004 296 K CB -0.227 32.267 32.500 -0.011 0.000 0.798 296 K HN 0.426 nan 8.250 nan 0.000 0.495 297 L N 2.038 123.253 121.223 -0.014 0.000 2.513 297 L HA -0.058 4.282 4.340 -0.000 0.000 0.272 297 L C 1.580 178.440 176.870 -0.018 0.000 1.187 297 L CA 0.193 55.023 54.840 -0.016 0.000 0.895 297 L CB 0.566 42.616 42.059 -0.015 0.000 1.147 297 L HN 0.249 nan 8.230 nan 0.000 0.483 298 T N -1.388 113.154 114.554 -0.022 0.000 2.990 298 T HA 0.195 4.545 4.350 -0.000 0.000 0.249 298 T C 0.475 175.156 174.700 -0.031 0.000 1.039 298 T CA -0.188 61.896 62.100 -0.027 0.000 1.036 298 T CB 0.338 69.187 68.868 -0.031 0.000 0.994 298 T HN 0.542 nan 8.240 nan 0.000 0.489 299 E N 0.753 120.937 120.200 -0.027 0.000 2.246 299 E HA 0.599 4.949 4.350 -0.000 0.000 0.266 299 E C -2.068 174.521 176.600 -0.019 0.000 0.880 299 E CA -0.898 55.487 56.400 -0.025 0.000 0.762 299 E CB 2.670 32.353 29.700 -0.028 0.000 1.180 299 E HN 0.119 nan 8.360 nan 0.000 0.416 300 L N 2.622 123.836 121.223 -0.015 0.000 2.504 300 L HA 0.378 4.718 4.340 -0.000 0.000 0.265 300 L C -1.602 175.257 176.870 -0.018 0.000 0.975 300 L CA -0.430 54.400 54.840 -0.017 0.000 0.864 300 L CB 1.270 43.319 42.059 -0.017 0.000 1.212 300 L HN 0.327 nan 8.230 nan 0.000 0.416 301 K N 5.587 125.973 120.400 -0.023 0.000 2.293 301 K HA 0.578 4.898 4.320 -0.000 0.000 0.267 301 K C -0.052 176.524 176.600 -0.040 0.000 1.010 301 K CA -0.083 56.185 56.287 -0.031 0.000 0.875 301 K CB 1.269 33.753 32.500 -0.028 0.000 1.106 301 K HN 0.648 nan 8.250 nan 0.000 0.450 302 L N 2.174 123.366 121.223 -0.052 0.000 3.267 302 L HA 0.262 4.602 4.340 -0.000 0.000 0.289 302 L C 0.775 177.599 176.870 -0.077 0.000 1.260 302 L CA -0.569 54.238 54.840 -0.056 0.000 1.034 302 L CB 1.071 43.101 42.059 -0.048 0.000 1.413 302 L HN 0.698 nan 8.230 nan 0.000 0.594 303 G N 0.256 108.997 108.800 -0.097 0.000 2.484 303 G HA2 0.317 4.277 3.960 -0.000 0.000 0.235 303 G HA3 0.317 4.277 3.960 -0.000 0.000 0.235 303 G C 0.788 175.626 174.900 -0.103 0.000 1.282 303 G CA 0.434 45.452 45.100 -0.136 0.000 0.857 303 G HN 0.493 nan 8.290 nan 0.000 0.571 304 A N 1.292 124.044 122.820 -0.113 0.000 2.429 304 A HA -0.147 4.173 4.320 -0.000 0.000 0.290 304 A C 0.585 178.128 177.584 -0.067 0.000 1.439 304 A CA 0.896 52.881 52.037 -0.087 0.000 0.731 304 A CB -1.892 17.062 19.000 -0.077 0.000 1.138 304 A HN 0.822 nan 8.150 nan 0.000 0.384 305 N N -0.722 117.941 118.700 -0.062 0.000 3.566 305 N HA 0.505 5.245 4.740 -0.000 0.000 0.354 305 N C 0.170 175.656 175.510 -0.039 0.000 1.632 305 N CA -0.472 52.550 53.050 -0.047 0.000 0.690 305 N CB 0.650 39.110 38.487 -0.044 0.000 2.273 305 N HN 0.508 nan 8.380 nan 0.000 0.643 306 Q N 0.732 120.514 119.800 -0.031 0.000 2.217 306 Q HA 0.461 4.801 4.340 -0.000 0.000 0.340 306 Q C -0.748 175.240 176.000 -0.020 0.000 0.893 306 Q CA -0.078 55.711 55.803 -0.023 0.000 1.142 306 Q CB 0.537 29.263 28.738 -0.019 0.000 1.288 306 Q HN 0.402 nan 8.270 nan 0.000 0.426 307 I N 0.482 121.038 120.570 -0.024 0.000 2.352 307 I HA 0.074 4.244 4.170 -0.000 0.000 0.290 307 I C 0.892 177.000 176.117 -0.016 0.000 1.036 307 I CA 0.237 61.524 61.300 -0.021 0.000 1.336 307 I CB 1.552 39.535 38.000 -0.028 0.000 1.407 307 I HN 0.156 nan 8.210 nan 0.000 0.497 308 S N 4.147 119.840 115.700 -0.012 0.000 2.497 308 S HA 0.111 4.581 4.470 -0.000 0.000 0.218 308 S C 0.519 175.113 174.600 -0.010 0.000 1.023 308 S CA 0.008 58.203 58.200 -0.008 0.000 0.913 308 S CB -0.025 63.172 63.200 -0.005 0.000 0.800 308 S HN 0.710 nan 8.310 nan 0.000 0.505 309 N N 1.000 119.693 118.700 -0.012 0.000 2.397 309 N HA 0.284 5.024 4.740 -0.000 0.000 0.291 309 N C -0.662 174.840 175.510 -0.015 0.000 1.065 309 N CA -0.233 52.810 53.050 -0.012 0.000 0.884 309 N CB 1.631 40.111 38.487 -0.010 0.000 1.551 309 N HN 0.182 nan 8.380 nan 0.000 0.487 310 I N 0.761 121.321 120.570 -0.015 0.000 3.927 310 I HA 0.193 4.363 4.170 -0.000 0.000 0.332 310 I C 1.508 177.617 176.117 -0.014 0.000 1.485 310 I CA -0.367 60.923 61.300 -0.016 0.000 1.131 310 I CB 0.226 38.215 38.000 -0.019 0.000 1.092 310 I HN 0.320 nan 8.210 nan 0.000 0.410 311 S N 1.810 117.503 115.700 -0.013 0.000 2.387 311 S HA -0.032 4.438 4.470 -0.000 0.000 0.230 311 S C -0.416 174.177 174.600 -0.011 0.000 1.035 311 S CA 1.092 59.285 58.200 -0.011 0.000 1.014 311 S CB -2.059 61.135 63.200 -0.010 0.000 0.836 311 S HN 0.387 nan 8.310 nan 0.000 0.466 312 P HA 0.091 nan 4.420 nan 0.000 0.228 312 P C 0.958 178.251 177.300 -0.011 0.000 1.151 312 P CA 0.681 63.774 63.100 -0.011 0.000 0.770 312 P CB -0.207 31.487 31.700 -0.011 0.000 0.786 313 L N -1.963 119.252 121.223 -0.012 0.000 2.558 313 L HA 0.155 4.495 4.340 -0.000 0.000 0.225 313 L C 2.208 179.072 176.870 -0.011 0.000 1.128 313 L CA 0.395 55.228 54.840 -0.012 0.000 0.868 313 L CB -0.806 41.245 42.059 -0.013 0.000 1.006 313 L HN -0.059 nan 8.230 nan 0.000 0.454 314 A N 0.848 123.662 122.820 -0.010 0.000 2.019 314 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 314 A C 2.216 179.795 177.584 -0.009 0.000 1.164 314 A CA 1.649 53.681 52.037 -0.010 0.000 0.644 314 A CB -0.750 18.244 19.000 -0.010 0.000 0.805 314 A HN 0.426 nan 8.150 nan 0.000 0.449 315 G N -1.025 107.770 108.800 -0.009 0.000 2.985 315 G HA2 0.312 4.272 3.960 -0.000 0.000 0.209 315 G HA3 0.312 4.272 3.960 -0.000 0.000 0.209 315 G C 0.583 175.478 174.900 -0.008 0.000 1.165 315 G CA -0.198 44.897 45.100 -0.008 0.000 0.776 315 G HN 0.400 nan 8.290 nan 0.000 0.541 316 L N 2.700 123.918 121.223 -0.009 0.000 2.648 316 L HA 0.154 4.494 4.340 -0.000 0.000 0.238 316 L C 1.821 178.685 176.870 -0.009 0.000 1.316 316 L CA -0.168 54.666 54.840 -0.010 0.000 1.241 316 L CB -0.068 41.985 42.059 -0.011 0.000 1.499 316 L HN 0.175 nan 8.230 nan 0.000 0.411 317 T N -3.935 110.614 114.554 -0.008 0.000 3.118 317 T HA 0.007 4.357 4.350 -0.000 0.000 0.260 317 T C 1.630 176.324 174.700 -0.009 0.000 1.139 317 T CA 0.616 62.712 62.100 -0.008 0.000 1.085 317 T CB 0.282 69.146 68.868 -0.007 0.000 0.934 317 T HN 0.454 nan 8.240 nan 0.000 0.518 318 A N 0.915 123.729 122.820 -0.011 0.000 2.238 318 A HA 0.444 4.764 4.320 -0.000 0.000 0.208 318 A C 0.959 178.533 177.584 -0.017 0.000 1.177 318 A CA -0.230 51.799 52.037 -0.013 0.000 0.804 318 A CB -0.557 18.434 19.000 -0.014 0.000 0.823 318 A HN 0.580 nan 8.150 nan 0.000 0.482 319 L N 0.835 122.050 121.223 -0.014 0.000 2.455 319 L HA 0.067 4.407 4.340 -0.000 0.000 0.272 319 L C 1.797 178.655 176.870 -0.019 0.000 1.174 319 L CA 0.400 55.230 54.840 -0.016 0.000 0.869 319 L CB 0.952 43.005 42.059 -0.010 0.000 1.130 319 L HN 0.503 nan 8.230 nan 0.000 0.474 320 T N -1.636 112.898 114.554 -0.035 0.000 2.990 320 T HA 0.083 4.433 4.350 -0.000 0.000 0.249 320 T C 0.534 175.198 174.700 -0.059 0.000 1.039 320 T CA -0.207 61.861 62.100 -0.054 0.000 1.036 320 T CB 0.119 68.932 68.868 -0.092 0.000 0.994 320 T HN 0.425 nan 8.240 nan 0.000 0.489 321 N N 0.571 119.247 118.700 -0.041 0.000 2.480 321 N HA 0.534 5.274 4.740 -0.000 0.000 0.289 321 N C -2.031 173.494 175.510 0.026 0.000 1.073 321 N CA -0.814 52.237 53.050 0.001 0.000 0.885 321 N CB 1.744 40.207 38.487 -0.041 0.000 1.421 321 N HN 0.265 nan 8.380 nan 0.000 0.503 322 L N 2.382 123.638 121.223 0.054 0.000 2.409 322 L HA 0.595 4.935 4.340 -0.000 0.000 0.272 322 L C -0.988 175.898 176.870 0.026 0.000 0.980 322 L CA -0.263 54.593 54.840 0.027 0.000 0.826 322 L CB 1.586 43.657 42.059 0.019 0.000 1.268 322 L HN 0.506 nan 8.230 nan 0.000 0.407 323 E N 6.113 126.307 120.200 -0.010 0.000 2.165 323 E HA 0.406 4.756 4.350 -0.000 0.000 0.266 323 E C -0.421 176.126 176.600 -0.088 0.000 0.889 323 E CA -0.287 56.082 56.400 -0.052 0.000 0.756 323 E CB 1.999 31.660 29.700 -0.064 0.000 1.131 323 E HN 0.662 nan 8.360 nan 0.000 0.411 324 L N 2.472 123.622 121.223 -0.122 0.000 3.333 324 L HA 0.105 4.445 4.340 -0.000 0.000 0.299 324 L C 0.417 177.168 176.870 -0.198 0.000 1.256 324 L CA -0.390 54.376 54.840 -0.124 0.000 1.037 324 L CB 0.083 42.097 42.059 -0.075 0.000 1.423 324 L HN 0.458 nan 8.230 nan 0.000 0.605 325 N N 1.102 119.579 118.700 -0.372 0.000 2.374 325 N HA -0.097 4.643 4.740 -0.000 0.000 0.241 325 N C -0.183 175.127 175.510 -0.333 0.000 1.262 325 N CA 0.168 52.849 53.050 -0.614 0.000 0.880 325 N CB 0.468 38.014 38.487 -1.569 0.000 1.105 325 N HN 0.153 nan 8.380 nan 0.000 0.438 326 E N -1.346 118.738 120.200 -0.192 0.000 2.287 326 E HA -0.183 4.166 4.350 -0.000 0.000 0.229 326 E C -0.773 175.790 176.600 -0.062 0.000 1.194 326 E CA 0.445 56.803 56.400 -0.071 0.000 0.704 326 E CB -1.007 28.621 29.700 -0.121 0.000 1.216 326 E HN 0.624 nan 8.360 nan 0.000 0.381 327 N N -0.287 118.394 118.700 -0.031 0.000 3.294 327 N HA 0.293 5.033 4.740 -0.000 0.000 0.355 327 N C -0.104 175.410 175.510 0.007 0.000 1.497 327 N CA -0.535 52.500 53.050 -0.025 0.000 0.707 327 N CB 0.727 39.188 38.487 -0.044 0.000 1.732 327 N HN 0.056 nan 8.380 nan 0.000 0.640 328 Q N 0.695 120.496 119.800 0.002 0.000 2.182 328 Q HA 0.415 4.755 4.340 -0.000 0.000 0.270 328 Q C -0.554 175.452 176.000 0.009 0.000 0.861 328 Q CA -0.131 55.679 55.803 0.013 0.000 1.098 328 Q CB 0.473 29.215 28.738 0.007 0.000 1.188 328 Q HN 0.291 nan 8.270 nan 0.000 0.464 329 L N 0.609 121.836 121.223 0.006 0.000 2.397 329 L HA 0.136 4.476 4.340 -0.000 0.000 0.271 329 L C 0.984 177.858 176.870 0.006 0.000 1.148 329 L CA 0.403 55.242 54.840 -0.000 0.000 0.825 329 L CB 0.812 42.864 42.059 -0.010 0.000 1.117 329 L HN 0.298 nan 8.230 nan 0.000 0.456 330 E N 0.391 120.591 120.200 0.001 0.000 3.249 330 E HA 0.028 4.378 4.350 -0.000 0.000 0.184 330 E C -0.584 176.011 176.600 -0.010 0.000 1.163 330 E CA -0.338 56.062 56.400 0.001 0.000 1.353 330 E CB 0.361 30.064 29.700 0.005 0.000 1.466 330 E HN 0.607 nan 8.360 nan 0.000 0.502 331 D N 1.445 121.839 120.400 -0.011 0.000 2.277 331 D HA 0.101 4.741 4.640 -0.000 0.000 0.249 331 D C 0.318 176.606 176.300 -0.021 0.000 1.134 331 D CA -0.175 53.815 54.000 -0.017 0.000 0.863 331 D CB 0.779 41.571 40.800 -0.014 0.000 1.143 331 D HN 0.239 nan 8.370 nan 0.000 0.458 332 I N 0.569 121.121 120.570 -0.029 0.000 3.927 332 I HA 0.232 4.402 4.170 -0.000 0.000 0.332 332 I C 1.129 177.227 176.117 -0.031 0.000 1.485 332 I CA -0.576 60.705 61.300 -0.031 0.000 1.131 332 I CB 0.383 38.358 38.000 -0.041 0.000 1.092 332 I HN 0.104 nan 8.210 nan 0.000 0.410 333 S N 2.790 118.473 115.700 -0.027 0.000 2.381 333 S HA -0.110 4.360 4.470 -0.000 0.000 0.230 333 S C -0.495 174.093 174.600 -0.021 0.000 1.052 333 S CA 2.155 60.340 58.200 -0.024 0.000 1.068 333 S CB -1.184 62.004 63.200 -0.020 0.000 0.918 333 S HN 0.458 nan 8.310 nan 0.000 0.448 334 P HA -0.030 nan 4.420 nan 0.000 0.222 334 P C 1.099 178.391 177.300 -0.015 0.000 1.142 334 P CA 0.783 63.874 63.100 -0.015 0.000 0.788 334 P CB -0.073 31.618 31.700 -0.014 0.000 0.767 335 I N -1.256 119.304 120.570 -0.017 0.000 2.493 335 I HA -0.190 3.980 4.170 -0.000 0.000 0.254 335 I C 1.928 178.038 176.117 -0.012 0.000 1.160 335 I CA 1.144 62.436 61.300 -0.014 0.000 1.445 335 I CB -0.292 37.698 38.000 -0.017 0.000 1.086 335 I HN -0.084 nan 8.210 nan 0.000 0.433 336 S N 0.827 116.518 115.700 -0.016 0.000 2.419 336 S HA -0.142 4.328 4.470 -0.000 0.000 0.235 336 S C 1.630 176.225 174.600 -0.010 0.000 1.019 336 S CA 1.029 59.220 58.200 -0.014 0.000 0.982 336 S CB -0.361 62.829 63.200 -0.017 0.000 0.789 336 S HN 0.511 nan 8.310 nan 0.000 0.490 337 N N 1.245 119.939 118.700 -0.009 0.000 2.459 337 N HA 0.030 4.770 4.740 -0.000 0.000 0.181 337 N C 0.226 175.733 175.510 -0.005 0.000 1.046 337 N CA 0.518 53.564 53.050 -0.007 0.000 0.904 337 N CB -0.146 38.336 38.487 -0.008 0.000 0.964 337 N HN 0.405 nan 8.380 nan 0.000 0.444 338 L N 2.581 123.802 121.223 -0.004 0.000 2.536 338 L HA 0.167 4.507 4.340 -0.000 0.000 0.242 338 L C 1.660 178.531 176.870 0.002 0.000 1.280 338 L CA -0.282 54.557 54.840 -0.002 0.000 1.221 338 L CB 0.073 42.132 42.059 -0.001 0.000 1.449 338 L HN 0.102 nan 8.230 nan 0.000 0.405 339 K N -0.907 119.493 120.400 0.000 0.000 2.362 339 K HA -0.090 4.230 4.320 -0.000 0.000 0.200 339 K C 0.828 177.431 176.600 0.005 0.000 1.046 339 K CA 0.910 57.198 56.287 0.002 0.000 0.952 339 K CB 0.129 32.629 32.500 0.000 0.000 0.753 339 K HN 0.409 nan 8.250 nan 0.000 0.466 340 N N 0.994 119.695 118.700 0.002 0.000 2.336 340 N HA 0.104 4.844 4.740 -0.000 0.000 0.189 340 N C 0.057 175.569 175.510 0.004 0.000 1.113 340 N CA 0.054 53.104 53.050 0.000 0.000 0.858 340 N CB 0.179 38.662 38.487 -0.007 0.000 0.970 340 N HN 0.191 nan 8.380 nan 0.000 0.471 341 L N 0.435 121.667 121.223 0.014 0.000 2.485 341 L HA -0.013 4.327 4.340 -0.000 0.000 0.275 341 L C 1.286 178.189 176.870 0.055 0.000 1.207 341 L CA 0.487 55.345 54.840 0.031 0.000 0.855 341 L CB 0.684 42.769 42.059 0.043 0.000 1.114 341 L HN 0.002 nan 8.230 nan 0.000 0.485 342 T N 0.544 115.144 114.554 0.076 0.000 3.010 342 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 342 T C -0.627 174.333 174.700 0.433 0.000 0.963 342 T CA 0.145 62.332 62.100 0.144 0.000 0.952 342 T CB 0.325 69.197 68.868 0.008 0.000 1.182 342 T HN 0.157 nan 8.240 nan 0.000 0.495 343 Y N 1.165 121.513 120.300 0.080 0.000 2.376 343 Y HA 0.791 5.341 4.550 -0.000 0.000 0.340 343 Y C -0.720 175.244 175.900 0.106 0.000 0.965 343 Y CA -2.730 55.441 58.100 0.119 0.000 1.078 343 Y CB 1.405 39.935 38.460 0.117 0.000 1.193 343 Y HN -0.009 nan 8.280 nan 0.000 0.452 344 L N 3.776 125.175 121.223 0.293 0.000 2.439 344 L HA 0.688 5.028 4.340 -0.000 0.000 0.270 344 L C -0.443 176.579 176.870 0.253 0.000 0.972 344 L CA -0.374 54.587 54.840 0.202 0.000 0.836 344 L CB 1.958 44.100 42.059 0.139 0.000 1.255 344 L HN 0.680 nan 8.230 nan 0.000 0.404 345 T N 2.441 117.088 114.554 0.154 0.000 2.823 345 T HA 0.675 5.025 4.350 -0.000 0.000 0.279 345 T C 0.227 174.914 174.700 -0.021 0.000 0.998 345 T CA -0.543 61.626 62.100 0.116 0.000 0.994 345 T CB 1.267 70.111 68.868 -0.040 0.000 0.960 345 T HN 0.591 nan 8.240 nan 0.000 0.448 346 L N 1.239 122.465 121.223 0.005 0.000 3.520 346 L HA 0.279 4.619 4.340 -0.000 0.000 0.323 346 L C -0.228 176.612 176.870 -0.051 0.000 1.246 346 L CA -1.021 53.801 54.840 -0.030 0.000 1.085 346 L CB 0.082 42.181 42.059 0.067 0.000 1.477 346 L HN 0.802 nan 8.230 nan 0.000 0.624 347 Y N -1.742 118.473 120.300 -0.142 0.000 2.550 347 Y HA 0.314 4.864 4.550 -0.000 0.000 0.343 347 Y C 0.271 176.140 175.900 -0.050 0.000 1.245 347 Y CA -1.110 56.796 58.100 -0.323 0.000 1.462 347 Y CB -0.235 37.548 38.460 -1.128 0.000 1.340 347 Y HN 0.043 nan 8.280 nan 0.000 0.604 348 F N 1.821 121.808 119.950 0.062 0.000 2.695 348 F HA -0.282 4.245 4.527 -0.000 0.000 0.305 348 F C -0.304 175.489 175.800 -0.012 0.000 1.044 348 F CA 0.689 58.718 58.000 0.049 0.000 1.049 348 F CB -1.139 37.908 39.000 0.080 0.000 1.267 348 F HN 0.797 nan 8.300 nan 0.000 0.828 349 N N -0.124 118.647 118.700 0.118 0.000 3.379 349 N HA 0.334 5.074 4.740 -0.000 0.000 0.350 349 N C -0.029 175.525 175.510 0.075 0.000 1.553 349 N CA -0.683 52.418 53.050 0.084 0.000 0.712 349 N CB 0.868 39.376 38.487 0.035 0.000 1.880 349 N HN 0.136 nan 8.380 nan 0.000 0.648 350 N N 0.330 119.063 118.700 0.054 0.000 2.401 350 N HA 0.377 5.117 4.740 -0.000 0.000 0.264 350 N C -1.082 174.451 175.510 0.037 0.000 1.238 350 N CA -0.113 52.967 53.050 0.049 0.000 0.889 350 N CB -0.148 38.365 38.487 0.043 0.000 1.196 350 N HN 0.396 nan 8.380 nan 0.000 0.511 351 I N 0.119 120.712 120.570 0.038 0.000 2.416 351 I HA 0.050 4.220 4.170 -0.000 0.000 0.288 351 I C 1.245 177.376 176.117 0.024 0.000 1.051 351 I CA -0.032 61.278 61.300 0.018 0.000 1.375 351 I CB 1.420 39.421 38.000 0.002 0.000 1.407 351 I HN 0.100 nan 8.210 nan 0.000 0.516 352 S N 3.011 118.716 115.700 0.008 0.000 2.475 352 S HA -0.005 4.465 4.470 -0.000 0.000 0.224 352 S C 0.495 175.082 174.600 -0.022 0.000 1.042 352 S CA 0.245 58.450 58.200 0.008 0.000 0.935 352 S CB 0.137 63.343 63.200 0.011 0.000 0.801 352 S HN 0.713 nan 8.310 nan 0.000 0.509 353 D N 1.284 121.659 120.400 -0.041 0.000 2.454 353 D HA 0.248 4.888 4.640 -0.000 0.000 0.225 353 D C 0.259 176.496 176.300 -0.105 0.000 1.081 353 D CA -0.344 53.618 54.000 -0.063 0.000 0.864 353 D CB 0.751 41.524 40.800 -0.046 0.000 1.040 353 D HN 0.130 nan 8.370 nan 0.000 0.517 354 I N 2.890 123.361 120.570 -0.165 0.000 3.428 354 I HA -0.095 4.075 4.170 -0.000 0.000 0.286 354 I C 2.001 178.000 176.117 -0.198 0.000 1.287 354 I CA 0.649 61.788 61.300 -0.269 0.000 1.396 354 I CB -0.187 37.492 38.000 -0.536 0.000 1.062 354 I HN 0.412 nan 8.210 nan 0.000 0.471 355 S N 0.800 116.422 115.700 -0.129 0.000 2.419 355 S HA -0.015 4.455 4.470 -0.000 0.000 0.235 355 S C -0.314 174.240 174.600 -0.076 0.000 1.019 355 S CA 0.713 58.856 58.200 -0.094 0.000 0.982 355 S CB -1.817 61.344 63.200 -0.066 0.000 0.789 355 S HN 0.289 nan 8.310 nan 0.000 0.490 356 P HA -0.072 nan 4.420 nan 0.000 0.218 356 P C 1.846 179.115 177.300 -0.051 0.000 1.146 356 P CA 1.317 64.385 63.100 -0.054 0.000 0.813 356 P CB -0.448 31.222 31.700 -0.050 0.000 0.778 357 V N -2.124 117.747 119.914 -0.072 0.000 2.867 357 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 357 V C 2.074 178.147 176.094 -0.036 0.000 1.099 357 V CA 2.081 64.349 62.300 -0.054 0.000 1.122 357 V CB -1.909 29.867 31.823 -0.078 0.000 0.708 357 V HN 0.206 nan 8.190 nan 0.000 0.490 358 S N 0.319 115.994 115.700 -0.041 0.000 2.507 358 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 358 S C 1.770 176.361 174.600 -0.016 0.000 0.988 358 S CA 1.345 59.529 58.200 -0.026 0.000 0.944 358 S CB -0.730 62.452 63.200 -0.030 0.000 0.762 358 S HN 0.636 nan 8.310 nan 0.000 0.526 359 S N 1.156 116.846 115.700 -0.016 0.000 2.561 359 S HA 0.295 4.765 4.470 -0.000 0.000 0.225 359 S C 0.435 175.034 174.600 -0.002 0.000 0.977 359 S CA 0.187 58.381 58.200 -0.010 0.000 0.926 359 S CB -0.350 62.843 63.200 -0.012 0.000 0.769 359 S HN 0.531 nan 8.310 nan 0.000 0.533 360 L N 2.581 123.806 121.223 0.002 0.000 2.417 360 L HA 0.244 4.584 4.340 -0.000 0.000 0.258 360 L C 1.669 178.550 176.870 0.020 0.000 1.088 360 L CA -0.418 54.430 54.840 0.013 0.000 0.975 360 L CB 0.230 42.301 42.059 0.020 0.000 1.341 360 L HN 0.192 nan 8.230 nan 0.000 0.431 361 T N -2.305 112.258 114.554 0.016 0.000 2.833 361 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 361 T C 1.420 176.136 174.700 0.028 0.000 1.054 361 T CA 0.978 63.089 62.100 0.018 0.000 1.135 361 T CB -0.079 68.796 68.868 0.013 0.000 0.869 361 T HN 0.436 nan 8.240 nan 0.000 0.466 362 K N 0.397 120.816 120.400 0.032 0.000 2.487 362 K HA 0.269 4.589 4.320 -0.000 0.000 0.192 362 K C 0.233 176.874 176.600 0.069 0.000 1.027 362 K CA -0.380 55.933 56.287 0.043 0.000 1.054 362 K CB -0.179 32.342 32.500 0.035 0.000 0.824 362 K HN 0.261 nan 8.250 nan 0.000 0.510 363 L N 1.937 123.202 121.223 0.069 0.000 2.559 363 L HA -0.099 4.241 4.340 -0.000 0.000 0.274 363 L C 0.881 177.817 176.870 0.111 0.000 1.205 363 L CA 1.019 55.918 54.840 0.097 0.000 0.907 363 L CB 0.510 42.613 42.059 0.075 0.000 1.153 363 L HN 0.135 nan 8.230 nan 0.000 0.490 364 Q N 4.151 124.053 119.800 0.171 0.000 2.378 364 Q HA 0.281 4.621 4.340 -0.000 0.000 0.229 364 Q C -0.327 175.743 176.000 0.116 0.000 0.882 364 Q CA 0.276 56.178 55.803 0.165 0.000 0.936 364 Q CB 0.728 29.620 28.738 0.257 0.000 1.092 364 Q HN 0.572 nan 8.270 nan 0.000 0.535 365 R N 0.636 121.193 120.500 0.095 0.000 2.522 365 R HA 0.499 4.839 4.340 -0.000 0.000 0.283 365 R C -1.875 174.375 176.300 -0.083 0.000 1.074 365 R CA -0.645 55.405 56.100 -0.083 0.000 0.925 365 R CB 2.006 32.169 30.300 -0.228 0.000 1.205 365 R HN -0.100 nan 8.270 nan 0.000 0.436 366 L N 3.949 124.988 121.223 -0.306 0.000 2.491 366 L HA 0.529 4.869 4.340 -0.000 0.000 0.267 366 L C -1.890 174.843 176.870 -0.228 0.000 0.971 366 L CA -0.376 54.423 54.840 -0.067 0.000 0.857 366 L CB 1.170 43.280 42.059 0.084 0.000 1.226 366 L HN 0.513 nan 8.230 nan 0.000 0.408 367 F N 6.278 126.305 119.950 0.128 0.000 2.444 367 F HA 0.586 5.113 4.527 -0.000 0.000 0.342 367 F C 0.156 176.076 175.800 0.201 0.000 1.121 367 F CA -0.494 57.574 58.000 0.112 0.000 0.997 367 F CB 1.333 40.377 39.000 0.072 0.000 1.130 367 F HN 0.487 nan 8.300 nan 0.000 0.454 368 F N 1.021 121.066 119.950 0.158 0.000 2.779 368 F HA 0.346 4.873 4.527 -0.000 0.000 0.345 368 F C -0.737 175.113 175.800 0.084 0.000 1.270 368 F CA -1.409 56.631 58.000 0.066 0.000 1.074 368 F CB -1.260 37.772 39.000 0.053 0.000 1.268 368 F HN 0.308 nan 8.300 nan 0.000 0.508 369 Y N -0.098 120.201 120.300 -0.001 0.000 2.652 369 Y HA 0.304 4.854 4.550 -0.000 0.000 0.344 369 Y C 0.686 176.580 175.900 -0.010 0.000 1.254 369 Y CA -0.582 57.497 58.100 -0.036 0.000 1.480 369 Y CB -0.255 38.185 38.460 -0.033 0.000 1.345 369 Y HN 0.399 nan 8.280 nan 0.000 0.617 370 N N 1.101 119.846 118.700 0.074 0.000 2.699 370 N HA -0.226 4.514 4.740 -0.000 0.000 0.257 370 N C -1.299 174.146 175.510 -0.109 0.000 1.077 370 N CA 0.900 53.822 53.050 -0.213 0.000 0.702 370 N CB -1.038 36.890 38.487 -0.931 0.000 0.886 370 N HN 0.763 nan 8.380 nan 0.000 0.549 371 N N -0.110 118.622 118.700 0.053 0.000 3.439 371 N HA 0.382 5.122 4.740 -0.000 0.000 0.343 371 N C -0.238 175.340 175.510 0.114 0.000 1.597 371 N CA -0.590 52.517 53.050 0.097 0.000 0.733 371 N CB 0.798 39.392 38.487 0.178 0.000 1.973 371 N HN 0.076 nan 8.380 nan 0.000 0.646 372 K N 0.723 121.190 120.400 0.112 0.000 2.758 372 K HA 0.343 4.663 4.320 -0.000 0.000 0.208 372 K C -0.745 175.914 176.600 0.098 0.000 1.091 372 K CA -0.101 56.247 56.287 0.101 0.000 1.059 372 K CB 0.866 33.409 32.500 0.072 0.000 0.801 372 K HN 0.137 nan 8.250 nan 0.000 0.470 373 V N 2.055 122.054 119.914 0.142 0.000 2.488 373 V HA -0.016 4.104 4.120 -0.000 0.000 0.277 373 V C 1.174 177.327 176.094 0.098 0.000 1.046 373 V CA 0.266 62.639 62.300 0.122 0.000 0.986 373 V CB 1.289 33.239 31.823 0.213 0.000 0.989 373 V HN 0.406 nan 8.190 nan 0.000 0.475 374 S N 1.752 117.464 115.700 0.020 0.000 2.506 374 S HA 0.159 4.629 4.470 -0.000 0.000 0.219 374 S C 0.304 174.856 174.600 -0.079 0.000 1.031 374 S CA -0.174 57.987 58.200 -0.064 0.000 0.911 374 S CB 0.324 63.461 63.200 -0.105 0.000 0.812 374 S HN 0.726 nan 8.310 nan 0.000 0.497 375 D N 1.648 122.027 120.400 -0.036 0.000 2.620 375 D HA 0.350 4.990 4.640 -0.000 0.000 0.252 375 D C 0.197 176.486 176.300 -0.018 0.000 1.207 375 D CA -0.631 53.344 54.000 -0.042 0.000 0.884 375 D CB 2.181 42.952 40.800 -0.050 0.000 1.262 375 D HN 0.065 nan 8.370 nan 0.000 0.552 376 V N 1.475 121.386 119.914 -0.006 0.000 3.271 376 V HA 0.213 4.333 4.120 -0.000 0.000 0.327 376 V C 1.494 177.582 176.094 -0.011 0.000 1.389 376 V CA 0.011 62.320 62.300 0.014 0.000 1.156 376 V CB 0.042 31.908 31.823 0.073 0.000 1.103 376 V HN 0.343 nan 8.190 nan 0.000 0.453 377 S N 2.613 118.298 115.700 -0.026 0.000 2.380 377 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 377 S C 2.139 176.724 174.600 -0.025 0.000 1.043 377 S CA 2.213 60.397 58.200 -0.026 0.000 1.038 377 S CB -0.439 62.744 63.200 -0.029 0.000 0.872 377 S HN 1.020 nan 8.310 nan 0.000 0.456 378 S N 1.265 116.945 115.700 -0.034 0.000 2.547 378 S HA 0.119 4.589 4.470 -0.000 0.000 0.235 378 S C 1.385 175.966 174.600 -0.031 0.000 0.980 378 S CA 0.455 58.632 58.200 -0.038 0.000 0.941 378 S CB -0.524 62.642 63.200 -0.056 0.000 0.763 378 S HN 0.478 nan 8.310 nan 0.000 0.532 379 L N 0.379 121.590 121.223 -0.020 0.000 2.567 379 L HA 0.330 4.670 4.340 -0.000 0.000 0.225 379 L C 2.715 179.586 176.870 0.001 0.000 1.119 379 L CA 0.494 55.333 54.840 -0.002 0.000 0.871 379 L CB -0.578 41.498 42.059 0.029 0.000 1.036 379 L HN 0.407 nan 8.230 nan 0.000 0.459 380 A N 0.435 123.252 122.820 -0.006 0.000 2.019 380 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 380 A C 1.690 179.272 177.584 -0.004 0.000 1.164 380 A CA 1.620 53.653 52.037 -0.007 0.000 0.644 380 A CB -0.374 18.619 19.000 -0.011 0.000 0.805 380 A HN 0.402 nan 8.150 nan 0.000 0.449 381 N N -0.424 118.274 118.700 -0.003 0.000 2.389 381 N HA 0.246 4.986 4.740 -0.000 0.000 0.260 381 N C -0.521 174.992 175.510 0.005 0.000 1.191 381 N CA -0.074 52.976 53.050 -0.000 0.000 0.885 381 N CB -0.159 38.327 38.487 -0.002 0.000 1.162 381 N HN 0.316 nan 8.380 nan 0.000 0.512 382 L N 0.763 121.991 121.223 0.008 0.000 2.536 382 L HA 0.173 4.513 4.340 -0.000 0.000 0.242 382 L C 1.660 178.542 176.870 0.019 0.000 1.280 382 L CA -0.121 54.729 54.840 0.016 0.000 1.221 382 L CB 0.091 42.162 42.059 0.020 0.000 1.449 382 L HN 0.141 nan 8.230 nan 0.000 0.405 383 T N -0.699 113.865 114.554 0.016 0.000 3.007 383 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 383 T C 1.452 176.165 174.700 0.021 0.000 1.107 383 T CA 1.230 63.338 62.100 0.015 0.000 1.118 383 T CB -0.087 68.787 68.868 0.010 0.000 0.889 383 T HN 0.450 nan 8.240 nan 0.000 0.506 384 N N 1.189 119.907 118.700 0.031 0.000 2.461 384 N HA 0.090 4.830 4.740 -0.000 0.000 0.188 384 N C 0.128 175.669 175.510 0.053 0.000 1.134 384 N CA 0.046 53.122 53.050 0.042 0.000 0.878 384 N CB -0.005 38.511 38.487 0.049 0.000 0.972 384 N HN 0.415 nan 8.380 nan 0.000 0.456 385 I N 1.939 122.535 120.570 0.043 0.000 2.662 385 I HA -0.071 4.099 4.170 -0.000 0.000 0.285 385 I C 1.017 177.159 176.117 0.041 0.000 1.161 385 I CA 0.594 61.922 61.300 0.046 0.000 1.415 385 I CB 0.003 38.024 38.000 0.035 0.000 1.385 385 I HN 0.077 nan 8.210 nan 0.000 0.552 386 N N 5.170 123.908 118.700 0.063 0.000 2.454 386 N HA 0.009 4.749 4.740 -0.000 0.000 0.177 386 N C -0.241 175.302 175.510 0.055 0.000 1.049 386 N CA 0.137 53.216 53.050 0.048 0.000 0.887 386 N CB 0.431 38.963 38.487 0.075 0.000 1.095 386 N HN 0.530 nan 8.380 nan 0.000 0.446 387 W N 1.911 123.124 121.300 -0.144 0.000 2.647 387 W HA 0.526 5.186 4.660 -0.000 0.000 0.328 387 W C -1.853 174.444 176.519 -0.370 0.000 1.018 387 W CA -1.230 55.967 57.345 -0.247 0.000 1.245 387 W CB 0.844 30.130 29.460 -0.290 0.000 1.356 387 W HN -0.238 nan 8.180 nan 0.000 0.443 388 L N 5.310 126.614 121.223 0.135 0.000 2.372 388 L HA 0.591 4.931 4.340 -0.000 0.000 0.274 388 L C -0.949 175.922 176.870 0.002 0.000 0.988 388 L CA 0.001 54.829 54.840 -0.019 0.000 0.833 388 L CB 1.994 44.059 42.059 0.009 0.000 1.236 388 L HN 0.231 nan 8.230 nan 0.000 0.410 389 S N 3.722 119.350 115.700 -0.120 0.000 2.756 389 S HA 0.833 5.303 4.470 -0.000 0.000 0.303 389 S C -0.003 174.536 174.600 -0.102 0.000 1.135 389 S CA 0.229 58.442 58.200 0.022 0.000 1.066 389 S CB 1.165 64.523 63.200 0.263 0.000 1.008 389 S HN 0.909 nan 8.310 nan 0.000 0.482 390 A N 3.532 126.227 122.820 -0.209 0.000 2.543 390 A HA 0.608 4.928 4.320 -0.000 0.000 0.279 390 A C 0.792 178.294 177.584 -0.137 0.000 0.917 390 A CA -0.028 51.703 52.037 -0.510 0.000 1.036 390 A CB -0.281 18.236 19.000 -0.806 0.000 1.227 390 A HN 0.921 nan 8.150 nan 0.000 0.503 391 G N -0.966 107.834 108.800 0.001 0.000 2.690 391 G HA2 0.332 4.292 3.960 -0.000 0.000 0.239 391 G HA3 0.332 4.292 3.960 -0.000 0.000 0.239 391 G C 0.428 175.411 174.900 0.139 0.000 1.233 391 G CA 0.318 45.447 45.100 0.049 0.000 0.847 391 G HN 0.623 nan 8.290 nan 0.000 0.588 392 H N -0.334 118.756 119.070 0.033 0.000 2.692 392 H HA -0.132 4.424 4.556 -0.000 0.000 0.316 392 H C 0.614 175.973 175.328 0.053 0.000 1.176 392 H CA 1.201 57.263 56.048 0.022 0.000 1.142 392 H CB -1.047 28.693 29.762 -0.036 0.000 1.475 392 H HN 0.542 nan 8.280 nan 0.000 0.423 393 N N 0.068 118.864 118.700 0.160 0.000 3.312 393 N HA 0.216 4.956 4.740 -0.000 0.000 0.361 393 N C 0.578 176.222 175.510 0.225 0.000 1.476 393 N CA -0.531 52.632 53.050 0.187 0.000 0.669 393 N CB 0.728 39.340 38.487 0.209 0.000 1.629 393 N HN 0.266 nan 8.380 nan 0.000 0.612 394 Q N 0.688 120.620 119.800 0.221 0.000 2.182 394 Q HA 0.436 4.776 4.340 -0.000 0.000 0.305 394 Q C -0.673 175.350 176.000 0.039 0.000 0.880 394 Q CA -0.113 55.844 55.803 0.257 0.000 1.131 394 Q CB 0.509 29.351 28.738 0.173 0.000 1.237 394 Q HN 0.404 nan 8.270 nan 0.000 0.447 395 I N 1.335 122.009 120.570 0.173 0.000 2.416 395 I HA 0.004 4.174 4.170 -0.000 0.000 0.288 395 I C 1.134 177.343 176.117 0.153 0.000 1.051 395 I CA 0.213 61.575 61.300 0.103 0.000 1.375 395 I CB 1.264 39.379 38.000 0.192 0.000 1.407 395 I HN 0.207 nan 8.210 nan 0.000 0.516 396 S N 2.157 117.750 115.700 -0.179 0.000 2.578 396 S HA 0.162 4.632 4.470 -0.000 0.000 0.228 396 S C 0.083 174.747 174.600 0.106 0.000 1.022 396 S CA -0.344 57.793 58.200 -0.106 0.000 0.967 396 S CB 0.267 63.068 63.200 -0.664 0.000 0.914 396 S HN 0.667 nan 8.310 nan 0.000 0.515 397 D N 0.790 121.193 120.400 0.006 0.000 2.479 397 D HA 0.340 4.980 4.640 -0.000 0.000 0.246 397 D C 0.291 176.517 176.300 -0.123 0.000 1.336 397 D CA -0.430 53.544 54.000 -0.044 0.000 0.967 397 D CB 1.027 41.795 40.800 -0.054 0.000 1.275 397 D HN 0.140 nan 8.370 nan 0.000 0.577 398 L N 2.455 123.559 121.223 -0.198 0.000 2.558 398 L HA 0.027 4.367 4.340 -0.000 0.000 0.225 398 L C 2.325 179.119 176.870 -0.126 0.000 1.128 398 L CA 0.720 55.414 54.840 -0.243 0.000 0.868 398 L CB -0.304 41.532 42.059 -0.373 0.000 1.006 398 L HN 0.475 nan 8.230 nan 0.000 0.454 399 T N -1.914 112.592 114.554 -0.079 0.000 2.778 399 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 399 T C -0.469 174.205 174.700 -0.043 0.000 1.050 399 T CA 0.810 62.881 62.100 -0.049 0.000 1.137 399 T CB -1.525 67.325 68.868 -0.030 0.000 0.860 399 T HN 0.172 nan 8.240 nan 0.000 0.468 400 P HA 0.150 nan 4.420 nan 0.000 0.228 400 P C 1.161 178.444 177.300 -0.029 0.000 1.151 400 P CA 0.614 63.696 63.100 -0.031 0.000 0.770 400 P CB -0.291 31.392 31.700 -0.028 0.000 0.786 401 L N -1.952 119.246 121.223 -0.041 0.000 2.591 401 L HA 0.164 4.504 4.340 -0.000 0.000 0.228 401 L C 2.169 179.019 176.870 -0.033 0.000 1.133 401 L CA 0.276 55.094 54.840 -0.036 0.000 0.880 401 L CB -0.751 41.275 42.059 -0.056 0.000 1.033 401 L HN -0.055 nan 8.230 nan 0.000 0.450 402 A N 0.634 123.435 122.820 -0.032 0.000 1.972 402 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 402 A C 1.794 179.367 177.584 -0.019 0.000 1.169 402 A CA 1.427 53.448 52.037 -0.026 0.000 0.635 402 A CB -0.306 18.680 19.000 -0.022 0.000 0.810 402 A HN 0.417 nan 8.150 nan 0.000 0.446 403 N N -0.079 118.612 118.700 -0.015 0.000 2.336 403 N HA 0.115 4.855 4.740 -0.000 0.000 0.189 403 N C 0.044 175.549 175.510 -0.008 0.000 1.113 403 N CA 0.214 53.258 53.050 -0.010 0.000 0.858 403 N CB 0.055 38.538 38.487 -0.007 0.000 0.970 403 N HN 0.443 nan 8.380 nan 0.000 0.471 404 L N 1.690 122.907 121.223 -0.010 0.000 2.533 404 L HA 0.114 4.454 4.340 -0.000 0.000 0.239 404 L C 1.287 178.151 176.870 -0.011 0.000 1.376 404 L CA -0.035 54.801 54.840 -0.007 0.000 1.240 404 L CB -0.722 41.334 42.059 -0.005 0.000 1.487 404 L HN 0.067 nan 8.230 nan 0.000 0.419 405 T N -4.186 110.362 114.554 -0.010 0.000 3.148 405 T HA 0.001 4.351 4.350 -0.000 0.000 0.253 405 T C 1.652 176.344 174.700 -0.013 0.000 1.134 405 T CA -0.027 62.066 62.100 -0.013 0.000 1.051 405 T CB -0.015 68.847 68.868 -0.011 0.000 0.959 405 T HN 0.191 nan 8.240 nan 0.000 0.525 406 R N 0.678 121.173 120.500 -0.008 0.000 2.310 406 R HA 0.438 4.778 4.340 -0.000 0.000 0.202 406 R C 0.560 176.850 176.300 -0.016 0.000 0.933 406 R CA -0.865 55.231 56.100 -0.006 0.000 1.054 406 R CB -0.913 29.392 30.300 0.008 0.000 0.985 406 R HN 0.503 nan 8.270 nan 0.000 0.489 407 I N 1.466 122.020 120.570 -0.025 0.000 2.683 407 I HA -0.127 4.043 4.170 -0.000 0.000 0.286 407 I C 1.350 177.418 176.117 -0.081 0.000 1.175 407 I CA 0.908 62.180 61.300 -0.046 0.000 1.429 407 I CB 0.929 38.902 38.000 -0.046 0.000 1.371 407 I HN 0.187 nan 8.210 nan 0.000 0.569 408 T N 1.695 116.171 114.554 -0.130 0.000 2.958 408 T HA 0.225 4.575 4.350 -0.000 0.000 0.256 408 T C 0.471 174.982 174.700 -0.315 0.000 0.983 408 T CA -0.257 61.734 62.100 -0.182 0.000 0.924 408 T CB 0.577 69.349 68.868 -0.159 0.000 1.136 408 T HN 0.464 nan 8.240 nan 0.000 0.506 409 Q N 0.680 120.206 119.800 -0.456 0.000 2.331 409 Q HA 0.720 5.060 4.340 -0.000 0.000 0.272 409 Q C -1.939 173.842 176.000 -0.365 0.000 1.062 409 Q CA -0.655 54.740 55.803 -0.680 0.000 0.806 409 Q CB 3.022 30.706 28.738 -1.757 0.000 1.312 409 Q HN 0.339 nan 8.270 nan 0.000 0.431 410 L N 0.274 121.391 121.223 -0.177 0.000 2.445 410 L HA 0.862 5.202 4.340 -0.000 0.000 0.262 410 L C -1.118 175.764 176.870 0.020 0.000 0.974 410 L CA -0.124 54.694 54.840 -0.037 0.000 0.822 410 L CB 2.489 44.515 42.059 -0.054 0.000 1.339 410 L HN 0.612 nan 8.230 nan 0.000 0.409 411 G N 4.150 112.976 108.800 0.044 0.000 2.739 411 G HA2 0.578 4.538 3.960 -0.000 0.000 0.291 411 G HA3 0.578 4.538 3.960 -0.000 0.000 0.291 411 G C -0.813 174.094 174.900 0.011 0.000 1.478 411 G CA -0.284 44.834 45.100 0.030 0.000 1.062 411 G HN 0.607 nan 8.290 nan 0.000 0.532 412 L N 2.204 123.454 121.223 0.045 0.000 3.429 412 L HA 0.215 4.555 4.340 -0.000 0.000 0.311 412 L C 0.463 177.435 176.870 0.170 0.000 1.274 412 L CA -0.649 54.261 54.840 0.116 0.000 1.037 412 L CB 0.241 42.389 42.059 0.147 0.000 1.433 412 L HN 0.608 nan 8.230 nan 0.000 0.614 413 N N -0.166 118.565 118.700 0.050 0.000 2.525 413 N HA 0.023 4.763 4.740 -0.000 0.000 0.271 413 N C -0.544 174.862 175.510 -0.173 0.000 1.194 413 N CA -0.008 53.019 53.050 -0.039 0.000 0.964 413 N CB 0.965 39.418 38.487 -0.056 0.000 1.126 413 N HN 0.017 nan 8.380 nan 0.000 0.452 414 D N -0.372 119.848 120.400 -0.299 0.000 2.739 414 D HA -0.120 4.520 4.640 -0.000 0.000 0.240 414 D C -0.434 175.574 176.300 -0.487 0.000 1.114 414 D CA 0.666 54.362 54.000 -0.507 0.000 0.695 414 D CB -0.732 39.621 40.800 -0.745 0.000 1.078 414 D HN 0.606 nan 8.370 nan 0.000 0.434 415 Q N -0.268 119.399 119.800 -0.222 0.000 2.443 415 Q HA 0.644 4.984 4.340 -0.000 0.000 0.232 415 Q C 0.403 176.391 176.000 -0.020 0.000 1.026 415 Q CA 0.074 55.899 55.803 0.036 0.000 0.924 415 Q CB 1.368 30.340 28.738 0.389 0.000 1.256 415 Q HN 0.449 nan 8.270 nan 0.000 0.519 416 A N 1.014 123.935 122.820 0.169 0.000 2.540 416 A HA 0.681 5.001 4.320 -0.000 0.000 0.297 416 A C -1.897 175.862 177.584 0.291 0.000 1.056 416 A CA -0.774 51.286 52.037 0.039 0.000 0.700 416 A CB 0.929 19.907 19.000 -0.036 0.000 1.280 416 A HN 0.751 nan 8.150 nan 0.000 0.398 417 W N 0.080 121.372 121.300 -0.013 0.000 3.025 417 W HA 0.778 5.438 4.660 -0.000 0.000 0.343 417 W C -1.198 175.308 176.519 -0.022 0.000 1.246 417 W CA -0.715 56.630 57.345 0.001 0.000 1.178 417 W CB 0.824 30.303 29.460 0.031 0.000 1.463 417 W HN 0.560 nan 8.180 nan 0.000 0.578 418 T N 2.329 117.025 114.554 0.236 0.000 2.792 418 T HA 0.324 4.674 4.350 -0.000 0.000 0.280 418 T C -0.345 174.485 174.700 0.217 0.000 0.990 418 T CA -0.644 61.517 62.100 0.102 0.000 0.960 418 T CB 0.594 69.498 68.868 0.060 0.000 0.939 418 T HN 0.457 nan 8.240 nan 0.000 0.439 419 N N 1.113 119.914 118.700 0.168 0.000 2.399 419 N HA 0.421 5.161 4.740 -0.000 0.000 0.250 419 N C 0.415 175.996 175.510 0.118 0.000 1.272 419 N CA -0.724 52.443 53.050 0.195 0.000 0.928 419 N CB 0.497 39.087 38.487 0.172 0.000 1.158 419 N HN 0.735 nan 8.380 nan 0.000 0.463 420 A N 1.955 124.841 122.820 0.109 0.000 2.540 420 A HA 0.147 4.467 4.320 -0.000 0.000 0.239 420 A C -2.081 175.538 177.584 0.059 0.000 1.061 420 A CA -0.758 51.323 52.037 0.073 0.000 0.758 420 A CB -0.271 18.769 19.000 0.066 0.000 0.991 420 A HN 0.418 nan 8.150 nan 0.000 0.502 421 P HA 0.238 nan 4.420 nan 0.000 0.269 421 P C -0.792 176.526 177.300 0.030 0.000 1.217 421 P CA 0.019 63.136 63.100 0.027 0.000 0.783 421 P CB 0.518 32.232 31.700 0.023 0.000 0.898 422 V N 2.288 122.214 119.914 0.019 0.000 2.567 422 V HA 0.205 4.325 4.120 -0.000 0.000 0.298 422 V C 0.383 176.492 176.094 0.025 0.000 1.047 422 V CA -0.949 61.365 62.300 0.024 0.000 0.880 422 V CB 1.260 33.099 31.823 0.025 0.000 1.009 422 V HN 0.675 nan 8.190 nan 0.000 0.429 423 N N 3.245 121.965 118.700 0.033 0.000 2.206 423 N HA -0.143 4.597 4.740 -0.000 0.000 0.226 423 N C -0.770 174.783 175.510 0.071 0.000 1.272 423 N CA 0.202 53.282 53.050 0.051 0.000 0.863 423 N CB 0.535 39.045 38.487 0.037 0.000 1.092 423 N HN 0.684 nan 8.380 nan 0.000 0.440 424 Y N 1.747 122.041 120.300 -0.011 0.000 2.404 424 Y HA 0.318 4.868 4.550 -0.000 0.000 0.344 424 Y C -0.199 175.704 175.900 0.005 0.000 0.995 424 Y CA -0.084 58.009 58.100 -0.013 0.000 1.201 424 Y CB 0.434 38.883 38.460 -0.017 0.000 1.151 424 Y HN 0.420 nan 8.280 nan 0.000 0.517 425 K N 3.378 123.388 120.400 -0.649 0.000 2.296 425 K HA 0.739 5.059 4.320 -0.000 0.000 0.243 425 K C 0.159 176.237 176.600 -0.871 0.000 1.082 425 K CA -0.574 55.310 56.287 -0.673 0.000 0.929 425 K CB 1.333 33.679 32.500 -0.258 0.000 1.353 425 K HN 0.548 nan 8.250 nan 0.000 0.536 426 A N 0.796 123.369 122.820 -0.411 0.000 2.267 426 A HA 0.035 4.355 4.320 -0.000 0.000 0.213 426 A C 0.044 177.600 177.584 -0.047 0.000 1.192 426 A CA 0.566 52.484 52.037 -0.198 0.000 0.851 426 A CB -0.501 18.442 19.000 -0.094 0.000 0.881 426 A HN 0.710 nan 8.150 nan 0.000 0.494 427 N N -0.815 117.862 118.700 -0.038 0.000 2.581 427 N HA 0.201 4.941 4.740 -0.000 0.000 0.274 427 N C -0.437 175.131 175.510 0.097 0.000 1.629 427 N CA 0.122 53.202 53.050 0.049 0.000 0.884 427 N CB -1.098 37.400 38.487 0.018 0.000 1.423 427 N HN 0.150 nan 8.380 nan 0.000 0.507 428 V N -1.780 118.225 119.914 0.153 0.000 3.239 428 V HA 0.364 4.484 4.120 -0.000 0.000 0.297 428 V C 0.640 176.920 176.094 0.311 0.000 1.206 428 V CA -0.036 62.396 62.300 0.220 0.000 1.325 428 V CB 0.641 32.601 31.823 0.228 0.000 0.981 428 V HN 0.565 nan 8.190 nan 0.000 0.513 429 S N 4.381 120.236 115.700 0.258 0.000 2.652 429 S HA 0.672 5.142 4.470 -0.000 0.000 0.273 429 S C -0.944 173.782 174.600 0.211 0.000 1.172 429 S CA -0.563 57.766 58.200 0.214 0.000 1.009 429 S CB 0.809 64.066 63.200 0.095 0.000 1.094 429 S HN 1.499 nan 8.310 nan 0.000 0.471 430 I N 1.290 122.022 120.570 0.271 0.000 2.785 430 I HA 0.782 4.952 4.170 -0.000 0.000 0.302 430 I C -2.997 173.221 176.117 0.169 0.000 1.069 430 I CA -3.116 58.321 61.300 0.229 0.000 1.045 430 I CB 2.325 40.506 38.000 0.302 0.000 1.236 430 I HN 0.281 nan 8.210 nan 0.000 0.429 431 P HA 0.096 nan 4.420 nan 0.000 0.276 431 P C -0.944 176.449 177.300 0.155 0.000 1.243 431 P CA -0.031 63.143 63.100 0.124 0.000 0.768 431 P CB 0.345 32.108 31.700 0.106 0.000 0.856 432 N N 2.426 121.204 118.700 0.131 0.000 2.475 432 N HA 0.043 4.783 4.740 -0.000 0.000 0.267 432 N C 0.344 175.943 175.510 0.148 0.000 1.169 432 N CA 0.082 53.195 53.050 0.106 0.000 0.947 432 N CB 0.482 39.015 38.487 0.077 0.000 1.061 432 N HN 0.349 nan 8.380 nan 0.000 0.466 433 T N -0.750 113.926 114.554 0.203 0.000 3.043 433 T HA 0.100 4.450 4.350 -0.000 0.000 0.272 433 T C 0.438 175.215 174.700 0.127 0.000 0.990 433 T CA -0.305 61.892 62.100 0.161 0.000 0.897 433 T CB 0.064 69.037 68.868 0.175 0.000 1.111 433 T HN 0.167 nan 8.240 nan 0.000 0.529 434 V N 2.502 122.485 119.914 0.115 0.000 2.450 434 V HA 0.277 4.397 4.120 -0.000 0.000 0.281 434 V C 0.003 176.099 176.094 0.003 0.000 1.019 434 V CA 0.088 62.371 62.300 -0.028 0.000 1.062 434 V CB -0.186 31.385 31.823 -0.420 0.000 0.979 434 V HN 0.370 nan 8.190 nan 0.000 0.477 435 K N 4.004 124.451 120.400 0.078 0.000 2.426 435 K HA 0.388 4.708 4.320 -0.000 0.000 0.254 435 K C -0.065 176.598 176.600 0.105 0.000 0.936 435 K CA -0.723 55.608 56.287 0.074 0.000 0.801 435 K CB 1.440 33.963 32.500 0.037 0.000 1.139 435 K HN 0.575 nan 8.250 nan 0.000 0.424 436 N N 0.815 119.575 118.700 0.100 0.000 2.288 436 N HA -0.022 4.718 4.740 -0.000 0.000 0.237 436 N C 0.996 176.503 175.510 -0.006 0.000 1.311 436 N CA -0.142 52.955 53.050 0.079 0.000 0.909 436 N CB 1.003 39.545 38.487 0.093 0.000 1.167 436 N HN 0.333 nan 8.380 nan 0.000 0.476 437 V N 0.635 120.529 119.914 -0.034 0.000 2.594 437 V HA -0.191 3.929 4.120 -0.000 0.000 0.253 437 V C 1.915 177.996 176.094 -0.022 0.000 1.069 437 V CA 2.691 64.961 62.300 -0.050 0.000 1.082 437 V CB -0.994 30.796 31.823 -0.055 0.000 0.680 437 V HN 0.930 nan 8.190 nan 0.000 0.469 438 T N -3.005 111.547 114.554 -0.003 0.000 3.085 438 T HA 0.230 4.580 4.350 -0.000 0.000 0.263 438 T C 1.629 176.332 174.700 0.005 0.000 1.127 438 T CA 1.009 63.110 62.100 0.003 0.000 1.103 438 T CB 0.266 69.141 68.868 0.012 0.000 0.921 438 T HN 1.222 nan 8.240 nan 0.000 0.510 439 G N 1.155 109.958 108.800 0.006 0.000 2.217 439 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.246 439 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.246 439 G C 0.346 175.260 174.900 0.023 0.000 0.990 439 G CA -0.116 44.990 45.100 0.010 0.000 0.627 439 G HN 1.177 nan 8.290 nan 0.000 0.522 440 A N 0.518 123.356 122.820 0.030 0.000 2.462 440 A HA 0.654 4.974 4.320 -0.000 0.000 0.243 440 A C 0.809 178.424 177.584 0.051 0.000 1.076 440 A CA -0.012 52.049 52.037 0.040 0.000 0.773 440 A CB 0.273 19.299 19.000 0.042 0.000 1.010 440 A HN 0.924 nan 8.150 nan 0.000 0.493 441 L N 1.980 123.239 121.223 0.061 0.000 2.453 441 L HA 0.128 4.468 4.340 -0.000 0.000 0.272 441 L C -0.094 176.810 176.870 0.057 0.000 1.182 441 L CA 0.236 55.116 54.840 0.068 0.000 0.858 441 L CB 0.355 42.483 42.059 0.115 0.000 1.120 441 L HN 0.539 nan 8.230 nan 0.000 0.474 442 I N 3.395 123.969 120.570 0.006 0.000 2.325 442 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 442 I C 0.656 176.695 176.117 -0.130 0.000 1.019 442 I CA -0.266 61.022 61.300 -0.021 0.000 1.302 442 I CB 1.403 39.388 38.000 -0.025 0.000 1.401 442 I HN 0.655 nan 8.210 nan 0.000 0.485 443 A N 8.753 131.495 122.820 -0.131 0.000 2.462 443 A HA 0.372 4.692 4.320 -0.000 0.000 0.243 443 A C -2.314 175.064 177.584 -0.344 0.000 1.076 443 A CA -1.026 50.762 52.037 -0.415 0.000 0.773 443 A CB -0.502 18.441 19.000 -0.095 0.000 1.010 443 A HN 0.420 nan 8.150 nan 0.000 0.493 444 P HA 0.099 nan 4.420 nan 0.000 0.265 444 P C 0.602 177.860 177.300 -0.070 0.000 1.187 444 P CA 0.852 63.848 63.100 -0.173 0.000 0.766 444 P CB 0.796 32.341 31.700 -0.259 0.000 0.820 445 A N 2.744 125.574 122.820 0.016 0.000 1.935 445 A HA 0.101 4.421 4.320 -0.000 0.000 0.214 445 A C 0.894 178.477 177.584 -0.001 0.000 1.178 445 A CA 1.723 53.760 52.037 0.000 0.000 0.640 445 A CB -0.654 18.340 19.000 -0.009 0.000 0.825 445 A HN 0.601 nan 8.150 nan 0.000 0.447 446 T N -2.774 111.792 114.554 0.020 0.000 2.903 446 T HA 0.715 5.065 4.350 -0.000 0.000 0.299 446 T C -0.860 173.888 174.700 0.080 0.000 1.093 446 T CA -0.627 61.492 62.100 0.031 0.000 1.002 446 T CB 1.506 70.387 68.868 0.023 0.000 1.127 446 T HN 0.164 nan 8.240 nan 0.000 0.488 447 I N 2.164 122.778 120.570 0.073 0.000 2.582 447 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 447 I C 0.606 176.844 176.117 0.202 0.000 1.066 447 I CA -1.064 60.320 61.300 0.140 0.000 1.053 447 I CB 2.498 40.462 38.000 -0.059 0.000 1.241 447 I HN 0.957 nan 8.210 nan 0.000 0.421 448 S N 2.022 117.967 115.700 0.409 0.000 2.593 448 S HA 0.213 4.683 4.470 -0.000 0.000 0.269 448 S C 0.290 175.151 174.600 0.435 0.000 1.334 448 S CA 0.079 58.496 58.200 0.361 0.000 1.015 448 S CB 0.878 64.255 63.200 0.295 0.000 0.912 448 S HN 0.865 nan 8.310 nan 0.000 0.541 449 D N 0.137 120.697 120.400 0.267 0.000 2.978 449 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 449 D C 0.691 177.103 176.300 0.187 0.000 1.093 449 D CA 1.838 55.989 54.000 0.253 0.000 1.006 449 D CB -1.560 39.467 40.800 0.378 0.000 1.116 449 D HN 1.576 nan 8.370 nan 0.000 0.419 450 G N -1.117 107.756 108.800 0.121 0.000 2.167 450 G HA2 0.067 4.027 3.960 -0.000 0.000 0.194 450 G HA3 0.067 4.027 3.960 -0.000 0.000 0.194 450 G C 0.538 175.403 174.900 -0.058 0.000 1.027 450 G CA 0.099 45.220 45.100 0.035 0.000 0.717 450 G HN 0.830 nan 8.290 nan 0.000 0.501 451 G N -0.378 108.329 108.800 -0.155 0.000 2.667 451 G HA2 0.624 4.584 3.960 -0.000 0.000 0.250 451 G HA3 0.624 4.584 3.960 -0.000 0.000 0.250 451 G C 0.215 174.902 174.900 -0.354 0.000 1.212 451 G CA 0.748 45.524 45.100 -0.540 0.000 0.874 451 G HN 1.311 nan 8.290 nan 0.000 0.561 452 S N -1.185 114.258 115.700 -0.429 0.000 2.546 452 S HA 0.502 4.972 4.470 -0.000 0.000 0.274 452 S C -1.711 172.786 174.600 -0.172 0.000 1.121 452 S CA -0.551 57.512 58.200 -0.230 0.000 0.887 452 S CB 1.935 65.025 63.200 -0.183 0.000 1.094 452 S HN 0.651 nan 8.310 nan 0.000 0.474 453 Y N 1.231 121.396 120.300 -0.225 0.000 2.361 453 Y HA 0.611 5.161 4.550 -0.000 0.000 0.337 453 Y C -0.987 174.830 175.900 -0.139 0.000 0.965 453 Y CA -0.357 57.621 58.100 -0.204 0.000 1.091 453 Y CB 1.885 40.229 38.460 -0.193 0.000 1.182 453 Y HN 0.678 nan 8.280 nan 0.000 0.450 454 T N 6.267 120.382 114.554 -0.732 0.000 2.985 454 T HA 0.137 4.487 4.350 -0.000 0.000 0.315 454 T C -0.947 173.222 174.700 -0.885 0.000 1.001 454 T CA -0.769 60.914 62.100 -0.696 0.000 1.016 454 T CB 0.687 69.358 68.868 -0.328 0.000 0.993 454 T HN 0.735 nan 8.240 nan 0.000 0.454 455 E N 5.087 124.655 120.200 -1.053 0.000 2.900 455 E HA -0.081 4.269 4.350 -0.000 0.000 0.259 455 E C -1.483 174.939 176.600 -0.297 0.000 0.918 455 E CA -0.663 55.378 56.400 -0.598 0.000 0.960 455 E CB 0.648 30.231 29.700 -0.195 0.000 0.908 455 E HN 0.233 nan 8.360 nan 0.000 0.511 456 P HA 0.186 nan 4.420 nan 0.000 0.274 456 P C -0.949 176.357 177.300 0.010 0.000 1.352 456 P CA -0.032 63.044 63.100 -0.041 0.000 0.947 456 P CB 0.492 32.205 31.700 0.021 0.000 1.437 457 D N 0.788 121.104 120.400 -0.139 0.000 2.163 457 D HA 0.374 5.014 4.640 -0.000 0.000 0.248 457 D C 0.335 176.611 176.300 -0.040 0.000 1.035 457 D CA -0.286 53.684 54.000 -0.049 0.000 0.872 457 D CB 2.154 42.915 40.800 -0.066 0.000 1.183 457 D HN 0.060 nan 8.370 nan 0.000 0.445 458 I N 0.745 121.313 120.570 -0.003 0.000 2.562 458 I HA 0.380 4.550 4.170 -0.000 0.000 0.301 458 I C 0.364 176.338 176.117 -0.237 0.000 1.003 458 I CA -0.479 60.723 61.300 -0.163 0.000 1.127 458 I CB 2.104 39.943 38.000 -0.268 0.000 1.304 458 I HN 0.326 nan 8.210 nan 0.000 0.446 459 T N -0.354 113.850 114.554 -0.583 0.000 2.868 459 T HA 0.530 4.880 4.350 -0.000 0.000 0.306 459 T C -1.465 172.898 174.700 -0.562 0.000 1.224 459 T CA -0.872 61.040 62.100 -0.313 0.000 1.012 459 T CB 1.670 70.460 68.868 -0.129 0.000 1.221 459 T HN 0.513 nan 8.240 nan 0.000 0.499 460 W N 0.709 122.024 121.300 0.025 0.000 2.936 460 W HA 0.456 5.116 4.660 -0.000 0.000 0.338 460 W C -0.696 175.835 176.519 0.021 0.000 1.121 460 W CA -0.805 56.559 57.345 0.033 0.000 1.209 460 W CB 2.273 31.765 29.460 0.054 0.000 1.420 460 W HN 0.579 nan 8.180 nan 0.000 0.516 461 N N 3.439 122.266 118.700 0.213 0.000 2.511 461 N HA 0.411 5.151 4.740 -0.000 0.000 0.249 461 N C -1.196 174.412 175.510 0.164 0.000 0.971 461 N CA -0.284 52.846 53.050 0.133 0.000 0.938 461 N CB 1.444 39.974 38.487 0.071 0.000 1.131 461 N HN 0.224 nan 8.380 nan 0.000 0.505 462 L N 2.577 123.895 121.223 0.158 0.000 2.345 462 L HA 0.477 4.817 4.340 -0.000 0.000 0.274 462 L C -2.117 174.860 176.870 0.177 0.000 0.999 462 L CA -1.706 53.256 54.840 0.205 0.000 0.849 462 L CB 2.149 44.419 42.059 0.351 0.000 1.220 462 L HN 0.163 nan 8.230 nan 0.000 0.422 463 P HA 0.151 nan 4.420 nan 0.000 0.227 463 P C 0.403 177.786 177.300 0.138 0.000 1.801 463 P CA 0.219 63.392 63.100 0.122 0.000 0.971 463 P CB 0.915 32.662 31.700 0.078 0.000 1.653 464 S N -1.752 114.078 115.700 0.216 0.000 7.248 464 S HA 0.058 4.528 4.470 -0.000 0.000 0.048 464 S C -0.961 173.618 174.600 -0.035 0.000 1.475 464 S CA 0.213 58.482 58.200 0.115 0.000 1.051 464 S CB -0.568 62.657 63.200 0.042 0.000 1.151 464 S HN 0.132 nan 8.310 nan 0.000 0.540 465 Y N 0.639 120.939 120.300 0.000 0.000 2.575 465 Y HA 0.396 4.946 4.550 0.000 0.000 0.397 465 Y C -1.471 174.429 175.900 0.000 0.000 1.467 465 Y CA 1.194 59.295 58.100 0.000 0.000 1.074 465 Y CB 0.108 38.568 38.460 0.000 0.000 4.074 465 Y HN 1.139 nan 8.280 nan 0.000 0.231 466 T N 1.140 115.397 114.554 -0.496 0.000 3.136 466 T HA 0.040 4.390 4.350 -0.000 0.000 0.373 466 T C -0.433 174.156 174.700 -0.185 0.000 1.730 466 T CA 0.174 62.138 62.100 -0.226 0.000 1.004 466 T CB -0.399 68.406 68.868 -0.105 0.000 1.864 466 T HN 0.901 nan 8.240 nan 0.000 0.509 467 N N 0.863 119.485 118.700 -0.130 0.000 2.084 467 N HA 0.046 4.786 4.740 -0.000 0.000 0.190 467 N C 0.388 175.845 175.510 -0.088 0.000 1.030 467 N CA 1.606 54.597 53.050 -0.098 0.000 0.849 467 N CB 0.193 38.634 38.487 -0.076 0.000 1.012 467 N HN 0.588 nan 8.380 nan 0.000 0.423 468 E N -1.078 119.058 120.200 -0.106 0.000 2.369 468 E HA 0.430 4.780 4.350 -0.000 0.000 0.270 468 E C -1.406 175.063 176.600 -0.219 0.000 0.909 468 E CA -0.920 55.394 56.400 -0.143 0.000 0.775 468 E CB 2.808 32.435 29.700 -0.121 0.000 1.270 468 E HN -0.034 nan 8.360 nan 0.000 0.445 469 V N -1.354 118.340 119.914 -0.366 0.000 3.074 469 V HA 0.970 5.090 4.120 -0.000 0.000 0.314 469 V C -0.638 175.212 176.094 -0.407 0.000 1.117 469 V CA -0.448 61.498 62.300 -0.591 0.000 1.014 469 V CB 1.695 32.577 31.823 -1.569 0.000 1.057 469 V HN 0.855 nan 8.190 nan 0.000 0.438 470 S N 1.387 117.002 115.700 -0.142 0.000 2.611 470 S HA 0.854 5.324 4.470 -0.000 0.000 0.268 470 S C -1.273 173.536 174.600 0.349 0.000 1.156 470 S CA -0.346 57.877 58.200 0.038 0.000 0.817 470 S CB 1.526 64.669 63.200 -0.095 0.000 1.122 470 S HN 2.398 nan 8.310 nan 0.000 0.466 471 Y N -1.503 118.853 120.300 0.094 0.000 2.625 471 Y HA 0.860 5.410 4.550 -0.000 0.000 0.338 471 Y C -0.518 175.360 175.900 -0.036 0.000 1.123 471 Y CA -0.533 57.615 58.100 0.080 0.000 1.046 471 Y CB 1.002 39.541 38.460 0.132 0.000 1.299 471 Y HN 1.090 nan 8.280 nan 0.000 0.464 472 T N -0.110 114.505 114.554 0.101 0.000 2.926 472 T HA 0.850 5.200 4.350 -0.000 0.000 0.289 472 T C -1.108 173.668 174.700 0.126 0.000 1.054 472 T CA -0.665 61.397 62.100 -0.064 0.000 1.015 472 T CB 1.923 70.703 68.868 -0.146 0.000 1.167 472 T HN 1.090 nan 8.240 nan 0.000 0.526 473 F N -1.715 118.154 119.950 -0.135 0.000 2.626 473 F HA 0.849 5.376 4.527 -0.000 0.000 0.311 473 F C -0.677 175.021 175.800 -0.170 0.000 1.088 473 F CA -1.106 56.815 58.000 -0.132 0.000 0.949 473 F CB 1.809 40.723 39.000 -0.143 0.000 1.322 473 F HN 0.739 nan 8.300 nan 0.000 0.461 474 S N 1.834 117.550 115.700 0.027 0.000 2.614 474 S HA 0.443 4.913 4.470 -0.000 0.000 0.259 474 S C -1.960 172.674 174.600 0.057 0.000 1.118 474 S CA -0.243 57.929 58.200 -0.047 0.000 1.065 474 S CB 0.988 64.136 63.200 -0.086 0.000 1.121 474 S HN 0.897 nan 8.310 nan 0.000 0.458 475 Q N 4.879 124.748 119.800 0.116 0.000 2.337 475 Q HA 0.534 4.874 4.340 -0.000 0.000 0.264 475 Q C -2.910 173.183 176.000 0.154 0.000 1.007 475 Q CA -1.826 54.066 55.803 0.150 0.000 0.727 475 Q CB 1.793 30.662 28.738 0.220 0.000 1.256 475 Q HN 0.325 nan 8.270 nan 0.000 0.467 476 P HA 0.054 nan 4.420 nan 0.000 0.265 476 P C -1.219 176.135 177.300 0.090 0.000 1.187 476 P CA -0.052 63.096 63.100 0.080 0.000 0.766 476 P CB 0.898 32.625 31.700 0.045 0.000 0.820 477 V N 2.925 122.885 119.914 0.077 0.000 3.048 477 V HA 0.491 4.611 4.120 -0.000 0.000 0.303 477 V C -1.182 174.926 176.094 0.022 0.000 1.214 477 V CA -0.235 62.099 62.300 0.056 0.000 0.984 477 V CB 2.701 34.570 31.823 0.077 0.000 1.054 477 V HN 0.452 nan 8.190 nan 0.000 0.430 478 T N 7.044 121.602 114.554 0.005 0.000 2.841 478 T HA 0.691 5.041 4.350 -0.000 0.000 0.283 478 T C -0.700 173.988 174.700 -0.021 0.000 1.000 478 T CA -0.173 61.919 62.100 -0.014 0.000 0.977 478 T CB 1.149 70.008 68.868 -0.016 0.000 0.979 478 T HN 0.545 nan 8.240 nan 0.000 0.446 479 I N 2.548 123.098 120.570 -0.033 0.000 2.418 479 I HA 0.532 4.702 4.170 -0.000 0.000 0.287 479 I C 1.166 177.261 176.117 -0.038 0.000 1.008 479 I CA -0.511 60.769 61.300 -0.034 0.000 1.104 479 I CB 1.408 39.385 38.000 -0.039 0.000 1.264 479 I HN 0.889 nan 8.210 nan 0.000 0.438 480 G N 6.114 114.895 108.800 -0.031 0.000 2.620 480 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.315 480 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.315 480 G C 0.734 175.610 174.900 -0.039 0.000 1.179 480 G CA 0.750 45.831 45.100 -0.032 0.000 0.971 480 G HN 0.640 nan 8.290 nan 0.000 0.544 481 K N 1.104 121.472 120.400 -0.053 0.000 2.367 481 K HA 0.364 4.684 4.320 -0.000 0.000 0.195 481 K C 1.365 177.917 176.600 -0.080 0.000 1.060 481 K CA 0.468 56.718 56.287 -0.061 0.000 1.022 481 K CB 0.776 33.237 32.500 -0.066 0.000 0.894 481 K HN 0.637 nan 8.250 nan 0.000 0.540 482 G N 1.123 109.867 108.800 -0.094 0.000 2.380 482 G HA2 0.220 4.180 3.960 -0.000 0.000 0.262 482 G HA3 0.220 4.180 3.960 -0.000 0.000 0.262 482 G C -0.508 174.344 174.900 -0.079 0.000 1.243 482 G CA 0.026 45.054 45.100 -0.119 0.000 0.865 482 G HN -0.072 nan 8.290 nan 0.000 0.513 483 T N 0.773 115.282 114.554 -0.075 0.000 2.863 483 T HA 0.738 5.088 4.350 -0.000 0.000 0.285 483 T C -0.036 174.647 174.700 -0.028 0.000 1.009 483 T CA -0.413 61.663 62.100 -0.041 0.000 0.989 483 T CB 2.127 70.974 68.868 -0.035 0.000 1.004 483 T HN 0.671 nan 8.240 nan 0.000 0.455 484 T N 0.423 114.977 114.554 0.001 0.000 2.665 484 T HA 0.566 4.916 4.350 -0.000 0.000 0.303 484 T C -1.420 173.310 174.700 0.049 0.000 1.334 484 T CA -0.438 61.674 62.100 0.020 0.000 1.011 484 T CB 1.604 70.488 68.868 0.027 0.000 1.573 484 T HN 0.523 nan 8.240 nan 0.000 0.492 485 T N 2.436 117.027 114.554 0.061 0.000 2.770 485 T HA 0.509 4.859 4.350 -0.000 0.000 0.283 485 T C -1.197 173.604 174.700 0.169 0.000 0.988 485 T CA -0.283 61.870 62.100 0.088 0.000 0.957 485 T CB 0.398 69.283 68.868 0.029 0.000 0.930 485 T HN 0.407 nan 8.240 nan 0.000 0.443 486 F N 5.333 125.322 119.950 0.064 0.000 2.423 486 F HA 0.489 5.016 4.527 -0.000 0.000 0.356 486 F C 0.335 176.232 175.800 0.163 0.000 1.170 486 F CA -1.300 56.783 58.000 0.139 0.000 1.163 486 F CB -0.515 38.603 39.000 0.196 0.000 1.318 486 F HN 0.488 nan 8.300 nan 0.000 0.569 487 S N 3.506 119.054 115.700 -0.254 0.000 2.566 487 S HA 1.031 5.501 4.470 -0.000 0.000 0.298 487 S C -0.309 173.599 174.600 -1.154 0.000 1.083 487 S CA -0.399 57.368 58.200 -0.722 0.000 0.978 487 S CB 1.851 64.813 63.200 -0.397 0.000 1.073 487 S HN 1.055 nan 8.310 nan 0.000 0.491 488 G N -0.032 107.708 108.800 -1.768 0.000 2.523 488 G HA2 0.560 4.520 3.960 -0.000 0.000 0.291 488 G HA3 0.560 4.520 3.960 -0.000 0.000 0.291 488 G C -1.659 172.659 174.900 -0.969 0.000 1.450 488 G CA -0.660 43.649 45.100 -1.318 0.000 0.790 488 G HN 0.788 nan 8.290 nan 0.000 0.496 489 T N 0.234 114.412 114.554 -0.628 0.000 2.879 489 T HA 0.589 4.939 4.350 -0.000 0.000 0.290 489 T C -0.627 173.628 174.700 -0.741 0.000 0.993 489 T CA -0.362 61.409 62.100 -0.548 0.000 0.975 489 T CB 1.702 70.355 68.868 -0.358 0.000 0.981 489 T HN 0.561 nan 8.240 nan 0.000 0.439 490 V N 3.498 122.857 119.914 -0.924 0.000 2.459 490 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 490 V C 0.233 175.930 176.094 -0.661 0.000 1.029 490 V CA -0.656 60.954 62.300 -1.150 0.000 0.874 490 V CB 1.929 32.803 31.823 -1.582 0.000 0.985 490 V HN 0.938 nan 8.190 nan 0.000 0.438 491 T N 4.137 118.418 114.554 -0.455 0.000 2.824 491 T HA 0.453 4.803 4.350 -0.000 0.000 0.280 491 T C -0.504 174.097 174.700 -0.164 0.000 0.995 491 T CA -0.341 61.609 62.100 -0.251 0.000 1.009 491 T CB 1.452 70.216 68.868 -0.174 0.000 0.955 491 T HN 0.645 nan 8.240 nan 0.000 0.452 492 Q N 3.981 123.687 119.800 -0.157 0.000 2.413 492 Q HA 0.380 4.720 4.340 -0.000 0.000 0.258 492 Q C -2.758 173.161 176.000 -0.135 0.000 1.037 492 Q CA -2.376 53.355 55.803 -0.120 0.000 0.764 492 Q CB 1.042 29.685 28.738 -0.158 0.000 1.217 492 Q HN 0.213 nan 8.270 nan 0.000 0.490 493 P HA 0.025 nan 4.420 nan 0.000 0.265 493 P C -0.982 176.288 177.300 -0.050 0.000 1.193 493 P CA 0.409 63.477 63.100 -0.055 0.000 0.765 493 P CB 0.512 32.201 31.700 -0.018 0.000 0.823 494 L N 3.630 124.828 121.223 -0.042 0.000 2.346 494 L HA 0.462 4.802 4.340 -0.000 0.000 0.276 494 L C 1.385 178.268 176.870 0.021 0.000 1.006 494 L CA -0.481 54.362 54.840 0.006 0.000 0.817 494 L CB 2.053 44.134 42.059 0.036 0.000 1.272 494 L HN 0.394 nan 8.230 nan 0.000 0.421 495 K N 1.147 121.578 120.400 0.052 0.000 2.425 495 K HA 0.717 5.037 4.320 -0.000 0.000 0.201 495 K C 0.169 176.801 176.600 0.053 0.000 1.128 495 K CA 0.082 56.391 56.287 0.037 0.000 1.000 495 K CB 1.310 33.828 32.500 0.030 0.000 0.961 495 K HN 0.581 nan 8.250 nan 0.000 0.555 496 A N 0.000 122.888 122.820 0.114 0.000 2.254 496 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 496 A CA 0.000 nan 52.037 nan 0.000 0.836 496 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 496 A HN 0.000 nan 8.150 nan 0.000 0.486