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 1rs8_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX DATA SEQUENCE XPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.538 176.600 -0.104 0.000 0.988 69 K CA 0.000 56.154 56.287 -0.222 0.000 0.838 69 K CB 0.000 32.217 32.500 -0.471 0.000 1.064 70 F N 5.829 125.787 119.950 0.013 0.000 2.438 70 F HA 0.302 4.830 4.527 0.002 0.000 0.360 70 F C -1.732 174.138 175.800 0.116 0.000 1.118 70 F CA -2.225 55.800 58.000 0.042 0.000 1.164 70 F CB 0.462 39.482 39.000 0.033 0.000 1.131 70 F HN -0.086 nan 8.300 nan 0.000 0.527 71 P HA -0.031 nan 4.420 nan 0.000 0.267 71 P C -0.742 176.679 177.300 0.203 0.000 1.205 71 P CA -0.305 62.919 63.100 0.208 0.000 0.765 71 P CB 0.864 32.651 31.700 0.146 0.000 0.828 72 R N 2.856 123.437 120.500 0.136 0.000 2.267 72 R HA 0.346 4.688 4.340 0.002 0.000 0.319 72 R C -1.024 175.183 176.300 -0.154 0.000 1.067 72 R CA -0.484 55.529 56.100 -0.146 0.000 0.936 72 R CB 0.334 30.619 30.300 -0.026 0.000 1.006 72 R HN 0.259 nan 8.270 nan 0.000 0.452 73 V N 5.678 125.435 119.914 -0.262 0.000 2.313 73 V HA 0.287 4.408 4.120 0.002 0.000 0.278 73 V C 0.007 176.001 176.094 -0.167 0.000 1.017 73 V CA -0.681 61.548 62.300 -0.118 0.000 0.823 73 V CB 0.977 32.772 31.823 -0.048 0.000 1.010 73 V HN 0.742 nan 8.190 nan 0.000 0.443 74 K N 3.835 124.156 120.400 -0.132 0.000 2.118 74 K HA 0.406 4.728 4.320 0.002 0.000 0.254 74 K C -0.364 176.124 176.600 -0.187 0.000 0.961 74 K CA -0.701 55.426 56.287 -0.267 0.000 0.876 74 K CB 1.221 33.414 32.500 -0.511 0.000 1.077 74 K HN 0.694 nan 8.250 nan 0.000 0.440 75 N N 3.493 122.054 118.700 -0.233 0.000 2.446 75 N HA 0.108 4.849 4.740 0.002 0.000 0.265 75 N C -0.543 174.886 175.510 -0.135 0.000 0.975 75 N CA -0.402 52.626 53.050 -0.037 0.000 0.928 75 N CB 0.554 39.053 38.487 0.019 0.000 1.160 75 N HN 0.623 nan 8.380 nan 0.000 0.495 76 W N 2.040 123.415 121.300 0.125 0.000 3.180 76 W HA 0.196 4.857 4.660 0.003 0.000 0.254 76 W C 1.854 178.426 176.519 0.088 0.000 1.318 76 W CA -0.269 57.142 57.345 0.111 0.000 1.608 76 W CB 0.319 29.860 29.460 0.136 0.000 1.124 76 W HN 0.647 nan 8.180 nan 0.000 0.694 77 E N 0.113 120.440 120.200 0.211 0.000 2.340 77 E HA 0.023 4.374 4.350 0.002 0.000 0.198 77 E C 1.366 177.985 176.600 0.033 0.000 0.961 77 E CA 0.678 57.117 56.400 0.064 0.000 0.905 77 E CB 0.143 29.845 29.700 0.003 0.000 0.884 77 E HN 0.291 nan 8.360 nan 0.000 0.491 78 L N -0.947 120.291 121.223 0.025 0.000 2.966 78 L HA 0.407 4.748 4.340 0.002 0.000 0.262 78 L C 1.335 178.176 176.870 -0.049 0.000 1.165 78 L CA 0.274 55.110 54.840 -0.007 0.000 0.978 78 L CB 1.074 43.135 42.059 0.002 0.000 1.337 78 L HN 0.268 nan 8.230 nan 0.000 0.563 79 G N 0.894 109.637 108.800 -0.096 0.000 2.228 79 G HA2 -0.374 3.587 3.960 0.002 0.000 0.270 79 G HA3 -0.374 3.587 3.960 0.002 0.000 0.270 79 G C 0.560 175.349 174.900 -0.185 0.000 0.976 79 G CA 0.691 45.686 45.100 -0.175 0.000 0.636 79 G HN 0.516 nan 8.290 nan 0.000 0.542 80 S N -0.441 115.179 115.700 -0.133 0.000 2.576 80 S HA 0.612 5.083 4.470 0.002 0.000 0.272 80 S C 0.169 174.665 174.600 -0.173 0.000 1.352 80 S CA 0.140 58.269 58.200 -0.118 0.000 1.021 80 S CB 1.637 64.793 63.200 -0.073 0.000 0.887 80 S HN 0.754 nan 8.310 nan 0.000 0.542 81 I N 0.975 121.450 120.570 -0.158 0.000 2.656 81 I HA 0.469 4.640 4.170 0.002 0.000 0.292 81 I C -0.238 175.741 176.117 -0.230 0.000 1.144 81 I CA -0.484 60.676 61.300 -0.233 0.000 1.038 81 I CB 2.697 40.541 38.000 -0.259 0.000 1.244 81 I HN 1.010 nan 8.210 nan 0.000 0.420 82 T N 1.015 115.376 114.554 -0.322 0.000 2.865 82 T HA 0.660 5.011 4.350 0.002 0.000 0.294 82 T C -1.416 173.010 174.700 -0.457 0.000 1.119 82 T CA -0.763 61.193 62.100 -0.240 0.000 1.007 82 T CB 1.817 70.622 68.868 -0.105 0.000 1.225 82 T HN 0.305 nan 8.240 nan 0.000 0.515 83 Y N 0.367 120.651 120.300 -0.027 0.000 2.326 83 Y HA 0.406 4.957 4.550 0.002 0.000 0.329 83 Y C -0.053 175.804 175.900 -0.071 0.000 0.973 83 Y CA -1.015 57.072 58.100 -0.022 0.000 1.162 83 Y CB 1.613 40.063 38.460 -0.015 0.000 1.147 83 Y HN 0.736 nan 8.280 nan 0.000 0.456 84 D N 2.255 122.694 120.400 0.065 0.000 2.339 84 D HA 0.046 4.687 4.640 0.002 0.000 0.256 84 D C 0.770 176.981 176.300 -0.148 0.000 1.214 84 D CA 0.360 54.358 54.000 -0.004 0.000 0.877 84 D CB 1.328 42.171 40.800 0.070 0.000 1.111 84 D HN 0.791 nan 8.370 nan 0.000 0.478 85 T N 1.120 115.492 114.554 -0.305 0.000 2.985 85 T HA -0.037 4.315 4.350 0.002 0.000 0.254 85 T C 1.813 176.298 174.700 -0.358 0.000 1.021 85 T CA -0.287 61.415 62.100 -0.664 0.000 0.957 85 T CB 0.059 68.464 68.868 -0.772 0.000 1.047 85 T HN 0.254 nan 8.240 nan 0.000 0.511 86 L N 2.560 123.665 121.223 -0.197 0.000 2.131 86 L HA 0.056 4.397 4.340 0.002 0.000 0.210 86 L C 2.685 179.419 176.870 -0.228 0.000 1.092 86 L CA 1.498 56.274 54.840 -0.106 0.000 0.759 86 L CB -0.974 41.111 42.059 0.043 0.000 0.903 86 L HN 0.680 nan 8.230 nan 0.000 0.435 87 C N -1.228 117.739 119.300 -0.555 0.000 2.409 87 C HA -0.044 4.417 4.460 0.002 0.000 0.284 87 C C 2.792 177.525 174.990 -0.428 0.000 1.354 87 C CA 0.281 58.612 59.018 -1.144 0.000 1.787 87 C CB -2.206 24.855 27.740 -1.131 0.000 1.900 87 C HN 0.585 nan 8.230 nan 0.000 0.520 88 A N -0.091 122.640 122.820 -0.149 0.000 2.019 88 A HA -0.125 4.196 4.320 0.002 0.000 0.219 88 A C 2.321 179.897 177.584 -0.012 0.000 1.164 88 A CA 1.486 53.532 52.037 0.015 0.000 0.644 88 A CB -0.599 18.506 19.000 0.175 0.000 0.805 88 A HN 0.723 nan 8.150 nan 0.000 0.449 89 Q N 0.168 119.947 119.800 -0.035 0.000 2.488 89 Q HA -0.008 4.333 4.340 0.002 0.000 0.211 89 Q C 0.708 176.729 176.000 0.037 0.000 0.967 89 Q CA 0.431 56.241 55.803 0.012 0.000 0.926 89 Q CB -0.232 28.522 28.738 0.027 0.000 0.992 89 Q HN 0.528 nan 8.270 nan 0.000 0.506 90 S N 0.772 116.484 115.700 0.020 0.000 2.498 90 S HA 0.011 4.483 4.470 0.002 0.000 0.281 90 S C 0.941 175.574 174.600 0.055 0.000 1.265 90 S CA -0.199 58.047 58.200 0.078 0.000 1.071 90 S CB 0.596 63.861 63.200 0.109 0.000 0.894 90 S HN 0.120 nan 8.310 nan 0.000 0.491 91 Q N 2.694 122.531 119.800 0.062 0.000 2.391 91 Q HA 0.224 4.565 4.340 0.002 0.000 0.211 91 Q C 0.509 176.536 176.000 0.044 0.000 0.908 91 Q CA 0.654 56.486 55.803 0.048 0.000 0.920 91 Q CB 0.200 28.967 28.738 0.049 0.000 1.056 91 Q HN 0.729 nan 8.270 nan 0.000 0.523 92 Q N 0.624 120.455 119.800 0.051 0.000 2.215 92 Q HA 0.200 4.542 4.340 0.002 0.000 0.256 92 Q C -1.035 174.995 176.000 0.050 0.000 0.972 92 Q CA -0.525 55.304 55.803 0.043 0.000 0.889 92 Q CB 1.348 30.109 28.738 0.038 0.000 1.281 92 Q HN 0.015 nan 8.270 nan 0.000 0.456 93 D N 0.433 120.857 120.400 0.040 0.000 2.225 93 D HA 0.413 5.054 4.640 0.002 0.000 0.249 93 D C -0.077 176.249 176.300 0.043 0.000 1.052 93 D CA 0.005 54.029 54.000 0.041 0.000 0.909 93 D CB 1.486 42.304 40.800 0.030 0.000 1.186 93 D HN 0.650 nan 8.370 nan 0.000 0.431 94 G N 0.474 109.304 108.800 0.049 0.000 2.583 94 G HA2 0.390 4.351 3.960 0.002 0.000 0.280 94 G HA3 0.390 4.351 3.960 0.002 0.000 0.280 94 G C -1.474 173.448 174.900 0.037 0.000 1.376 94 G CA -0.636 44.492 45.100 0.046 0.000 1.043 94 G HN 0.383 nan 8.290 nan 0.000 0.538 95 P HA 0.171 nan 4.420 nan 0.000 0.245 95 P C 0.199 177.516 177.300 0.029 0.000 1.203 95 P CA 0.001 63.120 63.100 0.031 0.000 0.792 95 P CB 0.187 31.905 31.700 0.031 0.000 0.997 96 C N 0.929 120.249 119.300 0.034 0.000 2.459 96 C HA 0.628 5.090 4.460 0.002 0.000 0.374 96 C C 1.015 176.021 174.990 0.026 0.000 1.241 96 C CA 0.009 59.045 59.018 0.031 0.000 2.352 96 C CB 0.951 28.713 27.740 0.037 0.000 2.490 96 C HN 0.391 nan 8.230 nan 0.000 0.583 97 T N -1.483 113.084 114.554 0.021 0.000 2.865 97 T HA 0.448 4.799 4.350 0.002 0.000 0.294 97 T C -2.452 172.257 174.700 0.014 0.000 1.119 97 T CA -1.181 60.929 62.100 0.016 0.000 1.007 97 T CB 1.372 70.247 68.868 0.013 0.000 1.225 97 T HN 0.267 nan 8.240 nan 0.000 0.515 98 P HA -0.006 nan 4.420 nan 0.000 0.216 98 P C 1.612 178.916 177.300 0.007 0.000 1.150 98 P CA 0.728 63.833 63.100 0.009 0.000 0.837 98 P CB 0.080 31.783 31.700 0.006 0.000 0.786 99 R N -0.159 120.345 120.500 0.006 0.000 2.105 99 R HA -0.130 4.211 4.340 0.002 0.000 0.239 99 R C 0.681 176.984 176.300 0.005 0.000 1.135 99 R CA 1.220 57.323 56.100 0.005 0.000 0.967 99 R CB 0.086 30.389 30.300 0.005 0.000 0.861 99 R HN 0.136 nan 8.270 nan 0.000 0.442 100 R N -0.868 119.636 120.500 0.007 0.000 2.664 100 R HA 0.127 4.469 4.340 0.002 0.000 0.266 100 R C -1.875 174.433 176.300 0.012 0.000 1.046 100 R CA -0.711 55.393 56.100 0.008 0.000 0.885 100 R CB 0.170 30.475 30.300 0.007 0.000 1.254 100 R HN 0.080 nan 8.270 nan 0.000 0.465 101 C N 3.267 122.574 119.300 0.011 0.000 2.295 101 C HA 0.603 5.064 4.460 0.002 0.000 0.331 101 C C 0.633 175.636 174.990 0.022 0.000 1.280 101 C CA -0.707 58.321 59.018 0.017 0.000 1.746 101 C CB -0.710 27.037 27.740 0.011 0.000 2.328 101 C HN 0.724 nan 8.230 nan 0.000 0.521 102 L N 5.874 127.114 121.223 0.030 0.000 3.062 102 L HA 0.289 4.630 4.340 0.002 0.000 0.255 102 L C 2.005 178.904 176.870 0.049 0.000 1.274 102 L CA 0.193 55.054 54.840 0.035 0.000 1.047 102 L CB -0.085 41.992 42.059 0.031 0.000 1.402 102 L HN 1.036 nan 8.230 nan 0.000 0.550 103 G N 0.404 109.236 108.800 0.053 0.000 2.462 103 G HA2 -0.268 3.693 3.960 0.002 0.000 0.220 103 G HA3 -0.268 3.693 3.960 0.002 0.000 0.220 103 G C 1.592 176.555 174.900 0.105 0.000 1.121 103 G CA 1.182 46.325 45.100 0.072 0.000 0.758 103 G HN 0.528 nan 8.290 nan 0.000 0.559 104 S N -0.539 115.223 115.700 0.104 0.000 2.562 104 S HA 0.286 4.757 4.470 0.002 0.000 0.221 104 S C 0.714 175.401 174.600 0.145 0.000 0.975 104 S CA -0.401 57.885 58.200 0.143 0.000 0.918 104 S CB -0.012 63.256 63.200 0.114 0.000 0.772 104 S HN 0.001 nan 8.310 nan 0.000 0.531 105 L N 2.240 123.525 121.223 0.105 0.000 2.453 105 L HA 0.209 4.550 4.340 0.002 0.000 0.272 105 L C 1.467 178.408 176.870 0.119 0.000 1.182 105 L CA 0.210 55.106 54.840 0.093 0.000 0.858 105 L CB 0.526 42.619 42.059 0.057 0.000 1.120 105 L HN -0.022 nan 8.230 nan 0.000 0.474 106 V N 3.521 123.515 119.914 0.133 0.000 2.229 106 V HA -0.127 3.994 4.120 0.002 0.000 0.243 106 V C 0.899 177.027 176.094 0.057 0.000 1.042 106 V CA 1.227 63.626 62.300 0.165 0.000 1.000 106 V CB -0.286 31.636 31.823 0.164 0.000 0.637 106 V HN 0.496 nan 8.190 nan 0.000 0.446 107 L N -0.049 121.165 121.223 -0.015 0.000 2.352 107 L HA 0.449 4.791 4.340 0.002 0.000 0.269 107 L C -2.422 174.452 176.870 0.007 0.000 1.034 107 L CA -1.761 53.046 54.840 -0.055 0.000 0.806 107 L CB 0.395 42.367 42.059 -0.146 0.000 1.244 107 L HN 0.104 nan 8.230 nan 0.000 0.447 108 P HA 0.308 nan 4.420 nan 0.000 0.286 108 P C -0.593 176.714 177.300 0.012 0.000 1.269 108 P CA -0.665 62.453 63.100 0.031 0.000 0.787 108 P CB 0.972 32.702 31.700 0.049 0.000 0.920 121 P HA 0.133 nan 4.420 nan 0.000 0.257 121 P C 1.216 178.522 177.300 0.010 0.000 1.162 121 P CA 0.628 63.733 63.100 0.008 0.000 0.762 121 P CB 0.261 31.965 31.700 0.007 0.000 0.753 122 A N 4.337 127.163 122.820 0.010 0.000 2.009 122 A HA -0.298 4.024 4.320 0.002 0.000 0.222 122 A C 1.924 179.510 177.584 0.004 0.000 1.175 122 A CA 1.861 53.903 52.037 0.009 0.000 0.651 122 A CB -0.631 18.373 19.000 0.007 0.000 0.815 122 A HN 0.673 nan 8.150 nan 0.000 0.459 123 E N -1.385 118.817 120.200 0.003 0.000 2.046 123 E HA -0.220 4.131 4.350 0.002 0.000 0.190 123 E C 2.275 178.879 176.600 0.007 0.000 0.982 123 E CA 1.233 57.634 56.400 0.002 0.000 0.800 123 E CB -0.196 29.505 29.700 0.002 0.000 0.756 123 E HN 0.707 nan 8.360 nan 0.000 0.449 124 Q N 1.383 121.189 119.800 0.010 0.000 2.002 124 Q HA -0.199 4.142 4.340 0.002 0.000 0.204 124 Q C 2.154 178.167 176.000 0.022 0.000 0.988 124 Q CA 1.366 57.178 55.803 0.016 0.000 0.843 124 Q CB -0.487 28.260 28.738 0.014 0.000 0.908 124 Q HN 0.253 nan 8.270 nan 0.000 0.420 125 L N -0.204 121.033 121.223 0.024 0.000 2.012 125 L HA -0.109 4.232 4.340 0.002 0.000 0.210 125 L C 2.154 179.041 176.870 0.029 0.000 1.073 125 L CA 1.831 56.695 54.840 0.041 0.000 0.748 125 L CB -1.092 40.998 42.059 0.051 0.000 0.891 125 L HN 0.471 nan 8.230 nan 0.000 0.431 126 L N -0.532 120.690 121.223 -0.003 0.000 2.079 126 L HA -0.208 4.133 4.340 0.002 0.000 0.210 126 L C 2.782 179.641 176.870 -0.018 0.000 1.081 126 L CA 2.176 56.991 54.840 -0.042 0.000 0.752 126 L CB -0.924 41.112 42.059 -0.039 0.000 0.896 126 L HN 0.642 nan 8.230 nan 0.000 0.433 127 S N -1.616 114.089 115.700 0.009 0.000 2.387 127 S HA -0.215 4.256 4.470 0.002 0.000 0.226 127 S C 1.899 176.532 174.600 0.055 0.000 1.026 127 S CA 1.174 59.389 58.200 0.025 0.000 0.972 127 S CB -0.375 62.839 63.200 0.024 0.000 0.814 127 S HN 0.675 nan 8.310 nan 0.000 0.477 128 Q N 0.741 120.580 119.800 0.066 0.000 2.079 128 Q HA 0.083 4.424 4.340 0.002 0.000 0.200 128 Q C 2.648 178.746 176.000 0.163 0.000 0.974 128 Q CA 1.390 57.255 55.803 0.103 0.000 0.840 128 Q CB -0.504 28.287 28.738 0.088 0.000 0.898 128 Q HN 0.764 nan 8.270 nan 0.000 0.430 129 A N 1.450 124.350 122.820 0.132 0.000 1.858 129 A HA -0.230 4.092 4.320 0.002 0.000 0.216 129 A C 2.007 179.696 177.584 0.175 0.000 1.190 129 A CA 1.476 53.608 52.037 0.159 0.000 0.617 129 A CB -0.497 18.400 19.000 -0.171 0.000 0.827 129 A HN 0.213 nan 8.150 nan 0.000 0.443 130 R N -0.547 119.999 120.500 0.077 0.000 2.112 130 R HA -0.230 4.111 4.340 0.002 0.000 0.242 130 R C 2.105 178.489 176.300 0.140 0.000 1.137 130 R CA 1.914 58.062 56.100 0.080 0.000 0.944 130 R CB -0.651 29.669 30.300 0.033 0.000 0.857 130 R HN 0.704 nan 8.270 nan 0.000 0.435 131 D N -0.031 120.456 120.400 0.144 0.000 2.133 131 D HA -0.223 4.418 4.640 0.002 0.000 0.195 131 D C 1.659 178.083 176.300 0.207 0.000 0.997 131 D CA 1.212 55.305 54.000 0.155 0.000 0.840 131 D CB -0.120 40.766 40.800 0.143 0.000 0.947 131 D HN 0.164 nan 8.370 nan 0.000 0.452 132 F N 0.774 120.823 119.950 0.165 0.000 2.075 132 F HA -0.115 4.413 4.527 0.002 0.000 0.297 132 F C 2.044 178.015 175.800 0.285 0.000 1.113 132 F CA 1.141 59.277 58.000 0.227 0.000 1.218 132 F CB -0.321 38.812 39.000 0.221 0.000 0.984 132 F HN -0.014 nan 8.300 nan 0.000 0.472 133 I N 0.971 121.581 120.570 0.067 0.000 2.264 133 I HA -0.308 3.863 4.170 0.002 0.000 0.248 133 I C 2.026 178.224 176.117 0.135 0.000 1.111 133 I CA 1.228 62.581 61.300 0.088 0.000 1.382 133 I CB -1.599 36.571 38.000 0.284 0.000 1.060 133 I HN 0.271 nan 8.210 nan 0.000 0.418 134 N N 0.747 119.547 118.700 0.167 0.000 2.188 134 N HA -0.177 4.565 4.740 0.002 0.000 0.184 134 N C 1.820 177.309 175.510 -0.035 0.000 1.018 134 N CA 1.006 54.146 53.050 0.149 0.000 0.858 134 N CB -0.215 38.377 38.487 0.175 0.000 0.989 134 N HN 0.526 nan 8.380 nan 0.000 0.426 135 Q N -0.487 119.289 119.800 -0.040 0.000 2.124 135 Q HA -0.164 4.177 4.340 0.002 0.000 0.202 135 Q C 1.762 177.575 176.000 -0.311 0.000 0.977 135 Q CA 1.100 56.886 55.803 -0.027 0.000 0.850 135 Q CB -0.206 28.634 28.738 0.171 0.000 0.901 135 Q HN 0.454 nan 8.270 nan 0.000 0.429 136 Y N 0.134 120.003 120.300 -0.720 0.000 2.089 136 Y HA -0.296 4.255 4.550 0.002 0.000 0.282 136 Y C 1.794 177.141 175.900 -0.923 0.000 1.139 136 Y CA 1.626 58.970 58.100 -1.261 0.000 1.123 136 Y CB -0.609 37.258 38.460 -0.987 0.000 0.980 136 Y HN 0.046 nan 8.280 nan 0.000 0.493 137 Y N -0.186 119.702 120.300 -0.687 0.000 2.256 137 Y HA -0.231 4.320 4.550 0.002 0.000 0.288 137 Y C 2.862 178.412 175.900 -0.582 0.000 1.155 137 Y CA 1.836 59.505 58.100 -0.718 0.000 1.203 137 Y CB -0.643 37.296 38.460 -0.867 0.000 0.980 137 Y HN 0.114 nan 8.280 nan 0.000 0.530 138 S N -0.753 114.730 115.700 -0.361 0.000 2.383 138 S HA -0.216 4.255 4.470 0.002 0.000 0.227 138 S C 2.319 176.747 174.600 -0.287 0.000 1.026 138 S CA 1.263 59.319 58.200 -0.239 0.000 0.981 138 S CB -0.558 62.559 63.200 -0.139 0.000 0.818 138 S HN 0.657 nan 8.310 nan 0.000 0.472 139 S N 2.737 118.165 115.700 -0.454 0.000 2.356 139 S HA -0.101 4.370 4.470 0.002 0.000 0.223 139 S C 1.745 176.100 174.600 -0.408 0.000 1.032 139 S CA 1.324 59.279 58.200 -0.409 0.000 1.005 139 S CB -0.837 61.952 63.200 -0.684 0.000 0.867 139 S HN 0.703 nan 8.310 nan 0.000 0.449 140 I N -1.599 118.603 120.570 -0.613 0.000 3.680 140 I HA 0.326 4.497 4.170 0.002 0.000 0.306 140 I C 0.017 175.961 176.117 -0.289 0.000 1.260 140 I CA -0.225 60.792 61.300 -0.472 0.000 1.201 140 I CB -0.891 36.719 38.000 -0.650 0.000 1.009 140 I HN 0.105 nan 8.210 nan 0.000 0.467 141 K N 1.863 122.117 120.400 -0.244 0.000 3.148 141 K HA -0.180 4.141 4.320 0.002 0.000 0.267 141 K C 0.060 176.598 176.600 -0.104 0.000 0.996 141 K CA 0.632 56.832 56.287 -0.145 0.000 0.737 141 K CB -1.435 31.002 32.500 -0.105 0.000 1.308 141 K HN 0.611 nan 8.250 nan 0.000 0.470 142 R N 0.078 120.518 120.500 -0.100 0.000 2.637 142 R HA 0.095 4.436 4.340 0.002 0.000 0.446 142 R C -0.308 176.005 176.300 0.022 0.000 1.024 142 R CA -0.238 55.857 56.100 -0.009 0.000 1.080 142 R CB 1.240 31.568 30.300 0.047 0.000 1.421 142 R HN 0.149 nan 8.270 nan 0.000 0.593 143 S N -0.562 115.116 115.700 -0.037 0.000 2.568 143 S HA 0.240 4.711 4.470 0.002 0.000 0.282 143 S C 1.502 176.191 174.600 0.148 0.000 1.338 143 S CA 1.575 59.768 58.200 -0.012 0.000 1.045 143 S CB 0.742 63.934 63.200 -0.012 0.000 0.873 143 S HN 0.710 nan 8.310 nan 0.000 0.516 144 G N 2.561 111.618 108.800 0.429 0.000 2.257 144 G HA2 -0.339 3.622 3.960 0.002 0.000 0.267 144 G HA3 -0.339 3.622 3.960 0.002 0.000 0.267 144 G C 0.480 175.408 174.900 0.047 0.000 0.984 144 G CA 0.985 46.170 45.100 0.142 0.000 0.626 144 G HN 1.584 nan 8.290 nan 0.000 0.540 145 S N -0.568 115.169 115.700 0.062 0.000 2.650 145 S HA 0.384 4.855 4.470 0.002 0.000 0.251 145 S C 1.430 176.018 174.600 -0.020 0.000 1.325 145 S CA 1.042 59.252 58.200 0.018 0.000 0.967 145 S CB 0.769 63.991 63.200 0.036 0.000 1.000 145 S HN 0.693 nan 8.310 nan 0.000 0.584 146 Q N 0.733 120.524 119.800 -0.015 0.000 2.016 146 Q HA 0.047 4.389 4.340 0.002 0.000 0.200 146 Q C 2.304 178.278 176.000 -0.044 0.000 0.978 146 Q CA 2.285 58.071 55.803 -0.028 0.000 0.833 146 Q CB -1.320 27.415 28.738 -0.006 0.000 0.895 146 Q HN 0.893 nan 8.270 nan 0.000 0.427 147 A N 0.050 122.868 122.820 -0.004 0.000 1.958 147 A HA -0.301 4.020 4.320 0.002 0.000 0.221 147 A C 2.121 179.561 177.584 -0.239 0.000 1.178 147 A CA 1.999 54.051 52.037 0.026 0.000 0.642 147 A CB -1.197 17.940 19.000 0.229 0.000 0.816 147 A HN 0.757 nan 8.150 nan 0.000 0.453 148 H N -0.813 117.846 119.070 -0.684 0.000 2.261 148 H HA -0.117 4.440 4.556 0.002 0.000 0.301 148 H C 2.179 177.203 175.328 -0.507 0.000 1.067 148 H CA 1.412 56.775 56.048 -1.141 0.000 1.297 148 H CB -0.030 29.274 29.762 -0.763 0.000 1.377 148 H HN 0.604 nan 8.280 nan 0.000 0.492 149 E N 0.210 120.225 120.200 -0.308 0.000 2.114 149 E HA -0.231 4.120 4.350 0.002 0.000 0.199 149 E C 2.152 178.652 176.600 -0.167 0.000 1.008 149 E CA 1.706 57.945 56.400 -0.268 0.000 0.810 149 E CB -0.027 29.568 29.700 -0.175 0.000 0.739 149 E HN 0.673 nan 8.360 nan 0.000 0.456 150 E N 0.139 120.271 120.200 -0.113 0.000 2.107 150 E HA -0.168 4.183 4.350 0.002 0.000 0.191 150 E C 2.157 178.744 176.600 -0.023 0.000 0.982 150 E CA 0.603 56.972 56.400 -0.051 0.000 0.809 150 E CB -0.060 29.630 29.700 -0.017 0.000 0.756 150 E HN -0.035 nan 8.360 nan 0.000 0.459 151 R N 1.465 121.955 120.500 -0.017 0.000 2.115 151 R HA -0.060 4.282 4.340 0.002 0.000 0.230 151 R C 1.969 178.298 176.300 0.048 0.000 1.111 151 R CA 1.006 57.148 56.100 0.071 0.000 0.976 151 R CB -0.499 29.918 30.300 0.195 0.000 0.870 151 R HN 0.177 nan 8.270 nan 0.000 0.445 152 L N -0.139 121.066 121.223 -0.030 0.000 2.156 152 L HA -0.091 4.250 4.340 0.002 0.000 0.208 152 L C 2.386 179.222 176.870 -0.057 0.000 1.095 152 L CA 1.272 56.080 54.840 -0.054 0.000 0.770 152 L CB -0.277 41.692 42.059 -0.150 0.000 0.914 152 L HN 0.300 nan 8.230 nan 0.000 0.439 153 Q N -0.349 119.420 119.800 -0.052 0.000 2.083 153 Q HA -0.181 4.160 4.340 0.002 0.000 0.198 153 Q C 2.028 178.020 176.000 -0.014 0.000 0.969 153 Q CA 1.131 56.912 55.803 -0.038 0.000 0.838 153 Q CB 0.026 28.743 28.738 -0.035 0.000 0.900 153 Q HN 0.514 nan 8.270 nan 0.000 0.436 154 E N 0.121 120.328 120.200 0.011 0.000 2.070 154 E HA -0.201 4.150 4.350 0.002 0.000 0.197 154 E C 2.119 178.742 176.600 0.038 0.000 1.004 154 E CA 1.632 58.057 56.400 0.042 0.000 0.805 154 E CB -0.086 29.661 29.700 0.078 0.000 0.744 154 E HN 0.141 nan 8.360 nan 0.000 0.451 155 V N 1.877 121.791 119.914 -0.001 0.000 2.287 155 V HA -0.258 3.863 4.120 0.002 0.000 0.248 155 V C 2.272 178.286 176.094 -0.133 0.000 1.053 155 V CA 1.796 64.019 62.300 -0.129 0.000 1.027 155 V CB -0.548 31.104 31.823 -0.285 0.000 0.646 155 V HN 0.218 nan 8.190 nan 0.000 0.447 156 E N 0.454 120.599 120.200 -0.092 0.000 2.049 156 E HA -0.268 4.083 4.350 0.002 0.000 0.198 156 E C 2.413 178.995 176.600 -0.028 0.000 1.007 156 E CA 1.710 58.070 56.400 -0.066 0.000 0.809 156 E CB -0.524 29.146 29.700 -0.050 0.000 0.749 156 E HN 0.577 nan 8.360 nan 0.000 0.450 157 A N 1.278 124.093 122.820 -0.009 0.000 1.908 157 A HA -0.260 4.061 4.320 0.002 0.000 0.218 157 A C 2.101 179.706 177.584 0.035 0.000 1.181 157 A CA 1.925 53.970 52.037 0.013 0.000 0.627 157 A CB -0.544 18.468 19.000 0.020 0.000 0.818 157 A HN 0.269 nan 8.150 nan 0.000 0.445 158 E N -0.640 119.595 120.200 0.058 0.000 2.047 158 E HA -0.100 4.251 4.350 0.002 0.000 0.191 158 E C 1.966 178.626 176.600 0.100 0.000 0.987 158 E CA 1.219 57.683 56.400 0.107 0.000 0.799 158 E CB -0.072 29.745 29.700 0.195 0.000 0.752 158 E HN 0.349 nan 8.360 nan 0.000 0.449 159 V N 1.022 120.974 119.914 0.063 0.000 2.358 159 V HA -0.240 3.881 4.120 0.002 0.000 0.246 159 V C 2.340 178.455 176.094 0.034 0.000 1.047 159 V CA 1.699 64.030 62.300 0.052 0.000 1.035 159 V CB -0.647 31.172 31.823 -0.006 0.000 0.658 159 V HN 0.376 nan 8.190 nan 0.000 0.452 160 A N -0.434 122.396 122.820 0.018 0.000 1.978 160 A HA -0.201 4.120 4.320 0.002 0.000 0.220 160 A C 2.408 180.006 177.584 0.023 0.000 1.170 160 A CA 2.446 54.492 52.037 0.014 0.000 0.636 160 A CB -0.436 18.568 19.000 0.006 0.000 0.810 160 A HN 0.541 nan 8.150 nan 0.000 0.448 161 S N -1.735 113.985 115.700 0.034 0.000 2.483 161 S HA -0.005 4.466 4.470 0.002 0.000 0.221 161 S C 1.832 176.459 174.600 0.046 0.000 1.030 161 S CA 1.189 59.411 58.200 0.037 0.000 0.925 161 S CB 0.115 63.339 63.200 0.038 0.000 0.795 161 S HN 0.875 nan 8.310 nan 0.000 0.511 162 T N -2.335 112.256 114.554 0.061 0.000 2.975 162 T HA 0.459 4.810 4.350 0.002 0.000 0.257 162 T C 1.480 176.217 174.700 0.063 0.000 1.003 162 T CA 0.892 63.034 62.100 0.070 0.000 0.932 162 T CB 0.482 69.412 68.868 0.103 0.000 1.087 162 T HN 0.495 nan 8.240 nan 0.000 0.512 163 G N 0.224 109.058 108.800 0.057 0.000 2.179 163 G HA2 -0.204 3.757 3.960 0.002 0.000 0.260 163 G HA3 -0.204 3.757 3.960 0.002 0.000 0.260 163 G C 0.216 175.153 174.900 0.062 0.000 0.977 163 G CA 0.612 45.740 45.100 0.047 0.000 0.641 163 G HN 1.017 nan 8.290 nan 0.000 0.533 164 T N -1.643 112.967 114.554 0.094 0.000 2.648 164 T HA 0.710 5.061 4.350 0.002 0.000 0.304 164 T C -1.036 173.812 174.700 0.246 0.000 1.312 164 T CA 0.480 62.656 62.100 0.126 0.000 1.023 164 T CB 1.342 70.206 68.868 -0.006 0.000 1.612 164 T HN 1.517 nan 8.240 nan 0.000 0.487 165 Y N -1.038 119.201 120.300 -0.101 0.000 2.914 165 Y HA 0.813 5.364 4.550 0.002 0.000 0.327 165 Y C -1.709 174.033 175.900 -0.264 0.000 1.440 165 Y CA -1.222 56.877 58.100 -0.001 0.000 1.086 165 Y CB 0.808 39.304 38.460 0.060 0.000 1.544 165 Y HN 0.771 nan 8.280 nan 0.000 0.442 166 H N 0.268 119.230 119.070 -0.180 0.000 2.928 166 H HA 0.683 5.240 4.556 0.002 0.000 0.371 166 H C -1.303 173.946 175.328 -0.132 0.000 1.186 166 H CA -0.886 55.018 56.048 -0.241 0.000 1.134 166 H CB 2.048 31.778 29.762 -0.053 0.000 1.824 166 H HN 0.709 nan 8.280 nan 0.000 0.554 167 L N 1.744 122.968 121.223 0.002 0.000 2.343 167 L HA 0.524 4.865 4.340 0.002 0.000 0.275 167 L C 0.111 177.024 176.870 0.073 0.000 1.056 167 L CA -1.158 53.721 54.840 0.065 0.000 0.804 167 L CB 0.762 42.828 42.059 0.013 0.000 1.203 167 L HN 0.330 nan 8.230 nan 0.000 0.440 168 R N 1.380 121.915 120.500 0.057 0.000 2.390 168 R HA 0.056 4.397 4.340 0.002 0.000 0.291 168 R C 0.874 177.160 176.300 -0.024 0.000 1.070 168 R CA -0.288 55.823 56.100 0.017 0.000 1.014 168 R CB 0.757 31.057 30.300 0.001 0.000 1.007 168 R HN 0.686 nan 8.270 nan 0.000 0.466 169 E N 1.973 122.162 120.200 -0.019 0.000 2.200 169 E HA -0.337 4.014 4.350 0.002 0.000 0.211 169 E C 1.217 177.798 176.600 -0.032 0.000 1.048 169 E CA 2.738 59.117 56.400 -0.034 0.000 0.851 169 E CB 0.176 29.862 29.700 -0.023 0.000 0.747 169 E HN 0.697 nan 8.360 nan 0.000 0.462 170 S N -0.102 115.581 115.700 -0.028 0.000 2.368 170 S HA -0.192 4.279 4.470 0.002 0.000 0.224 170 S C 1.816 176.409 174.600 -0.012 0.000 1.029 170 S CA 1.230 59.437 58.200 0.011 0.000 0.988 170 S CB -0.398 62.833 63.200 0.051 0.000 0.838 170 S HN 0.413 nan 8.310 nan 0.000 0.462 171 E N 1.190 121.239 120.200 -0.253 0.000 2.110 171 E HA -0.100 4.251 4.350 0.002 0.000 0.193 171 E C 2.078 178.811 176.600 0.223 0.000 0.988 171 E CA 1.182 57.430 56.400 -0.253 0.000 0.804 171 E CB -0.402 29.164 29.700 -0.224 0.000 0.745 171 E HN 0.464 nan 8.360 nan 0.000 0.458 172 L N 0.940 122.191 121.223 0.047 0.000 2.017 172 L HA -0.164 4.177 4.340 0.002 0.000 0.208 172 L C 2.296 179.156 176.870 -0.016 0.000 1.073 172 L CA 1.349 56.153 54.840 -0.060 0.000 0.745 172 L CB -0.339 41.615 42.059 -0.176 0.000 0.894 172 L HN -0.071 nan 8.230 nan 0.000 0.432 173 V N -0.167 119.761 119.914 0.023 0.000 2.282 173 V HA -0.347 3.774 4.120 0.002 0.000 0.249 173 V C 2.356 178.543 176.094 0.156 0.000 1.057 173 V CA 2.331 64.658 62.300 0.046 0.000 1.032 173 V CB -1.023 30.829 31.823 0.048 0.000 0.645 173 V HN 0.617 nan 8.190 nan 0.000 0.447 174 F N 2.038 122.073 119.950 0.141 0.000 2.102 174 F HA -0.032 4.496 4.527 0.002 0.000 0.298 174 F C 2.170 178.117 175.800 0.245 0.000 1.105 174 F CA 1.741 59.878 58.000 0.228 0.000 1.239 174 F CB -0.960 38.254 39.000 0.356 0.000 0.991 174 F HN 0.117 nan 8.300 nan 0.000 0.474 175 G N -0.193 108.662 108.800 0.092 0.000 2.422 175 G HA2 -0.191 3.770 3.960 0.002 0.000 0.218 175 G HA3 -0.191 3.770 3.960 0.002 0.000 0.218 175 G C 1.817 176.581 174.900 -0.226 0.000 1.146 175 G CA 0.836 45.879 45.100 -0.095 0.000 0.769 175 G HN 0.654 nan 8.290 nan 0.000 0.547 176 A N 1.018 123.744 122.820 -0.157 0.000 1.877 176 A HA -0.012 4.309 4.320 0.002 0.000 0.216 176 A C 2.302 179.887 177.584 0.003 0.000 1.186 176 A CA 1.967 53.926 52.037 -0.130 0.000 0.620 176 A CB -0.394 18.563 19.000 -0.072 0.000 0.822 176 A HN 0.366 nan 8.150 nan 0.000 0.443 177 K N -0.671 119.772 120.400 0.071 0.000 2.103 177 K HA -0.163 4.158 4.320 0.002 0.000 0.207 177 K C 2.290 178.962 176.600 0.120 0.000 1.048 177 K CA 1.439 57.874 56.287 0.247 0.000 0.930 177 K CB -0.149 32.538 32.500 0.311 0.000 0.716 177 K HN 0.429 nan 8.250 nan 0.000 0.444 178 Q N 0.085 119.777 119.800 -0.179 0.000 2.119 178 Q HA -0.069 4.272 4.340 0.002 0.000 0.201 178 Q C 2.226 178.071 176.000 -0.260 0.000 0.972 178 Q CA 1.447 57.035 55.803 -0.359 0.000 0.847 178 Q CB -0.282 28.120 28.738 -0.560 0.000 0.903 178 Q HN 0.329 nan 8.270 nan 0.000 0.433 179 A N 0.401 123.071 122.820 -0.249 0.000 1.902 179 A HA -0.185 4.136 4.320 0.002 0.000 0.217 179 A C 1.822 179.403 177.584 -0.006 0.000 1.181 179 A CA 1.412 53.252 52.037 -0.329 0.000 0.623 179 A CB -0.971 17.510 19.000 -0.866 0.000 0.818 179 A HN 0.538 nan 8.150 nan 0.000 0.443 180 W N 0.973 122.262 121.300 -0.018 0.000 2.358 180 W HA -0.125 4.536 4.660 0.002 0.000 0.303 180 W C 2.295 178.769 176.519 -0.075 0.000 1.208 180 W CA 1.523 58.912 57.345 0.073 0.000 1.274 180 W CB -0.691 28.799 29.460 0.051 0.000 1.138 180 W HN 0.359 nan 8.180 nan 0.000 0.515 181 R N 0.339 120.728 120.500 -0.184 0.000 2.105 181 R HA -0.176 4.165 4.340 0.002 0.000 0.239 181 R C 1.447 177.555 176.300 -0.321 0.000 1.135 181 R CA 1.802 57.560 56.100 -0.571 0.000 0.967 181 R CB -0.547 29.087 30.300 -1.110 0.000 0.861 181 R HN 0.150 nan 8.270 nan 0.000 0.442 182 N N 0.294 118.875 118.700 -0.199 0.000 2.398 182 N HA 0.022 4.764 4.740 0.002 0.000 0.188 182 N C -0.375 175.087 175.510 -0.081 0.000 1.122 182 N CA 0.478 53.441 53.050 -0.145 0.000 0.866 182 N CB 0.640 39.043 38.487 -0.139 0.000 0.970 182 N HN 0.131 nan 8.380 nan 0.000 0.462 183 A N 2.407 125.231 122.820 0.006 0.000 2.500 183 A HA 0.197 4.518 4.320 0.002 0.000 0.285 183 A C -1.188 176.372 177.584 -0.039 0.000 1.183 183 A CA -0.873 51.173 52.037 0.015 0.000 0.851 183 A CB 0.209 19.267 19.000 0.097 0.000 1.091 183 A HN 0.000 nan 8.150 nan 0.000 0.521 184 P HA -0.149 nan 4.420 nan 0.000 0.218 184 P C 1.134 178.379 177.300 -0.093 0.000 1.148 184 P CA 1.191 64.228 63.100 -0.105 0.000 0.822 184 P CB 0.130 31.735 31.700 -0.159 0.000 0.784 185 R N -2.078 118.335 120.500 -0.145 0.000 2.313 185 R HA 0.112 4.454 4.340 0.002 0.000 0.199 185 R C 0.347 176.666 176.300 0.033 0.000 0.958 185 R CA -0.088 55.960 56.100 -0.087 0.000 1.047 185 R CB -0.612 29.454 30.300 -0.390 0.000 0.955 185 R HN 0.200 nan 8.270 nan 0.000 0.481 186 C N 0.502 119.793 119.300 -0.016 0.000 2.325 186 C HA 0.227 4.688 4.460 0.002 0.000 0.347 186 C C 1.779 176.696 174.990 -0.123 0.000 1.263 186 C CA -0.634 58.389 59.018 0.008 0.000 1.806 186 C CB 0.742 28.558 27.740 0.126 0.000 2.405 186 C HN 0.273 nan 8.230 nan 0.000 0.537 187 V N 5.953 125.759 119.914 -0.180 0.000 3.608 187 V HA 0.252 4.373 4.120 0.002 0.000 0.269 187 V C 1.709 177.783 176.094 -0.033 0.000 1.245 187 V CA 1.807 63.879 62.300 -0.380 0.000 1.138 187 V CB 0.029 31.660 31.823 -0.319 0.000 0.841 187 V HN 1.075 nan 8.190 nan 0.000 0.451 188 G N -0.518 108.316 108.800 0.057 0.000 3.284 188 G HA2 0.043 4.004 3.960 0.002 0.000 0.236 188 G HA3 0.043 4.004 3.960 0.002 0.000 0.236 188 G C 1.188 176.156 174.900 0.113 0.000 1.158 188 G CA -0.349 44.816 45.100 0.108 0.000 0.774 188 G HN 0.433 nan 8.290 nan 0.000 0.545 189 R N -0.236 120.249 120.500 -0.026 0.000 2.377 189 R HA 0.008 4.349 4.340 0.002 0.000 0.207 189 R C 1.815 177.751 176.300 -0.607 0.000 1.075 189 R CA 0.111 55.912 56.100 -0.497 0.000 1.035 189 R CB -0.141 29.777 30.300 -0.636 0.000 0.857 189 R HN 0.401 nan 8.270 nan 0.000 0.475 190 I N 0.782 121.199 120.570 -0.255 0.000 3.001 190 I HA -0.179 3.992 4.170 0.002 0.000 0.268 190 I C 1.310 177.382 176.117 -0.076 0.000 1.267 190 I CA 1.393 62.687 61.300 -0.010 0.000 1.472 190 I CB 0.149 38.207 38.000 0.096 0.000 1.089 190 I HN 0.077 nan 8.210 nan 0.000 0.468 191 Q N -0.309 119.366 119.800 -0.209 0.000 2.282 191 Q HA -0.024 4.317 4.340 0.002 0.000 0.206 191 Q C 1.667 177.275 176.000 -0.653 0.000 0.878 191 Q CA 0.238 55.903 55.803 -0.230 0.000 0.944 191 Q CB -0.362 28.409 28.738 0.055 0.000 1.100 191 Q HN 0.810 nan 8.270 nan 0.000 0.509 192 W N 0.662 121.201 121.300 -1.269 0.000 2.303 192 W HA -0.194 4.467 4.660 0.002 0.000 0.287 192 W C 1.078 177.293 176.519 -0.507 0.000 1.213 192 W CA 1.295 57.758 57.345 -1.470 0.000 1.203 192 W CB -1.244 27.570 29.460 -1.077 0.000 1.136 192 W HN 0.066 nan 8.180 nan 0.000 0.547 193 G N 1.020 109.186 108.800 -1.057 0.000 2.511 193 G HA2 -0.166 3.795 3.960 0.002 0.000 0.217 193 G HA3 -0.166 3.795 3.960 0.002 0.000 0.217 193 G C 0.932 175.644 174.900 -0.314 0.000 1.133 193 G CA 0.011 44.585 45.100 -0.877 0.000 0.792 193 G HN 0.226 nan 8.290 nan 0.000 0.539 194 K N 0.355 120.658 120.400 -0.161 0.000 2.265 194 K HA 0.461 4.782 4.320 0.002 0.000 0.242 194 K C -1.395 175.313 176.600 0.179 0.000 1.137 194 K CA -0.510 55.788 56.287 0.020 0.000 1.082 194 K CB 0.060 32.598 32.500 0.063 0.000 1.731 194 K HN 0.098 nan 8.250 nan 0.000 0.392 195 L N 2.732 124.045 121.223 0.150 0.000 2.404 195 L HA 0.335 4.676 4.340 0.002 0.000 0.272 195 L C -1.125 175.748 176.870 0.005 0.000 0.980 195 L CA -0.505 54.440 54.840 0.174 0.000 0.836 195 L CB 1.739 43.982 42.059 0.306 0.000 1.238 195 L HN 0.301 nan 8.230 nan 0.000 0.408 196 Q N 3.403 123.155 119.800 -0.079 0.000 2.307 196 Q HA 0.420 4.761 4.340 0.002 0.000 0.261 196 Q C -1.386 174.278 176.000 -0.561 0.000 1.051 196 Q CA 0.060 55.648 55.803 -0.359 0.000 0.911 196 Q CB 0.891 29.331 28.738 -0.497 0.000 1.227 196 Q HN 0.545 nan 8.270 nan 0.000 0.418 197 V N 6.372 125.981 119.914 -0.508 0.000 2.383 197 V HA 0.378 4.499 4.120 0.002 0.000 0.275 197 V C -0.565 175.181 176.094 -0.579 0.000 1.036 197 V CA -0.449 61.596 62.300 -0.427 0.000 0.889 197 V CB 0.270 31.964 31.823 -0.216 0.000 0.985 197 V HN 0.615 nan 8.190 nan 0.000 0.459 198 F N 2.654 122.489 119.950 -0.191 0.000 2.415 198 F HA 0.401 4.929 4.527 0.002 0.000 0.348 198 F C 0.409 176.078 175.800 -0.217 0.000 1.119 198 F CA -1.029 56.864 58.000 -0.178 0.000 1.069 198 F CB 1.226 40.135 39.000 -0.152 0.000 1.124 198 F HN 0.401 nan 8.300 nan 0.000 0.472 199 D N 2.912 123.309 120.400 -0.006 0.000 2.380 199 D HA 0.424 5.065 4.640 0.002 0.000 0.230 199 D C 0.030 176.197 176.300 -0.222 0.000 1.154 199 D CA 0.009 53.931 54.000 -0.131 0.000 0.859 199 D CB 1.228 41.981 40.800 -0.079 0.000 1.045 199 D HN 0.616 nan 8.370 nan 0.000 0.495 200 A N 4.471 126.971 122.820 -0.534 0.000 2.630 200 A HA 0.163 4.484 4.320 0.002 0.000 0.290 200 A C 1.565 178.824 177.584 -0.541 0.000 1.267 200 A CA -0.366 51.055 52.037 -1.025 0.000 0.950 200 A CB 0.026 17.949 19.000 -1.794 0.000 1.144 200 A HN 0.529 nan 8.150 nan 0.000 0.527 201 R N 0.966 121.296 120.500 -0.285 0.000 2.316 201 R HA -0.052 4.290 4.340 0.002 0.000 0.202 201 R C 0.133 176.381 176.300 -0.086 0.000 1.029 201 R CA 1.071 57.088 56.100 -0.139 0.000 1.018 201 R CB 0.065 30.343 30.300 -0.036 0.000 0.888 201 R HN 0.650 nan 8.270 nan 0.000 0.471 202 D N -0.146 120.214 120.400 -0.067 0.000 3.072 202 D HA -0.005 4.636 4.640 0.002 0.000 0.250 202 D C -0.777 175.561 176.300 0.064 0.000 1.304 202 D CA -0.293 53.719 54.000 0.022 0.000 0.861 202 D CB -0.285 40.553 40.800 0.064 0.000 1.062 202 D HN -0.045 nan 8.370 nan 0.000 0.481 203 C N 1.128 120.428 119.300 0.000 0.000 2.322 203 C HA 0.528 4.989 4.460 0.002 0.000 0.324 203 C C 1.337 176.405 174.990 0.131 0.000 1.284 203 C CA -0.187 58.876 59.018 0.075 0.000 1.606 203 C CB 0.719 28.469 27.740 0.017 0.000 2.251 203 C HN 0.534 nan 8.230 nan 0.000 0.502 204 S N 2.132 117.967 115.700 0.224 0.000 2.666 204 S HA 0.289 4.761 4.470 0.002 0.000 0.239 204 S C 0.106 174.867 174.600 0.268 0.000 1.031 204 S CA 0.106 58.478 58.200 0.285 0.000 1.015 204 S CB -0.101 63.209 63.200 0.184 0.000 0.981 204 S HN 1.060 nan 8.310 nan 0.000 0.547 205 S N -0.400 115.450 115.700 0.250 0.000 2.607 205 S HA 0.837 5.308 4.470 0.002 0.000 0.273 205 S C 0.829 175.521 174.600 0.154 0.000 1.148 205 S CA -0.353 57.955 58.200 0.179 0.000 0.833 205 S CB 1.093 64.379 63.200 0.143 0.000 1.130 205 S HN 0.407 nan 8.310 nan 0.000 0.470 206 A N 0.856 123.747 122.820 0.117 0.000 1.898 206 A HA -0.054 4.267 4.320 0.002 0.000 0.216 206 A C 2.084 179.638 177.584 -0.051 0.000 1.181 206 A CA 1.700 53.770 52.037 0.055 0.000 0.620 206 A CB -1.210 17.905 19.000 0.193 0.000 0.819 206 A HN 0.874 nan 8.150 nan 0.000 0.442 207 Q N -0.727 119.186 119.800 0.189 0.000 2.135 207 Q HA -0.221 4.120 4.340 0.002 0.000 0.204 207 Q C 2.004 178.062 176.000 0.097 0.000 0.981 207 Q CA 1.807 57.736 55.803 0.210 0.000 0.856 207 Q CB -0.135 28.779 28.738 0.294 0.000 0.902 207 Q HN 0.793 nan 8.270 nan 0.000 0.425 208 E N -0.158 120.113 120.200 0.117 0.000 2.107 208 E HA -0.131 4.220 4.350 0.002 0.000 0.191 208 E C 1.912 178.650 176.600 0.231 0.000 0.982 208 E CA 0.758 57.260 56.400 0.169 0.000 0.809 208 E CB 0.080 29.913 29.700 0.222 0.000 0.756 208 E HN 0.362 nan 8.360 nan 0.000 0.459 209 M N -0.328 119.324 119.600 0.085 0.000 2.117 209 M HA -0.146 4.335 4.480 0.002 0.000 0.262 209 M C 2.095 178.405 176.300 0.017 0.000 1.065 209 M CA 1.301 56.583 55.300 -0.030 0.000 1.114 209 M CB -0.261 32.075 32.600 -0.439 0.000 1.361 209 M HN 0.165 nan 8.290 nan 0.000 0.408 210 F N 0.841 120.570 119.950 -0.369 0.000 2.171 210 F HA -0.221 4.307 4.527 0.002 0.000 0.300 210 F C 2.178 177.883 175.800 -0.157 0.000 1.090 210 F CA 1.560 59.304 58.000 -0.427 0.000 1.293 210 F CB -0.100 38.343 39.000 -0.930 0.000 1.013 210 F HN 0.032 nan 8.300 nan 0.000 0.486 211 T N -0.434 113.986 114.554 -0.223 0.000 2.737 211 T HA -0.210 4.141 4.350 0.002 0.000 0.265 211 T C 1.537 176.061 174.700 -0.293 0.000 1.038 211 T CA 1.811 63.724 62.100 -0.311 0.000 1.144 211 T CB -0.719 68.026 68.868 -0.205 0.000 0.866 211 T HN 0.328 nan 8.240 nan 0.000 0.434 212 Y N 1.073 121.318 120.300 -0.093 0.000 2.128 212 Y HA -0.098 4.453 4.550 0.002 0.000 0.284 212 Y C 2.300 178.141 175.900 -0.099 0.000 1.154 212 Y CA 1.059 59.119 58.100 -0.067 0.000 1.149 212 Y CB -0.410 38.124 38.460 0.123 0.000 0.976 212 Y HN 0.175 nan 8.280 nan 0.000 0.505 213 I N -1.619 119.016 120.570 0.109 0.000 2.226 213 I HA -0.354 3.818 4.170 0.002 0.000 0.245 213 I C 2.325 178.353 176.117 -0.150 0.000 1.100 213 I CA 0.976 62.276 61.300 0.000 0.000 1.374 213 I CB -0.550 37.445 38.000 -0.008 0.000 1.057 213 I HN 0.303 nan 8.210 nan 0.000 0.413 214 C N 0.787 119.868 119.300 -0.364 0.000 2.422 214 C HA -0.131 4.330 4.460 0.002 0.000 0.279 214 C C 2.599 177.460 174.990 -0.214 0.000 1.305 214 C CA 0.876 59.673 59.018 -0.369 0.000 1.757 214 C CB -1.418 25.959 27.740 -0.606 0.000 1.962 214 C HN 0.538 nan 8.230 nan 0.000 0.499 215 N N -0.451 118.112 118.700 -0.228 0.000 2.250 215 N HA -0.090 4.651 4.740 0.002 0.000 0.181 215 N C 1.476 176.868 175.510 -0.197 0.000 1.017 215 N CA 1.074 53.987 53.050 -0.228 0.000 0.866 215 N CB -0.668 37.614 38.487 -0.343 0.000 0.985 215 N HN 0.739 nan 8.380 nan 0.000 0.429 216 H N 1.094 119.977 119.070 -0.311 0.000 2.319 216 H HA 0.004 4.561 4.556 0.002 0.000 0.299 216 H C 2.163 177.495 175.328 0.008 0.000 1.092 216 H CA 1.637 57.565 56.048 -0.198 0.000 1.302 216 H CB -0.005 29.706 29.762 -0.085 0.000 1.373 216 H HN 0.079 nan 8.280 nan 0.000 0.497 217 I N 0.723 121.420 120.570 0.211 0.000 2.127 217 I HA -0.296 3.875 4.170 0.002 0.000 0.241 217 I C 2.463 178.651 176.117 0.118 0.000 1.075 217 I CA 1.560 62.954 61.300 0.157 0.000 1.334 217 I CB -0.336 37.686 38.000 0.036 0.000 1.040 217 I HN 0.331 nan 8.210 nan 0.000 0.405 218 K N 0.012 120.446 120.400 0.056 0.000 2.044 218 K HA -0.266 4.055 4.320 0.002 0.000 0.210 218 K C 2.244 178.887 176.600 0.073 0.000 1.049 218 K CA 2.073 58.385 56.287 0.041 0.000 0.927 218 K CB -0.516 31.989 32.500 0.008 0.000 0.713 218 K HN 0.280 nan 8.250 nan 0.000 0.443 219 Y N 1.372 121.676 120.300 0.007 0.000 2.089 219 Y HA -0.248 4.303 4.550 0.002 0.000 0.282 219 Y C 2.319 178.275 175.900 0.092 0.000 1.139 219 Y CA 1.566 59.703 58.100 0.062 0.000 1.123 219 Y CB -0.520 38.015 38.460 0.125 0.000 0.980 219 Y HN 0.064 nan 8.280 nan 0.000 0.493 220 A N -0.441 122.564 122.820 0.308 0.000 1.892 220 A HA -0.245 4.076 4.320 0.002 0.000 0.218 220 A C 2.233 179.888 177.584 0.119 0.000 1.188 220 A CA 2.638 54.824 52.037 0.248 0.000 0.631 220 A CB -1.475 17.734 19.000 0.348 0.000 0.822 220 A HN 0.552 nan 8.150 nan 0.000 0.447 221 T N -0.671 113.946 114.554 0.105 0.000 2.708 221 T HA -0.128 4.223 4.350 0.002 0.000 0.266 221 T C 1.007 175.714 174.700 0.010 0.000 1.037 221 T CA 1.072 63.217 62.100 0.076 0.000 1.146 221 T CB -0.573 68.337 68.868 0.070 0.000 0.865 221 T HN 0.751 nan 8.240 nan 0.000 0.435 222 N N 0.770 119.443 118.700 -0.045 0.000 2.707 222 N HA -0.288 4.453 4.740 0.002 0.000 0.253 222 N C -0.554 174.926 175.510 -0.050 0.000 0.998 222 N CA -0.132 52.867 53.050 -0.087 0.000 0.751 222 N CB -0.306 38.088 38.487 -0.156 0.000 0.920 222 N HN 0.158 nan 8.380 nan 0.000 0.539 223 R N -2.209 118.274 120.500 -0.028 0.000 3.875 223 R HA -0.215 4.126 4.340 0.002 0.000 0.321 223 R C 1.197 177.479 176.300 -0.030 0.000 1.196 223 R CA 1.544 57.628 56.100 -0.026 0.000 0.868 223 R CB -2.290 27.991 30.300 -0.032 0.000 1.333 223 R HN 1.050 nan 8.270 nan 0.000 0.522 224 G N -0.349 108.439 108.800 -0.018 0.000 2.201 224 G HA2 -0.304 3.658 3.960 0.002 0.000 0.212 224 G HA3 -0.304 3.658 3.960 0.002 0.000 0.212 224 G C 0.003 174.889 174.900 -0.024 0.000 0.994 224 G CA 0.170 45.257 45.100 -0.022 0.000 0.644 224 G HN 0.452 nan 8.290 nan 0.000 0.508 225 N N 1.049 119.727 118.700 -0.037 0.000 3.194 225 N HA 0.440 5.181 4.740 0.002 0.000 0.271 225 N C 0.280 175.766 175.510 -0.041 0.000 1.308 225 N CA -0.763 52.250 53.050 -0.062 0.000 1.042 225 N CB -0.037 38.408 38.487 -0.071 0.000 1.310 225 N HN 0.097 nan 8.380 nan 0.000 0.502 226 L N 2.098 123.327 121.223 0.010 0.000 2.573 226 L HA -0.031 4.310 4.340 0.002 0.000 0.290 226 L C 0.662 177.644 176.870 0.186 0.000 1.247 226 L CA 1.207 56.122 54.840 0.125 0.000 0.876 226 L CB 0.026 42.242 42.059 0.263 0.000 1.123 226 L HN 0.365 nan 8.230 nan 0.000 0.505 227 R N 1.496 122.124 120.500 0.212 0.000 2.532 227 R HA 0.411 4.753 4.340 0.002 0.000 0.297 227 R C -0.568 175.921 176.300 0.316 0.000 0.984 227 R CA -0.662 55.593 56.100 0.258 0.000 0.884 227 R CB 1.618 31.947 30.300 0.048 0.000 1.182 227 R HN 0.592 nan 8.270 nan 0.000 0.442 228 S N 1.598 117.488 115.700 0.315 0.000 2.552 228 S HA 0.390 4.861 4.470 0.002 0.000 0.289 228 S C -0.133 174.545 174.600 0.129 0.000 1.304 228 S CA -0.092 58.189 58.200 0.135 0.000 1.063 228 S CB 1.041 64.272 63.200 0.051 0.000 0.848 228 S HN 0.714 nan 8.310 nan 0.000 0.499 229 A N 2.596 125.452 122.820 0.060 0.000 2.608 229 A HA 0.805 5.127 4.320 0.002 0.000 0.292 229 A C -1.347 176.281 177.584 0.073 0.000 1.066 229 A CA -0.661 51.355 52.037 -0.035 0.000 0.676 229 A CB 1.140 20.072 19.000 -0.113 0.000 1.277 229 A HN 0.782 nan 8.150 nan 0.000 0.413 230 I N 0.435 121.038 120.570 0.054 0.000 2.656 230 I HA 0.640 4.811 4.170 0.002 0.000 0.292 230 I C -1.077 175.167 176.117 0.211 0.000 1.144 230 I CA -0.089 61.364 61.300 0.256 0.000 1.038 230 I CB 2.442 40.547 38.000 0.174 0.000 1.244 230 I HN 0.638 nan 8.210 nan 0.000 0.420 231 T N 6.122 120.837 114.554 0.269 0.000 2.792 231 T HA 0.507 4.858 4.350 0.002 0.000 0.280 231 T C -0.810 173.704 174.700 -0.310 0.000 0.990 231 T CA -0.415 61.697 62.100 0.020 0.000 0.960 231 T CB 1.700 70.572 68.868 0.007 0.000 0.939 231 T HN 0.243 nan 8.240 nan 0.000 0.439 232 V N 4.599 124.242 119.914 -0.451 0.000 2.384 232 V HA 0.526 4.647 4.120 0.002 0.000 0.287 232 V C -0.638 175.105 176.094 -0.584 0.000 1.020 232 V CA -0.789 61.243 62.300 -0.446 0.000 0.850 232 V CB 0.484 32.044 31.823 -0.440 0.000 0.987 232 V HN 0.722 nan 8.190 nan 0.000 0.436 233 F N 4.664 124.548 119.950 -0.109 0.000 2.411 233 F HA 0.557 5.085 4.527 0.002 0.000 0.324 233 F C -1.910 173.801 175.800 -0.148 0.000 1.086 233 F CA -2.683 55.180 58.000 -0.229 0.000 1.028 233 F CB 0.380 39.238 39.000 -0.237 0.000 1.284 233 F HN 0.293 nan 8.300 nan 0.000 0.501 234 P HA -0.070 nan 4.420 nan 0.000 0.261 234 P C -0.843 176.455 177.300 -0.003 0.000 1.165 234 P CA 0.135 63.125 63.100 -0.183 0.000 0.759 234 P CB 0.123 31.477 31.700 -0.578 0.000 0.772 235 Q N 3.874 123.620 119.800 -0.090 0.000 2.524 235 Q HA 0.108 4.449 4.340 0.002 0.000 0.246 235 Q C -0.084 175.802 176.000 -0.189 0.000 1.063 235 Q CA -0.201 55.307 55.803 -0.491 0.000 0.945 235 Q CB 0.536 28.752 28.738 -0.870 0.000 1.292 235 Q HN 0.356 nan 8.270 nan 0.000 0.518 236 R N -0.190 120.176 120.500 -0.223 0.000 2.774 236 R HA 0.509 4.850 4.340 0.002 0.000 0.269 236 R C -0.678 175.569 176.300 -0.088 0.000 1.068 236 R CA 0.237 56.290 56.100 -0.078 0.000 1.180 236 R CB 0.546 30.793 30.300 -0.088 0.000 1.077 236 R HN 0.751 nan 8.270 nan 0.000 0.513 237 A N 2.036 124.839 122.820 -0.029 0.000 2.459 237 A HA 0.460 4.781 4.320 0.002 0.000 0.296 237 A C -2.569 175.008 177.584 -0.012 0.000 1.039 237 A CA -1.772 50.251 52.037 -0.023 0.000 0.698 237 A CB 1.459 20.471 19.000 0.019 0.000 1.261 237 A HN 0.400 nan 8.150 nan 0.000 0.405 238 P HA 0.273 nan 4.420 nan 0.000 0.262 238 P C 1.032 178.333 177.300 0.002 0.000 1.182 238 P CA 2.147 65.243 63.100 -0.006 0.000 0.761 238 P CB 0.528 32.227 31.700 -0.002 0.000 0.795 239 G N 2.040 110.840 108.800 0.001 0.000 2.249 239 G HA2 -0.280 3.681 3.960 0.002 0.000 0.273 239 G HA3 -0.280 3.681 3.960 0.002 0.000 0.273 239 G C 0.114 175.016 174.900 0.003 0.000 1.036 239 G CA -0.021 45.081 45.100 0.003 0.000 0.824 239 G HN 0.757 nan 8.290 nan 0.000 0.504 240 R N -0.445 120.056 120.500 0.001 0.000 2.626 240 R HA 0.550 4.891 4.340 0.002 0.000 0.274 240 R C 0.714 177.006 176.300 -0.013 0.000 1.031 240 R CA -0.136 55.962 56.100 -0.004 0.000 0.898 240 R CB 0.956 31.260 30.300 0.007 0.000 1.222 240 R HN 0.535 nan 8.270 nan 0.000 0.455 241 G N 1.730 110.511 108.800 -0.031 0.000 2.664 241 G HA2 0.045 4.006 3.960 0.002 0.000 0.242 241 G HA3 0.045 4.006 3.960 0.002 0.000 0.242 241 G C -0.504 174.366 174.900 -0.049 0.000 1.225 241 G CA -0.267 44.812 45.100 -0.034 0.000 0.849 241 G HN 0.574 nan 8.290 nan 0.000 0.581 242 D N -0.467 119.926 120.400 -0.012 0.000 2.304 242 D HA 0.294 4.935 4.640 0.002 0.000 0.247 242 D C -0.193 176.115 176.300 0.014 0.000 1.089 242 D CA 0.076 54.099 54.000 0.037 0.000 0.910 242 D CB 0.982 41.821 40.800 0.066 0.000 1.199 242 D HN 0.108 nan 8.370 nan 0.000 0.426 243 F N 1.939 121.916 119.950 0.044 0.000 2.438 243 F HA 0.286 4.814 4.527 0.002 0.000 0.356 243 F C 1.092 176.924 175.800 0.052 0.000 1.099 243 F CA 0.102 58.118 58.000 0.026 0.000 1.185 243 F CB 0.594 39.604 39.000 0.016 0.000 1.115 243 F HN -0.163 nan 8.300 nan 0.000 0.526 244 R N 3.826 124.457 120.500 0.217 0.000 2.740 244 R HA 0.537 4.879 4.340 0.002 0.000 0.273 244 R C -1.279 175.167 176.300 0.244 0.000 0.998 244 R CA -0.892 55.350 56.100 0.236 0.000 0.900 244 R CB 2.278 32.749 30.300 0.284 0.000 1.223 244 R HN 0.609 nan 8.270 nan 0.000 0.466 245 I N 1.792 122.498 120.570 0.226 0.000 2.359 245 I HA 0.150 4.321 4.170 0.002 0.000 0.284 245 I C 0.435 176.749 176.117 0.328 0.000 1.018 245 I CA -0.469 60.954 61.300 0.205 0.000 1.173 245 I CB 1.198 39.262 38.000 0.106 0.000 1.326 245 I HN 0.532 nan 8.210 nan 0.000 0.462 246 W N 3.634 124.983 121.300 0.082 0.000 2.350 246 W HA -0.139 4.522 4.660 0.002 0.000 0.289 246 W C 0.890 177.527 176.519 0.197 0.000 1.215 246 W CA 0.319 57.784 57.345 0.200 0.000 1.236 246 W CB -0.818 28.737 29.460 0.159 0.000 1.130 246 W HN 0.418 nan 8.180 nan 0.000 0.541 247 N N -0.271 118.595 118.700 0.277 0.000 2.530 247 N HA 0.059 4.801 4.740 0.002 0.000 0.273 247 N C 1.094 176.663 175.510 0.099 0.000 1.173 247 N CA 0.639 53.776 53.050 0.145 0.000 0.967 247 N CB 0.856 39.368 38.487 0.041 0.000 1.109 247 N HN -0.134 nan 8.380 nan 0.000 0.453 248 S N 0.309 116.061 115.700 0.088 0.000 2.561 248 S HA 0.004 4.475 4.470 0.002 0.000 0.225 248 S C 0.304 174.898 174.600 -0.009 0.000 0.977 248 S CA 0.420 58.655 58.200 0.058 0.000 0.926 248 S CB -0.023 63.234 63.200 0.095 0.000 0.769 248 S HN 0.645 nan 8.310 nan 0.000 0.533 249 Q N -0.577 119.201 119.800 -0.037 0.000 2.353 249 Q HA 0.420 4.762 4.340 0.002 0.000 0.275 249 Q C 0.028 175.940 176.000 -0.148 0.000 1.029 249 Q CA -0.478 55.263 55.803 -0.104 0.000 0.848 249 Q CB 1.822 30.528 28.738 -0.054 0.000 1.390 249 Q HN 0.133 nan 8.270 nan 0.000 0.401 250 L N 0.576 121.689 121.223 -0.184 0.000 2.127 250 L HA -0.028 4.313 4.340 0.002 0.000 0.211 250 L C 0.439 177.169 176.870 -0.232 0.000 1.089 250 L CA 1.056 55.790 54.840 -0.176 0.000 0.757 250 L CB 0.070 42.016 42.059 -0.188 0.000 0.899 250 L HN 0.276 nan 8.230 nan 0.000 0.434 251 V N 0.342 120.031 119.914 -0.375 0.000 2.487 251 V HA 0.496 4.617 4.120 0.002 0.000 0.298 251 V C -0.252 175.269 176.094 -0.953 0.000 1.028 251 V CA -0.699 61.215 62.300 -0.644 0.000 0.860 251 V CB 1.901 33.245 31.823 -0.797 0.000 0.991 251 V HN 0.198 nan 8.190 nan 0.000 0.427 252 R N 2.619 122.670 120.500 -0.749 0.000 2.710 252 R HA 0.517 4.858 4.340 0.002 0.000 0.270 252 R C -1.981 174.082 176.300 -0.396 0.000 1.021 252 R CA -0.907 54.867 56.100 -0.544 0.000 0.889 252 R CB 2.349 32.531 30.300 -0.196 0.000 1.243 252 R HN 0.549 nan 8.270 nan 0.000 0.464 253 Y N 0.387 120.669 120.300 -0.030 0.000 2.334 253 Y HA 0.470 5.022 4.550 0.002 0.000 0.328 253 Y C 0.816 176.667 175.900 -0.082 0.000 1.130 253 Y CA -0.770 57.321 58.100 -0.014 0.000 1.163 253 Y CB 1.374 39.886 38.460 0.088 0.000 1.207 253 Y HN 0.718 nan 8.280 nan 0.000 0.471 254 A N 1.537 124.363 122.820 0.010 0.000 2.425 254 A HA 0.557 4.878 4.320 0.002 0.000 0.242 254 A C 0.570 177.892 177.584 -0.436 0.000 1.077 254 A CA 0.269 52.140 52.037 -0.277 0.000 0.781 254 A CB -0.228 18.509 19.000 -0.437 0.000 1.020 254 A HN 0.942 nan 8.150 nan 0.000 0.494 255 G N 0.251 108.791 108.800 -0.434 0.000 2.605 255 G HA2 0.539 4.500 3.960 0.002 0.000 0.304 255 G HA3 0.539 4.500 3.960 0.002 0.000 0.304 255 G C -1.055 173.676 174.900 -0.282 0.000 1.333 255 G CA -0.250 44.657 45.100 -0.320 0.000 0.973 255 G HN 0.568 nan 8.290 nan 0.000 0.507 256 Y N 3.000 123.306 120.300 0.011 0.000 2.504 256 Y HA 0.364 4.916 4.550 0.002 0.000 0.339 256 Y C 1.176 177.075 175.900 -0.002 0.000 0.974 256 Y CA -1.235 56.877 58.100 0.020 0.000 1.232 256 Y CB 0.875 39.346 38.460 0.019 0.000 1.108 256 Y HN 0.200 nan 8.280 nan 0.000 0.509 257 R N 3.243 123.827 120.500 0.140 0.000 2.583 257 R HA 0.041 4.382 4.340 0.002 0.000 0.274 257 R C -0.201 176.144 176.300 0.076 0.000 0.998 257 R CA 0.488 56.636 56.100 0.079 0.000 1.081 257 R CB 0.505 30.840 30.300 0.059 0.000 0.940 257 R HN 0.789 nan 8.270 nan 0.000 0.413 258 Q N 0.851 120.679 119.800 0.047 0.000 2.572 258 Q HA 0.079 4.420 4.340 0.002 0.000 0.284 258 Q C 1.274 177.283 176.000 0.015 0.000 1.091 258 Q CA -0.828 54.992 55.803 0.029 0.000 0.840 258 Q CB 1.345 30.098 28.738 0.025 0.000 1.433 258 Q HN 0.543 nan 8.270 nan 0.000 0.471 259 Q N 1.026 120.829 119.800 0.005 0.000 2.012 259 Q HA -0.236 4.105 4.340 0.002 0.000 0.211 259 Q C 0.196 176.199 176.000 0.004 0.000 1.009 259 Q CA 2.169 57.973 55.803 0.001 0.000 0.866 259 Q CB -0.878 27.857 28.738 -0.005 0.000 0.945 259 Q HN 0.776 nan 8.270 nan 0.000 0.414 260 D N 0.018 120.421 120.400 0.004 0.000 2.994 260 D HA 0.220 4.862 4.640 0.002 0.000 0.240 260 D C 0.886 177.190 176.300 0.008 0.000 1.195 260 D CA 0.389 54.392 54.000 0.004 0.000 0.957 260 D CB -0.400 40.401 40.800 0.002 0.000 1.105 260 D HN 0.612 nan 8.370 nan 0.000 0.477 261 G N 0.507 109.313 108.800 0.010 0.000 2.230 261 G HA2 -0.382 3.579 3.960 0.002 0.000 0.270 261 G HA3 -0.382 3.579 3.960 0.002 0.000 0.270 261 G C 0.582 175.490 174.900 0.013 0.000 0.987 261 G CA 0.898 46.006 45.100 0.013 0.000 0.664 261 G HN 0.701 nan 8.290 nan 0.000 0.539 262 S N -1.348 114.358 115.700 0.011 0.000 2.596 262 S HA 0.513 4.985 4.470 0.002 0.000 0.260 262 S C 0.178 174.784 174.600 0.010 0.000 1.336 262 S CA 0.456 58.661 58.200 0.008 0.000 0.993 262 S CB 1.165 64.369 63.200 0.007 0.000 0.923 262 S HN 1.031 nan 8.310 nan 0.000 0.567 263 V N 3.359 123.271 119.914 -0.005 0.000 2.567 263 V HA 0.408 4.529 4.120 0.002 0.000 0.298 263 V C -0.201 175.866 176.094 -0.045 0.000 1.047 263 V CA -0.707 61.585 62.300 -0.015 0.000 0.880 263 V CB 1.493 33.292 31.823 -0.040 0.000 1.009 263 V HN 0.887 nan 8.190 nan 0.000 0.429 264 R N 3.287 123.791 120.500 0.007 0.000 2.202 264 R HA 0.655 4.996 4.340 0.002 0.000 0.334 264 R C 0.652 176.900 176.300 -0.086 0.000 1.036 264 R CA 1.027 57.126 56.100 -0.002 0.000 0.878 264 R CB 0.783 31.147 30.300 0.108 0.000 1.067 264 R HN 1.197 nan 8.270 nan 0.000 0.457 265 G N 2.977 111.604 108.800 -0.287 0.000 2.378 265 G HA2 -0.232 3.730 3.960 0.002 0.000 0.198 265 G HA3 -0.232 3.730 3.960 0.002 0.000 0.198 265 G C -1.384 173.048 174.900 -0.780 0.000 1.223 265 G CA -0.339 44.483 45.100 -0.464 0.000 1.088 265 G HN 0.595 nan 8.290 nan 0.000 0.530 266 D N 1.601 121.720 120.400 -0.469 0.000 2.393 266 D HA 0.516 5.157 4.640 0.002 0.000 0.232 266 D C -0.972 175.232 176.300 -0.160 0.000 1.192 266 D CA -1.906 51.912 54.000 -0.303 0.000 0.882 266 D CB 1.324 42.276 40.800 0.254 0.000 1.038 266 D HN -0.015 nan 8.370 nan 0.000 0.499 267 P HA -0.124 nan 4.420 nan 0.000 0.218 267 P C 0.817 178.126 177.300 0.015 0.000 1.146 267 P CA 0.994 64.055 63.100 -0.064 0.000 0.813 267 P CB 0.290 31.964 31.700 -0.044 0.000 0.778 268 A N -0.983 121.869 122.820 0.054 0.000 2.119 268 A HA -0.062 4.259 4.320 0.002 0.000 0.216 268 A C 1.542 179.180 177.584 0.089 0.000 1.152 268 A CA 1.077 53.173 52.037 0.098 0.000 0.708 268 A CB -0.718 18.361 19.000 0.132 0.000 0.805 268 A HN 0.134 nan 8.150 nan 0.000 0.460 269 N N -0.134 118.600 118.700 0.057 0.000 2.321 269 N HA 0.164 4.905 4.740 0.002 0.000 0.242 269 N C 0.981 176.483 175.510 -0.014 0.000 1.141 269 N CA 0.129 53.198 53.050 0.031 0.000 0.864 269 N CB 0.873 39.373 38.487 0.023 0.000 1.100 269 N HN 0.204 nan 8.380 nan 0.000 0.510 270 V N 0.635 120.548 119.914 -0.001 0.000 2.283 270 V HA -0.182 3.939 4.120 0.002 0.000 0.243 270 V C 2.401 178.497 176.094 0.005 0.000 1.039 270 V CA 1.574 63.870 62.300 -0.006 0.000 1.016 270 V CB -0.262 31.569 31.823 0.013 0.000 0.650 270 V HN 0.362 nan 8.190 nan 0.000 0.449 271 E N -0.170 120.042 120.200 0.020 0.000 2.058 271 E HA -0.278 4.073 4.350 0.002 0.000 0.194 271 E C 2.121 178.661 176.600 -0.099 0.000 0.997 271 E CA 1.848 58.243 56.400 -0.008 0.000 0.801 271 E CB -0.164 29.580 29.700 0.072 0.000 0.746 271 E HN 0.482 nan 8.360 nan 0.000 0.450 272 I N 0.606 121.131 120.570 -0.074 0.000 2.546 272 I HA -0.162 4.009 4.170 0.002 0.000 0.255 272 I C 1.936 178.001 176.117 -0.087 0.000 1.163 272 I CA 1.394 62.620 61.300 -0.124 0.000 1.457 272 I CB -0.196 37.786 38.000 -0.029 0.000 1.092 272 I HN 0.051 nan 8.210 nan 0.000 0.434 273 T N 0.157 114.679 114.554 -0.053 0.000 2.951 273 T HA -0.099 4.252 4.350 0.002 0.000 0.268 273 T C 1.682 176.440 174.700 0.096 0.000 1.073 273 T CA 1.392 63.488 62.100 -0.008 0.000 1.134 273 T CB -0.182 68.676 68.868 -0.017 0.000 0.884 273 T HN 0.469 nan 8.240 nan 0.000 0.479 274 E N 0.658 120.886 120.200 0.047 0.000 2.158 274 E HA 0.076 4.427 4.350 0.002 0.000 0.191 274 E C 2.081 178.700 176.600 0.032 0.000 0.982 274 E CA 0.501 56.936 56.400 0.059 0.000 0.823 274 E CB -0.144 29.570 29.700 0.023 0.000 0.766 274 E HN 0.393 nan 8.360 nan 0.000 0.468 275 L N 0.342 121.549 121.223 -0.026 0.000 2.093 275 L HA -0.189 4.152 4.340 0.002 0.000 0.208 275 L C 2.475 179.429 176.870 0.140 0.000 1.085 275 L CA 0.656 55.512 54.840 0.027 0.000 0.755 275 L CB -0.274 41.739 42.059 -0.076 0.000 0.904 275 L HN 0.291 nan 8.230 nan 0.000 0.435 276 C N -0.191 119.152 119.300 0.072 0.000 2.425 276 C HA -0.142 4.319 4.460 0.002 0.000 0.277 276 C C 2.690 177.829 174.990 0.249 0.000 1.280 276 C CA 0.515 59.580 59.018 0.077 0.000 1.744 276 C CB -0.625 27.041 27.740 -0.125 0.000 1.989 276 C HN 0.415 nan 8.230 nan 0.000 0.491 277 I N 0.848 121.580 120.570 0.268 0.000 2.162 277 I HA -0.246 3.925 4.170 0.002 0.000 0.238 277 I C 2.836 179.010 176.117 0.095 0.000 1.076 277 I CA 1.828 63.273 61.300 0.242 0.000 1.353 277 I CB -0.913 37.205 38.000 0.196 0.000 1.063 277 I HN 0.436 nan 8.210 nan 0.000 0.408 278 Q N 0.743 120.554 119.800 0.018 0.000 2.248 278 Q HA -0.258 4.084 4.340 0.002 0.000 0.208 278 Q C 1.344 177.211 176.000 -0.223 0.000 0.984 278 Q CA 1.669 57.407 55.803 -0.109 0.000 0.875 278 Q CB -0.297 28.346 28.738 -0.159 0.000 0.910 278 Q HN 0.573 nan 8.270 nan 0.000 0.433 279 H N -0.681 118.381 119.070 -0.014 0.000 2.567 279 H HA 0.200 4.757 4.556 0.002 0.000 0.294 279 H C 0.729 176.040 175.328 -0.029 0.000 1.050 279 H CA 0.713 56.728 56.048 -0.055 0.000 1.168 279 H CB 0.634 30.321 29.762 -0.126 0.000 1.422 279 H HN 0.601 nan 8.280 nan 0.000 0.562 280 G N 0.746 109.582 108.800 0.059 0.000 2.132 280 G HA2 -0.250 3.711 3.960 0.002 0.000 0.234 280 G HA3 -0.250 3.711 3.960 0.002 0.000 0.234 280 G C -0.100 174.871 174.900 0.118 0.000 0.989 280 G CA 0.138 45.269 45.100 0.051 0.000 0.676 280 G HN 0.430 nan 8.290 nan 0.000 0.522 281 W N 1.686 122.969 121.300 -0.029 0.000 2.316 281 W HA 0.665 5.326 4.660 0.002 0.000 0.321 281 W C 0.226 176.736 176.519 -0.014 0.000 1.203 281 W CA -0.094 57.237 57.345 -0.023 0.000 1.214 281 W CB 1.065 30.524 29.460 -0.001 0.000 1.169 281 W HN 0.043 nan 8.180 nan 0.000 0.561 282 T N 8.701 122.882 114.554 -0.622 0.000 2.794 282 T HA 0.235 4.586 4.350 0.002 0.000 0.304 282 T C -2.234 171.675 174.700 -1.318 0.000 0.973 282 T CA -0.944 60.749 62.100 -0.678 0.000 0.972 282 T CB 0.374 68.999 68.868 -0.405 0.000 0.952 282 T HN 0.146 nan 8.240 nan 0.000 0.509 283 P HA 0.277 nan 4.420 nan 0.000 0.269 283 P C 0.511 177.385 177.300 -0.710 0.000 1.209 283 P CA -0.111 62.316 63.100 -1.120 0.000 0.776 283 P CB 0.619 32.049 31.700 -0.451 0.000 0.876 284 G N 1.392 109.913 108.800 -0.464 0.000 2.736 284 G HA2 0.336 4.297 3.960 0.002 0.000 0.229 284 G HA3 0.336 4.297 3.960 0.002 0.000 0.229 284 G C -0.030 174.579 174.900 -0.486 0.000 1.380 284 G CA -0.489 44.460 45.100 -0.251 0.000 1.040 284 G HN 0.636 nan 8.290 nan 0.000 0.568 285 N N -0.840 117.733 118.700 -0.212 0.000 2.361 285 N HA 0.170 4.911 4.740 0.002 0.000 0.253 285 N C 0.295 175.833 175.510 0.048 0.000 1.413 285 N CA 0.029 52.946 53.050 -0.222 0.000 0.821 285 N CB 0.381 38.746 38.487 -0.203 0.000 1.380 285 N HN 0.680 nan 8.380 nan 0.000 0.493 286 G N 0.377 109.293 108.800 0.193 0.000 2.511 286 G HA2 0.387 4.348 3.960 0.002 0.000 0.316 286 G HA3 0.387 4.348 3.960 0.002 0.000 0.316 286 G C 0.512 175.502 174.900 0.150 0.000 1.210 286 G CA -0.675 44.528 45.100 0.171 0.000 0.969 286 G HN 0.119 nan 8.290 nan 0.000 0.492 287 R N -1.005 119.503 120.500 0.014 0.000 2.240 287 R HA 0.110 4.451 4.340 0.002 0.000 0.203 287 R C -0.189 175.657 176.300 -0.757 0.000 1.011 287 R CA 0.688 56.592 56.100 -0.326 0.000 1.007 287 R CB 0.113 30.168 30.300 -0.409 0.000 0.911 287 R HN 0.408 nan 8.270 nan 0.000 0.468 288 F N 0.763 120.650 119.950 -0.105 0.000 2.577 288 F HA 0.261 4.789 4.527 0.002 0.000 0.342 288 F C -0.672 175.037 175.800 -0.152 0.000 1.479 288 F CA -1.107 56.560 58.000 -0.555 0.000 1.110 288 F CB 0.649 39.128 39.000 -0.868 0.000 1.306 288 F HN -0.287 nan 8.300 nan 0.000 0.554 289 D N 1.829 122.355 120.400 0.210 0.000 2.347 289 D HA 0.195 4.836 4.640 0.002 0.000 0.235 289 D C 0.204 176.736 176.300 0.386 0.000 1.149 289 D CA 0.093 54.298 54.000 0.341 0.000 0.850 289 D CB 2.178 43.249 40.800 0.452 0.000 1.061 289 D HN -0.030 nan 8.370 nan 0.000 0.487 290 V N 3.853 123.984 119.914 0.361 0.000 2.557 290 V HA -0.051 4.070 4.120 0.002 0.000 0.301 290 V C 1.129 177.251 176.094 0.046 0.000 1.026 290 V CA -0.016 62.394 62.300 0.183 0.000 1.137 290 V CB 0.127 32.019 31.823 0.116 0.000 0.917 290 V HN 0.350 nan 8.190 nan 0.000 0.484 291 L N 7.944 129.090 121.223 -0.127 0.000 2.453 291 L HA 0.396 4.737 4.340 0.002 0.000 0.261 291 L C -1.675 174.975 176.870 -0.367 0.000 1.179 291 L CA -1.369 53.252 54.840 -0.365 0.000 0.813 291 L CB 1.170 43.022 42.059 -0.345 0.000 1.110 291 L HN 0.505 nan 8.230 nan 0.000 0.466 292 P HA 0.306 nan 4.420 nan 0.000 0.280 292 P C -1.310 175.838 177.300 -0.253 0.000 1.272 292 P CA -0.592 62.279 63.100 -0.382 0.000 0.819 292 P CB 1.232 32.581 31.700 -0.585 0.000 1.122 293 L N 0.877 122.040 121.223 -0.100 0.000 2.325 293 L HA 0.422 4.763 4.340 0.002 0.000 0.279 293 L C 0.439 177.293 176.870 -0.026 0.000 1.054 293 L CA -0.811 54.010 54.840 -0.032 0.000 0.804 293 L CB 0.767 42.860 42.059 0.058 0.000 1.200 293 L HN 0.197 nan 8.230 nan 0.000 0.436 294 L N 4.956 126.144 121.223 -0.058 0.000 2.283 294 L HA 0.445 4.786 4.340 0.002 0.000 0.281 294 L C -0.529 176.243 176.870 -0.164 0.000 1.033 294 L CA -0.222 54.495 54.840 -0.205 0.000 0.848 294 L CB 0.819 42.673 42.059 -0.342 0.000 1.226 294 L HN 0.453 nan 8.230 nan 0.000 0.429 295 L N 3.743 124.919 121.223 -0.078 0.000 2.322 295 L HA 0.510 4.852 4.340 0.002 0.000 0.279 295 L C -0.186 176.607 176.870 -0.129 0.000 1.036 295 L CA -0.363 54.435 54.840 -0.069 0.000 0.807 295 L CB 1.713 43.710 42.059 -0.104 0.000 1.226 295 L HN 0.556 nan 8.230 nan 0.000 0.433 296 Q N 2.333 122.085 119.800 -0.081 0.000 2.275 296 Q HA 0.636 4.977 4.340 0.002 0.000 0.266 296 Q C -1.384 174.560 176.000 -0.092 0.000 1.002 296 Q CA -0.586 55.162 55.803 -0.091 0.000 0.761 296 Q CB 2.205 30.926 28.738 -0.029 0.000 1.255 296 Q HN 0.778 nan 8.270 nan 0.000 0.446 297 A N 4.887 127.607 122.820 -0.167 0.000 2.302 297 A HA 0.664 4.986 4.320 0.002 0.000 0.285 297 A C -2.406 174.899 177.584 -0.465 0.000 1.105 297 A CA -1.549 50.236 52.037 -0.421 0.000 0.816 297 A CB 0.125 18.998 19.000 -0.211 0.000 1.067 297 A HN 0.629 nan 8.150 nan 0.000 0.489 298 P HA -0.073 nan 4.420 nan 0.000 0.263 298 P C -0.538 176.644 177.300 -0.196 0.000 1.162 298 P CA 0.925 63.779 63.100 -0.411 0.000 0.758 298 P CB 0.103 31.552 31.700 -0.419 0.000 0.773 299 D N 0.308 120.644 120.400 -0.106 0.000 2.739 299 D HA -0.211 4.430 4.640 0.002 0.000 0.230 299 D C -0.006 176.270 176.300 -0.040 0.000 1.167 299 D CA 1.372 55.344 54.000 -0.046 0.000 0.640 299 D CB -0.466 40.313 40.800 -0.035 0.000 1.045 299 D HN 0.448 nan 8.370 nan 0.000 0.421 300 E N -0.858 119.310 120.200 -0.053 0.000 2.317 300 E HA 0.624 4.975 4.350 0.002 0.000 0.270 300 E C -0.131 176.440 176.600 -0.049 0.000 0.885 300 E CA -0.814 55.557 56.400 -0.048 0.000 0.760 300 E CB 1.780 31.440 29.700 -0.066 0.000 1.227 300 E HN 0.130 nan 8.360 nan 0.000 0.434 301 A N 3.590 126.383 122.820 -0.044 0.000 2.531 301 A HA 0.309 4.631 4.320 0.002 0.000 0.236 301 A C -1.941 175.520 177.584 -0.206 0.000 1.062 301 A CA -0.686 51.306 52.037 -0.075 0.000 0.760 301 A CB -0.581 18.405 19.000 -0.024 0.000 0.995 301 A HN 0.272 nan 8.150 nan 0.000 0.501 302 P HA 0.163 nan 4.420 nan 0.000 0.269 302 P C -0.587 176.421 177.300 -0.487 0.000 1.209 302 P CA 0.160 62.878 63.100 -0.638 0.000 0.776 302 P CB 0.671 31.522 31.700 -1.415 0.000 0.876 303 E N 0.781 120.798 120.200 -0.304 0.000 2.195 303 E HA 0.414 4.765 4.350 0.002 0.000 0.271 303 E C -0.760 175.669 176.600 -0.284 0.000 0.923 303 E CA -1.074 55.168 56.400 -0.264 0.000 0.790 303 E CB 1.619 31.232 29.700 -0.145 0.000 1.155 303 E HN 0.285 nan 8.360 nan 0.000 0.402 304 L N 3.205 124.167 121.223 -0.435 0.000 2.292 304 L HA 0.416 4.757 4.340 0.002 0.000 0.284 304 L C -1.529 174.962 176.870 -0.631 0.000 1.065 304 L CA 0.114 54.742 54.840 -0.354 0.000 0.806 304 L CB 0.175 42.098 42.059 -0.226 0.000 1.175 304 L HN 0.397 nan 8.230 nan 0.000 0.431 305 F N 4.036 123.784 119.950 -0.336 0.000 2.539 305 F HA 0.473 5.001 4.527 0.002 0.000 0.318 305 F C -0.233 175.339 175.800 -0.379 0.000 1.135 305 F CA -0.829 56.834 58.000 -0.560 0.000 0.915 305 F CB 1.799 40.157 39.000 -1.069 0.000 1.176 305 F HN 0.021 nan 8.300 nan 0.000 0.440 306 V N 4.602 124.439 119.914 -0.129 0.000 2.509 306 V HA 0.324 4.445 4.120 0.002 0.000 0.284 306 V C 0.087 176.278 176.094 0.161 0.000 1.047 306 V CA -0.687 61.628 62.300 0.025 0.000 0.952 306 V CB 1.604 33.477 31.823 0.082 0.000 0.988 306 V HN 0.531 nan 8.190 nan 0.000 0.469 307 L N 6.840 128.177 121.223 0.190 0.000 2.305 307 L HA 0.354 4.695 4.340 0.002 0.000 0.281 307 L C -2.158 174.819 176.870 0.180 0.000 1.085 307 L CA -1.639 53.350 54.840 0.250 0.000 0.813 307 L CB 0.993 43.140 42.059 0.147 0.000 1.157 307 L HN 0.446 nan 8.230 nan 0.000 0.436 308 P HA 0.013 nan 4.420 nan 0.000 0.258 308 P C -1.996 175.358 177.300 0.090 0.000 1.187 308 P CA -0.736 62.437 63.100 0.123 0.000 0.767 308 P CB 0.309 32.068 31.700 0.099 0.000 0.770 309 P HA -0.247 nan 4.420 nan 0.000 0.218 309 P C 1.200 178.537 177.300 0.062 0.000 1.152 309 P CA 1.477 64.624 63.100 0.079 0.000 0.857 309 P CB -0.143 31.605 31.700 0.080 0.000 0.787 310 E N -0.884 119.347 120.200 0.052 0.000 2.511 310 E HA -0.063 4.288 4.350 0.002 0.000 0.196 310 E C 1.480 178.099 176.600 0.032 0.000 1.066 310 E CA 0.483 56.906 56.400 0.038 0.000 0.871 310 E CB -0.780 28.939 29.700 0.031 0.000 0.863 310 E HN 0.244 nan 8.360 nan 0.000 0.520 311 L N 0.558 121.803 121.223 0.037 0.000 2.463 311 L HA 0.135 4.476 4.340 0.002 0.000 0.219 311 L C 0.543 177.432 176.870 0.032 0.000 1.088 311 L CA 0.413 55.269 54.840 0.026 0.000 0.849 311 L CB 0.659 42.730 42.059 0.020 0.000 1.012 311 L HN -0.149 nan 8.230 nan 0.000 0.468 312 V N 2.084 122.022 119.914 0.040 0.000 2.284 312 V HA 0.175 4.296 4.120 0.002 0.000 0.260 312 V C -0.033 176.098 176.094 0.062 0.000 1.084 312 V CA -0.730 61.597 62.300 0.044 0.000 0.894 312 V CB 0.635 32.481 31.823 0.038 0.000 1.119 312 V HN 0.063 nan 8.190 nan 0.000 0.484 313 L N 5.675 126.936 121.223 0.063 0.000 2.410 313 L HA 0.379 4.721 4.340 0.002 0.000 0.273 313 L C 0.210 177.123 176.870 0.071 0.000 1.144 313 L CA 0.804 55.674 54.840 0.050 0.000 0.863 313 L CB 0.204 42.284 42.059 0.035 0.000 1.140 313 L HN 0.640 nan 8.230 nan 0.000 0.463 314 E N 3.304 123.526 120.200 0.036 0.000 2.336 314 E HA 0.600 4.951 4.350 0.002 0.000 0.267 314 E C -1.475 175.080 176.600 -0.075 0.000 0.906 314 E CA -1.058 55.368 56.400 0.042 0.000 0.781 314 E CB 2.446 32.206 29.700 0.101 0.000 1.261 314 E HN 0.357 nan 8.360 nan 0.000 0.436 315 V N 2.659 122.505 119.914 -0.112 0.000 2.407 315 V HA 0.323 4.444 4.120 0.002 0.000 0.291 315 V C -2.446 173.604 176.094 -0.073 0.000 1.018 315 V CA -1.949 60.220 62.300 -0.218 0.000 0.842 315 V CB 1.428 32.853 31.823 -0.663 0.000 0.996 315 V HN 0.510 nan 8.190 nan 0.000 0.426 316 P HA 0.370 nan 4.420 nan 0.000 0.279 316 P C -0.817 176.501 177.300 0.030 0.000 1.239 316 P CA -0.248 62.832 63.100 -0.033 0.000 0.789 316 P CB 0.669 32.351 31.700 -0.030 0.000 0.933 317 L N 3.177 124.455 121.223 0.091 0.000 2.275 317 L HA 0.509 4.850 4.340 0.002 0.000 0.288 317 L C 0.877 177.940 176.870 0.321 0.000 1.046 317 L CA -0.306 54.662 54.840 0.213 0.000 0.805 317 L CB 0.621 42.873 42.059 0.322 0.000 1.193 317 L HN 0.450 nan 8.230 nan 0.000 0.426 318 E N 2.099 122.461 120.200 0.270 0.000 2.340 318 E HA 0.378 4.729 4.350 0.002 0.000 0.273 318 E C -1.330 175.347 176.600 0.128 0.000 0.891 318 E CA -0.920 55.660 56.400 0.300 0.000 0.757 318 E CB 2.242 32.062 29.700 0.200 0.000 1.231 318 E HN 0.514 nan 8.360 nan 0.000 0.439 319 H N 2.801 121.798 119.070 -0.123 0.000 2.467 319 H HA 0.206 4.763 4.556 0.002 0.000 0.331 319 H C -1.662 173.410 175.328 -0.426 0.000 1.120 319 H CA -2.163 53.624 56.048 -0.435 0.000 1.270 319 H CB 1.909 31.301 29.762 -0.617 0.000 1.466 319 H HN 0.463 nan 8.280 nan 0.000 0.504 320 P HA -0.123 nan 4.420 nan 0.000 0.218 320 P C 0.908 178.013 177.300 -0.326 0.000 1.148 320 P CA 1.766 64.330 63.100 -0.893 0.000 0.822 320 P CB 0.434 31.552 31.700 -0.970 0.000 0.784 321 T N -4.433 110.105 114.554 -0.026 0.000 2.964 321 T HA 0.200 4.551 4.350 0.002 0.000 0.250 321 T C 0.935 175.601 174.700 -0.056 0.000 0.982 321 T CA -0.224 61.878 62.100 0.003 0.000 0.959 321 T CB -0.604 68.276 68.868 0.019 0.000 1.141 321 T HN -0.058 nan 8.240 nan 0.000 0.494 322 L N 4.158 125.311 121.223 -0.117 0.000 2.404 322 L HA 0.317 4.658 4.340 0.002 0.000 0.277 322 L C 2.097 178.651 176.870 -0.528 0.000 1.184 322 L CA -0.472 53.973 54.840 -0.658 0.000 1.013 322 L CB 0.472 41.724 42.059 -1.345 0.000 1.318 322 L HN 0.348 nan 8.230 nan 0.000 0.435 323 E N 4.324 124.353 120.200 -0.285 0.000 2.219 323 E HA -0.242 4.109 4.350 0.002 0.000 0.198 323 E C 1.546 178.140 176.600 -0.010 0.000 0.998 323 E CA 1.555 57.902 56.400 -0.088 0.000 0.818 323 E CB -0.121 29.582 29.700 0.005 0.000 0.741 323 E HN 0.818 nan 8.360 nan 0.000 0.477 324 W N -0.662 120.695 121.300 0.096 0.000 2.937 324 W HA 0.092 4.753 4.660 0.002 0.000 0.245 324 W C 1.446 178.013 176.519 0.079 0.000 1.306 324 W CA -0.367 57.019 57.345 0.068 0.000 1.470 324 W CB -1.030 28.449 29.460 0.032 0.000 1.132 324 W HN -0.123 nan 8.180 nan 0.000 0.675 325 F N 3.124 122.978 119.950 -0.160 0.000 2.075 325 F HA -0.108 4.420 4.527 0.002 0.000 0.297 325 F C 2.739 178.611 175.800 0.120 0.000 1.113 325 F CA 3.084 61.070 58.000 -0.024 0.000 1.218 325 F CB -0.707 38.167 39.000 -0.211 0.000 0.984 325 F HN -0.081 nan 8.300 nan 0.000 0.472 326 A N 0.233 123.198 122.820 0.242 0.000 1.986 326 A HA -0.191 4.130 4.320 0.002 0.000 0.220 326 A C 2.247 179.876 177.584 0.074 0.000 1.171 326 A CA 1.747 53.881 52.037 0.162 0.000 0.640 326 A CB -1.566 17.518 19.000 0.141 0.000 0.811 326 A HN 0.487 nan 8.150 nan 0.000 0.451 327 A N -0.726 122.149 122.820 0.092 0.000 2.216 327 A HA 0.176 4.497 4.320 0.002 0.000 0.214 327 A C 1.819 179.422 177.584 0.032 0.000 1.160 327 A CA 0.940 53.020 52.037 0.072 0.000 0.725 327 A CB -0.536 18.528 19.000 0.106 0.000 0.784 327 A HN 0.502 nan 8.150 nan 0.000 0.472 328 L N -1.334 119.872 121.223 -0.028 0.000 2.478 328 L HA 0.093 4.434 4.340 0.002 0.000 0.223 328 L C 1.844 178.712 176.870 -0.003 0.000 1.140 328 L CA 0.577 55.384 54.840 -0.054 0.000 0.842 328 L CB -0.378 41.554 42.059 -0.211 0.000 0.953 328 L HN 0.543 nan 8.230 nan 0.000 0.452 329 G N 0.652 109.446 108.800 -0.011 0.000 2.168 329 G HA2 -0.291 3.670 3.960 0.002 0.000 0.257 329 G HA3 -0.291 3.670 3.960 0.002 0.000 0.257 329 G C 0.324 175.157 174.900 -0.112 0.000 0.997 329 G CA 0.045 45.138 45.100 -0.011 0.000 0.708 329 G HN 0.261 nan 8.290 nan 0.000 0.520 330 L N -0.273 120.876 121.223 -0.122 0.000 2.452 330 L HA 0.682 5.023 4.340 0.002 0.000 0.267 330 L C 1.142 177.775 176.870 -0.395 0.000 1.188 330 L CA -0.159 54.522 54.840 -0.264 0.000 0.821 330 L CB 0.655 42.705 42.059 -0.016 0.000 1.102 330 L HN 0.594 nan 8.230 nan 0.000 0.470 331 R N 1.480 121.573 120.500 -0.679 0.000 2.709 331 R HA 0.463 4.804 4.340 0.002 0.000 0.270 331 R C -2.198 174.069 176.300 -0.054 0.000 1.038 331 R CA -1.039 54.856 56.100 -0.342 0.000 0.872 331 R CB 1.547 31.591 30.300 -0.426 0.000 1.259 331 R HN 0.657 nan 8.270 nan 0.000 0.473 332 W N 2.357 123.660 121.300 0.004 0.000 3.217 332 W HA 0.354 5.015 4.660 0.002 0.000 0.323 332 W C -1.101 175.527 176.519 0.180 0.000 1.216 332 W CA -1.056 56.372 57.345 0.138 0.000 1.194 332 W CB 1.872 31.295 29.460 -0.062 0.000 1.397 332 W HN 0.704 nan 8.180 nan 0.000 0.537 333 Y N 1.451 121.659 120.300 -0.153 0.000 2.379 333 Y HA 0.475 5.026 4.550 0.002 0.000 0.337 333 Y C 0.868 177.025 175.900 0.428 0.000 1.238 333 Y CA 0.315 58.441 58.100 0.043 0.000 1.405 333 Y CB 0.142 38.489 38.460 -0.188 0.000 1.310 333 Y HN 0.350 nan 8.280 nan 0.000 0.569 334 A N 2.170 125.276 122.820 0.477 0.000 1.975 334 A HA 0.079 4.400 4.320 0.002 0.000 0.215 334 A C 0.511 178.440 177.584 0.574 0.000 1.170 334 A CA 0.262 52.622 52.037 0.537 0.000 0.656 334 A CB -0.263 18.875 19.000 0.229 0.000 0.821 334 A HN 0.673 nan 8.150 nan 0.000 0.449 335 L N 1.889 123.387 121.223 0.459 0.000 2.264 335 L HA 0.414 4.756 4.340 0.002 0.000 0.289 335 L C -2.511 174.509 176.870 0.250 0.000 1.044 335 L CA -2.085 52.936 54.840 0.302 0.000 0.807 335 L CB 1.486 43.660 42.059 0.192 0.000 1.192 335 L HN -0.010 nan 8.230 nan 0.000 0.425 336 P HA 0.317 nan 4.420 nan 0.000 0.270 336 P C -1.457 175.743 177.300 -0.167 0.000 1.551 336 P CA -0.375 62.562 63.100 -0.271 0.000 1.049 336 P CB 1.242 32.367 31.700 -0.958 0.000 1.397 337 A N 4.678 127.409 122.820 -0.148 0.000 2.536 337 A HA 0.408 4.730 4.320 0.002 0.000 0.329 337 A C 0.093 177.426 177.584 -0.419 0.000 1.321 337 A CA -0.653 51.219 52.037 -0.274 0.000 0.804 337 A CB 0.447 19.304 19.000 -0.239 0.000 1.126 337 A HN 0.296 nan 8.150 nan 0.000 0.480 338 V N 2.580 122.056 119.914 -0.730 0.000 2.599 338 V HA 0.200 4.321 4.120 0.002 0.000 0.300 338 V C 1.256 176.920 176.094 -0.716 0.000 1.034 338 V CA 1.373 63.206 62.300 -0.779 0.000 1.115 338 V CB 1.002 32.116 31.823 -1.181 0.000 0.934 338 V HN 1.105 nan 8.190 nan 0.000 0.485 339 S N 1.155 116.654 115.700 -0.335 0.000 2.893 339 S HA 0.062 4.533 4.470 0.002 0.000 0.258 339 S C 0.717 175.298 174.600 -0.033 0.000 1.034 339 S CA 0.048 58.146 58.200 -0.170 0.000 1.167 339 S CB -0.494 62.641 63.200 -0.108 0.000 1.137 339 S HN 0.908 nan 8.310 nan 0.000 0.650 340 N N 0.523 119.208 118.700 -0.024 0.000 2.236 340 N HA 0.301 5.042 4.740 0.002 0.000 0.196 340 N C 0.204 175.766 175.510 0.086 0.000 1.114 340 N CA -0.484 52.594 53.050 0.046 0.000 0.859 340 N CB 0.084 38.606 38.487 0.058 0.000 0.982 340 N HN 0.288 nan 8.380 nan 0.000 0.493 341 M N 1.508 121.164 119.600 0.094 0.000 2.367 341 M HA 0.309 4.790 4.480 0.002 0.000 0.339 341 M C -0.667 175.772 176.300 0.233 0.000 1.177 341 M CA -0.898 54.501 55.300 0.166 0.000 1.068 341 M CB 2.667 35.368 32.600 0.170 0.000 1.602 341 M HN 0.128 nan 8.290 nan 0.000 0.457 342 L N 3.598 124.947 121.223 0.210 0.000 2.292 342 L HA 0.482 4.824 4.340 0.002 0.000 0.284 342 L C -1.254 175.749 176.870 0.222 0.000 1.065 342 L CA -0.812 54.145 54.840 0.195 0.000 0.806 342 L CB 0.878 43.003 42.059 0.110 0.000 1.175 342 L HN 0.627 nan 8.230 nan 0.000 0.431 343 L N 5.575 126.926 121.223 0.213 0.000 2.257 343 L HA 0.420 4.761 4.340 0.002 0.000 0.290 343 L C -0.397 176.491 176.870 0.030 0.000 1.044 343 L CA 0.233 55.083 54.840 0.017 0.000 0.810 343 L CB 1.018 43.079 42.059 0.004 0.000 1.193 343 L HN 0.650 nan 8.230 nan 0.000 0.425 344 E N 6.690 126.828 120.200 -0.102 0.000 2.151 344 E HA 0.421 4.772 4.350 0.002 0.000 0.275 344 E C -1.543 174.978 176.600 -0.131 0.000 0.936 344 E CA -0.447 55.914 56.400 -0.066 0.000 0.777 344 E CB 1.194 30.853 29.700 -0.067 0.000 1.108 344 E HN 0.720 nan 8.360 nan 0.000 0.401 345 I N 2.164 122.666 120.570 -0.113 0.000 2.569 345 I HA 0.269 4.440 4.170 0.002 0.000 0.290 345 I C 0.772 176.693 176.117 -0.326 0.000 1.088 345 I CA -0.854 60.255 61.300 -0.318 0.000 1.047 345 I CB 2.115 39.842 38.000 -0.455 0.000 1.237 345 I HN 0.784 nan 8.210 nan 0.000 0.421 346 G N 4.130 112.743 108.800 -0.312 0.000 2.422 346 G HA2 -0.116 3.845 3.960 0.002 0.000 0.301 346 G HA3 -0.116 3.845 3.960 0.002 0.000 0.301 346 G C 1.070 176.040 174.900 0.116 0.000 0.981 346 G CA 1.002 46.118 45.100 0.026 0.000 0.994 346 G HN 1.604 nan 8.290 nan 0.000 0.514 347 G N -1.960 106.864 108.800 0.039 0.000 2.267 347 G HA2 -0.275 3.686 3.960 0.002 0.000 0.257 347 G HA3 -0.275 3.686 3.960 0.002 0.000 0.257 347 G C 0.536 175.414 174.900 -0.036 0.000 0.998 347 G CA 0.590 45.714 45.100 0.039 0.000 0.620 347 G HN 1.279 nan 8.290 nan 0.000 0.529 348 L N 0.870 122.026 121.223 -0.112 0.000 2.350 348 L HA 0.575 4.916 4.340 0.002 0.000 0.275 348 L C 0.328 176.996 176.870 -0.337 0.000 1.099 348 L CA -0.463 54.198 54.840 -0.299 0.000 0.808 348 L CB 1.186 42.964 42.059 -0.468 0.000 1.149 348 L HN 0.175 nan 8.230 nan 0.000 0.442 349 E N 2.582 122.520 120.200 -0.436 0.000 2.145 349 E HA 0.349 4.700 4.350 0.002 0.000 0.270 349 E C -1.438 174.860 176.600 -0.503 0.000 0.906 349 E CA -0.442 55.767 56.400 -0.319 0.000 0.761 349 E CB 1.559 31.163 29.700 -0.160 0.000 1.116 349 E HN 0.265 nan 8.360 nan 0.000 0.408 350 F N 2.115 122.036 119.950 -0.048 0.000 2.293 350 F HA 0.087 4.615 4.527 0.002 0.000 0.370 350 F C 1.529 177.365 175.800 0.061 0.000 1.090 350 F CA -0.438 57.559 58.000 -0.006 0.000 1.133 350 F CB 1.044 40.021 39.000 -0.038 0.000 1.360 350 F HN 0.433 nan 8.300 nan 0.000 0.489 351 S N 1.392 117.187 115.700 0.158 0.000 2.474 351 S HA 0.130 4.601 4.470 0.002 0.000 0.235 351 S C 0.848 175.581 174.600 0.222 0.000 0.997 351 S CA 0.431 58.730 58.200 0.165 0.000 0.949 351 S CB -0.009 63.268 63.200 0.130 0.000 0.766 351 S HN 0.498 nan 8.310 nan 0.000 0.517 352 A N 0.426 123.424 122.820 0.297 0.000 2.466 352 A HA 0.823 5.144 4.320 0.002 0.000 0.291 352 A C -0.185 177.659 177.584 0.433 0.000 1.234 352 A CA -0.177 52.069 52.037 0.349 0.000 0.752 352 A CB 0.947 20.149 19.000 0.337 0.000 1.153 352 A HN 0.933 nan 8.150 nan 0.000 0.458 353 A N 4.166 127.177 122.820 0.317 0.000 3.474 353 A HA 0.629 4.950 4.320 0.002 0.000 0.251 353 A C -2.878 174.839 177.584 0.221 0.000 1.062 353 A CA -0.998 51.175 52.037 0.228 0.000 0.945 353 A CB 0.260 19.395 19.000 0.226 0.000 1.296 353 A HN 0.526 nan 8.150 nan 0.000 0.592 354 P HA 0.310 nan 4.420 nan 0.000 0.265 354 P C -0.669 176.644 177.300 0.022 0.000 1.187 354 P CA 0.657 63.709 63.100 -0.080 0.000 0.766 354 P CB 0.190 31.801 31.700 -0.149 0.000 0.820 355 F N -0.665 119.237 119.950 -0.080 0.000 2.629 355 F HA 0.797 5.325 4.527 0.002 0.000 0.316 355 F C -0.842 174.903 175.800 -0.092 0.000 1.081 355 F CA -1.312 56.662 58.000 -0.044 0.000 0.954 355 F CB 1.574 40.434 39.000 -0.233 0.000 1.337 355 F HN 0.437 nan 8.300 nan 0.000 0.474 356 S N -0.314 115.534 115.700 0.247 0.000 2.548 356 S HA 0.761 5.232 4.470 0.002 0.000 0.278 356 S C -0.818 173.790 174.600 0.013 0.000 1.150 356 S CA -0.181 58.081 58.200 0.104 0.000 0.907 356 S CB 1.121 64.419 63.200 0.164 0.000 1.108 356 S HN 1.504 nan 8.310 nan 0.000 0.459 357 G N 0.987 109.722 108.800 -0.109 0.000 2.851 357 G HA2 0.752 4.713 3.960 0.002 0.000 0.208 357 G HA3 0.752 4.713 3.960 0.002 0.000 0.208 357 G C -0.962 173.989 174.900 0.085 0.000 1.894 357 G CA -0.123 44.852 45.100 -0.208 0.000 0.732 357 G HN 1.240 nan 8.290 nan 0.000 0.802 358 W N -1.733 119.571 121.300 0.007 0.000 3.137 358 W HA 0.771 5.432 4.660 0.002 0.000 0.324 358 W C -1.803 174.720 176.519 0.006 0.000 1.253 358 W CA -2.187 55.177 57.345 0.031 0.000 1.183 358 W CB 0.373 29.895 29.460 0.103 0.000 1.424 358 W HN 0.319 nan 8.180 nan 0.000 0.566 359 Y N 2.931 123.413 120.300 0.303 0.000 2.397 359 Y HA 0.263 4.814 4.550 0.002 0.000 0.335 359 Y C 0.835 176.788 175.900 0.088 0.000 1.213 359 Y CA -0.579 57.581 58.100 0.100 0.000 1.391 359 Y CB 1.047 39.475 38.460 -0.053 0.000 1.293 359 Y HN 0.499 nan 8.280 nan 0.000 0.557 360 M N 2.372 122.118 119.600 0.244 0.000 2.180 360 M HA 0.208 4.689 4.480 0.002 0.000 0.350 360 M C 1.007 177.290 176.300 -0.029 0.000 1.125 360 M CA -0.329 55.039 55.300 0.113 0.000 1.031 360 M CB 1.168 33.812 32.600 0.074 0.000 1.623 360 M HN 0.823 nan 8.290 nan 0.000 0.451 361 S N 1.379 117.023 115.700 -0.093 0.000 2.400 361 S HA -0.229 4.242 4.470 0.002 0.000 0.234 361 S C 1.470 175.914 174.600 -0.260 0.000 1.049 361 S CA 2.344 60.413 58.200 -0.219 0.000 1.039 361 S CB -1.505 61.617 63.200 -0.131 0.000 0.856 361 S HN 0.930 nan 8.310 nan 0.000 0.465 362 T N 0.084 114.510 114.554 -0.212 0.000 2.915 362 T HA -0.001 4.350 4.350 0.002 0.000 0.269 362 T C 1.570 176.093 174.700 -0.295 0.000 1.071 362 T CA 1.130 63.060 62.100 -0.282 0.000 1.132 362 T CB -0.519 68.152 68.868 -0.327 0.000 0.878 362 T HN 0.583 nan 8.240 nan 0.000 0.479 363 E N 0.966 121.007 120.200 -0.266 0.000 2.085 363 E HA -0.061 4.290 4.350 0.002 0.000 0.194 363 E C 2.086 178.386 176.600 -0.499 0.000 0.994 363 E CA 1.440 57.678 56.400 -0.270 0.000 0.801 363 E CB -0.290 29.373 29.700 -0.063 0.000 0.743 363 E HN 0.593 nan 8.360 nan 0.000 0.453 364 I N 0.183 120.323 120.570 -0.716 0.000 2.270 364 I HA -0.067 4.104 4.170 0.002 0.000 0.239 364 I C 2.615 178.363 176.117 -0.615 0.000 1.080 364 I CA 0.957 61.666 61.300 -0.986 0.000 1.383 364 I CB -0.560 36.755 38.000 -1.141 0.000 1.097 364 I HN 0.109 nan 8.210 nan 0.000 0.420 365 G N 0.155 108.696 108.800 -0.431 0.000 2.432 365 G HA2 -0.161 3.800 3.960 0.002 0.000 0.219 365 G HA3 -0.161 3.800 3.960 0.002 0.000 0.219 365 G C 1.592 176.365 174.900 -0.212 0.000 1.135 365 G CA 1.497 46.438 45.100 -0.265 0.000 0.767 365 G HN 0.304 nan 8.290 nan 0.000 0.550 366 T N -0.182 114.224 114.554 -0.248 0.000 3.146 366 T HA 0.114 4.465 4.350 0.002 0.000 0.235 366 T C 2.504 177.088 174.700 -0.193 0.000 0.985 366 T CA 0.166 62.144 62.100 -0.203 0.000 1.265 366 T CB 0.072 68.801 68.868 -0.232 0.000 0.946 366 T HN -0.010 nan 8.240 nan 0.000 0.418 367 R N 2.082 122.445 120.500 -0.229 0.000 2.064 367 R HA 0.108 4.449 4.340 0.002 0.000 0.228 367 R C 2.200 178.373 176.300 -0.211 0.000 1.144 367 R CA 1.201 57.175 56.100 -0.209 0.000 0.932 367 R CB -1.312 28.860 30.300 -0.213 0.000 0.833 367 R HN 0.315 nan 8.270 nan 0.000 0.429 368 N N 0.989 119.513 118.700 -0.295 0.000 2.061 368 N HA -0.126 4.615 4.740 0.002 0.000 0.193 368 N C 1.932 177.352 175.510 -0.151 0.000 1.030 368 N CA 1.223 54.092 53.050 -0.301 0.000 0.856 368 N CB -0.293 37.700 38.487 -0.825 0.000 1.023 368 N HN 0.203 nan 8.380 nan 0.000 0.424 369 L N -1.015 120.084 121.223 -0.207 0.000 2.416 369 L HA 0.106 4.447 4.340 0.002 0.000 0.216 369 L C 1.142 178.039 176.870 0.047 0.000 1.098 369 L CA 0.298 55.117 54.840 -0.036 0.000 0.840 369 L CB 0.274 42.292 42.059 -0.069 0.000 0.981 369 L HN 0.157 nan 8.230 nan 0.000 0.462 370 C N -1.406 117.881 119.300 -0.020 0.000 3.183 370 C HA 0.198 4.659 4.460 0.002 0.000 0.285 370 C C 0.616 175.600 174.990 -0.010 0.000 1.313 370 C CA -0.910 58.111 59.018 0.006 0.000 1.711 370 C CB -0.469 27.260 27.740 -0.018 0.000 2.135 370 C HN 0.269 nan 8.230 nan 0.000 0.651 371 D N 3.145 123.506 120.400 -0.063 0.000 2.443 371 D HA 0.077 4.718 4.640 0.002 0.000 0.239 371 D C -1.110 175.189 176.300 -0.002 0.000 1.136 371 D CA -1.442 52.499 54.000 -0.098 0.000 0.879 371 D CB 0.805 41.363 40.800 -0.403 0.000 1.195 371 D HN 0.175 nan 8.370 nan 0.000 0.443 372 P HA -0.130 nan 4.420 nan 0.000 0.226 372 P C 0.433 177.851 177.300 0.197 0.000 1.153 372 P CA 1.120 64.318 63.100 0.164 0.000 0.777 372 P CB 0.078 31.878 31.700 0.167 0.000 0.794 373 H N -2.265 116.826 119.070 0.035 0.000 2.487 373 H HA 0.413 4.970 4.556 0.002 0.000 0.290 373 H C 0.769 176.120 175.328 0.038 0.000 1.081 373 H CA -0.499 55.567 56.048 0.030 0.000 1.116 373 H CB 0.041 29.819 29.762 0.026 0.000 1.560 373 H HN -0.050 nan 8.280 nan 0.000 0.548 374 R N -0.224 120.222 120.500 -0.089 0.000 3.096 374 R HA 0.189 4.530 4.340 0.002 0.000 0.138 374 R C 0.829 177.147 176.300 0.030 0.000 1.088 374 R CA -0.738 55.349 56.100 -0.021 0.000 0.652 374 R CB -0.772 29.531 30.300 0.005 0.000 1.179 374 R HN 0.058 nan 8.270 nan 0.000 0.404 375 Y N 1.758 122.081 120.300 0.038 0.000 2.574 375 Y HA -0.099 4.452 4.550 0.002 0.000 0.294 375 Y C 0.854 176.787 175.900 0.055 0.000 1.142 375 Y CA 0.959 59.096 58.100 0.061 0.000 1.314 375 Y CB -0.533 38.002 38.460 0.125 0.000 0.991 375 Y HN 0.505 nan 8.280 nan 0.000 0.555 376 N N 0.886 119.686 118.700 0.166 0.000 2.701 376 N HA -0.250 4.492 4.740 0.002 0.000 0.252 376 N C 0.572 176.170 175.510 0.147 0.000 1.002 376 N CA 0.840 53.965 53.050 0.126 0.000 0.758 376 N CB -1.383 37.162 38.487 0.097 0.000 0.937 376 N HN 0.685 nan 8.380 nan 0.000 0.538 377 I N -3.605 117.068 120.570 0.173 0.000 3.444 377 I HA -0.015 4.156 4.170 0.002 0.000 0.287 377 I C 1.593 177.813 176.117 0.172 0.000 1.302 377 I CA -0.161 61.240 61.300 0.169 0.000 1.368 377 I CB -0.144 37.966 38.000 0.184 0.000 1.048 377 I HN 0.081 nan 8.210 nan 0.000 0.487 378 L N 1.718 123.052 121.223 0.184 0.000 1.971 378 L HA -0.245 4.096 4.340 0.002 0.000 0.215 378 L C 2.573 179.653 176.870 0.351 0.000 1.072 378 L CA 2.111 57.097 54.840 0.245 0.000 0.758 378 L CB -1.049 41.139 42.059 0.214 0.000 0.889 378 L HN 0.451 nan 8.230 nan 0.000 0.433 379 E N -1.042 119.354 120.200 0.326 0.000 2.077 379 E HA -0.232 4.119 4.350 0.002 0.000 0.193 379 E C 1.790 178.422 176.600 0.053 0.000 0.989 379 E CA 1.293 57.790 56.400 0.161 0.000 0.800 379 E CB 0.032 29.761 29.700 0.048 0.000 0.746 379 E HN 0.529 nan 8.360 nan 0.000 0.452 380 D N 0.042 120.483 120.400 0.067 0.000 2.108 380 D HA -0.189 4.453 4.640 0.002 0.000 0.190 380 D C 2.094 178.408 176.300 0.024 0.000 0.995 380 D CA 1.558 55.571 54.000 0.022 0.000 0.834 380 D CB -0.512 40.313 40.800 0.042 0.000 0.967 380 D HN 0.104 nan 8.370 nan 0.000 0.446 381 V N 1.727 121.710 119.914 0.116 0.000 2.380 381 V HA -0.283 3.838 4.120 0.002 0.000 0.251 381 V C 2.545 178.752 176.094 0.189 0.000 1.063 381 V CA 1.957 64.381 62.300 0.206 0.000 1.055 381 V CB -0.896 31.122 31.823 0.325 0.000 0.657 381 V HN 0.213 nan 8.190 nan 0.000 0.455 382 A N -0.185 122.745 122.820 0.182 0.000 1.855 382 A HA -0.147 4.174 4.320 0.002 0.000 0.215 382 A C 2.376 179.960 177.584 -0.000 0.000 1.191 382 A CA 1.950 54.090 52.037 0.171 0.000 0.613 382 A CB -0.764 18.416 19.000 0.300 0.000 0.829 382 A HN 0.330 nan 8.150 nan 0.000 0.442 383 V N -0.371 119.487 119.914 -0.094 0.000 2.469 383 V HA -0.355 3.766 4.120 0.002 0.000 0.251 383 V C 2.617 178.579 176.094 -0.220 0.000 1.064 383 V CA 1.994 64.197 62.300 -0.163 0.000 1.066 383 V CB -1.230 30.493 31.823 -0.168 0.000 0.667 383 V HN 0.739 nan 8.190 nan 0.000 0.461 384 C N -0.509 118.616 119.300 -0.292 0.000 2.462 384 C HA -0.154 4.307 4.460 0.002 0.000 0.278 384 C C 2.765 177.404 174.990 -0.585 0.000 1.253 384 C CA 1.058 59.669 59.018 -0.680 0.000 1.713 384 C CB -0.949 26.155 27.740 -1.060 0.000 2.049 384 C HN 0.510 nan 8.230 nan 0.000 0.477 385 M N 0.205 119.721 119.600 -0.141 0.000 2.358 385 M HA -0.096 4.386 4.480 0.002 0.000 0.264 385 M C 0.785 177.108 176.300 0.038 0.000 1.064 385 M CA 1.631 57.025 55.300 0.157 0.000 1.093 385 M CB -0.367 32.389 32.600 0.259 0.000 1.401 385 M HN 0.387 nan 8.290 nan 0.000 0.440 386 D N 0.287 120.656 120.400 -0.053 0.000 3.027 386 D HA -0.115 4.526 4.640 0.002 0.000 0.219 386 D C -0.669 175.620 176.300 -0.019 0.000 1.110 386 D CA 0.310 54.275 54.000 -0.057 0.000 0.841 386 D CB -1.250 39.524 40.800 -0.043 0.000 1.096 386 D HN 0.247 nan 8.370 nan 0.000 0.435 387 L N 0.103 121.327 121.223 0.003 0.000 2.475 387 L HA 0.279 4.620 4.340 0.002 0.000 0.253 387 L C 1.275 178.119 176.870 -0.043 0.000 1.198 387 L CA -0.333 54.531 54.840 0.039 0.000 0.814 387 L CB 0.315 42.463 42.059 0.149 0.000 1.134 387 L HN 0.009 nan 8.230 nan 0.000 0.478 388 D N 0.647 121.039 120.400 -0.012 0.000 2.631 388 D HA -0.008 4.633 4.640 0.002 0.000 0.227 388 D C 0.784 176.947 176.300 -0.229 0.000 1.146 388 D CA -0.209 53.745 54.000 -0.077 0.000 1.009 388 D CB 0.413 41.215 40.800 0.002 0.000 1.057 388 D HN 0.594 nan 8.370 nan 0.000 0.509 389 T N -0.193 114.029 114.554 -0.555 0.000 3.745 389 T HA -0.026 4.325 4.350 0.002 0.000 0.253 389 T C 1.279 175.606 174.700 -0.622 0.000 1.088 389 T CA -0.092 61.239 62.100 -1.282 0.000 0.969 389 T CB -0.115 67.909 68.868 -1.407 0.000 1.075 389 T HN 0.244 nan 8.240 nan 0.000 0.608 390 R N -0.212 120.132 120.500 -0.260 0.000 2.206 390 R HA 0.144 4.485 4.340 0.002 0.000 0.198 390 R C 0.205 176.523 176.300 0.029 0.000 0.986 390 R CA 0.480 56.522 56.100 -0.097 0.000 1.029 390 R CB 0.443 30.702 30.300 -0.067 0.000 0.966 390 R HN 0.392 nan 8.270 nan 0.000 0.487 391 T N -0.849 113.776 114.554 0.119 0.000 2.933 391 T HA 0.117 4.468 4.350 0.002 0.000 0.305 391 T C 0.845 175.728 174.700 0.303 0.000 1.092 391 T CA -0.186 62.019 62.100 0.176 0.000 1.008 391 T CB 1.846 70.778 68.868 0.106 0.000 1.102 391 T HN 0.282 nan 8.240 nan 0.000 0.469 392 T N 0.645 115.335 114.554 0.226 0.000 2.881 392 T HA -0.104 4.247 4.350 0.002 0.000 0.270 392 T C 2.000 176.746 174.700 0.078 0.000 1.068 392 T CA 1.786 63.971 62.100 0.141 0.000 1.131 392 T CB -0.605 68.299 68.868 0.059 0.000 0.871 392 T HN 0.629 nan 8.240 nan 0.000 0.479 393 S N 1.899 117.653 115.700 0.090 0.000 2.507 393 S HA -0.058 4.413 4.470 0.002 0.000 0.235 393 S C 2.114 176.759 174.600 0.076 0.000 0.988 393 S CA 0.821 59.058 58.200 0.062 0.000 0.944 393 S CB -0.767 62.465 63.200 0.053 0.000 0.762 393 S HN 0.796 nan 8.310 nan 0.000 0.526 394 S N 1.483 117.265 115.700 0.136 0.000 2.558 394 S HA 0.276 4.747 4.470 0.002 0.000 0.217 394 S C 0.887 175.563 174.600 0.127 0.000 0.975 394 S CA -0.029 58.260 58.200 0.147 0.000 0.912 394 S CB -0.898 62.425 63.200 0.206 0.000 0.776 394 S HN 0.553 nan 8.310 nan 0.000 0.526 395 L N 1.124 122.380 121.223 0.055 0.000 3.717 395 L HA -0.174 4.168 4.340 0.002 0.000 0.414 395 L C 1.602 178.447 176.870 -0.042 0.000 1.228 395 L CA 0.668 55.470 54.840 -0.063 0.000 0.918 395 L CB -2.351 39.692 42.059 -0.028 0.000 1.865 395 L HN 0.734 nan 8.230 nan 0.000 0.922 396 W N -0.168 121.145 121.300 0.022 0.000 2.388 396 W HA -0.119 4.542 4.660 0.001 0.000 0.294 396 W C 1.726 178.264 176.519 0.032 0.000 1.212 396 W CA 1.219 58.580 57.345 0.028 0.000 1.271 396 W CB -0.721 28.754 29.460 0.024 0.000 1.126 396 W HN 0.274 nan 8.180 nan 0.000 0.535 397 K N 1.073 120.912 120.400 -0.935 0.000 2.057 397 K HA -0.166 4.155 4.320 0.002 0.000 0.207 397 K C 1.482 177.903 176.600 -0.298 0.000 1.049 397 K CA 2.357 58.156 56.287 -0.813 0.000 0.931 397 K CB -0.359 31.492 32.500 -1.082 0.000 0.714 397 K HN 0.075 nan 8.250 nan 0.000 0.440 398 D N 0.566 120.820 120.400 -0.243 0.000 2.144 398 D HA -0.097 4.545 4.640 0.002 0.000 0.200 398 D C 1.685 177.962 176.300 -0.039 0.000 0.978 398 D CA 1.106 55.034 54.000 -0.120 0.000 0.833 398 D CB 0.066 40.806 40.800 -0.100 0.000 0.961 398 D HN 0.116 nan 8.370 nan 0.000 0.470 399 K N 0.472 120.874 120.400 0.004 0.000 2.057 399 K HA 0.033 4.354 4.320 0.002 0.000 0.206 399 K C 2.173 178.826 176.600 0.089 0.000 1.050 399 K CA 1.001 57.324 56.287 0.060 0.000 0.935 399 K CB -0.089 32.470 32.500 0.097 0.000 0.715 399 K HN 0.071 nan 8.250 nan 0.000 0.439 400 A N 1.707 124.603 122.820 0.126 0.000 1.858 400 A HA -0.135 4.186 4.320 0.002 0.000 0.216 400 A C 2.413 180.067 177.584 0.117 0.000 1.190 400 A CA 1.881 54.022 52.037 0.173 0.000 0.617 400 A CB -0.863 18.288 19.000 0.251 0.000 0.827 400 A HN 0.320 nan 8.150 nan 0.000 0.443 401 A N -0.370 122.480 122.820 0.050 0.000 1.903 401 A HA -0.137 4.185 4.320 0.002 0.000 0.219 401 A C 2.240 179.826 177.584 0.003 0.000 1.191 401 A CA 2.312 54.353 52.037 0.006 0.000 0.638 401 A CB -1.205 17.763 19.000 -0.053 0.000 0.823 401 A HN 0.562 nan 8.150 nan 0.000 0.451 402 V N 0.232 120.153 119.914 0.012 0.000 2.343 402 V HA -0.222 3.899 4.120 0.002 0.000 0.247 402 V C 2.486 178.601 176.094 0.034 0.000 1.051 402 V CA 2.065 64.377 62.300 0.020 0.000 1.036 402 V CB -0.854 30.990 31.823 0.035 0.000 0.654 402 V HN 0.535 nan 8.190 nan 0.000 0.451 403 E N 0.278 120.516 120.200 0.062 0.000 2.072 403 E HA -0.128 4.223 4.350 0.002 0.000 0.191 403 E C 2.203 178.809 176.600 0.009 0.000 0.985 403 E CA 1.292 57.740 56.400 0.081 0.000 0.801 403 E CB -0.312 29.410 29.700 0.037 0.000 0.750 403 E HN 0.594 nan 8.360 nan 0.000 0.452 404 I N 1.348 121.948 120.570 0.051 0.000 2.226 404 I HA -0.293 3.878 4.170 0.002 0.000 0.245 404 I C 1.786 177.873 176.117 -0.050 0.000 1.100 404 I CA 1.218 62.550 61.300 0.053 0.000 1.374 404 I CB -0.442 37.651 38.000 0.156 0.000 1.057 404 I HN 0.045 nan 8.210 nan 0.000 0.413 405 N N 0.693 119.361 118.700 -0.054 0.000 2.188 405 N HA -0.167 4.574 4.740 0.002 0.000 0.184 405 N C 1.684 177.146 175.510 -0.080 0.000 1.018 405 N CA 0.826 53.825 53.050 -0.085 0.000 0.858 405 N CB -0.164 38.276 38.487 -0.078 0.000 0.989 405 N HN 0.161 nan 8.380 nan 0.000 0.426 406 L N 0.614 121.790 121.223 -0.077 0.000 2.093 406 L HA 0.055 4.396 4.340 0.002 0.000 0.208 406 L C 1.989 178.730 176.870 -0.215 0.000 1.085 406 L CA 1.201 55.966 54.840 -0.125 0.000 0.755 406 L CB -0.806 41.173 42.059 -0.134 0.000 0.904 406 L HN 0.145 nan 8.230 nan 0.000 0.435 407 A N -1.218 121.427 122.820 -0.292 0.000 1.902 407 A HA -0.160 4.161 4.320 0.002 0.000 0.217 407 A C 2.282 179.796 177.584 -0.116 0.000 1.181 407 A CA 2.040 53.846 52.037 -0.385 0.000 0.623 407 A CB -1.083 17.390 19.000 -0.877 0.000 0.818 407 A HN 0.275 nan 8.150 nan 0.000 0.443 408 V N 0.015 119.880 119.914 -0.082 0.000 2.237 408 V HA -0.273 3.848 4.120 0.002 0.000 0.245 408 V C 2.588 178.688 176.094 0.010 0.000 1.046 408 V CA 2.081 64.366 62.300 -0.025 0.000 1.007 408 V CB -0.776 30.945 31.823 -0.171 0.000 0.638 408 V HN 0.589 nan 8.190 nan 0.000 0.445 409 L N -0.511 120.685 121.223 -0.045 0.000 2.043 409 L HA -0.279 4.062 4.340 0.002 0.000 0.212 409 L C 2.581 179.480 176.870 0.048 0.000 1.075 409 L CA 2.239 57.074 54.840 -0.009 0.000 0.752 409 L CB -0.735 41.315 42.059 -0.015 0.000 0.891 409 L HN 0.534 nan 8.230 nan 0.000 0.432 410 H N -0.599 118.428 119.070 -0.071 0.000 2.326 410 H HA -0.115 4.442 4.556 0.002 0.000 0.301 410 H C 2.349 177.665 175.328 -0.020 0.000 1.081 410 H CA 1.884 57.881 56.048 -0.085 0.000 1.334 410 H CB 0.026 29.670 29.762 -0.196 0.000 1.385 410 H HN 0.146 nan 8.280 nan 0.000 0.504 411 S N -0.454 115.198 115.700 -0.081 0.000 2.382 411 S HA -0.116 4.355 4.470 0.002 0.000 0.228 411 S C 1.978 176.553 174.600 -0.043 0.000 1.027 411 S CA 1.248 59.394 58.200 -0.091 0.000 0.991 411 S CB -0.466 62.780 63.200 0.077 0.000 0.823 411 S HN 0.387 nan 8.310 nan 0.000 0.469 412 F N 1.550 121.438 119.950 -0.103 0.000 2.259 412 F HA -0.076 4.452 4.527 0.002 0.000 0.298 412 F C 2.738 178.482 175.800 -0.093 0.000 1.088 412 F CA 0.842 58.803 58.000 -0.064 0.000 1.358 412 F CB -0.124 38.862 39.000 -0.023 0.000 1.040 412 F HN 0.170 nan 8.300 nan 0.000 0.505 413 Q N -0.292 119.528 119.800 0.034 0.000 2.083 413 Q HA -0.167 4.174 4.340 0.002 0.000 0.198 413 Q C 2.118 178.047 176.000 -0.118 0.000 0.969 413 Q CA 1.043 56.821 55.803 -0.042 0.000 0.838 413 Q CB -0.268 28.443 28.738 -0.045 0.000 0.900 413 Q HN 0.308 nan 8.270 nan 0.000 0.436 414 L N 0.173 121.260 121.223 -0.227 0.000 2.042 414 L HA -0.131 4.210 4.340 0.002 0.000 0.210 414 L C 1.862 178.637 176.870 -0.157 0.000 1.076 414 L CA 2.021 56.717 54.840 -0.240 0.000 0.749 414 L CB -0.545 41.288 42.059 -0.378 0.000 0.893 414 L HN 0.169 nan 8.230 nan 0.000 0.432 415 A N -1.550 121.171 122.820 -0.165 0.000 2.238 415 A HA -0.008 4.313 4.320 0.002 0.000 0.208 415 A C 0.964 178.471 177.584 -0.128 0.000 1.177 415 A CA 0.221 52.165 52.037 -0.155 0.000 0.804 415 A CB -0.526 18.341 19.000 -0.221 0.000 0.823 415 A HN 0.463 nan 8.150 nan 0.000 0.482 416 K N -1.001 119.338 120.400 -0.102 0.000 3.244 416 K HA -0.121 4.200 4.320 0.002 0.000 0.270 416 K C -0.938 175.620 176.600 -0.069 0.000 1.016 416 K CA 0.621 56.863 56.287 -0.074 0.000 0.754 416 K CB -1.881 30.578 32.500 -0.068 0.000 1.326 416 K HN 0.244 nan 8.250 nan 0.000 0.465 417 V N 0.827 120.710 119.914 -0.052 0.000 2.604 417 V HA 0.192 4.314 4.120 0.002 0.000 0.305 417 V C 0.634 176.801 176.094 0.121 0.000 1.043 417 V CA -0.829 61.469 62.300 -0.003 0.000 0.888 417 V CB 2.138 33.878 31.823 -0.139 0.000 0.995 417 V HN 0.285 nan 8.190 nan 0.000 0.429 418 T N 5.787 120.374 114.554 0.054 0.000 2.871 418 T HA 0.402 4.753 4.350 0.002 0.000 0.296 418 T C -0.331 174.429 174.700 0.099 0.000 0.998 418 T CA 0.852 62.905 62.100 -0.079 0.000 1.162 418 T CB -0.034 68.630 68.868 -0.338 0.000 0.947 418 T HN 0.488 nan 8.240 nan 0.000 0.536 419 I N 3.332 123.906 120.570 0.007 0.000 2.918 419 I HA 0.636 4.807 4.170 0.002 0.000 0.301 419 I C -1.552 174.584 176.117 0.032 0.000 1.312 419 I CA -0.802 60.532 61.300 0.058 0.000 1.007 419 I CB 2.203 40.192 38.000 -0.019 0.000 1.281 419 I HN 0.414 nan 8.210 nan 0.000 0.440 420 V N 6.109 126.097 119.914 0.123 0.000 2.577 420 V HA 0.535 4.656 4.120 0.002 0.000 0.303 420 V C -1.080 175.067 176.094 0.089 0.000 1.042 420 V CA -0.326 62.054 62.300 0.134 0.000 0.872 420 V CB 1.907 33.906 31.823 0.294 0.000 0.998 420 V HN 0.928 nan 8.190 nan 0.000 0.423 421 D N 4.293 124.724 120.400 0.051 0.000 2.371 421 D HA 0.107 4.748 4.640 0.002 0.000 0.242 421 D C 1.267 177.576 176.300 0.016 0.000 1.218 421 D CA 0.332 54.352 54.000 0.034 0.000 0.945 421 D CB 0.382 41.172 40.800 -0.017 0.000 1.137 421 D HN 0.740 nan 8.370 nan 0.000 0.464 422 H N -0.730 118.260 119.070 -0.134 0.000 2.495 422 H HA -0.083 4.474 4.556 0.002 0.000 0.287 422 H C 0.959 176.183 175.328 -0.173 0.000 1.033 422 H CA 1.124 57.062 56.048 -0.183 0.000 1.307 422 H CB -0.476 29.119 29.762 -0.279 0.000 1.401 422 H HN 0.507 nan 8.280 nan 0.000 0.555 423 H N 1.082 119.940 119.070 -0.352 0.000 2.343 423 H HA 0.200 4.757 4.556 0.002 0.000 0.303 423 H C 2.505 177.803 175.328 -0.051 0.000 1.068 423 H CA 1.200 57.133 56.048 -0.191 0.000 1.359 423 H CB -0.271 29.347 29.762 -0.240 0.000 1.402 423 H HN 0.473 nan 8.280 nan 0.000 0.515 424 A N 1.658 124.524 122.820 0.078 0.000 1.865 424 A HA -0.158 4.164 4.320 0.002 0.000 0.217 424 A C 2.712 180.365 177.584 0.114 0.000 1.191 424 A CA 2.159 54.249 52.037 0.088 0.000 0.623 424 A CB -1.032 18.013 19.000 0.076 0.000 0.826 424 A HN 0.431 nan 8.150 nan 0.000 0.444 425 A N -0.339 122.548 122.820 0.113 0.000 1.892 425 A HA -0.175 4.146 4.320 0.002 0.000 0.218 425 A C 2.465 180.146 177.584 0.161 0.000 1.188 425 A CA 2.981 55.103 52.037 0.143 0.000 0.631 425 A CB -1.585 17.485 19.000 0.118 0.000 0.822 425 A HN 0.858 nan 8.150 nan 0.000 0.447 426 T N -2.858 111.776 114.554 0.133 0.000 2.915 426 T HA -0.046 4.305 4.350 0.002 0.000 0.269 426 T C 1.661 176.489 174.700 0.214 0.000 1.071 426 T CA 1.302 63.508 62.100 0.176 0.000 1.132 426 T CB -0.595 68.345 68.868 0.120 0.000 0.878 426 T HN 0.062 nan 8.240 nan 0.000 0.479 427 V N 2.729 122.743 119.914 0.166 0.000 2.358 427 V HA -0.160 3.961 4.120 0.002 0.000 0.246 427 V C 3.216 179.397 176.094 0.145 0.000 1.047 427 V CA 2.028 64.414 62.300 0.143 0.000 1.035 427 V CB -0.879 31.010 31.823 0.110 0.000 0.658 427 V HN 0.790 nan 8.190 nan 0.000 0.452 428 S N -0.033 115.763 115.700 0.161 0.000 2.382 428 S HA -0.246 4.225 4.470 0.002 0.000 0.228 428 S C 1.993 176.709 174.600 0.192 0.000 1.027 428 S CA 1.666 59.962 58.200 0.160 0.000 0.991 428 S CB -0.777 62.527 63.200 0.174 0.000 0.823 428 S HN 0.500 nan 8.310 nan 0.000 0.469 429 F N 2.005 122.012 119.950 0.095 0.000 2.234 429 F HA 0.096 4.624 4.527 0.002 0.000 0.299 429 F C 2.244 178.124 175.800 0.133 0.000 1.087 429 F CA 1.089 59.154 58.000 0.107 0.000 1.340 429 F CB -0.351 38.690 39.000 0.068 0.000 1.031 429 F HN 0.110 nan 8.300 nan 0.000 0.500 430 M N 0.289 119.953 119.600 0.107 0.000 2.117 430 M HA -0.206 4.275 4.480 0.002 0.000 0.262 430 M C 2.103 178.374 176.300 -0.048 0.000 1.065 430 M CA 1.586 56.899 55.300 0.022 0.000 1.114 430 M CB -1.179 31.479 32.600 0.096 0.000 1.361 430 M HN 0.119 nan 8.290 nan 0.000 0.408 431 K N -1.265 119.137 120.400 0.003 0.000 2.026 431 K HA -0.220 4.101 4.320 0.002 0.000 0.208 431 K C 2.011 178.582 176.600 -0.048 0.000 1.048 431 K CA 1.590 57.873 56.287 -0.006 0.000 0.929 431 K CB -0.442 32.080 32.500 0.037 0.000 0.713 431 K HN 0.315 nan 8.250 nan 0.000 0.439 432 H N 1.173 120.143 119.070 -0.166 0.000 2.353 432 H HA -0.088 4.469 4.556 0.002 0.000 0.298 432 H C 1.811 176.969 175.328 -0.285 0.000 1.103 432 H CA 1.620 57.542 56.048 -0.210 0.000 1.293 432 H CB -0.194 29.399 29.762 -0.282 0.000 1.372 432 H HN 0.060 nan 8.280 nan 0.000 0.501 433 L N -0.366 120.605 121.223 -0.421 0.000 2.042 433 L HA -0.195 4.147 4.340 0.002 0.000 0.210 433 L C 2.277 179.000 176.870 -0.245 0.000 1.076 433 L CA 1.972 56.588 54.840 -0.374 0.000 0.749 433 L CB -0.476 41.406 42.059 -0.295 0.000 0.893 433 L HN 0.427 nan 8.230 nan 0.000 0.432 434 D N -0.284 120.009 120.400 -0.178 0.000 2.097 434 D HA -0.178 4.463 4.640 0.002 0.000 0.197 434 D C 1.914 178.137 176.300 -0.128 0.000 0.984 434 D CA 1.066 54.995 54.000 -0.118 0.000 0.826 434 D CB 0.161 40.917 40.800 -0.073 0.000 0.973 434 D HN 0.154 nan 8.370 nan 0.000 0.460 435 N N 0.571 119.181 118.700 -0.149 0.000 2.149 435 N HA -0.134 4.607 4.740 0.002 0.000 0.188 435 N C 1.492 176.905 175.510 -0.161 0.000 1.019 435 N CA 0.794 53.768 53.050 -0.125 0.000 0.857 435 N CB -0.213 38.218 38.487 -0.094 0.000 0.997 435 N HN 0.348 nan 8.380 nan 0.000 0.426 436 E N 0.385 120.412 120.200 -0.288 0.000 2.216 436 E HA -0.120 4.231 4.350 0.002 0.000 0.192 436 E C 1.804 178.309 176.600 -0.160 0.000 0.988 436 E CA 0.439 56.677 56.400 -0.271 0.000 0.834 436 E CB -0.023 29.423 29.700 -0.424 0.000 0.772 436 E HN 0.337 nan 8.360 nan 0.000 0.479 437 Q N 1.562 121.279 119.800 -0.139 0.000 2.079 437 Q HA -0.094 4.247 4.340 0.002 0.000 0.200 437 Q C 1.757 177.714 176.000 -0.071 0.000 0.974 437 Q CA 1.621 57.370 55.803 -0.090 0.000 0.840 437 Q CB 0.083 28.774 28.738 -0.078 0.000 0.898 437 Q HN 0.121 nan 8.270 nan 0.000 0.430 438 K N -0.546 119.813 120.400 -0.069 0.000 2.062 438 K HA 0.021 4.342 4.320 0.002 0.000 0.205 438 K C 2.086 178.658 176.600 -0.046 0.000 1.051 438 K CA 1.001 57.258 56.287 -0.050 0.000 0.941 438 K CB -0.237 32.237 32.500 -0.043 0.000 0.719 438 K HN 0.221 nan 8.250 nan 0.000 0.440 439 A N 1.652 124.442 122.820 -0.051 0.000 1.858 439 A HA -0.120 4.202 4.320 0.002 0.000 0.216 439 A C 1.933 179.494 177.584 -0.039 0.000 1.190 439 A CA 1.411 53.428 52.037 -0.033 0.000 0.617 439 A CB -0.163 18.827 19.000 -0.016 0.000 0.827 439 A HN 0.188 nan 8.150 nan 0.000 0.443 440 R N -2.838 117.626 120.500 -0.060 0.000 2.469 440 R HA 0.286 4.627 4.340 0.002 0.000 0.250 440 R C 0.852 177.114 176.300 -0.064 0.000 0.909 440 R CA 0.573 56.639 56.100 -0.056 0.000 1.050 440 R CB 0.752 31.015 30.300 -0.062 0.000 1.256 440 R HN 0.758 nan 8.270 nan 0.000 0.550 441 G N 0.680 109.438 108.800 -0.070 0.000 2.130 441 G HA2 -0.129 3.832 3.960 0.002 0.000 0.216 441 G HA3 -0.129 3.832 3.960 0.002 0.000 0.216 441 G C 0.173 175.033 174.900 -0.066 0.000 0.999 441 G CA -0.177 44.875 45.100 -0.081 0.000 0.686 441 G HN 0.715 nan 8.290 nan 0.000 0.515 442 G N -2.252 106.522 108.800 -0.043 0.000 2.341 442 G HA2 0.554 4.515 3.960 0.002 0.000 0.293 442 G HA3 0.554 4.515 3.960 0.002 0.000 0.293 442 G C -0.833 174.074 174.900 0.011 0.000 1.298 442 G CA 0.485 45.591 45.100 0.009 0.000 0.868 442 G HN 2.000 nan 8.290 nan 0.000 0.540 443 C N 1.803 121.142 119.300 0.065 0.000 2.947 443 C HA 0.724 5.185 4.460 0.002 0.000 0.401 443 C C -2.611 172.366 174.990 -0.021 0.000 1.019 443 C CA -1.021 57.997 59.018 0.000 0.000 1.230 443 C CB 1.372 29.071 27.740 -0.068 0.000 1.644 443 C HN 0.747 nan 8.230 nan 0.000 0.523 444 P HA 0.452 nan 4.420 nan 0.000 0.276 444 P C -0.721 176.471 177.300 -0.180 0.000 1.235 444 P CA 0.450 63.185 63.100 -0.608 0.000 0.772 444 P CB 1.294 32.320 31.700 -1.122 0.000 0.871 445 A N 2.529 125.312 122.820 -0.062 0.000 2.520 445 A HA 0.427 4.748 4.320 0.002 0.000 0.298 445 A C -1.114 176.513 177.584 0.072 0.000 1.051 445 A CA -0.561 51.517 52.037 0.068 0.000 0.690 445 A CB 1.335 20.479 19.000 0.241 0.000 1.281 445 A HN 0.460 nan 8.150 nan 0.000 0.402 446 D N 1.833 122.263 120.400 0.051 0.000 2.443 446 D HA 0.144 4.786 4.640 0.002 0.000 0.221 446 D C 0.784 177.198 176.300 0.189 0.000 1.097 446 D CA -0.461 53.597 54.000 0.098 0.000 0.865 446 D CB 0.424 41.211 40.800 -0.022 0.000 1.034 446 D HN 0.594 nan 8.370 nan 0.000 0.511 447 W N 4.320 125.662 121.300 0.071 0.000 2.302 447 W HA -0.304 4.357 4.660 0.002 0.000 0.320 447 W C 1.979 178.547 176.519 0.082 0.000 1.241 447 W CA 2.498 59.879 57.345 0.059 0.000 1.264 447 W CB -0.062 29.411 29.460 0.021 0.000 1.154 447 W HN 0.561 nan 8.180 nan 0.000 0.483 448 A N -1.412 121.693 122.820 0.475 0.000 2.076 448 A HA -0.197 4.124 4.320 0.002 0.000 0.220 448 A C 1.484 179.162 177.584 0.157 0.000 1.160 448 A CA 1.636 53.889 52.037 0.361 0.000 0.653 448 A CB -1.206 18.047 19.000 0.420 0.000 0.801 448 A HN 0.546 nan 8.150 nan 0.000 0.455 449 W N -0.997 120.264 121.300 -0.064 0.000 2.683 449 W HA 0.196 4.857 4.660 0.002 0.000 0.267 449 W C 1.866 178.259 176.519 -0.209 0.000 1.243 449 W CA -0.086 57.198 57.345 -0.102 0.000 1.380 449 W CB -0.084 29.343 29.460 -0.055 0.000 1.063 449 W HN 0.125 nan 8.180 nan 0.000 0.599 450 I N -0.001 120.518 120.570 -0.085 0.000 2.315 450 I HA -0.092 4.079 4.170 0.002 0.000 0.248 450 I C 0.643 176.551 176.117 -0.348 0.000 1.117 450 I CA 0.849 61.970 61.300 -0.298 0.000 1.404 450 I CB -1.509 36.257 38.000 -0.390 0.000 1.071 450 I HN -0.416 nan 8.210 nan 0.000 0.419 451 V N 3.825 123.446 119.914 -0.489 0.000 2.521 451 V HA 0.080 4.201 4.120 0.002 0.000 0.286 451 V C -1.883 174.037 176.094 -0.290 0.000 1.034 451 V CA -1.095 60.923 62.300 -0.470 0.000 1.045 451 V CB 0.161 31.488 31.823 -0.826 0.000 0.974 451 V HN 0.126 nan 8.190 nan 0.000 0.480 452 P HA 0.087 nan 4.420 nan 0.000 0.268 452 P C -1.724 175.449 177.300 -0.212 0.000 1.208 452 P CA -0.990 61.986 63.100 -0.208 0.000 0.777 452 P CB 0.047 31.632 31.700 -0.191 0.000 0.875 453 P HA -0.040 nan 4.420 nan 0.000 0.230 453 P C 0.212 177.401 177.300 -0.185 0.000 1.158 453 P CA 1.266 64.245 63.100 -0.201 0.000 0.769 453 P CB -0.011 31.558 31.700 -0.218 0.000 0.807 454 I N -6.920 113.505 120.570 -0.241 0.000 2.828 454 I HA 0.465 4.636 4.170 0.002 0.000 0.302 454 I C -0.083 175.927 176.117 -0.177 0.000 1.101 454 I CA -1.254 59.922 61.300 -0.207 0.000 1.031 454 I CB 2.007 39.859 38.000 -0.246 0.000 1.231 454 I HN -0.407 nan 8.210 nan 0.000 0.427 455 S N 2.251 117.896 115.700 -0.091 0.000 3.581 455 S HA -0.192 4.279 4.470 0.002 0.000 0.354 455 S C 1.371 175.945 174.600 -0.043 0.000 1.059 455 S CA 0.796 58.981 58.200 -0.025 0.000 1.060 455 S CB -1.657 61.604 63.200 0.103 0.000 0.908 455 S HN 1.270 nan 8.310 nan 0.000 0.475 456 G N 2.308 111.051 108.800 -0.094 0.000 2.631 456 G HA2 -0.326 3.635 3.960 0.002 0.000 0.219 456 G HA3 -0.326 3.635 3.960 0.002 0.000 0.219 456 G C 1.456 176.212 174.900 -0.240 0.000 1.214 456 G CA 1.527 46.580 45.100 -0.078 0.000 0.785 456 G HN 1.285 nan 8.290 nan 0.000 0.596 457 S N 0.332 115.589 115.700 -0.739 0.000 2.555 457 S HA 0.160 4.631 4.470 0.002 0.000 0.230 457 S C 2.009 176.548 174.600 -0.103 0.000 0.978 457 S CA 0.599 58.244 58.200 -0.924 0.000 0.934 457 S CB -0.197 62.321 63.200 -1.137 0.000 0.766 457 S HN 0.328 nan 8.310 nan 0.000 0.533 458 L N 1.999 123.214 121.223 -0.012 0.000 2.591 458 L HA 0.173 4.515 4.340 0.002 0.000 0.228 458 L C 1.094 178.099 176.870 0.224 0.000 1.133 458 L CA 0.322 55.241 54.840 0.133 0.000 0.880 458 L CB -0.891 41.271 42.059 0.171 0.000 1.033 458 L HN 0.459 nan 8.230 nan 0.000 0.450 459 T N -4.278 110.395 114.554 0.198 0.000 2.888 459 T HA 0.333 4.684 4.350 0.002 0.000 0.284 459 T C -1.666 173.201 174.700 0.278 0.000 1.017 459 T CA -2.053 60.182 62.100 0.225 0.000 1.022 459 T CB 2.174 71.129 68.868 0.144 0.000 1.013 459 T HN -0.216 nan 8.240 nan 0.000 0.465 460 P HA -0.154 nan 4.420 nan 0.000 0.216 460 P C 1.884 179.377 177.300 0.322 0.000 1.150 460 P CA 1.520 64.814 63.100 0.324 0.000 0.837 460 P CB -0.397 31.440 31.700 0.228 0.000 0.786 461 V N -3.313 116.742 119.914 0.234 0.000 2.568 461 V HA -0.230 3.891 4.120 0.002 0.000 0.253 461 V C 2.400 178.585 176.094 0.153 0.000 1.072 461 V CA 1.573 63.983 62.300 0.184 0.000 1.084 461 V CB -2.324 29.547 31.823 0.079 0.000 0.676 461 V HN -0.093 nan 8.190 nan 0.000 0.469 462 F N 1.510 121.436 119.950 -0.039 0.000 2.171 462 F HA -0.118 4.410 4.527 0.002 0.000 0.300 462 F C 2.436 178.283 175.800 0.079 0.000 1.090 462 F CA 2.075 60.052 58.000 -0.037 0.000 1.293 462 F CB -0.213 38.642 39.000 -0.242 0.000 1.013 462 F HN 0.264 nan 8.300 nan 0.000 0.486 463 H N -0.848 118.543 119.070 0.534 0.000 2.539 463 H HA 0.100 4.657 4.556 0.002 0.000 0.267 463 H C 0.286 175.848 175.328 0.389 0.000 0.982 463 H CA 0.239 56.554 56.048 0.445 0.000 1.146 463 H CB -0.215 29.788 29.762 0.401 0.000 1.382 463 H HN 0.257 nan 8.280 nan 0.000 0.577 464 Q N 1.940 121.991 119.800 0.418 0.000 2.314 464 Q HA 0.159 4.501 4.340 0.002 0.000 0.259 464 Q C -0.540 175.688 176.000 0.380 0.000 0.951 464 Q CA -0.385 55.628 55.803 0.350 0.000 0.909 464 Q CB 0.817 29.726 28.738 0.286 0.000 1.236 464 Q HN 0.229 nan 8.270 nan 0.000 0.444 465 E N 3.436 123.817 120.200 0.302 0.000 2.383 465 E HA 0.319 4.670 4.350 0.002 0.000 0.264 465 E C -0.506 176.239 176.600 0.241 0.000 1.050 465 E CA 0.123 56.669 56.400 0.244 0.000 0.896 465 E CB 0.901 30.724 29.700 0.206 0.000 0.982 465 E HN 0.604 nan 8.360 nan 0.000 0.424 466 M N 1.316 121.064 119.600 0.247 0.000 2.550 466 M HA 0.394 4.875 4.480 0.002 0.000 0.292 466 M C -1.215 175.200 176.300 0.192 0.000 1.221 466 M CA -0.992 54.452 55.300 0.241 0.000 0.873 466 M CB 2.444 35.238 32.600 0.323 0.000 1.727 466 M HN 0.146 nan 8.290 nan 0.000 0.459 467 V N 1.843 121.875 119.914 0.196 0.000 2.448 467 V HA 0.486 4.607 4.120 0.002 0.000 0.295 467 V C -0.787 175.432 176.094 0.209 0.000 1.025 467 V CA -0.712 61.730 62.300 0.236 0.000 0.859 467 V CB 1.739 33.747 31.823 0.309 0.000 0.988 467 V HN 0.819 nan 8.190 nan 0.000 0.431 468 N N 3.791 122.601 118.700 0.184 0.000 2.362 468 N HA 0.723 5.464 4.740 0.002 0.000 0.298 468 N C -1.191 174.403 175.510 0.140 0.000 1.048 468 N CA -0.395 52.672 53.050 0.029 0.000 0.858 468 N CB 1.531 40.042 38.487 0.040 0.000 1.218 468 N HN 0.664 nan 8.380 nan 0.000 0.488 469 Y N -0.150 120.168 120.300 0.030 0.000 2.741 469 Y HA 0.505 5.056 4.550 0.002 0.000 0.339 469 Y C -1.300 174.604 175.900 0.006 0.000 1.226 469 Y CA -1.224 56.889 58.100 0.021 0.000 1.072 469 Y CB 0.722 39.201 38.460 0.031 0.000 1.331 469 Y HN 0.225 nan 8.280 nan 0.000 0.453 470 I N 3.504 124.182 120.570 0.180 0.000 2.307 470 I HA 0.388 4.559 4.170 0.002 0.000 0.289 470 I C -0.798 175.391 176.117 0.120 0.000 1.021 470 I CA -0.421 60.927 61.300 0.080 0.000 1.224 470 I CB 0.852 38.881 38.000 0.050 0.000 1.376 470 I HN 0.397 nan 8.210 nan 0.000 0.470 471 L N 5.144 126.404 121.223 0.062 0.000 2.334 471 L HA 0.524 4.865 4.340 0.002 0.000 0.276 471 L C 0.098 176.971 176.870 0.005 0.000 1.014 471 L CA -0.419 54.461 54.840 0.065 0.000 0.815 471 L CB 2.028 44.120 42.059 0.056 0.000 1.268 471 L HN 0.525 nan 8.230 nan 0.000 0.428 472 S N 2.435 118.147 115.700 0.020 0.000 2.503 472 S HA 0.614 5.085 4.470 0.002 0.000 0.301 472 S C -2.545 172.072 174.600 0.029 0.000 1.087 472 S CA -1.474 56.725 58.200 -0.001 0.000 1.042 472 S CB 1.755 64.969 63.200 0.023 0.000 1.043 472 S HN 0.254 nan 8.310 nan 0.000 0.489 473 P HA 0.305 nan 4.420 nan 0.000 0.264 473 P C -1.277 175.907 177.300 -0.192 0.000 1.179 473 P CA 0.190 63.213 63.100 -0.129 0.000 0.763 473 P CB 0.463 32.053 31.700 -0.182 0.000 0.806 474 A N 2.504 125.178 122.820 -0.244 0.000 2.587 474 A HA 0.704 5.026 4.320 0.002 0.000 0.293 474 A C -1.560 175.829 177.584 -0.324 0.000 1.087 474 A CA -0.534 51.360 52.037 -0.239 0.000 0.692 474 A CB 0.942 19.875 19.000 -0.112 0.000 1.291 474 A HN 0.348 nan 8.150 nan 0.000 0.407 475 F N 1.105 120.988 119.950 -0.113 0.000 2.415 475 F HA 0.621 5.149 4.527 0.002 0.000 0.348 475 F C 0.960 176.663 175.800 -0.162 0.000 1.119 475 F CA 0.017 57.949 58.000 -0.112 0.000 1.069 475 F CB 1.770 40.682 39.000 -0.147 0.000 1.124 475 F HN 0.568 nan 8.300 nan 0.000 0.472 476 R N 1.610 122.145 120.500 0.058 0.000 2.939 476 R HA 0.528 4.870 4.340 0.002 0.000 0.254 476 R C -1.458 174.821 176.300 -0.035 0.000 1.123 476 R CA -1.167 54.907 56.100 -0.043 0.000 1.020 476 R CB 1.426 31.732 30.300 0.010 0.000 1.206 476 R HN 0.415 nan 8.270 nan 0.000 0.491 477 Y N 0.774 121.094 120.300 0.033 0.000 2.374 477 Y HA 0.249 4.800 4.550 0.002 0.000 0.322 477 Y C 0.306 176.204 175.900 -0.003 0.000 1.275 477 Y CA -0.210 57.900 58.100 0.016 0.000 1.307 477 Y CB 1.259 39.715 38.460 -0.008 0.000 1.282 477 Y HN 0.449 nan 8.280 nan 0.000 0.509 478 Q N 0.298 120.194 119.800 0.160 0.000 2.482 478 Q HA 0.612 4.953 4.340 0.002 0.000 0.286 478 Q C -3.094 172.872 176.000 -0.057 0.000 1.007 478 Q CA -2.428 53.398 55.803 0.038 0.000 0.801 478 Q CB 1.580 30.336 28.738 0.030 0.000 1.455 478 Q HN 0.291 nan 8.270 nan 0.000 0.398 479 P HA 0.068 nan 4.420 nan 0.000 0.266 479 P C -1.044 176.034 177.300 -0.370 0.000 1.195 479 P CA 0.082 63.046 63.100 -0.226 0.000 0.768 479 P CB 0.355 31.942 31.700 -0.189 0.000 0.838 480 D N 3.655 123.686 120.400 -0.614 0.000 2.390 480 D HA 0.043 4.684 4.640 0.002 0.000 0.249 480 D C -1.405 174.260 176.300 -1.058 0.000 1.144 480 D CA -1.190 52.148 54.000 -1.102 0.000 0.880 480 D CB 0.373 40.054 40.800 -1.865 0.000 1.182 480 D HN 0.295 nan 8.370 nan 0.000 0.451 481 P HA 0.002 nan 4.420 nan 0.000 0.279 481 P C -0.695 176.369 177.300 -0.394 0.000 1.451 481 P CA 0.158 62.934 63.100 -0.540 0.000 0.783 481 P CB -0.561 30.913 31.700 -0.378 0.000 1.490 482 W N 0.000 121.024 121.300 -0.460 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.189 57.345 -0.260 0.000 1.226 482 W CB 0.000 29.229 29.460 -0.386 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535