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 3dxj_1_F DATA FIRST_RESID 74 DATA SEQUENCE KISTSDPVRQ YLHEIGQVPL LTLEEEVELA RKVEEGMEAI KKLSEITGLD DATA SEQUENCE PDLIREVVRA KILGSARVRH IPGLKETLDP KTVEEIDQKL KSLPKEHKRY DATA SEQUENCE LHIAREGEAA RQHLIEANLR LVVSIAKKYT GRGLSFLDLI QEGNQGLIRA DATA SEQUENCE VEKFEYKRRF KFSTYATWWI RQAINRAIAD QARTIRIPVH MVETINKLSR DATA SEQUENCE TARQLQQELG REPTYEEIAE AMGPGWDAKR VEETLKIAQE PVSLETPIGD DATA SEQUENCE EKDSFYGDFI PDEHLPSPVD AATQSLLSEE LEKALSKLSE REAMVLKLRK DATA SEQUENCE GLIDGREHTL EEVGAFFGVT RERIRQIENK ALRKLKYHES RTRKLRDFL 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 74 K HA 0.000 nan 4.320 nan 0.000 0.191 74 K C 0.000 176.606 176.600 0.010 0.000 0.988 74 K CA 0.000 56.293 56.287 0.010 0.000 0.838 74 K CB 0.000 32.505 32.500 0.008 0.000 1.064 75 I N 2.521 123.096 120.570 0.009 0.000 2.040 75 I HA -0.222 3.948 4.170 0.000 0.000 0.224 75 I C 1.567 177.690 176.117 0.010 0.000 1.038 75 I CA 2.041 63.346 61.300 0.008 0.000 1.330 75 I CB -0.341 37.663 38.000 0.007 0.000 1.076 75 I HN 0.453 nan 8.210 nan 0.000 0.388 76 S N 0.135 115.841 115.700 0.010 0.000 3.033 76 S HA -0.029 4.441 4.470 0.000 0.000 0.258 76 S C 0.885 175.492 174.600 0.013 0.000 1.207 76 S CA -0.107 58.100 58.200 0.011 0.000 1.248 76 S CB -0.973 62.233 63.200 0.010 0.000 0.932 76 S HN 0.396 nan 8.310 nan 0.000 0.472 77 T N 2.180 116.743 114.554 0.015 0.000 4.678 77 T HA 0.012 4.362 4.350 0.000 0.000 0.230 77 T C 0.659 175.372 174.700 0.022 0.000 0.757 77 T CA 0.091 62.202 62.100 0.018 0.000 0.966 77 T CB -1.473 67.407 68.868 0.020 0.000 1.424 77 T HN 0.519 nan 8.240 nan 0.000 0.886 78 S N 3.155 118.866 115.700 0.019 0.000 3.902 78 S HA 0.025 4.495 4.470 0.000 0.000 0.176 78 S C 0.204 174.818 174.600 0.025 0.000 1.153 78 S CA -0.289 57.924 58.200 0.021 0.000 0.954 78 S CB -0.861 62.349 63.200 0.017 0.000 1.530 78 S HN 0.869 nan 8.310 nan 0.000 0.445 79 D N 0.427 120.847 120.400 0.033 0.000 2.849 79 D HA 0.320 4.960 4.640 0.000 0.000 0.314 79 D C -2.036 174.302 176.300 0.063 0.000 1.210 79 D CA -1.396 52.628 54.000 0.040 0.000 0.756 79 D CB 0.912 41.731 40.800 0.032 0.000 1.222 79 D HN 0.079 nan 8.370 nan 0.000 0.521 80 P HA -0.324 nan 4.420 nan 0.000 0.219 80 P C 2.072 179.455 177.300 0.138 0.000 1.158 80 P CA 2.201 65.355 63.100 0.090 0.000 0.895 80 P CB 0.050 31.789 31.700 0.064 0.000 0.792 81 V N -0.869 119.122 119.914 0.128 0.000 2.232 81 V HA -0.427 3.693 4.120 0.000 0.000 0.254 81 V C 2.154 178.356 176.094 0.180 0.000 1.058 81 V CA 2.616 65.014 62.300 0.164 0.000 1.048 81 V CB -1.778 30.095 31.823 0.082 0.000 0.668 81 V HN 0.036 nan 8.190 nan 0.000 0.462 82 R N 0.491 121.062 120.500 0.119 0.000 2.096 82 R HA -0.203 4.137 4.340 0.000 0.000 0.240 82 R C 2.592 178.987 176.300 0.158 0.000 1.139 82 R CA 2.408 58.574 56.100 0.110 0.000 0.952 82 R CB -0.625 29.718 30.300 0.072 0.000 0.854 82 R HN 0.802 nan 8.270 nan 0.000 0.436 83 Q N -0.095 119.809 119.800 0.173 0.000 1.927 83 Q HA -0.276 4.064 4.340 0.000 0.000 0.210 83 Q C 2.060 178.306 176.000 0.411 0.000 1.001 83 Q CA 2.038 57.974 55.803 0.223 0.000 0.862 83 Q CB -0.695 28.146 28.738 0.172 0.000 0.934 83 Q HN 0.348 nan 8.270 nan 0.000 0.420 84 Y N 1.439 121.872 120.300 0.223 0.000 2.219 84 Y HA -0.227 4.323 4.550 0.000 0.000 0.283 84 Y C 1.820 177.731 175.900 0.017 0.000 1.191 84 Y CA 1.295 59.502 58.100 0.179 0.000 1.199 84 Y CB -0.270 38.253 38.460 0.105 0.000 0.972 84 Y HN 0.103 nan 8.280 nan 0.000 0.527 85 L N 0.891 122.203 121.223 0.149 0.000 2.642 85 L HA -0.187 4.153 4.340 0.000 0.000 0.236 85 L C 1.794 178.613 176.870 -0.085 0.000 1.169 85 L CA 0.783 55.627 54.840 0.007 0.000 0.851 85 L CB -0.765 41.347 42.059 0.089 0.000 0.968 85 L HN 0.512 nan 8.230 nan 0.000 0.453 86 H N -1.301 117.748 119.070 -0.035 0.000 2.562 86 H HA -0.002 4.554 4.556 0.000 0.000 0.274 86 H C 0.856 176.140 175.328 -0.074 0.000 1.038 86 H CA 0.061 56.087 56.048 -0.037 0.000 1.161 86 H CB -0.185 29.562 29.762 -0.025 0.000 1.318 86 H HN 0.352 nan 8.280 nan 0.000 0.617 87 E N 1.061 120.914 120.200 -0.579 0.000 2.510 87 E HA -0.088 4.262 4.350 0.000 0.000 0.202 87 E C 1.777 178.262 176.600 -0.192 0.000 1.072 87 E CA 0.132 56.258 56.400 -0.456 0.000 0.883 87 E CB -0.067 29.393 29.700 -0.399 0.000 0.818 87 E HN 0.654 nan 8.360 nan 0.000 0.548 88 I N -0.306 120.196 120.570 -0.113 0.000 3.030 88 I HA -0.001 4.169 4.170 0.000 0.000 0.270 88 I C 1.840 177.950 176.117 -0.012 0.000 1.211 88 I CA 0.560 61.837 61.300 -0.040 0.000 1.479 88 I CB 0.166 38.160 38.000 -0.011 0.000 1.105 88 I HN 0.015 nan 8.210 nan 0.000 0.447 89 G N 0.544 109.350 108.800 0.010 0.000 2.650 89 G HA2 -0.053 3.907 3.960 0.000 0.000 0.214 89 G HA3 -0.053 3.907 3.960 0.000 0.000 0.214 89 G C 0.743 175.660 174.900 0.027 0.000 1.136 89 G CA -0.169 44.962 45.100 0.051 0.000 0.789 89 G HN 0.291 nan 8.290 nan 0.000 0.536 90 Q N 0.179 119.968 119.800 -0.019 0.000 2.373 90 Q HA 0.230 4.570 4.340 0.000 0.000 0.255 90 Q C -0.460 175.532 176.000 -0.012 0.000 0.980 90 Q CA -0.031 55.757 55.803 -0.026 0.000 0.882 90 Q CB 2.171 30.862 28.738 -0.077 0.000 1.249 90 Q HN 0.011 nan 8.270 nan 0.000 0.438 91 V N 5.265 125.177 119.914 -0.003 0.000 2.270 91 V HA 0.121 4.241 4.120 0.000 0.000 0.263 91 V C -1.754 174.338 176.094 -0.003 0.000 1.066 91 V CA -1.091 61.206 62.300 -0.004 0.000 0.857 91 V CB 0.681 32.501 31.823 -0.007 0.000 1.099 91 V HN 0.623 nan 8.190 nan 0.000 0.476 92 P HA 0.041 nan 4.420 nan 0.000 0.256 92 P C 1.094 178.399 177.300 0.009 0.000 1.335 92 P CA -0.116 62.988 63.100 0.006 0.000 0.808 92 P CB 0.115 31.820 31.700 0.007 0.000 1.305 93 L N -0.196 121.028 121.223 0.001 0.000 2.885 93 L HA -0.030 4.310 4.340 0.000 0.000 0.258 93 L C 0.448 177.317 176.870 -0.003 0.000 1.146 93 L CA 0.639 55.479 54.840 -0.001 0.000 0.922 93 L CB -1.283 40.771 42.059 -0.009 0.000 1.138 93 L HN 0.009 nan 8.230 nan 0.000 0.431 94 L N 1.025 122.251 121.223 0.005 0.000 2.449 94 L HA 0.009 4.349 4.340 0.000 0.000 0.266 94 L C 0.778 177.655 176.870 0.011 0.000 1.321 94 L CA -0.090 54.751 54.840 0.003 0.000 1.194 94 L CB -1.593 40.475 42.059 0.014 0.000 1.384 94 L HN 0.217 nan 8.230 nan 0.000 0.438 95 T N 1.264 115.820 114.554 0.004 0.000 2.855 95 T HA -0.023 4.327 4.350 0.000 0.000 0.314 95 T C 1.273 175.981 174.700 0.014 0.000 1.077 95 T CA -0.531 61.576 62.100 0.011 0.000 1.095 95 T CB 1.440 70.311 68.868 0.003 0.000 0.987 95 T HN 0.376 nan 8.240 nan 0.000 0.546 96 L N 2.224 123.463 121.223 0.026 0.000 1.951 96 L HA -0.197 4.143 4.340 0.000 0.000 0.222 96 L C 2.443 179.320 176.870 0.013 0.000 1.078 96 L CA 1.997 56.856 54.840 0.033 0.000 0.778 96 L CB -0.997 41.087 42.059 0.042 0.000 0.893 96 L HN 0.817 nan 8.230 nan 0.000 0.436 97 E N -0.780 119.424 120.200 0.006 0.000 2.164 97 E HA -0.331 4.019 4.350 0.000 0.000 0.206 97 E C 1.988 178.572 176.600 -0.026 0.000 1.032 97 E CA 2.012 58.407 56.400 -0.008 0.000 0.832 97 E CB -0.335 29.360 29.700 -0.008 0.000 0.742 97 E HN 0.689 nan 8.360 nan 0.000 0.460 98 E N 0.692 120.875 120.200 -0.028 0.000 2.016 98 E HA -0.141 4.209 4.350 0.000 0.000 0.190 98 E C 2.117 178.680 176.600 -0.061 0.000 0.985 98 E CA 0.697 57.070 56.400 -0.046 0.000 0.802 98 E CB -0.024 29.651 29.700 -0.043 0.000 0.762 98 E HN 0.260 nan 8.360 nan 0.000 0.448 99 E N 0.643 120.814 120.200 -0.048 0.000 2.045 99 E HA -0.274 4.076 4.350 0.000 0.000 0.212 99 E C 2.200 178.739 176.600 -0.102 0.000 1.039 99 E CA 1.892 58.246 56.400 -0.076 0.000 0.860 99 E CB -0.441 29.239 29.700 -0.032 0.000 0.776 99 E HN 0.020 nan 8.360 nan 0.000 0.467 100 V N 1.599 121.477 119.914 -0.060 0.000 2.250 100 V HA -0.427 3.693 4.120 0.000 0.000 0.250 100 V C 2.458 178.448 176.094 -0.173 0.000 1.039 100 V CA 2.573 64.828 62.300 -0.075 0.000 1.042 100 V CB -0.994 30.812 31.823 -0.029 0.000 0.673 100 V HN 0.496 nan 8.190 nan 0.000 0.477 101 E N -0.371 119.750 120.200 -0.131 0.000 2.164 101 E HA -0.377 3.973 4.350 0.000 0.000 0.233 101 E C 2.146 178.638 176.600 -0.179 0.000 1.073 101 E CA 2.733 59.048 56.400 -0.142 0.000 0.941 101 E CB -0.426 29.218 29.700 -0.092 0.000 0.820 101 E HN 0.346 nan 8.360 nan 0.000 0.486 102 L N 1.034 122.171 121.223 -0.144 0.000 1.997 102 L HA -0.266 4.074 4.340 0.000 0.000 0.216 102 L C 2.583 179.335 176.870 -0.196 0.000 1.074 102 L CA 2.728 57.487 54.840 -0.135 0.000 0.763 102 L CB -1.252 40.741 42.059 -0.111 0.000 0.890 102 L HN 0.401 nan 8.230 nan 0.000 0.434 103 A N 0.243 122.910 122.820 -0.255 0.000 1.870 103 A HA -0.381 3.939 4.320 0.000 0.000 0.219 103 A C 2.283 179.590 177.584 -0.462 0.000 1.286 103 A CA 3.213 55.071 52.037 -0.299 0.000 0.682 103 A CB -1.026 17.825 19.000 -0.248 0.000 0.844 103 A HN 0.652 nan 8.150 nan 0.000 0.460 104 R N -0.242 119.708 120.500 -0.916 0.000 2.113 104 R HA -0.215 4.125 4.340 0.000 0.000 0.244 104 R C 1.892 178.026 176.300 -0.277 0.000 1.142 104 R CA 1.980 57.589 56.100 -0.819 0.000 0.953 104 R CB -0.700 29.190 30.300 -0.682 0.000 0.860 104 R HN 0.539 nan 8.270 nan 0.000 0.438 105 K N 0.604 120.875 120.400 -0.215 0.000 2.286 105 K HA -0.109 4.211 4.320 0.000 0.000 0.203 105 K C 1.936 178.500 176.600 -0.060 0.000 1.045 105 K CA 1.526 57.752 56.287 -0.101 0.000 0.935 105 K CB -0.022 32.428 32.500 -0.082 0.000 0.737 105 K HN 0.157 nan 8.250 nan 0.000 0.460 106 V N 0.957 120.825 119.914 -0.077 0.000 2.341 106 V HA -0.129 3.991 4.120 0.000 0.000 0.240 106 V C 2.031 178.127 176.094 0.002 0.000 1.035 106 V CA 1.116 63.397 62.300 -0.032 0.000 1.033 106 V CB -0.347 31.455 31.823 -0.035 0.000 0.678 106 V HN 0.237 nan 8.190 nan 0.000 0.464 107 E N 0.583 120.796 120.200 0.020 0.000 2.048 107 E HA -0.328 4.022 4.350 0.000 0.000 0.202 107 E C 2.167 178.798 176.600 0.052 0.000 1.021 107 E CA 2.151 58.590 56.400 0.065 0.000 0.825 107 E CB -0.253 29.538 29.700 0.151 0.000 0.756 107 E HN 0.677 nan 8.360 nan 0.000 0.454 108 E N -0.123 120.106 120.200 0.049 0.000 2.086 108 E HA -0.232 4.118 4.350 0.000 0.000 0.200 108 E C 2.198 178.832 176.600 0.056 0.000 1.012 108 E CA 1.121 57.556 56.400 0.058 0.000 0.812 108 E CB -0.448 29.280 29.700 0.047 0.000 0.743 108 E HN 0.394 nan 8.360 nan 0.000 0.453 109 G N 1.452 110.274 108.800 0.037 0.000 2.505 109 G HA2 -0.346 3.614 3.960 0.000 0.000 0.220 109 G HA3 -0.346 3.614 3.960 0.000 0.000 0.220 109 G C 1.482 176.399 174.900 0.028 0.000 1.145 109 G CA 1.206 46.327 45.100 0.035 0.000 0.761 109 G HN 0.178 nan 8.290 nan 0.000 0.571 110 M N 0.133 119.746 119.600 0.022 0.000 2.098 110 M HA 0.040 4.520 4.480 0.000 0.000 0.262 110 M C 2.425 178.727 176.300 0.002 0.000 1.072 110 M CA 1.904 57.211 55.300 0.012 0.000 1.133 110 M CB -0.374 32.236 32.600 0.017 0.000 1.344 110 M HN 0.281 nan 8.290 nan 0.000 0.414 111 E N 0.735 120.941 120.200 0.011 0.000 2.108 111 E HA -0.252 4.098 4.350 0.000 0.000 0.203 111 E C 1.973 178.546 176.600 -0.046 0.000 1.022 111 E CA 2.135 58.531 56.400 -0.006 0.000 0.823 111 E CB -0.334 29.378 29.700 0.021 0.000 0.744 111 E HN 0.680 nan 8.360 nan 0.000 0.456 112 A N 1.107 123.922 122.820 -0.008 0.000 1.842 112 A HA -0.268 4.052 4.320 0.000 0.000 0.217 112 A C 2.200 179.731 177.584 -0.088 0.000 1.206 112 A CA 1.989 54.006 52.037 -0.034 0.000 0.630 112 A CB -1.056 18.010 19.000 0.111 0.000 0.839 112 A HN 0.267 nan 8.150 nan 0.000 0.447 113 I N -0.180 120.370 120.570 -0.033 0.000 2.161 113 I HA -0.452 3.718 4.170 0.000 0.000 0.246 113 I C 2.504 178.581 176.117 -0.067 0.000 1.048 113 I CA 2.320 63.596 61.300 -0.039 0.000 1.314 113 I CB -0.552 37.435 38.000 -0.021 0.000 1.014 113 I HN 0.411 nan 8.210 nan 0.000 0.418 114 K N 0.517 120.873 120.400 -0.072 0.000 1.991 114 K HA -0.209 4.111 4.320 0.000 0.000 0.212 114 K C 2.197 178.723 176.600 -0.123 0.000 1.049 114 K CA 1.274 57.513 56.287 -0.080 0.000 0.932 114 K CB -0.299 32.160 32.500 -0.068 0.000 0.717 114 K HN 0.184 nan 8.250 nan 0.000 0.441 115 K N 1.321 121.601 120.400 -0.201 0.000 2.001 115 K HA -0.196 4.124 4.320 0.000 0.000 0.223 115 K C 2.266 178.740 176.600 -0.211 0.000 1.055 115 K CA 1.568 57.684 56.287 -0.286 0.000 0.965 115 K CB -0.959 31.159 32.500 -0.637 0.000 0.730 115 K HN 0.134 nan 8.250 nan 0.000 0.449 116 L N 0.920 122.029 121.223 -0.191 0.000 2.021 116 L HA -0.384 3.956 4.340 0.000 0.000 0.241 116 L C 2.651 179.464 176.870 -0.095 0.000 1.101 116 L CA 2.405 57.179 54.840 -0.111 0.000 0.830 116 L CB -1.664 40.357 42.059 -0.064 0.000 0.924 116 L HN 0.346 nan 8.230 nan 0.000 0.444 117 S N -0.305 115.351 115.700 -0.073 0.000 2.425 117 S HA -0.410 4.060 4.470 0.000 0.000 0.256 117 S C 1.818 176.379 174.600 -0.065 0.000 1.101 117 S CA 2.242 60.407 58.200 -0.058 0.000 1.188 117 S CB -1.055 62.116 63.200 -0.047 0.000 1.085 117 S HN 0.693 nan 8.310 nan 0.000 0.439 118 E N 2.109 122.263 120.200 -0.076 0.000 2.023 118 E HA -0.189 4.161 4.350 0.000 0.000 0.196 118 E C 1.918 178.464 176.600 -0.090 0.000 1.003 118 E CA 1.703 58.059 56.400 -0.075 0.000 0.809 118 E CB -0.482 29.171 29.700 -0.079 0.000 0.755 118 E HN 0.778 nan 8.360 nan 0.000 0.449 119 I N 1.520 122.015 120.570 -0.125 0.000 3.434 119 I HA -0.104 4.067 4.170 0.000 0.000 0.308 119 I C 0.784 176.813 176.117 -0.146 0.000 1.269 119 I CA 0.808 62.006 61.300 -0.170 0.000 1.265 119 I CB -0.317 37.525 38.000 -0.264 0.000 1.005 119 I HN 0.149 nan 8.210 nan 0.000 0.554 120 T N -1.713 112.783 114.554 -0.097 0.000 3.123 120 T HA 0.197 4.547 4.350 0.000 0.000 0.266 120 T C 1.341 176.010 174.700 -0.051 0.000 0.873 120 T CA 0.237 62.294 62.100 -0.072 0.000 0.854 120 T CB 1.027 69.858 68.868 -0.062 0.000 1.254 120 T HN 0.353 nan 8.240 nan 0.000 0.570 121 G N 2.208 110.978 108.800 -0.049 0.000 2.153 121 G HA2 -0.226 3.734 3.960 0.000 0.000 0.252 121 G HA3 -0.226 3.734 3.960 0.000 0.000 0.252 121 G C -0.050 174.831 174.900 -0.030 0.000 0.994 121 G CA 0.360 45.438 45.100 -0.036 0.000 0.698 121 G HN 0.543 nan 8.290 nan 0.000 0.521 122 L N 0.037 121.240 121.223 -0.033 0.000 2.334 122 L HA 0.488 4.828 4.340 0.000 0.000 0.270 122 L C -0.092 176.762 176.870 -0.026 0.000 1.018 122 L CA -1.322 53.502 54.840 -0.027 0.000 0.811 122 L CB 0.934 42.978 42.059 -0.026 0.000 1.271 122 L HN -0.045 nan 8.230 nan 0.000 0.443 123 D N 1.809 122.197 120.400 -0.020 0.000 2.425 123 D HA 0.071 4.711 4.640 0.000 0.000 0.247 123 D C -1.714 174.575 176.300 -0.019 0.000 1.147 123 D CA -1.074 52.916 54.000 -0.018 0.000 0.879 123 D CB 1.457 42.249 40.800 -0.013 0.000 1.179 123 D HN 0.240 nan 8.370 nan 0.000 0.456 124 P HA -0.178 nan 4.420 nan 0.000 0.213 124 P C 1.260 178.551 177.300 -0.014 0.000 1.170 124 P CA 1.150 64.238 63.100 -0.020 0.000 0.898 124 P CB 0.161 31.849 31.700 -0.020 0.000 0.787 125 D N 0.048 120.442 120.400 -0.010 0.000 2.133 125 D HA -0.223 4.417 4.640 0.000 0.000 0.192 125 D C 1.988 178.283 176.300 -0.008 0.000 1.001 125 D CA 1.295 55.291 54.000 -0.006 0.000 0.844 125 D CB -1.165 39.633 40.800 -0.003 0.000 0.944 125 D HN 0.021 nan 8.370 nan 0.000 0.447 126 L N 1.011 122.229 121.223 -0.009 0.000 1.976 126 L HA -0.223 4.117 4.340 0.000 0.000 0.223 126 L C 2.637 179.501 176.870 -0.011 0.000 1.081 126 L CA 1.689 56.523 54.840 -0.010 0.000 0.784 126 L CB -0.821 41.231 42.059 -0.012 0.000 0.896 126 L HN 0.110 nan 8.230 nan 0.000 0.438 127 I N -0.377 120.184 120.570 -0.015 0.000 2.077 127 I HA -0.455 3.715 4.170 0.000 0.000 0.231 127 I C 2.769 178.878 176.117 -0.013 0.000 1.011 127 I CA 2.321 63.611 61.300 -0.016 0.000 1.304 127 I CB -0.653 37.334 38.000 -0.021 0.000 1.019 127 I HN 0.423 nan 8.210 nan 0.000 0.388 128 R N 1.103 121.596 120.500 -0.012 0.000 2.153 128 R HA -0.304 4.036 4.340 0.000 0.000 0.252 128 R C 1.947 178.242 176.300 -0.009 0.000 1.158 128 R CA 2.199 58.294 56.100 -0.010 0.000 0.975 128 R CB -0.923 29.373 30.300 -0.008 0.000 0.871 128 R HN 0.430 nan 8.270 nan 0.000 0.450 129 E N 1.527 121.722 120.200 -0.008 0.000 2.065 129 E HA -0.182 4.168 4.350 0.000 0.000 0.201 129 E C 1.930 178.527 176.600 -0.006 0.000 1.016 129 E CA 2.147 58.544 56.400 -0.006 0.000 0.818 129 E CB -0.260 29.437 29.700 -0.005 0.000 0.749 129 E HN 0.243 nan 8.360 nan 0.000 0.453 130 V N 0.124 120.034 119.914 -0.008 0.000 2.214 130 V HA -0.318 3.802 4.120 0.000 0.000 0.244 130 V C 2.518 178.607 176.094 -0.008 0.000 1.045 130 V CA 1.910 64.205 62.300 -0.008 0.000 0.993 130 V CB -0.880 30.937 31.823 -0.010 0.000 0.633 130 V HN 0.302 nan 8.190 nan 0.000 0.449 131 V N 0.020 119.927 119.914 -0.011 0.000 2.313 131 V HA -0.427 3.693 4.120 0.000 0.000 0.261 131 V C 2.472 178.561 176.094 -0.009 0.000 1.096 131 V CA 2.624 64.917 62.300 -0.012 0.000 1.090 131 V CB -1.040 30.776 31.823 -0.012 0.000 0.683 131 V HN 0.498 nan 8.190 nan 0.000 0.452 132 R N -0.195 120.299 120.500 -0.009 0.000 2.127 132 R HA -0.109 4.231 4.340 0.000 0.000 0.219 132 R C 2.507 178.803 176.300 -0.007 0.000 1.133 132 R CA 1.458 57.552 56.100 -0.010 0.000 0.890 132 R CB -1.081 29.214 30.300 -0.009 0.000 0.804 132 R HN 0.484 nan 8.270 nan 0.000 0.443 133 A N 2.032 124.850 122.820 -0.003 0.000 1.886 133 A HA -0.357 3.963 4.320 0.000 0.000 0.240 133 A C 2.045 179.630 177.584 0.002 0.000 1.875 133 A CA 2.559 54.597 52.037 0.002 0.000 0.760 133 A CB -0.834 18.168 19.000 0.004 0.000 0.849 133 A HN 0.282 nan 8.150 nan 0.000 0.505 134 K N -0.644 119.757 120.400 0.002 0.000 2.020 134 K HA -0.134 4.186 4.320 0.000 0.000 0.212 134 K C 1.980 178.583 176.600 0.004 0.000 1.050 134 K CA 1.901 58.191 56.287 0.005 0.000 0.929 134 K CB -0.746 31.756 32.500 0.004 0.000 0.714 134 K HN 0.733 nan 8.250 nan 0.000 0.443 135 I N 1.101 121.670 120.570 -0.000 0.000 2.315 135 I HA -0.208 3.962 4.170 0.000 0.000 0.248 135 I C 1.812 177.923 176.117 -0.010 0.000 1.117 135 I CA 0.807 62.105 61.300 -0.004 0.000 1.404 135 I CB -0.288 37.705 38.000 -0.012 0.000 1.071 135 I HN 0.011 nan 8.210 nan 0.000 0.419 136 L N 1.406 122.622 121.223 -0.010 0.000 2.711 136 L HA 0.144 4.484 4.340 0.000 0.000 0.242 136 L C 1.151 178.020 176.870 -0.002 0.000 1.153 136 L CA -0.054 54.780 54.840 -0.010 0.000 0.898 136 L CB -1.711 40.344 42.059 -0.007 0.000 1.044 136 L HN 0.435 nan 8.230 nan 0.000 0.437 137 G N 0.096 108.896 108.800 0.001 0.000 2.915 137 G HA2 -0.318 3.642 3.960 0.000 0.000 0.337 137 G HA3 -0.318 3.642 3.960 0.000 0.000 0.337 137 G C 0.470 175.374 174.900 0.007 0.000 1.477 137 G CA 0.042 45.145 45.100 0.005 0.000 0.916 137 G HN 0.234 nan 8.290 nan 0.000 0.550 138 S N -0.687 115.019 115.700 0.009 0.000 2.503 138 S HA 0.372 4.842 4.470 0.000 0.000 0.215 138 S C 2.471 177.077 174.600 0.009 0.000 1.003 138 S CA 1.257 59.465 58.200 0.013 0.000 0.910 138 S CB -0.242 62.967 63.200 0.015 0.000 0.790 138 S HN 1.950 nan 8.310 nan 0.000 0.514 139 A N 1.232 124.053 122.820 0.002 0.000 2.209 139 A HA 0.145 4.465 4.320 0.000 0.000 0.212 139 A C 1.975 179.555 177.584 -0.007 0.000 1.158 139 A CA 0.796 52.828 52.037 -0.007 0.000 0.742 139 A CB -0.365 18.630 19.000 -0.007 0.000 0.790 139 A HN 0.536 nan 8.150 nan 0.000 0.472 140 R N -0.028 120.474 120.500 0.002 0.000 2.373 140 R HA 0.132 4.472 4.340 0.000 0.000 0.221 140 R C 0.291 176.601 176.300 0.016 0.000 0.893 140 R CA 0.600 56.703 56.100 0.005 0.000 1.049 140 R CB 0.079 30.382 30.300 0.005 0.000 1.119 140 R HN 0.347 nan 8.270 nan 0.000 0.535 141 V N 2.445 122.373 119.914 0.024 0.000 2.584 141 V HA -0.008 4.113 4.120 0.000 0.000 0.303 141 V C 0.137 176.267 176.094 0.060 0.000 1.035 141 V CA -0.374 61.949 62.300 0.039 0.000 1.172 141 V CB -0.170 31.683 31.823 0.049 0.000 0.896 141 V HN 0.319 nan 8.190 nan 0.000 0.486 142 R N 2.299 122.830 120.500 0.052 0.000 2.457 142 R HA 0.060 4.400 4.340 0.000 0.000 0.335 142 R C 0.657 177.022 176.300 0.108 0.000 1.003 142 R CA -0.109 56.030 56.100 0.065 0.000 1.003 142 R CB -0.239 30.084 30.300 0.039 0.000 0.950 142 R HN 0.884 nan 8.270 nan 0.000 0.428 143 H N 3.270 122.340 119.070 0.000 0.000 2.492 143 H HA -0.062 4.494 4.556 0.000 0.000 0.296 143 H C 0.707 176.035 175.328 -0.000 0.000 1.095 143 H CA 1.471 57.519 56.048 0.000 0.000 1.281 143 H CB 0.160 29.922 29.762 0.001 0.000 1.374 143 H HN 0.707 nan 8.280 nan 0.000 0.545 144 I N -1.873 118.734 120.570 0.062 0.000 2.537 144 I HA 0.327 4.497 4.170 0.000 0.000 0.276 144 I C -2.553 173.570 176.117 0.010 0.000 1.063 144 I CA -2.229 59.074 61.300 0.005 0.000 1.144 144 I CB 2.439 40.447 38.000 0.013 0.000 1.252 144 I HN -0.191 nan 8.210 nan 0.000 0.480 145 P HA 0.105 nan 4.420 nan 0.000 0.249 145 P C 0.917 178.216 177.300 -0.002 0.000 1.686 145 P CA 0.634 63.735 63.100 0.002 0.000 0.873 145 P CB -0.124 31.574 31.700 -0.003 0.000 1.828 146 G N 0.344 109.144 108.800 0.000 0.000 2.149 146 G HA2 -0.268 3.692 3.960 0.000 0.000 0.235 146 G HA3 -0.268 3.692 3.960 0.000 0.000 0.235 146 G C 0.219 175.114 174.900 -0.007 0.000 1.018 146 G CA -0.232 44.867 45.100 -0.002 0.000 0.728 146 G HN 0.458 nan 8.290 nan 0.000 0.508 147 L N -1.967 119.249 121.223 -0.012 0.000 3.453 147 L HA -0.214 4.126 4.340 0.000 0.000 0.650 147 L C 1.279 178.133 176.870 -0.025 0.000 1.276 147 L CA 1.199 56.026 54.840 -0.021 0.000 1.063 147 L CB -1.282 40.767 42.059 -0.016 0.000 1.664 147 L HN 0.696 nan 8.230 nan 0.000 0.878 148 K N -1.432 118.949 120.400 -0.031 0.000 3.548 148 K HA -0.243 4.077 4.320 0.000 0.000 0.296 148 K C 1.370 177.958 176.600 -0.019 0.000 1.324 148 K CA 1.422 57.691 56.287 -0.029 0.000 0.976 148 K CB -0.698 31.785 32.500 -0.029 0.000 1.294 148 K HN 0.702 nan 8.250 nan 0.000 0.464 149 E N 0.824 121.015 120.200 -0.014 0.000 2.055 149 E HA -0.163 4.187 4.350 0.000 0.000 0.209 149 E C 0.021 176.616 176.600 -0.010 0.000 1.036 149 E CA 2.057 58.451 56.400 -0.010 0.000 0.849 149 E CB 0.093 29.789 29.700 -0.007 0.000 0.767 149 E HN 0.364 nan 8.360 nan 0.000 0.461 150 T N 0.610 115.159 114.554 -0.009 0.000 2.829 150 T HA 0.366 4.716 4.350 0.000 0.000 0.282 150 T C 0.136 174.830 174.700 -0.011 0.000 0.990 150 T CA -0.521 61.574 62.100 -0.008 0.000 1.028 150 T CB 1.365 70.230 68.868 -0.005 0.000 0.951 150 T HN 0.075 nan 8.240 nan 0.000 0.460 151 L N 3.545 124.762 121.223 -0.011 0.000 2.416 151 L HA 0.074 4.414 4.340 0.000 0.000 0.243 151 L C 1.082 177.947 176.870 -0.008 0.000 1.373 151 L CA -0.304 54.528 54.840 -0.013 0.000 1.227 151 L CB -0.388 41.664 42.059 -0.011 0.000 1.428 151 L HN 0.719 nan 8.230 nan 0.000 0.425 152 D N 2.043 122.439 120.400 -0.007 0.000 2.244 152 D HA -0.194 4.446 4.640 0.000 0.000 0.197 152 D C -0.626 175.677 176.300 0.005 0.000 1.006 152 D CA 1.553 55.555 54.000 0.002 0.000 0.888 152 D CB -0.482 40.323 40.800 0.009 0.000 0.912 152 D HN 0.469 nan 8.370 nan 0.000 0.452 153 P HA 0.115 nan 4.420 nan 0.000 0.268 153 P C 0.924 178.225 177.300 0.002 0.000 1.248 153 P CA 0.505 63.608 63.100 0.005 0.000 0.851 153 P CB 0.820 32.523 31.700 0.005 0.000 1.238 154 K N -0.731 119.668 120.400 -0.002 0.000 2.363 154 K HA 0.164 4.484 4.320 0.000 0.000 0.215 154 K C 1.919 178.518 176.600 -0.002 0.000 1.179 154 K CA 0.770 57.055 56.287 -0.002 0.000 0.856 154 K CB -0.777 31.720 32.500 -0.005 0.000 1.371 154 K HN -0.259 nan 8.250 nan 0.000 0.455 155 T N 2.644 117.196 114.554 -0.004 0.000 2.946 155 T HA -0.100 4.250 4.350 0.000 0.000 0.271 155 T C 1.984 176.682 174.700 -0.003 0.000 1.104 155 T CA 1.345 63.442 62.100 -0.004 0.000 1.114 155 T CB -0.433 68.431 68.868 -0.006 0.000 0.867 155 T HN 0.169 nan 8.240 nan 0.000 0.513 156 V N 0.896 120.809 119.914 -0.002 0.000 2.222 156 V HA -0.157 3.963 4.120 0.000 0.000 0.240 156 V C 2.213 178.307 176.094 -0.000 0.000 1.040 156 V CA 1.562 63.862 62.300 -0.001 0.000 0.988 156 V CB -1.218 30.605 31.823 0.002 0.000 0.633 156 V HN 0.193 nan 8.190 nan 0.000 0.452 157 E N 0.780 120.981 120.200 0.002 0.000 2.136 157 E HA -0.247 4.103 4.350 0.000 0.000 0.202 157 E C 2.062 178.663 176.600 0.002 0.000 1.019 157 E CA 2.104 58.506 56.400 0.003 0.000 0.819 157 E CB -0.631 29.072 29.700 0.005 0.000 0.739 157 E HN 0.815 nan 8.360 nan 0.000 0.458 158 E N -0.039 120.162 120.200 0.001 0.000 2.113 158 E HA -0.261 4.089 4.350 0.000 0.000 0.210 158 E C 1.990 178.589 176.600 -0.001 0.000 1.040 158 E CA 1.563 57.963 56.400 -0.000 0.000 0.847 158 E CB -0.325 29.374 29.700 -0.002 0.000 0.755 158 E HN 0.243 nan 8.360 nan 0.000 0.459 159 I N 1.994 122.562 120.570 -0.004 0.000 2.099 159 I HA -0.257 3.913 4.170 0.000 0.000 0.239 159 I C 1.985 178.099 176.117 -0.006 0.000 1.066 159 I CA 1.420 62.717 61.300 -0.006 0.000 1.324 159 I CB -1.576 36.419 38.000 -0.009 0.000 1.037 159 I HN 0.115 nan 8.210 nan 0.000 0.401 160 D N 0.866 121.263 120.400 -0.005 0.000 2.242 160 D HA -0.275 4.365 4.640 0.000 0.000 0.193 160 D C 2.033 178.334 176.300 0.001 0.000 1.005 160 D CA 1.903 55.901 54.000 -0.004 0.000 0.856 160 D CB -0.399 40.401 40.800 0.001 0.000 1.001 160 D HN 0.333 nan 8.370 nan 0.000 0.452 161 Q N 0.880 120.684 119.800 0.006 0.000 2.217 161 Q HA -0.152 4.188 4.340 0.000 0.000 0.209 161 Q C 2.056 178.063 176.000 0.011 0.000 0.988 161 Q CA 1.280 57.090 55.803 0.011 0.000 0.878 161 Q CB -0.185 28.559 28.738 0.010 0.000 0.909 161 Q HN 0.354 nan 8.270 nan 0.000 0.424 162 K N -0.097 120.306 120.400 0.006 0.000 1.973 162 K HA -0.099 4.221 4.320 0.000 0.000 0.212 162 K C 2.076 178.681 176.600 0.009 0.000 1.047 162 K CA 1.463 57.753 56.287 0.006 0.000 0.937 162 K CB -0.432 32.068 32.500 -0.001 0.000 0.721 162 K HN 0.174 nan 8.250 nan 0.000 0.440 163 L N 1.334 122.559 121.223 0.002 0.000 2.013 163 L HA -0.236 4.104 4.340 0.000 0.000 0.212 163 L C 2.378 179.257 176.870 0.015 0.000 1.073 163 L CA 1.565 56.407 54.840 0.003 0.000 0.753 163 L CB -0.746 41.303 42.059 -0.017 0.000 0.890 163 L HN 0.162 nan 8.230 nan 0.000 0.432 164 K N 0.601 121.007 120.400 0.009 0.000 2.103 164 K HA -0.136 4.184 4.320 0.000 0.000 0.207 164 K C 2.019 178.644 176.600 0.041 0.000 1.048 164 K CA 1.767 58.070 56.287 0.026 0.000 0.930 164 K CB -0.337 32.181 32.500 0.028 0.000 0.716 164 K HN 0.428 nan 8.250 nan 0.000 0.444 165 S N 0.828 116.548 115.700 0.033 0.000 2.786 165 S HA 0.088 4.558 4.470 0.000 0.000 0.223 165 S C 0.508 175.139 174.600 0.051 0.000 0.956 165 S CA -0.147 58.075 58.200 0.037 0.000 0.961 165 S CB -0.576 62.640 63.200 0.026 0.000 0.784 165 S HN 0.073 nan 8.310 nan 0.000 0.519 166 L N 0.826 122.090 121.223 0.068 0.000 2.344 166 L HA 0.552 4.892 4.340 0.000 0.000 0.272 166 L C -2.427 174.524 176.870 0.135 0.000 1.035 166 L CA -2.997 51.911 54.840 0.114 0.000 0.807 166 L CB 0.837 42.972 42.059 0.126 0.000 1.237 166 L HN -0.066 nan 8.230 nan 0.000 0.442 167 P HA -0.001 nan 4.420 nan 0.000 0.267 167 P C 0.065 177.373 177.300 0.014 0.000 1.201 167 P CA 0.042 63.185 63.100 0.072 0.000 0.775 167 P CB 0.596 32.314 31.700 0.031 0.000 0.854 168 K N 1.613 121.993 120.400 -0.033 0.000 2.000 168 K HA -0.268 4.052 4.320 0.000 0.000 0.218 168 K C 1.772 178.309 176.600 -0.105 0.000 1.053 168 K CA 2.131 58.394 56.287 -0.041 0.000 0.946 168 K CB -0.478 31.989 32.500 -0.056 0.000 0.723 168 K HN 0.460 nan 8.250 nan 0.000 0.446 169 E N 0.071 120.149 120.200 -0.204 0.000 2.200 169 E HA -0.248 4.102 4.350 0.000 0.000 0.211 169 E C 1.976 178.430 176.600 -0.245 0.000 1.048 169 E CA 1.952 58.180 56.400 -0.286 0.000 0.851 169 E CB -0.400 29.081 29.700 -0.365 0.000 0.747 169 E HN 0.460 nan 8.360 nan 0.000 0.462 170 H N -0.195 118.921 119.070 0.076 0.000 2.300 170 H HA 0.136 4.692 4.556 0.000 0.000 0.312 170 H C 1.959 177.394 175.328 0.177 0.000 1.057 170 H CA 1.235 57.447 56.048 0.273 0.000 1.380 170 H CB -0.608 29.264 29.762 0.184 0.000 1.424 170 H HN 0.082 nan 8.280 nan 0.000 0.534 171 K N 1.630 122.160 120.400 0.217 0.000 2.242 171 K HA -0.222 4.098 4.320 0.000 0.000 0.206 171 K C 2.341 178.984 176.600 0.073 0.000 1.045 171 K CA 1.720 58.074 56.287 0.111 0.000 0.930 171 K CB 0.122 32.684 32.500 0.103 0.000 0.726 171 K HN 0.348 nan 8.250 nan 0.000 0.462 172 R N -0.899 119.616 120.500 0.025 0.000 2.073 172 R HA -0.180 4.160 4.340 0.000 0.000 0.234 172 R C 1.952 178.250 176.300 -0.003 0.000 1.134 172 R CA 1.842 57.948 56.100 0.010 0.000 0.952 172 R CB -1.184 29.004 30.300 -0.187 0.000 0.850 172 R HN 0.217 nan 8.270 nan 0.000 0.433 173 Y N 1.447 121.783 120.300 0.060 0.000 2.181 173 Y HA -0.288 4.262 4.550 0.000 0.000 0.284 173 Y C 2.426 178.319 175.900 -0.011 0.000 1.179 173 Y CA 1.053 59.173 58.100 0.033 0.000 1.179 173 Y CB -0.403 38.081 38.460 0.039 0.000 0.973 173 Y HN 0.127 nan 8.280 nan 0.000 0.519 174 L N 0.618 121.882 121.223 0.069 0.000 1.941 174 L HA -0.312 4.028 4.340 0.000 0.000 0.224 174 L C 1.988 178.756 176.870 -0.168 0.000 1.081 174 L CA 2.273 57.039 54.840 -0.124 0.000 0.784 174 L CB -1.518 40.345 42.059 -0.327 0.000 0.894 174 L HN 0.320 nan 8.230 nan 0.000 0.436 175 H N -0.703 118.390 119.070 0.037 0.000 2.492 175 H HA -0.145 4.411 4.556 0.000 0.000 0.296 175 H C 2.169 177.511 175.328 0.023 0.000 1.095 175 H CA 1.642 57.703 56.048 0.021 0.000 1.281 175 H CB -0.430 29.335 29.762 0.005 0.000 1.374 175 H HN 0.438 nan 8.280 nan 0.000 0.545 176 I N 0.407 121.044 120.570 0.112 0.000 2.090 176 I HA -0.283 3.887 4.170 0.000 0.000 0.236 176 I C 2.736 178.891 176.117 0.063 0.000 1.064 176 I CA 1.069 62.422 61.300 0.089 0.000 1.324 176 I CB -0.596 37.473 38.000 0.114 0.000 1.044 176 I HN 0.374 nan 8.210 nan 0.000 0.399 177 A N 0.726 123.580 122.820 0.056 0.000 1.948 177 A HA -0.227 4.093 4.320 0.000 0.000 0.220 177 A C 2.383 179.978 177.584 0.018 0.000 1.177 177 A CA 1.464 53.519 52.037 0.031 0.000 0.636 177 A CB -0.553 18.459 19.000 0.020 0.000 0.815 177 A HN 0.283 nan 8.150 nan 0.000 0.449 178 R N -0.227 120.283 120.500 0.018 0.000 2.171 178 R HA -0.154 4.186 4.340 0.000 0.000 0.226 178 R C 2.024 178.341 176.300 0.030 0.000 1.113 178 R CA 1.697 57.810 56.100 0.022 0.000 0.887 178 R CB -1.053 29.274 30.300 0.046 0.000 0.830 178 R HN 0.636 nan 8.270 nan 0.000 0.432 179 E N -0.310 119.919 120.200 0.049 0.000 2.114 179 E HA -0.184 4.166 4.350 0.000 0.000 0.199 179 E C 1.970 178.586 176.600 0.025 0.000 1.008 179 E CA 1.511 57.937 56.400 0.043 0.000 0.810 179 E CB -0.528 29.200 29.700 0.045 0.000 0.739 179 E HN 0.563 nan 8.360 nan 0.000 0.456 180 G N 1.406 110.218 108.800 0.020 0.000 2.599 180 G HA2 -0.383 3.577 3.960 0.000 0.000 0.219 180 G HA3 -0.383 3.577 3.960 0.000 0.000 0.219 180 G C 1.589 176.485 174.900 -0.007 0.000 1.193 180 G CA 1.469 46.573 45.100 0.006 0.000 0.778 180 G HN 0.290 nan 8.290 nan 0.000 0.589 181 E N 0.933 121.127 120.200 -0.010 0.000 2.047 181 E HA 0.067 4.417 4.350 0.000 0.000 0.191 181 E C 2.785 179.351 176.600 -0.056 0.000 0.987 181 E CA 1.557 57.941 56.400 -0.027 0.000 0.799 181 E CB -0.810 28.876 29.700 -0.023 0.000 0.752 181 E HN 0.307 nan 8.360 nan 0.000 0.449 182 A N 1.237 124.027 122.820 -0.050 0.000 1.884 182 A HA -0.219 4.101 4.320 0.000 0.000 0.219 182 A C 2.511 180.002 177.584 -0.156 0.000 1.197 182 A CA 2.935 54.910 52.037 -0.104 0.000 0.637 182 A CB -1.418 17.574 19.000 -0.013 0.000 0.827 182 A HN 0.425 nan 8.150 nan 0.000 0.450 183 A N -0.184 122.639 122.820 0.006 0.000 1.869 183 A HA -0.272 4.048 4.320 0.000 0.000 0.218 183 A C 2.201 179.781 177.584 -0.007 0.000 1.203 183 A CA 2.524 54.615 52.037 0.090 0.000 0.638 183 A CB -0.750 18.269 19.000 0.031 0.000 0.831 183 A HN 0.675 nan 8.150 nan 0.000 0.450 184 R N -0.996 119.474 120.500 -0.051 0.000 2.179 184 R HA -0.305 4.035 4.340 0.000 0.000 0.238 184 R C 2.337 178.588 176.300 -0.081 0.000 1.119 184 R CA 2.459 58.523 56.100 -0.061 0.000 0.915 184 R CB -0.583 29.687 30.300 -0.050 0.000 0.870 184 R HN 0.558 nan 8.270 nan 0.000 0.432 185 Q N -0.122 119.593 119.800 -0.141 0.000 2.007 185 Q HA -0.281 4.059 4.340 0.000 0.000 0.214 185 Q C 2.139 178.056 176.000 -0.137 0.000 1.031 185 Q CA 2.295 57.992 55.803 -0.177 0.000 0.886 185 Q CB -1.250 27.308 28.738 -0.300 0.000 0.992 185 Q HN 0.653 nan 8.270 nan 0.000 0.415 186 H N 0.308 119.365 119.070 -0.021 0.000 2.261 186 H HA -0.190 4.366 4.556 0.000 0.000 0.290 186 H C 2.246 177.555 175.328 -0.032 0.000 1.081 186 H CA 1.670 57.703 56.048 -0.025 0.000 1.196 186 H CB -0.938 28.804 29.762 -0.034 0.000 1.350 186 H HN 0.173 nan 8.280 nan 0.000 0.498 187 L N 1.079 122.350 121.223 0.079 0.000 2.011 187 L HA -0.231 4.109 4.340 0.000 0.000 0.225 187 L C 2.547 179.430 176.870 0.021 0.000 1.084 187 L CA 1.483 56.314 54.840 -0.014 0.000 0.791 187 L CB -1.294 40.693 42.059 -0.121 0.000 0.898 187 L HN 0.252 nan 8.230 nan 0.000 0.440 188 I N -0.676 119.908 120.570 0.024 0.000 2.110 188 I HA -0.446 3.724 4.170 0.000 0.000 0.226 188 I C 2.369 178.520 176.117 0.057 0.000 1.001 188 I CA 1.931 63.264 61.300 0.054 0.000 1.309 188 I CB -0.645 37.371 38.000 0.027 0.000 1.022 188 I HN 0.303 nan 8.210 nan 0.000 0.384 189 E N 1.014 121.236 120.200 0.037 0.000 2.119 189 E HA -0.344 4.006 4.350 0.000 0.000 0.221 189 E C 2.147 178.758 176.600 0.019 0.000 1.062 189 E CA 2.097 58.511 56.400 0.022 0.000 0.894 189 E CB -0.588 29.128 29.700 0.027 0.000 0.785 189 E HN 0.595 nan 8.360 nan 0.000 0.472 190 A N 0.712 123.554 122.820 0.037 0.000 2.067 190 A HA -0.272 4.048 4.320 0.000 0.000 0.224 190 A C 1.467 179.074 177.584 0.040 0.000 1.172 190 A CA 1.963 54.019 52.037 0.032 0.000 0.662 190 A CB -0.438 18.584 19.000 0.037 0.000 0.814 190 A HN 0.260 nan 8.150 nan 0.000 0.468 191 N N -1.023 117.714 118.700 0.062 0.000 2.200 191 N HA 0.230 4.970 4.740 0.000 0.000 0.224 191 N C 0.963 176.502 175.510 0.050 0.000 1.179 191 N CA -0.063 53.033 53.050 0.076 0.000 0.877 191 N CB 0.368 38.944 38.487 0.149 0.000 1.072 191 N HN 0.429 nan 8.380 nan 0.000 0.519 192 L N 0.603 121.839 121.223 0.022 0.000 2.187 192 L HA -0.118 4.222 4.340 0.000 0.000 0.213 192 L C 2.636 179.509 176.870 0.005 0.000 1.100 192 L CA 1.247 56.093 54.840 0.010 0.000 0.765 192 L CB -0.195 41.832 42.059 -0.053 0.000 0.904 192 L HN 0.145 nan 8.230 nan 0.000 0.437 193 R N -0.008 120.484 120.500 -0.013 0.000 2.093 193 R HA -0.129 4.211 4.340 0.000 0.000 0.224 193 R C 2.344 178.664 176.300 0.033 0.000 1.101 193 R CA 0.636 56.737 56.100 0.002 0.000 0.979 193 R CB -0.075 30.218 30.300 -0.013 0.000 0.877 193 R HN 0.205 nan 8.270 nan 0.000 0.441 194 L N 1.196 122.440 121.223 0.034 0.000 2.013 194 L HA -0.193 4.147 4.340 0.000 0.000 0.212 194 L C 2.029 178.918 176.870 0.032 0.000 1.073 194 L CA 1.732 56.595 54.840 0.037 0.000 0.753 194 L CB -0.999 41.083 42.059 0.038 0.000 0.890 194 L HN 0.115 nan 8.230 nan 0.000 0.432 195 V N -0.204 119.726 119.914 0.026 0.000 2.227 195 V HA -0.405 3.715 4.120 0.000 0.000 0.249 195 V C 2.687 178.790 176.094 0.014 0.000 1.046 195 V CA 2.371 64.677 62.300 0.009 0.000 1.015 195 V CB -0.906 30.935 31.823 0.030 0.000 0.648 195 V HN 0.345 nan 8.190 nan 0.000 0.460 196 V N 1.111 121.056 119.914 0.053 0.000 2.252 196 V HA -0.356 3.764 4.120 0.000 0.000 0.255 196 V C 2.690 178.862 176.094 0.130 0.000 1.071 196 V CA 2.834 65.192 62.300 0.095 0.000 1.050 196 V CB -1.435 30.494 31.823 0.177 0.000 0.654 196 V HN 0.843 nan 8.190 nan 0.000 0.448 197 S N -0.293 115.471 115.700 0.108 0.000 2.441 197 S HA -0.213 4.257 4.470 0.000 0.000 0.242 197 S C 1.743 176.412 174.600 0.115 0.000 1.018 197 S CA 2.177 60.442 58.200 0.109 0.000 0.988 197 S CB -0.711 62.535 63.200 0.076 0.000 0.778 197 S HN 0.625 nan 8.310 nan 0.000 0.498 198 I N 1.564 122.186 120.570 0.087 0.000 2.364 198 I HA 0.083 4.253 4.170 0.000 0.000 0.241 198 I C 3.051 179.252 176.117 0.140 0.000 1.082 198 I CA 0.645 62.001 61.300 0.094 0.000 1.401 198 I CB -0.904 37.097 38.000 0.003 0.000 1.126 198 I HN 0.370 nan 8.210 nan 0.000 0.429 199 A N 1.512 124.341 122.820 0.014 0.000 1.985 199 A HA -0.317 4.003 4.320 0.000 0.000 0.223 199 A C 2.229 179.926 177.584 0.189 0.000 1.189 199 A CA 2.158 54.155 52.037 -0.066 0.000 0.658 199 A CB -0.752 17.963 19.000 -0.475 0.000 0.820 199 A HN 0.385 nan 8.150 nan 0.000 0.464 200 K N -0.860 119.750 120.400 0.351 0.000 2.089 200 K HA -0.240 4.080 4.320 0.000 0.000 0.210 200 K C 1.939 178.708 176.600 0.281 0.000 1.048 200 K CA 1.933 58.495 56.287 0.460 0.000 0.926 200 K CB -0.188 32.492 32.500 0.299 0.000 0.714 200 K HN 0.290 nan 8.250 nan 0.000 0.448 201 K N -0.106 120.437 120.400 0.238 0.000 2.217 201 K HA -0.059 4.261 4.320 0.000 0.000 0.202 201 K C 0.878 177.462 176.600 -0.026 0.000 1.051 201 K CA 0.973 57.321 56.287 0.102 0.000 0.952 201 K CB 0.006 32.556 32.500 0.083 0.000 0.736 201 K HN 0.172 nan 8.250 nan 0.000 0.453 202 Y N 0.704 121.030 120.300 0.043 0.000 2.676 202 Y HA 0.187 4.737 4.550 0.000 0.000 0.331 202 Y C 0.113 176.042 175.900 0.047 0.000 1.128 202 Y CA -0.271 57.840 58.100 0.018 0.000 1.360 202 Y CB -0.495 37.949 38.460 -0.026 0.000 1.176 202 Y HN -0.223 nan 8.280 nan 0.000 0.518 203 T N -0.954 113.698 114.554 0.163 0.000 2.899 203 T HA 0.427 4.777 4.350 0.000 0.000 0.284 203 T C 1.357 176.111 174.700 0.089 0.000 1.004 203 T CA 0.480 62.688 62.100 0.180 0.000 1.043 203 T CB 1.214 70.213 68.868 0.218 0.000 1.013 203 T HN 0.568 nan 8.240 nan 0.000 0.518 204 G N 1.688 110.540 108.800 0.087 0.000 2.609 204 G HA2 -0.372 3.588 3.960 0.000 0.000 0.235 204 G HA3 -0.372 3.588 3.960 0.000 0.000 0.235 204 G C 1.276 176.197 174.900 0.035 0.000 1.177 204 G CA 0.686 45.815 45.100 0.047 0.000 0.707 204 G HN 0.674 nan 8.290 nan 0.000 0.513 205 R N 1.108 121.627 120.500 0.030 0.000 2.267 205 R HA -0.002 4.338 4.340 0.000 0.000 0.259 205 R C 1.732 178.047 176.300 0.026 0.000 1.192 205 R CA 1.727 57.839 56.100 0.020 0.000 1.013 205 R CB -0.465 29.851 30.300 0.027 0.000 0.877 205 R HN 1.756 nan 8.270 nan 0.000 0.474 206 G N -0.014 108.807 108.800 0.035 0.000 2.678 206 G HA2 0.054 4.014 3.960 0.000 0.000 0.175 206 G HA3 0.054 4.014 3.960 0.000 0.000 0.175 206 G C -1.197 173.721 174.900 0.029 0.000 1.078 206 G CA -0.801 44.316 45.100 0.029 0.000 0.864 206 G HN 0.088 nan 8.290 nan 0.000 0.521 207 L N 0.204 121.451 121.223 0.041 0.000 2.830 207 L HA 0.671 5.011 4.340 0.000 0.000 0.259 207 L C 0.400 177.300 176.870 0.050 0.000 0.926 207 L CA -0.112 54.747 54.840 0.032 0.000 0.993 207 L CB 1.462 43.531 42.059 0.015 0.000 1.589 207 L HN 0.846 nan 8.230 nan 0.000 0.460 208 S N 2.980 118.706 115.700 0.043 0.000 2.784 208 S HA -0.048 4.422 4.470 0.000 0.000 0.322 208 S C 1.413 176.063 174.600 0.084 0.000 1.234 208 S CA 0.527 58.768 58.200 0.068 0.000 1.064 208 S CB -0.166 63.057 63.200 0.038 0.000 0.787 208 S HN 0.525 nan 8.310 nan 0.000 0.506 209 F N 5.561 125.509 119.950 -0.004 0.000 2.085 209 F HA -0.250 4.277 4.527 0.000 0.000 0.299 209 F C 1.675 177.458 175.800 -0.029 0.000 1.096 209 F CA 2.321 60.320 58.000 -0.001 0.000 1.227 209 F CB -0.572 38.433 39.000 0.008 0.000 0.983 209 F HN 0.720 nan 8.300 nan 0.000 0.482 210 L N -0.329 120.920 121.223 0.043 0.000 1.944 210 L HA -0.323 4.017 4.340 0.000 0.000 0.218 210 L C 2.350 179.116 176.870 -0.173 0.000 1.075 210 L CA 1.892 56.674 54.840 -0.098 0.000 0.767 210 L CB -1.303 40.727 42.059 -0.048 0.000 0.890 210 L HN 0.102 nan 8.230 nan 0.000 0.434 211 D N 0.340 120.677 120.400 -0.105 0.000 2.157 211 D HA -0.209 4.431 4.640 0.000 0.000 0.191 211 D C 2.337 178.551 176.300 -0.143 0.000 1.004 211 D CA 1.509 55.447 54.000 -0.102 0.000 0.854 211 D CB -0.420 40.344 40.800 -0.058 0.000 0.936 211 D HN 0.317 nan 8.370 nan 0.000 0.446 212 L N 0.518 121.639 121.223 -0.170 0.000 1.951 212 L HA -0.227 4.113 4.340 0.000 0.000 0.222 212 L C 2.691 179.395 176.870 -0.278 0.000 1.078 212 L CA 1.219 55.926 54.840 -0.220 0.000 0.778 212 L CB -0.949 40.939 42.059 -0.285 0.000 0.893 212 L HN 0.024 nan 8.230 nan 0.000 0.436 213 I N -0.486 119.846 120.570 -0.397 0.000 2.064 213 I HA -0.386 3.784 4.170 0.000 0.000 0.234 213 I C 2.893 178.889 176.117 -0.202 0.000 1.019 213 I CA 1.554 62.659 61.300 -0.324 0.000 1.301 213 I CB -0.752 37.037 38.000 -0.352 0.000 1.017 213 I HN 0.374 nan 8.210 nan 0.000 0.392 214 Q N 0.488 120.162 119.800 -0.210 0.000 2.156 214 Q HA -0.260 4.080 4.340 0.000 0.000 0.211 214 Q C 2.175 178.114 176.000 -0.102 0.000 0.995 214 Q CA 1.759 57.476 55.803 -0.143 0.000 0.877 214 Q CB -0.535 28.118 28.738 -0.142 0.000 0.920 214 Q HN 0.556 nan 8.270 nan 0.000 0.416 215 E N -0.430 119.700 120.200 -0.116 0.000 2.031 215 E HA -0.126 4.224 4.350 0.000 0.000 0.193 215 E C 2.081 178.621 176.600 -0.101 0.000 0.994 215 E CA 1.356 57.696 56.400 -0.099 0.000 0.800 215 E CB -0.737 28.898 29.700 -0.108 0.000 0.752 215 E HN 0.517 nan 8.360 nan 0.000 0.447 216 G N 2.014 110.733 108.800 -0.135 0.000 2.450 216 G HA2 -0.293 3.667 3.960 0.000 0.000 0.220 216 G HA3 -0.293 3.667 3.960 0.000 0.000 0.220 216 G C 1.508 176.365 174.900 -0.072 0.000 1.130 216 G CA 0.753 45.774 45.100 -0.132 0.000 0.760 216 G HN 0.171 nan 8.290 nan 0.000 0.557 217 N N 1.124 119.791 118.700 -0.055 0.000 2.043 217 N HA -0.146 4.594 4.740 0.000 0.000 0.193 217 N C 2.553 178.059 175.510 -0.008 0.000 1.037 217 N CA 1.797 54.840 53.050 -0.011 0.000 0.851 217 N CB -0.405 38.086 38.487 0.007 0.000 1.027 217 N HN 0.696 nan 8.380 nan 0.000 0.422 218 Q N -0.186 119.601 119.800 -0.021 0.000 2.084 218 Q HA -0.000 4.340 4.340 0.000 0.000 0.202 218 Q C 2.179 178.174 176.000 -0.008 0.000 0.978 218 Q CA 1.556 57.351 55.803 -0.014 0.000 0.844 218 Q CB -0.737 27.990 28.738 -0.018 0.000 0.898 218 Q HN 0.237 nan 8.270 nan 0.000 0.426 219 G N 1.780 110.576 108.800 -0.007 0.000 2.450 219 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 219 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 219 G C 1.399 176.327 174.900 0.048 0.000 1.130 219 G CA 0.954 46.078 45.100 0.040 0.000 0.760 219 G HN 0.313 nan 8.290 nan 0.000 0.557 220 L N 0.980 122.210 121.223 0.011 0.000 1.973 220 L HA 0.051 4.391 4.340 0.000 0.000 0.208 220 L C 2.677 179.540 176.870 -0.012 0.000 1.073 220 L CA 1.445 56.290 54.840 0.008 0.000 0.746 220 L CB -0.909 41.163 42.059 0.022 0.000 0.891 220 L HN 0.265 nan 8.230 nan 0.000 0.433 221 I N -0.303 120.266 120.570 -0.002 0.000 2.143 221 I HA -0.404 3.766 4.170 0.000 0.000 0.245 221 I C 2.730 178.800 176.117 -0.078 0.000 1.068 221 I CA 1.896 63.190 61.300 -0.009 0.000 1.326 221 I CB -0.576 37.419 38.000 -0.009 0.000 1.028 221 I HN 0.387 nan 8.210 nan 0.000 0.412 222 R N 1.705 122.117 120.500 -0.148 0.000 2.097 222 R HA -0.192 4.148 4.340 0.000 0.000 0.236 222 R C 2.294 178.202 176.300 -0.654 0.000 1.135 222 R CA 2.167 58.071 56.100 -0.326 0.000 0.934 222 R CB -1.030 29.102 30.300 -0.280 0.000 0.846 222 R HN 0.367 nan 8.270 nan 0.000 0.431 223 A N -0.073 122.242 122.820 -0.841 0.000 1.958 223 A HA -0.196 4.124 4.320 0.000 0.000 0.221 223 A C 2.348 179.897 177.584 -0.058 0.000 1.178 223 A CA 2.166 53.613 52.037 -0.982 0.000 0.642 223 A CB -0.947 17.847 19.000 -0.343 0.000 0.816 223 A HN 0.232 nan 8.150 nan 0.000 0.453 224 V N -0.131 119.832 119.914 0.083 0.000 2.216 224 V HA -0.315 3.805 4.120 0.000 0.000 0.243 224 V C 2.402 178.593 176.094 0.162 0.000 1.044 224 V CA 2.331 64.787 62.300 0.259 0.000 0.995 224 V CB -1.044 30.866 31.823 0.146 0.000 0.633 224 V HN 0.814 nan 8.190 nan 0.000 0.446 225 E N 0.732 120.948 120.200 0.026 0.000 2.094 225 E HA -0.296 4.054 4.350 0.000 0.000 0.232 225 E C 0.658 177.302 176.600 0.074 0.000 1.055 225 E CA 1.630 58.041 56.400 0.018 0.000 0.923 225 E CB -0.181 29.488 29.700 -0.052 0.000 0.815 225 E HN 0.323 nan 8.360 nan 0.000 0.502 226 K N 0.835 121.226 120.400 -0.015 0.000 2.021 226 K HA 0.046 4.366 4.320 0.000 0.000 0.238 226 K C -0.817 176.033 176.600 0.417 0.000 1.149 226 K CA 0.374 56.747 56.287 0.144 0.000 1.105 226 K CB -1.062 31.490 32.500 0.088 0.000 1.246 226 K HN 0.181 nan 8.250 nan 0.000 0.307 227 F N 1.567 121.611 119.950 0.158 0.000 2.670 227 F HA 0.100 4.627 4.527 0.000 0.000 0.332 227 F C -1.024 174.804 175.800 0.046 0.000 1.179 227 F CA -0.938 57.109 58.000 0.077 0.000 1.076 227 F CB 1.343 40.360 39.000 0.029 0.000 1.322 227 F HN 0.291 nan 8.300 nan 0.000 0.515 228 E N 6.397 126.088 120.200 -0.849 0.000 2.042 228 E HA 0.115 4.465 4.350 0.000 0.000 0.260 228 E C 0.086 175.946 176.600 -1.234 0.000 0.975 228 E CA -0.578 55.369 56.400 -0.754 0.000 0.799 228 E CB 0.442 29.934 29.700 -0.346 0.000 1.131 228 E HN 0.843 nan 8.360 nan 0.000 0.423 229 Y N 3.259 122.830 120.300 -1.215 0.000 2.274 229 Y HA -0.143 4.407 4.550 0.000 0.000 0.290 229 Y C 1.580 177.157 175.900 -0.538 0.000 1.145 229 Y CA 0.925 58.567 58.100 -0.763 0.000 1.203 229 Y CB -0.343 38.002 38.460 -0.193 0.000 0.984 229 Y HN 0.160 nan 8.280 nan 0.000 0.533 230 K N 0.843 120.288 120.400 -1.591 0.000 2.163 230 K HA -0.206 4.114 4.320 0.000 0.000 0.210 230 K C 0.442 176.657 176.600 -0.643 0.000 1.048 230 K CA 1.881 57.481 56.287 -1.146 0.000 0.928 230 K CB -0.349 31.655 32.500 -0.826 0.000 0.716 230 K HN 0.382 nan 8.250 nan 0.000 0.459 231 R N 2.053 122.156 120.500 -0.662 0.000 2.220 231 R HA 0.136 4.476 4.340 0.000 0.000 0.340 231 R C -0.319 175.281 176.300 -1.167 0.000 1.076 231 R CA -0.593 55.164 56.100 -0.571 0.000 0.920 231 R CB 0.691 30.904 30.300 -0.145 0.000 1.062 231 R HN -0.018 nan 8.270 nan 0.000 0.469 232 R N 4.168 124.320 120.500 -0.580 0.000 2.488 232 R HA -0.044 4.296 4.340 0.000 0.000 0.317 232 R C -1.108 175.006 176.300 -0.310 0.000 0.941 232 R CA 0.787 56.649 56.100 -0.395 0.000 1.076 232 R CB -0.267 29.966 30.300 -0.111 0.000 0.917 232 R HN 0.480 nan 8.270 nan 0.000 0.407 233 F N 0.236 120.281 119.950 0.158 0.000 2.735 233 F HA 0.198 4.725 4.527 0.000 0.000 0.316 233 F C -1.043 174.911 175.800 0.257 0.000 1.093 233 F CA -1.443 56.667 58.000 0.184 0.000 0.989 233 F CB 0.276 39.381 39.000 0.174 0.000 1.246 233 F HN 0.352 nan 8.300 nan 0.000 0.463 234 K N 1.977 122.650 120.400 0.456 0.000 2.504 234 K HA 0.013 4.333 4.320 0.000 0.000 0.278 234 K C 0.445 177.306 176.600 0.436 0.000 1.025 234 K CA 0.048 56.553 56.287 0.363 0.000 1.093 234 K CB 0.232 32.879 32.500 0.245 0.000 0.873 234 K HN 0.697 nan 8.250 nan 0.000 0.483 235 F N 3.395 123.430 119.950 0.143 0.000 2.113 235 F HA -0.218 4.309 4.527 0.000 0.000 0.297 235 F C 2.480 178.359 175.800 0.131 0.000 1.103 235 F CA 1.942 59.943 58.000 0.002 0.000 1.248 235 F CB -0.750 38.122 39.000 -0.213 0.000 0.999 235 F HN 0.815 nan 8.300 nan 0.000 0.475 236 S N -0.061 115.737 115.700 0.163 0.000 2.460 236 S HA -0.370 4.100 4.470 0.000 0.000 0.241 236 S C 2.306 176.923 174.600 0.029 0.000 1.051 236 S CA 3.604 61.838 58.200 0.058 0.000 1.223 236 S CB -1.374 61.885 63.200 0.098 0.000 1.160 236 S HN 0.653 nan 8.310 nan 0.000 0.424 237 T N -1.158 113.451 114.554 0.092 0.000 2.714 237 T HA -0.264 4.086 4.350 0.000 0.000 0.268 237 T C 1.516 176.267 174.700 0.085 0.000 1.036 237 T CA 1.981 64.132 62.100 0.084 0.000 1.148 237 T CB -1.167 67.763 68.868 0.103 0.000 0.856 237 T HN 0.645 nan 8.240 nan 0.000 0.462 238 Y N 2.617 122.914 120.300 -0.006 0.000 2.181 238 Y HA 0.131 4.681 4.550 0.000 0.000 0.253 238 Y C 2.915 178.826 175.900 0.019 0.000 1.066 238 Y CA 1.496 59.606 58.100 0.016 0.000 1.060 238 Y CB -1.193 37.318 38.460 0.085 0.000 1.002 238 Y HN 0.214 nan 8.280 nan 0.000 0.475 239 A N -0.055 122.721 122.820 -0.073 0.000 1.985 239 A HA -0.351 3.969 4.320 0.000 0.000 0.223 239 A C 2.128 179.721 177.584 0.015 0.000 1.189 239 A CA 2.914 54.885 52.037 -0.110 0.000 0.658 239 A CB -1.758 16.875 19.000 -0.611 0.000 0.820 239 A HN 0.719 nan 8.150 nan 0.000 0.464 240 T N -1.699 112.834 114.554 -0.036 0.000 2.718 240 T HA -0.310 4.041 4.350 0.000 0.000 0.266 240 T C 1.243 175.965 174.700 0.037 0.000 1.033 240 T CA 1.932 64.033 62.100 0.002 0.000 1.151 240 T CB -0.431 68.449 68.868 0.020 0.000 0.853 240 T HN 0.773 nan 8.240 nan 0.000 0.466 241 W N 0.514 121.717 121.300 -0.162 0.000 2.282 241 W HA -0.141 4.519 4.660 0.000 0.000 0.325 241 W C 1.777 178.173 176.519 -0.206 0.000 1.211 241 W CA 0.912 58.114 57.345 -0.239 0.000 1.209 241 W CB -1.091 28.122 29.460 -0.411 0.000 1.185 241 W HN 0.270 nan 8.180 nan 0.000 0.454 242 W N 0.627 121.821 121.300 -0.177 0.000 2.262 242 W HA -0.364 4.296 4.660 -0.000 0.000 0.331 242 W C 2.484 178.789 176.519 -0.357 0.000 1.315 242 W CA 2.550 59.676 57.345 -0.364 0.000 1.302 242 W CB -1.456 27.945 29.460 -0.097 0.000 1.128 242 W HN -0.051 nan 8.180 nan 0.000 0.482 243 I N -0.268 120.301 120.570 -0.002 0.000 2.074 243 I HA -0.467 3.703 4.170 0.000 0.000 0.238 243 I C 2.634 178.589 176.117 -0.271 0.000 1.037 243 I CA 1.977 63.207 61.300 -0.116 0.000 1.301 243 I CB -0.911 37.022 38.000 -0.110 0.000 1.016 243 I HN 0.055 nan 8.210 nan 0.000 0.400 244 R N 0.283 120.580 120.500 -0.339 0.000 2.133 244 R HA -0.260 4.080 4.340 0.000 0.000 0.245 244 R C 2.395 178.439 176.300 -0.427 0.000 1.137 244 R CA 1.969 57.794 56.100 -0.458 0.000 0.947 244 R CB -0.509 29.603 30.300 -0.313 0.000 0.865 244 R HN 0.523 nan 8.270 nan 0.000 0.437 245 Q N 0.171 119.685 119.800 -0.478 0.000 1.956 245 Q HA -0.163 4.177 4.340 0.000 0.000 0.208 245 Q C 2.270 178.108 176.000 -0.270 0.000 0.998 245 Q CA 1.879 57.422 55.803 -0.434 0.000 0.855 245 Q CB -1.074 27.267 28.738 -0.660 0.000 0.928 245 Q HN 0.391 nan 8.270 nan 0.000 0.418 246 A N 1.166 123.861 122.820 -0.209 0.000 1.985 246 A HA -0.247 4.073 4.320 0.000 0.000 0.223 246 A C 2.260 179.754 177.584 -0.150 0.000 1.189 246 A CA 1.899 53.860 52.037 -0.127 0.000 0.658 246 A CB -0.983 17.970 19.000 -0.079 0.000 0.820 246 A HN 0.370 nan 8.150 nan 0.000 0.464 247 I N -0.420 120.016 120.570 -0.223 0.000 2.054 247 I HA -0.291 3.879 4.170 0.000 0.000 0.231 247 I C 2.341 178.371 176.117 -0.145 0.000 1.052 247 I CA 1.530 62.687 61.300 -0.240 0.000 1.320 247 I CB -0.743 36.967 38.000 -0.483 0.000 1.063 247 I HN 0.376 nan 8.210 nan 0.000 0.393 248 N N 0.837 119.456 118.700 -0.134 0.000 2.069 248 N HA -0.300 4.441 4.740 0.000 0.000 0.196 248 N C 1.879 177.359 175.510 -0.050 0.000 1.024 248 N CA 1.838 54.873 53.050 -0.025 0.000 0.869 248 N CB -0.657 37.822 38.487 -0.015 0.000 1.035 248 N HN 0.259 nan 8.380 nan 0.000 0.434 249 R N 1.412 121.858 120.500 -0.089 0.000 2.179 249 R HA -0.183 4.157 4.340 0.000 0.000 0.238 249 R C 2.073 178.341 176.300 -0.054 0.000 1.119 249 R CA 2.444 58.499 56.100 -0.075 0.000 0.915 249 R CB -1.218 29.029 30.300 -0.088 0.000 0.870 249 R HN 0.250 nan 8.270 nan 0.000 0.432 250 A N 0.138 122.923 122.820 -0.059 0.000 1.972 250 A HA -0.067 4.253 4.320 0.000 0.000 0.219 250 A C 2.470 180.035 177.584 -0.032 0.000 1.169 250 A CA 1.697 53.707 52.037 -0.046 0.000 0.635 250 A CB -0.623 18.344 19.000 -0.056 0.000 0.810 250 A HN 0.470 nan 8.150 nan 0.000 0.446 251 I N -0.297 120.259 120.570 -0.024 0.000 2.099 251 I HA -0.323 3.847 4.170 0.000 0.000 0.239 251 I C 3.028 179.140 176.117 -0.008 0.000 1.066 251 I CA 1.258 62.556 61.300 -0.002 0.000 1.324 251 I CB -0.496 37.521 38.000 0.029 0.000 1.037 251 I HN 0.370 nan 8.210 nan 0.000 0.401 252 A N 0.614 123.426 122.820 -0.015 0.000 1.940 252 A HA -0.255 4.065 4.320 0.000 0.000 0.219 252 A C 1.835 179.403 177.584 -0.027 0.000 1.176 252 A CA 2.258 54.282 52.037 -0.022 0.000 0.631 252 A CB -0.671 18.311 19.000 -0.030 0.000 0.814 252 A HN 0.400 nan 8.150 nan 0.000 0.446 253 D N -0.259 120.125 120.400 -0.027 0.000 2.088 253 D HA -0.148 4.492 4.640 0.000 0.000 0.196 253 D C 2.150 178.437 176.300 -0.022 0.000 0.983 253 D CA 1.769 55.753 54.000 -0.026 0.000 0.846 253 D CB -0.676 40.108 40.800 -0.027 0.000 0.992 253 D HN 0.624 nan 8.370 nan 0.000 0.448 254 Q N 0.189 119.977 119.800 -0.020 0.000 2.389 254 Q HA 0.202 4.542 4.340 0.000 0.000 0.204 254 Q C 2.012 178.005 176.000 -0.011 0.000 0.944 254 Q CA 0.557 56.351 55.803 -0.016 0.000 0.908 254 Q CB 0.089 28.816 28.738 -0.018 0.000 1.002 254 Q HN 0.196 nan 8.270 nan 0.000 0.493 255 A N 1.960 124.775 122.820 -0.009 0.000 1.870 255 A HA -0.231 4.089 4.320 0.000 0.000 0.219 255 A C 1.414 178.996 177.584 -0.004 0.000 1.224 255 A CA 1.198 53.233 52.037 -0.003 0.000 0.650 255 A CB -0.499 18.500 19.000 -0.002 0.000 0.836 255 A HN 0.251 nan 8.150 nan 0.000 0.454 256 R N -1.661 118.835 120.500 -0.008 0.000 2.726 256 R HA 0.251 4.591 4.340 0.000 0.000 0.272 256 R C 0.906 177.201 176.300 -0.008 0.000 1.097 256 R CA 0.619 56.715 56.100 -0.008 0.000 1.198 256 R CB 0.259 30.552 30.300 -0.012 0.000 1.114 256 R HN 0.320 nan 8.270 nan 0.000 0.550 257 T N 1.345 115.894 114.554 -0.007 0.000 3.081 257 T HA 0.201 4.551 4.350 0.000 0.000 0.255 257 T C 0.064 174.756 174.700 -0.012 0.000 1.113 257 T CA 0.371 62.466 62.100 -0.009 0.000 1.082 257 T CB 0.156 69.019 68.868 -0.008 0.000 0.939 257 T HN 0.212 nan 8.240 nan 0.000 0.506 258 I N 1.827 122.390 120.570 -0.013 0.000 2.465 258 I HA 0.441 4.611 4.170 0.000 0.000 0.291 258 I C 0.064 176.169 176.117 -0.019 0.000 1.014 258 I CA -1.399 59.892 61.300 -0.015 0.000 1.093 258 I CB 1.602 39.593 38.000 -0.014 0.000 1.267 258 I HN -0.093 nan 8.210 nan 0.000 0.431 259 R N 6.215 126.702 120.500 -0.020 0.000 2.458 259 R HA 0.418 4.758 4.340 0.000 0.000 0.303 259 R C -1.067 175.214 176.300 -0.032 0.000 1.013 259 R CA 0.563 56.648 56.100 -0.024 0.000 1.026 259 R CB -0.069 30.219 30.300 -0.021 0.000 0.948 259 R HN 0.710 nan 8.270 nan 0.000 0.417 260 I N 5.380 125.924 120.570 -0.044 0.000 2.802 260 I HA 0.525 4.695 4.170 0.000 0.000 0.298 260 I C -2.347 173.708 176.117 -0.104 0.000 1.176 260 I CA -2.855 58.405 61.300 -0.066 0.000 1.025 260 I CB 2.517 40.481 38.000 -0.061 0.000 1.243 260 I HN 0.614 nan 8.210 nan 0.000 0.424 261 P HA 0.079 nan 4.420 nan 0.000 0.269 261 P C 0.580 177.707 177.300 -0.289 0.000 1.217 261 P CA -0.385 62.556 63.100 -0.264 0.000 0.783 261 P CB 0.737 32.147 31.700 -0.483 0.000 0.898 262 V N 1.261 121.049 119.914 -0.210 0.000 2.255 262 V HA -0.253 3.867 4.120 0.000 0.000 0.243 262 V C 2.259 178.286 176.094 -0.112 0.000 1.038 262 V CA 2.340 64.570 62.300 -0.116 0.000 1.008 262 V CB -1.905 29.895 31.823 -0.038 0.000 0.645 262 V HN 0.768 nan 8.190 nan 0.000 0.449 263 H N -0.566 118.511 119.070 0.013 0.000 2.431 263 H HA -0.227 4.330 4.556 0.000 0.000 0.297 263 H C 1.996 177.345 175.328 0.035 0.000 1.115 263 H CA 2.162 58.224 56.048 0.023 0.000 1.277 263 H CB -0.685 29.089 29.762 0.019 0.000 1.372 263 H HN 0.243 nan 8.280 nan 0.000 0.516 264 M N 0.673 120.008 119.600 -0.441 0.000 2.126 264 M HA -0.161 4.319 4.480 0.000 0.000 0.259 264 M C 2.408 178.692 176.300 -0.026 0.000 1.073 264 M CA 1.487 56.679 55.300 -0.181 0.000 1.103 264 M CB -0.777 31.654 32.600 -0.282 0.000 1.284 264 M HN 0.353 nan 8.290 nan 0.000 0.420 265 V N 0.730 120.607 119.914 -0.061 0.000 2.222 265 V HA -0.351 3.769 4.120 0.000 0.000 0.252 265 V C 2.116 178.222 176.094 0.019 0.000 1.060 265 V CA 2.380 64.671 62.300 -0.017 0.000 1.027 265 V CB -1.369 30.439 31.823 -0.026 0.000 0.644 265 V HN 0.487 nan 8.190 nan 0.000 0.448 266 E N 0.690 120.909 120.200 0.031 0.000 2.154 266 E HA -0.386 3.964 4.350 0.000 0.000 0.240 266 E C 2.223 178.859 176.600 0.059 0.000 1.059 266 E CA 2.815 59.245 56.400 0.050 0.000 0.954 266 E CB -0.948 28.802 29.700 0.083 0.000 0.842 266 E HN 0.852 nan 8.360 nan 0.000 0.508 267 T N 0.248 114.867 114.554 0.109 0.000 2.649 267 T HA -0.262 4.088 4.350 0.000 0.000 0.268 267 T C 2.027 176.779 174.700 0.087 0.000 1.036 267 T CA 1.960 64.144 62.100 0.139 0.000 1.157 267 T CB -0.862 68.174 68.868 0.280 0.000 0.861 267 T HN 0.164 nan 8.240 nan 0.000 0.445 268 I N 2.814 123.432 120.570 0.081 0.000 2.068 268 I HA -0.315 3.855 4.170 0.000 0.000 0.238 268 I C 2.791 178.922 176.117 0.022 0.000 1.046 268 I CA 2.009 63.340 61.300 0.053 0.000 1.306 268 I CB -0.655 37.366 38.000 0.034 0.000 1.023 268 I HN 0.326 nan 8.210 nan 0.000 0.399 269 N N 1.145 119.852 118.700 0.012 0.000 2.025 269 N HA -0.269 4.471 4.740 0.000 0.000 0.194 269 N C 1.787 177.286 175.510 -0.019 0.000 1.044 269 N CA 1.570 54.618 53.050 -0.004 0.000 0.851 269 N CB -0.710 37.773 38.487 -0.006 0.000 1.036 269 N HN 0.391 nan 8.380 nan 0.000 0.422 270 K N 1.411 121.799 120.400 -0.020 0.000 2.148 270 K HA -0.218 4.102 4.320 0.000 0.000 0.213 270 K C 1.950 178.496 176.600 -0.090 0.000 1.050 270 K CA 1.332 57.587 56.287 -0.054 0.000 0.932 270 K CB -0.197 32.272 32.500 -0.051 0.000 0.717 270 K HN 0.153 nan 8.250 nan 0.000 0.462 271 L N 0.507 121.686 121.223 -0.073 0.000 1.925 271 L HA -0.184 4.156 4.340 0.000 0.000 0.214 271 L C 2.644 179.484 176.870 -0.050 0.000 1.091 271 L CA 1.484 56.276 54.840 -0.080 0.000 0.768 271 L CB -1.459 40.587 42.059 -0.022 0.000 0.887 271 L HN 0.359 nan 8.230 nan 0.000 0.433 272 S N 0.733 116.422 115.700 -0.019 0.000 2.451 272 S HA -0.381 4.089 4.470 0.000 0.000 0.272 272 S C 1.900 176.486 174.600 -0.025 0.000 1.136 272 S CA 2.196 60.389 58.200 -0.012 0.000 1.209 272 S CB -1.075 62.121 63.200 -0.006 0.000 1.130 272 S HN 0.360 nan 8.310 nan 0.000 0.440 273 R N 1.258 121.739 120.500 -0.033 0.000 2.143 273 R HA -0.129 4.211 4.340 0.000 0.000 0.239 273 R C 2.776 179.049 176.300 -0.044 0.000 1.126 273 R CA 2.125 58.202 56.100 -0.038 0.000 0.927 273 R CB -1.800 28.473 30.300 -0.045 0.000 0.860 273 R HN 0.588 nan 8.270 nan 0.000 0.433 274 T N 1.164 115.681 114.554 -0.061 0.000 2.653 274 T HA -0.264 4.086 4.350 0.000 0.000 0.268 274 T C 2.031 176.703 174.700 -0.047 0.000 1.035 274 T CA 1.691 63.751 62.100 -0.067 0.000 1.154 274 T CB -0.602 68.203 68.868 -0.105 0.000 0.862 274 T HN 0.509 nan 8.240 nan 0.000 0.441 275 A N 2.131 124.929 122.820 -0.037 0.000 1.944 275 A HA -0.359 3.961 4.320 0.000 0.000 0.222 275 A C 2.327 179.900 177.584 -0.019 0.000 1.237 275 A CA 2.568 54.593 52.037 -0.019 0.000 0.668 275 A CB -0.753 18.242 19.000 -0.008 0.000 0.830 275 A HN 0.594 nan 8.150 nan 0.000 0.471 276 R N -0.785 119.702 120.500 -0.021 0.000 2.075 276 R HA -0.136 4.204 4.340 0.000 0.000 0.230 276 R C 2.393 178.681 176.300 -0.022 0.000 1.140 276 R CA 1.631 57.719 56.100 -0.019 0.000 0.928 276 R CB -0.564 29.724 30.300 -0.020 0.000 0.834 276 R HN 0.730 nan 8.270 nan 0.000 0.429 277 Q N 0.573 120.357 119.800 -0.027 0.000 2.449 277 Q HA -0.140 4.200 4.340 0.000 0.000 0.214 277 Q C 1.779 177.763 176.000 -0.026 0.000 0.986 277 Q CA 0.967 56.754 55.803 -0.027 0.000 0.893 277 Q CB -0.140 28.577 28.738 -0.034 0.000 0.940 277 Q HN 0.437 nan 8.270 nan 0.000 0.477 278 L N -0.810 120.398 121.223 -0.025 0.000 2.416 278 L HA -0.029 4.311 4.340 0.000 0.000 0.188 278 L C 2.484 179.343 176.870 -0.017 0.000 1.145 278 L CA 0.104 54.931 54.840 -0.022 0.000 0.826 278 L CB -0.916 41.129 42.059 -0.022 0.000 1.064 278 L HN 0.105 nan 8.230 nan 0.000 0.490 279 Q N 1.462 121.252 119.800 -0.016 0.000 2.082 279 Q HA -0.310 4.030 4.340 0.000 0.000 0.211 279 Q C 2.009 178.000 176.000 -0.014 0.000 1.002 279 Q CA 2.928 58.722 55.803 -0.014 0.000 0.868 279 Q CB -0.361 28.370 28.738 -0.013 0.000 0.931 279 Q HN 0.710 nan 8.270 nan 0.000 0.414 280 Q N -0.026 119.765 119.800 -0.014 0.000 1.900 280 Q HA -0.267 4.073 4.340 0.000 0.000 0.219 280 Q C 2.029 178.021 176.000 -0.013 0.000 1.012 280 Q CA 1.917 57.712 55.803 -0.013 0.000 0.876 280 Q CB -0.749 27.980 28.738 -0.014 0.000 0.952 280 Q HN 0.378 nan 8.270 nan 0.000 0.419 281 E N 0.880 121.072 120.200 -0.014 0.000 2.035 281 E HA -0.256 4.094 4.350 0.000 0.000 0.204 281 E C 1.902 178.495 176.600 -0.012 0.000 1.025 281 E CA 1.661 58.053 56.400 -0.013 0.000 0.835 281 E CB -0.532 29.160 29.700 -0.014 0.000 0.764 281 E HN 0.401 nan 8.360 nan 0.000 0.457 282 L N -0.127 121.089 121.223 -0.012 0.000 2.551 282 L HA 0.022 4.362 4.340 0.000 0.000 0.230 282 L C 1.721 178.584 176.870 -0.012 0.000 1.163 282 L CA 1.992 56.825 54.840 -0.012 0.000 0.826 282 L CB -0.665 41.386 42.059 -0.013 0.000 0.943 282 L HN 0.524 nan 8.230 nan 0.000 0.452 283 G N -0.615 108.178 108.800 -0.012 0.000 2.451 283 G HA2 -0.434 3.526 3.960 0.000 0.000 0.253 283 G HA3 -0.434 3.526 3.960 0.000 0.000 0.253 283 G C 0.825 175.718 174.900 -0.013 0.000 1.033 283 G CA 0.900 45.993 45.100 -0.011 0.000 0.633 283 G HN 0.718 nan 8.290 nan 0.000 0.537 284 R N -0.184 120.308 120.500 -0.014 0.000 2.981 284 R HA 0.749 5.089 4.340 0.000 0.000 0.228 284 R C -0.806 175.484 176.300 -0.017 0.000 1.421 284 R CA -0.862 55.228 56.100 -0.016 0.000 1.073 284 R CB 0.839 31.128 30.300 -0.018 0.000 1.568 284 R HN 0.021 nan 8.270 nan 0.000 0.514 285 E N 2.793 122.981 120.200 -0.021 0.000 1.963 285 E HA 0.229 4.579 4.350 0.000 0.000 0.274 285 E C -1.972 174.612 176.600 -0.028 0.000 1.061 285 E CA -1.883 54.504 56.400 -0.022 0.000 0.847 285 E CB 1.111 30.797 29.700 -0.025 0.000 1.083 285 E HN 0.414 nan 8.360 nan 0.000 0.402 286 P HA -0.046 nan 4.420 nan 0.000 0.268 286 P C 0.109 177.396 177.300 -0.022 0.000 1.208 286 P CA 0.027 63.116 63.100 -0.017 0.000 0.777 286 P CB 0.977 32.672 31.700 -0.007 0.000 0.875 287 T N 0.449 114.983 114.554 -0.032 0.000 2.940 287 T HA 0.311 4.661 4.350 0.000 0.000 0.288 287 T C 1.179 175.919 174.700 0.067 0.000 1.045 287 T CA -0.562 61.494 62.100 -0.073 0.000 1.018 287 T CB 0.304 69.035 68.868 -0.229 0.000 1.151 287 T HN 0.398 nan 8.240 nan 0.000 0.529 288 Y N 0.739 121.056 120.300 0.029 0.000 1.891 288 Y HA -0.409 4.141 4.550 0.000 0.000 0.206 288 Y C 2.505 178.433 175.900 0.047 0.000 1.161 288 Y CA 1.810 59.938 58.100 0.047 0.000 0.966 288 Y CB -0.930 37.559 38.460 0.049 0.000 0.784 288 Y HN 0.681 nan 8.280 nan 0.000 0.549 289 E N 0.459 120.802 120.200 0.238 0.000 2.110 289 E HA -0.284 4.066 4.350 0.000 0.000 0.225 289 E C 1.590 178.249 176.600 0.099 0.000 1.063 289 E CA 2.020 58.501 56.400 0.136 0.000 0.906 289 E CB -0.678 29.074 29.700 0.086 0.000 0.795 289 E HN 0.504 nan 8.360 nan 0.000 0.479 290 E N 0.081 120.322 120.200 0.067 0.000 2.045 290 E HA -0.233 4.117 4.350 0.000 0.000 0.212 290 E C 2.052 178.676 176.600 0.040 0.000 1.039 290 E CA 1.618 58.042 56.400 0.040 0.000 0.860 290 E CB -0.552 29.160 29.700 0.020 0.000 0.776 290 E HN 0.342 nan 8.360 nan 0.000 0.467 291 I N 0.582 121.183 120.570 0.052 0.000 2.113 291 I HA -0.238 3.932 4.170 0.000 0.000 0.238 291 I C 2.042 178.177 176.117 0.030 0.000 1.070 291 I CA 1.956 63.269 61.300 0.022 0.000 1.332 291 I CB -1.035 36.986 38.000 0.034 0.000 1.044 291 I HN 0.125 nan 8.210 nan 0.000 0.402 292 A N 0.184 123.078 122.820 0.124 0.000 1.929 292 A HA -0.377 3.943 4.320 0.000 0.000 0.221 292 A C 2.144 179.831 177.584 0.171 0.000 1.211 292 A CA 2.676 54.840 52.037 0.212 0.000 0.657 292 A CB -1.252 17.872 19.000 0.207 0.000 0.827 292 A HN 0.713 nan 8.150 nan 0.000 0.462 293 E N -0.670 119.591 120.200 0.102 0.000 1.998 293 E HA -0.028 4.322 4.350 0.000 0.000 0.196 293 E C 2.456 179.065 176.600 0.016 0.000 1.003 293 E CA 0.928 57.370 56.400 0.069 0.000 0.829 293 E CB -0.472 29.257 29.700 0.048 0.000 0.777 293 E HN 0.597 nan 8.360 nan 0.000 0.460 294 A N 1.358 124.167 122.820 -0.017 0.000 1.923 294 A HA -0.356 3.964 4.320 0.000 0.000 0.222 294 A C 2.207 179.701 177.584 -0.149 0.000 1.258 294 A CA 2.589 54.586 52.037 -0.066 0.000 0.670 294 A CB -0.752 18.208 19.000 -0.067 0.000 0.834 294 A HN 0.249 nan 8.150 nan 0.000 0.470 295 M N -1.786 117.656 119.600 -0.263 0.000 2.082 295 M HA 0.125 4.605 4.480 0.000 0.000 0.258 295 M C 1.266 177.245 176.300 -0.535 0.000 1.071 295 M CA 2.107 57.033 55.300 -0.623 0.000 1.103 295 M CB -1.022 30.843 32.600 -1.225 0.000 1.307 295 M HN 0.971 nan 8.290 nan 0.000 0.409 296 G N -3.161 105.519 108.800 -0.201 0.000 2.347 296 G HA2 0.027 3.987 3.960 0.000 0.000 0.224 296 G HA3 0.027 3.987 3.960 0.000 0.000 0.224 296 G C -2.328 172.849 174.900 0.461 0.000 1.318 296 G CA -0.304 44.873 45.100 0.127 0.000 1.016 296 G HN 0.124 nan 8.290 nan 0.000 0.469 297 P HA -0.079 nan 4.420 nan 0.000 0.222 297 P C 1.117 178.493 177.300 0.126 0.000 1.159 297 P CA 2.746 65.975 63.100 0.216 0.000 0.920 297 P CB -0.156 31.650 31.700 0.176 0.000 0.793 298 G N -1.479 107.321 108.800 0.000 0.000 4.876 298 G HA2 0.379 4.339 3.960 0.000 0.000 0.304 298 G HA3 0.379 4.339 3.960 0.000 0.000 0.304 298 G C -1.411 173.084 174.900 -0.674 0.000 1.396 298 G CA -0.400 44.518 45.100 -0.303 0.000 0.978 298 G HN 0.045 nan 8.290 nan 0.000 0.565 299 W N 1.394 122.689 121.300 -0.007 0.000 2.338 299 W HA 0.437 5.097 4.660 -0.000 0.000 0.315 299 W C -0.480 176.034 176.519 -0.008 0.000 1.005 299 W CA -1.062 56.278 57.345 -0.009 0.000 1.380 299 W CB 1.514 30.973 29.460 -0.001 0.000 1.235 299 W HN 0.100 nan 8.180 nan 0.000 0.409 300 D N 1.524 121.967 120.400 0.072 0.000 2.193 300 D HA 0.424 5.064 4.640 0.000 0.000 0.249 300 D C 1.037 177.365 176.300 0.047 0.000 1.034 300 D CA 0.099 54.124 54.000 0.042 0.000 0.902 300 D CB 2.334 43.113 40.800 -0.034 0.000 1.182 300 D HN 0.390 nan 8.370 nan 0.000 0.436 301 A N 4.316 127.172 122.820 0.060 0.000 1.837 301 A HA -0.271 4.049 4.320 0.000 0.000 0.216 301 A C 1.774 179.197 177.584 -0.269 0.000 1.210 301 A CA 2.695 54.764 52.037 0.054 0.000 0.632 301 A CB -0.654 18.479 19.000 0.222 0.000 0.843 301 A HN 0.688 nan 8.150 nan 0.000 0.448 302 K N 0.765 121.069 120.400 -0.161 0.000 2.293 302 K HA -0.205 4.115 4.320 0.000 0.000 0.204 302 K C 1.778 178.233 176.600 -0.241 0.000 1.045 302 K CA 1.874 58.026 56.287 -0.225 0.000 0.933 302 K CB -0.572 31.884 32.500 -0.073 0.000 0.736 302 K HN 0.614 nan 8.250 nan 0.000 0.463 303 R N 1.301 121.698 120.500 -0.173 0.000 2.078 303 R HA -0.111 4.229 4.340 0.000 0.000 0.224 303 R C 1.785 177.996 176.300 -0.149 0.000 1.149 303 R CA 1.848 57.868 56.100 -0.134 0.000 0.916 303 R CB -0.693 29.539 30.300 -0.114 0.000 0.821 303 R HN 0.018 nan 8.270 nan 0.000 0.434 304 V N 1.701 121.556 119.914 -0.099 0.000 2.258 304 V HA -0.428 3.692 4.120 0.000 0.000 0.259 304 V C 2.364 178.313 176.094 -0.243 0.000 1.076 304 V CA 2.634 64.886 62.300 -0.080 0.000 1.084 304 V CB -1.074 30.680 31.823 -0.115 0.000 0.706 304 V HN 0.638 nan 8.190 nan 0.000 0.461 305 E N -0.252 119.532 120.200 -0.693 0.000 2.063 305 E HA -0.334 4.016 4.350 0.000 0.000 0.221 305 E C 2.210 178.715 176.600 -0.159 0.000 1.052 305 E CA 2.159 58.228 56.400 -0.552 0.000 0.891 305 E CB -0.240 29.069 29.700 -0.651 0.000 0.792 305 E HN 0.666 nan 8.360 nan 0.000 0.482 306 E N -0.111 120.009 120.200 -0.133 0.000 2.147 306 E HA -0.214 4.136 4.350 0.000 0.000 0.199 306 E C 2.199 178.787 176.600 -0.021 0.000 1.005 306 E CA 1.768 58.135 56.400 -0.055 0.000 0.810 306 E CB -0.891 28.776 29.700 -0.055 0.000 0.736 306 E HN 0.428 nan 8.360 nan 0.000 0.460 307 T N 2.731 117.277 114.554 -0.014 0.000 2.569 307 T HA -0.167 4.183 4.350 0.000 0.000 0.263 307 T C 2.221 176.942 174.700 0.034 0.000 1.074 307 T CA 1.904 64.021 62.100 0.029 0.000 1.176 307 T CB -0.691 68.224 68.868 0.077 0.000 0.863 307 T HN 0.169 nan 8.240 nan 0.000 0.410 308 L N 0.957 122.206 121.223 0.043 0.000 2.030 308 L HA -0.283 4.057 4.340 0.000 0.000 0.222 308 L C 2.554 179.451 176.870 0.044 0.000 1.082 308 L CA 1.930 56.803 54.840 0.055 0.000 0.785 308 L CB -1.049 41.062 42.059 0.086 0.000 0.895 308 L HN 0.230 nan 8.230 nan 0.000 0.439 309 K N 0.577 121.001 120.400 0.039 0.000 2.044 309 K HA -0.173 4.147 4.320 0.000 0.000 0.210 309 K C 2.100 178.714 176.600 0.024 0.000 1.049 309 K CA 1.874 58.181 56.287 0.033 0.000 0.927 309 K CB -0.453 32.062 32.500 0.026 0.000 0.713 309 K HN 0.354 nan 8.250 nan 0.000 0.443 310 I N 0.880 121.461 120.570 0.019 0.000 2.394 310 I HA -0.167 4.003 4.170 0.000 0.000 0.251 310 I C 2.021 178.147 176.117 0.015 0.000 1.136 310 I CA 0.642 61.950 61.300 0.013 0.000 1.425 310 I CB -0.293 37.713 38.000 0.010 0.000 1.079 310 I HN 0.108 nan 8.210 nan 0.000 0.425 311 A N 0.198 123.032 122.820 0.023 0.000 2.265 311 A HA 0.044 4.364 4.320 0.000 0.000 0.213 311 A C 0.805 178.402 177.584 0.021 0.000 1.255 311 A CA 0.079 52.129 52.037 0.022 0.000 0.862 311 A CB -0.545 18.473 19.000 0.030 0.000 0.852 311 A HN 0.367 nan 8.150 nan 0.000 0.484 312 Q N -0.251 119.561 119.800 0.021 0.000 2.261 312 Q HA 0.284 4.624 4.340 0.000 0.000 0.252 312 Q C 0.665 176.674 176.000 0.016 0.000 0.915 312 Q CA -0.397 55.419 55.803 0.022 0.000 0.915 312 Q CB 0.915 29.669 28.738 0.027 0.000 1.204 312 Q HN 0.420 nan 8.270 nan 0.000 0.421 313 E N 1.780 121.990 120.200 0.018 0.000 2.132 313 E HA -0.271 4.080 4.350 0.000 0.000 0.218 313 E C -0.925 175.681 176.600 0.009 0.000 1.058 313 E CA 2.367 58.776 56.400 0.015 0.000 0.882 313 E CB -0.813 28.899 29.700 0.020 0.000 0.774 313 E HN 0.636 nan 8.360 nan 0.000 0.467 314 P HA 0.261 nan 4.420 nan 0.000 0.219 314 P C -0.474 176.835 177.300 0.016 0.000 1.149 314 P CA 0.026 63.131 63.100 0.009 0.000 0.755 314 P CB 0.752 32.449 31.700 -0.006 0.000 1.201 315 V N -0.560 119.353 119.914 -0.002 0.000 3.012 315 V HA 0.379 4.499 4.120 0.000 0.000 0.307 315 V C -0.346 175.736 176.094 -0.020 0.000 1.166 315 V CA -0.717 61.588 62.300 0.008 0.000 0.974 315 V CB 1.866 33.702 31.823 0.020 0.000 1.040 315 V HN 0.530 nan 8.190 nan 0.000 0.428 316 S N 2.965 118.682 115.700 0.028 0.000 2.537 316 S HA 0.467 4.937 4.470 0.000 0.000 0.275 316 S C 0.891 175.514 174.600 0.038 0.000 1.272 316 S CA -0.547 57.671 58.200 0.031 0.000 1.050 316 S CB 0.725 63.966 63.200 0.069 0.000 0.961 316 S HN 0.569 nan 8.310 nan 0.000 0.496 317 L N 3.361 124.585 121.223 0.002 0.000 2.240 317 L HA 0.132 4.472 4.340 0.000 0.000 0.211 317 L C 1.617 178.589 176.870 0.171 0.000 1.106 317 L CA 0.703 55.558 54.840 0.025 0.000 0.793 317 L CB -0.508 41.536 42.059 -0.025 0.000 0.927 317 L HN 0.567 nan 8.230 nan 0.000 0.446 318 E N -0.287 119.987 120.200 0.123 0.000 2.485 318 E HA 0.008 4.358 4.350 0.000 0.000 0.194 318 E C 0.240 177.036 176.600 0.327 0.000 1.098 318 E CA 0.067 56.557 56.400 0.149 0.000 0.878 318 E CB -0.244 29.472 29.700 0.026 0.000 0.939 318 E HN 0.186 nan 8.360 nan 0.000 0.503 319 T N 3.274 118.022 114.554 0.323 0.000 2.834 319 T HA 0.124 4.474 4.350 0.000 0.000 0.298 319 T C -2.335 172.545 174.700 0.300 0.000 0.966 319 T CA -1.303 60.972 62.100 0.292 0.000 1.141 319 T CB 0.669 69.700 68.868 0.270 0.000 0.905 319 T HN -0.069 nan 8.240 nan 0.000 0.535 320 P HA 0.189 nan 4.420 nan 0.000 0.271 320 P C -0.234 177.035 177.300 -0.051 0.000 1.216 320 P CA -0.472 62.600 63.100 -0.047 0.000 0.776 320 P CB 0.456 32.131 31.700 -0.041 0.000 0.881 321 I N 1.709 122.208 120.570 -0.118 0.000 3.078 321 I HA 0.179 4.349 4.170 0.000 0.000 0.318 321 I C 2.138 178.182 176.117 -0.121 0.000 1.016 321 I CA -0.344 60.889 61.300 -0.112 0.000 1.130 321 I CB -0.178 37.761 38.000 -0.102 0.000 1.397 321 I HN 0.506 nan 8.210 nan 0.000 0.570 322 G N 0.858 109.575 108.800 -0.139 0.000 2.626 322 G HA2 -0.317 3.643 3.960 0.000 0.000 0.224 322 G HA3 -0.317 3.643 3.960 0.000 0.000 0.224 322 G C 1.228 176.074 174.900 -0.090 0.000 1.095 322 G CA 0.976 46.009 45.100 -0.110 0.000 0.738 322 G HN 0.760 nan 8.290 nan 0.000 0.600 323 D N 0.990 121.334 120.400 -0.093 0.000 2.149 323 D HA -0.119 4.521 4.640 0.000 0.000 0.198 323 D C 1.425 177.680 176.300 -0.075 0.000 0.990 323 D CA 1.186 55.142 54.000 -0.075 0.000 0.839 323 D CB -0.251 40.506 40.800 -0.071 0.000 0.948 323 D HN 0.591 nan 8.370 nan 0.000 0.460 324 E N -1.568 118.576 120.200 -0.093 0.000 2.971 324 E HA -0.284 4.066 4.350 0.000 0.000 0.278 324 E C 0.887 177.443 176.600 -0.074 0.000 1.009 324 E CA 0.986 57.341 56.400 -0.075 0.000 0.862 324 E CB -0.862 28.810 29.700 -0.048 0.000 1.436 324 E HN 0.413 nan 8.360 nan 0.000 0.434 325 K N -0.606 119.731 120.400 -0.105 0.000 2.524 325 K HA 0.046 4.366 4.320 0.000 0.000 0.210 325 K C 0.515 177.045 176.600 -0.117 0.000 1.340 325 K CA 0.728 56.967 56.287 -0.079 0.000 0.880 325 K CB 0.463 32.934 32.500 -0.048 0.000 1.616 325 K HN 0.116 nan 8.250 nan 0.000 0.457 326 D N 0.458 120.745 120.400 -0.189 0.000 2.672 326 D HA 0.022 4.662 4.640 0.000 0.000 0.287 326 D C -0.532 175.490 176.300 -0.462 0.000 1.559 326 D CA -0.314 53.551 54.000 -0.223 0.000 0.796 326 D CB -0.062 40.739 40.800 0.002 0.000 1.181 326 D HN 0.031 nan 8.370 nan 0.000 0.458 327 S N -0.279 115.061 115.700 -0.599 0.000 2.549 327 S HA 0.822 5.292 4.470 0.000 0.000 0.297 327 S C -0.599 173.511 174.600 -0.817 0.000 1.115 327 S CA -0.670 57.299 58.200 -0.385 0.000 1.059 327 S CB 1.043 64.279 63.200 0.059 0.000 1.046 327 S HN 0.081 nan 8.310 nan 0.000 0.506 328 F N 0.465 120.544 119.950 0.215 0.000 2.581 328 F HA 0.410 4.937 4.527 0.000 0.000 0.311 328 F C 0.798 176.837 175.800 0.398 0.000 1.113 328 F CA -1.306 56.833 58.000 0.231 0.000 0.935 328 F CB 0.689 39.756 39.000 0.112 0.000 1.232 328 F HN 0.639 nan 8.300 nan 0.000 0.445 329 Y N 2.450 123.020 120.300 0.449 0.000 2.038 329 Y HA -0.324 4.226 4.550 0.000 0.000 0.266 329 Y C 2.268 178.408 175.900 0.400 0.000 1.220 329 Y CA 2.298 60.659 58.100 0.436 0.000 1.107 329 Y CB -0.849 37.753 38.460 0.236 0.000 0.932 329 Y HN 0.774 nan 8.280 nan 0.000 0.500 330 G N -0.454 108.622 108.800 0.460 0.000 2.503 330 G HA2 -0.318 3.642 3.960 0.000 0.000 0.221 330 G HA3 -0.318 3.642 3.960 0.000 0.000 0.221 330 G C 1.348 176.259 174.900 0.019 0.000 1.131 330 G CA 1.212 46.430 45.100 0.197 0.000 0.756 330 G HN 0.482 nan 8.290 nan 0.000 0.572 331 D N 0.234 120.511 120.400 -0.204 0.000 2.315 331 D HA -0.079 4.561 4.640 0.000 0.000 0.211 331 D C 1.665 177.455 176.300 -0.849 0.000 0.977 331 D CA 0.782 54.414 54.000 -0.613 0.000 0.894 331 D CB -0.224 40.042 40.800 -0.891 0.000 0.910 331 D HN 0.544 nan 8.370 nan 0.000 0.490 332 F N -0.239 119.799 119.950 0.146 0.000 2.694 332 F HA 0.265 4.792 4.527 -0.000 0.000 0.292 332 F C 1.045 176.923 175.800 0.129 0.000 1.121 332 F CA -0.613 57.457 58.000 0.115 0.000 1.352 332 F CB -0.079 38.971 39.000 0.084 0.000 1.107 332 F HN -0.256 nan 8.300 nan 0.000 0.597 333 I N 4.418 125.154 120.570 0.276 0.000 2.587 333 I HA 0.058 4.228 4.170 0.000 0.000 0.284 333 I C -1.797 174.384 176.117 0.107 0.000 1.134 333 I CA -1.321 60.094 61.300 0.192 0.000 1.410 333 I CB 0.008 38.087 38.000 0.132 0.000 1.392 333 I HN -0.081 nan 8.210 nan 0.000 0.545 334 P HA 0.255 nan 4.420 nan 0.000 0.285 334 P C -1.369 175.966 177.300 0.057 0.000 1.280 334 P CA -0.594 62.546 63.100 0.067 0.000 0.862 334 P CB 1.428 33.171 31.700 0.071 0.000 1.153 335 D N 0.387 120.816 120.400 0.049 0.000 2.163 335 D HA 0.070 4.710 4.640 0.000 0.000 0.248 335 D C 0.459 176.794 176.300 0.058 0.000 1.035 335 D CA -0.223 53.810 54.000 0.056 0.000 0.872 335 D CB 1.517 42.349 40.800 0.054 0.000 1.183 335 D HN 0.466 nan 8.370 nan 0.000 0.445 336 E N 2.579 122.823 120.200 0.073 0.000 2.508 336 E HA -0.098 4.252 4.350 0.000 0.000 0.217 336 E C 1.188 177.827 176.600 0.064 0.000 0.896 336 E CA -0.033 56.402 56.400 0.059 0.000 1.118 336 E CB -0.329 29.404 29.700 0.055 0.000 1.133 336 E HN 0.570 nan 8.360 nan 0.000 0.526 337 H N 1.552 120.631 119.070 0.015 0.000 2.457 337 H HA 0.154 4.710 4.556 0.000 0.000 0.294 337 H C 0.400 175.736 175.328 0.013 0.000 1.064 337 H CA 0.999 57.054 56.048 0.013 0.000 1.330 337 H CB 0.139 29.907 29.762 0.010 0.000 1.395 337 H HN -0.014 nan 8.280 nan 0.000 0.541 338 L N 1.960 123.174 121.223 -0.015 0.000 2.307 338 L HA 0.384 4.724 4.340 0.000 0.000 0.284 338 L C -2.129 174.715 176.870 -0.043 0.000 1.023 338 L CA -2.362 52.445 54.840 -0.055 0.000 0.810 338 L CB 1.664 43.741 42.059 0.030 0.000 1.231 338 L HN 0.082 nan 8.230 nan 0.000 0.423 339 P HA 0.054 nan 4.420 nan 0.000 0.271 339 P C -0.380 176.913 177.300 -0.011 0.000 1.216 339 P CA -0.293 62.789 63.100 -0.031 0.000 0.771 339 P CB 0.816 32.496 31.700 -0.033 0.000 0.864 340 S N 3.521 119.219 115.700 -0.004 0.000 2.585 340 S HA 0.171 4.641 4.470 0.000 0.000 0.273 340 S C -1.592 173.009 174.600 0.001 0.000 1.339 340 S CA -0.789 57.412 58.200 0.001 0.000 1.028 340 S CB 0.164 63.366 63.200 0.003 0.000 0.906 340 S HN 0.234 nan 8.310 nan 0.000 0.528 341 P HA -0.165 nan 4.420 nan 0.000 0.218 341 P C 1.501 178.803 177.300 0.005 0.000 1.150 341 P CA 0.866 63.968 63.100 0.004 0.000 0.841 341 P CB -0.111 31.592 31.700 0.004 0.000 0.784 342 V N 0.733 120.649 119.914 0.004 0.000 2.220 342 V HA -0.291 3.829 4.120 0.000 0.000 0.246 342 V C 2.046 178.145 176.094 0.008 0.000 1.049 342 V CA 2.535 64.837 62.300 0.004 0.000 1.003 342 V CB -1.229 30.593 31.823 -0.001 0.000 0.634 342 V HN 0.169 nan 8.190 nan 0.000 0.444 343 D N 0.869 121.273 120.400 0.007 0.000 2.087 343 D HA -0.196 4.444 4.640 0.000 0.000 0.192 343 D C 2.200 178.510 176.300 0.017 0.000 0.993 343 D CA 1.719 55.728 54.000 0.015 0.000 0.828 343 D CB -0.987 39.817 40.800 0.007 0.000 0.968 343 D HN 0.426 nan 8.370 nan 0.000 0.448 344 A N 1.897 124.720 122.820 0.006 0.000 1.894 344 A HA -0.264 4.056 4.320 0.000 0.000 0.220 344 A C 2.477 180.068 177.584 0.012 0.000 1.237 344 A CA 3.666 55.706 52.037 0.004 0.000 0.660 344 A CB -1.310 17.691 19.000 0.001 0.000 0.835 344 A HN 0.347 nan 8.150 nan 0.000 0.461 345 A N -1.665 121.162 122.820 0.013 0.000 1.873 345 A HA -0.144 4.176 4.320 0.000 0.000 0.218 345 A C 2.332 179.932 177.584 0.027 0.000 1.193 345 A CA 2.713 54.760 52.037 0.016 0.000 0.629 345 A CB -1.580 17.428 19.000 0.014 0.000 0.826 345 A HN 0.544 nan 8.150 nan 0.000 0.447 346 T N 0.180 114.756 114.554 0.036 0.000 2.597 346 T HA -0.269 4.081 4.350 0.000 0.000 0.267 346 T C 2.073 176.815 174.700 0.071 0.000 1.053 346 T CA 2.100 64.239 62.100 0.064 0.000 1.165 346 T CB -0.431 68.486 68.868 0.081 0.000 0.863 346 T HN 0.666 nan 8.240 nan 0.000 0.427 347 Q N 1.041 120.875 119.800 0.057 0.000 2.030 347 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 347 Q C 2.768 178.779 176.000 0.018 0.000 0.986 347 Q CA 1.937 57.762 55.803 0.037 0.000 0.843 347 Q CB -0.447 28.305 28.738 0.022 0.000 0.904 347 Q HN 0.679 nan 8.270 nan 0.000 0.420 348 S N 0.977 116.686 115.700 0.015 0.000 2.359 348 S HA -0.226 4.244 4.470 0.000 0.000 0.222 348 S C 1.955 176.562 174.600 0.011 0.000 1.038 348 S CA 1.404 59.610 58.200 0.009 0.000 1.051 348 S CB -0.694 62.511 63.200 0.009 0.000 0.944 348 S HN 0.372 nan 8.310 nan 0.000 0.433 349 L N 1.244 122.479 121.223 0.020 0.000 2.081 349 L HA -0.011 4.329 4.340 0.000 0.000 0.212 349 L C 2.248 179.131 176.870 0.022 0.000 1.080 349 L CA 1.906 56.761 54.840 0.024 0.000 0.754 349 L CB -1.174 40.906 42.059 0.036 0.000 0.893 349 L HN 0.506 nan 8.230 nan 0.000 0.433 350 L N -0.517 120.721 121.223 0.025 0.000 1.948 350 L HA -0.172 4.168 4.340 0.000 0.000 0.212 350 L C 2.508 179.363 176.870 -0.025 0.000 1.074 350 L CA 2.257 57.096 54.840 -0.002 0.000 0.753 350 L CB -1.185 40.866 42.059 -0.014 0.000 0.888 350 L HN 0.334 nan 8.230 nan 0.000 0.432 351 S N -0.309 115.377 115.700 -0.022 0.000 2.434 351 S HA -0.292 4.178 4.470 0.000 0.000 0.243 351 S C 1.512 176.102 174.600 -0.017 0.000 1.045 351 S CA 1.655 59.842 58.200 -0.023 0.000 1.019 351 S CB -0.728 62.464 63.200 -0.013 0.000 0.811 351 S HN 0.598 nan 8.310 nan 0.000 0.485 352 E N 1.082 121.276 120.200 -0.010 0.000 1.994 352 E HA -0.129 4.221 4.350 0.000 0.000 0.197 352 E C 2.125 178.720 176.600 -0.008 0.000 0.982 352 E CA 0.994 57.391 56.400 -0.005 0.000 0.855 352 E CB -0.285 29.416 29.700 0.002 0.000 0.806 352 E HN 0.271 nan 8.360 nan 0.000 0.495 353 E N 1.054 121.249 120.200 -0.008 0.000 2.187 353 E HA -0.210 4.140 4.350 0.000 0.000 0.199 353 E C 1.982 178.570 176.600 -0.020 0.000 1.004 353 E CA 0.768 57.161 56.400 -0.012 0.000 0.813 353 E CB -0.332 29.361 29.700 -0.012 0.000 0.736 353 E HN 0.208 nan 8.360 nan 0.000 0.468 354 L N 0.523 121.727 121.223 -0.031 0.000 1.934 354 L HA -0.329 4.011 4.340 0.000 0.000 0.227 354 L C 2.492 179.349 176.870 -0.021 0.000 1.084 354 L CA 2.277 57.093 54.840 -0.039 0.000 0.790 354 L CB -0.970 41.059 42.059 -0.051 0.000 0.896 354 L HN 0.274 nan 8.230 nan 0.000 0.437 355 E N 0.082 120.274 120.200 -0.014 0.000 2.267 355 E HA -0.245 4.105 4.350 0.000 0.000 0.197 355 E C 1.928 178.531 176.600 0.005 0.000 0.998 355 E CA 1.133 57.531 56.400 -0.003 0.000 0.830 355 E CB -0.270 29.429 29.700 -0.002 0.000 0.751 355 E HN 0.407 nan 8.360 nan 0.000 0.491 356 K N 0.827 121.229 120.400 0.003 0.000 2.015 356 K HA -0.234 4.086 4.320 0.000 0.000 0.216 356 K C 2.360 178.974 176.600 0.023 0.000 1.052 356 K CA 1.758 58.052 56.287 0.011 0.000 0.937 356 K CB -0.373 32.131 32.500 0.006 0.000 0.719 356 K HN 0.269 nan 8.250 nan 0.000 0.446 357 A N 1.609 124.440 122.820 0.019 0.000 1.845 357 A HA -0.175 4.145 4.320 0.000 0.000 0.215 357 A C 2.123 179.737 177.584 0.051 0.000 1.195 357 A CA 1.543 53.607 52.037 0.045 0.000 0.616 357 A CB -0.828 18.180 19.000 0.013 0.000 0.832 357 A HN 0.351 nan 8.150 nan 0.000 0.443 358 L N 1.322 122.562 121.223 0.028 0.000 2.064 358 L HA -0.356 3.984 4.340 0.000 0.000 0.234 358 L C 2.519 179.407 176.870 0.031 0.000 1.103 358 L CA 3.749 58.604 54.840 0.025 0.000 0.824 358 L CB -1.443 40.623 42.059 0.012 0.000 0.919 358 L HN 0.585 nan 8.230 nan 0.000 0.447 359 S N -0.510 115.207 115.700 0.027 0.000 2.377 359 S HA -0.285 4.185 4.470 0.000 0.000 0.224 359 S C 1.517 176.134 174.600 0.028 0.000 1.042 359 S CA 1.566 59.782 58.200 0.026 0.000 1.086 359 S CB -0.961 62.253 63.200 0.022 0.000 0.995 359 S HN 0.521 nan 8.310 nan 0.000 0.428 360 K N 2.041 122.461 120.400 0.034 0.000 2.978 360 K HA 0.496 4.816 4.320 0.000 0.000 0.261 360 K C -0.555 176.061 176.600 0.027 0.000 1.181 360 K CA 0.003 56.307 56.287 0.029 0.000 1.164 360 K CB -0.656 31.865 32.500 0.036 0.000 1.331 360 K HN 0.431 nan 8.250 nan 0.000 0.266 361 L N -1.799 119.439 121.223 0.026 0.000 2.765 361 L HA 0.317 4.657 4.340 0.000 0.000 0.263 361 L C -0.965 175.920 176.870 0.025 0.000 1.068 361 L CA -0.472 54.383 54.840 0.025 0.000 0.903 361 L CB 1.687 43.768 42.059 0.037 0.000 1.512 361 L HN -0.001 nan 8.230 nan 0.000 0.404 362 S N 1.651 117.365 115.700 0.023 0.000 3.452 362 S HA -0.080 4.390 4.470 0.000 0.000 0.410 362 S C 0.986 175.613 174.600 0.045 0.000 1.076 362 S CA 1.004 59.221 58.200 0.029 0.000 1.538 362 S CB -0.609 62.602 63.200 0.020 0.000 1.006 362 S HN 0.717 nan 8.310 nan 0.000 0.576 363 E N 3.906 124.136 120.200 0.050 0.000 1.986 363 E HA -0.294 4.056 4.350 0.000 0.000 0.229 363 E C 1.926 178.580 176.600 0.090 0.000 0.997 363 E CA 1.389 57.824 56.400 0.059 0.000 0.894 363 E CB -0.054 29.678 29.700 0.053 0.000 0.813 363 E HN 0.455 nan 8.360 nan 0.000 0.549 364 R N 0.238 120.817 120.500 0.132 0.000 2.159 364 R HA -0.128 4.212 4.340 0.000 0.000 0.237 364 R C 2.088 178.558 176.300 0.283 0.000 1.131 364 R CA 1.527 57.764 56.100 0.227 0.000 0.982 364 R CB -0.391 30.087 30.300 0.296 0.000 0.868 364 R HN 0.508 nan 8.270 nan 0.000 0.453 365 E N -0.514 119.781 120.200 0.159 0.000 2.385 365 E HA 0.048 4.398 4.350 0.000 0.000 0.194 365 E C 1.610 178.218 176.600 0.015 0.000 1.013 365 E CA 0.554 56.973 56.400 0.031 0.000 0.866 365 E CB 0.228 29.910 29.700 -0.030 0.000 0.832 365 E HN 0.254 nan 8.360 nan 0.000 0.500 366 A N 0.771 123.615 122.820 0.040 0.000 1.943 366 A HA -0.016 4.304 4.320 0.000 0.000 0.213 366 A C 2.053 179.656 177.584 0.031 0.000 1.181 366 A CA 0.521 52.573 52.037 0.026 0.000 0.653 366 A CB -0.165 18.854 19.000 0.031 0.000 0.833 366 A HN 0.077 nan 8.150 nan 0.000 0.451 367 M N 0.393 120.027 119.600 0.056 0.000 2.254 367 M HA -0.084 4.396 4.480 0.000 0.000 0.265 367 M C 2.086 178.426 176.300 0.066 0.000 1.066 367 M CA 1.358 56.694 55.300 0.060 0.000 1.123 367 M CB -0.735 31.912 32.600 0.078 0.000 1.388 367 M HN 0.389 nan 8.290 nan 0.000 0.425 368 V N 0.099 120.068 119.914 0.091 0.000 2.230 368 V HA -0.344 3.776 4.120 0.000 0.000 0.256 368 V C 2.090 178.197 176.094 0.021 0.000 1.064 368 V CA 2.357 64.706 62.300 0.081 0.000 1.050 368 V CB -1.488 30.328 31.823 -0.011 0.000 0.666 368 V HN 0.531 nan 8.190 nan 0.000 0.457 369 L N 1.059 122.276 121.223 -0.011 0.000 2.012 369 L HA -0.211 4.129 4.340 0.000 0.000 0.210 369 L C 2.958 179.809 176.870 -0.031 0.000 1.073 369 L CA 2.841 57.662 54.840 -0.032 0.000 0.748 369 L CB -1.050 40.989 42.059 -0.033 0.000 0.891 369 L HN 0.615 nan 8.230 nan 0.000 0.431 370 K N 1.038 121.429 120.400 -0.015 0.000 2.001 370 K HA -0.154 4.166 4.320 0.000 0.000 0.208 370 K C 2.091 178.686 176.600 -0.009 0.000 1.048 370 K CA 1.390 57.668 56.287 -0.015 0.000 0.932 370 K CB -0.701 31.796 32.500 -0.005 0.000 0.715 370 K HN 0.179 nan 8.250 nan 0.000 0.437 371 L N 0.706 121.937 121.223 0.013 0.000 2.137 371 L HA -0.210 4.130 4.340 0.000 0.000 0.213 371 L C 2.914 179.786 176.870 0.003 0.000 1.085 371 L CA 1.204 56.059 54.840 0.025 0.000 0.760 371 L CB -0.488 41.609 42.059 0.064 0.000 0.893 371 L HN 0.286 nan 8.230 nan 0.000 0.434 372 R N 1.120 121.605 120.500 -0.024 0.000 2.056 372 R HA -0.114 4.226 4.340 0.000 0.000 0.220 372 R C 2.263 178.501 176.300 -0.103 0.000 1.187 372 R CA 2.088 58.142 56.100 -0.076 0.000 0.932 372 R CB -0.332 29.897 30.300 -0.118 0.000 0.821 372 R HN 0.408 nan 8.270 nan 0.000 0.449 373 K N -1.633 118.699 120.400 -0.114 0.000 2.242 373 K HA 0.157 4.477 4.320 0.000 0.000 0.200 373 K C 1.927 178.495 176.600 -0.054 0.000 1.050 373 K CA 1.050 57.277 56.287 -0.099 0.000 0.981 373 K CB -0.346 32.090 32.500 -0.106 0.000 0.795 373 K HN 0.233 nan 8.250 nan 0.000 0.477 374 G N 1.562 110.335 108.800 -0.045 0.000 2.470 374 G HA2 -0.112 3.848 3.960 0.000 0.000 0.220 374 G HA3 -0.112 3.848 3.960 0.000 0.000 0.220 374 G C 1.405 176.293 174.900 -0.020 0.000 1.121 374 G CA 0.618 45.700 45.100 -0.030 0.000 0.766 374 G HN 0.214 nan 8.290 nan 0.000 0.553 375 L N -1.358 119.855 121.223 -0.017 0.000 2.537 375 L HA 0.421 4.761 4.340 0.000 0.000 0.224 375 L C 1.986 178.853 176.870 -0.005 0.000 1.065 375 L CA 0.247 55.084 54.840 -0.006 0.000 0.860 375 L CB 0.170 42.232 42.059 0.005 0.000 1.086 375 L HN 0.192 nan 8.230 nan 0.000 0.482 376 I N -1.907 118.654 120.570 -0.015 0.000 3.481 376 I HA 0.240 4.410 4.170 0.000 0.000 0.267 376 I C -0.720 175.385 176.117 -0.019 0.000 1.044 376 I CA -0.187 61.107 61.300 -0.010 0.000 1.902 376 I CB 1.056 39.054 38.000 -0.003 0.000 1.680 376 I HN -0.088 nan 8.210 nan 0.000 0.426 377 D N -0.724 119.649 120.400 -0.045 0.000 2.734 377 D HA 0.462 5.102 4.640 0.000 0.000 0.224 377 D C -0.721 175.470 176.300 -0.181 0.000 1.222 377 D CA 0.617 54.583 54.000 -0.058 0.000 0.761 377 D CB 1.809 42.610 40.800 0.002 0.000 1.569 377 D HN 0.636 nan 8.370 nan 0.000 0.477 378 G N 2.546 111.200 108.800 -0.242 0.000 2.531 378 G HA2 -0.170 3.790 3.960 0.000 0.000 0.283 378 G HA3 -0.170 3.790 3.960 0.000 0.000 0.283 378 G C -0.148 174.194 174.900 -0.931 0.000 1.068 378 G CA 0.167 44.813 45.100 -0.757 0.000 1.273 378 G HN 0.423 nan 8.290 nan 0.000 0.532 379 R N 1.593 121.881 120.500 -0.354 0.000 2.543 379 R HA 0.378 4.718 4.340 0.000 0.000 0.277 379 R C 0.837 177.074 176.300 -0.105 0.000 1.074 379 R CA 0.625 56.604 56.100 -0.203 0.000 1.076 379 R CB 0.104 30.344 30.300 -0.101 0.000 0.993 379 R HN 0.779 nan 8.270 nan 0.000 0.459 380 E N 1.979 122.146 120.200 -0.054 0.000 2.442 380 E HA -0.224 4.126 4.350 0.000 0.000 0.256 380 E C -0.806 175.876 176.600 0.137 0.000 1.095 380 E CA 0.566 56.979 56.400 0.022 0.000 0.747 380 E CB -1.263 28.449 29.700 0.019 0.000 1.310 380 E HN 0.758 nan 8.360 nan 0.000 0.396 381 H N -0.333 118.720 119.070 -0.029 0.000 2.727 381 H HA 0.063 4.619 4.556 0.000 0.000 0.312 381 H C 1.595 176.902 175.328 -0.035 0.000 1.204 381 H CA 0.085 56.116 56.048 -0.028 0.000 1.122 381 H CB 0.303 30.048 29.762 -0.028 0.000 1.453 381 H HN 0.214 nan 8.280 nan 0.000 0.514 382 T N 0.964 115.562 114.554 0.073 0.000 2.412 382 T HA -0.337 4.013 4.350 0.000 0.000 0.228 382 T C 1.958 176.660 174.700 0.004 0.000 1.426 382 T CA 1.521 63.630 62.100 0.015 0.000 1.096 382 T CB -0.433 68.434 68.868 -0.001 0.000 0.834 382 T HN 0.452 nan 8.240 nan 0.000 0.439 383 L N 1.031 122.252 121.223 -0.003 0.000 2.556 383 L HA -0.139 4.201 4.340 0.000 0.000 0.230 383 L C 2.521 179.383 176.870 -0.012 0.000 1.163 383 L CA 1.204 56.036 54.840 -0.013 0.000 0.819 383 L CB -0.497 41.549 42.059 -0.022 0.000 0.939 383 L HN 0.492 nan 8.230 nan 0.000 0.452 384 E N -0.681 119.521 120.200 0.003 0.000 2.134 384 E HA -0.068 4.282 4.350 0.000 0.000 0.194 384 E C 1.637 178.220 176.600 -0.027 0.000 0.937 384 E CA 0.097 56.496 56.400 -0.001 0.000 0.874 384 E CB -0.056 29.676 29.700 0.054 0.000 0.853 384 E HN 0.431 nan 8.360 nan 0.000 0.471 385 E N 1.568 121.768 120.200 0.000 0.000 2.394 385 E HA -0.200 4.150 4.350 0.000 0.000 0.202 385 E C 2.282 178.869 176.600 -0.022 0.000 1.029 385 E CA 1.391 57.777 56.400 -0.022 0.000 0.855 385 E CB -0.443 29.249 29.700 -0.013 0.000 0.770 385 E HN 0.227 nan 8.360 nan 0.000 0.527 386 V N -1.671 118.229 119.914 -0.023 0.000 2.255 386 V HA -0.031 4.089 4.120 0.000 0.000 0.243 386 V C 2.214 178.308 176.094 -0.000 0.000 1.038 386 V CA 1.914 64.213 62.300 -0.001 0.000 1.008 386 V CB -1.175 30.645 31.823 -0.005 0.000 0.645 386 V HN 0.190 nan 8.190 nan 0.000 0.449 387 G N -0.899 107.864 108.800 -0.062 0.000 2.813 387 G HA2 0.242 4.202 3.960 0.000 0.000 0.209 387 G HA3 0.242 4.202 3.960 0.000 0.000 0.209 387 G C 1.479 176.125 174.900 -0.423 0.000 1.150 387 G CA 0.711 45.740 45.100 -0.118 0.000 0.785 387 G HN 0.881 nan 8.290 nan 0.000 0.535 388 A N 0.029 122.612 122.820 -0.396 0.000 2.072 388 A HA 0.304 4.624 4.320 0.000 0.000 0.216 388 A C 1.677 178.791 177.584 -0.784 0.000 1.156 388 A CA 0.421 52.069 52.037 -0.648 0.000 0.701 388 A CB -0.244 18.610 19.000 -0.244 0.000 0.816 388 A HN 0.309 nan 8.150 nan 0.000 0.458 389 F N -1.205 118.475 119.950 -0.449 0.000 2.765 389 F HA 0.289 4.816 4.527 0.000 0.000 0.302 389 F C -0.070 175.778 175.800 0.079 0.000 1.111 389 F CA -0.933 57.000 58.000 -0.111 0.000 1.359 389 F CB -0.283 38.700 39.000 -0.028 0.000 1.097 389 F HN 0.221 nan 8.300 nan 0.000 0.577 390 F N -1.149 118.844 119.950 0.073 0.000 3.093 390 F HA -0.299 4.228 4.527 0.000 0.000 0.283 390 F C 1.200 177.025 175.800 0.041 0.000 0.848 390 F CA 0.548 58.558 58.000 0.018 0.000 1.059 390 F CB -1.672 37.297 39.000 -0.051 0.000 1.191 390 F HN 0.145 nan 8.300 nan 0.000 0.514 391 G N -1.086 107.844 108.800 0.217 0.000 3.409 391 G HA2 0.421 4.381 3.960 0.000 0.000 0.168 391 G HA3 0.421 4.381 3.960 0.000 0.000 0.168 391 G C -0.247 174.754 174.900 0.168 0.000 1.403 391 G CA 0.074 45.296 45.100 0.203 0.000 1.195 391 G HN 0.130 nan 8.290 nan 0.000 0.751 392 V N 2.424 122.461 119.914 0.206 0.000 2.975 392 V HA 0.180 4.300 4.120 0.000 0.000 0.300 392 V C 1.009 177.128 176.094 0.042 0.000 1.186 392 V CA 0.508 62.864 62.300 0.095 0.000 1.311 392 V CB 0.709 32.556 31.823 0.041 0.000 0.917 392 V HN 0.530 nan 8.190 nan 0.000 0.512 393 T N 4.860 119.424 114.554 0.016 0.000 2.868 393 T HA 0.191 4.541 4.350 0.000 0.000 0.292 393 T C 1.452 176.140 174.700 -0.019 0.000 1.028 393 T CA -0.054 62.046 62.100 0.001 0.000 1.059 393 T CB 0.696 69.565 68.868 0.002 0.000 0.991 393 T HN 0.851 nan 8.240 nan 0.000 0.531 394 R N 1.625 122.113 120.500 -0.019 0.000 2.103 394 R HA -0.174 4.166 4.340 0.000 0.000 0.242 394 R C 1.948 178.230 176.300 -0.030 0.000 1.142 394 R CA 1.587 57.670 56.100 -0.027 0.000 0.960 394 R CB -0.451 29.837 30.300 -0.019 0.000 0.858 394 R HN 0.624 nan 8.270 nan 0.000 0.439 395 E N 1.766 121.953 120.200 -0.023 0.000 2.068 395 E HA -0.306 4.044 4.350 0.000 0.000 0.207 395 E C 2.072 178.654 176.600 -0.031 0.000 1.032 395 E CA 2.172 58.559 56.400 -0.023 0.000 0.839 395 E CB -0.289 29.402 29.700 -0.016 0.000 0.758 395 E HN 0.510 nan 8.360 nan 0.000 0.457 396 R N 0.125 120.603 120.500 -0.036 0.000 2.096 396 R HA -0.100 4.240 4.340 0.000 0.000 0.235 396 R C 2.791 179.050 176.300 -0.070 0.000 1.127 396 R CA 1.424 57.495 56.100 -0.048 0.000 0.968 396 R CB -0.354 29.917 30.300 -0.049 0.000 0.861 396 R HN 0.264 nan 8.270 nan 0.000 0.440 397 I N 1.076 121.598 120.570 -0.081 0.000 2.091 397 I HA -0.441 3.729 4.170 0.000 0.000 0.240 397 I C 2.776 178.849 176.117 -0.074 0.000 1.046 397 I CA 1.722 62.963 61.300 -0.098 0.000 1.306 397 I CB -0.648 37.302 38.000 -0.083 0.000 1.018 397 I HN 0.337 nan 8.210 nan 0.000 0.404 398 R N 1.569 122.037 120.500 -0.052 0.000 2.206 398 R HA -0.306 4.034 4.340 0.000 0.000 0.240 398 R C 2.079 178.352 176.300 -0.046 0.000 1.117 398 R CA 2.664 58.739 56.100 -0.042 0.000 0.915 398 R CB -1.094 29.186 30.300 -0.033 0.000 0.888 398 R HN 0.524 nan 8.270 nan 0.000 0.432 399 Q N 0.200 119.973 119.800 -0.046 0.000 1.978 399 Q HA -0.231 4.109 4.340 0.000 0.000 0.211 399 Q C 2.426 178.395 176.000 -0.051 0.000 1.013 399 Q CA 2.617 58.394 55.803 -0.044 0.000 0.869 399 Q CB -0.514 28.198 28.738 -0.043 0.000 0.953 399 Q HN 0.482 nan 8.270 nan 0.000 0.415 400 I N 0.689 121.218 120.570 -0.068 0.000 2.093 400 I HA -0.421 3.749 4.170 0.000 0.000 0.239 400 I C 2.581 178.661 176.117 -0.062 0.000 1.026 400 I CA 1.995 63.248 61.300 -0.078 0.000 1.295 400 I CB -0.672 37.254 38.000 -0.124 0.000 1.007 400 I HN 0.396 nan 8.210 nan 0.000 0.401 401 E N 1.471 121.634 120.200 -0.063 0.000 2.072 401 E HA -0.313 4.037 4.350 0.000 0.000 0.218 401 E C 1.652 178.229 176.600 -0.037 0.000 1.051 401 E CA 2.438 58.810 56.400 -0.048 0.000 0.880 401 E CB -0.225 29.449 29.700 -0.043 0.000 0.783 401 E HN 0.536 nan 8.360 nan 0.000 0.473 402 N N 0.180 118.857 118.700 -0.038 0.000 2.029 402 N HA -0.275 4.465 4.740 0.000 0.000 0.176 402 N C 1.735 177.226 175.510 -0.032 0.000 0.930 402 N CA 1.600 54.629 53.050 -0.036 0.000 0.884 402 N CB -0.325 38.139 38.487 -0.038 0.000 1.015 402 N HN 0.061 nan 8.380 nan 0.000 0.848 403 K N 0.814 121.195 120.400 -0.032 0.000 2.077 403 K HA -0.228 4.092 4.320 0.000 0.000 0.213 403 K C 2.079 178.672 176.600 -0.012 0.000 1.051 403 K CA 1.487 57.760 56.287 -0.023 0.000 0.929 403 K CB -0.984 31.502 32.500 -0.023 0.000 0.715 403 K HN 0.378 nan 8.250 nan 0.000 0.451 404 A N 1.818 124.628 122.820 -0.017 0.000 1.885 404 A HA -0.244 4.076 4.320 0.000 0.000 0.215 404 A C 2.396 179.984 177.584 0.007 0.000 1.255 404 A CA 2.386 54.419 52.037 -0.007 0.000 0.692 404 A CB -1.183 17.804 19.000 -0.021 0.000 0.842 404 A HN 0.267 nan 8.150 nan 0.000 0.465 405 L N -1.277 119.944 121.223 -0.002 0.000 1.963 405 L HA -0.315 4.025 4.340 0.000 0.000 0.220 405 L C 2.776 179.657 176.870 0.018 0.000 1.076 405 L CA 2.246 57.089 54.840 0.005 0.000 0.772 405 L CB -1.104 40.951 42.059 -0.007 0.000 0.892 405 L HN 0.407 nan 8.230 nan 0.000 0.435 406 R N 0.409 120.907 120.500 -0.003 0.000 2.179 406 R HA -0.214 4.126 4.340 0.000 0.000 0.238 406 R C 2.385 178.707 176.300 0.035 0.000 1.119 406 R CA 1.821 57.911 56.100 -0.015 0.000 0.915 406 R CB -0.575 29.693 30.300 -0.053 0.000 0.870 406 R HN 0.254 nan 8.270 nan 0.000 0.432 407 K N 0.664 121.086 120.400 0.036 0.000 2.144 407 K HA -0.207 4.113 4.320 0.000 0.000 0.209 407 K C 1.988 178.677 176.600 0.147 0.000 1.047 407 K CA 1.170 57.503 56.287 0.076 0.000 0.927 407 K CB -0.604 31.923 32.500 0.044 0.000 0.716 407 K HN 0.124 nan 8.250 nan 0.000 0.454 408 L N 1.853 123.151 121.223 0.125 0.000 1.909 408 L HA -0.215 4.125 4.340 0.000 0.000 0.216 408 L C 2.147 179.088 176.870 0.119 0.000 1.097 408 L CA 2.276 57.206 54.840 0.149 0.000 0.777 408 L CB -1.147 40.960 42.059 0.079 0.000 0.887 408 L HN 0.172 nan 8.230 nan 0.000 0.432 409 K N -0.856 119.593 120.400 0.083 0.000 2.081 409 K HA -0.355 3.965 4.320 0.000 0.000 0.222 409 K C 2.004 178.689 176.600 0.140 0.000 1.055 409 K CA 2.782 59.121 56.287 0.085 0.000 0.954 409 K CB -1.944 30.624 32.500 0.112 0.000 0.732 409 K HN 0.426 nan 8.250 nan 0.000 0.458 410 Y N 1.130 121.441 120.300 0.019 0.000 2.333 410 Y HA -0.186 4.364 4.550 0.000 0.000 0.290 410 Y C 2.680 178.621 175.900 0.068 0.000 1.144 410 Y CA 1.533 59.652 58.100 0.032 0.000 1.228 410 Y CB -0.509 37.972 38.460 0.036 0.000 0.985 410 Y HN 0.505 nan 8.280 nan 0.000 0.542 411 H N -0.813 118.326 119.070 0.115 0.000 2.372 411 H HA -0.050 4.506 4.556 0.000 0.000 0.301 411 H C 1.041 176.376 175.328 0.011 0.000 1.065 411 H CA 1.147 57.224 56.048 0.048 0.000 1.364 411 H CB 0.212 30.002 29.762 0.047 0.000 1.406 411 H HN 0.097 nan 8.280 nan 0.000 0.521 412 E N 1.067 121.052 120.200 -0.360 0.000 2.461 412 E HA 0.003 4.353 4.350 0.000 0.000 0.196 412 E C 1.354 177.846 176.600 -0.180 0.000 1.129 412 E CA 0.076 56.242 56.400 -0.390 0.000 0.902 412 E CB 0.266 29.794 29.700 -0.287 0.000 0.963 412 E HN 0.429 nan 8.360 nan 0.000 0.503 413 S N 0.095 115.711 115.700 -0.140 0.000 2.503 413 S HA 0.059 4.529 4.470 0.000 0.000 0.217 413 S C 1.579 176.110 174.600 -0.115 0.000 0.999 413 S CA 0.028 58.136 58.200 -0.154 0.000 0.914 413 S CB 0.499 63.520 63.200 -0.298 0.000 0.782 413 S HN 0.169 nan 8.310 nan 0.000 0.520 414 R N 1.692 122.144 120.500 -0.079 0.000 2.023 414 R HA 0.162 4.502 4.340 0.000 0.000 0.217 414 R C 0.653 176.928 176.300 -0.041 0.000 1.255 414 R CA 0.770 56.852 56.100 -0.031 0.000 0.981 414 R CB -1.704 28.625 30.300 0.048 0.000 0.853 414 R HN 0.132 nan 8.270 nan 0.000 0.463 415 T N 4.416 118.938 114.554 -0.052 0.000 3.162 415 T HA 0.124 4.474 4.350 0.000 0.000 0.264 415 T C 0.235 174.884 174.700 -0.086 0.000 0.959 415 T CA -0.060 62.007 62.100 -0.054 0.000 1.118 415 T CB -0.041 68.804 68.868 -0.038 0.000 0.979 415 T HN -0.082 nan 8.240 nan 0.000 0.679 416 R N 3.570 124.036 120.500 -0.057 0.000 2.343 416 R HA 0.274 4.614 4.340 0.000 0.000 0.326 416 R C 0.724 177.004 176.300 -0.033 0.000 1.055 416 R CA 0.178 56.249 56.100 -0.049 0.000 0.961 416 R CB 0.523 30.802 30.300 -0.035 0.000 0.978 416 R HN 0.674 nan 8.270 nan 0.000 0.443 417 K N 1.482 121.862 120.400 -0.034 0.000 2.830 417 K HA 0.142 4.462 4.320 0.000 0.000 0.250 417 K C 1.342 177.946 176.600 0.006 0.000 1.395 417 K CA -0.246 56.031 56.287 -0.015 0.000 0.886 417 K CB -0.137 32.347 32.500 -0.027 0.000 1.889 417 K HN 0.060 nan 8.250 nan 0.000 0.368 418 L N 2.429 123.650 121.223 -0.003 0.000 2.651 418 L HA -0.008 4.332 4.340 0.000 0.000 0.236 418 L C 1.905 178.809 176.870 0.057 0.000 1.173 418 L CA 0.975 55.826 54.840 0.018 0.000 0.843 418 L CB -0.760 41.276 42.059 -0.038 0.000 0.964 418 L HN 0.131 nan 8.230 nan 0.000 0.454 419 R N 0.994 121.513 120.500 0.031 0.000 2.237 419 R HA -0.077 4.263 4.340 0.000 0.000 0.219 419 R C 0.619 176.955 176.300 0.059 0.000 1.080 419 R CA 0.946 57.067 56.100 0.034 0.000 0.995 419 R CB -0.499 29.801 30.300 0.001 0.000 0.875 419 R HN 0.420 nan 8.270 nan 0.000 0.462 420 D N -0.477 119.967 120.400 0.072 0.000 2.706 420 D HA 0.002 4.642 4.640 0.000 0.000 0.236 420 D C 0.256 176.617 176.300 0.101 0.000 1.231 420 D CA 0.003 54.041 54.000 0.063 0.000 0.828 420 D CB -0.104 40.719 40.800 0.039 0.000 1.015 420 D HN 0.148 nan 8.370 nan 0.000 0.484 421 F N 0.917 120.861 119.950 -0.010 0.000 2.480 421 F HA 0.226 4.753 4.527 0.000 0.000 0.212 421 F C 0.712 176.509 175.800 -0.006 0.000 1.113 421 F CA -0.256 57.739 58.000 -0.008 0.000 0.970 421 F CB -0.220 38.776 39.000 -0.008 0.000 1.177 421 F HN -0.230 nan 8.300 nan 0.000 0.663 422 L N 0.000 121.343 121.223 0.200 0.000 2.949 422 L HA 0.000 4.340 4.340 0.000 0.000 0.249 422 L CA 0.000 54.885 54.840 0.075 0.000 0.813 422 L CB 0.000 42.128 42.059 0.114 0.000 0.961 422 L HN 0.000 nan 8.230 nan 0.000 0.502