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 2qvh_1_B DATA FIRST_RESID 2 DATA SEQUENCE SLTGRAFAIP LRTRFRGITV REGXLVRGAA GWGEFSPFAE YGPRECARWW DATA SEQUENCE AACYEAAELG WPAPVRDTVP VNATVPAVGP EEAARIVASS GCTTAKVKVA DATA SEQUENCE ERGQSEANDV ARVEAVRDAL GPRGRVRIDV NGAWDVDTAV RXIRLLDRFE DATA SEQUENCE LEYVEQPCAT VDELAEVRRR VSVPIAADES IRRAEDPLRV RDAEAADVVV DATA SEQUENCE LKVQPLGGVR AALRLAEECG LPVVVSSAVE TSVGLAAGVA LAAALPELPY DATA SEQUENCE ACGLATLRLL HADVCDDPLL PVHGVLPVRR VDVSEQRLAE VEIDPAAWQA DATA SEQUENCE RLAAARAAWE Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.648 174.600 0.079 0.000 1.055 2 S CA 0.000 58.244 58.200 0.073 0.000 1.107 2 S CB 0.000 63.240 63.200 0.066 0.000 0.593 3 L N 1.435 122.696 121.223 0.064 0.000 2.307 3 L HA 0.211 4.550 4.340 -0.000 0.000 0.211 3 L C 2.404 179.312 176.870 0.063 0.000 1.099 3 L CA 1.944 56.820 54.840 0.060 0.000 0.816 3 L CB -2.336 39.746 42.059 0.038 0.000 0.952 3 L HN 1.065 nan 8.230 nan 0.000 0.455 4 T N -2.212 112.379 114.554 0.062 0.000 3.535 4 T HA 0.227 4.577 4.350 -0.000 0.000 0.223 4 T C 1.085 175.850 174.700 0.109 0.000 0.933 4 T CA 0.340 62.471 62.100 0.051 0.000 1.445 4 T CB -0.772 68.118 68.868 0.037 0.000 1.286 4 T HN 0.149 nan 8.240 nan 0.000 0.436 5 G N 2.019 110.890 108.800 0.118 0.000 2.355 5 G HA2 0.574 4.534 3.960 -0.000 0.000 0.276 5 G HA3 0.574 4.534 3.960 -0.000 0.000 0.276 5 G C -0.764 174.233 174.900 0.162 0.000 1.198 5 G CA -0.734 44.464 45.100 0.163 0.000 0.876 5 G HN 0.551 nan 8.290 nan 0.000 0.478 6 R N 1.333 121.952 120.500 0.198 0.000 2.561 6 R HA 0.594 4.934 4.340 -0.000 0.000 0.297 6 R C -0.197 176.163 176.300 0.099 0.000 0.969 6 R CA -0.645 55.547 56.100 0.154 0.000 0.879 6 R CB 2.290 32.697 30.300 0.178 0.000 1.178 6 R HN 0.621 nan 8.270 nan 0.000 0.445 7 A N 3.337 126.170 122.820 0.020 0.000 2.310 7 A HA 0.680 4.999 4.320 -0.000 0.000 0.299 7 A C -0.603 176.923 177.584 -0.098 0.000 1.147 7 A CA -0.409 51.517 52.037 -0.185 0.000 0.818 7 A CB 0.224 19.138 19.000 -0.143 0.000 1.096 7 A HN 0.643 nan 8.150 nan 0.000 0.495 8 F N -0.678 119.140 119.950 -0.219 0.000 2.603 8 F HA 0.854 5.380 4.527 -0.001 0.000 0.317 8 F C -0.219 175.509 175.800 -0.119 0.000 1.066 8 F CA -1.301 56.618 58.000 -0.135 0.000 0.941 8 F CB 1.806 40.726 39.000 -0.134 0.000 1.291 8 F HN 0.716 nan 8.300 nan 0.000 0.472 9 A N 3.226 126.174 122.820 0.213 0.000 2.499 9 A HA 0.742 5.062 4.320 -0.000 0.000 0.280 9 A C -1.451 176.255 177.584 0.204 0.000 1.135 9 A CA -0.439 51.692 52.037 0.156 0.000 0.744 9 A CB 0.277 19.329 19.000 0.087 0.000 1.213 9 A HN 0.762 nan 8.150 nan 0.000 0.434 10 I N 4.590 125.307 120.570 0.244 0.000 2.389 10 I HA 0.361 4.530 4.170 -0.000 0.000 0.288 10 I C -2.228 173.970 176.117 0.135 0.000 0.999 10 I CA -2.340 59.056 61.300 0.161 0.000 1.129 10 I CB 2.545 40.609 38.000 0.107 0.000 1.288 10 I HN 0.422 nan 8.210 nan 0.000 0.444 11 P HA 0.143 nan 4.420 nan 0.000 0.271 11 P C -0.837 176.526 177.300 0.106 0.000 1.216 11 P CA -0.337 62.809 63.100 0.077 0.000 0.776 11 P CB 1.090 32.789 31.700 -0.002 0.000 0.881 12 L N 3.727 125.006 121.223 0.093 0.000 2.399 12 L HA 0.304 4.644 4.340 -0.000 0.000 0.266 12 L C 2.139 179.057 176.870 0.080 0.000 1.114 12 L CA 0.008 54.905 54.840 0.096 0.000 0.804 12 L CB 0.186 42.310 42.059 0.109 0.000 1.146 12 L HN 0.313 nan 8.230 nan 0.000 0.451 13 R N -0.429 120.117 120.500 0.077 0.000 2.148 13 R HA 0.043 4.383 4.340 -0.000 0.000 0.223 13 R C 0.191 176.518 176.300 0.046 0.000 1.088 13 R CA 0.824 56.966 56.100 0.069 0.000 0.985 13 R CB 0.042 30.375 30.300 0.056 0.000 0.880 13 R HN 0.670 nan 8.270 nan 0.000 0.451 14 T N -0.673 113.911 114.554 0.050 0.000 2.889 14 T HA 0.232 4.581 4.350 -0.000 0.000 0.315 14 T C -1.406 173.353 174.700 0.098 0.000 1.291 14 T CA -0.855 61.280 62.100 0.058 0.000 1.028 14 T CB 1.601 70.497 68.868 0.046 0.000 1.235 14 T HN 0.071 nan 8.240 nan 0.000 0.491 15 R N 2.341 122.898 120.500 0.094 0.000 2.538 15 R HA 0.448 4.788 4.340 -0.000 0.000 0.282 15 R C -1.302 175.121 176.300 0.204 0.000 1.009 15 R CA 0.194 56.361 56.100 0.112 0.000 1.063 15 R CB 0.034 30.370 30.300 0.060 0.000 0.945 15 R HN 0.506 nan 8.270 nan 0.000 0.414 16 F N 3.835 123.786 119.950 0.001 0.000 2.596 16 F HA 0.282 4.808 4.527 -0.002 0.000 0.311 16 F C -0.122 175.655 175.800 -0.039 0.000 1.116 16 F CA -0.895 57.100 58.000 -0.010 0.000 0.957 16 F CB 1.187 40.195 39.000 0.014 0.000 1.250 16 F HN 0.724 nan 8.300 nan 0.000 0.444 17 R N 3.929 124.017 120.500 -0.687 0.000 3.516 17 R HA -0.201 4.139 4.340 -0.000 0.000 0.271 17 R C 0.875 176.987 176.300 -0.314 0.000 1.098 17 R CA 1.207 56.969 56.100 -0.563 0.000 0.732 17 R CB -1.624 28.314 30.300 -0.603 0.000 1.152 17 R HN 1.942 nan 8.270 nan 0.000 0.455 18 G N -0.509 108.171 108.800 -0.199 0.000 2.189 18 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.267 18 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.267 18 G C 0.284 175.147 174.900 -0.061 0.000 0.975 18 G CA 0.768 45.796 45.100 -0.121 0.000 0.644 18 G HN 0.788 nan 8.290 nan 0.000 0.537 19 I N -3.106 117.450 120.570 -0.022 0.000 2.797 19 I HA 0.875 5.045 4.170 -0.000 0.000 0.307 19 I C 0.931 177.098 176.117 0.083 0.000 1.033 19 I CA -0.357 60.969 61.300 0.044 0.000 1.071 19 I CB 2.205 40.266 38.000 0.103 0.000 1.255 19 I HN 0.126 nan 8.210 nan 0.000 0.445 20 T N -0.101 114.501 114.554 0.079 0.000 3.058 20 T HA 0.429 4.778 4.350 -0.000 0.000 0.278 20 T C 0.086 174.837 174.700 0.086 0.000 0.974 20 T CA -0.171 61.975 62.100 0.078 0.000 0.893 20 T CB -0.059 68.837 68.868 0.047 0.000 1.138 20 T HN 0.420 nan 8.240 nan 0.000 0.529 21 V N 1.094 121.071 119.914 0.106 0.000 2.733 21 V HA 0.665 4.785 4.120 -0.000 0.000 0.306 21 V C -1.024 175.163 176.094 0.155 0.000 1.084 21 V CA -1.142 61.227 62.300 0.115 0.000 0.905 21 V CB 2.253 34.130 31.823 0.090 0.000 1.010 21 V HN 0.210 nan 8.190 nan 0.000 0.424 22 R N 2.694 123.301 120.500 0.180 0.000 2.229 22 R HA 0.571 4.911 4.340 -0.000 0.000 0.332 22 R C -0.338 176.079 176.300 0.194 0.000 0.989 22 R CA -0.026 56.203 56.100 0.215 0.000 0.842 22 R CB 0.843 31.293 30.300 0.250 0.000 1.119 22 R HN 0.821 nan 8.270 nan 0.000 0.456 23 E N 1.648 121.865 120.200 0.028 0.000 2.221 23 E HA 0.750 5.100 4.350 -0.000 0.000 0.268 23 E C -0.477 175.586 176.600 -0.895 0.000 0.933 23 E CA -0.897 55.317 56.400 -0.311 0.000 0.809 23 E CB 2.042 31.796 29.700 0.090 0.000 1.190 23 E HN 0.786 nan 8.360 nan 0.000 0.406 27 V N 1.771 121.958 119.914 0.455 0.000 2.588 27 V HA 0.570 4.690 4.120 -0.000 0.000 0.304 27 V C -0.368 175.724 176.094 -0.003 0.000 1.042 27 V CA -0.642 61.811 62.300 0.256 0.000 0.877 27 V CB 2.184 34.161 31.823 0.256 0.000 0.996 27 V HN 0.676 nan 8.190 nan 0.000 0.425 28 R N 2.883 123.137 120.500 -0.410 0.000 2.229 28 R HA 0.731 5.071 4.340 -0.000 0.000 0.328 28 R C 0.133 176.152 176.300 -0.467 0.000 1.009 28 R CA 0.268 55.826 56.100 -0.903 0.000 0.864 28 R CB 1.125 30.562 30.300 -1.438 0.000 1.085 28 R HN 0.917 nan 8.270 nan 0.000 0.453 29 G N 1.078 109.628 108.800 -0.417 0.000 3.211 29 G HA2 0.497 4.457 3.960 -0.000 0.000 0.262 29 G HA3 0.497 4.457 3.960 -0.000 0.000 0.262 29 G C -0.001 174.729 174.900 -0.284 0.000 1.352 29 G CA -0.231 44.696 45.100 -0.289 0.000 1.004 29 G HN 0.636 nan 8.290 nan 0.000 0.559 30 A N -0.960 121.722 122.820 -0.229 0.000 2.015 30 A HA 0.291 4.611 4.320 -0.000 0.000 0.219 30 A C 2.446 179.900 177.584 -0.217 0.000 1.163 30 A CA 2.536 54.456 52.037 -0.195 0.000 0.646 30 A CB -0.591 18.316 19.000 -0.155 0.000 0.806 30 A HN 1.312 nan 8.150 nan 0.000 0.448 31 A N -2.021 120.635 122.820 -0.273 0.000 2.030 31 A HA 0.498 4.818 4.320 -0.000 0.000 0.215 31 A C 1.385 178.786 177.584 -0.305 0.000 1.164 31 A CA 1.590 53.445 52.037 -0.303 0.000 0.697 31 A CB -0.340 18.422 19.000 -0.397 0.000 0.827 31 A HN 1.714 nan 8.150 nan 0.000 0.457 32 G N -2.455 106.160 108.800 -0.309 0.000 2.366 32 G HA2 0.207 4.167 3.960 -0.000 0.000 0.190 32 G HA3 0.207 4.167 3.960 -0.000 0.000 0.190 32 G C -1.676 173.051 174.900 -0.289 0.000 1.299 32 G CA -0.560 44.389 45.100 -0.252 0.000 1.056 32 G HN 0.318 nan 8.290 nan 0.000 0.468 33 W N 0.864 122.105 121.300 -0.097 0.000 2.496 33 W HA 0.660 5.321 4.660 0.000 0.000 0.327 33 W C 0.529 177.044 176.519 -0.006 0.000 1.086 33 W CA 0.424 57.748 57.345 -0.035 0.000 1.222 33 W CB 2.177 31.637 29.460 0.001 0.000 1.304 33 W HN 0.871 nan 8.180 nan 0.000 0.547 34 G N 1.135 110.106 108.800 0.286 0.000 2.519 34 G HA2 0.566 4.525 3.960 -0.000 0.000 0.307 34 G HA3 0.566 4.525 3.960 -0.000 0.000 0.307 34 G C -1.864 173.215 174.900 0.300 0.000 1.266 34 G CA -0.705 44.530 45.100 0.225 0.000 0.970 34 G HN 0.404 nan 8.290 nan 0.000 0.481 35 E N 0.235 120.604 120.200 0.282 0.000 2.187 35 E HA 0.525 4.875 4.350 -0.000 0.000 0.268 35 E C -1.814 175.019 176.600 0.388 0.000 0.896 35 E CA -0.820 55.769 56.400 0.315 0.000 0.766 35 E CB 1.801 31.645 29.700 0.240 0.000 1.142 35 E HN 0.241 nan 8.360 nan 0.000 0.408 36 F N 4.378 124.473 119.950 0.241 0.000 2.430 36 F HA 0.318 4.845 4.527 -0.000 0.000 0.362 36 F C -0.741 175.144 175.800 0.143 0.000 1.103 36 F CA -0.655 57.523 58.000 0.296 0.000 1.045 36 F CB 1.105 40.337 39.000 0.386 0.000 1.276 36 F HN 0.318 nan 8.300 nan 0.000 0.444 37 S N 5.580 121.204 115.700 -0.127 0.000 2.665 37 S HA 0.406 4.876 4.470 -0.000 0.000 0.235 37 S C -3.075 171.250 174.600 -0.459 0.000 1.084 37 S CA -1.155 56.861 58.200 -0.307 0.000 1.151 37 S CB -0.136 63.005 63.200 -0.098 0.000 1.151 37 S HN 0.405 nan 8.310 nan 0.000 0.461 38 P HA 0.195 nan 4.420 nan 0.000 0.269 38 P C -0.344 176.400 177.300 -0.928 0.000 1.209 38 P CA -0.200 62.009 63.100 -1.485 0.000 0.776 38 P CB 0.310 31.181 31.700 -1.382 0.000 0.876 39 F N 1.065 120.559 119.950 -0.760 0.000 2.553 39 F HA 0.118 4.644 4.527 -0.001 0.000 0.356 39 F C 2.163 177.555 175.800 -0.680 0.000 1.142 39 F CA 0.341 57.964 58.000 -0.629 0.000 1.322 39 F CB -0.512 38.068 39.000 -0.700 0.000 1.126 39 F HN 0.421 nan 8.300 nan 0.000 0.599 40 A N 1.946 124.620 122.820 -0.244 0.000 1.940 40 A HA -0.269 4.051 4.320 -0.000 0.000 0.221 40 A C 2.106 179.528 177.584 -0.270 0.000 1.190 40 A CA 2.160 54.043 52.037 -0.258 0.000 0.647 40 A CB -0.883 18.026 19.000 -0.152 0.000 0.821 40 A HN 0.824 nan 8.150 nan 0.000 0.457 41 E N -1.054 118.969 120.200 -0.294 0.000 2.418 41 E HA -0.118 4.232 4.350 -0.000 0.000 0.197 41 E C -0.513 176.076 176.600 -0.018 0.000 1.026 41 E CA 0.070 56.374 56.400 -0.160 0.000 0.862 41 E CB -0.460 29.176 29.700 -0.106 0.000 0.799 41 E HN 0.595 nan 8.360 nan 0.000 0.518 42 Y N 1.920 122.161 120.300 -0.099 0.000 2.465 42 Y HA 0.428 4.979 4.550 0.001 0.000 0.331 42 Y C 1.437 177.282 175.900 -0.092 0.000 1.102 42 Y CA -0.596 57.444 58.100 -0.100 0.000 1.358 42 Y CB 0.344 38.686 38.460 -0.196 0.000 1.213 42 Y HN -0.086 nan 8.280 nan 0.000 0.525 43 G N 4.255 113.135 108.800 0.133 0.000 2.599 43 G HA2 0.211 4.170 3.960 -0.000 0.000 0.264 43 G HA3 0.211 4.170 3.960 -0.000 0.000 0.264 43 G C -1.439 173.514 174.900 0.088 0.000 1.200 43 G CA -1.214 43.928 45.100 0.071 0.000 0.896 43 G HN 0.433 nan 8.290 nan 0.000 0.536 44 P HA -0.141 nan 4.420 nan 0.000 0.218 44 P C 1.520 178.913 177.300 0.156 0.000 1.148 44 P CA 1.004 64.172 63.100 0.113 0.000 0.822 44 P CB 0.230 31.971 31.700 0.069 0.000 0.784 45 R N 0.059 120.636 120.500 0.128 0.000 2.075 45 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 45 R C 2.531 178.945 176.300 0.190 0.000 1.126 45 R CA 1.379 57.567 56.100 0.147 0.000 0.963 45 R CB -0.491 29.869 30.300 0.100 0.000 0.858 45 R HN 0.302 nan 8.270 nan 0.000 0.435 46 E N 0.059 120.354 120.200 0.158 0.000 2.158 46 E HA -0.136 4.213 4.350 -0.000 0.000 0.191 46 E C 1.468 178.243 176.600 0.292 0.000 0.982 46 E CA 0.792 57.291 56.400 0.165 0.000 0.823 46 E CB 0.120 29.832 29.700 0.021 0.000 0.766 46 E HN 0.299 nan 8.360 nan 0.000 0.468 47 C N 0.545 120.000 119.300 0.258 0.000 2.456 47 C HA 0.136 4.596 4.460 -0.000 0.000 0.279 47 C C 2.638 177.984 174.990 0.593 0.000 1.427 47 C CA 0.449 59.679 59.018 0.352 0.000 1.778 47 C CB -0.993 26.930 27.740 0.304 0.000 1.842 47 C HN 0.571 nan 8.230 nan 0.000 0.531 48 A N 1.232 124.349 122.820 0.494 0.000 1.917 48 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 48 A C 2.255 180.127 177.584 0.481 0.000 1.182 48 A CA 1.620 53.998 52.037 0.568 0.000 0.633 48 A CB -0.475 18.886 19.000 0.601 0.000 0.819 48 A HN 0.674 nan 8.150 nan 0.000 0.448 49 R N -2.079 118.679 120.500 0.429 0.000 2.115 49 R HA -0.156 4.184 4.340 -0.000 0.000 0.230 49 R C 1.942 178.297 176.300 0.093 0.000 1.111 49 R CA 1.381 57.551 56.100 0.117 0.000 0.976 49 R CB -0.307 30.090 30.300 0.162 0.000 0.870 49 R HN 0.745 nan 8.270 nan 0.000 0.445 50 W N 0.270 121.676 121.300 0.177 0.000 2.363 50 W HA -0.175 4.486 4.660 0.000 0.000 0.296 50 W C 2.193 178.953 176.519 0.402 0.000 1.212 50 W CA 0.484 57.975 57.345 0.243 0.000 1.260 50 W CB -0.715 28.885 29.460 0.234 0.000 1.131 50 W HN 0.271 nan 8.180 nan 0.000 0.530 51 W N 1.107 122.721 121.300 0.523 0.000 2.381 51 W HA -0.153 4.506 4.660 -0.001 0.000 0.301 51 W C 1.980 178.461 176.519 -0.064 0.000 1.205 51 W CA 1.831 59.291 57.345 0.192 0.000 1.285 51 W CB -0.648 28.779 29.460 -0.054 0.000 1.133 51 W HN -0.106 nan 8.180 nan 0.000 0.521 52 A N 1.463 123.881 122.820 -0.670 0.000 1.940 52 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 52 A C 2.173 179.437 177.584 -0.533 0.000 1.176 52 A CA 2.756 54.163 52.037 -1.051 0.000 0.631 52 A CB -1.305 16.660 19.000 -1.726 0.000 0.814 52 A HN 0.381 nan 8.150 nan 0.000 0.446 53 A N -1.168 121.469 122.820 -0.305 0.000 1.873 53 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 53 A C 2.421 179.958 177.584 -0.079 0.000 1.186 53 A CA 1.642 53.598 52.037 -0.134 0.000 0.616 53 A CB -1.437 17.507 19.000 -0.093 0.000 0.823 53 A HN 0.830 nan 8.150 nan 0.000 0.442 54 C N -1.662 117.596 119.300 -0.069 0.000 2.413 54 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 54 C C 2.485 177.311 174.990 -0.274 0.000 1.236 54 C CA 1.387 60.385 59.018 -0.032 0.000 1.735 54 C CB -1.449 26.393 27.740 0.169 0.000 2.031 54 C HN 0.692 nan 8.230 nan 0.000 0.474 55 Y N 1.666 121.480 120.300 -0.811 0.000 2.165 55 Y HA -0.164 4.386 4.550 -0.001 0.000 0.286 55 Y C 2.473 178.134 175.900 -0.399 0.000 1.155 55 Y CA 2.483 60.103 58.100 -0.800 0.000 1.164 55 Y CB -0.734 37.045 38.460 -1.134 0.000 0.978 55 Y HN 0.532 nan 8.280 nan 0.000 0.513 56 E N -0.026 119.986 120.200 -0.313 0.000 2.058 56 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 56 E C 2.258 178.670 176.600 -0.314 0.000 0.997 56 E CA 1.214 57.467 56.400 -0.246 0.000 0.801 56 E CB -0.346 29.337 29.700 -0.027 0.000 0.746 56 E HN 0.558 nan 8.360 nan 0.000 0.450 57 A N 0.973 123.697 122.820 -0.161 0.000 1.898 57 A HA -0.041 4.278 4.320 -0.000 0.000 0.216 57 A C 2.316 179.658 177.584 -0.404 0.000 1.181 57 A CA 1.789 53.684 52.037 -0.237 0.000 0.620 57 A CB -0.560 18.588 19.000 0.247 0.000 0.819 57 A HN 0.414 nan 8.150 nan 0.000 0.442 58 A N -1.557 121.072 122.820 -0.318 0.000 1.975 58 A HA 0.058 4.378 4.320 -0.000 0.000 0.215 58 A C 1.996 179.335 177.584 -0.409 0.000 1.170 58 A CA 1.408 53.255 52.037 -0.316 0.000 0.656 58 A CB -0.104 18.768 19.000 -0.212 0.000 0.821 58 A HN 0.374 nan 8.150 nan 0.000 0.449 59 E N -0.780 119.082 120.200 -0.563 0.000 2.290 59 E HA 0.202 4.551 4.350 -0.000 0.000 0.199 59 E C 1.822 178.141 176.600 -0.468 0.000 0.912 59 E CA 0.410 56.467 56.400 -0.572 0.000 0.924 59 E CB 0.148 29.297 29.700 -0.920 0.000 0.901 59 E HN 0.590 nan 8.360 nan 0.000 0.487 60 L N -0.519 120.412 121.223 -0.486 0.000 2.357 60 L HA 0.293 4.633 4.340 -0.000 0.000 0.211 60 L C 1.132 177.822 176.870 -0.301 0.000 1.075 60 L CA 0.459 55.111 54.840 -0.313 0.000 0.830 60 L CB 0.013 41.940 42.059 -0.220 0.000 0.996 60 L HN 0.085 nan 8.230 nan 0.000 0.467 61 G N -0.682 107.839 108.800 -0.466 0.000 2.756 61 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.678 61 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.678 61 G C -1.260 173.390 174.900 -0.418 0.000 1.349 61 G CA -0.755 44.006 45.100 -0.565 0.000 0.847 61 G HN 0.009 nan 8.290 nan 0.000 0.548 62 W N -0.563 120.705 121.300 -0.053 0.000 2.655 62 W HA 0.578 5.238 4.660 -0.001 0.000 0.358 62 W C -1.858 174.643 176.519 -0.029 0.000 1.100 62 W CA -1.895 55.425 57.345 -0.041 0.000 1.195 62 W CB 0.040 29.478 29.460 -0.037 0.000 1.403 62 W HN 0.508 nan 8.180 nan 0.000 0.589 63 P HA 0.163 nan 4.420 nan 0.000 0.266 63 P C -0.223 177.145 177.300 0.113 0.000 1.195 63 P CA 0.110 63.281 63.100 0.117 0.000 0.768 63 P CB 0.347 32.098 31.700 0.084 0.000 0.838 64 A N 5.142 128.006 122.820 0.074 0.000 2.531 64 A HA 0.264 4.584 4.320 -0.000 0.000 0.236 64 A C -1.708 175.907 177.584 0.052 0.000 1.062 64 A CA -0.647 51.428 52.037 0.063 0.000 0.760 64 A CB -1.074 17.950 19.000 0.040 0.000 0.995 64 A HN 0.446 nan 8.150 nan 0.000 0.501 65 P HA 0.237 nan 4.420 nan 0.000 0.277 65 P C 0.497 177.809 177.300 0.019 0.000 1.240 65 P CA -0.107 63.010 63.100 0.028 0.000 0.798 65 P CB 1.223 32.940 31.700 0.029 0.000 0.979 66 V N -0.878 119.041 119.914 0.009 0.000 3.578 66 V HA 0.282 4.402 4.120 -0.000 0.000 0.290 66 V C 0.668 176.764 176.094 0.003 0.000 1.376 66 V CA 0.102 62.406 62.300 0.007 0.000 1.083 66 V CB -1.038 30.788 31.823 0.004 0.000 0.911 66 V HN 0.637 nan 8.190 nan 0.000 0.433 67 R N -1.545 118.956 120.500 0.002 0.000 2.707 67 R HA 0.572 4.912 4.340 -0.000 0.000 0.272 67 R C -0.909 175.393 176.300 0.002 0.000 1.011 67 R CA -0.599 55.501 56.100 0.000 0.000 0.893 67 R CB 1.374 31.671 30.300 -0.004 0.000 1.233 67 R HN -0.047 nan 8.270 nan 0.000 0.464 68 D N 0.645 121.046 120.400 0.003 0.000 2.333 68 D HA 0.009 4.649 4.640 -0.000 0.000 0.208 68 D C 0.252 176.553 176.300 0.000 0.000 0.984 68 D CA 1.301 55.304 54.000 0.004 0.000 0.873 68 D CB 0.633 41.437 40.800 0.005 0.000 0.935 68 D HN 0.718 nan 8.370 nan 0.000 0.521 69 T N -1.994 112.559 114.554 -0.002 0.000 2.864 69 T HA 0.609 4.958 4.350 -0.000 0.000 0.299 69 T C -0.572 174.123 174.700 -0.008 0.000 1.166 69 T CA -0.964 61.133 62.100 -0.005 0.000 1.007 69 T CB 2.370 71.238 68.868 -0.001 0.000 1.219 69 T HN -0.124 nan 8.240 nan 0.000 0.506 70 V N -1.228 118.680 119.914 -0.011 0.000 2.638 70 V HA 0.855 4.975 4.120 -0.000 0.000 0.306 70 V C -3.015 173.078 176.094 -0.002 0.000 1.052 70 V CA -2.749 59.545 62.300 -0.010 0.000 0.885 70 V CB 1.777 33.587 31.823 -0.023 0.000 0.999 70 V HN 0.925 nan 8.190 nan 0.000 0.424 71 P HA 0.438 nan 4.420 nan 0.000 0.279 71 P C -0.518 176.793 177.300 0.018 0.000 1.239 71 P CA -0.070 63.039 63.100 0.014 0.000 0.789 71 P CB 1.795 33.506 31.700 0.018 0.000 0.933 72 V N 0.303 120.226 119.914 0.016 0.000 3.001 72 V HA 0.634 4.753 4.120 -0.000 0.000 0.314 72 V C -0.331 175.772 176.094 0.015 0.000 1.099 72 V CA -1.103 61.205 62.300 0.014 0.000 0.989 72 V CB 2.050 33.872 31.823 -0.001 0.000 1.040 72 V HN 0.704 nan 8.190 nan 0.000 0.434 73 N N 1.887 120.596 118.700 0.014 0.000 2.443 73 N HA 0.677 5.417 4.740 -0.000 0.000 0.293 73 N C -0.214 175.290 175.510 -0.009 0.000 1.159 73 N CA -0.280 52.773 53.050 0.005 0.000 0.904 73 N CB 2.402 40.892 38.487 0.006 0.000 1.214 73 N HN 1.177 nan 8.380 nan 0.000 0.513 74 A N 0.675 123.485 122.820 -0.017 0.000 2.388 74 A HA 0.394 4.714 4.320 -0.000 0.000 0.257 74 A C -0.076 177.488 177.584 -0.033 0.000 1.095 74 A CA -0.191 51.828 52.037 -0.029 0.000 0.791 74 A CB 0.017 19.000 19.000 -0.029 0.000 1.029 74 A HN 0.671 nan 8.150 nan 0.000 0.489 75 T N 2.245 116.765 114.554 -0.057 0.000 2.756 75 T HA 0.453 4.803 4.350 -0.000 0.000 0.290 75 T C -0.434 174.222 174.700 -0.072 0.000 0.985 75 T CA -0.212 61.850 62.100 -0.063 0.000 0.955 75 T CB 0.765 69.551 68.868 -0.137 0.000 0.930 75 T HN 0.383 nan 8.240 nan 0.000 0.451 76 V N 7.557 127.468 119.914 -0.006 0.000 2.311 76 V HA 0.301 4.421 4.120 -0.000 0.000 0.275 76 V C -2.046 174.105 176.094 0.095 0.000 1.022 76 V CA -1.980 60.326 62.300 0.011 0.000 0.830 76 V CB 0.848 32.673 31.823 0.003 0.000 1.012 76 V HN 0.653 nan 8.190 nan 0.000 0.452 77 P HA 0.176 nan 4.420 nan 0.000 0.275 77 P C -0.054 177.331 177.300 0.142 0.000 1.270 77 P CA -0.369 62.893 63.100 0.271 0.000 0.791 77 P CB 0.594 32.441 31.700 0.245 0.000 1.089 78 A N 0.557 123.449 122.820 0.120 0.000 3.051 78 A HA 0.356 4.676 4.320 -0.000 0.000 0.257 78 A C 0.423 178.033 177.584 0.045 0.000 1.785 78 A CA -0.120 51.949 52.037 0.053 0.000 1.420 78 A CB -1.692 17.319 19.000 0.019 0.000 1.063 78 A HN 0.345 nan 8.150 nan 0.000 0.630 79 V N -1.675 118.264 119.914 0.041 0.000 3.193 79 V HA 0.921 5.041 4.120 -0.000 0.000 0.320 79 V C 0.852 176.954 176.094 0.014 0.000 1.112 79 V CA -0.512 61.804 62.300 0.027 0.000 1.026 79 V CB 0.502 32.340 31.823 0.024 0.000 1.128 79 V HN 0.612 nan 8.190 nan 0.000 0.452 80 G N 0.495 109.301 108.800 0.009 0.000 2.614 80 G HA2 0.354 4.314 3.960 -0.000 0.000 0.239 80 G HA3 0.354 4.314 3.960 -0.000 0.000 0.239 80 G C -1.008 173.888 174.900 -0.006 0.000 1.240 80 G CA -0.239 44.862 45.100 0.003 0.000 0.842 80 G HN 0.763 nan 8.290 nan 0.000 0.584 81 P HA -0.167 nan 4.420 nan 0.000 0.216 81 P C 1.255 178.541 177.300 -0.024 0.000 1.150 81 P CA 1.323 64.407 63.100 -0.026 0.000 0.837 81 P CB 0.379 32.062 31.700 -0.029 0.000 0.786 82 E N 0.697 120.888 120.200 -0.015 0.000 2.031 82 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 82 E C 2.174 178.766 176.600 -0.013 0.000 0.994 82 E CA 1.571 57.963 56.400 -0.013 0.000 0.800 82 E CB -0.811 28.884 29.700 -0.007 0.000 0.752 82 E HN 0.016 nan 8.360 nan 0.000 0.447 83 E N -0.362 119.832 120.200 -0.009 0.000 2.150 83 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 83 E C 1.773 178.365 176.600 -0.013 0.000 0.985 83 E CA 1.173 57.568 56.400 -0.009 0.000 0.814 83 E CB -0.461 29.237 29.700 -0.003 0.000 0.752 83 E HN 0.341 nan 8.360 nan 0.000 0.466 84 A N 0.716 123.527 122.820 -0.015 0.000 1.908 84 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 84 A C 2.409 179.976 177.584 -0.028 0.000 1.181 84 A CA 2.135 54.159 52.037 -0.021 0.000 0.627 84 A CB -0.986 17.999 19.000 -0.025 0.000 0.818 84 A HN 0.345 nan 8.150 nan 0.000 0.445 85 A N -0.347 122.455 122.820 -0.030 0.000 1.902 85 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 85 A C 2.235 179.805 177.584 -0.024 0.000 1.181 85 A CA 1.520 53.538 52.037 -0.031 0.000 0.623 85 A CB -0.446 18.536 19.000 -0.031 0.000 0.818 85 A HN 0.561 nan 8.150 nan 0.000 0.443 86 R N -0.575 119.914 120.500 -0.020 0.000 2.092 86 R HA -0.003 4.336 4.340 -0.000 0.000 0.231 86 R C 1.943 178.231 176.300 -0.019 0.000 1.119 86 R CA 1.438 57.528 56.100 -0.017 0.000 0.970 86 R CB -0.453 29.840 30.300 -0.013 0.000 0.864 86 R HN 0.566 nan 8.270 nan 0.000 0.440 87 I N 0.181 120.738 120.570 -0.022 0.000 2.226 87 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 87 I C 2.147 178.248 176.117 -0.027 0.000 1.100 87 I CA 1.195 62.478 61.300 -0.027 0.000 1.374 87 I CB -0.180 37.801 38.000 -0.033 0.000 1.057 87 I HN -0.012 nan 8.210 nan 0.000 0.413 88 V N 0.910 120.809 119.914 -0.026 0.000 2.323 88 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 88 V C 2.684 178.767 176.094 -0.018 0.000 1.041 88 V CA 1.831 64.117 62.300 -0.024 0.000 1.025 88 V CB -0.976 30.830 31.823 -0.027 0.000 0.656 88 V HN 0.475 nan 8.190 nan 0.000 0.451 89 A N 0.666 123.475 122.820 -0.017 0.000 2.019 89 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 89 A C 2.311 179.890 177.584 -0.008 0.000 1.164 89 A CA 2.123 54.153 52.037 -0.012 0.000 0.644 89 A CB -0.477 18.516 19.000 -0.013 0.000 0.805 89 A HN 0.697 nan 8.150 nan 0.000 0.449 90 S N -0.742 114.952 115.700 -0.010 0.000 2.540 90 S HA 0.051 4.521 4.470 -0.000 0.000 0.218 90 S C 1.611 176.207 174.600 -0.006 0.000 0.977 90 S CA 0.713 58.910 58.200 -0.006 0.000 0.918 90 S CB -0.275 62.918 63.200 -0.011 0.000 0.806 90 S HN 0.752 nan 8.310 nan 0.000 0.496 91 S N 1.380 117.075 115.700 -0.008 0.000 2.406 91 S HA 0.298 4.768 4.470 -0.000 0.000 0.228 91 S C 1.906 176.510 174.600 0.008 0.000 1.020 91 S CA 0.854 59.048 58.200 -0.009 0.000 0.965 91 S CB -1.109 62.082 63.200 -0.016 0.000 0.798 91 S HN 1.532 nan 8.310 nan 0.000 0.488 92 G N 0.122 108.933 108.800 0.019 0.000 2.162 92 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 92 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 92 G C 0.102 175.020 174.900 0.032 0.000 0.976 92 G CA 0.059 45.186 45.100 0.045 0.000 0.655 92 G HN 0.731 nan 8.290 nan 0.000 0.533 93 C N 0.197 119.504 119.300 0.012 0.000 2.397 93 C HA 0.754 5.213 4.460 -0.000 0.000 0.343 93 C C 1.756 176.745 174.990 -0.000 0.000 1.188 93 C CA 0.315 59.337 59.018 0.007 0.000 1.992 93 C CB 1.441 29.182 27.740 0.001 0.000 2.358 93 C HN 0.691 nan 8.230 nan 0.000 0.518 94 T N -2.257 112.298 114.554 0.001 0.000 3.040 94 T HA 0.112 4.462 4.350 -0.000 0.000 0.250 94 T C 0.430 175.128 174.700 -0.003 0.000 1.058 94 T CA 0.291 62.389 62.100 -0.003 0.000 0.988 94 T CB -0.137 68.730 68.868 -0.001 0.000 0.993 94 T HN 0.632 nan 8.240 nan 0.000 0.519 95 T N 2.228 116.780 114.554 -0.003 0.000 2.829 95 T HA 0.763 5.113 4.350 -0.000 0.000 0.280 95 T C -0.864 173.822 174.700 -0.024 0.000 0.999 95 T CA -0.581 61.511 62.100 -0.012 0.000 0.983 95 T CB 1.617 70.486 68.868 0.002 0.000 0.968 95 T HN 0.461 nan 8.240 nan 0.000 0.446 96 A N 2.937 125.732 122.820 -0.041 0.000 2.422 96 A HA 0.751 5.071 4.320 -0.000 0.000 0.302 96 A C -0.740 176.809 177.584 -0.059 0.000 1.041 96 A CA -0.803 51.210 52.037 -0.041 0.000 0.708 96 A CB 1.436 20.415 19.000 -0.035 0.000 1.257 96 A HN 0.591 nan 8.150 nan 0.000 0.414 97 K N 2.068 122.444 120.400 -0.041 0.000 2.265 97 K HA 0.568 4.888 4.320 -0.000 0.000 0.267 97 K C -1.266 175.334 176.600 -0.001 0.000 0.994 97 K CA -0.318 55.947 56.287 -0.037 0.000 0.860 97 K CB 1.577 34.072 32.500 -0.008 0.000 1.099 97 K HN 0.506 nan 8.250 nan 0.000 0.448 98 V N 3.999 123.909 119.914 -0.006 0.000 2.394 98 V HA 0.188 4.308 4.120 -0.000 0.000 0.282 98 V C 0.008 176.113 176.094 0.019 0.000 1.031 98 V CA -0.966 61.340 62.300 0.011 0.000 0.881 98 V CB 1.343 33.162 31.823 -0.006 0.000 0.982 98 V HN 0.594 nan 8.190 nan 0.000 0.451 99 K N 4.988 125.412 120.400 0.041 0.000 2.322 99 K HA 0.495 4.815 4.320 -0.000 0.000 0.283 99 K C -0.607 175.979 176.600 -0.023 0.000 1.042 99 K CA -0.028 56.262 56.287 0.005 0.000 0.958 99 K CB 0.890 33.409 32.500 0.032 0.000 0.984 99 K HN 0.646 nan 8.250 nan 0.000 0.473 100 V N 0.219 120.083 119.914 -0.084 0.000 3.141 100 V HA 0.832 4.951 4.120 -0.000 0.000 0.312 100 V C 0.101 176.078 176.094 -0.195 0.000 1.157 100 V CA -0.609 61.647 62.300 -0.074 0.000 1.041 100 V CB 0.981 32.800 31.823 -0.008 0.000 1.071 100 V HN 1.100 nan 8.190 nan 0.000 0.441 101 A N -0.085 122.676 122.820 -0.099 0.000 2.872 101 A HA -0.182 4.137 4.320 -0.000 0.000 0.273 101 A C 0.335 177.844 177.584 -0.124 0.000 1.442 101 A CA 1.351 53.305 52.037 -0.138 0.000 0.801 101 A CB -2.379 16.249 19.000 -0.620 0.000 1.031 101 A HN 1.828 nan 8.150 nan 0.000 0.582 102 E N 0.454 120.610 120.200 -0.074 0.000 2.376 102 E HA 0.313 4.662 4.350 -0.000 0.000 0.266 102 E C 0.648 177.223 176.600 -0.042 0.000 1.009 102 E CA -0.293 56.062 56.400 -0.075 0.000 0.902 102 E CB 0.402 30.070 29.700 -0.053 0.000 0.972 102 E HN 0.469 nan 8.360 nan 0.000 0.439 103 R N 3.425 123.893 120.500 -0.054 0.000 2.486 103 R HA 0.084 4.424 4.340 -0.000 0.000 0.303 103 R C 0.675 176.967 176.300 -0.013 0.000 0.958 103 R CA 1.350 57.433 56.100 -0.029 0.000 1.077 103 R CB -0.476 29.801 30.300 -0.040 0.000 0.921 103 R HN 0.874 nan 8.270 nan 0.000 0.406 104 G N 2.542 111.344 108.800 0.004 0.000 2.176 104 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.232 104 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.232 104 G C -0.073 174.838 174.900 0.017 0.000 0.986 104 G CA 0.135 45.240 45.100 0.009 0.000 0.643 104 G HN 0.616 nan 8.290 nan 0.000 0.522 105 Q N 0.247 120.061 119.800 0.024 0.000 2.195 105 Q HA 0.661 5.000 4.340 -0.000 0.000 0.250 105 Q C 0.371 176.403 176.000 0.053 0.000 0.988 105 Q CA -0.063 55.760 55.803 0.033 0.000 0.911 105 Q CB 1.690 30.446 28.738 0.030 0.000 1.258 105 Q HN 0.582 nan 8.270 nan 0.000 0.475 106 S N -0.933 114.800 115.700 0.055 0.000 2.651 106 S HA 0.208 4.677 4.470 -0.000 0.000 0.291 106 S C 0.472 175.126 174.600 0.089 0.000 1.141 106 S CA -0.697 57.541 58.200 0.064 0.000 1.027 106 S CB 1.295 64.522 63.200 0.046 0.000 1.043 106 S HN 0.636 nan 8.310 nan 0.000 0.530 107 E N 1.007 121.264 120.200 0.095 0.000 2.150 107 E HA -0.085 4.264 4.350 -0.000 0.000 0.193 107 E C 2.169 178.823 176.600 0.089 0.000 0.985 107 E CA 1.049 57.517 56.400 0.115 0.000 0.814 107 E CB -0.390 29.347 29.700 0.062 0.000 0.752 107 E HN 0.805 nan 8.360 nan 0.000 0.466 108 A N 1.913 124.771 122.820 0.063 0.000 1.972 108 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 108 A C 1.861 179.479 177.584 0.056 0.000 1.169 108 A CA 1.299 53.369 52.037 0.055 0.000 0.635 108 A CB -0.339 18.685 19.000 0.040 0.000 0.810 108 A HN 0.134 nan 8.150 nan 0.000 0.446 109 N N 0.620 119.353 118.700 0.055 0.000 2.142 109 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 109 N C 1.057 176.597 175.510 0.050 0.000 1.023 109 N CA 1.501 54.578 53.050 0.044 0.000 0.852 109 N CB -0.428 38.084 38.487 0.041 0.000 0.998 109 N HN 0.452 nan 8.380 nan 0.000 0.424 110 D N 0.653 121.102 120.400 0.083 0.000 2.117 110 D HA -0.076 4.564 4.640 -0.000 0.000 0.197 110 D C 2.109 178.460 176.300 0.086 0.000 0.987 110 D CA 0.582 54.643 54.000 0.101 0.000 0.829 110 D CB -0.263 40.650 40.800 0.187 0.000 0.961 110 D HN 0.020 nan 8.370 nan 0.000 0.460 111 V N 1.624 121.601 119.914 0.104 0.000 2.295 111 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 111 V C 2.586 178.689 176.094 0.015 0.000 1.049 111 V CA 1.796 64.173 62.300 0.129 0.000 1.024 111 V CB -0.822 31.103 31.823 0.169 0.000 0.648 111 V HN 0.176 nan 8.190 nan 0.000 0.447 112 A N -0.142 122.684 122.820 0.011 0.000 1.933 112 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 112 A C 2.415 179.947 177.584 -0.087 0.000 1.175 112 A CA 2.073 54.091 52.037 -0.032 0.000 0.628 112 A CB -0.533 18.466 19.000 -0.002 0.000 0.814 112 A HN 0.498 nan 8.150 nan 0.000 0.444 113 R N -0.492 119.971 120.500 -0.062 0.000 2.062 113 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 113 R C 1.943 178.161 176.300 -0.135 0.000 1.128 113 R CA 1.645 57.703 56.100 -0.070 0.000 0.960 113 R CB -0.365 29.921 30.300 -0.024 0.000 0.855 113 R HN 0.285 nan 8.270 nan 0.000 0.432 114 V N 1.406 121.220 119.914 -0.166 0.000 2.343 114 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 114 V C 2.324 178.084 176.094 -0.558 0.000 1.051 114 V CA 2.208 64.355 62.300 -0.255 0.000 1.036 114 V CB -0.583 31.151 31.823 -0.148 0.000 0.654 114 V HN 0.493 nan 8.190 nan 0.000 0.451 115 E N 0.433 120.126 120.200 -0.844 0.000 2.058 115 E HA -0.257 4.092 4.350 -0.000 0.000 0.194 115 E C 2.238 178.588 176.600 -0.417 0.000 0.997 115 E CA 1.541 57.331 56.400 -1.015 0.000 0.801 115 E CB -0.269 29.038 29.700 -0.656 0.000 0.746 115 E HN 0.555 nan 8.360 nan 0.000 0.450 116 A N 0.450 123.118 122.820 -0.253 0.000 1.933 116 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 116 A C 2.390 179.903 177.584 -0.118 0.000 1.175 116 A CA 1.479 53.433 52.037 -0.137 0.000 0.628 116 A CB -0.577 18.368 19.000 -0.092 0.000 0.814 116 A HN 0.245 nan 8.150 nan 0.000 0.444 117 V N 0.101 119.933 119.914 -0.138 0.000 2.307 117 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 117 V C 2.674 178.716 176.094 -0.086 0.000 1.045 117 V CA 2.271 64.514 62.300 -0.096 0.000 1.024 117 V CB -0.780 30.991 31.823 -0.087 0.000 0.651 117 V HN 0.677 nan 8.190 nan 0.000 0.449 118 R N 1.161 121.587 120.500 -0.123 0.000 2.083 118 R HA -0.183 4.156 4.340 -0.000 0.000 0.237 118 R C 1.829 178.110 176.300 -0.031 0.000 1.137 118 R CA 2.155 58.220 56.100 -0.058 0.000 0.951 118 R CB -1.117 29.159 30.300 -0.040 0.000 0.851 118 R HN 0.504 nan 8.270 nan 0.000 0.434 119 D N 0.041 120.409 120.400 -0.053 0.000 2.144 119 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 119 D C 1.662 177.950 176.300 -0.020 0.000 0.984 119 D CA 1.743 55.729 54.000 -0.023 0.000 0.834 119 D CB -0.312 40.470 40.800 -0.031 0.000 0.955 119 D HN 0.424 nan 8.370 nan 0.000 0.465 120 A N 0.509 123.310 122.820 -0.032 0.000 1.898 120 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 120 A C 2.335 179.909 177.584 -0.017 0.000 1.181 120 A CA 0.710 52.733 52.037 -0.024 0.000 0.620 120 A CB -0.614 18.369 19.000 -0.030 0.000 0.819 120 A HN 0.194 nan 8.150 nan 0.000 0.442 121 L N -1.310 119.902 121.223 -0.018 0.000 2.395 121 L HA 0.203 4.543 4.340 -0.000 0.000 0.218 121 L C 1.471 178.339 176.870 -0.004 0.000 1.130 121 L CA 0.432 55.266 54.840 -0.011 0.000 0.826 121 L CB -0.743 41.309 42.059 -0.011 0.000 0.941 121 L HN 0.675 nan 8.230 nan 0.000 0.451 122 G N -0.137 108.663 108.800 0.001 0.000 2.725 122 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 122 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 122 G C -2.154 172.756 174.900 0.017 0.000 1.357 122 G CA -0.319 44.786 45.100 0.008 0.000 0.866 122 G HN 0.025 nan 8.290 nan 0.000 0.548 123 P HA 0.002 nan 4.420 nan 0.000 0.217 123 P C 1.881 179.193 177.300 0.020 0.000 1.150 123 P CA 1.170 64.285 63.100 0.024 0.000 0.832 123 P CB 0.055 31.767 31.700 0.020 0.000 0.787 124 R N -0.297 120.211 120.500 0.013 0.000 2.307 124 R HA 0.150 4.490 4.340 -0.000 0.000 0.199 124 R C 1.271 177.577 176.300 0.010 0.000 1.000 124 R CA 0.294 56.400 56.100 0.010 0.000 1.023 124 R CB -1.068 29.235 30.300 0.004 0.000 0.908 124 R HN 0.186 nan 8.270 nan 0.000 0.473 125 G N 0.648 109.454 108.800 0.010 0.000 2.606 125 G HA2 0.233 4.193 3.960 -0.000 0.000 0.252 125 G HA3 0.233 4.193 3.960 -0.000 0.000 0.252 125 G C -0.530 174.375 174.900 0.008 0.000 1.206 125 G CA -0.466 44.638 45.100 0.006 0.000 0.861 125 G HN 0.140 nan 8.290 nan 0.000 0.561 126 R N -0.531 119.969 120.500 -0.000 0.000 2.387 126 R HA 0.492 4.831 4.340 -0.000 0.000 0.314 126 R C -1.093 175.184 176.300 -0.039 0.000 0.958 126 R CA -0.547 55.548 56.100 -0.009 0.000 0.846 126 R CB 2.238 32.538 30.300 0.000 0.000 1.147 126 R HN 0.276 nan 8.270 nan 0.000 0.447 127 V N 4.311 124.198 119.914 -0.045 0.000 2.444 127 V HA 0.484 4.604 4.120 -0.000 0.000 0.294 127 V C -0.142 175.883 176.094 -0.114 0.000 1.022 127 V CA -0.866 61.398 62.300 -0.060 0.000 0.850 127 V CB 1.713 33.529 31.823 -0.011 0.000 0.992 127 V HN 0.720 nan 8.190 nan 0.000 0.426 128 R N 4.536 124.929 120.500 -0.177 0.000 2.873 128 R HA 0.849 5.189 4.340 -0.000 0.000 0.264 128 R C -0.794 175.450 176.300 -0.095 0.000 1.026 128 R CA -0.805 55.143 56.100 -0.253 0.000 1.002 128 R CB 2.400 32.378 30.300 -0.537 0.000 1.174 128 R HN 0.806 nan 8.270 nan 0.000 0.488 129 I N -2.347 118.204 120.570 -0.031 0.000 2.730 129 I HA 0.552 4.722 4.170 -0.000 0.000 0.298 129 I C -1.276 174.848 176.117 0.011 0.000 1.089 129 I CA -0.882 60.423 61.300 0.009 0.000 1.041 129 I CB 2.544 40.578 38.000 0.058 0.000 1.235 129 I HN 0.354 nan 8.210 nan 0.000 0.423 130 D N 4.046 124.431 120.400 -0.026 0.000 2.481 130 D HA 0.396 5.036 4.640 -0.000 0.000 0.246 130 D C 0.323 176.523 176.300 -0.167 0.000 1.109 130 D CA -0.414 53.555 54.000 -0.053 0.000 0.845 130 D CB 2.620 43.410 40.800 -0.018 0.000 1.160 130 D HN 0.463 nan 8.370 nan 0.000 0.534 131 V N 2.866 122.630 119.914 -0.250 0.000 3.471 131 V HA 0.042 4.162 4.120 -0.000 0.000 0.258 131 V C 0.637 176.519 176.094 -0.352 0.000 1.192 131 V CA 0.052 62.065 62.300 -0.478 0.000 1.116 131 V CB -1.100 30.297 31.823 -0.710 0.000 0.792 131 V HN 0.745 nan 8.190 nan 0.000 0.459 132 N N 0.621 119.194 118.700 -0.212 0.000 2.727 132 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 132 N C 1.007 176.428 175.510 -0.148 0.000 1.048 132 N CA 0.608 53.563 53.050 -0.158 0.000 0.714 132 N CB -1.272 37.113 38.487 -0.171 0.000 0.959 132 N HN 0.784 nan 8.380 nan 0.000 0.544 133 G N -1.378 107.338 108.800 -0.140 0.000 2.187 133 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.261 133 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.261 133 G C 1.112 175.955 174.900 -0.096 0.000 1.000 133 G CA 0.742 45.789 45.100 -0.089 0.000 0.718 133 G HN 0.952 nan 8.290 nan 0.000 0.519 134 A N -1.280 121.412 122.820 -0.213 0.000 2.067 134 A HA 0.299 4.618 4.320 -0.000 0.000 0.219 134 A C 1.135 178.708 177.584 -0.019 0.000 1.158 134 A CA 1.052 52.977 52.037 -0.186 0.000 0.661 134 A CB -0.113 18.691 19.000 -0.326 0.000 0.801 134 A HN 0.563 nan 8.150 nan 0.000 0.452 135 W N 1.230 122.532 121.300 0.003 0.000 2.448 135 W HA 0.410 5.070 4.660 -0.001 0.000 0.339 135 W C -0.090 176.432 176.519 0.005 0.000 1.124 135 W CA -1.605 55.743 57.345 0.005 0.000 1.262 135 W CB 0.320 29.785 29.460 0.009 0.000 1.251 135 W HN 0.366 nan 8.180 nan 0.000 0.597 136 D N -0.556 119.993 120.400 0.248 0.000 2.451 136 D HA 0.097 4.737 4.640 -0.000 0.000 0.259 136 D C 0.959 177.329 176.300 0.116 0.000 1.201 136 D CA -0.440 53.639 54.000 0.131 0.000 1.028 136 D CB 0.793 41.640 40.800 0.079 0.000 1.095 136 D HN 0.080 nan 8.370 nan 0.000 0.539 137 V N 0.795 120.751 119.914 0.071 0.000 2.255 137 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 137 V C 2.025 178.131 176.094 0.021 0.000 1.051 137 V CA 2.232 64.564 62.300 0.053 0.000 1.018 137 V CB -0.670 31.175 31.823 0.036 0.000 0.641 137 V HN 0.570 nan 8.190 nan 0.000 0.445 138 D N -0.134 120.265 120.400 -0.002 0.000 2.123 138 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 138 D C 2.267 178.515 176.300 -0.087 0.000 0.992 138 D CA 1.981 55.960 54.000 -0.034 0.000 0.833 138 D CB -0.419 40.362 40.800 -0.032 0.000 0.954 138 D HN 0.418 nan 8.370 nan 0.000 0.455 139 T N 0.931 115.418 114.554 -0.112 0.000 2.746 139 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 139 T C 2.040 176.487 174.700 -0.422 0.000 1.039 139 T CA 1.461 63.394 62.100 -0.279 0.000 1.142 139 T CB -0.238 68.450 68.868 -0.300 0.000 0.866 139 T HN 0.199 nan 8.240 nan 0.000 0.444 140 A N 1.025 123.743 122.820 -0.171 0.000 1.902 140 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 140 A C 2.588 180.132 177.584 -0.066 0.000 1.181 140 A CA 1.410 53.437 52.037 -0.016 0.000 0.623 140 A CB -1.066 18.093 19.000 0.264 0.000 0.818 140 A HN 0.348 nan 8.150 nan 0.000 0.443 141 V N 1.521 121.406 119.914 -0.048 0.000 2.287 141 V HA -0.219 3.900 4.120 -0.000 0.000 0.248 141 V C 1.798 177.845 176.094 -0.078 0.000 1.053 141 V CA 2.016 64.293 62.300 -0.038 0.000 1.027 141 V CB -1.067 30.740 31.823 -0.027 0.000 0.646 141 V HN 0.811 nan 8.190 nan 0.000 0.447 145 R N 1.325 121.813 120.500 -0.020 0.000 2.066 145 R HA 0.053 4.392 4.340 -0.000 0.000 0.232 145 R C 2.121 178.393 176.300 -0.048 0.000 1.131 145 R CA 1.384 57.466 56.100 -0.031 0.000 0.955 145 R CB -0.077 30.198 30.300 -0.042 0.000 0.851 145 R HN 0.285 nan 8.270 nan 0.000 0.432 146 L N 0.613 121.804 121.223 -0.054 0.000 2.017 146 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 146 L C 2.286 179.125 176.870 -0.052 0.000 1.073 146 L CA 1.291 56.094 54.840 -0.061 0.000 0.745 146 L CB -0.376 41.657 42.059 -0.044 0.000 0.894 146 L HN 0.220 nan 8.230 nan 0.000 0.432 147 L N -0.582 120.669 121.223 0.046 0.000 2.362 147 L HA -0.176 4.163 4.340 -0.000 0.000 0.219 147 L C 1.678 178.620 176.870 0.119 0.000 1.134 147 L CA 0.576 55.525 54.840 0.183 0.000 0.807 147 L CB -0.455 41.748 42.059 0.240 0.000 0.927 147 L HN 0.242 nan 8.230 nan 0.000 0.447 148 D N 0.666 121.076 120.400 0.017 0.000 2.378 148 D HA -0.128 4.512 4.640 -0.000 0.000 0.227 148 D C 2.053 178.294 176.300 -0.098 0.000 1.012 148 D CA 0.290 54.292 54.000 0.002 0.000 0.905 148 D CB 0.209 41.014 40.800 0.007 0.000 0.895 148 D HN 0.309 nan 8.370 nan 0.000 0.532 149 R N -0.897 119.427 120.500 -0.294 0.000 2.323 149 R HA 0.008 4.348 4.340 -0.000 0.000 0.198 149 R C 0.464 176.474 176.300 -0.482 0.000 0.988 149 R CA 0.684 56.529 56.100 -0.425 0.000 1.041 149 R CB -0.403 29.553 30.300 -0.573 0.000 0.926 149 R HN 0.076 nan 8.270 nan 0.000 0.476 150 F N 1.195 121.153 119.950 0.014 0.000 2.639 150 F HA 0.261 4.788 4.527 0.000 0.000 0.302 150 F C -0.352 175.454 175.800 0.010 0.000 1.097 150 F CA -0.883 57.124 58.000 0.012 0.000 1.294 150 F CB 0.008 39.017 39.000 0.014 0.000 1.027 150 F HN 0.066 nan 8.300 nan 0.000 0.550 151 E N 1.577 121.842 120.200 0.108 0.000 3.439 151 E HA -0.193 4.157 4.350 -0.000 0.000 0.149 151 E C -1.174 175.476 176.600 0.083 0.000 1.846 151 E CA 0.106 56.552 56.400 0.077 0.000 0.770 151 E CB -1.103 28.637 29.700 0.067 0.000 1.082 151 E HN 0.403 nan 8.360 nan 0.000 0.357 152 L N 3.387 124.656 121.223 0.077 0.000 2.350 152 L HA 0.273 4.613 4.340 -0.000 0.000 0.275 152 L C 1.847 178.741 176.870 0.040 0.000 1.099 152 L CA 0.032 54.906 54.840 0.058 0.000 0.808 152 L CB 1.204 43.309 42.059 0.078 0.000 1.149 152 L HN 0.609 nan 8.230 nan 0.000 0.442 153 E N 2.748 122.935 120.200 -0.021 0.000 2.051 153 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 153 E C -0.817 175.831 176.600 0.080 0.000 0.979 153 E CA 0.902 57.297 56.400 -0.007 0.000 0.803 153 E CB 0.404 30.026 29.700 -0.129 0.000 0.761 153 E HN 0.563 nan 8.360 nan 0.000 0.451 154 Y N -3.499 116.802 120.300 0.001 0.000 2.702 154 Y HA 0.490 5.040 4.550 -0.001 0.000 0.336 154 Y C -1.527 174.366 175.900 -0.011 0.000 1.203 154 Y CA -1.591 56.493 58.100 -0.026 0.000 1.072 154 Y CB 0.895 39.286 38.460 -0.115 0.000 1.327 154 Y HN -0.296 nan 8.280 nan 0.000 0.456 155 V N 2.001 122.095 119.914 0.300 0.000 2.357 155 V HA 0.365 4.485 4.120 -0.000 0.000 0.284 155 V C -0.404 175.799 176.094 0.183 0.000 1.018 155 V CA -0.691 61.733 62.300 0.206 0.000 0.841 155 V CB 1.258 33.181 31.823 0.166 0.000 0.991 155 V HN 0.797 nan 8.190 nan 0.000 0.437 156 E N 3.568 123.869 120.200 0.169 0.000 2.194 156 E HA 0.308 4.658 4.350 -0.000 0.000 0.284 156 E C 0.002 176.607 176.600 0.008 0.000 1.035 156 E CA -0.514 55.936 56.400 0.083 0.000 0.836 156 E CB 0.549 30.320 29.700 0.118 0.000 1.070 156 E HN 0.640 nan 8.360 nan 0.000 0.401 157 Q N 3.979 123.773 119.800 -0.011 0.000 2.439 157 Q HA -0.167 4.173 4.340 -0.000 0.000 0.361 157 Q C -1.994 173.988 176.000 -0.031 0.000 1.408 157 Q CA 0.620 56.409 55.803 -0.023 0.000 1.052 157 Q CB -0.217 28.498 28.738 -0.038 0.000 1.233 157 Q HN 0.509 nan 8.270 nan 0.000 0.347 158 P HA -0.095 nan 4.420 nan 0.000 0.218 158 P C -0.012 177.338 177.300 0.084 0.000 1.149 158 P CA 1.026 64.171 63.100 0.076 0.000 0.817 158 P CB 0.319 32.133 31.700 0.190 0.000 0.785 159 C N -1.579 117.760 119.300 0.064 0.000 2.913 159 C HA 0.702 5.161 4.460 -0.000 0.000 0.322 159 C C 2.151 177.155 174.990 0.023 0.000 1.292 159 C CA -0.062 58.995 59.018 0.065 0.000 1.649 159 C CB 1.101 28.891 27.740 0.083 0.000 2.139 159 C HN 0.130 nan 8.230 nan 0.000 0.475 160 A N 0.342 123.177 122.820 0.024 0.000 1.929 160 A HA 0.149 4.468 4.320 -0.000 0.000 0.216 160 A C 1.075 178.666 177.584 0.013 0.000 1.176 160 A CA 1.943 53.986 52.037 0.011 0.000 0.628 160 A CB -0.618 18.390 19.000 0.014 0.000 0.816 160 A HN 1.016 nan 8.150 nan 0.000 0.444 161 T N -5.065 109.500 114.554 0.019 0.000 2.950 161 T HA 0.494 4.844 4.350 -0.000 0.000 0.288 161 T C 0.908 175.617 174.700 0.015 0.000 1.035 161 T CA -0.068 62.042 62.100 0.016 0.000 1.028 161 T CB 1.514 70.392 68.868 0.017 0.000 1.109 161 T HN -0.018 nan 8.240 nan 0.000 0.514 162 V N 1.189 121.110 119.914 0.012 0.000 2.343 162 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 162 V C 2.391 178.493 176.094 0.013 0.000 1.051 162 V CA 2.093 64.399 62.300 0.010 0.000 1.036 162 V CB -0.825 31.003 31.823 0.007 0.000 0.654 162 V HN 0.886 nan 8.190 nan 0.000 0.451 163 D N -0.113 120.295 120.400 0.014 0.000 2.149 163 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 163 D C 2.225 178.536 176.300 0.019 0.000 0.990 163 D CA 1.368 55.377 54.000 0.015 0.000 0.839 163 D CB -0.164 40.645 40.800 0.015 0.000 0.948 163 D HN 0.579 nan 8.370 nan 0.000 0.460 164 E N -0.019 120.195 120.200 0.024 0.000 2.072 164 E HA -0.060 4.289 4.350 -0.000 0.000 0.191 164 E C 2.361 178.982 176.600 0.036 0.000 0.985 164 E CA 0.321 56.740 56.400 0.033 0.000 0.801 164 E CB -0.026 29.699 29.700 0.041 0.000 0.750 164 E HN 0.265 nan 8.360 nan 0.000 0.452 165 L N 0.634 121.875 121.223 0.030 0.000 2.046 165 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 165 L C 2.622 179.507 176.870 0.024 0.000 1.077 165 L CA 1.007 55.865 54.840 0.029 0.000 0.747 165 L CB -0.588 41.480 42.059 0.016 0.000 0.896 165 L HN 0.158 nan 8.230 nan 0.000 0.432 166 A N -0.386 122.445 122.820 0.019 0.000 1.933 166 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 166 A C 2.294 179.889 177.584 0.018 0.000 1.175 166 A CA 1.789 53.836 52.037 0.016 0.000 0.628 166 A CB -0.451 18.556 19.000 0.012 0.000 0.814 166 A HN 0.453 nan 8.150 nan 0.000 0.444 167 E N -0.343 119.870 120.200 0.021 0.000 2.107 167 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 167 E C 1.926 178.541 176.600 0.024 0.000 0.982 167 E CA 1.128 57.540 56.400 0.020 0.000 0.809 167 E CB -0.030 29.683 29.700 0.020 0.000 0.756 167 E HN 0.356 nan 8.360 nan 0.000 0.459 168 V N 1.086 121.020 119.914 0.033 0.000 2.343 168 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 168 V C 2.545 178.660 176.094 0.035 0.000 1.051 168 V CA 1.993 64.317 62.300 0.040 0.000 1.036 168 V CB -0.526 31.333 31.823 0.061 0.000 0.654 168 V HN 0.238 nan 8.190 nan 0.000 0.451 169 R N -0.059 120.460 120.500 0.032 0.000 2.127 169 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 169 R C 2.416 178.730 176.300 0.023 0.000 1.134 169 R CA 1.505 57.621 56.100 0.028 0.000 0.975 169 R CB -0.159 30.153 30.300 0.021 0.000 0.865 169 R HN 0.406 nan 8.270 nan 0.000 0.447 170 R N -0.644 119.868 120.500 0.020 0.000 2.236 170 R HA 0.033 4.372 4.340 -0.000 0.000 0.208 170 R C 1.679 177.987 176.300 0.015 0.000 1.036 170 R CA 0.773 56.882 56.100 0.016 0.000 1.001 170 R CB 0.176 30.483 30.300 0.013 0.000 0.896 170 R HN 0.191 nan 8.270 nan 0.000 0.464 171 R N 0.131 120.640 120.500 0.016 0.000 2.365 171 R HA 0.108 4.448 4.340 -0.000 0.000 0.223 171 R C 0.202 176.510 176.300 0.013 0.000 0.899 171 R CA 0.153 56.260 56.100 0.012 0.000 1.059 171 R CB 1.165 31.470 30.300 0.009 0.000 1.086 171 R HN -0.008 nan 8.270 nan 0.000 0.522 172 V N -3.319 116.608 119.914 0.021 0.000 2.960 172 V HA 0.394 4.513 4.120 -0.000 0.000 0.315 172 V C 0.655 176.766 176.094 0.029 0.000 1.087 172 V CA -0.741 61.574 62.300 0.025 0.000 0.982 172 V CB 2.046 33.891 31.823 0.036 0.000 1.039 172 V HN -0.118 nan 8.190 nan 0.000 0.437 173 S N 1.284 117.001 115.700 0.029 0.000 2.503 173 S HA 0.185 4.655 4.470 -0.000 0.000 0.217 173 S C 0.592 175.220 174.600 0.047 0.000 0.999 173 S CA 0.193 58.413 58.200 0.033 0.000 0.914 173 S CB -0.153 63.062 63.200 0.025 0.000 0.782 173 S HN 0.699 nan 8.310 nan 0.000 0.520 174 V N 3.978 123.926 119.914 0.055 0.000 2.508 174 V HA 0.295 4.415 4.120 -0.000 0.000 0.281 174 V C -2.221 173.924 176.094 0.086 0.000 1.041 174 V CA -1.767 60.579 62.300 0.076 0.000 1.016 174 V CB 0.523 32.397 31.823 0.085 0.000 0.984 174 V HN 0.279 nan 8.190 nan 0.000 0.478 175 P HA 0.143 nan 4.420 nan 0.000 0.267 175 P C -0.648 176.700 177.300 0.081 0.000 1.200 175 P CA 0.099 63.252 63.100 0.089 0.000 0.772 175 P CB 0.362 32.136 31.700 0.123 0.000 0.855 176 I N 1.658 122.238 120.570 0.016 0.000 2.441 176 I HA 0.545 4.715 4.170 -0.000 0.000 0.295 176 I C 0.260 176.304 176.117 -0.123 0.000 0.994 176 I CA -1.029 60.266 61.300 -0.008 0.000 1.144 176 I CB 1.210 39.216 38.000 0.010 0.000 1.314 176 I HN 0.308 nan 8.210 nan 0.000 0.445 177 A N 4.859 127.575 122.820 -0.173 0.000 2.337 177 A HA 0.878 5.197 4.320 -0.000 0.000 0.329 177 A C -0.345 177.148 177.584 -0.151 0.000 1.146 177 A CA -0.588 51.265 52.037 -0.306 0.000 0.800 177 A CB 1.387 20.012 19.000 -0.625 0.000 1.220 177 A HN 0.804 nan 8.150 nan 0.000 0.472 178 A N 1.380 124.121 122.820 -0.133 0.000 2.292 178 A HA 0.619 4.938 4.320 -0.000 0.000 0.319 178 A C 0.076 177.620 177.584 -0.067 0.000 1.206 178 A CA -0.129 51.863 52.037 -0.074 0.000 0.835 178 A CB 0.825 19.792 19.000 -0.054 0.000 1.164 178 A HN 0.874 nan 8.150 nan 0.000 0.505 179 D N 0.355 120.730 120.400 -0.041 0.000 3.137 179 D HA -0.014 4.626 4.640 -0.000 0.000 0.236 179 D C 1.496 177.789 176.300 -0.011 0.000 1.557 179 D CA 0.727 54.711 54.000 -0.026 0.000 1.305 179 D CB 0.144 40.936 40.800 -0.014 0.000 1.065 179 D HN 0.453 nan 8.370 nan 0.000 0.290 180 E N 0.750 120.947 120.200 -0.005 0.000 2.204 180 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 180 E C 1.861 178.461 176.600 0.001 0.000 0.990 180 E CA 0.666 57.069 56.400 0.005 0.000 0.821 180 E CB -0.510 29.193 29.700 0.005 0.000 0.750 180 E HN 0.093 nan 8.360 nan 0.000 0.477 181 S N 0.225 115.921 115.700 -0.006 0.000 2.515 181 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 181 S C 1.689 176.286 174.600 -0.004 0.000 0.987 181 S CA 0.333 58.531 58.200 -0.004 0.000 0.936 181 S CB 0.031 63.227 63.200 -0.007 0.000 0.766 181 S HN 0.201 nan 8.310 nan 0.000 0.528 182 I N 1.467 122.032 120.570 -0.008 0.000 2.947 182 I HA 0.054 4.224 4.170 -0.000 0.000 0.263 182 I C 2.328 178.443 176.117 -0.004 0.000 1.130 182 I CA 0.852 62.147 61.300 -0.009 0.000 1.448 182 I CB -0.773 37.215 38.000 -0.021 0.000 1.222 182 I HN 0.323 nan 8.210 nan 0.000 0.453 183 R N 1.172 121.670 120.500 -0.004 0.000 2.210 183 R HA 0.099 4.439 4.340 -0.000 0.000 0.203 183 R C 0.758 177.067 176.300 0.014 0.000 1.010 183 R CA 0.472 56.571 56.100 -0.002 0.000 1.008 183 R CB -0.027 30.267 30.300 -0.010 0.000 0.923 183 R HN 0.168 nan 8.270 nan 0.000 0.469 184 R N 1.065 121.572 120.500 0.012 0.000 2.881 184 R HA 0.439 4.779 4.340 -0.000 0.000 0.331 184 R C -1.115 175.192 176.300 0.012 0.000 1.207 184 R CA -0.166 55.938 56.100 0.008 0.000 1.265 184 R CB 1.824 32.123 30.300 -0.002 0.000 1.351 184 R HN 0.171 nan 8.270 nan 0.000 0.613 185 A N 0.180 123.010 122.820 0.017 0.000 2.498 185 A HA 0.363 4.683 4.320 -0.000 0.000 0.298 185 A C 0.420 178.017 177.584 0.023 0.000 1.075 185 A CA -0.702 51.346 52.037 0.017 0.000 0.714 185 A CB 1.563 20.570 19.000 0.012 0.000 1.299 185 A HN 0.342 nan 8.150 nan 0.000 0.407 186 E N 0.184 120.397 120.200 0.021 0.000 2.077 186 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 186 E C -0.387 176.227 176.600 0.022 0.000 0.989 186 E CA 1.405 57.819 56.400 0.023 0.000 0.800 186 E CB 0.223 29.935 29.700 0.019 0.000 0.746 186 E HN 0.593 nan 8.360 nan 0.000 0.452 187 D N -1.063 119.348 120.400 0.018 0.000 2.420 187 D HA 0.138 4.777 4.640 -0.000 0.000 0.255 187 D C -2.193 174.114 176.300 0.013 0.000 1.185 187 D CA -2.379 51.630 54.000 0.016 0.000 0.904 187 D CB 1.349 42.157 40.800 0.013 0.000 1.102 187 D HN -0.256 nan 8.370 nan 0.000 0.534 188 P HA -0.038 nan 4.420 nan 0.000 0.218 188 P C 1.525 178.828 177.300 0.005 0.000 1.148 188 P CA 0.706 63.812 63.100 0.009 0.000 0.822 188 P CB 0.322 32.028 31.700 0.011 0.000 0.784 189 L N -1.253 119.974 121.223 0.007 0.000 2.549 189 L HA -0.047 4.292 4.340 -0.000 0.000 0.229 189 L C 2.376 179.249 176.870 0.004 0.000 1.158 189 L CA 0.727 55.570 54.840 0.006 0.000 0.842 189 L CB -0.521 41.542 42.059 0.008 0.000 0.952 189 L HN -0.041 nan 8.230 nan 0.000 0.452 190 R N -0.437 120.066 120.500 0.005 0.000 2.193 190 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 190 R C 2.193 178.494 176.300 0.002 0.000 1.110 190 R CA 0.829 56.931 56.100 0.005 0.000 0.988 190 R CB -0.202 30.101 30.300 0.006 0.000 0.871 190 R HN 0.229 nan 8.270 nan 0.000 0.458 191 V N 0.894 120.808 119.914 -0.001 0.000 2.343 191 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 191 V C 2.526 178.617 176.094 -0.005 0.000 1.051 191 V CA 1.834 64.131 62.300 -0.005 0.000 1.036 191 V CB -0.546 31.270 31.823 -0.012 0.000 0.654 191 V HN 0.344 nan 8.190 nan 0.000 0.451 192 R N 0.143 120.641 120.500 -0.003 0.000 2.055 192 R HA -0.150 4.189 4.340 -0.000 0.000 0.228 192 R C 2.072 178.373 176.300 0.002 0.000 1.143 192 R CA 1.985 58.084 56.100 -0.001 0.000 0.945 192 R CB -0.467 29.833 30.300 0.000 0.000 0.841 192 R HN 0.447 nan 8.270 nan 0.000 0.429 193 D N 0.615 121.016 120.400 0.003 0.000 2.158 193 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 193 D C 1.423 177.726 176.300 0.004 0.000 0.995 193 D CA 1.725 55.728 54.000 0.004 0.000 0.846 193 D CB -0.152 40.651 40.800 0.005 0.000 0.941 193 D HN 0.438 nan 8.370 nan 0.000 0.456 194 A N 0.032 122.854 122.820 0.004 0.000 2.251 194 A HA -0.007 4.313 4.320 -0.000 0.000 0.209 194 A C 0.481 178.068 177.584 0.005 0.000 1.187 194 A CA 0.093 52.133 52.037 0.005 0.000 0.823 194 A CB 0.037 19.040 19.000 0.006 0.000 0.846 194 A HN -0.024 nan 8.150 nan 0.000 0.486 195 E N -1.649 118.553 120.200 0.003 0.000 2.228 195 E HA -0.258 4.092 4.350 -0.000 0.000 0.213 195 E C 0.685 177.286 176.600 0.002 0.000 1.282 195 E CA 0.678 57.079 56.400 0.003 0.000 0.707 195 E CB -1.565 28.138 29.700 0.005 0.000 1.150 195 E HN 0.727 nan 8.360 nan 0.000 0.362 196 A N -0.624 122.196 122.820 -0.001 0.000 2.308 196 A HA 0.552 4.872 4.320 -0.000 0.000 0.217 196 A C 0.750 178.329 177.584 -0.008 0.000 1.216 196 A CA 0.915 52.951 52.037 -0.000 0.000 0.864 196 A CB 0.552 19.552 19.000 0.001 0.000 0.902 196 A HN 0.555 nan 8.150 nan 0.000 0.499 197 A N -1.163 121.647 122.820 -0.017 0.000 2.612 197 A HA 0.566 4.886 4.320 -0.000 0.000 0.293 197 A C -0.540 177.021 177.584 -0.037 0.000 1.075 197 A CA -0.286 51.729 52.037 -0.036 0.000 0.680 197 A CB 0.525 19.489 19.000 -0.059 0.000 1.279 197 A HN 0.021 nan 8.150 nan 0.000 0.411 198 D N -0.389 119.977 120.400 -0.056 0.000 2.388 198 D HA 0.225 4.865 4.640 -0.000 0.000 0.208 198 D C -0.056 176.204 176.300 -0.068 0.000 1.035 198 D CA 1.169 55.148 54.000 -0.036 0.000 0.875 198 D CB 0.961 41.754 40.800 -0.011 0.000 0.984 198 D HN 0.241 nan 8.370 nan 0.000 0.508 199 V N 1.314 121.124 119.914 -0.172 0.000 2.841 199 V HA 0.303 4.422 4.120 -0.000 0.000 0.310 199 V C -0.256 175.709 176.094 -0.215 0.000 1.090 199 V CA -0.866 61.289 62.300 -0.242 0.000 0.930 199 V CB 2.993 34.445 31.823 -0.618 0.000 1.014 199 V HN -0.280 nan 8.190 nan 0.000 0.425 200 V N 4.276 124.107 119.914 -0.138 0.000 2.417 200 V HA 0.464 4.583 4.120 -0.000 0.000 0.291 200 V C -0.165 175.870 176.094 -0.099 0.000 1.024 200 V CA -0.581 61.659 62.300 -0.101 0.000 0.861 200 V CB 1.952 33.745 31.823 -0.051 0.000 0.985 200 V HN 0.633 nan 8.190 nan 0.000 0.436 201 V N 6.858 126.715 119.914 -0.095 0.000 2.465 201 V HA 0.460 4.580 4.120 -0.000 0.000 0.279 201 V C -0.123 175.946 176.094 -0.042 0.000 1.045 201 V CA -0.385 61.876 62.300 -0.065 0.000 0.938 201 V CB 1.425 33.215 31.823 -0.054 0.000 0.986 201 V HN 0.615 nan 8.190 nan 0.000 0.467 202 L N 5.572 126.774 121.223 -0.034 0.000 2.333 202 L HA 0.620 4.960 4.340 -0.000 0.000 0.280 202 L C -0.260 176.577 176.870 -0.055 0.000 1.004 202 L CA -0.587 54.226 54.840 -0.044 0.000 0.820 202 L CB 1.672 43.705 42.059 -0.043 0.000 1.247 202 L HN 0.517 nan 8.230 nan 0.000 0.416 203 K N 2.134 122.487 120.400 -0.079 0.000 2.376 203 K HA 0.343 4.663 4.320 -0.000 0.000 0.257 203 K C 0.570 177.065 176.600 -0.176 0.000 0.939 203 K CA -0.671 55.551 56.287 -0.108 0.000 0.809 203 K CB 2.872 35.316 32.500 -0.094 0.000 1.121 203 K HN 0.291 nan 8.250 nan 0.000 0.425 204 V N 2.589 122.394 119.914 -0.181 0.000 2.231 204 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 204 V C 2.183 178.112 176.094 -0.275 0.000 1.054 204 V CA 1.781 63.961 62.300 -0.200 0.000 1.015 204 V CB -0.405 31.306 31.823 -0.187 0.000 0.638 204 V HN 0.780 nan 8.190 nan 0.000 0.444 205 Q N -0.620 118.945 119.800 -0.391 0.000 2.020 205 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 205 Q C 0.212 175.624 176.000 -0.980 0.000 0.982 205 Q CA 2.193 57.633 55.803 -0.604 0.000 0.838 205 Q CB -1.252 27.062 28.738 -0.706 0.000 0.899 205 Q HN 0.535 nan 8.270 nan 0.000 0.423 206 P HA -0.148 nan 4.420 nan 0.000 0.218 206 P C 0.781 177.883 177.300 -0.330 0.000 1.148 206 P CA 1.212 63.825 63.100 -0.812 0.000 0.822 206 P CB 0.021 31.473 31.700 -0.413 0.000 0.784 207 L N -2.896 118.172 121.223 -0.259 0.000 2.591 207 L HA 0.270 4.610 4.340 -0.000 0.000 0.228 207 L C 1.309 178.131 176.870 -0.079 0.000 1.133 207 L CA 0.614 55.385 54.840 -0.115 0.000 0.880 207 L CB -0.763 41.242 42.059 -0.090 0.000 1.033 207 L HN 0.119 nan 8.230 nan 0.000 0.450 208 G N -0.024 108.685 108.800 -0.152 0.000 2.130 208 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.216 208 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.216 208 G C 0.473 175.286 174.900 -0.146 0.000 0.999 208 G CA -0.055 44.944 45.100 -0.168 0.000 0.686 208 G HN 0.821 nan 8.290 nan 0.000 0.515 209 G N -2.893 105.835 108.800 -0.119 0.000 2.479 209 G HA2 0.225 4.184 3.960 -0.000 0.000 0.686 209 G HA3 0.225 4.184 3.960 -0.000 0.000 0.686 209 G C 0.624 175.498 174.900 -0.043 0.000 1.295 209 G CA 0.056 45.122 45.100 -0.058 0.000 0.922 209 G HN 1.222 nan 8.290 nan 0.000 0.582 210 V N 0.785 120.689 119.914 -0.016 0.000 2.307 210 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 210 V C 3.021 179.117 176.094 0.003 0.000 1.045 210 V CA 2.750 65.020 62.300 -0.050 0.000 1.024 210 V CB -0.688 31.082 31.823 -0.087 0.000 0.651 210 V HN 0.717 nan 8.190 nan 0.000 0.449 211 R N 0.204 120.735 120.500 0.052 0.000 2.081 211 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 211 R C 2.451 178.777 176.300 0.042 0.000 1.131 211 R CA 1.485 57.617 56.100 0.053 0.000 0.960 211 R CB -0.628 29.716 30.300 0.074 0.000 0.856 211 R HN 0.537 nan 8.270 nan 0.000 0.436 212 A N 1.286 124.132 122.820 0.044 0.000 1.902 212 A HA -0.105 4.214 4.320 -0.000 0.000 0.217 212 A C 2.372 179.968 177.584 0.020 0.000 1.181 212 A CA 1.679 53.745 52.037 0.049 0.000 0.623 212 A CB -0.571 18.465 19.000 0.061 0.000 0.818 212 A HN 0.398 nan 8.150 nan 0.000 0.443 213 A N -0.327 122.489 122.820 -0.007 0.000 1.930 213 A HA 0.004 4.323 4.320 -0.000 0.000 0.217 213 A C 2.145 179.721 177.584 -0.012 0.000 1.175 213 A CA 1.408 53.432 52.037 -0.023 0.000 0.627 213 A CB -0.565 18.403 19.000 -0.054 0.000 0.815 213 A HN 0.467 nan 8.150 nan 0.000 0.443 214 L N -1.117 120.102 121.223 -0.007 0.000 2.083 214 L HA -0.169 4.170 4.340 -0.000 0.000 0.209 214 L C 2.855 179.730 176.870 0.009 0.000 1.083 214 L CA 1.260 56.100 54.840 -0.000 0.000 0.752 214 L CB -0.442 41.620 42.059 0.006 0.000 0.899 214 L HN 0.349 nan 8.230 nan 0.000 0.433 215 R N -0.403 120.107 120.500 0.017 0.000 2.075 215 R HA -0.166 4.173 4.340 -0.000 0.000 0.232 215 R C 2.214 178.524 176.300 0.018 0.000 1.126 215 R CA 1.203 57.317 56.100 0.022 0.000 0.963 215 R CB -0.441 29.880 30.300 0.034 0.000 0.858 215 R HN 0.183 nan 8.270 nan 0.000 0.435 216 L N 0.736 121.967 121.223 0.015 0.000 2.093 216 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 216 L C 2.219 179.092 176.870 0.004 0.000 1.085 216 L CA 1.698 56.544 54.840 0.010 0.000 0.755 216 L CB -0.583 41.480 42.059 0.007 0.000 0.904 216 L HN 0.102 nan 8.230 nan 0.000 0.435 217 A N -0.744 122.077 122.820 0.001 0.000 1.908 217 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 217 A C 2.343 179.929 177.584 0.004 0.000 1.181 217 A CA 1.969 54.007 52.037 0.000 0.000 0.627 217 A CB -0.732 18.267 19.000 -0.001 0.000 0.818 217 A HN 0.616 nan 8.150 nan 0.000 0.445 218 E N -0.257 119.947 120.200 0.007 0.000 2.047 218 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 218 E C 1.936 178.541 176.600 0.008 0.000 0.987 218 E CA 1.311 57.716 56.400 0.008 0.000 0.799 218 E CB -0.142 29.564 29.700 0.010 0.000 0.752 218 E HN 0.753 nan 8.360 nan 0.000 0.449 219 E N -0.189 120.016 120.200 0.009 0.000 2.077 219 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 219 E C 2.252 178.856 176.600 0.007 0.000 0.989 219 E CA 1.191 57.597 56.400 0.009 0.000 0.800 219 E CB -0.132 29.575 29.700 0.011 0.000 0.746 219 E HN 0.359 nan 8.360 nan 0.000 0.452 220 C N 0.197 119.500 119.300 0.005 0.000 2.419 220 C HA -0.012 4.448 4.460 -0.000 0.000 0.281 220 C C 1.895 176.886 174.990 0.003 0.000 1.336 220 C CA 0.744 59.763 59.018 0.002 0.000 1.770 220 C CB -1.350 26.388 27.740 -0.003 0.000 1.929 220 C HN 0.756 nan 8.230 nan 0.000 0.509 221 G N 0.207 109.010 108.800 0.005 0.000 2.258 221 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.274 221 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.274 221 G C -0.141 174.764 174.900 0.008 0.000 1.021 221 G CA 0.442 45.546 45.100 0.006 0.000 0.798 221 G HN 0.558 nan 8.290 nan 0.000 0.507 222 L N -0.916 120.312 121.223 0.007 0.000 2.323 222 L HA 0.553 4.893 4.340 -0.000 0.000 0.265 222 L C -2.044 174.840 176.870 0.023 0.000 1.012 222 L CA -2.656 52.191 54.840 0.011 0.000 0.820 222 L CB 1.976 44.034 42.059 -0.002 0.000 1.334 222 L HN -0.169 nan 8.230 nan 0.000 0.427 223 P HA 0.110 nan 4.420 nan 0.000 0.267 223 P C -1.150 176.202 177.300 0.088 0.000 1.200 223 P CA -0.169 62.985 63.100 0.091 0.000 0.772 223 P CB 0.718 32.523 31.700 0.175 0.000 0.855 224 V N 0.629 120.605 119.914 0.104 0.000 3.074 224 V HA 0.828 4.948 4.120 -0.000 0.000 0.314 224 V C -0.790 175.382 176.094 0.131 0.000 1.117 224 V CA -0.997 61.344 62.300 0.068 0.000 1.014 224 V CB 2.234 34.073 31.823 0.027 0.000 1.057 224 V HN 0.379 nan 8.190 nan 0.000 0.438 225 V N 1.859 121.812 119.914 0.064 0.000 2.971 225 V HA 0.784 4.904 4.120 -0.000 0.000 0.309 225 V C -0.913 175.204 176.094 0.038 0.000 1.130 225 V CA -0.327 62.031 62.300 0.097 0.000 0.964 225 V CB 2.411 34.293 31.823 0.099 0.000 1.029 225 V HN 0.983 nan 8.190 nan 0.000 0.427 226 V N 5.189 125.126 119.914 0.038 0.000 2.547 226 V HA 0.893 5.012 4.120 -0.000 0.000 0.299 226 V C 0.002 176.104 176.094 0.013 0.000 1.040 226 V CA 0.064 62.365 62.300 0.002 0.000 0.913 226 V CB 1.902 33.709 31.823 -0.026 0.000 0.992 226 V HN 1.150 nan 8.190 nan 0.000 0.449 227 S N 1.656 117.359 115.700 0.004 0.000 2.607 227 S HA 0.744 5.214 4.470 -0.000 0.000 0.273 227 S C -0.439 174.171 174.600 0.017 0.000 1.148 227 S CA -0.402 57.813 58.200 0.024 0.000 0.833 227 S CB 1.806 65.039 63.200 0.055 0.000 1.130 227 S HN 1.055 nan 8.310 nan 0.000 0.470 228 S N 0.262 115.988 115.700 0.043 0.000 2.713 228 S HA 0.768 5.238 4.470 -0.000 0.000 0.277 228 S C 0.437 175.118 174.600 0.134 0.000 1.168 228 S CA -0.402 57.831 58.200 0.055 0.000 0.994 228 S CB 1.067 64.298 63.200 0.052 0.000 1.054 228 S HN 1.817 nan 8.310 nan 0.000 0.555 229 A N 0.146 123.067 122.820 0.169 0.000 2.701 229 A HA 0.587 4.906 4.320 -0.000 0.000 0.297 229 A C 0.453 178.268 177.584 0.385 0.000 1.197 229 A CA -0.479 51.765 52.037 0.345 0.000 0.963 229 A CB -0.857 18.332 19.000 0.316 0.000 1.175 229 A HN 1.594 nan 8.150 nan 0.000 0.531 230 V N -0.083 119.999 119.914 0.280 0.000 5.820 230 V HA -0.246 3.874 4.120 -0.000 0.000 0.300 230 V C 0.324 176.520 176.094 0.170 0.000 0.585 230 V CA 1.552 63.992 62.300 0.232 0.000 0.629 230 V CB -2.622 29.417 31.823 0.361 0.000 0.291 230 V HN 0.794 nan 8.190 nan 0.000 0.887 231 E N 0.593 120.857 120.200 0.107 0.000 2.322 231 E HA 0.635 4.985 4.350 -0.000 0.000 0.257 231 E C 0.989 177.579 176.600 -0.016 0.000 1.155 231 E CA 0.172 56.613 56.400 0.068 0.000 0.936 231 E CB 0.529 30.267 29.700 0.063 0.000 1.130 231 E HN 0.714 nan 8.360 nan 0.000 0.465 232 T N -2.287 112.206 114.554 -0.102 0.000 2.729 232 T HA 0.098 4.448 4.350 -0.000 0.000 0.298 232 T C 1.125 175.748 174.700 -0.129 0.000 1.013 232 T CA -0.362 61.615 62.100 -0.205 0.000 0.957 232 T CB 0.713 69.321 68.868 -0.433 0.000 1.130 232 T HN 0.203 nan 8.240 nan 0.000 0.526 233 S N -0.373 115.241 115.700 -0.142 0.000 2.419 233 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 233 S C 2.102 176.672 174.600 -0.050 0.000 1.019 233 S CA 0.905 59.050 58.200 -0.091 0.000 0.982 233 S CB -0.703 62.437 63.200 -0.100 0.000 0.789 233 S HN 0.532 nan 8.310 nan 0.000 0.490 234 V N 1.387 121.261 119.914 -0.067 0.000 2.295 234 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 234 V C 2.600 178.751 176.094 0.095 0.000 1.049 234 V CA 2.046 64.364 62.300 0.031 0.000 1.024 234 V CB -1.361 30.470 31.823 0.013 0.000 0.648 234 V HN 0.582 nan 8.190 nan 0.000 0.447 235 G N -0.660 108.171 108.800 0.052 0.000 2.403 235 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 235 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 235 G C 1.577 176.477 174.900 0.000 0.000 1.154 235 G CA 0.555 45.693 45.100 0.063 0.000 0.784 235 G HN 0.456 nan 8.290 nan 0.000 0.538 236 L N 0.717 121.928 121.223 -0.021 0.000 2.131 236 L HA -0.032 4.308 4.340 -0.000 0.000 0.210 236 L C 3.351 180.163 176.870 -0.096 0.000 1.092 236 L CA 0.788 55.596 54.840 -0.054 0.000 0.759 236 L CB -0.328 41.702 42.059 -0.048 0.000 0.903 236 L HN 0.299 nan 8.230 nan 0.000 0.435 237 A N 0.184 122.970 122.820 -0.057 0.000 1.978 237 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 237 A C 2.528 179.849 177.584 -0.439 0.000 1.170 237 A CA 1.763 53.749 52.037 -0.085 0.000 0.636 237 A CB -0.554 18.539 19.000 0.156 0.000 0.810 237 A HN 0.411 nan 8.150 nan 0.000 0.448 238 A N -0.598 121.954 122.820 -0.448 0.000 1.929 238 A HA 0.197 4.516 4.320 -0.000 0.000 0.216 238 A C 2.378 179.582 177.584 -0.633 0.000 1.176 238 A CA 1.716 53.228 52.037 -0.874 0.000 0.628 238 A CB -1.242 17.588 19.000 -0.283 0.000 0.816 238 A HN 0.682 nan 8.150 nan 0.000 0.444 239 G N -0.533 108.063 108.800 -0.339 0.000 2.402 239 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 239 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 239 G C 1.487 176.244 174.900 -0.239 0.000 1.162 239 G CA 1.194 46.151 45.100 -0.238 0.000 0.777 239 G HN 0.294 nan 8.290 nan 0.000 0.539 240 V N 1.514 121.283 119.914 -0.242 0.000 2.407 240 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 240 V C 3.312 179.263 176.094 -0.237 0.000 1.055 240 V CA 1.925 64.113 62.300 -0.187 0.000 1.049 240 V CB -0.727 31.013 31.823 -0.138 0.000 0.662 240 V HN 0.472 nan 8.190 nan 0.000 0.455 241 A N -0.110 122.451 122.820 -0.431 0.000 1.902 241 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 241 A C 2.160 179.560 177.584 -0.306 0.000 1.181 241 A CA 2.151 53.921 52.037 -0.445 0.000 0.623 241 A CB -0.541 17.831 19.000 -1.045 0.000 0.818 241 A HN 0.471 nan 8.150 nan 0.000 0.443 242 L N -0.270 120.752 121.223 -0.335 0.000 2.027 242 L HA 0.002 4.342 4.340 -0.000 0.000 0.206 242 L C 2.628 179.426 176.870 -0.121 0.000 1.074 242 L CA 2.278 56.998 54.840 -0.200 0.000 0.745 242 L CB -0.880 41.064 42.059 -0.191 0.000 0.898 242 L HN 0.313 nan 8.230 nan 0.000 0.433 243 A N -0.308 122.442 122.820 -0.116 0.000 1.940 243 A HA -0.107 4.212 4.320 -0.000 0.000 0.219 243 A C 2.382 179.935 177.584 -0.052 0.000 1.176 243 A CA 1.790 53.787 52.037 -0.066 0.000 0.631 243 A CB -1.176 17.790 19.000 -0.057 0.000 0.814 243 A HN 0.602 nan 8.150 nan 0.000 0.446 244 A N -1.005 121.776 122.820 -0.065 0.000 2.119 244 A HA 0.393 4.713 4.320 -0.000 0.000 0.217 244 A C 2.079 179.648 177.584 -0.024 0.000 1.153 244 A CA 1.461 53.474 52.037 -0.039 0.000 0.692 244 A CB -0.456 18.521 19.000 -0.037 0.000 0.799 244 A HN 1.006 nan 8.150 nan 0.000 0.458 245 A N -0.937 121.864 122.820 -0.032 0.000 2.303 245 A HA 0.506 4.825 4.320 -0.000 0.000 0.217 245 A C 0.738 178.316 177.584 -0.011 0.000 1.205 245 A CA -0.306 51.724 52.037 -0.012 0.000 0.875 245 A CB -0.139 18.857 19.000 -0.006 0.000 0.910 245 A HN 0.381 nan 8.150 nan 0.000 0.501 246 L N 0.087 121.300 121.223 -0.017 0.000 2.439 246 L HA 0.140 4.479 4.340 -0.000 0.000 0.269 246 L C -1.261 175.606 176.870 -0.006 0.000 1.179 246 L CA -1.523 53.311 54.840 -0.010 0.000 0.828 246 L CB 0.618 42.671 42.059 -0.010 0.000 1.106 246 L HN 0.075 nan 8.230 nan 0.000 0.467 247 P HA -0.172 nan 4.420 nan 0.000 0.216 247 P C -0.682 176.614 177.300 -0.007 0.000 1.157 247 P CA 1.346 64.445 63.100 -0.003 0.000 0.880 247 P CB 0.202 31.901 31.700 -0.002 0.000 0.791 248 E N -2.200 117.994 120.200 -0.009 0.000 2.412 248 E HA 0.438 4.788 4.350 -0.000 0.000 0.279 248 E C -1.376 175.215 176.600 -0.014 0.000 0.984 248 E CA -0.814 55.576 56.400 -0.016 0.000 0.788 248 E CB 0.760 30.446 29.700 -0.024 0.000 1.277 248 E HN -0.171 nan 8.360 nan 0.000 0.455 249 L N 2.566 123.776 121.223 -0.021 0.000 2.408 249 L HA 0.339 4.678 4.340 -0.000 0.000 0.257 249 L C -1.643 175.193 176.870 -0.057 0.000 1.053 249 L CA -1.517 53.317 54.840 -0.010 0.000 0.922 249 L CB 1.163 43.226 42.059 0.007 0.000 1.261 249 L HN 0.562 nan 8.230 nan 0.000 0.458 250 P HA -0.090 nan 4.420 nan 0.000 0.223 250 P C -0.347 176.675 177.300 -0.463 0.000 1.151 250 P CA 0.989 63.879 63.100 -0.350 0.000 0.787 250 P CB 0.185 31.577 31.700 -0.513 0.000 0.788 251 Y N 0.031 120.368 120.300 0.061 0.000 2.409 251 Y HA 0.562 5.112 4.550 -0.000 0.000 0.343 251 Y C 0.672 176.610 175.900 0.063 0.000 0.973 251 Y CA -1.670 56.485 58.100 0.091 0.000 1.064 251 Y CB 1.158 39.724 38.460 0.178 0.000 1.207 251 Y HN -0.092 nan 8.280 nan 0.000 0.452 252 A N 1.653 124.599 122.820 0.209 0.000 2.483 252 A HA 0.325 4.644 4.320 -0.000 0.000 0.238 252 A C -0.295 177.363 177.584 0.123 0.000 1.070 252 A CA -0.263 51.843 52.037 0.116 0.000 0.770 252 A CB -0.278 18.768 19.000 0.076 0.000 1.008 252 A HN 0.881 nan 8.150 nan 0.000 0.497 253 C N 1.182 120.528 119.300 0.075 0.000 2.370 253 C HA 0.580 5.040 4.460 -0.000 0.000 0.354 253 C C 1.527 176.541 174.990 0.039 0.000 1.218 253 C CA -0.063 58.991 59.018 0.060 0.000 2.154 253 C CB 0.880 28.639 27.740 0.031 0.000 2.391 253 C HN 1.005 nan 8.230 nan 0.000 0.540 254 G N 2.001 110.827 108.800 0.044 0.000 3.316 254 G HA2 0.353 4.312 3.960 -0.000 0.000 0.255 254 G HA3 0.353 4.312 3.960 -0.000 0.000 0.255 254 G C 0.343 175.253 174.900 0.017 0.000 0.880 254 G CA -0.017 45.104 45.100 0.035 0.000 1.956 254 G HN 0.804 nan 8.290 nan 0.000 0.634 255 L N 0.554 121.776 121.223 -0.001 0.000 2.857 255 L HA 0.292 4.632 4.340 -0.000 0.000 0.249 255 L C 1.668 178.521 176.870 -0.028 0.000 1.172 255 L CA -0.228 54.601 54.840 -0.018 0.000 0.980 255 L CB 0.831 42.872 42.059 -0.031 0.000 1.299 255 L HN 0.355 nan 8.230 nan 0.000 0.535 256 A N 0.024 122.826 122.820 -0.030 0.000 3.181 256 A HA 0.283 4.603 4.320 -0.000 0.000 0.293 256 A C 1.322 178.866 177.584 -0.068 0.000 1.346 256 A CA 0.069 52.079 52.037 -0.044 0.000 1.018 256 A CB -0.741 18.237 19.000 -0.038 0.000 1.093 256 A HN 0.324 nan 8.150 nan 0.000 0.629 257 T N -3.452 111.062 114.554 -0.066 0.000 3.040 257 T HA 0.057 4.406 4.350 -0.000 0.000 0.250 257 T C 1.432 176.082 174.700 -0.085 0.000 1.058 257 T CA 0.259 62.300 62.100 -0.098 0.000 0.988 257 T CB -0.259 68.569 68.868 -0.066 0.000 0.993 257 T HN 0.185 nan 8.240 nan 0.000 0.519 258 L N 2.696 123.878 121.223 -0.068 0.000 2.191 258 L HA 0.042 4.382 4.340 -0.000 0.000 0.212 258 L C 2.644 179.470 176.870 -0.074 0.000 1.103 258 L CA 1.559 56.358 54.840 -0.068 0.000 0.769 258 L CB -0.517 41.498 42.059 -0.072 0.000 0.908 258 L HN 0.394 nan 8.230 nan 0.000 0.438 259 R N -0.965 119.486 120.500 -0.081 0.000 2.241 259 R HA -0.126 4.214 4.340 -0.000 0.000 0.224 259 R C 1.816 178.070 176.300 -0.076 0.000 1.101 259 R CA 1.442 57.495 56.100 -0.078 0.000 0.995 259 R CB -0.841 29.413 30.300 -0.077 0.000 0.870 259 R HN 0.401 nan 8.270 nan 0.000 0.463 260 L N 1.004 122.168 121.223 -0.098 0.000 2.395 260 L HA 0.117 4.457 4.340 -0.000 0.000 0.218 260 L C 0.835 177.694 176.870 -0.019 0.000 1.130 260 L CA 0.268 55.050 54.840 -0.095 0.000 0.826 260 L CB -0.179 41.764 42.059 -0.193 0.000 0.941 260 L HN 0.141 nan 8.230 nan 0.000 0.451 261 L N -0.905 120.309 121.223 -0.014 0.000 2.357 261 L HA 0.115 4.455 4.340 -0.000 0.000 0.273 261 L C 1.537 178.425 176.870 0.030 0.000 1.080 261 L CA -0.316 54.537 54.840 0.022 0.000 0.803 261 L CB 1.110 43.164 42.059 -0.008 0.000 1.174 261 L HN 0.075 nan 8.230 nan 0.000 0.443 262 H N 1.929 120.989 119.070 -0.016 0.000 2.502 262 H HA 0.186 4.743 4.556 0.002 0.000 0.283 262 H C 0.012 175.321 175.328 -0.031 0.000 1.015 262 H CA 0.825 56.862 56.048 -0.018 0.000 1.298 262 H CB 0.659 30.418 29.762 -0.005 0.000 1.411 262 H HN 0.697 nan 8.280 nan 0.000 0.556 263 A N 0.186 122.957 122.820 -0.082 0.000 2.599 263 A HA 0.430 4.750 4.320 -0.000 0.000 0.290 263 A C -1.628 175.885 177.584 -0.118 0.000 1.101 263 A CA -0.599 51.358 52.037 -0.134 0.000 0.674 263 A CB 2.057 21.012 19.000 -0.075 0.000 1.277 263 A HN 0.325 nan 8.150 nan 0.000 0.419 264 D N -1.365 118.950 120.400 -0.142 0.000 2.533 264 D HA 0.515 5.155 4.640 -0.000 0.000 0.247 264 D C 0.522 176.704 176.300 -0.197 0.000 1.056 264 D CA 0.467 54.361 54.000 -0.177 0.000 1.054 264 D CB 2.145 42.851 40.800 -0.156 0.000 1.400 264 D HN 0.907 nan 8.370 nan 0.000 0.533 265 V N -1.398 118.363 119.914 -0.255 0.000 3.444 265 V HA 0.404 4.524 4.120 -0.000 0.000 0.308 265 V C -0.112 175.834 176.094 -0.245 0.000 1.371 265 V CA -0.286 61.853 62.300 -0.269 0.000 1.141 265 V CB -0.966 30.632 31.823 -0.375 0.000 1.037 265 V HN 0.413 nan 8.190 nan 0.000 0.433 266 C N 0.627 119.810 119.300 -0.195 0.000 2.634 266 C HA 0.540 5.000 4.460 -0.000 0.000 0.313 266 C C 1.175 176.095 174.990 -0.116 0.000 1.198 266 C CA -0.415 58.507 59.018 -0.159 0.000 1.605 266 C CB 1.964 29.617 27.740 -0.145 0.000 2.196 266 C HN 0.457 nan 8.230 nan 0.000 0.486 267 D N 0.222 120.566 120.400 -0.093 0.000 2.269 267 D HA -0.045 4.594 4.640 -0.000 0.000 0.208 267 D C 0.218 176.478 176.300 -0.066 0.000 0.963 267 D CA 1.470 55.426 54.000 -0.073 0.000 0.864 267 D CB 0.129 40.895 40.800 -0.056 0.000 0.936 267 D HN 0.580 nan 8.370 nan 0.000 0.505 268 D N 1.022 121.383 120.400 -0.065 0.000 2.456 268 D HA 0.150 4.790 4.640 -0.000 0.000 0.287 268 D C -2.364 173.898 176.300 -0.064 0.000 1.186 268 D CA -1.716 52.250 54.000 -0.057 0.000 0.916 268 D CB 1.343 42.117 40.800 -0.042 0.000 1.029 268 D HN 0.024 nan 8.370 nan 0.000 0.498 269 P HA 0.028 nan 4.420 nan 0.000 0.268 269 P C 0.266 177.525 177.300 -0.068 0.000 1.208 269 P CA -0.314 62.738 63.100 -0.081 0.000 0.777 269 P CB 1.307 32.953 31.700 -0.091 0.000 0.875 270 L N 2.922 124.106 121.223 -0.066 0.000 2.384 270 L HA 0.187 4.527 4.340 -0.000 0.000 0.258 270 L C 0.311 177.146 176.870 -0.058 0.000 1.266 270 L CA -0.089 54.718 54.840 -0.055 0.000 1.162 270 L CB -0.754 41.276 42.059 -0.050 0.000 1.375 270 L HN 0.219 nan 8.230 nan 0.000 0.420 271 L N 3.648 124.836 121.223 -0.060 0.000 2.307 271 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 271 L C -2.027 174.809 176.870 -0.056 0.000 1.023 271 L CA -2.052 52.752 54.840 -0.060 0.000 0.810 271 L CB 1.571 43.591 42.059 -0.065 0.000 1.231 271 L HN 0.223 nan 8.230 nan 0.000 0.423 272 P HA 0.186 nan 4.420 nan 0.000 0.272 272 P C -1.108 176.159 177.300 -0.056 0.000 1.223 272 P CA -0.283 62.792 63.100 -0.042 0.000 0.784 272 P CB 0.961 32.644 31.700 -0.027 0.000 0.923 273 V N 3.548 123.421 119.914 -0.069 0.000 2.569 273 V HA 0.219 4.338 4.120 -0.000 0.000 0.301 273 V C -0.442 175.608 176.094 -0.074 0.000 1.044 273 V CA -0.552 61.658 62.300 -0.149 0.000 0.874 273 V CB 0.884 32.561 31.823 -0.244 0.000 1.002 273 V HN 0.678 nan 8.190 nan 0.000 0.424 274 H N 2.885 121.945 119.070 -0.017 0.000 2.791 274 H HA -0.184 4.372 4.556 -0.001 0.000 0.302 274 H C 1.475 176.795 175.328 -0.014 0.000 1.198 274 H CA 1.433 57.472 56.048 -0.014 0.000 1.145 274 H CB -1.380 28.374 29.762 -0.012 0.000 1.385 274 H HN 1.579 nan 8.280 nan 0.000 0.409 275 G N -1.534 107.322 108.800 0.093 0.000 2.179 275 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.257 275 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.257 275 G C 0.401 175.320 174.900 0.031 0.000 1.010 275 G CA 0.971 46.098 45.100 0.046 0.000 0.736 275 G HN 1.408 nan 8.290 nan 0.000 0.513 276 V N -3.284 116.645 119.914 0.026 0.000 3.114 276 V HA 0.893 5.012 4.120 -0.000 0.000 0.308 276 V C -0.116 175.973 176.094 -0.009 0.000 1.168 276 V CA -1.628 60.678 62.300 0.010 0.000 1.015 276 V CB 2.411 34.245 31.823 0.017 0.000 1.050 276 V HN 0.340 nan 8.190 nan 0.000 0.433 277 L N 3.494 124.708 121.223 -0.015 0.000 2.346 277 L HA 0.679 5.019 4.340 -0.000 0.000 0.274 277 L C -2.450 174.407 176.870 -0.021 0.000 1.007 277 L CA -1.873 52.953 54.840 -0.025 0.000 0.818 277 L CB 3.147 45.187 42.059 -0.031 0.000 1.284 277 L HN 0.563 nan 8.230 nan 0.000 0.424 278 P HA 0.119 nan 4.420 nan 0.000 0.282 278 P C -0.797 176.497 177.300 -0.010 0.000 1.249 278 P CA -0.364 62.728 63.100 -0.014 0.000 0.806 278 P CB 1.683 33.375 31.700 -0.014 0.000 0.984 279 V N 4.690 124.603 119.914 -0.002 0.000 2.356 279 V HA 0.292 4.412 4.120 -0.000 0.000 0.258 279 V C 0.913 177.026 176.094 0.033 0.000 1.065 279 V CA 0.125 62.429 62.300 0.006 0.000 0.935 279 V CB -0.885 30.941 31.823 0.006 0.000 1.061 279 V HN 0.704 nan 8.190 nan 0.000 0.484 280 R N 3.458 123.988 120.500 0.050 0.000 2.692 280 R HA 0.677 5.017 4.340 -0.000 0.000 0.269 280 R C -1.054 175.316 176.300 0.117 0.000 1.030 280 R CA -1.251 54.892 56.100 0.071 0.000 0.882 280 R CB 1.712 32.035 30.300 0.039 0.000 1.250 280 R HN 0.418 nan 8.270 nan 0.000 0.465 281 R N 0.716 121.292 120.500 0.127 0.000 2.594 281 R HA 0.340 4.680 4.340 -0.000 0.000 0.272 281 R C 0.273 176.637 176.300 0.105 0.000 1.074 281 R CA -0.536 55.656 56.100 0.154 0.000 1.105 281 R CB 0.826 31.184 30.300 0.096 0.000 1.008 281 R HN 0.531 nan 8.270 nan 0.000 0.472 282 V N -1.547 118.436 119.914 0.115 0.000 2.547 282 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 282 V C -0.652 175.471 176.094 0.047 0.000 1.040 282 V CA -0.978 61.353 62.300 0.051 0.000 0.913 282 V CB 2.027 33.860 31.823 0.016 0.000 0.992 282 V HN 0.572 nan 8.190 nan 0.000 0.449 283 D N 3.175 123.576 120.400 0.002 0.000 2.349 283 D HA 0.425 5.065 4.640 -0.000 0.000 0.232 283 D C -0.199 176.026 176.300 -0.124 0.000 1.071 283 D CA -0.076 53.925 54.000 0.002 0.000 0.832 283 D CB 2.071 42.886 40.800 0.024 0.000 1.086 283 D HN 0.518 nan 8.370 nan 0.000 0.504 284 V N 1.922 121.659 119.914 -0.294 0.000 2.637 284 V HA 0.048 4.168 4.120 -0.000 0.000 0.296 284 V C 0.848 176.791 176.094 -0.252 0.000 1.046 284 V CA 0.026 62.038 62.300 -0.479 0.000 1.066 284 V CB 1.471 32.596 31.823 -1.164 0.000 0.968 284 V HN 0.485 nan 8.190 nan 0.000 0.483 285 S N 2.521 118.093 115.700 -0.213 0.000 2.438 285 S HA 0.217 4.687 4.470 -0.000 0.000 0.293 285 S C 0.937 175.471 174.600 -0.110 0.000 1.141 285 S CA -0.553 57.575 58.200 -0.121 0.000 1.080 285 S CB 1.142 64.281 63.200 -0.102 0.000 0.978 285 S HN 0.839 nan 8.310 nan 0.000 0.479 286 E N 4.242 124.411 120.200 -0.052 0.000 2.130 286 E HA -0.205 4.144 4.350 -0.000 0.000 0.196 286 E C 1.546 178.129 176.600 -0.028 0.000 0.998 286 E CA 2.026 58.413 56.400 -0.022 0.000 0.806 286 E CB -0.109 29.602 29.700 0.018 0.000 0.738 286 E HN 0.785 nan 8.360 nan 0.000 0.459 287 Q N -0.221 119.561 119.800 -0.031 0.000 2.016 287 Q HA 0.006 4.345 4.340 -0.000 0.000 0.200 287 Q C 2.209 178.186 176.000 -0.040 0.000 0.978 287 Q CA 1.461 57.248 55.803 -0.026 0.000 0.833 287 Q CB -0.202 28.522 28.738 -0.024 0.000 0.895 287 Q HN 0.131 nan 8.270 nan 0.000 0.427 288 R N 0.175 120.637 120.500 -0.064 0.000 2.096 288 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 288 R C 2.175 178.424 176.300 -0.086 0.000 1.127 288 R CA 0.834 56.887 56.100 -0.079 0.000 0.968 288 R CB -0.995 29.239 30.300 -0.109 0.000 0.861 288 R HN 0.266 nan 8.270 nan 0.000 0.440 289 L N 0.922 122.083 121.223 -0.104 0.000 2.027 289 L HA 0.007 4.347 4.340 -0.000 0.000 0.206 289 L C 2.219 179.072 176.870 -0.028 0.000 1.074 289 L CA 1.972 56.754 54.840 -0.096 0.000 0.745 289 L CB -0.918 41.062 42.059 -0.131 0.000 0.898 289 L HN 0.145 nan 8.230 nan 0.000 0.433 290 A N -0.798 122.012 122.820 -0.016 0.000 1.940 290 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 290 A C 2.163 179.755 177.584 0.014 0.000 1.176 290 A CA 1.889 53.931 52.037 0.009 0.000 0.631 290 A CB -0.678 18.328 19.000 0.009 0.000 0.814 290 A HN 0.637 nan 8.150 nan 0.000 0.446 291 E N -0.701 119.501 120.200 0.003 0.000 2.265 291 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 291 E C 1.365 177.982 176.600 0.028 0.000 0.996 291 E CA 1.410 57.818 56.400 0.013 0.000 0.832 291 E CB -0.070 29.633 29.700 0.004 0.000 0.756 291 E HN 0.679 nan 8.360 nan 0.000 0.491 292 V N -1.954 117.979 119.914 0.031 0.000 3.253 292 V HA 0.220 4.339 4.120 -0.000 0.000 0.320 292 V C 0.249 176.400 176.094 0.094 0.000 1.442 292 V CA -0.515 61.823 62.300 0.064 0.000 1.097 292 V CB 0.131 31.992 31.823 0.063 0.000 1.008 292 V HN -0.016 nan 8.190 nan 0.000 0.463 293 E N 1.797 122.040 120.200 0.072 0.000 2.366 293 E HA 0.582 4.932 4.350 -0.000 0.000 0.266 293 E C -0.296 176.343 176.600 0.066 0.000 1.051 293 E CA -0.222 56.225 56.400 0.079 0.000 0.884 293 E CB 1.147 30.884 29.700 0.063 0.000 1.006 293 E HN 0.740 nan 8.360 nan 0.000 0.417 294 I N -0.755 119.851 120.570 0.061 0.000 3.174 294 I HA 0.427 4.597 4.170 -0.000 0.000 0.313 294 I C -0.464 175.694 176.117 0.069 0.000 1.155 294 I CA -1.317 60.020 61.300 0.061 0.000 0.977 294 I CB 1.634 39.675 38.000 0.067 0.000 1.248 294 I HN 0.316 nan 8.210 nan 0.000 0.453 295 D N 4.252 124.695 120.400 0.071 0.000 2.472 295 D HA 0.080 4.720 4.640 -0.000 0.000 0.248 295 D C -1.525 174.837 176.300 0.105 0.000 1.174 295 D CA -1.173 52.871 54.000 0.073 0.000 0.883 295 D CB 1.192 42.028 40.800 0.060 0.000 1.149 295 D HN 0.434 nan 8.370 nan 0.000 0.488 296 P HA 0.041 nan 4.420 nan 0.000 0.249 296 P C 0.957 178.343 177.300 0.144 0.000 1.229 296 P CA 0.095 63.282 63.100 0.145 0.000 0.788 296 P CB 0.332 32.101 31.700 0.116 0.000 1.072 297 A N 1.838 124.715 122.820 0.094 0.000 1.869 297 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 297 A C 2.505 180.119 177.584 0.050 0.000 1.203 297 A CA 2.738 54.811 52.037 0.060 0.000 0.638 297 A CB -1.610 17.412 19.000 0.036 0.000 0.831 297 A HN 0.265 nan 8.150 nan 0.000 0.450 298 A N -2.195 120.647 122.820 0.038 0.000 1.902 298 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 298 A C 2.013 179.559 177.584 -0.063 0.000 1.181 298 A CA 1.495 53.505 52.037 -0.044 0.000 0.623 298 A CB -0.904 18.037 19.000 -0.098 0.000 0.818 298 A HN 0.758 nan 8.150 nan 0.000 0.443 299 W N 0.005 121.301 121.300 -0.005 0.000 2.388 299 W HA -0.106 4.553 4.660 -0.002 0.000 0.294 299 W C 2.687 179.227 176.519 0.035 0.000 1.212 299 W CA 1.462 58.820 57.345 0.023 0.000 1.271 299 W CB -0.126 29.339 29.460 0.007 0.000 1.126 299 W HN 0.435 nan 8.180 nan 0.000 0.535 300 Q N -0.378 119.556 119.800 0.224 0.000 2.124 300 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 300 Q C 2.397 178.407 176.000 0.016 0.000 0.977 300 Q CA 1.598 57.462 55.803 0.102 0.000 0.850 300 Q CB -0.575 28.204 28.738 0.067 0.000 0.901 300 Q HN 0.288 nan 8.270 nan 0.000 0.429 301 A N 1.192 124.015 122.820 0.005 0.000 1.930 301 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 301 A C 2.027 179.579 177.584 -0.054 0.000 1.175 301 A CA 1.376 53.389 52.037 -0.039 0.000 0.627 301 A CB -0.425 18.548 19.000 -0.044 0.000 0.815 301 A HN 0.202 nan 8.150 nan 0.000 0.443 302 R N -0.661 119.816 120.500 -0.038 0.000 2.092 302 R HA -0.007 4.333 4.340 -0.000 0.000 0.231 302 R C 2.106 178.434 176.300 0.048 0.000 1.119 302 R CA 1.337 57.425 56.100 -0.020 0.000 0.970 302 R CB -0.326 29.896 30.300 -0.131 0.000 0.864 302 R HN 0.559 nan 8.270 nan 0.000 0.440 303 L N 0.215 121.441 121.223 0.006 0.000 2.056 303 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 303 L C 2.310 178.863 176.870 -0.527 0.000 1.078 303 L CA 1.587 56.167 54.840 -0.433 0.000 0.749 303 L CB -0.320 41.474 42.059 -0.442 0.000 0.901 303 L HN 0.251 nan 8.230 nan 0.000 0.433 304 A N -0.232 122.390 122.820 -0.329 0.000 1.933 304 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 304 A C 2.398 179.843 177.584 -0.232 0.000 1.175 304 A CA 1.608 53.460 52.037 -0.308 0.000 0.628 304 A CB -0.836 18.055 19.000 -0.182 0.000 0.814 304 A HN 0.579 nan 8.150 nan 0.000 0.444 305 A N -0.252 122.481 122.820 -0.145 0.000 1.897 305 A HA 0.250 4.570 4.320 -0.000 0.000 0.215 305 A C 2.480 180.041 177.584 -0.039 0.000 1.181 305 A CA 1.799 53.793 52.037 -0.071 0.000 0.620 305 A CB -0.914 18.066 19.000 -0.034 0.000 0.821 305 A HN 0.980 nan 8.150 nan 0.000 0.443 306 A N 0.262 123.059 122.820 -0.038 0.000 1.898 306 A HA -0.151 4.168 4.320 -0.000 0.000 0.216 306 A C 2.251 179.849 177.584 0.023 0.000 1.181 306 A CA 1.746 53.835 52.037 0.086 0.000 0.620 306 A CB -0.500 18.647 19.000 0.245 0.000 0.819 306 A HN 0.627 nan 8.150 nan 0.000 0.442 307 R N -0.172 120.106 120.500 -0.370 0.000 2.075 307 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 307 R C 2.176 178.453 176.300 -0.038 0.000 1.126 307 R CA 1.577 57.385 56.100 -0.486 0.000 0.963 307 R CB -0.513 29.118 30.300 -1.116 0.000 0.858 307 R HN 0.340 nan 8.270 nan 0.000 0.435 308 A N 1.065 123.838 122.820 -0.078 0.000 1.902 308 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 308 A C 2.445 180.059 177.584 0.050 0.000 1.181 308 A CA 1.611 53.640 52.037 -0.014 0.000 0.623 308 A CB -0.799 18.177 19.000 -0.039 0.000 0.818 308 A HN 0.582 nan 8.150 nan 0.000 0.443 309 A N -1.411 121.462 122.820 0.088 0.000 1.930 309 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 309 A C 2.091 179.783 177.584 0.180 0.000 1.175 309 A CA 1.299 53.408 52.037 0.121 0.000 0.627 309 A CB -0.791 18.297 19.000 0.147 0.000 0.815 309 A HN 0.877 nan 8.150 nan 0.000 0.443 310 W N 1.060 122.421 121.300 0.101 0.000 2.409 310 W HA -0.105 4.555 4.660 -0.000 0.000 0.299 310 W C 1.368 177.939 176.519 0.087 0.000 1.203 310 W CA 1.637 59.066 57.345 0.140 0.000 1.298 310 W CB -0.142 29.482 29.460 0.274 0.000 1.127 310 W HN 0.521 nan 8.180 nan 0.000 0.528 311 E N 0.283 120.536 120.200 0.089 0.000 2.418 311 E HA -0.116 4.234 4.350 -0.000 0.000 0.197 311 E C 0.678 177.215 176.600 -0.106 0.000 1.026 311 E CA 0.551 56.928 56.400 -0.039 0.000 0.862 311 E CB 0.081 29.819 29.700 0.063 0.000 0.799 311 E HN 0.445 nan 8.360 nan 0.000 0.518 312 Q N 0.000 119.746 119.800 -0.089 0.000 2.315 312 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 312 Q CA 0.000 55.755 55.803 -0.081 0.000 1.022 312 Q CB 0.000 28.716 28.738 -0.037 0.000 1.108 312 Q HN 0.000 nan 8.270 nan 0.000 0.481