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 3n5p_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRXXXXXXX DATA SEQUENCE XXXXPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 67 G C 0.000 174.881 174.900 -0.031 0.000 0.946 67 G CA 0.000 45.103 45.100 0.005 0.000 0.502 68 P HA 0.236 nan 4.420 nan 0.000 0.261 68 P C -0.256 177.052 177.300 0.014 0.000 1.183 68 P CA 0.131 63.134 63.100 -0.161 0.000 0.761 68 P CB 0.782 32.065 31.700 -0.695 0.000 0.785 69 K N 3.314 123.695 120.400 -0.031 0.000 3.358 69 K HA 0.127 4.452 4.320 0.009 0.000 0.297 69 K C -0.894 175.388 176.600 -0.531 0.000 1.064 69 K CA 0.080 56.225 56.287 -0.238 0.000 1.144 69 K CB -0.729 31.574 32.500 -0.329 0.000 1.289 69 K HN 0.375 nan 8.250 nan 0.000 0.372 70 F N -0.468 119.520 119.950 0.063 0.000 2.645 70 F HA 0.316 4.848 4.527 0.009 0.000 0.310 70 F C -2.177 173.736 175.800 0.188 0.000 1.102 70 F CA -2.577 55.484 58.000 0.103 0.000 0.952 70 F CB 1.427 40.493 39.000 0.109 0.000 1.326 70 F HN 0.083 nan 8.300 nan 0.000 0.456 71 P HA 0.096 nan 4.420 nan 0.000 0.265 71 P C -0.974 176.405 177.300 0.132 0.000 1.193 71 P CA -0.167 63.043 63.100 0.183 0.000 0.765 71 P CB 0.560 32.341 31.700 0.135 0.000 0.823 72 R N 2.593 123.094 120.500 0.002 0.000 2.294 72 R HA 0.507 4.852 4.340 0.009 0.000 0.319 72 R C -1.384 174.808 176.300 -0.180 0.000 0.984 72 R CA -0.645 55.274 56.100 -0.301 0.000 0.861 72 R CB 0.664 30.846 30.300 -0.197 0.000 1.104 72 R HN 0.251 nan 8.270 nan 0.000 0.451 73 V N 5.017 124.794 119.914 -0.229 0.000 2.540 73 V HA 0.359 4.484 4.120 0.009 0.000 0.302 73 V C -0.692 175.325 176.094 -0.127 0.000 1.035 73 V CA -0.709 61.534 62.300 -0.095 0.000 0.873 73 V CB 1.931 33.746 31.823 -0.012 0.000 0.992 73 V HN 0.720 nan 8.190 nan 0.000 0.428 74 K N 3.870 124.221 120.400 -0.083 0.000 2.345 74 K HA 0.466 4.791 4.320 0.009 0.000 0.255 74 K C -0.583 175.969 176.600 -0.080 0.000 0.934 74 K CA -0.687 55.483 56.287 -0.194 0.000 0.801 74 K CB 1.325 33.562 32.500 -0.440 0.000 1.137 74 K HN 0.614 nan 8.250 nan 0.000 0.424 75 N N 4.281 122.936 118.700 -0.075 0.000 2.415 75 N HA 0.074 4.819 4.740 0.009 0.000 0.246 75 N C -0.290 175.233 175.510 0.021 0.000 1.078 75 N CA -0.391 52.700 53.050 0.068 0.000 0.942 75 N CB 0.225 38.752 38.487 0.068 0.000 1.140 75 N HN 0.675 nan 8.380 nan 0.000 0.501 76 W N 1.834 123.215 121.300 0.135 0.000 2.611 76 W HA 0.056 4.721 4.660 0.009 0.000 0.251 76 W C 1.973 178.533 176.519 0.069 0.000 1.265 76 W CA 0.084 57.495 57.345 0.111 0.000 1.295 76 W CB 0.246 29.798 29.460 0.153 0.000 1.129 76 W HN 0.646 nan 8.180 nan 0.000 0.630 77 E N 0.189 120.531 120.200 0.238 0.000 2.086 77 E HA -0.100 4.255 4.350 0.009 0.000 0.190 77 E C 1.686 178.321 176.600 0.058 0.000 0.975 77 E CA 0.904 57.355 56.400 0.085 0.000 0.813 77 E CB -0.184 29.533 29.700 0.028 0.000 0.768 77 E HN 0.265 nan 8.360 nan 0.000 0.457 78 L N -0.644 120.609 121.223 0.050 0.000 2.640 78 L HA 0.277 4.622 4.340 0.009 0.000 0.230 78 L C 1.282 178.139 176.870 -0.021 0.000 1.123 78 L CA 0.343 55.193 54.840 0.016 0.000 0.900 78 L CB 0.614 42.687 42.059 0.022 0.000 1.146 78 L HN 0.329 nan 8.230 nan 0.000 0.484 79 G N 1.042 109.807 108.800 -0.058 0.000 2.187 79 G HA2 -0.325 3.640 3.960 0.009 0.000 0.261 79 G HA3 -0.325 3.640 3.960 0.009 0.000 0.261 79 G C 0.369 175.182 174.900 -0.144 0.000 1.000 79 G CA 0.622 45.637 45.100 -0.142 0.000 0.718 79 G HN 0.496 nan 8.290 nan 0.000 0.519 80 S N -0.392 115.244 115.700 -0.107 0.000 2.586 80 S HA 0.816 5.291 4.470 0.009 0.000 0.274 80 S C 0.064 174.586 174.600 -0.129 0.000 1.281 80 S CA -0.918 57.227 58.200 -0.092 0.000 1.035 80 S CB 2.168 65.339 63.200 -0.048 0.000 0.962 80 S HN 0.426 nan 8.310 nan 0.000 0.512 81 I N 2.210 122.706 120.570 -0.123 0.000 2.646 81 I HA 0.626 4.801 4.170 0.009 0.000 0.299 81 I C 0.419 176.440 176.117 -0.160 0.000 1.036 81 I CA -0.364 60.829 61.300 -0.178 0.000 1.074 81 I CB 1.515 39.392 38.000 -0.204 0.000 1.258 81 I HN 1.052 nan 8.210 nan 0.000 0.430 82 T N 1.058 115.465 114.554 -0.245 0.000 2.812 82 T HA 0.724 5.080 4.350 0.009 0.000 0.294 82 T C -1.353 173.120 174.700 -0.377 0.000 1.159 82 T CA -0.755 61.239 62.100 -0.177 0.000 1.008 82 T CB 1.963 70.790 68.868 -0.068 0.000 1.289 82 T HN 0.289 nan 8.240 nan 0.000 0.514 83 Y N -0.202 120.088 120.300 -0.017 0.000 2.425 83 Y HA 0.525 5.080 4.550 0.008 0.000 0.344 83 Y C -0.402 175.472 175.900 -0.043 0.000 0.969 83 Y CA -0.927 57.171 58.100 -0.003 0.000 1.052 83 Y CB 1.975 40.428 38.460 -0.011 0.000 1.215 83 Y HN 0.724 nan 8.280 nan 0.000 0.451 84 D N 1.678 122.162 120.400 0.141 0.000 2.317 84 D HA 0.144 4.789 4.640 0.009 0.000 0.234 84 D C 0.520 176.818 176.300 -0.004 0.000 1.112 84 D CA -0.017 54.023 54.000 0.067 0.000 0.840 84 D CB 1.485 42.357 40.800 0.119 0.000 1.078 84 D HN 0.790 nan 8.370 nan 0.000 0.486 85 T N 1.072 115.516 114.554 -0.184 0.000 3.001 85 T HA -0.026 4.329 4.350 0.009 0.000 0.251 85 T C 1.794 176.421 174.700 -0.122 0.000 1.040 85 T CA -0.256 61.643 62.100 -0.335 0.000 0.985 85 T CB 0.167 68.669 68.868 -0.609 0.000 1.011 85 T HN 0.239 nan 8.240 nan 0.000 0.509 86 L N 2.574 123.748 121.223 -0.081 0.000 2.083 86 L HA 0.043 4.388 4.340 0.009 0.000 0.209 86 L C 2.656 179.431 176.870 -0.159 0.000 1.083 86 L CA 1.394 56.212 54.840 -0.036 0.000 0.752 86 L CB -0.978 41.137 42.059 0.094 0.000 0.899 86 L HN 0.670 nan 8.230 nan 0.000 0.433 87 C N -1.456 117.552 119.300 -0.487 0.000 2.413 87 C HA 0.053 4.518 4.460 0.009 0.000 0.292 87 C C 2.718 177.492 174.990 -0.360 0.000 1.435 87 C CA 0.168 58.596 59.018 -0.983 0.000 1.791 87 C CB -2.280 24.698 27.740 -1.270 0.000 1.784 87 C HN 0.558 nan 8.230 nan 0.000 0.548 88 A N -0.052 122.694 122.820 -0.124 0.000 2.066 88 A HA -0.035 4.291 4.320 0.009 0.000 0.218 88 A C 2.217 179.794 177.584 -0.013 0.000 1.157 88 A CA 1.100 53.127 52.037 -0.017 0.000 0.670 88 A CB -0.425 18.631 19.000 0.093 0.000 0.804 88 A HN 0.636 nan 8.150 nan 0.000 0.453 89 Q N 0.355 120.146 119.800 -0.015 0.000 2.482 89 Q HA 0.049 4.394 4.340 0.009 0.000 0.209 89 Q C 0.708 176.731 176.000 0.039 0.000 0.961 89 Q CA 0.394 56.211 55.803 0.022 0.000 0.945 89 Q CB -0.449 28.313 28.738 0.039 0.000 1.012 89 Q HN 0.515 nan 8.270 nan 0.000 0.515 90 S N 0.733 116.443 115.700 0.018 0.000 2.528 90 S HA 0.095 4.570 4.470 0.009 0.000 0.277 90 S C 0.816 175.442 174.600 0.044 0.000 1.297 90 S CA -0.207 58.029 58.200 0.061 0.000 1.052 90 S CB 0.643 63.889 63.200 0.076 0.000 0.917 90 S HN 0.122 nan 8.310 nan 0.000 0.492 91 Q N 2.652 122.483 119.800 0.052 0.000 2.189 91 Q HA 0.237 4.582 4.340 0.009 0.000 0.223 91 Q C -0.111 175.910 176.000 0.034 0.000 0.828 91 Q CA 0.098 55.925 55.803 0.039 0.000 0.967 91 Q CB 0.743 29.507 28.738 0.044 0.000 1.139 91 Q HN 0.772 nan 8.270 nan 0.000 0.497 92 Q N 1.090 120.914 119.800 0.040 0.000 2.321 92 Q HA 0.226 4.572 4.340 0.009 0.000 0.270 92 Q C -1.438 174.584 176.000 0.037 0.000 1.032 92 Q CA -0.440 55.381 55.803 0.031 0.000 0.784 92 Q CB 1.611 30.363 28.738 0.022 0.000 1.264 92 Q HN -0.055 nan 8.270 nan 0.000 0.448 93 D N 2.069 122.486 120.400 0.028 0.000 2.302 93 D HA 0.314 4.959 4.640 0.009 0.000 0.248 93 D C 0.265 176.582 176.300 0.028 0.000 1.094 93 D CA 0.156 54.174 54.000 0.031 0.000 0.897 93 D CB 1.539 42.353 40.800 0.023 0.000 1.200 93 D HN 0.692 nan 8.370 nan 0.000 0.429 94 G N 0.858 109.680 108.800 0.037 0.000 2.531 94 G HA2 0.344 4.309 3.960 0.009 0.000 0.253 94 G HA3 0.344 4.309 3.960 0.009 0.000 0.253 94 G C -1.638 173.279 174.900 0.028 0.000 1.439 94 G CA -0.467 44.651 45.100 0.030 0.000 1.056 94 G HN 0.399 nan 8.290 nan 0.000 0.555 95 P HA 0.267 nan 4.420 nan 0.000 0.275 95 P C -0.080 177.238 177.300 0.030 0.000 1.310 95 P CA -0.226 62.892 63.100 0.030 0.000 0.904 95 P CB 0.274 31.995 31.700 0.034 0.000 1.381 96 C N 0.923 120.243 119.300 0.034 0.000 2.459 96 C HA 0.662 5.127 4.460 0.009 0.000 0.374 96 C C 1.094 176.099 174.990 0.025 0.000 1.241 96 C CA 0.089 59.126 59.018 0.031 0.000 2.352 96 C CB 0.960 28.722 27.740 0.036 0.000 2.490 96 C HN 0.365 nan 8.230 nan 0.000 0.583 97 T N -1.228 113.338 114.554 0.020 0.000 2.831 97 T HA 0.456 4.812 4.350 0.009 0.000 0.287 97 T C -2.286 172.421 174.700 0.013 0.000 1.070 97 T CA -1.145 60.964 62.100 0.015 0.000 1.010 97 T CB 0.907 69.782 68.868 0.012 0.000 1.264 97 T HN 0.274 nan 8.240 nan 0.000 0.532 98 P HA 0.047 nan 4.420 nan 0.000 0.218 98 P C 1.609 178.913 177.300 0.006 0.000 1.148 98 P CA 0.735 63.839 63.100 0.007 0.000 0.822 98 P CB 0.157 31.860 31.700 0.004 0.000 0.784 99 R N -0.728 119.775 120.500 0.006 0.000 2.093 99 R HA 0.027 4.373 4.340 0.009 0.000 0.224 99 R C 0.840 177.144 176.300 0.006 0.000 1.101 99 R CA 0.865 56.968 56.100 0.005 0.000 0.979 99 R CB 0.160 30.462 30.300 0.005 0.000 0.877 99 R HN 0.208 nan 8.270 nan 0.000 0.441 100 R N -0.201 120.304 120.500 0.008 0.000 2.566 100 R HA 0.125 4.470 4.340 0.009 0.000 0.271 100 R C -1.433 174.875 176.300 0.014 0.000 1.071 100 R CA -0.616 55.489 56.100 0.009 0.000 0.915 100 R CB 0.244 30.550 30.300 0.009 0.000 1.228 100 R HN 0.016 nan 8.270 nan 0.000 0.449 101 C N 4.064 123.372 119.300 0.013 0.000 2.347 101 C HA 0.528 4.993 4.460 0.009 0.000 0.353 101 C C 0.308 175.313 174.990 0.026 0.000 1.273 101 C CA -0.544 58.486 59.018 0.019 0.000 1.861 101 C CB -0.591 27.155 27.740 0.011 0.000 2.420 101 C HN 0.705 nan 8.230 nan 0.000 0.542 102 L N 6.192 127.436 121.223 0.035 0.000 3.110 102 L HA 0.349 4.694 4.340 0.009 0.000 0.266 102 L C 2.009 178.916 176.870 0.061 0.000 1.257 102 L CA 0.737 55.603 54.840 0.044 0.000 1.038 102 L CB -0.147 41.936 42.059 0.041 0.000 1.395 102 L HN 1.054 nan 8.230 nan 0.000 0.566 103 G N -0.416 108.420 108.800 0.061 0.000 2.485 103 G HA2 -0.295 3.670 3.960 0.009 0.000 0.221 103 G HA3 -0.295 3.670 3.960 0.009 0.000 0.221 103 G C 1.487 176.460 174.900 0.123 0.000 1.115 103 G CA 1.226 46.376 45.100 0.082 0.000 0.751 103 G HN 0.529 nan 8.290 nan 0.000 0.567 104 S N -0.350 115.418 115.700 0.114 0.000 2.548 104 S HA 0.328 4.803 4.470 0.009 0.000 0.215 104 S C 0.915 175.617 174.600 0.169 0.000 0.976 104 S CA -0.525 57.764 58.200 0.148 0.000 0.908 104 S CB -0.124 63.135 63.200 0.098 0.000 0.781 104 S HN 0.187 nan 8.310 nan 0.000 0.519 105 L N 2.064 123.372 121.223 0.142 0.000 2.416 105 L HA 0.202 4.547 4.340 0.009 0.000 0.272 105 L C 1.539 178.539 176.870 0.217 0.000 1.161 105 L CA -0.589 54.339 54.840 0.147 0.000 0.845 105 L CB 0.543 42.664 42.059 0.104 0.000 1.119 105 L HN 0.003 nan 8.230 nan 0.000 0.464 106 V N 4.026 124.093 119.914 0.256 0.000 2.237 106 V HA -0.188 3.937 4.120 0.009 0.000 0.245 106 V C 0.951 177.225 176.094 0.300 0.000 1.046 106 V CA 1.312 63.830 62.300 0.364 0.000 1.007 106 V CB -0.294 31.725 31.823 0.326 0.000 0.638 106 V HN 0.510 nan 8.190 nan 0.000 0.445 107 L N 1.307 122.666 121.223 0.227 0.000 2.257 107 L HA 0.391 4.737 4.340 0.009 0.000 0.290 107 L C -2.085 174.867 176.870 0.136 0.000 1.044 107 L CA -1.656 53.322 54.840 0.230 0.000 0.810 107 L CB 0.459 42.622 42.059 0.173 0.000 1.193 107 L HN 0.125 nan 8.230 nan 0.000 0.425 108 P HA 0.354 nan 4.420 nan 0.000 0.272 108 P C -0.452 176.872 177.300 0.041 0.000 1.248 108 P CA -0.359 62.766 63.100 0.042 0.000 0.799 108 P CB 0.588 32.281 31.700 -0.011 0.000 0.997 122 A N 0.144 122.967 122.820 0.005 0.000 1.899 122 A HA -0.385 3.941 4.320 0.009 0.000 0.230 122 A C 1.824 179.409 177.584 0.002 0.000 1.593 122 A CA 3.264 55.304 52.037 0.004 0.000 0.728 122 A CB -1.347 17.653 19.000 0.000 0.000 0.848 122 A HN 0.776 nan 8.150 nan 0.000 0.490 123 E N -1.443 118.757 120.200 0.000 0.000 2.095 123 E HA -0.340 4.015 4.350 0.009 0.000 0.212 123 E C 2.236 178.839 176.600 0.004 0.000 1.044 123 E CA 2.215 58.615 56.400 -0.000 0.000 0.857 123 E CB -0.280 29.420 29.700 0.000 0.000 0.764 123 E HN 0.801 nan 8.360 nan 0.000 0.462 124 Q N 0.552 120.357 119.800 0.008 0.000 2.050 124 Q HA -0.130 4.215 4.340 0.009 0.000 0.202 124 Q C 2.064 178.077 176.000 0.022 0.000 0.980 124 Q CA 1.446 57.257 55.803 0.013 0.000 0.840 124 Q CB -0.371 28.374 28.738 0.011 0.000 0.898 124 Q HN 0.422 nan 8.270 nan 0.000 0.424 125 L N -0.599 120.639 121.223 0.025 0.000 1.994 125 L HA -0.176 4.169 4.340 0.009 0.000 0.208 125 L C 2.044 178.933 176.870 0.031 0.000 1.071 125 L CA 1.072 55.940 54.840 0.046 0.000 0.745 125 L CB -0.363 41.730 42.059 0.058 0.000 0.892 125 L HN 0.364 nan 8.230 nan 0.000 0.431 126 L N -0.009 121.212 121.223 -0.003 0.000 2.021 126 L HA -0.289 4.057 4.340 0.009 0.000 0.215 126 L C 2.971 179.827 176.870 -0.023 0.000 1.074 126 L CA 2.325 57.141 54.840 -0.041 0.000 0.760 126 L CB -0.909 41.129 42.059 -0.036 0.000 0.889 126 L HN 0.477 nan 8.230 nan 0.000 0.433 127 S N -2.023 113.680 115.700 0.005 0.000 2.428 127 S HA -0.161 4.315 4.470 0.009 0.000 0.230 127 S C 1.829 176.459 174.600 0.050 0.000 1.014 127 S CA 0.733 58.946 58.200 0.021 0.000 0.957 127 S CB -0.246 62.965 63.200 0.019 0.000 0.784 127 S HN 0.569 nan 8.310 nan 0.000 0.499 128 Q N 0.662 120.499 119.800 0.061 0.000 2.083 128 Q HA 0.090 4.435 4.340 0.009 0.000 0.198 128 Q C 2.639 178.734 176.000 0.158 0.000 0.969 128 Q CA 1.324 57.187 55.803 0.100 0.000 0.838 128 Q CB -0.450 28.340 28.738 0.087 0.000 0.900 128 Q HN 0.766 nan 8.270 nan 0.000 0.436 129 A N 1.383 124.275 122.820 0.120 0.000 1.858 129 A HA -0.197 4.128 4.320 0.009 0.000 0.216 129 A C 2.028 179.693 177.584 0.135 0.000 1.190 129 A CA 1.255 53.365 52.037 0.122 0.000 0.617 129 A CB -0.502 18.337 19.000 -0.268 0.000 0.827 129 A HN 0.184 nan 8.150 nan 0.000 0.443 130 R N -0.610 119.918 120.500 0.046 0.000 2.113 130 R HA -0.246 4.099 4.340 0.009 0.000 0.244 130 R C 2.074 178.449 176.300 0.125 0.000 1.142 130 R CA 2.069 58.206 56.100 0.061 0.000 0.953 130 R CB -0.531 29.780 30.300 0.020 0.000 0.860 130 R HN 0.738 nan 8.270 nan 0.000 0.438 131 D N -0.368 120.114 120.400 0.137 0.000 2.117 131 D HA -0.208 4.437 4.640 0.009 0.000 0.197 131 D C 1.696 178.124 176.300 0.214 0.000 0.987 131 D CA 1.132 55.225 54.000 0.154 0.000 0.829 131 D CB -0.116 40.767 40.800 0.139 0.000 0.961 131 D HN 0.159 nan 8.370 nan 0.000 0.460 132 F N 1.007 121.047 119.950 0.150 0.000 2.075 132 F HA -0.137 4.394 4.527 0.007 0.000 0.297 132 F C 1.999 177.947 175.800 0.248 0.000 1.113 132 F CA 1.157 59.279 58.000 0.204 0.000 1.218 132 F CB -0.409 38.715 39.000 0.207 0.000 0.984 132 F HN -0.028 nan 8.300 nan 0.000 0.472 133 I N 1.280 121.869 120.570 0.030 0.000 2.185 133 I HA -0.378 3.798 4.170 0.009 0.000 0.246 133 I C 2.069 178.258 176.117 0.121 0.000 1.088 133 I CA 1.447 62.788 61.300 0.069 0.000 1.347 133 I CB -1.777 36.380 38.000 0.262 0.000 1.041 133 I HN 0.312 nan 8.210 nan 0.000 0.415 134 N N 0.739 119.524 118.700 0.141 0.000 2.142 134 N HA -0.178 4.567 4.740 0.009 0.000 0.186 134 N C 1.845 177.317 175.510 -0.063 0.000 1.023 134 N CA 1.039 54.155 53.050 0.110 0.000 0.852 134 N CB -0.345 38.233 38.487 0.152 0.000 0.998 134 N HN 0.537 nan 8.380 nan 0.000 0.424 135 Q N -0.373 119.399 119.800 -0.046 0.000 2.135 135 Q HA -0.188 4.157 4.340 0.009 0.000 0.204 135 Q C 1.773 177.572 176.000 -0.334 0.000 0.981 135 Q CA 1.319 57.101 55.803 -0.036 0.000 0.856 135 Q CB -0.206 28.648 28.738 0.193 0.000 0.902 135 Q HN 0.450 nan 8.270 nan 0.000 0.425 136 Y N -0.126 119.751 120.300 -0.705 0.000 2.109 136 Y HA -0.270 4.284 4.550 0.007 0.000 0.285 136 Y C 1.732 177.122 175.900 -0.850 0.000 1.131 136 Y CA 1.503 58.909 58.100 -1.157 0.000 1.121 136 Y CB -0.632 37.205 38.460 -1.039 0.000 0.987 136 Y HN 0.053 nan 8.280 nan 0.000 0.495 137 Y N -0.322 119.551 120.300 -0.711 0.000 2.315 137 Y HA -0.233 4.322 4.550 0.010 0.000 0.288 137 Y C 3.091 178.624 175.900 -0.612 0.000 1.154 137 Y CA 1.850 59.501 58.100 -0.747 0.000 1.229 137 Y CB -0.814 37.126 38.460 -0.867 0.000 0.980 137 Y HN 0.267 nan 8.280 nan 0.000 0.540 138 S N -0.687 114.786 115.700 -0.378 0.000 2.387 138 S HA -0.169 4.306 4.470 0.009 0.000 0.226 138 S C 2.319 176.759 174.600 -0.267 0.000 1.026 138 S CA 1.258 59.306 58.200 -0.253 0.000 0.972 138 S CB -0.634 62.474 63.200 -0.153 0.000 0.814 138 S HN 0.565 nan 8.310 nan 0.000 0.477 139 S N 1.780 117.245 115.700 -0.392 0.000 2.447 139 S HA -0.031 4.444 4.470 0.009 0.000 0.233 139 S C 1.524 175.932 174.600 -0.321 0.000 1.006 139 S CA 0.942 58.955 58.200 -0.313 0.000 0.957 139 S CB -0.959 61.984 63.200 -0.428 0.000 0.773 139 S HN 0.812 nan 8.310 nan 0.000 0.507 140 I N -2.792 117.499 120.570 -0.464 0.000 3.891 140 I HA 0.408 4.584 4.170 0.009 0.000 0.331 140 I C -0.024 175.960 176.117 -0.222 0.000 1.406 140 I CA -0.638 60.448 61.300 -0.356 0.000 1.139 140 I CB -0.149 37.550 38.000 -0.501 0.000 1.056 140 I HN -0.115 nan 8.210 nan 0.000 0.399 141 K N 1.151 121.438 120.400 -0.188 0.000 3.020 141 K HA -0.182 4.143 4.320 0.009 0.000 0.266 141 K C -0.028 176.511 176.600 -0.101 0.000 1.067 141 K CA 0.611 56.826 56.287 -0.120 0.000 0.780 141 K CB -1.543 30.907 32.500 -0.083 0.000 1.220 141 K HN 0.540 nan 8.250 nan 0.000 0.483 142 R N 0.660 121.090 120.500 -0.117 0.000 2.935 142 R HA 0.115 4.460 4.340 0.009 0.000 0.354 142 R C 0.184 176.439 176.300 -0.076 0.000 1.206 142 R CA -0.155 55.914 56.100 -0.052 0.000 1.082 142 R CB 0.770 31.084 30.300 0.023 0.000 1.431 142 R HN 0.178 nan 8.270 nan 0.000 0.582 143 S N -0.550 115.083 115.700 -0.112 0.000 2.548 143 S HA 0.368 4.843 4.470 0.009 0.000 0.277 143 S C 1.246 175.858 174.600 0.019 0.000 1.315 143 S CA 0.971 59.101 58.200 -0.117 0.000 1.050 143 S CB 0.658 63.802 63.200 -0.094 0.000 0.918 143 S HN 0.751 nan 8.310 nan 0.000 0.497 144 G N 2.760 111.674 108.800 0.189 0.000 2.159 144 G HA2 -0.252 3.713 3.960 0.009 0.000 0.256 144 G HA3 -0.252 3.713 3.960 0.009 0.000 0.256 144 G C 0.255 175.181 174.900 0.043 0.000 0.977 144 G CA 0.428 45.593 45.100 0.109 0.000 0.652 144 G HN 1.237 nan 8.290 nan 0.000 0.531 145 S N -0.285 115.443 115.700 0.046 0.000 2.632 145 S HA 0.459 4.935 4.470 0.009 0.000 0.267 145 S C 1.682 176.243 174.600 -0.064 0.000 1.276 145 S CA 0.739 58.929 58.200 -0.018 0.000 0.998 145 S CB 1.237 64.422 63.200 -0.025 0.000 0.953 145 S HN 0.712 nan 8.310 nan 0.000 0.547 146 Q N 2.128 121.890 119.800 -0.062 0.000 2.389 146 Q HA 0.172 4.517 4.340 0.009 0.000 0.204 146 Q C 1.737 177.684 176.000 -0.087 0.000 0.944 146 Q CA 1.380 57.137 55.803 -0.076 0.000 0.908 146 Q CB -1.088 27.622 28.738 -0.047 0.000 1.002 146 Q HN 0.706 nan 8.270 nan 0.000 0.493 147 A N 1.203 123.974 122.820 -0.080 0.000 1.897 147 A HA -0.184 4.142 4.320 0.009 0.000 0.215 147 A C 2.126 179.535 177.584 -0.291 0.000 1.181 147 A CA 1.317 53.318 52.037 -0.060 0.000 0.620 147 A CB -1.146 17.899 19.000 0.075 0.000 0.821 147 A HN 0.666 nan 8.150 nan 0.000 0.443 148 H N -0.572 118.025 119.070 -0.789 0.000 2.289 148 H HA -0.170 4.392 4.556 0.009 0.000 0.296 148 H C 1.957 176.963 175.328 -0.537 0.000 1.091 148 H CA 1.579 56.885 56.048 -1.237 0.000 1.274 148 H CB 0.144 29.406 29.762 -0.833 0.000 1.364 148 H HN 0.403 nan 8.280 nan 0.000 0.490 149 E N 0.652 120.636 120.200 -0.360 0.000 2.047 149 E HA -0.153 4.203 4.350 0.009 0.000 0.191 149 E C 2.210 178.705 176.600 -0.174 0.000 0.987 149 E CA 0.679 56.898 56.400 -0.301 0.000 0.799 149 E CB -0.275 29.298 29.700 -0.213 0.000 0.752 149 E HN 0.629 nan 8.360 nan 0.000 0.449 150 E N 0.394 120.524 120.200 -0.115 0.000 2.085 150 E HA -0.222 4.134 4.350 0.009 0.000 0.194 150 E C 2.166 178.757 176.600 -0.015 0.000 0.994 150 E CA 0.924 57.295 56.400 -0.048 0.000 0.801 150 E CB 0.054 29.745 29.700 -0.015 0.000 0.743 150 E HN -0.094 nan 8.360 nan 0.000 0.453 151 R N 0.954 121.455 120.500 0.002 0.000 2.081 151 R HA -0.107 4.238 4.340 0.009 0.000 0.235 151 R C 2.241 178.578 176.300 0.062 0.000 1.131 151 R CA 1.209 57.369 56.100 0.101 0.000 0.960 151 R CB -0.746 29.719 30.300 0.275 0.000 0.856 151 R HN 0.170 nan 8.270 nan 0.000 0.436 152 L N 0.235 121.452 121.223 -0.010 0.000 2.042 152 L HA -0.246 4.100 4.340 0.009 0.000 0.210 152 L C 2.593 179.432 176.870 -0.052 0.000 1.076 152 L CA 1.847 56.661 54.840 -0.044 0.000 0.749 152 L CB -0.534 41.452 42.059 -0.122 0.000 0.893 152 L HN 0.322 nan 8.230 nan 0.000 0.432 153 Q N -0.352 119.418 119.800 -0.051 0.000 2.050 153 Q HA -0.274 4.071 4.340 0.009 0.000 0.202 153 Q C 2.183 178.173 176.000 -0.017 0.000 0.980 153 Q CA 1.780 57.560 55.803 -0.038 0.000 0.840 153 Q CB -0.188 28.529 28.738 -0.035 0.000 0.898 153 Q HN 0.485 nan 8.270 nan 0.000 0.424 154 E N 0.253 120.457 120.200 0.007 0.000 2.085 154 E HA -0.199 4.156 4.350 0.009 0.000 0.194 154 E C 1.956 178.577 176.600 0.035 0.000 0.994 154 E CA 1.277 57.699 56.400 0.036 0.000 0.801 154 E CB 0.143 29.884 29.700 0.068 0.000 0.743 154 E HN 0.134 nan 8.360 nan 0.000 0.453 155 V N 1.871 121.787 119.914 0.003 0.000 2.358 155 V HA -0.249 3.876 4.120 0.009 0.000 0.246 155 V C 2.327 178.344 176.094 -0.129 0.000 1.047 155 V CA 2.263 64.511 62.300 -0.087 0.000 1.035 155 V CB -0.629 31.047 31.823 -0.245 0.000 0.658 155 V HN 0.486 nan 8.190 nan 0.000 0.452 156 E N 0.731 120.871 120.200 -0.100 0.000 2.427 156 E HA -0.038 4.318 4.350 0.009 0.000 0.196 156 E C 1.930 178.507 176.600 -0.038 0.000 1.028 156 E CA 1.044 57.394 56.400 -0.082 0.000 0.864 156 E CB -0.123 29.533 29.700 -0.072 0.000 0.813 156 E HN 0.519 nan 8.360 nan 0.000 0.514 157 A N 1.896 124.706 122.820 -0.017 0.000 1.903 157 A HA -0.088 4.237 4.320 0.009 0.000 0.213 157 A C 2.062 179.656 177.584 0.017 0.000 1.185 157 A CA 0.823 52.861 52.037 0.002 0.000 0.628 157 A CB -0.276 18.731 19.000 0.011 0.000 0.830 157 A HN 0.185 nan 8.150 nan 0.000 0.446 158 E N -0.084 120.137 120.200 0.034 0.000 2.171 158 E HA -0.157 4.198 4.350 0.009 0.000 0.197 158 E C 1.922 178.549 176.600 0.045 0.000 0.997 158 E CA 1.623 58.059 56.400 0.060 0.000 0.810 158 E CB -0.134 29.636 29.700 0.117 0.000 0.738 158 E HN 0.445 nan 8.360 nan 0.000 0.467 159 V N 0.552 120.482 119.914 0.027 0.000 2.500 159 V HA -0.063 4.063 4.120 0.009 0.000 0.243 159 V C 2.233 178.334 176.094 0.012 0.000 1.039 159 V CA 1.258 63.573 62.300 0.025 0.000 1.053 159 V CB -0.372 31.456 31.823 0.008 0.000 0.695 159 V HN 0.208 nan 8.190 nan 0.000 0.463 160 A N 0.767 123.589 122.820 0.003 0.000 2.178 160 A HA -0.134 4.191 4.320 0.009 0.000 0.218 160 A C 2.260 179.849 177.584 0.007 0.000 1.157 160 A CA 2.049 54.087 52.037 0.002 0.000 0.689 160 A CB -0.349 18.649 19.000 -0.002 0.000 0.787 160 A HN 0.676 nan 8.150 nan 0.000 0.465 161 S N -2.713 112.995 115.700 0.013 0.000 2.554 161 S HA 0.012 4.487 4.470 0.009 0.000 0.227 161 S C 1.505 176.115 174.600 0.017 0.000 1.050 161 S CA 0.836 59.045 58.200 0.015 0.000 0.927 161 S CB -0.211 63.000 63.200 0.019 0.000 0.859 161 S HN 0.705 nan 8.310 nan 0.000 0.494 162 T N -2.458 112.106 114.554 0.016 0.000 2.964 162 T HA 0.510 4.865 4.350 0.009 0.000 0.249 162 T C 1.565 176.268 174.700 0.005 0.000 1.000 162 T CA 0.831 62.938 62.100 0.012 0.000 0.992 162 T CB 0.035 68.908 68.868 0.008 0.000 1.087 162 T HN 1.255 nan 8.240 nan 0.000 0.489 163 G N 0.400 109.206 108.800 0.010 0.000 2.132 163 G HA2 -0.052 3.913 3.960 0.009 0.000 0.228 163 G HA3 -0.052 3.913 3.960 0.009 0.000 0.228 163 G C 0.096 175.004 174.900 0.013 0.000 1.000 163 G CA 0.377 45.483 45.100 0.009 0.000 0.693 163 G HN 1.065 nan 8.290 nan 0.000 0.515 164 T N -1.576 112.993 114.554 0.025 0.000 2.686 164 T HA 0.623 4.978 4.350 0.009 0.000 0.308 164 T C -1.434 173.318 174.700 0.087 0.000 1.667 164 T CA 0.362 62.481 62.100 0.032 0.000 0.987 164 T CB 1.166 69.980 68.868 -0.090 0.000 1.652 164 T HN 1.668 nan 8.240 nan 0.000 0.496 165 Y N -0.331 119.854 120.300 -0.191 0.000 2.728 165 Y HA 0.851 5.407 4.550 0.009 0.000 0.330 165 Y C -1.160 174.554 175.900 -0.310 0.000 1.234 165 Y CA -1.175 56.806 58.100 -0.199 0.000 1.070 165 Y CB 0.774 39.208 38.460 -0.044 0.000 1.300 165 Y HN 0.657 nan 8.280 nan 0.000 0.467 166 H N 0.979 120.027 119.070 -0.037 0.000 2.569 166 H HA 0.579 5.141 4.556 0.010 0.000 0.357 166 H C -1.216 174.093 175.328 -0.032 0.000 1.153 166 H CA -0.940 55.040 56.048 -0.112 0.000 1.193 166 H CB 2.417 32.180 29.762 0.002 0.000 1.602 166 H HN 0.659 nan 8.280 nan 0.000 0.523 167 L N 2.641 123.919 121.223 0.091 0.000 2.275 167 L HA 0.377 4.722 4.340 0.009 0.000 0.288 167 L C 0.951 177.873 176.870 0.087 0.000 1.046 167 L CA -0.565 54.344 54.840 0.115 0.000 0.805 167 L CB 1.033 43.133 42.059 0.069 0.000 1.193 167 L HN 0.340 nan 8.230 nan 0.000 0.426 168 R N 1.515 122.061 120.500 0.077 0.000 2.811 168 R HA -0.069 4.276 4.340 0.009 0.000 0.265 168 R C 1.210 177.498 176.300 -0.019 0.000 1.026 168 R CA 0.002 56.116 56.100 0.023 0.000 1.142 168 R CB 0.542 30.849 30.300 0.011 0.000 1.027 168 R HN 0.666 nan 8.270 nan 0.000 0.465 169 E N 0.972 121.158 120.200 -0.024 0.000 2.033 169 E HA -0.281 4.075 4.350 0.009 0.000 0.199 169 E C 1.750 178.325 176.600 -0.042 0.000 1.011 169 E CA 2.336 58.714 56.400 -0.036 0.000 0.815 169 E CB 0.034 29.720 29.700 -0.023 0.000 0.755 169 E HN 0.697 nan 8.360 nan 0.000 0.451 170 S N -0.002 115.673 115.700 -0.043 0.000 2.382 170 S HA -0.184 4.291 4.470 0.009 0.000 0.228 170 S C 1.818 176.365 174.600 -0.088 0.000 1.027 170 S CA 1.333 59.520 58.200 -0.021 0.000 0.991 170 S CB -0.331 62.892 63.200 0.039 0.000 0.823 170 S HN 0.314 nan 8.310 nan 0.000 0.469 171 E N 0.987 121.018 120.200 -0.282 0.000 2.077 171 E HA -0.086 4.269 4.350 0.009 0.000 0.193 171 E C 2.057 178.743 176.600 0.144 0.000 0.989 171 E CA 1.246 57.486 56.400 -0.268 0.000 0.800 171 E CB -0.358 29.224 29.700 -0.196 0.000 0.746 171 E HN 0.499 nan 8.360 nan 0.000 0.452 172 L N 0.588 121.824 121.223 0.022 0.000 2.083 172 L HA -0.172 4.173 4.340 0.009 0.000 0.209 172 L C 2.148 178.992 176.870 -0.043 0.000 1.083 172 L CA 1.298 56.102 54.840 -0.060 0.000 0.752 172 L CB -0.142 41.827 42.059 -0.149 0.000 0.899 172 L HN -0.045 nan 8.230 nan 0.000 0.433 173 V N -0.553 119.365 119.914 0.006 0.000 2.307 173 V HA -0.291 3.834 4.120 0.009 0.000 0.245 173 V C 2.297 178.467 176.094 0.127 0.000 1.045 173 V CA 2.123 64.438 62.300 0.025 0.000 1.024 173 V CB -0.922 30.919 31.823 0.030 0.000 0.651 173 V HN 0.587 nan 8.190 nan 0.000 0.449 174 F N 2.021 122.030 119.950 0.099 0.000 2.234 174 F HA 0.016 4.547 4.527 0.007 0.000 0.299 174 F C 2.086 178.031 175.800 0.242 0.000 1.087 174 F CA 1.507 59.628 58.000 0.202 0.000 1.340 174 F CB -0.644 38.530 39.000 0.289 0.000 1.031 174 F HN 0.117 nan 8.300 nan 0.000 0.500 175 G N -0.199 108.701 108.800 0.166 0.000 2.394 175 G HA2 -0.150 3.815 3.960 0.009 0.000 0.215 175 G HA3 -0.150 3.815 3.960 0.009 0.000 0.215 175 G C 1.808 176.584 174.900 -0.207 0.000 1.165 175 G CA 0.644 45.727 45.100 -0.028 0.000 0.784 175 G HN 0.569 nan 8.290 nan 0.000 0.535 176 A N 0.947 123.665 122.820 -0.170 0.000 1.898 176 A HA 0.049 4.374 4.320 0.009 0.000 0.216 176 A C 2.293 179.878 177.584 0.002 0.000 1.181 176 A CA 1.830 53.773 52.037 -0.155 0.000 0.620 176 A CB -0.310 18.613 19.000 -0.128 0.000 0.819 176 A HN 0.358 nan 8.150 nan 0.000 0.442 177 K N -0.908 119.521 120.400 0.049 0.000 2.032 177 K HA -0.226 4.099 4.320 0.009 0.000 0.209 177 K C 2.337 179.010 176.600 0.122 0.000 1.048 177 K CA 1.721 58.137 56.287 0.215 0.000 0.927 177 K CB -0.172 32.482 32.500 0.256 0.000 0.712 177 K HN 0.428 nan 8.250 nan 0.000 0.441 178 Q N 0.638 120.328 119.800 -0.183 0.000 2.124 178 Q HA -0.100 4.246 4.340 0.009 0.000 0.202 178 Q C 1.908 177.798 176.000 -0.183 0.000 0.977 178 Q CA 1.817 57.429 55.803 -0.318 0.000 0.850 178 Q CB -0.254 28.160 28.738 -0.540 0.000 0.901 178 Q HN 0.364 nan 8.270 nan 0.000 0.429 179 A N -0.715 122.000 122.820 -0.175 0.000 1.933 179 A HA -0.182 4.143 4.320 0.009 0.000 0.218 179 A C 1.775 179.440 177.584 0.136 0.000 1.175 179 A CA 1.408 53.314 52.037 -0.217 0.000 0.628 179 A CB -1.065 17.516 19.000 -0.698 0.000 0.814 179 A HN 0.691 nan 8.150 nan 0.000 0.444 180 W N 0.887 122.246 121.300 0.099 0.000 2.381 180 W HA -0.134 4.530 4.660 0.007 0.000 0.321 180 W C 2.321 178.834 176.519 -0.011 0.000 1.196 180 W CA 1.532 58.947 57.345 0.116 0.000 1.304 180 W CB -0.997 28.507 29.460 0.074 0.000 1.166 180 W HN 0.358 nan 8.180 nan 0.000 0.473 181 R N 0.330 120.788 120.500 -0.071 0.000 2.178 181 R HA -0.268 4.077 4.340 0.009 0.000 0.257 181 R C 1.535 177.694 176.300 -0.235 0.000 1.163 181 R CA 2.173 58.025 56.100 -0.412 0.000 0.981 181 R CB -0.702 29.099 30.300 -0.832 0.000 0.878 181 R HN 0.160 nan 8.270 nan 0.000 0.454 182 N N -0.118 118.502 118.700 -0.132 0.000 2.461 182 N HA 0.038 4.783 4.740 0.009 0.000 0.188 182 N C -0.514 174.968 175.510 -0.047 0.000 1.134 182 N CA 0.729 53.721 53.050 -0.096 0.000 0.878 182 N CB 0.497 38.930 38.487 -0.090 0.000 0.972 182 N HN 0.218 nan 8.380 nan 0.000 0.456 183 A N 1.515 124.353 122.820 0.029 0.000 2.410 183 A HA 0.310 4.636 4.320 0.009 0.000 0.292 183 A C -1.357 176.214 177.584 -0.022 0.000 1.232 183 A CA -1.019 51.036 52.037 0.031 0.000 0.893 183 A CB 0.488 19.558 19.000 0.117 0.000 1.131 183 A HN -0.008 nan 8.150 nan 0.000 0.530 184 P HA -0.073 nan 4.420 nan 0.000 0.221 184 P C 1.044 178.289 177.300 -0.092 0.000 1.150 184 P CA 1.071 64.112 63.100 -0.099 0.000 0.800 184 P CB 0.196 31.804 31.700 -0.153 0.000 0.787 185 R N -2.094 118.322 120.500 -0.141 0.000 2.334 185 R HA 0.162 4.507 4.340 0.009 0.000 0.216 185 R C 0.196 176.477 176.300 -0.033 0.000 0.905 185 R CA -0.132 55.889 56.100 -0.132 0.000 1.064 185 R CB -0.355 29.695 30.300 -0.416 0.000 1.046 185 R HN 0.167 nan 8.270 nan 0.000 0.508 186 C N 0.600 119.883 119.300 -0.028 0.000 2.246 186 C HA 0.225 4.690 4.460 0.009 0.000 0.329 186 C C 1.928 176.869 174.990 -0.082 0.000 1.221 186 C CA -0.680 58.349 59.018 0.018 0.000 1.697 186 C CB 0.356 28.183 27.740 0.145 0.000 2.312 186 C HN 0.288 nan 8.230 nan 0.000 0.509 187 V N 5.949 125.778 119.914 -0.142 0.000 3.380 187 V HA 0.150 4.276 4.120 0.009 0.000 0.268 187 V C 1.839 177.941 176.094 0.014 0.000 1.168 187 V CA 2.184 64.315 62.300 -0.282 0.000 1.156 187 V CB -0.279 31.410 31.823 -0.224 0.000 0.785 187 V HN 1.081 nan 8.190 nan 0.000 0.487 188 G N -0.735 108.120 108.800 0.091 0.000 3.448 188 G HA2 0.068 4.033 3.960 0.009 0.000 0.261 188 G HA3 0.068 4.033 3.960 0.009 0.000 0.261 188 G C 1.231 176.181 174.900 0.083 0.000 1.173 188 G CA -0.342 44.840 45.100 0.137 0.000 0.835 188 G HN 0.437 nan 8.290 nan 0.000 0.534 189 R N -0.272 120.173 120.500 -0.091 0.000 2.236 189 R HA 0.178 4.523 4.340 0.009 0.000 0.208 189 R C 2.067 178.032 176.300 -0.559 0.000 1.036 189 R CA 0.045 55.819 56.100 -0.543 0.000 1.001 189 R CB -0.127 29.768 30.300 -0.676 0.000 0.896 189 R HN 0.423 nan 8.270 nan 0.000 0.464 190 I N 1.311 121.698 120.570 -0.305 0.000 2.502 190 I HA -0.300 3.875 4.170 0.009 0.000 0.258 190 I C 1.388 177.466 176.117 -0.064 0.000 1.172 190 I CA 1.351 62.664 61.300 0.021 0.000 1.430 190 I CB 0.155 38.225 38.000 0.116 0.000 1.086 190 I HN 0.211 nan 8.210 nan 0.000 0.440 191 Q N 0.359 120.055 119.800 -0.173 0.000 2.451 191 Q HA -0.133 4.213 4.340 0.009 0.000 0.206 191 Q C 1.712 177.347 176.000 -0.609 0.000 0.947 191 Q CA 0.775 56.456 55.803 -0.202 0.000 0.937 191 Q CB -0.336 28.442 28.738 0.065 0.000 1.025 191 Q HN 0.800 nan 8.270 nan 0.000 0.511 192 W N 0.355 121.000 121.300 -1.091 0.000 2.292 192 W HA -0.185 4.481 4.660 0.012 0.000 0.304 192 W C 1.301 177.537 176.519 -0.472 0.000 1.228 192 W CA 1.272 57.806 57.345 -1.351 0.000 1.241 192 W CB -1.506 27.377 29.460 -0.962 0.000 1.142 192 W HN 0.119 nan 8.180 nan 0.000 0.520 193 G N 1.181 109.228 108.800 -1.256 0.000 2.679 193 G HA2 -0.199 3.766 3.960 0.009 0.000 0.212 193 G HA3 -0.199 3.766 3.960 0.009 0.000 0.212 193 G C 0.891 175.547 174.900 -0.408 0.000 1.137 193 G CA 0.290 44.744 45.100 -1.076 0.000 0.787 193 G HN 0.308 nan 8.290 nan 0.000 0.534 194 K N 0.028 120.306 120.400 -0.203 0.000 2.499 194 K HA 0.517 4.843 4.320 0.009 0.000 0.215 194 K C -1.605 175.091 176.600 0.161 0.000 1.041 194 K CA -0.692 55.592 56.287 -0.004 0.000 1.031 194 K CB 0.297 32.824 32.500 0.046 0.000 1.479 194 K HN 0.056 nan 8.250 nan 0.000 0.518 195 L N 2.633 123.931 121.223 0.124 0.000 2.438 195 L HA 0.384 4.729 4.340 0.009 0.000 0.270 195 L C -1.368 175.484 176.870 -0.030 0.000 0.972 195 L CA -0.365 54.562 54.840 0.144 0.000 0.831 195 L CB 1.998 44.215 42.059 0.263 0.000 1.273 195 L HN 0.409 nan 8.230 nan 0.000 0.405 196 Q N 3.253 122.970 119.800 -0.138 0.000 2.360 196 Q HA 0.532 4.877 4.340 0.009 0.000 0.254 196 Q C -1.562 174.010 176.000 -0.713 0.000 0.975 196 Q CA -0.204 55.353 55.803 -0.409 0.000 0.912 196 Q CB 1.272 29.742 28.738 -0.446 0.000 1.212 196 Q HN 0.520 nan 8.270 nan 0.000 0.452 197 V N 6.248 125.801 119.914 -0.602 0.000 2.350 197 V HA 0.380 4.505 4.120 0.009 0.000 0.276 197 V C -0.688 175.045 176.094 -0.602 0.000 1.028 197 V CA -0.502 61.494 62.300 -0.506 0.000 0.860 197 V CB 0.129 31.800 31.823 -0.253 0.000 0.990 197 V HN 0.610 nan 8.190 nan 0.000 0.453 198 F N 2.627 122.448 119.950 -0.215 0.000 2.391 198 F HA 0.356 4.885 4.527 0.003 0.000 0.359 198 F C 0.631 176.236 175.800 -0.324 0.000 1.122 198 F CA -1.117 56.736 58.000 -0.245 0.000 1.120 198 F CB 0.706 39.569 39.000 -0.229 0.000 1.142 198 F HN 0.384 nan 8.300 nan 0.000 0.483 199 D N 3.212 123.540 120.400 -0.121 0.000 2.359 199 D HA 0.320 4.966 4.640 0.009 0.000 0.250 199 D C 0.202 176.279 176.300 -0.372 0.000 1.264 199 D CA 0.226 54.087 54.000 -0.231 0.000 0.911 199 D CB 1.034 41.748 40.800 -0.144 0.000 1.056 199 D HN 0.649 nan 8.370 nan 0.000 0.499 200 A N 4.605 127.034 122.820 -0.652 0.000 2.713 200 A HA 0.147 4.472 4.320 0.009 0.000 0.296 200 A C 1.586 178.876 177.584 -0.491 0.000 1.255 200 A CA -0.392 51.044 52.037 -1.001 0.000 0.955 200 A CB 0.039 17.866 19.000 -1.954 0.000 1.149 200 A HN 0.514 nan 8.150 nan 0.000 0.538 201 R N 0.540 120.872 120.500 -0.280 0.000 2.328 201 R HA -0.088 4.257 4.340 0.009 0.000 0.207 201 R C 0.757 177.012 176.300 -0.075 0.000 1.056 201 R CA 1.190 57.214 56.100 -0.127 0.000 1.016 201 R CB 0.045 30.318 30.300 -0.045 0.000 0.872 201 R HN 0.687 nan 8.270 nan 0.000 0.471 202 D N -0.595 119.774 120.400 -0.052 0.000 2.349 202 D HA -0.072 4.574 4.640 0.009 0.000 0.215 202 D C 0.541 176.901 176.300 0.100 0.000 1.016 202 D CA -0.184 53.836 54.000 0.034 0.000 0.870 202 D CB -0.550 40.287 40.800 0.062 0.000 0.917 202 D HN -0.010 nan 8.370 nan 0.000 0.524 203 C N 1.499 120.856 119.300 0.095 0.000 2.634 203 C HA 0.328 4.793 4.460 0.009 0.000 0.417 203 C C 1.611 176.732 174.990 0.218 0.000 1.334 203 C CA 0.734 59.885 59.018 0.222 0.000 1.829 203 C CB -0.320 27.606 27.740 0.310 0.000 2.665 203 C HN 0.499 nan 8.230 nan 0.000 0.614 204 S N 1.771 117.658 115.700 0.312 0.000 2.817 204 S HA 0.298 4.773 4.470 0.009 0.000 0.262 204 S C -0.140 174.641 174.600 0.302 0.000 1.051 204 S CA 0.275 58.689 58.200 0.357 0.000 1.185 204 S CB -0.303 63.028 63.200 0.219 0.000 1.152 204 S HN 1.349 nan 8.310 nan 0.000 0.653 205 S N -0.235 115.644 115.700 0.298 0.000 2.596 205 S HA 0.826 5.301 4.470 0.009 0.000 0.270 205 S C 0.800 175.509 174.600 0.181 0.000 1.155 205 S CA -0.271 58.045 58.200 0.193 0.000 0.827 205 S CB 0.968 64.248 63.200 0.133 0.000 1.130 205 S HN 0.573 nan 8.310 nan 0.000 0.467 206 A N 0.837 123.737 122.820 0.132 0.000 1.898 206 A HA -0.041 4.284 4.320 0.009 0.000 0.216 206 A C 2.129 179.734 177.584 0.035 0.000 1.181 206 A CA 2.116 54.228 52.037 0.124 0.000 0.620 206 A CB -1.272 17.844 19.000 0.195 0.000 0.819 206 A HN 0.948 nan 8.150 nan 0.000 0.442 207 Q N 0.416 120.300 119.800 0.140 0.000 2.096 207 Q HA -0.222 4.123 4.340 0.009 0.000 0.204 207 Q C 1.857 177.843 176.000 -0.024 0.000 0.982 207 Q CA 2.492 58.323 55.803 0.046 0.000 0.850 207 Q CB -0.463 28.378 28.738 0.172 0.000 0.901 207 Q HN 0.741 nan 8.270 nan 0.000 0.422 208 E N -0.894 119.338 120.200 0.054 0.000 2.150 208 E HA -0.156 4.200 4.350 0.009 0.000 0.193 208 E C 1.914 178.608 176.600 0.158 0.000 0.985 208 E CA 1.083 57.531 56.400 0.080 0.000 0.814 208 E CB -0.103 29.683 29.700 0.143 0.000 0.752 208 E HN 0.485 nan 8.360 nan 0.000 0.466 209 M N -0.223 119.448 119.600 0.118 0.000 2.159 209 M HA -0.140 4.345 4.480 0.009 0.000 0.263 209 M C 2.018 178.361 176.300 0.071 0.000 1.063 209 M CA 1.185 56.524 55.300 0.065 0.000 1.110 209 M CB -0.242 32.198 32.600 -0.267 0.000 1.374 209 M HN 0.200 nan 8.290 nan 0.000 0.411 210 F N 1.065 120.812 119.950 -0.338 0.000 2.102 210 F HA -0.186 4.347 4.527 0.011 0.000 0.298 210 F C 2.291 177.967 175.800 -0.207 0.000 1.105 210 F CA 1.865 59.596 58.000 -0.448 0.000 1.239 210 F CB -0.790 37.560 39.000 -1.084 0.000 0.991 210 F HN 0.037 nan 8.300 nan 0.000 0.474 211 T N -0.363 114.030 114.554 -0.268 0.000 2.665 211 T HA -0.269 4.086 4.350 0.009 0.000 0.268 211 T C 1.736 176.276 174.700 -0.267 0.000 1.035 211 T CA 2.030 63.935 62.100 -0.325 0.000 1.151 211 T CB -0.819 67.893 68.868 -0.259 0.000 0.862 211 T HN 0.281 nan 8.240 nan 0.000 0.438 212 Y N 0.831 121.087 120.300 -0.075 0.000 2.224 212 Y HA 0.020 4.574 4.550 0.007 0.000 0.289 212 Y C 2.186 178.058 175.900 -0.048 0.000 1.146 212 Y CA 0.265 58.337 58.100 -0.047 0.000 1.182 212 Y CB -0.525 37.985 38.460 0.085 0.000 0.983 212 Y HN 0.225 nan 8.280 nan 0.000 0.524 213 I N -1.942 118.709 120.570 0.135 0.000 2.286 213 I HA -0.308 3.867 4.170 0.009 0.000 0.245 213 I C 2.288 178.354 176.117 -0.085 0.000 1.104 213 I CA 0.736 62.063 61.300 0.045 0.000 1.397 213 I CB -0.447 37.573 38.000 0.034 0.000 1.072 213 I HN 0.214 nan 8.210 nan 0.000 0.417 214 C N 0.888 120.009 119.300 -0.298 0.000 2.413 214 C HA -0.153 4.313 4.460 0.009 0.000 0.276 214 C C 2.634 177.525 174.990 -0.165 0.000 1.236 214 C CA 0.935 59.761 59.018 -0.321 0.000 1.735 214 C CB -1.400 25.999 27.740 -0.569 0.000 2.031 214 C HN 0.548 nan 8.230 nan 0.000 0.474 215 N N -0.077 118.517 118.700 -0.177 0.000 2.149 215 N HA -0.153 4.592 4.740 0.009 0.000 0.188 215 N C 1.402 176.825 175.510 -0.144 0.000 1.019 215 N CA 1.542 54.485 53.050 -0.178 0.000 0.857 215 N CB -0.850 37.482 38.487 -0.259 0.000 0.997 215 N HN 0.759 nan 8.380 nan 0.000 0.426 216 H N 0.446 119.403 119.070 -0.188 0.000 2.290 216 H HA 0.016 4.578 4.556 0.011 0.000 0.298 216 H C 2.114 177.477 175.328 0.058 0.000 1.087 216 H CA 1.733 57.743 56.048 -0.063 0.000 1.291 216 H CB -0.133 29.642 29.762 0.021 0.000 1.369 216 H HN 0.086 nan 8.280 nan 0.000 0.492 217 I N 0.726 121.449 120.570 0.256 0.000 2.118 217 I HA -0.320 3.855 4.170 0.009 0.000 0.241 217 I C 2.556 178.736 176.117 0.105 0.000 1.070 217 I CA 1.567 62.970 61.300 0.171 0.000 1.327 217 I CB -0.302 37.731 38.000 0.054 0.000 1.034 217 I HN 0.311 nan 8.210 nan 0.000 0.405 218 K N -0.122 120.307 120.400 0.048 0.000 2.015 218 K HA -0.292 4.033 4.320 0.009 0.000 0.216 218 K C 2.274 178.912 176.600 0.064 0.000 1.052 218 K CA 2.436 58.741 56.287 0.029 0.000 0.937 218 K CB -0.603 31.891 32.500 -0.009 0.000 0.719 218 K HN 0.304 nan 8.250 nan 0.000 0.446 219 Y N 1.002 121.281 120.300 -0.035 0.000 2.145 219 Y HA -0.267 4.285 4.550 0.003 0.000 0.286 219 Y C 2.222 178.152 175.900 0.050 0.000 1.145 219 Y CA 1.669 59.777 58.100 0.013 0.000 1.148 219 Y CB -0.311 38.172 38.460 0.040 0.000 0.981 219 Y HN 0.116 nan 8.280 nan 0.000 0.507 220 A N -0.494 122.464 122.820 0.229 0.000 1.908 220 A HA -0.203 4.123 4.320 0.009 0.000 0.218 220 A C 2.196 179.829 177.584 0.083 0.000 1.181 220 A CA 2.395 54.527 52.037 0.159 0.000 0.627 220 A CB -1.368 17.744 19.000 0.186 0.000 0.818 220 A HN 0.537 nan 8.150 nan 0.000 0.445 221 T N -0.462 114.137 114.554 0.075 0.000 2.668 221 T HA -0.110 4.245 4.350 0.009 0.000 0.262 221 T C 1.085 175.787 174.700 0.004 0.000 1.045 221 T CA 1.449 63.584 62.100 0.058 0.000 1.152 221 T CB -0.430 68.471 68.868 0.055 0.000 0.864 221 T HN 0.703 nan 8.240 nan 0.000 0.419 222 N N 0.942 119.618 118.700 -0.040 0.000 2.725 222 N HA -0.240 4.505 4.740 0.009 0.000 0.251 222 N C -0.404 175.077 175.510 -0.049 0.000 1.031 222 N CA 0.571 53.572 53.050 -0.082 0.000 0.720 222 N CB -1.500 36.890 38.487 -0.162 0.000 0.930 222 N HN 0.483 nan 8.380 nan 0.000 0.543 223 R N -1.796 118.688 120.500 -0.027 0.000 3.516 223 R HA -0.204 4.141 4.340 0.009 0.000 0.271 223 R C 1.388 177.674 176.300 -0.023 0.000 1.098 223 R CA 1.268 57.355 56.100 -0.023 0.000 0.732 223 R CB -1.875 28.408 30.300 -0.029 0.000 1.152 223 R HN 1.071 nan 8.270 nan 0.000 0.455 224 G N -0.422 108.373 108.800 -0.009 0.000 2.317 224 G HA2 -0.365 3.600 3.960 0.009 0.000 0.227 224 G HA3 -0.365 3.600 3.960 0.009 0.000 0.227 224 G C 0.040 174.935 174.900 -0.008 0.000 1.042 224 G CA 0.088 45.185 45.100 -0.004 0.000 0.623 224 G HN 0.419 nan 8.290 nan 0.000 0.509 225 N N 1.708 120.387 118.700 -0.035 0.000 2.739 225 N HA 0.418 5.163 4.740 0.009 0.000 0.266 225 N C 0.184 175.666 175.510 -0.046 0.000 1.168 225 N CA -0.305 52.708 53.050 -0.062 0.000 1.055 225 N CB -0.251 38.191 38.487 -0.076 0.000 1.393 225 N HN 0.221 nan 8.380 nan 0.000 0.514 226 L N 2.893 124.115 121.223 -0.002 0.000 2.453 226 L HA 0.200 4.546 4.340 0.009 0.000 0.272 226 L C 0.708 177.698 176.870 0.200 0.000 1.182 226 L CA 0.636 55.553 54.840 0.128 0.000 0.858 226 L CB 0.250 42.480 42.059 0.285 0.000 1.120 226 L HN 0.372 nan 8.230 nan 0.000 0.474 227 R N 1.920 122.531 120.500 0.185 0.000 2.480 227 R HA 0.428 4.773 4.340 0.009 0.000 0.306 227 R C -0.339 176.125 176.300 0.274 0.000 0.958 227 R CA -0.656 55.586 56.100 0.238 0.000 0.861 227 R CB 1.373 31.694 30.300 0.034 0.000 1.171 227 R HN 0.542 nan 8.270 nan 0.000 0.445 228 S N 1.781 117.649 115.700 0.280 0.000 2.544 228 S HA 0.269 4.744 4.470 0.009 0.000 0.290 228 S C -0.081 174.566 174.600 0.079 0.000 1.276 228 S CA -0.050 58.205 58.200 0.091 0.000 1.075 228 S CB 0.744 63.965 63.200 0.034 0.000 0.849 228 S HN 0.700 nan 8.310 nan 0.000 0.494 229 A N 3.145 125.976 122.820 0.018 0.000 2.569 229 A HA 0.890 5.215 4.320 0.009 0.000 0.290 229 A C -1.067 176.553 177.584 0.060 0.000 1.136 229 A CA -0.734 51.254 52.037 -0.082 0.000 0.710 229 A CB 1.324 20.205 19.000 -0.197 0.000 1.303 229 A HN 0.792 nan 8.150 nan 0.000 0.413 230 I N 0.124 120.710 120.570 0.027 0.000 2.692 230 I HA 0.551 4.726 4.170 0.009 0.000 0.293 230 I C -1.248 174.970 176.117 0.169 0.000 1.200 230 I CA -0.087 61.349 61.300 0.226 0.000 1.036 230 I CB 2.377 40.443 38.000 0.110 0.000 1.258 230 I HN 0.597 nan 8.210 nan 0.000 0.421 231 T N 6.362 121.058 114.554 0.237 0.000 2.779 231 T HA 0.468 4.823 4.350 0.009 0.000 0.280 231 T C -0.712 173.808 174.700 -0.301 0.000 0.987 231 T CA -0.360 61.725 62.100 -0.026 0.000 0.966 231 T CB 1.513 70.362 68.868 -0.032 0.000 0.933 231 T HN 0.268 nan 8.240 nan 0.000 0.442 232 V N 5.103 124.749 119.914 -0.448 0.000 2.328 232 V HA 0.476 4.601 4.120 0.009 0.000 0.278 232 V C -0.447 175.335 176.094 -0.521 0.000 1.021 232 V CA -0.830 61.211 62.300 -0.432 0.000 0.838 232 V CB 0.036 31.543 31.823 -0.528 0.000 0.999 232 V HN 0.713 nan 8.190 nan 0.000 0.447 233 F N 5.390 125.249 119.950 -0.151 0.000 2.380 233 F HA 0.543 5.077 4.527 0.011 0.000 0.319 233 F C -1.889 173.834 175.800 -0.127 0.000 1.113 233 F CA -2.434 55.408 58.000 -0.263 0.000 1.056 233 F CB 0.534 39.362 39.000 -0.287 0.000 1.289 233 F HN 0.285 nan 8.300 nan 0.000 0.515 234 P HA 0.033 nan 4.420 nan 0.000 0.268 234 P C -1.004 176.352 177.300 0.094 0.000 1.205 234 P CA -0.333 62.757 63.100 -0.017 0.000 0.771 234 P CB 0.304 31.923 31.700 -0.135 0.000 0.858 235 Q N 3.278 123.027 119.800 -0.084 0.000 2.524 235 Q HA 0.078 4.423 4.340 0.009 0.000 0.246 235 Q C 0.121 176.020 176.000 -0.168 0.000 1.063 235 Q CA -0.341 55.142 55.803 -0.533 0.000 0.945 235 Q CB 0.668 28.789 28.738 -1.029 0.000 1.292 235 Q HN 0.342 nan 8.270 nan 0.000 0.518 236 R N 0.219 120.602 120.500 -0.194 0.000 2.570 236 R HA 0.247 4.592 4.340 0.009 0.000 0.277 236 R C -1.173 175.078 176.300 -0.082 0.000 1.039 236 R CA 0.638 56.691 56.100 -0.079 0.000 1.065 236 R CB 0.263 30.511 30.300 -0.087 0.000 0.964 236 R HN 0.691 nan 8.270 nan 0.000 0.428 237 A N 6.416 129.221 122.820 -0.024 0.000 2.355 237 A HA 0.505 4.830 4.320 0.009 0.000 0.317 237 A C -2.354 175.219 177.584 -0.017 0.000 1.094 237 A CA -1.882 50.142 52.037 -0.023 0.000 0.764 237 A CB 1.236 20.243 19.000 0.013 0.000 1.230 237 A HN 0.587 nan 8.150 nan 0.000 0.448 238 P HA 0.059 nan 4.420 nan 0.000 0.259 238 P C 0.903 178.199 177.300 -0.006 0.000 1.155 238 P CA 2.014 65.106 63.100 -0.013 0.000 0.759 238 P CB 0.078 31.771 31.700 -0.011 0.000 0.753 239 G N 2.302 111.098 108.800 -0.006 0.000 2.366 239 G HA2 -0.255 3.711 3.960 0.009 0.000 0.299 239 G HA3 -0.255 3.711 3.960 0.009 0.000 0.299 239 G C 0.057 174.956 174.900 -0.002 0.000 1.020 239 G CA -0.041 45.057 45.100 -0.003 0.000 1.026 239 G HN 0.800 nan 8.290 nan 0.000 0.512 240 R N -0.404 120.092 120.500 -0.005 0.000 2.522 240 R HA 0.484 4.829 4.340 0.009 0.000 0.273 240 R C 0.585 176.875 176.300 -0.017 0.000 1.133 240 R CA 0.007 56.102 56.100 -0.009 0.000 0.969 240 R CB 0.798 31.099 30.300 0.001 0.000 1.235 240 R HN 0.765 nan 8.270 nan 0.000 0.433 241 G N 2.495 111.277 108.800 -0.031 0.000 2.484 241 G HA2 0.036 4.002 3.960 0.009 0.000 0.235 241 G HA3 0.036 4.002 3.960 0.009 0.000 0.235 241 G C -0.316 174.550 174.900 -0.057 0.000 1.282 241 G CA -0.193 44.885 45.100 -0.037 0.000 0.857 241 G HN 0.539 nan 8.290 nan 0.000 0.571 242 D N 0.289 120.677 120.400 -0.020 0.000 2.304 242 D HA 0.218 4.864 4.640 0.009 0.000 0.247 242 D C 0.234 176.532 176.300 -0.002 0.000 1.089 242 D CA 0.063 54.081 54.000 0.031 0.000 0.910 242 D CB 0.754 41.591 40.800 0.061 0.000 1.199 242 D HN 0.161 nan 8.370 nan 0.000 0.426 243 F N 1.612 121.589 119.950 0.045 0.000 2.543 243 F HA 0.143 4.676 4.527 0.010 0.000 0.375 243 F C 1.286 177.118 175.800 0.053 0.000 1.075 243 F CA 0.284 58.302 58.000 0.030 0.000 1.225 243 F CB 0.371 39.378 39.000 0.011 0.000 1.099 243 F HN -0.181 nan 8.300 nan 0.000 0.561 244 R N 3.828 124.460 120.500 0.221 0.000 2.686 244 R HA 0.526 4.871 4.340 0.009 0.000 0.283 244 R C -1.003 175.446 176.300 0.249 0.000 0.978 244 R CA -0.944 55.295 56.100 0.232 0.000 0.897 244 R CB 2.036 32.498 30.300 0.270 0.000 1.192 244 R HN 0.610 nan 8.270 nan 0.000 0.457 245 I N 2.175 122.873 120.570 0.214 0.000 2.321 245 I HA 0.163 4.338 4.170 0.009 0.000 0.291 245 I C 0.535 176.860 176.117 0.346 0.000 0.998 245 I CA -0.428 61.005 61.300 0.222 0.000 1.227 245 I CB 1.123 39.192 38.000 0.115 0.000 1.368 245 I HN 0.506 nan 8.210 nan 0.000 0.466 246 W N 3.474 124.825 121.300 0.085 0.000 2.418 246 W HA -0.047 4.618 4.660 0.008 0.000 0.292 246 W C 0.983 177.622 176.519 0.199 0.000 1.213 246 W CA 0.108 57.575 57.345 0.204 0.000 1.283 246 W CB -0.765 28.810 29.460 0.192 0.000 1.119 246 W HN 0.401 nan 8.180 nan 0.000 0.542 247 N N 0.084 118.962 118.700 0.297 0.000 2.441 247 N HA 0.001 4.747 4.740 0.009 0.000 0.251 247 N C 1.317 176.889 175.510 0.104 0.000 1.242 247 N CA 0.893 54.031 53.050 0.147 0.000 0.898 247 N CB 0.802 39.312 38.487 0.040 0.000 1.100 247 N HN -0.078 nan 8.380 nan 0.000 0.443 248 S N 0.726 116.471 115.700 0.075 0.000 2.446 248 S HA 0.036 4.511 4.470 0.009 0.000 0.225 248 S C 0.330 174.916 174.600 -0.022 0.000 1.016 248 S CA 0.475 58.700 58.200 0.041 0.000 0.943 248 S CB 0.153 63.391 63.200 0.064 0.000 0.786 248 S HN 0.632 nan 8.310 nan 0.000 0.508 249 Q N -0.717 119.059 119.800 -0.041 0.000 2.495 249 Q HA 0.507 4.852 4.340 0.009 0.000 0.287 249 Q C 0.165 176.082 176.000 -0.137 0.000 1.078 249 Q CA -0.632 55.108 55.803 -0.105 0.000 0.793 249 Q CB 1.790 30.488 28.738 -0.067 0.000 1.459 249 Q HN 0.123 nan 8.270 nan 0.000 0.422 250 L N -0.070 121.046 121.223 -0.178 0.000 2.156 250 L HA 0.056 4.402 4.340 0.009 0.000 0.208 250 L C 0.405 177.120 176.870 -0.258 0.000 1.095 250 L CA 0.708 55.443 54.840 -0.174 0.000 0.770 250 L CB 0.142 42.107 42.059 -0.157 0.000 0.914 250 L HN 0.230 nan 8.230 nan 0.000 0.439 251 V N 0.960 120.615 119.914 -0.432 0.000 2.409 251 V HA 0.488 4.613 4.120 0.009 0.000 0.291 251 V C -0.242 175.354 176.094 -0.830 0.000 1.020 251 V CA -0.667 61.197 62.300 -0.728 0.000 0.848 251 V CB 1.601 32.703 31.823 -1.202 0.000 0.990 251 V HN 0.172 nan 8.190 nan 0.000 0.430 252 R N 2.852 122.994 120.500 -0.597 0.000 2.626 252 R HA 0.468 4.813 4.340 0.009 0.000 0.274 252 R C -1.783 174.322 176.300 -0.325 0.000 1.031 252 R CA -0.786 55.078 56.100 -0.393 0.000 0.898 252 R CB 2.398 32.600 30.300 -0.164 0.000 1.222 252 R HN 0.583 nan 8.270 nan 0.000 0.455 253 Y N 0.663 120.961 120.300 -0.003 0.000 2.304 253 Y HA 0.334 4.890 4.550 0.009 0.000 0.328 253 Y C 1.067 176.941 175.900 -0.045 0.000 1.123 253 Y CA -0.529 57.587 58.100 0.026 0.000 1.218 253 Y CB 0.883 39.431 38.460 0.146 0.000 1.207 253 Y HN 0.669 nan 8.280 nan 0.000 0.495 254 A N 2.083 124.946 122.820 0.072 0.000 2.561 254 A HA 0.439 4.764 4.320 0.009 0.000 0.234 254 A C 0.731 178.101 177.584 -0.357 0.000 1.055 254 A CA 0.473 52.382 52.037 -0.214 0.000 0.756 254 A CB -0.376 18.421 19.000 -0.338 0.000 0.986 254 A HN 0.958 nan 8.150 nan 0.000 0.505 255 G N 1.313 109.880 108.800 -0.389 0.000 2.660 255 G HA2 0.539 4.504 3.960 0.009 0.000 0.305 255 G HA3 0.539 4.504 3.960 0.009 0.000 0.305 255 G C -1.058 173.660 174.900 -0.303 0.000 1.329 255 G CA -0.298 44.616 45.100 -0.311 0.000 1.000 255 G HN 0.536 nan 8.290 nan 0.000 0.514 256 Y N 1.427 121.737 120.300 0.017 0.000 2.353 256 Y HA 0.430 4.985 4.550 0.009 0.000 0.340 256 Y C 0.953 176.850 175.900 -0.005 0.000 0.972 256 Y CA -1.038 57.072 58.100 0.017 0.000 1.157 256 Y CB 1.274 39.742 38.460 0.013 0.000 1.157 256 Y HN 0.459 nan 8.280 nan 0.000 0.495 257 R N 3.292 123.868 120.500 0.126 0.000 2.316 257 R HA 0.133 4.478 4.340 0.009 0.000 0.314 257 R C -0.356 175.984 176.300 0.067 0.000 1.069 257 R CA -0.429 55.713 56.100 0.070 0.000 0.959 257 R CB 0.430 30.756 30.300 0.043 0.000 0.987 257 R HN 0.614 nan 8.270 nan 0.000 0.446 258 Q N 2.381 122.209 119.800 0.046 0.000 2.312 258 Q HA -0.022 4.323 4.340 0.009 0.000 0.236 258 Q C 0.625 176.634 176.000 0.015 0.000 0.965 258 Q CA -0.173 55.647 55.803 0.028 0.000 0.894 258 Q CB 1.317 30.067 28.738 0.020 0.000 1.225 258 Q HN 0.615 nan 8.270 nan 0.000 0.478 259 Q N 1.514 121.317 119.800 0.004 0.000 2.096 259 Q HA -0.206 4.139 4.340 0.009 0.000 0.208 259 Q C 0.735 176.735 176.000 0.001 0.000 0.993 259 Q CA 2.319 58.121 55.803 -0.001 0.000 0.862 259 Q CB 0.050 28.783 28.738 -0.008 0.000 0.915 259 Q HN 0.742 nan 8.270 nan 0.000 0.416 260 D N -2.433 117.968 120.400 0.001 0.000 2.346 260 D HA 0.035 4.680 4.640 0.009 0.000 0.248 260 D C 0.981 177.283 176.300 0.004 0.000 1.173 260 D CA 0.809 54.810 54.000 0.001 0.000 0.878 260 D CB 0.113 40.912 40.800 -0.001 0.000 0.919 260 D HN 0.486 nan 8.370 nan 0.000 0.513 261 G N 0.808 109.612 108.800 0.007 0.000 2.358 261 G HA2 -0.352 3.614 3.960 0.009 0.000 0.224 261 G HA3 -0.352 3.614 3.960 0.009 0.000 0.224 261 G C 0.633 175.540 174.900 0.011 0.000 1.073 261 G CA 0.400 45.505 45.100 0.009 0.000 0.635 261 G HN 0.741 nan 8.290 nan 0.000 0.509 262 S N -0.476 115.230 115.700 0.009 0.000 2.625 262 S HA 0.692 5.167 4.470 0.009 0.000 0.258 262 S C 0.104 174.710 174.600 0.009 0.000 1.256 262 S CA 0.281 58.485 58.200 0.007 0.000 0.983 262 S CB 1.810 65.012 63.200 0.004 0.000 1.032 262 S HN 1.288 nan 8.310 nan 0.000 0.572 263 V N 0.641 120.553 119.914 -0.003 0.000 2.638 263 V HA 0.545 4.670 4.120 0.009 0.000 0.306 263 V C -0.097 175.985 176.094 -0.020 0.000 1.052 263 V CA -0.805 61.490 62.300 -0.010 0.000 0.885 263 V CB 1.601 33.396 31.823 -0.046 0.000 0.999 263 V HN 0.898 nan 8.190 nan 0.000 0.424 264 R N 2.132 122.653 120.500 0.035 0.000 2.428 264 R HA 0.676 5.022 4.340 0.009 0.000 0.294 264 R C 0.725 177.005 176.300 -0.034 0.000 1.000 264 R CA 0.965 57.092 56.100 0.045 0.000 0.960 264 R CB 1.366 31.767 30.300 0.170 0.000 1.076 264 R HN 1.267 nan 8.270 nan 0.000 0.475 265 G N 2.583 111.287 108.800 -0.160 0.000 2.593 265 G HA2 -0.282 3.684 3.960 0.009 0.000 0.237 265 G HA3 -0.282 3.684 3.960 0.009 0.000 0.237 265 G C -0.966 173.591 174.900 -0.572 0.000 1.312 265 G CA -0.066 44.858 45.100 -0.294 0.000 0.896 265 G HN 0.662 nan 8.290 nan 0.000 0.574 266 D N 1.601 121.779 120.400 -0.370 0.000 2.352 266 D HA 0.432 5.077 4.640 0.009 0.000 0.245 266 D C -0.845 175.345 176.300 -0.183 0.000 1.224 266 D CA -1.637 52.171 54.000 -0.321 0.000 0.879 266 D CB 1.068 41.971 40.800 0.171 0.000 1.057 266 D HN 0.013 nan 8.370 nan 0.000 0.491 267 P HA -0.092 nan 4.420 nan 0.000 0.223 267 P C 0.838 178.126 177.300 -0.020 0.000 1.144 267 P CA 0.729 63.772 63.100 -0.094 0.000 0.783 267 P CB 0.270 31.925 31.700 -0.075 0.000 0.771 268 A N -0.489 122.336 122.820 0.009 0.000 2.119 268 A HA -0.095 4.230 4.320 0.009 0.000 0.217 268 A C 1.580 179.201 177.584 0.061 0.000 1.153 268 A CA 1.210 53.284 52.037 0.062 0.000 0.692 268 A CB -0.744 18.316 19.000 0.100 0.000 0.799 268 A HN 0.153 nan 8.150 nan 0.000 0.458 269 N N -0.413 118.306 118.700 0.032 0.000 2.234 269 N HA 0.138 4.883 4.740 0.009 0.000 0.227 269 N C 1.143 176.638 175.510 -0.025 0.000 1.151 269 N CA 0.194 53.252 53.050 0.013 0.000 0.865 269 N CB 0.583 39.075 38.487 0.009 0.000 1.066 269 N HN 0.178 nan 8.380 nan 0.000 0.515 270 V N 1.337 121.239 119.914 -0.019 0.000 2.231 270 V HA -0.294 3.831 4.120 0.009 0.000 0.248 270 V C 2.457 178.539 176.094 -0.020 0.000 1.054 270 V CA 1.990 64.277 62.300 -0.022 0.000 1.015 270 V CB -0.388 31.433 31.823 -0.003 0.000 0.638 270 V HN 0.385 nan 8.190 nan 0.000 0.444 271 E N -0.516 119.679 120.200 -0.009 0.000 2.049 271 E HA -0.295 4.061 4.350 0.009 0.000 0.198 271 E C 2.122 178.640 176.600 -0.136 0.000 1.007 271 E CA 2.112 58.483 56.400 -0.048 0.000 0.809 271 E CB -0.221 29.491 29.700 0.019 0.000 0.749 271 E HN 0.493 nan 8.360 nan 0.000 0.450 272 I N 0.665 121.173 120.570 -0.103 0.000 2.315 272 I HA -0.200 3.975 4.170 0.009 0.000 0.248 272 I C 2.084 178.149 176.117 -0.088 0.000 1.117 272 I CA 1.544 62.768 61.300 -0.126 0.000 1.404 272 I CB -0.443 37.537 38.000 -0.033 0.000 1.071 272 I HN 0.094 nan 8.210 nan 0.000 0.419 273 T N 0.245 114.763 114.554 -0.060 0.000 2.720 273 T HA -0.219 4.136 4.350 0.009 0.000 0.268 273 T C 1.778 176.525 174.700 0.080 0.000 1.037 273 T CA 1.954 64.051 62.100 -0.005 0.000 1.144 273 T CB -0.305 68.545 68.868 -0.029 0.000 0.864 273 T HN 0.466 nan 8.240 nan 0.000 0.444 274 E N 0.503 120.719 120.200 0.027 0.000 2.106 274 E HA 0.003 4.359 4.350 0.009 0.000 0.192 274 E C 2.236 178.850 176.600 0.023 0.000 0.984 274 E CA 0.588 57.011 56.400 0.038 0.000 0.806 274 E CB -0.261 29.439 29.700 0.001 0.000 0.750 274 E HN 0.400 nan 8.360 nan 0.000 0.458 275 L N 0.362 121.568 121.223 -0.030 0.000 2.013 275 L HA -0.299 4.046 4.340 0.009 0.000 0.212 275 L C 2.588 179.561 176.870 0.172 0.000 1.073 275 L CA 1.030 55.890 54.840 0.034 0.000 0.753 275 L CB -0.553 41.470 42.059 -0.060 0.000 0.890 275 L HN 0.348 nan 8.230 nan 0.000 0.432 276 C N -0.119 119.241 119.300 0.101 0.000 2.413 276 C HA -0.169 4.297 4.460 0.009 0.000 0.276 276 C C 2.728 177.888 174.990 0.283 0.000 1.248 276 C CA 0.573 59.665 59.018 0.124 0.000 1.742 276 C CB -0.727 26.986 27.740 -0.046 0.000 2.017 276 C HN 0.429 nan 8.230 nan 0.000 0.481 277 I N 0.358 121.106 120.570 0.297 0.000 2.202 277 I HA -0.258 3.918 4.170 0.009 0.000 0.242 277 I C 2.673 178.837 176.117 0.078 0.000 1.091 277 I CA 1.539 62.967 61.300 0.214 0.000 1.368 277 I CB -0.705 37.395 38.000 0.166 0.000 1.058 277 I HN 0.430 nan 8.210 nan 0.000 0.410 278 Q N -0.093 119.715 119.800 0.013 0.000 2.197 278 Q HA -0.249 4.096 4.340 0.009 0.000 0.207 278 Q C 1.418 177.283 176.000 -0.225 0.000 0.984 278 Q CA 1.584 57.313 55.803 -0.124 0.000 0.869 278 Q CB -0.210 28.408 28.738 -0.200 0.000 0.906 278 Q HN 0.640 nan 8.270 nan 0.000 0.426 279 H N -1.823 117.236 119.070 -0.018 0.000 2.526 279 H HA 0.214 4.776 4.556 0.009 0.000 0.274 279 H C 0.718 176.023 175.328 -0.038 0.000 0.999 279 H CA 0.429 56.441 56.048 -0.061 0.000 1.157 279 H CB 0.781 30.462 29.762 -0.135 0.000 1.407 279 H HN 0.395 nan 8.280 nan 0.000 0.568 280 G N -0.035 108.811 108.800 0.077 0.000 2.134 280 G HA2 -0.254 3.711 3.960 0.009 0.000 0.209 280 G HA3 -0.254 3.711 3.960 0.009 0.000 0.209 280 G C -0.246 174.723 174.900 0.115 0.000 0.993 280 G CA -0.159 44.973 45.100 0.052 0.000 0.669 280 G HN 0.369 nan 8.290 nan 0.000 0.519 281 W N 2.490 123.769 121.300 -0.034 0.000 2.266 281 W HA 0.624 5.290 4.660 0.009 0.000 0.317 281 W C 0.429 176.942 176.519 -0.010 0.000 1.310 281 W CA 0.077 57.405 57.345 -0.028 0.000 1.207 281 W CB 0.709 30.160 29.460 -0.015 0.000 1.199 281 W HN 0.095 nan 8.180 nan 0.000 0.544 282 T N 9.877 124.145 114.554 -0.477 0.000 2.727 282 T HA 0.164 4.520 4.350 0.009 0.000 0.295 282 T C -2.053 171.816 174.700 -1.385 0.000 0.915 282 T CA -0.845 60.873 62.100 -0.637 0.000 1.066 282 T CB 0.338 68.983 68.868 -0.372 0.000 0.891 282 T HN 0.247 nan 8.240 nan 0.000 0.516 283 P HA 0.288 nan 4.420 nan 0.000 0.274 283 P C 0.510 177.380 177.300 -0.718 0.000 1.237 283 P CA -0.291 61.925 63.100 -1.473 0.000 0.793 283 P CB 0.881 32.292 31.700 -0.480 0.000 0.977 284 G N 1.039 109.639 108.800 -0.333 0.000 2.630 284 G HA2 0.164 4.129 3.960 0.009 0.000 0.223 284 G HA3 0.164 4.129 3.960 0.009 0.000 0.223 284 G C 0.394 175.101 174.900 -0.320 0.000 1.434 284 G CA -0.285 44.742 45.100 -0.121 0.000 1.057 284 G HN 0.571 nan 8.290 nan 0.000 0.570 285 N N -1.105 117.488 118.700 -0.178 0.000 2.039 285 N HA 0.141 4.886 4.740 0.009 0.000 0.228 285 N C 0.595 176.083 175.510 -0.038 0.000 1.369 285 N CA 0.099 52.953 53.050 -0.327 0.000 0.806 285 N CB 1.367 39.695 38.487 -0.265 0.000 1.190 285 N HN 0.549 nan 8.380 nan 0.000 0.506 286 G N -0.163 108.730 108.800 0.155 0.000 2.557 286 G HA2 0.320 4.286 3.960 0.009 0.000 0.302 286 G HA3 0.320 4.286 3.960 0.009 0.000 0.302 286 G C 0.720 175.723 174.900 0.171 0.000 1.311 286 G CA -0.267 44.931 45.100 0.164 0.000 1.030 286 G HN 0.071 nan 8.290 nan 0.000 0.509 287 R N -1.356 119.144 120.500 -0.001 0.000 2.275 287 R HA 0.146 4.491 4.340 0.009 0.000 0.199 287 R C -0.183 175.678 176.300 -0.731 0.000 0.989 287 R CA 0.639 56.528 56.100 -0.353 0.000 1.016 287 R CB 0.089 30.052 30.300 -0.562 0.000 0.918 287 R HN 0.370 nan 8.270 nan 0.000 0.473 288 F N 0.433 120.373 119.950 -0.016 0.000 2.576 288 F HA 0.255 4.788 4.527 0.009 0.000 0.365 288 F C -0.742 175.100 175.800 0.070 0.000 1.506 288 F CA -1.194 56.580 58.000 -0.377 0.000 1.113 288 F CB 0.579 39.149 39.000 -0.717 0.000 1.293 288 F HN -0.266 nan 8.300 nan 0.000 0.540 289 D N 1.742 122.358 120.400 0.360 0.000 2.339 289 D HA 0.189 4.834 4.640 0.009 0.000 0.241 289 D C 0.180 176.722 176.300 0.403 0.000 1.183 289 D CA 0.119 54.365 54.000 0.410 0.000 0.859 289 D CB 2.028 43.117 40.800 0.481 0.000 1.067 289 D HN -0.053 nan 8.370 nan 0.000 0.484 290 V N 4.190 124.302 119.914 0.330 0.000 2.450 290 V HA -0.034 4.091 4.120 0.009 0.000 0.281 290 V C 1.059 177.130 176.094 -0.039 0.000 1.019 290 V CA -0.208 62.155 62.300 0.105 0.000 1.062 290 V CB -0.110 31.741 31.823 0.047 0.000 0.979 290 V HN 0.352 nan 8.190 nan 0.000 0.477 291 L N 8.727 129.829 121.223 -0.201 0.000 2.461 291 L HA 0.266 4.611 4.340 0.009 0.000 0.272 291 L C -1.430 175.172 176.870 -0.447 0.000 1.197 291 L CA -1.288 53.272 54.840 -0.466 0.000 0.836 291 L CB 0.734 42.563 42.059 -0.384 0.000 1.105 291 L HN 0.481 nan 8.230 nan 0.000 0.477 292 P HA 0.103 nan 4.420 nan 0.000 0.274 292 P C -1.017 176.109 177.300 -0.290 0.000 1.260 292 P CA -0.568 62.272 63.100 -0.433 0.000 0.793 292 P CB 0.825 32.175 31.700 -0.583 0.000 1.048 293 L N 0.936 122.071 121.223 -0.147 0.000 2.282 293 L HA 0.273 4.618 4.340 0.009 0.000 0.288 293 L C -0.007 176.814 176.870 -0.082 0.000 1.033 293 L CA -0.467 54.340 54.840 -0.055 0.000 0.807 293 L CB 0.341 42.449 42.059 0.082 0.000 1.209 293 L HN 0.224 nan 8.230 nan 0.000 0.423 294 L N 5.780 126.927 121.223 -0.127 0.000 2.257 294 L HA 0.465 4.810 4.340 0.009 0.000 0.290 294 L C -0.315 176.431 176.870 -0.208 0.000 1.044 294 L CA 0.020 54.683 54.840 -0.295 0.000 0.810 294 L CB 0.818 42.583 42.059 -0.490 0.000 1.193 294 L HN 0.444 nan 8.230 nan 0.000 0.425 295 L N 3.903 125.037 121.223 -0.148 0.000 2.362 295 L HA 0.562 4.908 4.340 0.009 0.000 0.271 295 L C -0.254 176.553 176.870 -0.105 0.000 1.002 295 L CA -0.594 54.224 54.840 -0.037 0.000 0.818 295 L CB 2.353 44.461 42.059 0.081 0.000 1.298 295 L HN 0.534 nan 8.230 nan 0.000 0.420 296 Q N 2.026 121.808 119.800 -0.031 0.000 2.310 296 Q HA 0.707 5.052 4.340 0.009 0.000 0.270 296 Q C -1.247 174.721 176.000 -0.053 0.000 1.025 296 Q CA -0.550 55.236 55.803 -0.030 0.000 0.772 296 Q CB 2.375 31.185 28.738 0.120 0.000 1.253 296 Q HN 0.798 nan 8.270 nan 0.000 0.450 297 A N 4.781 127.520 122.820 -0.135 0.000 2.293 297 A HA 0.652 4.978 4.320 0.009 0.000 0.302 297 A C -2.415 174.927 177.584 -0.402 0.000 1.119 297 A CA -1.647 50.162 52.037 -0.381 0.000 0.823 297 A CB 0.201 19.081 19.000 -0.200 0.000 1.097 297 A HN 0.613 nan 8.150 nan 0.000 0.491 298 P HA 0.032 nan 4.420 nan 0.000 0.258 298 P C -0.454 176.745 177.300 -0.169 0.000 1.172 298 P CA 1.014 63.902 63.100 -0.353 0.000 0.762 298 P CB 0.156 31.636 31.700 -0.366 0.000 0.764 299 D N 0.073 120.419 120.400 -0.090 0.000 3.046 299 D HA -0.181 4.464 4.640 0.009 0.000 0.210 299 D C -0.091 176.193 176.300 -0.027 0.000 1.124 299 D CA 1.357 55.334 54.000 -0.038 0.000 0.986 299 D CB -0.926 39.854 40.800 -0.034 0.000 1.118 299 D HN 0.517 nan 8.370 nan 0.000 0.416 300 E N -0.472 119.702 120.200 -0.044 0.000 2.221 300 E HA 0.674 5.029 4.350 0.009 0.000 0.268 300 E C 0.006 176.593 176.600 -0.022 0.000 0.933 300 E CA -0.541 55.840 56.400 -0.032 0.000 0.809 300 E CB 1.425 31.097 29.700 -0.047 0.000 1.190 300 E HN 0.185 nan 8.360 nan 0.000 0.406 301 A N 2.954 125.759 122.820 -0.025 0.000 2.445 301 A HA 0.288 4.613 4.320 0.009 0.000 0.242 301 A C -2.098 175.386 177.584 -0.166 0.000 1.075 301 A CA -1.004 51.004 52.037 -0.047 0.000 0.777 301 A CB -0.365 18.621 19.000 -0.023 0.000 1.013 301 A HN 0.372 nan 8.150 nan 0.000 0.493 302 P HA 0.213 nan 4.420 nan 0.000 0.271 302 P C -0.581 176.426 177.300 -0.490 0.000 1.216 302 P CA 0.195 62.947 63.100 -0.580 0.000 0.776 302 P CB 0.745 31.646 31.700 -1.332 0.000 0.881 303 E N 0.820 120.802 120.200 -0.364 0.000 2.235 303 E HA 0.537 4.893 4.350 0.009 0.000 0.265 303 E C -0.882 175.348 176.600 -0.618 0.000 0.940 303 E CA -1.037 55.102 56.400 -0.435 0.000 0.819 303 E CB 1.479 30.973 29.700 -0.343 0.000 1.206 303 E HN 0.270 nan 8.360 nan 0.000 0.409 304 L N 2.324 123.048 121.223 -0.832 0.000 2.313 304 L HA 0.506 4.851 4.340 0.009 0.000 0.283 304 L C -1.767 174.491 176.870 -1.020 0.000 1.013 304 L CA -0.116 54.310 54.840 -0.691 0.000 0.816 304 L CB 0.429 42.248 42.059 -0.399 0.000 1.236 304 L HN 0.409 nan 8.230 nan 0.000 0.419 305 F N 4.258 123.969 119.950 -0.399 0.000 2.539 305 F HA 0.521 5.054 4.527 0.010 0.000 0.318 305 F C -0.347 175.192 175.800 -0.436 0.000 1.135 305 F CA -0.993 56.623 58.000 -0.640 0.000 0.915 305 F CB 1.950 40.176 39.000 -1.291 0.000 1.176 305 F HN 0.023 nan 8.300 nan 0.000 0.440 306 V N 4.615 124.440 119.914 -0.148 0.000 2.406 306 V HA 0.248 4.373 4.120 0.009 0.000 0.272 306 V C 0.216 176.407 176.094 0.161 0.000 1.043 306 V CA -0.755 61.545 62.300 0.001 0.000 0.915 306 V CB 1.085 32.941 31.823 0.056 0.000 0.988 306 V HN 0.552 nan 8.190 nan 0.000 0.466 307 L N 7.526 128.865 121.223 0.194 0.000 2.462 307 L HA 0.243 4.588 4.340 0.009 0.000 0.272 307 L C -2.032 174.935 176.870 0.162 0.000 1.166 307 L CA -1.410 53.577 54.840 0.246 0.000 0.880 307 L CB 0.338 42.472 42.059 0.126 0.000 1.142 307 L HN 0.443 nan 8.230 nan 0.000 0.473 308 P HA 0.081 nan 4.420 nan 0.000 0.266 308 P C -2.030 175.316 177.300 0.076 0.000 1.215 308 P CA -1.075 62.092 63.100 0.111 0.000 0.763 308 P CB 0.336 32.094 31.700 0.096 0.000 0.806 309 P HA -0.197 nan 4.420 nan 0.000 0.219 309 P C 1.294 178.623 177.300 0.048 0.000 1.146 309 P CA 1.234 64.373 63.100 0.065 0.000 0.808 309 P CB -0.132 31.613 31.700 0.074 0.000 0.779 310 E N -0.097 120.127 120.200 0.041 0.000 2.409 310 E HA -0.131 4.225 4.350 0.009 0.000 0.198 310 E C 1.540 178.152 176.600 0.021 0.000 1.024 310 E CA 0.880 57.297 56.400 0.028 0.000 0.861 310 E CB -0.997 28.716 29.700 0.023 0.000 0.788 310 E HN 0.209 nan 8.360 nan 0.000 0.521 311 L N 0.792 122.027 121.223 0.022 0.000 2.209 311 L HA 0.025 4.370 4.340 0.009 0.000 0.207 311 L C 0.949 177.829 176.870 0.017 0.000 1.094 311 L CA 0.634 55.481 54.840 0.012 0.000 0.790 311 L CB 0.132 42.190 42.059 -0.001 0.000 0.932 311 L HN -0.101 nan 8.230 nan 0.000 0.447 312 V N 1.836 121.763 119.914 0.022 0.000 2.338 312 V HA 0.108 4.234 4.120 0.009 0.000 0.255 312 V C 0.056 176.175 176.094 0.042 0.000 1.082 312 V CA -0.588 61.723 62.300 0.019 0.000 0.951 312 V CB 0.434 32.259 31.823 0.003 0.000 1.102 312 V HN 0.023 nan 8.190 nan 0.000 0.489 313 L N 5.588 126.842 121.223 0.052 0.000 2.367 313 L HA 0.446 4.791 4.340 0.009 0.000 0.275 313 L C 0.182 177.094 176.870 0.071 0.000 1.129 313 L CA 0.835 55.703 54.840 0.047 0.000 0.839 313 L CB 0.555 42.635 42.059 0.034 0.000 1.133 313 L HN 0.640 nan 8.230 nan 0.000 0.453 314 E N 3.016 123.236 120.200 0.033 0.000 2.336 314 E HA 0.577 4.933 4.350 0.009 0.000 0.267 314 E C -1.531 175.020 176.600 -0.082 0.000 0.906 314 E CA -0.999 55.420 56.400 0.032 0.000 0.781 314 E CB 2.525 32.273 29.700 0.079 0.000 1.261 314 E HN 0.354 nan 8.360 nan 0.000 0.436 315 V N 3.140 122.974 119.914 -0.133 0.000 2.349 315 V HA 0.283 4.408 4.120 0.009 0.000 0.284 315 V C -2.450 173.585 176.094 -0.099 0.000 1.014 315 V CA -1.955 60.204 62.300 -0.236 0.000 0.826 315 V CB 1.266 32.679 31.823 -0.682 0.000 1.009 315 V HN 0.506 nan 8.190 nan 0.000 0.431 316 P HA 0.261 nan 4.420 nan 0.000 0.271 316 P C -0.604 176.707 177.300 0.017 0.000 1.216 316 P CA -0.091 62.980 63.100 -0.050 0.000 0.771 316 P CB 0.603 32.281 31.700 -0.037 0.000 0.864 317 L N 3.553 124.821 121.223 0.075 0.000 2.276 317 L HA 0.406 4.751 4.340 0.009 0.000 0.286 317 L C 1.112 178.142 176.870 0.266 0.000 1.061 317 L CA -0.132 54.824 54.840 0.192 0.000 0.807 317 L CB 0.353 42.593 42.059 0.301 0.000 1.177 317 L HN 0.484 nan 8.230 nan 0.000 0.429 318 E N 1.976 122.286 120.200 0.183 0.000 2.410 318 E HA 0.444 4.799 4.350 0.009 0.000 0.269 318 E C -1.239 175.343 176.600 -0.030 0.000 0.937 318 E CA -0.968 55.539 56.400 0.179 0.000 0.793 318 E CB 2.239 32.024 29.700 0.142 0.000 1.314 318 E HN 0.461 nan 8.360 nan 0.000 0.447 319 H N 0.987 119.908 119.070 -0.249 0.000 2.492 319 H HA 0.219 4.780 4.556 0.009 0.000 0.345 319 H C -1.787 173.281 175.328 -0.433 0.000 1.136 319 H CA -2.333 53.428 56.048 -0.477 0.000 1.202 319 H CB 2.012 31.390 29.762 -0.640 0.000 1.524 319 H HN 0.405 nan 8.280 nan 0.000 0.506 320 P HA -0.129 nan 4.420 nan 0.000 0.216 320 P C 0.945 178.028 177.300 -0.362 0.000 1.150 320 P CA 1.833 64.350 63.100 -0.972 0.000 0.837 320 P CB 0.362 31.417 31.700 -1.075 0.000 0.786 321 T N -4.654 109.839 114.554 -0.101 0.000 2.954 321 T HA 0.224 4.579 4.350 0.009 0.000 0.252 321 T C 0.826 175.507 174.700 -0.032 0.000 0.983 321 T CA -0.233 61.864 62.100 -0.005 0.000 0.941 321 T CB -0.508 68.360 68.868 0.001 0.000 1.141 321 T HN -0.066 nan 8.240 nan 0.000 0.500 322 L N 2.547 123.741 121.223 -0.048 0.000 2.312 322 L HA 0.402 4.747 4.340 0.009 0.000 0.287 322 L C 1.282 177.776 176.870 -0.627 0.000 1.091 322 L CA -0.295 54.162 54.840 -0.640 0.000 0.846 322 L CB 0.755 42.040 42.059 -1.289 0.000 1.219 322 L HN 0.194 nan 8.230 nan 0.000 0.439 323 E N 3.661 123.608 120.200 -0.421 0.000 2.150 323 E HA -0.168 4.187 4.350 0.009 0.000 0.193 323 E C 1.534 178.077 176.600 -0.095 0.000 0.985 323 E CA 1.336 57.638 56.400 -0.163 0.000 0.814 323 E CB 0.073 29.757 29.700 -0.025 0.000 0.752 323 E HN 0.790 nan 8.360 nan 0.000 0.466 324 W N -0.287 121.069 121.300 0.093 0.000 2.699 324 W HA -0.036 4.629 4.660 0.009 0.000 0.249 324 W C 1.403 177.977 176.519 0.093 0.000 1.280 324 W CA -0.219 57.167 57.345 0.069 0.000 1.345 324 W CB -0.740 28.739 29.460 0.031 0.000 1.128 324 W HN -0.025 nan 8.180 nan 0.000 0.642 325 F N 2.921 122.749 119.950 -0.203 0.000 2.171 325 F HA -0.037 4.495 4.527 0.009 0.000 0.300 325 F C 2.614 178.462 175.800 0.080 0.000 1.090 325 F CA 2.419 60.390 58.000 -0.048 0.000 1.293 325 F CB -0.566 38.245 39.000 -0.316 0.000 1.013 325 F HN -0.095 nan 8.300 nan 0.000 0.486 326 A N 0.064 123.043 122.820 0.264 0.000 1.972 326 A HA -0.038 4.287 4.320 0.009 0.000 0.219 326 A C 2.316 179.972 177.584 0.119 0.000 1.169 326 A CA 1.442 53.594 52.037 0.192 0.000 0.635 326 A CB -1.405 17.676 19.000 0.134 0.000 0.810 326 A HN 0.406 nan 8.150 nan 0.000 0.446 327 A N -0.867 122.030 122.820 0.128 0.000 2.121 327 A HA 0.108 4.434 4.320 0.009 0.000 0.218 327 A C 1.779 179.407 177.584 0.072 0.000 1.154 327 A CA 1.133 53.233 52.037 0.104 0.000 0.679 327 A CB -0.396 18.683 19.000 0.133 0.000 0.795 327 A HN 0.361 nan 8.150 nan 0.000 0.458 328 L N -0.854 120.390 121.223 0.036 0.000 2.191 328 L HA -0.002 4.343 4.340 0.009 0.000 0.212 328 L C 1.938 178.824 176.870 0.027 0.000 1.103 328 L CA 1.563 56.389 54.840 -0.022 0.000 0.769 328 L CB -1.407 40.525 42.059 -0.212 0.000 0.908 328 L HN 0.729 nan 8.230 nan 0.000 0.438 329 G N -0.878 107.939 108.800 0.029 0.000 2.160 329 G HA2 -0.257 3.708 3.960 0.009 0.000 0.244 329 G HA3 -0.257 3.708 3.960 0.009 0.000 0.244 329 G C 0.225 175.107 174.900 -0.029 0.000 1.022 329 G CA 0.236 45.358 45.100 0.037 0.000 0.741 329 G HN 0.298 nan 8.290 nan 0.000 0.508 330 L N 0.012 121.190 121.223 -0.076 0.000 2.375 330 L HA 0.824 5.170 4.340 0.009 0.000 0.271 330 L C 1.066 177.700 176.870 -0.395 0.000 1.107 330 L CA -0.855 53.846 54.840 -0.232 0.000 0.806 330 L CB 1.057 43.120 42.059 0.005 0.000 1.146 330 L HN 0.521 nan 8.230 nan 0.000 0.447 331 R N 1.356 121.390 120.500 -0.777 0.000 2.766 331 R HA 0.540 4.885 4.340 0.009 0.000 0.270 331 R C -1.991 174.279 176.300 -0.050 0.000 1.035 331 R CA -0.993 54.868 56.100 -0.398 0.000 0.911 331 R CB 2.097 32.119 30.300 -0.463 0.000 1.243 331 R HN 0.644 nan 8.270 nan 0.000 0.460 332 W N 1.316 122.582 121.300 -0.057 0.000 3.118 332 W HA 0.364 5.029 4.660 0.008 0.000 0.328 332 W C -1.249 175.382 176.519 0.187 0.000 1.239 332 W CA -0.987 56.427 57.345 0.114 0.000 1.176 332 W CB 2.109 31.582 29.460 0.021 0.000 1.433 332 W HN 0.684 nan 8.180 nan 0.000 0.562 333 Y N 1.003 121.261 120.300 -0.070 0.000 2.316 333 Y HA 0.583 5.138 4.550 0.008 0.000 0.324 333 Y C 0.779 176.905 175.900 0.377 0.000 1.267 333 Y CA -0.031 58.100 58.100 0.051 0.000 1.311 333 Y CB 0.256 38.617 38.460 -0.165 0.000 1.267 333 Y HN 0.357 nan 8.280 nan 0.000 0.516 334 A N 2.069 125.150 122.820 0.435 0.000 1.898 334 A HA 0.022 4.347 4.320 0.009 0.000 0.214 334 A C 0.645 178.538 177.584 0.516 0.000 1.183 334 A CA 0.534 52.849 52.037 0.464 0.000 0.622 334 A CB -0.422 18.703 19.000 0.209 0.000 0.824 334 A HN 0.679 nan 8.150 nan 0.000 0.444 335 L N 2.057 123.537 121.223 0.428 0.000 2.261 335 L HA 0.374 4.719 4.340 0.009 0.000 0.289 335 L C -2.467 174.519 176.870 0.194 0.000 1.059 335 L CA -2.213 52.774 54.840 0.244 0.000 0.816 335 L CB 1.242 43.392 42.059 0.152 0.000 1.191 335 L HN 0.013 nan 8.230 nan 0.000 0.431 336 P HA 0.272 nan 4.420 nan 0.000 0.283 336 P C -1.349 175.848 177.300 -0.171 0.000 1.412 336 P CA -0.271 62.671 63.100 -0.264 0.000 0.912 336 P CB 1.043 32.267 31.700 -0.793 0.000 1.132 337 A N 4.559 127.293 122.820 -0.143 0.000 2.431 337 A HA 0.404 4.729 4.320 0.009 0.000 0.318 337 A C -0.156 177.211 177.584 -0.362 0.000 1.330 337 A CA -0.672 51.222 52.037 -0.237 0.000 0.804 337 A CB 0.705 19.606 19.000 -0.165 0.000 1.135 337 A HN 0.294 nan 8.150 nan 0.000 0.483 338 V N 3.029 122.548 119.914 -0.658 0.000 2.508 338 V HA 0.234 4.359 4.120 0.009 0.000 0.281 338 V C 1.225 176.916 176.094 -0.671 0.000 1.041 338 V CA 1.103 62.976 62.300 -0.711 0.000 1.016 338 V CB 1.119 32.350 31.823 -0.987 0.000 0.984 338 V HN 1.059 nan 8.190 nan 0.000 0.478 339 S N 2.004 117.520 115.700 -0.306 0.000 2.666 339 S HA 0.030 4.505 4.470 0.009 0.000 0.239 339 S C 0.922 175.515 174.600 -0.013 0.000 1.031 339 S CA 0.132 58.248 58.200 -0.141 0.000 1.015 339 S CB -0.352 62.795 63.200 -0.088 0.000 0.981 339 S HN 0.905 nan 8.310 nan 0.000 0.547 340 N N 0.331 119.024 118.700 -0.012 0.000 2.282 340 N HA 0.240 4.986 4.740 0.009 0.000 0.185 340 N C 0.451 176.025 175.510 0.107 0.000 1.099 340 N CA -0.406 52.671 53.050 0.046 0.000 0.878 340 N CB -0.033 38.466 38.487 0.020 0.000 0.993 340 N HN 0.251 nan 8.380 nan 0.000 0.481 341 M N 1.498 121.200 119.600 0.169 0.000 2.241 341 M HA 0.221 4.706 4.480 0.009 0.000 0.335 341 M C -0.444 176.048 176.300 0.321 0.000 1.122 341 M CA -0.537 54.939 55.300 0.293 0.000 1.164 341 M CB 1.981 34.831 32.600 0.416 0.000 1.459 341 M HN 0.168 nan 8.290 nan 0.000 0.461 342 L N 3.310 124.699 121.223 0.276 0.000 2.307 342 L HA 0.494 4.839 4.340 0.009 0.000 0.282 342 L C -1.204 175.789 176.870 0.205 0.000 1.051 342 L CA -0.839 54.131 54.840 0.217 0.000 0.804 342 L CB 1.120 43.253 42.059 0.122 0.000 1.197 342 L HN 0.582 nan 8.230 nan 0.000 0.431 343 L N 5.229 126.554 121.223 0.170 0.000 2.265 343 L HA 0.449 4.794 4.340 0.009 0.000 0.289 343 L C -0.509 176.350 176.870 -0.018 0.000 1.033 343 L CA 0.180 54.980 54.840 -0.066 0.000 0.814 343 L CB 1.200 43.190 42.059 -0.115 0.000 1.203 343 L HN 0.630 nan 8.230 nan 0.000 0.423 344 E N 6.463 126.572 120.200 -0.152 0.000 2.133 344 E HA 0.401 4.756 4.350 0.009 0.000 0.274 344 E C -1.537 174.959 176.600 -0.173 0.000 0.930 344 E CA -0.436 55.902 56.400 -0.103 0.000 0.770 344 E CB 1.073 30.717 29.700 -0.093 0.000 1.104 344 E HN 0.742 nan 8.360 nan 0.000 0.403 345 I N 2.566 123.043 120.570 -0.155 0.000 2.478 345 I HA 0.253 4.428 4.170 0.009 0.000 0.287 345 I C 0.840 176.748 176.117 -0.349 0.000 1.042 345 I CA -0.758 60.317 61.300 -0.375 0.000 1.067 345 I CB 2.032 39.737 38.000 -0.492 0.000 1.233 345 I HN 0.790 nan 8.210 nan 0.000 0.431 346 G N 4.252 112.870 108.800 -0.305 0.000 2.416 346 G HA2 -0.124 3.841 3.960 0.009 0.000 0.301 346 G HA3 -0.124 3.841 3.960 0.009 0.000 0.301 346 G C 1.048 176.040 174.900 0.154 0.000 0.985 346 G CA 0.974 46.120 45.100 0.078 0.000 0.934 346 G HN 1.574 nan 8.290 nan 0.000 0.513 347 G N -2.207 106.622 108.800 0.048 0.000 2.195 347 G HA2 -0.232 3.733 3.960 0.009 0.000 0.246 347 G HA3 -0.232 3.733 3.960 0.009 0.000 0.246 347 G C 0.468 175.361 174.900 -0.011 0.000 0.984 347 G CA 0.454 45.584 45.100 0.050 0.000 0.633 347 G HN 1.199 nan 8.290 nan 0.000 0.525 348 L N 0.417 121.591 121.223 -0.082 0.000 2.379 348 L HA 0.689 5.034 4.340 0.009 0.000 0.269 348 L C 0.342 177.066 176.870 -0.242 0.000 1.084 348 L CA -0.513 54.189 54.840 -0.230 0.000 0.802 348 L CB 1.361 43.201 42.059 -0.364 0.000 1.175 348 L HN 0.144 nan 8.230 nan 0.000 0.448 349 E N 1.871 121.841 120.200 -0.383 0.000 2.216 349 E HA 0.347 4.702 4.350 0.009 0.000 0.260 349 E C -1.580 174.778 176.600 -0.403 0.000 0.880 349 E CA -0.365 55.880 56.400 -0.258 0.000 0.765 349 E CB 1.565 31.181 29.700 -0.140 0.000 1.174 349 E HN 0.266 nan 8.360 nan 0.000 0.417 350 F N 2.267 122.201 119.950 -0.027 0.000 2.293 350 F HA 0.104 4.637 4.527 0.010 0.000 0.370 350 F C 1.513 177.357 175.800 0.073 0.000 1.090 350 F CA -0.347 57.663 58.000 0.017 0.000 1.133 350 F CB 1.194 40.184 39.000 -0.017 0.000 1.360 350 F HN 0.432 nan 8.300 nan 0.000 0.489 351 S N 1.521 117.338 115.700 0.195 0.000 2.428 351 S HA 0.179 4.654 4.470 0.009 0.000 0.230 351 S C 0.865 175.603 174.600 0.230 0.000 1.014 351 S CA 0.330 58.636 58.200 0.177 0.000 0.957 351 S CB 0.077 63.357 63.200 0.134 0.000 0.784 351 S HN 0.466 nan 8.310 nan 0.000 0.499 352 A N 0.579 123.580 122.820 0.301 0.000 2.310 352 A HA 0.843 5.168 4.320 0.009 0.000 0.304 352 A C -0.074 177.760 177.584 0.417 0.000 1.231 352 A CA -0.243 51.988 52.037 0.324 0.000 0.799 352 A CB 0.951 20.115 19.000 0.273 0.000 1.162 352 A HN 1.015 nan 8.150 nan 0.000 0.486 353 A N 4.195 127.223 122.820 0.347 0.000 3.464 353 A HA 0.582 4.907 4.320 0.009 0.000 0.243 353 A C -2.959 174.792 177.584 0.279 0.000 1.100 353 A CA -0.834 51.376 52.037 0.289 0.000 0.957 353 A CB 0.173 19.333 19.000 0.267 0.000 1.340 353 A HN 0.542 nan 8.150 nan 0.000 0.645 354 P HA 0.348 nan 4.420 nan 0.000 0.264 354 P C -0.649 176.659 177.300 0.013 0.000 1.183 354 P CA 0.636 63.708 63.100 -0.046 0.000 0.763 354 P CB 0.073 31.674 31.700 -0.165 0.000 0.807 355 F N -0.336 119.549 119.950 -0.108 0.000 2.588 355 F HA 0.773 5.305 4.527 0.008 0.000 0.314 355 F C -0.588 175.142 175.800 -0.116 0.000 1.069 355 F CA -1.120 56.827 58.000 -0.089 0.000 0.931 355 F CB 1.650 40.495 39.000 -0.260 0.000 1.260 355 F HN 0.375 nan 8.300 nan 0.000 0.465 356 S N 0.260 116.039 115.700 0.131 0.000 2.564 356 S HA 0.959 5.434 4.470 0.009 0.000 0.274 356 S C -0.633 173.926 174.600 -0.069 0.000 1.124 356 S CA -0.252 57.954 58.200 0.010 0.000 0.869 356 S CB 1.520 64.801 63.200 0.136 0.000 1.105 356 S HN 1.376 nan 8.310 nan 0.000 0.472 357 G N -0.111 108.597 108.800 -0.153 0.000 3.366 357 G HA2 0.731 4.696 3.960 0.009 0.000 0.179 357 G HA3 0.731 4.696 3.960 0.009 0.000 0.179 357 G C -1.612 173.268 174.900 -0.033 0.000 1.143 357 G CA -0.533 44.408 45.100 -0.265 0.000 0.810 357 G HN 1.018 nan 8.290 nan 0.000 0.697 358 W N -1.332 119.979 121.300 0.018 0.000 2.950 358 W HA 0.806 5.470 4.660 0.007 0.000 0.340 358 W C -1.589 174.951 176.519 0.035 0.000 1.139 358 W CA -2.094 55.273 57.345 0.037 0.000 1.188 358 W CB 0.513 30.035 29.460 0.103 0.000 1.426 358 W HN 0.367 nan 8.180 nan 0.000 0.531 359 Y N 2.800 123.282 120.300 0.304 0.000 2.480 359 Y HA 0.184 4.740 4.550 0.010 0.000 0.338 359 Y C 0.874 176.842 175.900 0.112 0.000 1.220 359 Y CA -0.649 57.525 58.100 0.125 0.000 1.430 359 Y CB 0.922 39.388 38.460 0.010 0.000 1.311 359 Y HN 0.483 nan 8.280 nan 0.000 0.575 360 M N 2.297 122.054 119.600 0.262 0.000 2.233 360 M HA 0.187 4.673 4.480 0.009 0.000 0.355 360 M C 1.139 177.429 176.300 -0.016 0.000 1.191 360 M CA -0.102 55.274 55.300 0.126 0.000 1.101 360 M CB 1.022 33.680 32.600 0.097 0.000 1.592 360 M HN 0.812 nan 8.290 nan 0.000 0.461 361 S N 1.253 116.912 115.700 -0.069 0.000 2.387 361 S HA -0.193 4.282 4.470 0.009 0.000 0.230 361 S C 1.603 176.063 174.600 -0.232 0.000 1.035 361 S CA 2.041 60.121 58.200 -0.199 0.000 1.014 361 S CB -1.407 61.722 63.200 -0.117 0.000 0.836 361 S HN 0.939 nan 8.310 nan 0.000 0.466 362 T N 0.471 114.921 114.554 -0.174 0.000 2.803 362 T HA -0.115 4.240 4.350 0.009 0.000 0.269 362 T C 1.596 176.143 174.700 -0.255 0.000 1.052 362 T CA 1.419 63.371 62.100 -0.245 0.000 1.136 362 T CB -0.700 67.980 68.868 -0.313 0.000 0.864 362 T HN 0.612 nan 8.240 nan 0.000 0.467 363 E N 0.936 120.999 120.200 -0.228 0.000 2.058 363 E HA -0.061 4.294 4.350 0.009 0.000 0.194 363 E C 2.142 178.472 176.600 -0.450 0.000 0.997 363 E CA 1.552 57.811 56.400 -0.236 0.000 0.801 363 E CB -0.335 29.318 29.700 -0.079 0.000 0.746 363 E HN 0.607 nan 8.360 nan 0.000 0.450 364 I N 0.243 120.407 120.570 -0.677 0.000 2.270 364 I HA -0.077 4.098 4.170 0.009 0.000 0.239 364 I C 2.615 178.378 176.117 -0.590 0.000 1.080 364 I CA 1.046 61.781 61.300 -0.942 0.000 1.383 364 I CB -0.575 36.748 38.000 -1.129 0.000 1.097 364 I HN 0.114 nan 8.210 nan 0.000 0.420 365 G N 0.042 108.596 108.800 -0.409 0.000 2.422 365 G HA2 -0.158 3.807 3.960 0.009 0.000 0.218 365 G HA3 -0.158 3.807 3.960 0.009 0.000 0.218 365 G C 1.618 176.404 174.900 -0.190 0.000 1.140 365 G CA 1.459 46.414 45.100 -0.241 0.000 0.775 365 G HN 0.302 nan 8.290 nan 0.000 0.545 366 T N -0.117 114.303 114.554 -0.222 0.000 2.980 366 T HA 0.104 4.459 4.350 0.009 0.000 0.239 366 T C 2.526 177.122 174.700 -0.174 0.000 1.011 366 T CA 0.242 62.233 62.100 -0.181 0.000 1.171 366 T CB 0.094 68.842 68.868 -0.201 0.000 0.873 366 T HN 0.015 nan 8.240 nan 0.000 0.431 367 R N 2.048 122.426 120.500 -0.204 0.000 2.056 367 R HA 0.141 4.486 4.340 0.009 0.000 0.227 367 R C 2.193 178.387 176.300 -0.175 0.000 1.149 367 R CA 1.075 57.072 56.100 -0.173 0.000 0.937 367 R CB -1.258 28.950 30.300 -0.153 0.000 0.835 367 R HN 0.333 nan 8.270 nan 0.000 0.430 368 N N 1.171 119.723 118.700 -0.248 0.000 2.104 368 N HA -0.129 4.617 4.740 0.009 0.000 0.190 368 N C 1.989 177.450 175.510 -0.081 0.000 1.024 368 N CA 1.199 54.117 53.050 -0.218 0.000 0.853 368 N CB -0.312 37.780 38.487 -0.658 0.000 1.008 368 N HN 0.203 nan 8.380 nan 0.000 0.424 369 L N -0.809 120.311 121.223 -0.172 0.000 2.298 369 L HA 0.084 4.429 4.340 0.009 0.000 0.209 369 L C 1.564 178.459 176.870 0.042 0.000 1.084 369 L CA 0.404 55.231 54.840 -0.022 0.000 0.816 369 L CB 0.153 42.173 42.059 -0.064 0.000 0.967 369 L HN 0.154 nan 8.230 nan 0.000 0.460 370 C N -1.617 117.670 119.300 -0.021 0.000 2.865 370 C HA 0.152 4.617 4.460 0.009 0.000 0.280 370 C C 0.716 175.698 174.990 -0.014 0.000 1.255 370 C CA -0.923 58.094 59.018 -0.003 0.000 1.705 370 C CB -0.340 27.387 27.740 -0.022 0.000 2.080 370 C HN 0.302 nan 8.230 nan 0.000 0.591 371 D N 2.479 122.842 120.400 -0.062 0.000 2.525 371 D HA 0.051 4.697 4.640 0.009 0.000 0.235 371 D C -1.446 174.844 176.300 -0.016 0.000 1.137 371 D CA -0.959 52.992 54.000 -0.082 0.000 0.868 371 D CB 0.596 41.197 40.800 -0.331 0.000 1.180 371 D HN 0.165 nan 8.370 nan 0.000 0.465 372 P HA -0.119 nan 4.420 nan 0.000 0.220 372 P C 0.740 178.130 177.300 0.150 0.000 1.148 372 P CA 1.122 64.301 63.100 0.131 0.000 0.803 372 P CB -0.005 31.778 31.700 0.139 0.000 0.782 373 H N -2.316 116.761 119.070 0.012 0.000 2.524 373 H HA 0.321 4.882 4.556 0.009 0.000 0.280 373 H C 0.877 176.209 175.328 0.007 0.000 1.018 373 H CA -0.004 56.048 56.048 0.007 0.000 1.165 373 H CB -0.107 29.659 29.762 0.006 0.000 1.411 373 H HN 0.007 nan 8.280 nan 0.000 0.569 374 R N -0.283 120.110 120.500 -0.179 0.000 3.066 374 R HA 0.172 4.517 4.340 0.009 0.000 0.143 374 R C 1.157 177.423 176.300 -0.057 0.000 1.187 374 R CA -0.744 55.283 56.100 -0.121 0.000 0.722 374 R CB -0.773 29.474 30.300 -0.088 0.000 1.366 374 R HN 0.088 nan 8.270 nan 0.000 0.421 375 Y N 1.686 121.993 120.300 0.011 0.000 2.333 375 Y HA -0.096 4.460 4.550 0.009 0.000 0.290 375 Y C 0.864 176.783 175.900 0.032 0.000 1.144 375 Y CA 1.554 59.677 58.100 0.039 0.000 1.228 375 Y CB -0.193 38.325 38.460 0.096 0.000 0.985 375 Y HN 0.575 nan 8.280 nan 0.000 0.542 376 N N 0.677 119.466 118.700 0.148 0.000 2.727 376 N HA -0.220 4.525 4.740 0.009 0.000 0.251 376 N C 0.471 176.055 175.510 0.123 0.000 1.040 376 N CA 0.407 53.519 53.050 0.103 0.000 0.712 376 N CB -1.107 37.425 38.487 0.075 0.000 0.912 376 N HN 0.639 nan 8.380 nan 0.000 0.545 377 I N -3.385 117.267 120.570 0.136 0.000 3.860 377 I HA 0.015 4.190 4.170 0.009 0.000 0.319 377 I C 1.788 177.988 176.117 0.139 0.000 1.279 377 I CA -0.431 60.948 61.300 0.132 0.000 1.220 377 I CB -0.037 38.043 38.000 0.132 0.000 1.027 377 I HN 0.047 nan 8.210 nan 0.000 0.428 378 L N 1.909 123.225 121.223 0.155 0.000 2.030 378 L HA -0.297 4.048 4.340 0.009 0.000 0.222 378 L C 2.635 179.686 176.870 0.303 0.000 1.082 378 L CA 2.274 57.242 54.840 0.212 0.000 0.785 378 L CB -1.398 40.769 42.059 0.180 0.000 0.895 378 L HN 0.540 nan 8.230 nan 0.000 0.439 379 E N -1.195 119.180 120.200 0.291 0.000 2.106 379 E HA -0.204 4.151 4.350 0.009 0.000 0.192 379 E C 1.669 178.293 176.600 0.041 0.000 0.984 379 E CA 1.077 57.584 56.400 0.178 0.000 0.806 379 E CB 0.135 29.896 29.700 0.101 0.000 0.750 379 E HN 0.488 nan 8.360 nan 0.000 0.458 380 D N -0.158 120.269 120.400 0.045 0.000 2.117 380 D HA -0.124 4.521 4.640 0.009 0.000 0.198 380 D C 2.018 178.295 176.300 -0.040 0.000 0.982 380 D CA 0.816 54.807 54.000 -0.015 0.000 0.828 380 D CB -0.101 40.698 40.800 -0.000 0.000 0.967 380 D HN 0.103 nan 8.370 nan 0.000 0.464 381 V N 1.465 121.407 119.914 0.047 0.000 2.358 381 V HA -0.192 3.934 4.120 0.009 0.000 0.246 381 V C 2.544 178.683 176.094 0.075 0.000 1.047 381 V CA 1.687 64.050 62.300 0.105 0.000 1.035 381 V CB -0.778 31.192 31.823 0.245 0.000 0.658 381 V HN 0.164 nan 8.190 nan 0.000 0.452 382 A N -0.106 122.787 122.820 0.122 0.000 1.908 382 A HA -0.170 4.155 4.320 0.009 0.000 0.218 382 A C 2.382 179.931 177.584 -0.058 0.000 1.181 382 A CA 2.105 54.212 52.037 0.116 0.000 0.627 382 A CB -0.705 18.459 19.000 0.274 0.000 0.818 382 A HN 0.344 nan 8.150 nan 0.000 0.445 383 V N -0.687 119.144 119.914 -0.138 0.000 2.407 383 V HA -0.321 3.804 4.120 0.009 0.000 0.248 383 V C 2.583 178.504 176.094 -0.287 0.000 1.055 383 V CA 2.012 64.191 62.300 -0.202 0.000 1.049 383 V CB -1.093 30.616 31.823 -0.190 0.000 0.662 383 V HN 0.731 nan 8.190 nan 0.000 0.455 384 C N -0.462 118.579 119.300 -0.431 0.000 2.435 384 C HA -0.069 4.396 4.460 0.009 0.000 0.279 384 C C 2.532 177.078 174.990 -0.740 0.000 1.321 384 C CA 0.642 59.125 59.018 -0.893 0.000 1.752 384 C CB -1.040 25.693 27.740 -1.678 0.000 1.959 384 C HN 0.517 nan 8.230 nan 0.000 0.500 385 M N 0.618 120.052 119.600 -0.276 0.000 2.618 385 M HA 0.031 4.516 4.480 0.009 0.000 0.240 385 M C 0.623 176.913 176.300 -0.017 0.000 1.123 385 M CA 0.824 56.142 55.300 0.029 0.000 1.060 385 M CB -0.648 32.052 32.600 0.167 0.000 1.535 385 M HN 0.328 nan 8.290 nan 0.000 0.507 386 D N 1.345 121.680 120.400 -0.108 0.000 2.708 386 D HA -0.172 4.473 4.640 0.009 0.000 0.236 386 D C -0.898 175.371 176.300 -0.052 0.000 1.146 386 D CA 0.496 54.442 54.000 -0.089 0.000 0.662 386 D CB -0.849 39.911 40.800 -0.066 0.000 1.059 386 D HN 0.357 nan 8.370 nan 0.000 0.428 387 L N -0.297 120.898 121.223 -0.047 0.000 2.439 387 L HA 0.374 4.720 4.340 0.009 0.000 0.259 387 L C 0.950 177.759 176.870 -0.102 0.000 1.129 387 L CA -0.817 54.015 54.840 -0.014 0.000 0.803 387 L CB 0.553 42.665 42.059 0.089 0.000 1.161 387 L HN 0.015 nan 8.230 nan 0.000 0.462 388 D N 0.379 120.740 120.400 -0.066 0.000 2.374 388 D HA 0.036 4.681 4.640 0.009 0.000 0.240 388 D C 0.896 177.001 176.300 -0.324 0.000 1.229 388 D CA -0.139 53.784 54.000 -0.128 0.000 0.895 388 D CB 0.869 41.652 40.800 -0.029 0.000 1.046 388 D HN 0.590 nan 8.370 nan 0.000 0.498 389 T N 0.852 115.033 114.554 -0.623 0.000 3.129 389 T HA 0.093 4.448 4.350 0.009 0.000 0.251 389 T C 1.606 175.948 174.700 -0.598 0.000 1.117 389 T CA -0.037 61.269 62.100 -1.323 0.000 1.034 389 T CB 0.181 68.232 68.868 -1.361 0.000 0.968 389 T HN 0.124 nan 8.240 nan 0.000 0.526 390 R N 1.208 121.556 120.500 -0.254 0.000 2.193 390 R HA 0.177 4.522 4.340 0.009 0.000 0.213 390 R C 1.119 177.450 176.300 0.052 0.000 1.055 390 R CA 0.740 56.793 56.100 -0.078 0.000 0.995 390 R CB 0.011 30.276 30.300 -0.059 0.000 0.893 390 R HN 0.461 nan 8.270 nan 0.000 0.459 391 T N -2.054 112.581 114.554 0.134 0.000 2.893 391 T HA 0.162 4.517 4.350 0.009 0.000 0.293 391 T C 1.116 176.013 174.700 0.329 0.000 1.027 391 T CA -0.448 61.761 62.100 0.181 0.000 0.988 391 T CB 1.648 70.582 68.868 0.109 0.000 1.043 391 T HN 0.218 nan 8.240 nan 0.000 0.461 392 T N 0.727 115.416 114.554 0.225 0.000 2.867 392 T HA -0.067 4.288 4.350 0.009 0.000 0.268 392 T C 1.962 176.708 174.700 0.077 0.000 1.057 392 T CA 1.443 63.623 62.100 0.132 0.000 1.136 392 T CB -0.597 68.298 68.868 0.045 0.000 0.874 392 T HN 0.716 nan 8.240 nan 0.000 0.466 393 S N 1.741 117.497 115.700 0.093 0.000 2.607 393 S HA 0.050 4.525 4.470 0.009 0.000 0.224 393 S C 1.927 176.574 174.600 0.079 0.000 0.969 393 S CA 0.378 58.615 58.200 0.060 0.000 0.927 393 S CB -0.694 62.535 63.200 0.048 0.000 0.772 393 S HN 0.700 nan 8.310 nan 0.000 0.533 394 S N 1.494 117.279 115.700 0.142 0.000 2.558 394 S HA 0.273 4.749 4.470 0.009 0.000 0.217 394 S C 0.959 175.643 174.600 0.140 0.000 0.975 394 S CA -0.011 58.284 58.200 0.158 0.000 0.912 394 S CB -0.941 62.396 63.200 0.229 0.000 0.776 394 S HN 0.587 nan 8.310 nan 0.000 0.526 395 L N 0.862 122.124 121.223 0.064 0.000 4.001 395 L HA -0.200 4.145 4.340 0.009 0.000 0.413 395 L C 1.813 178.677 176.870 -0.011 0.000 1.185 395 L CA 0.782 55.601 54.840 -0.036 0.000 0.963 395 L CB -2.475 39.578 42.059 -0.010 0.000 1.976 395 L HN 0.733 nan 8.230 nan 0.000 0.939 396 W N 0.319 121.630 121.300 0.017 0.000 2.325 396 W HA -0.218 4.448 4.660 0.009 0.000 0.299 396 W C 1.745 178.280 176.519 0.026 0.000 1.215 396 W CA 1.572 58.930 57.345 0.021 0.000 1.244 396 W CB -0.819 28.650 29.460 0.014 0.000 1.140 396 W HN 0.303 nan 8.180 nan 0.000 0.523 397 K N 0.939 120.936 120.400 -0.671 0.000 2.057 397 K HA -0.142 4.184 4.320 0.009 0.000 0.206 397 K C 1.549 178.023 176.600 -0.211 0.000 1.050 397 K CA 2.203 58.155 56.287 -0.559 0.000 0.935 397 K CB -0.358 31.640 32.500 -0.837 0.000 0.715 397 K HN 0.055 nan 8.250 nan 0.000 0.439 398 D N 0.827 121.118 120.400 -0.181 0.000 2.144 398 D HA -0.126 4.519 4.640 0.009 0.000 0.200 398 D C 1.615 177.908 176.300 -0.012 0.000 0.978 398 D CA 1.209 55.159 54.000 -0.084 0.000 0.833 398 D CB 0.036 40.792 40.800 -0.074 0.000 0.961 398 D HN 0.155 nan 8.370 nan 0.000 0.470 399 K N 0.749 121.166 120.400 0.028 0.000 2.025 399 K HA 0.037 4.362 4.320 0.009 0.000 0.207 399 K C 2.266 178.929 176.600 0.104 0.000 1.049 399 K CA 1.112 57.445 56.287 0.076 0.000 0.933 399 K CB -0.190 32.373 32.500 0.106 0.000 0.714 399 K HN 0.076 nan 8.250 nan 0.000 0.438 400 A N 1.900 124.802 122.820 0.138 0.000 1.877 400 A HA -0.150 4.175 4.320 0.009 0.000 0.216 400 A C 2.458 180.123 177.584 0.135 0.000 1.186 400 A CA 1.950 54.094 52.037 0.178 0.000 0.620 400 A CB -0.883 18.259 19.000 0.236 0.000 0.822 400 A HN 0.336 nan 8.150 nan 0.000 0.443 401 A N -0.560 122.300 122.820 0.067 0.000 1.873 401 A HA -0.088 4.237 4.320 0.009 0.000 0.218 401 A C 2.247 179.850 177.584 0.031 0.000 1.193 401 A CA 2.008 54.062 52.037 0.029 0.000 0.629 401 A CB -1.160 17.821 19.000 -0.032 0.000 0.826 401 A HN 0.461 nan 8.150 nan 0.000 0.447 402 V N 0.389 120.323 119.914 0.034 0.000 2.332 402 V HA -0.238 3.887 4.120 0.009 0.000 0.248 402 V C 2.550 178.681 176.094 0.063 0.000 1.055 402 V CA 2.261 64.587 62.300 0.044 0.000 1.038 402 V CB -0.700 31.155 31.823 0.053 0.000 0.651 402 V HN 0.550 nan 8.190 nan 0.000 0.450 403 E N -0.388 119.869 120.200 0.094 0.000 2.152 403 E HA -0.083 4.272 4.350 0.009 0.000 0.192 403 E C 2.108 178.762 176.600 0.090 0.000 0.983 403 E CA 0.957 57.433 56.400 0.126 0.000 0.818 403 E CB -0.186 29.584 29.700 0.116 0.000 0.758 403 E HN 0.587 nan 8.360 nan 0.000 0.467 404 I N 1.785 122.428 120.570 0.122 0.000 2.163 404 I HA -0.268 3.907 4.170 0.009 0.000 0.240 404 I C 2.161 178.280 176.117 0.004 0.000 1.081 404 I CA 0.890 62.271 61.300 0.135 0.000 1.353 404 I CB -0.353 37.765 38.000 0.196 0.000 1.054 404 I HN 0.049 nan 8.210 nan 0.000 0.407 405 N N 0.743 119.433 118.700 -0.016 0.000 2.094 405 N HA -0.224 4.521 4.740 0.009 0.000 0.191 405 N C 1.935 177.414 175.510 -0.051 0.000 1.023 405 N CA 1.444 54.462 53.050 -0.053 0.000 0.857 405 N CB -0.377 38.085 38.487 -0.041 0.000 1.013 405 N HN 0.194 nan 8.380 nan 0.000 0.426 406 L N 1.547 122.745 121.223 -0.042 0.000 2.042 406 L HA -0.109 4.236 4.340 0.009 0.000 0.210 406 L C 2.316 179.080 176.870 -0.177 0.000 1.076 406 L CA 1.596 56.378 54.840 -0.097 0.000 0.749 406 L CB -0.924 41.065 42.059 -0.117 0.000 0.893 406 L HN 0.102 nan 8.230 nan 0.000 0.432 407 A N -1.202 121.473 122.820 -0.242 0.000 1.883 407 A HA -0.183 4.143 4.320 0.009 0.000 0.217 407 A C 2.295 179.817 177.584 -0.103 0.000 1.186 407 A CA 2.166 54.001 52.037 -0.337 0.000 0.624 407 A CB -1.195 17.324 19.000 -0.802 0.000 0.822 407 A HN 0.304 nan 8.150 nan 0.000 0.444 408 V N -0.114 119.758 119.914 -0.070 0.000 2.255 408 V HA -0.296 3.829 4.120 0.009 0.000 0.247 408 V C 2.601 178.700 176.094 0.009 0.000 1.051 408 V CA 2.160 64.449 62.300 -0.018 0.000 1.018 408 V CB -0.794 30.933 31.823 -0.159 0.000 0.641 408 V HN 0.573 nan 8.190 nan 0.000 0.445 409 L N -0.698 120.498 121.223 -0.046 0.000 1.989 409 L HA -0.256 4.089 4.340 0.009 0.000 0.211 409 L C 2.612 179.525 176.870 0.073 0.000 1.071 409 L CA 2.334 57.168 54.840 -0.011 0.000 0.749 409 L CB -0.773 41.278 42.059 -0.013 0.000 0.890 409 L HN 0.471 nan 8.230 nan 0.000 0.431 410 H N -0.787 118.250 119.070 -0.055 0.000 2.387 410 H HA -0.150 4.411 4.556 0.009 0.000 0.299 410 H C 2.289 177.615 175.328 -0.003 0.000 1.099 410 H CA 1.911 57.918 56.048 -0.068 0.000 1.315 410 H CB 0.121 29.776 29.762 -0.178 0.000 1.380 410 H HN 0.202 nan 8.280 nan 0.000 0.513 411 S N -0.542 115.196 115.700 0.064 0.000 2.387 411 S HA -0.065 4.410 4.470 0.009 0.000 0.226 411 S C 1.727 176.366 174.600 0.065 0.000 1.026 411 S CA 0.958 59.182 58.200 0.041 0.000 0.972 411 S CB -0.280 63.001 63.200 0.135 0.000 0.814 411 S HN 0.323 nan 8.310 nan 0.000 0.477 412 F N 2.115 122.032 119.950 -0.055 0.000 2.146 412 F HA -0.040 4.492 4.527 0.008 0.000 0.298 412 F C 2.592 178.351 175.800 -0.067 0.000 1.096 412 F CA 0.822 58.805 58.000 -0.028 0.000 1.275 412 F CB -0.786 38.225 39.000 0.018 0.000 1.008 412 F HN 0.203 nan 8.300 nan 0.000 0.480 413 Q N -0.484 119.365 119.800 0.082 0.000 2.119 413 Q HA -0.178 4.167 4.340 0.009 0.000 0.201 413 Q C 2.207 178.147 176.000 -0.100 0.000 0.972 413 Q CA 1.258 57.049 55.803 -0.020 0.000 0.847 413 Q CB -0.470 28.247 28.738 -0.036 0.000 0.903 413 Q HN 0.336 nan 8.270 nan 0.000 0.433 414 L N 0.688 121.792 121.223 -0.199 0.000 2.017 414 L HA -0.103 4.242 4.340 0.009 0.000 0.208 414 L C 1.985 178.776 176.870 -0.132 0.000 1.073 414 L CA 2.184 56.895 54.840 -0.215 0.000 0.745 414 L CB -0.737 41.129 42.059 -0.322 0.000 0.894 414 L HN 0.121 nan 8.230 nan 0.000 0.432 415 A N -1.230 121.514 122.820 -0.126 0.000 2.239 415 A HA -0.039 4.286 4.320 0.009 0.000 0.209 415 A C 1.052 178.580 177.584 -0.092 0.000 1.171 415 A CA 0.452 52.418 52.037 -0.119 0.000 0.768 415 A CB -0.648 18.245 19.000 -0.179 0.000 0.790 415 A HN 0.536 nan 8.150 nan 0.000 0.478 416 K N -1.130 119.229 120.400 -0.069 0.000 3.257 416 K HA -0.127 4.199 4.320 0.009 0.000 0.270 416 K C -0.930 175.651 176.600 -0.033 0.000 0.984 416 K CA 0.633 56.892 56.287 -0.047 0.000 0.739 416 K CB -1.886 30.584 32.500 -0.051 0.000 1.351 416 K HN 0.231 nan 8.250 nan 0.000 0.463 417 V N 1.346 121.260 119.914 0.000 0.000 2.409 417 V HA 0.126 4.251 4.120 0.009 0.000 0.291 417 V C 0.672 176.870 176.094 0.173 0.000 1.020 417 V CA -0.753 61.581 62.300 0.057 0.000 0.848 417 V CB 1.902 33.699 31.823 -0.043 0.000 0.990 417 V HN 0.304 nan 8.190 nan 0.000 0.430 418 T N 6.540 121.141 114.554 0.078 0.000 2.891 418 T HA 0.275 4.630 4.350 0.009 0.000 0.296 418 T C -0.237 174.549 174.700 0.143 0.000 1.025 418 T CA 1.150 63.230 62.100 -0.034 0.000 1.149 418 T CB -0.067 68.650 68.868 -0.252 0.000 1.007 418 T HN 0.588 nan 8.240 nan 0.000 0.528 419 I N 2.552 123.153 120.570 0.051 0.000 2.908 419 I HA 0.632 4.808 4.170 0.009 0.000 0.300 419 I C -1.592 174.573 176.117 0.080 0.000 1.385 419 I CA -0.918 60.453 61.300 0.118 0.000 1.004 419 I CB 1.901 39.889 38.000 -0.019 0.000 1.309 419 I HN 0.445 nan 8.210 nan 0.000 0.449 420 V N 4.974 124.992 119.914 0.172 0.000 2.709 420 V HA 0.503 4.628 4.120 0.009 0.000 0.308 420 V C -1.267 174.890 176.094 0.105 0.000 1.062 420 V CA -0.301 62.089 62.300 0.150 0.000 0.901 420 V CB 2.220 34.203 31.823 0.267 0.000 1.003 420 V HN 0.879 nan 8.190 nan 0.000 0.425 421 D N 3.957 124.399 120.400 0.069 0.000 2.329 421 D HA 0.178 4.823 4.640 0.009 0.000 0.246 421 D C 1.228 177.540 176.300 0.021 0.000 1.111 421 D CA 0.162 54.191 54.000 0.049 0.000 0.941 421 D CB 0.574 41.380 40.800 0.010 0.000 1.169 421 D HN 0.725 nan 8.370 nan 0.000 0.441 422 H N 0.521 119.531 119.070 -0.099 0.000 2.491 422 H HA -0.130 4.432 4.556 0.009 0.000 0.290 422 H C 0.909 176.132 175.328 -0.176 0.000 1.050 422 H CA 1.261 57.212 56.048 -0.162 0.000 1.309 422 H CB -0.544 29.069 29.762 -0.249 0.000 1.392 422 H HN 0.543 nan 8.280 nan 0.000 0.554 423 H N 1.186 120.064 119.070 -0.319 0.000 2.307 423 H HA 0.113 4.674 4.556 0.008 0.000 0.303 423 H C 2.531 177.841 175.328 -0.029 0.000 1.073 423 H CA 1.279 57.230 56.048 -0.160 0.000 1.338 423 H CB -0.285 29.357 29.762 -0.200 0.000 1.389 423 H HN 0.493 nan 8.280 nan 0.000 0.503 424 A N 1.685 124.564 122.820 0.097 0.000 1.877 424 A HA -0.110 4.215 4.320 0.009 0.000 0.216 424 A C 2.738 180.396 177.584 0.123 0.000 1.186 424 A CA 1.897 53.994 52.037 0.100 0.000 0.620 424 A CB -0.989 18.061 19.000 0.084 0.000 0.822 424 A HN 0.436 nan 8.150 nan 0.000 0.443 425 A N -0.234 122.660 122.820 0.124 0.000 1.892 425 A HA -0.196 4.130 4.320 0.009 0.000 0.218 425 A C 2.452 180.136 177.584 0.166 0.000 1.188 425 A CA 2.989 55.117 52.037 0.152 0.000 0.631 425 A CB -1.539 17.541 19.000 0.133 0.000 0.822 425 A HN 0.802 nan 8.150 nan 0.000 0.447 426 T N -2.760 111.876 114.554 0.136 0.000 2.904 426 T HA -0.032 4.323 4.350 0.009 0.000 0.267 426 T C 1.691 176.520 174.700 0.216 0.000 1.059 426 T CA 1.180 63.383 62.100 0.172 0.000 1.137 426 T CB -0.706 68.230 68.868 0.114 0.000 0.879 426 T HN 0.076 nan 8.240 nan 0.000 0.467 427 V N 2.987 123.001 119.914 0.167 0.000 2.287 427 V HA -0.208 3.917 4.120 0.009 0.000 0.248 427 V C 3.234 179.419 176.094 0.151 0.000 1.053 427 V CA 2.254 64.642 62.300 0.147 0.000 1.027 427 V CB -1.129 30.764 31.823 0.116 0.000 0.646 427 V HN 0.791 nan 8.190 nan 0.000 0.447 428 S N -0.240 115.560 115.700 0.166 0.000 2.383 428 S HA -0.224 4.252 4.470 0.009 0.000 0.227 428 S C 1.981 176.705 174.600 0.206 0.000 1.026 428 S CA 1.505 59.805 58.200 0.166 0.000 0.981 428 S CB -0.817 62.487 63.200 0.174 0.000 0.818 428 S HN 0.482 nan 8.310 nan 0.000 0.472 429 F N 2.471 122.486 119.950 0.108 0.000 2.161 429 F HA -0.048 4.484 4.527 0.008 0.000 0.300 429 F C 2.306 178.197 175.800 0.152 0.000 1.089 429 F CA 1.486 59.560 58.000 0.124 0.000 1.282 429 F CB -0.358 38.693 39.000 0.084 0.000 1.010 429 F HN 0.113 nan 8.300 nan 0.000 0.485 430 M N -0.017 119.648 119.600 0.108 0.000 2.117 430 M HA -0.191 4.294 4.480 0.009 0.000 0.262 430 M C 2.194 178.467 176.300 -0.046 0.000 1.065 430 M CA 1.587 56.897 55.300 0.016 0.000 1.114 430 M CB -1.277 31.383 32.600 0.100 0.000 1.361 430 M HN 0.083 nan 8.290 nan 0.000 0.408 431 K N -0.206 120.199 120.400 0.008 0.000 2.097 431 K HA -0.190 4.135 4.320 0.009 0.000 0.205 431 K C 1.945 178.529 176.600 -0.028 0.000 1.050 431 K CA 1.707 57.998 56.287 0.006 0.000 0.938 431 K CB -0.643 31.886 32.500 0.048 0.000 0.718 431 K HN 0.394 nan 8.250 nan 0.000 0.442 432 H N 0.061 119.048 119.070 -0.139 0.000 2.352 432 H HA -0.027 4.534 4.556 0.008 0.000 0.299 432 H C 1.708 176.875 175.328 -0.269 0.000 1.097 432 H CA 2.255 58.192 56.048 -0.184 0.000 1.311 432 H CB -0.195 29.434 29.762 -0.222 0.000 1.377 432 H HN 0.172 nan 8.280 nan 0.000 0.504 433 L N -0.151 120.795 121.223 -0.461 0.000 2.042 433 L HA -0.204 4.141 4.340 0.009 0.000 0.210 433 L C 2.358 179.074 176.870 -0.257 0.000 1.076 433 L CA 1.956 56.553 54.840 -0.405 0.000 0.749 433 L CB -0.492 41.382 42.059 -0.308 0.000 0.893 433 L HN 0.450 nan 8.230 nan 0.000 0.432 434 D N -0.311 119.984 120.400 -0.175 0.000 2.117 434 D HA -0.195 4.450 4.640 0.009 0.000 0.198 434 D C 1.898 178.127 176.300 -0.117 0.000 0.982 434 D CA 1.243 55.177 54.000 -0.111 0.000 0.828 434 D CB 0.065 40.827 40.800 -0.063 0.000 0.967 434 D HN 0.160 nan 8.370 nan 0.000 0.464 435 N N 0.626 119.246 118.700 -0.134 0.000 2.061 435 N HA -0.158 4.587 4.740 0.009 0.000 0.193 435 N C 1.586 177.010 175.510 -0.145 0.000 1.030 435 N CA 1.076 54.061 53.050 -0.108 0.000 0.856 435 N CB -0.331 38.118 38.487 -0.064 0.000 1.023 435 N HN 0.412 nan 8.380 nan 0.000 0.424 436 E N 0.488 120.522 120.200 -0.276 0.000 2.208 436 E HA -0.129 4.226 4.350 0.009 0.000 0.193 436 E C 1.855 178.361 176.600 -0.156 0.000 0.988 436 E CA 0.377 56.621 56.400 -0.259 0.000 0.828 436 E CB -0.046 29.404 29.700 -0.417 0.000 0.763 436 E HN 0.347 nan 8.360 nan 0.000 0.478 437 Q N 1.647 121.366 119.800 -0.135 0.000 2.061 437 Q HA -0.145 4.200 4.340 0.009 0.000 0.204 437 Q C 1.860 177.819 176.000 -0.068 0.000 0.984 437 Q CA 1.732 57.484 55.803 -0.085 0.000 0.846 437 Q CB 0.063 28.760 28.738 -0.068 0.000 0.902 437 Q HN 0.130 nan 8.270 nan 0.000 0.421 438 K N -0.591 119.770 120.400 -0.064 0.000 2.002 438 K HA -0.068 4.257 4.320 0.009 0.000 0.209 438 K C 2.113 178.688 176.600 -0.042 0.000 1.048 438 K CA 1.213 57.472 56.287 -0.046 0.000 0.930 438 K CB -0.347 32.132 32.500 -0.035 0.000 0.714 438 K HN 0.246 nan 8.250 nan 0.000 0.438 439 A N 1.350 124.145 122.820 -0.042 0.000 1.898 439 A HA -0.112 4.213 4.320 0.009 0.000 0.216 439 A C 1.907 179.470 177.584 -0.034 0.000 1.181 439 A CA 1.353 53.377 52.037 -0.023 0.000 0.620 439 A CB -0.102 18.900 19.000 0.004 0.000 0.819 439 A HN 0.206 nan 8.150 nan 0.000 0.442 440 R N -3.128 117.338 120.500 -0.057 0.000 2.517 440 R HA 0.248 4.593 4.340 0.009 0.000 0.265 440 R C 0.862 177.129 176.300 -0.055 0.000 0.921 440 R CA 0.573 56.641 56.100 -0.053 0.000 1.054 440 R CB 0.712 30.973 30.300 -0.065 0.000 1.340 440 R HN 0.725 nan 8.270 nan 0.000 0.551 441 G N 1.007 109.768 108.800 -0.064 0.000 2.149 441 G HA2 -0.163 3.803 3.960 0.009 0.000 0.235 441 G HA3 -0.163 3.803 3.960 0.009 0.000 0.235 441 G C 0.176 175.050 174.900 -0.042 0.000 1.018 441 G CA 0.100 45.157 45.100 -0.071 0.000 0.728 441 G HN 0.721 nan 8.290 nan 0.000 0.508 442 G N -2.430 106.354 108.800 -0.026 0.000 2.352 442 G HA2 0.535 4.500 3.960 0.009 0.000 0.302 442 G HA3 0.535 4.500 3.960 0.009 0.000 0.302 442 G C -0.810 174.106 174.900 0.026 0.000 1.370 442 G CA 0.339 45.459 45.100 0.034 0.000 0.918 442 G HN 1.936 nan 8.290 nan 0.000 0.610 443 C N 1.498 120.841 119.300 0.071 0.000 2.716 443 C HA 0.752 5.217 4.460 0.009 0.000 0.366 443 C C -2.704 172.264 174.990 -0.037 0.000 1.073 443 C CA -1.176 57.841 59.018 -0.002 0.000 1.260 443 C CB 1.197 28.892 27.740 -0.075 0.000 1.755 443 C HN 0.658 nan 8.230 nan 0.000 0.475 444 P HA 0.484 nan 4.420 nan 0.000 0.282 444 P C -0.782 176.413 177.300 -0.175 0.000 1.274 444 P CA 0.379 63.129 63.100 -0.583 0.000 0.770 444 P CB 0.982 32.164 31.700 -0.863 0.000 0.867 445 A N 2.451 125.230 122.820 -0.068 0.000 2.455 445 A HA 0.498 4.823 4.320 0.009 0.000 0.300 445 A C -1.217 176.411 177.584 0.074 0.000 1.040 445 A CA -0.482 51.607 52.037 0.086 0.000 0.697 445 A CB 1.226 20.399 19.000 0.289 0.000 1.265 445 A HN 0.399 nan 8.150 nan 0.000 0.407 446 D N 1.975 122.411 120.400 0.061 0.000 2.473 446 D HA 0.153 4.799 4.640 0.009 0.000 0.226 446 D C 0.838 177.269 176.300 0.218 0.000 1.089 446 D CA -0.550 53.525 54.000 0.125 0.000 0.883 446 D CB 0.318 41.143 40.800 0.041 0.000 1.029 446 D HN 0.585 nan 8.370 nan 0.000 0.517 447 W N 4.197 125.537 121.300 0.067 0.000 2.290 447 W HA -0.355 4.310 4.660 0.009 0.000 0.318 447 W C 1.888 178.433 176.519 0.044 0.000 1.248 447 W CA 2.704 60.071 57.345 0.037 0.000 1.263 447 W CB -0.009 29.448 29.460 -0.004 0.000 1.147 447 W HN 0.553 nan 8.180 nan 0.000 0.494 448 A N -1.828 121.246 122.820 0.424 0.000 2.067 448 A HA -0.131 4.194 4.320 0.009 0.000 0.219 448 A C 1.427 179.037 177.584 0.043 0.000 1.158 448 A CA 1.445 53.649 52.037 0.278 0.000 0.661 448 A CB -1.138 18.047 19.000 0.307 0.000 0.801 448 A HN 0.522 nan 8.150 nan 0.000 0.452 449 W N -0.891 120.383 121.300 -0.042 0.000 2.683 449 W HA 0.190 4.855 4.660 0.009 0.000 0.267 449 W C 1.841 178.257 176.519 -0.172 0.000 1.243 449 W CA -0.198 57.101 57.345 -0.076 0.000 1.380 449 W CB -0.111 29.330 29.460 -0.032 0.000 1.063 449 W HN 0.098 nan 8.180 nan 0.000 0.599 450 I N 0.261 120.812 120.570 -0.031 0.000 2.142 450 I HA -0.136 4.040 4.170 0.009 0.000 0.240 450 I C 0.834 176.768 176.117 -0.304 0.000 1.078 450 I CA 0.909 62.054 61.300 -0.258 0.000 1.343 450 I CB -1.672 36.095 38.000 -0.388 0.000 1.046 450 I HN -0.404 nan 8.210 nan 0.000 0.405 451 V N 4.149 123.792 119.914 -0.452 0.000 2.540 451 V HA 0.013 4.138 4.120 0.009 0.000 0.297 451 V C -1.839 174.086 176.094 -0.282 0.000 1.024 451 V CA -0.895 61.123 62.300 -0.470 0.000 1.105 451 V CB -0.274 31.016 31.823 -0.888 0.000 0.938 451 V HN 0.177 nan 8.190 nan 0.000 0.482 452 P HA 0.167 nan 4.420 nan 0.000 0.269 452 P C -1.987 175.189 177.300 -0.207 0.000 1.215 452 P CA -1.381 61.602 63.100 -0.195 0.000 0.780 452 P CB -0.002 31.586 31.700 -0.187 0.000 0.898 453 P HA 0.084 nan 4.420 nan 0.000 0.245 453 P C 0.190 177.379 177.300 -0.186 0.000 1.206 453 P CA 0.733 63.718 63.100 -0.191 0.000 0.781 453 P CB 0.082 31.668 31.700 -0.191 0.000 0.994 454 I N -5.965 114.453 120.570 -0.253 0.000 2.740 454 I HA 0.498 4.673 4.170 0.009 0.000 0.303 454 I C -0.054 175.951 176.117 -0.188 0.000 1.044 454 I CA -1.209 59.962 61.300 -0.214 0.000 1.064 454 I CB 1.904 39.763 38.000 -0.236 0.000 1.249 454 I HN -0.383 nan 8.210 nan 0.000 0.433 455 S N 2.208 117.856 115.700 -0.086 0.000 3.581 455 S HA -0.196 4.279 4.470 0.009 0.000 0.354 455 S C 1.320 175.892 174.600 -0.046 0.000 1.059 455 S CA 0.759 58.946 58.200 -0.021 0.000 1.060 455 S CB -1.801 61.464 63.200 0.109 0.000 0.908 455 S HN 1.230 nan 8.310 nan 0.000 0.475 456 G N 2.422 111.170 108.800 -0.086 0.000 2.545 456 G HA2 -0.290 3.675 3.960 0.009 0.000 0.217 456 G HA3 -0.290 3.675 3.960 0.009 0.000 0.217 456 G C 1.497 176.272 174.900 -0.208 0.000 1.218 456 G CA 1.463 46.526 45.100 -0.062 0.000 0.787 456 G HN 1.252 nan 8.290 nan 0.000 0.571 457 S N 0.039 115.341 115.700 -0.663 0.000 2.500 457 S HA 0.046 4.521 4.470 0.009 0.000 0.239 457 S C 1.982 176.463 174.600 -0.198 0.000 0.989 457 S CA 0.791 58.394 58.200 -0.995 0.000 0.951 457 S CB -0.119 62.383 63.200 -1.163 0.000 0.759 457 S HN 0.048 nan 8.310 nan 0.000 0.523 458 L N 2.459 123.643 121.223 -0.065 0.000 2.552 458 L HA 0.235 4.580 4.340 0.009 0.000 0.227 458 L C 1.263 178.234 176.870 0.168 0.000 1.146 458 L CA 0.672 55.567 54.840 0.092 0.000 0.858 458 L CB -1.370 40.771 42.059 0.136 0.000 0.969 458 L HN 0.616 nan 8.230 nan 0.000 0.451 459 T N -4.144 110.489 114.554 0.132 0.000 2.859 459 T HA 0.386 4.741 4.350 0.009 0.000 0.281 459 T C -1.695 173.142 174.700 0.229 0.000 1.005 459 T CA -1.935 60.262 62.100 0.162 0.000 1.025 459 T CB 2.013 70.933 68.868 0.087 0.000 0.977 459 T HN -0.140 nan 8.240 nan 0.000 0.458 460 P HA -0.067 nan 4.420 nan 0.000 0.222 460 P C 1.705 179.195 177.300 0.316 0.000 1.147 460 P CA 0.727 64.020 63.100 0.321 0.000 0.790 460 P CB -0.330 31.508 31.700 0.229 0.000 0.780 461 V N -4.447 115.597 119.914 0.217 0.000 2.809 461 V HA -0.121 4.004 4.120 0.009 0.000 0.256 461 V C 2.246 178.398 176.094 0.097 0.000 1.080 461 V CA 0.917 63.316 62.300 0.165 0.000 1.102 461 V CB -2.053 29.809 31.823 0.066 0.000 0.705 461 V HN -0.116 nan 8.190 nan 0.000 0.475 462 F N 1.873 121.750 119.950 -0.121 0.000 2.216 462 F HA -0.076 4.456 4.527 0.008 0.000 0.300 462 F C 2.344 178.241 175.800 0.163 0.000 1.085 462 F CA 1.903 59.827 58.000 -0.128 0.000 1.326 462 F CB -0.235 38.570 39.000 -0.324 0.000 1.027 462 F HN 0.290 nan 8.300 nan 0.000 0.497 463 H N -0.862 118.570 119.070 0.603 0.000 2.526 463 H HA 0.137 4.698 4.556 0.009 0.000 0.274 463 H C 0.190 175.794 175.328 0.459 0.000 0.999 463 H CA 0.151 56.511 56.048 0.519 0.000 1.157 463 H CB -0.150 29.879 29.762 0.445 0.000 1.407 463 H HN 0.251 nan 8.280 nan 0.000 0.568 464 Q N 2.019 122.118 119.800 0.498 0.000 2.347 464 Q HA 0.172 4.517 4.340 0.009 0.000 0.262 464 Q C -0.632 175.613 176.000 0.408 0.000 0.980 464 Q CA -0.479 55.565 55.803 0.402 0.000 0.867 464 Q CB 0.834 29.767 28.738 0.325 0.000 1.242 464 Q HN 0.229 nan 8.270 nan 0.000 0.453 465 E N 3.393 123.784 120.200 0.319 0.000 2.398 465 E HA 0.277 4.632 4.350 0.009 0.000 0.263 465 E C -0.513 176.225 176.600 0.229 0.000 1.046 465 E CA 0.320 56.859 56.400 0.231 0.000 0.908 465 E CB 0.807 30.616 29.700 0.182 0.000 0.963 465 E HN 0.592 nan 8.360 nan 0.000 0.431 466 M N 1.326 121.058 119.600 0.219 0.000 2.484 466 M HA 0.324 4.809 4.480 0.009 0.000 0.289 466 M C -1.366 175.040 176.300 0.177 0.000 1.206 466 M CA -0.933 54.501 55.300 0.222 0.000 0.892 466 M CB 2.472 35.252 32.600 0.299 0.000 1.712 466 M HN 0.168 nan 8.290 nan 0.000 0.462 467 V N 1.581 121.605 119.914 0.184 0.000 2.398 467 V HA 0.452 4.577 4.120 0.009 0.000 0.286 467 V C -0.587 175.610 176.094 0.171 0.000 1.026 467 V CA -0.695 61.742 62.300 0.228 0.000 0.868 467 V CB 1.503 33.538 31.823 0.353 0.000 0.982 467 V HN 0.892 nan 8.190 nan 0.000 0.443 468 N N 3.418 122.216 118.700 0.163 0.000 2.372 468 N HA 0.697 5.442 4.740 0.009 0.000 0.285 468 N C -1.643 173.943 175.510 0.127 0.000 1.008 468 N CA -0.452 52.608 53.050 0.017 0.000 0.880 468 N CB 1.762 40.272 38.487 0.038 0.000 1.239 468 N HN 0.772 nan 8.380 nan 0.000 0.484 469 Y N 0.885 121.203 120.300 0.029 0.000 2.677 469 Y HA 0.501 5.056 4.550 0.009 0.000 0.334 469 Y C -1.554 174.348 175.900 0.003 0.000 1.196 469 Y CA -1.162 56.949 58.100 0.018 0.000 1.059 469 Y CB 0.722 39.199 38.460 0.029 0.000 1.315 469 Y HN 0.175 nan 8.280 nan 0.000 0.455 470 I N 3.503 124.173 120.570 0.168 0.000 2.312 470 I HA 0.398 4.573 4.170 0.009 0.000 0.290 470 I C -0.691 175.495 176.117 0.114 0.000 1.008 470 I CA -0.426 60.911 61.300 0.061 0.000 1.226 470 I CB 1.049 39.063 38.000 0.023 0.000 1.371 470 I HN 0.442 nan 8.210 nan 0.000 0.468 471 L N 4.991 126.253 121.223 0.065 0.000 2.334 471 L HA 0.559 4.904 4.340 0.009 0.000 0.272 471 L C 0.124 177.004 176.870 0.015 0.000 1.020 471 L CA -0.510 54.373 54.840 0.071 0.000 0.812 471 L CB 2.004 44.106 42.059 0.072 0.000 1.264 471 L HN 0.548 nan 8.230 nan 0.000 0.439 472 S N 2.148 117.866 115.700 0.030 0.000 2.503 472 S HA 0.623 5.098 4.470 0.009 0.000 0.301 472 S C -2.540 172.086 174.600 0.043 0.000 1.087 472 S CA -1.459 56.746 58.200 0.009 0.000 1.042 472 S CB 1.812 65.029 63.200 0.028 0.000 1.043 472 S HN 0.231 nan 8.310 nan 0.000 0.489 473 P HA 0.365 nan 4.420 nan 0.000 0.269 473 P C -1.338 175.861 177.300 -0.169 0.000 1.211 473 P CA 0.022 63.050 63.100 -0.120 0.000 0.781 473 P CB 0.469 32.059 31.700 -0.183 0.000 0.877 474 A N 1.447 124.120 122.820 -0.246 0.000 2.574 474 A HA 0.634 4.959 4.320 0.009 0.000 0.297 474 A C -1.345 176.026 177.584 -0.355 0.000 1.062 474 A CA -0.505 51.397 52.037 -0.225 0.000 0.686 474 A CB 0.635 19.567 19.000 -0.114 0.000 1.285 474 A HN 0.284 nan 8.150 nan 0.000 0.403 475 F N 1.287 121.172 119.950 -0.108 0.000 2.384 475 F HA 0.663 5.195 4.527 0.008 0.000 0.338 475 F C 1.222 176.952 175.800 -0.116 0.000 1.103 475 F CA 0.430 58.378 58.000 -0.087 0.000 1.157 475 F CB 1.343 40.277 39.000 -0.110 0.000 1.167 475 F HN 0.716 nan 8.300 nan 0.000 0.529 476 R N 0.885 121.442 120.500 0.094 0.000 2.774 476 R HA 0.572 4.917 4.340 0.009 0.000 0.272 476 R C -1.955 174.377 176.300 0.054 0.000 1.000 476 R CA -1.119 54.947 56.100 -0.057 0.000 0.906 476 R CB 0.886 31.152 30.300 -0.057 0.000 1.227 476 R HN 0.317 nan 8.270 nan 0.000 0.468 477 Y N 1.066 121.387 120.300 0.035 0.000 2.379 477 Y HA 0.195 4.750 4.550 0.008 0.000 0.337 477 Y C 0.549 176.450 175.900 0.002 0.000 1.238 477 Y CA -0.513 57.598 58.100 0.019 0.000 1.405 477 Y CB 0.698 39.158 38.460 -0.000 0.000 1.310 477 Y HN 0.653 nan 8.280 nan 0.000 0.569 478 Q N 1.160 121.047 119.800 0.146 0.000 2.495 478 Q HA 0.711 5.056 4.340 0.009 0.000 0.287 478 Q C -3.010 172.960 176.000 -0.050 0.000 1.078 478 Q CA -2.426 53.399 55.803 0.037 0.000 0.793 478 Q CB 1.625 30.379 28.738 0.026 0.000 1.459 478 Q HN 0.294 nan 8.270 nan 0.000 0.422 479 P HA 0.123 nan 4.420 nan 0.000 0.271 479 P C -0.993 176.095 177.300 -0.354 0.000 1.218 479 P CA -0.168 62.810 63.100 -0.203 0.000 0.780 479 P CB 0.388 31.977 31.700 -0.184 0.000 0.901 480 D N 3.615 123.681 120.400 -0.557 0.000 2.493 480 D HA -0.018 4.627 4.640 0.009 0.000 0.240 480 D C -1.289 174.379 176.300 -1.052 0.000 1.142 480 D CA -0.453 52.913 54.000 -1.056 0.000 0.872 480 D CB 0.373 40.149 40.800 -1.707 0.000 1.173 480 D HN 0.298 nan 8.370 nan 0.000 0.467 481 P HA 0.046 nan 4.420 nan 0.000 0.253 481 P C -0.341 176.620 177.300 -0.564 0.000 1.281 481 P CA 0.106 62.815 63.100 -0.653 0.000 0.792 481 P CB -0.145 31.216 31.700 -0.565 0.000 1.193 482 W N 0.000 120.969 121.300 -0.551 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.122 57.345 -0.371 0.000 1.226 482 W CB 0.000 29.191 29.460 -0.448 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535