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 3n68_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLM LPXXXXXXXX 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 RDLCDPHRYN 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 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.851 174.900 -0.082 0.000 0.946 67 G CA 0.000 45.077 45.100 -0.038 0.000 0.502 68 P HA 0.398 nan 4.420 nan 0.000 0.276 68 P C -0.393 176.869 177.300 -0.064 0.000 1.243 68 P CA -0.061 62.922 63.100 -0.196 0.000 0.768 68 P CB 1.372 32.655 31.700 -0.695 0.000 0.856 69 K N 3.548 123.863 120.400 -0.143 0.000 3.226 69 K HA 0.213 4.537 4.320 0.007 0.000 0.268 69 K C -0.907 175.396 176.600 -0.495 0.000 1.217 69 K CA -0.259 55.872 56.287 -0.260 0.000 1.242 69 K CB -0.909 31.413 32.500 -0.296 0.000 1.389 69 K HN 0.384 nan 8.250 nan 0.000 0.406 70 F N 0.224 120.196 119.950 0.038 0.000 2.579 70 F HA 0.400 4.932 4.527 0.007 0.000 0.324 70 F C -1.826 174.081 175.800 0.178 0.000 1.058 70 F CA -2.717 55.329 58.000 0.077 0.000 0.944 70 F CB 0.970 40.013 39.000 0.073 0.000 1.245 70 F HN 0.006 nan 8.300 nan 0.000 0.477 71 P HA 0.007 nan 4.420 nan 0.000 0.263 71 P C -0.702 176.699 177.300 0.168 0.000 1.195 71 P CA -0.110 63.100 63.100 0.183 0.000 0.762 71 P CB 0.409 32.182 31.700 0.123 0.000 0.799 72 R N 3.264 123.793 120.500 0.047 0.000 2.340 72 R HA 0.350 4.694 4.340 0.007 0.000 0.300 72 R C -1.252 174.937 176.300 -0.185 0.000 1.069 72 R CA -0.396 55.520 56.100 -0.306 0.000 0.984 72 R CB 0.418 30.537 30.300 -0.301 0.000 1.003 72 R HN 0.240 nan 8.270 nan 0.000 0.459 73 V N 5.085 124.854 119.914 -0.241 0.000 2.444 73 V HA 0.348 4.472 4.120 0.007 0.000 0.294 73 V C -0.352 175.664 176.094 -0.130 0.000 1.022 73 V CA -0.784 61.458 62.300 -0.097 0.000 0.850 73 V CB 1.450 33.251 31.823 -0.037 0.000 0.992 73 V HN 0.743 nan 8.190 nan 0.000 0.426 74 K N 3.770 124.122 120.400 -0.080 0.000 2.259 74 K HA 0.448 4.772 4.320 0.007 0.000 0.252 74 K C -0.514 176.040 176.600 -0.076 0.000 0.936 74 K CA -0.649 55.521 56.287 -0.196 0.000 0.810 74 K CB 1.466 33.693 32.500 -0.455 0.000 1.143 74 K HN 0.704 nan 8.250 nan 0.000 0.427 75 N N 4.327 122.971 118.700 -0.094 0.000 2.457 75 N HA 0.087 4.831 4.740 0.007 0.000 0.250 75 N C -0.336 175.185 175.510 0.018 0.000 0.982 75 N CA -0.347 52.744 53.050 0.068 0.000 0.941 75 N CB 0.447 38.985 38.487 0.086 0.000 1.120 75 N HN 0.701 nan 8.380 nan 0.000 0.505 76 W N 2.192 123.574 121.300 0.138 0.000 2.678 76 W HA 0.095 4.759 4.660 0.007 0.000 0.256 76 W C 2.082 178.644 176.519 0.071 0.000 1.280 76 W CA -0.001 57.413 57.345 0.114 0.000 1.345 76 W CB 0.264 29.817 29.460 0.156 0.000 1.118 76 W HN 0.668 nan 8.180 nan 0.000 0.629 77 E N 0.615 120.953 120.200 0.231 0.000 2.033 77 E HA -0.142 4.212 4.350 0.007 0.000 0.189 77 E C 1.756 178.380 176.600 0.039 0.000 0.979 77 E CA 1.164 57.590 56.400 0.043 0.000 0.802 77 E CB -0.347 29.320 29.700 -0.055 0.000 0.763 77 E HN 0.248 nan 8.360 nan 0.000 0.449 78 L N -0.686 120.562 121.223 0.042 0.000 2.446 78 L HA 0.277 4.622 4.340 0.007 0.000 0.219 78 L C 1.603 178.461 176.870 -0.020 0.000 1.116 78 L CA 0.462 55.309 54.840 0.012 0.000 0.844 78 L CB 0.279 42.349 42.059 0.017 0.000 0.970 78 L HN 0.473 nan 8.230 nan 0.000 0.457 79 G N 0.475 109.243 108.800 -0.054 0.000 2.159 79 G HA2 -0.296 3.668 3.960 0.007 0.000 0.256 79 G HA3 -0.296 3.668 3.960 0.007 0.000 0.256 79 G C 0.378 175.192 174.900 -0.143 0.000 0.977 79 G CA 0.381 45.406 45.100 -0.126 0.000 0.652 79 G HN 0.468 nan 8.290 nan 0.000 0.531 80 S N -0.247 115.387 115.700 -0.109 0.000 2.632 80 S HA 0.836 5.310 4.470 0.007 0.000 0.271 80 S C -0.017 174.500 174.600 -0.138 0.000 1.260 80 S CA -0.705 57.437 58.200 -0.097 0.000 1.010 80 S CB 2.176 65.344 63.200 -0.052 0.000 0.965 80 S HN 0.550 nan 8.310 nan 0.000 0.534 81 I N 1.892 122.385 120.570 -0.128 0.000 2.619 81 I HA 0.494 4.668 4.170 0.007 0.000 0.292 81 I C 0.002 176.022 176.117 -0.162 0.000 1.100 81 I CA -0.180 61.011 61.300 -0.183 0.000 1.043 81 I CB 1.878 39.761 38.000 -0.194 0.000 1.239 81 I HN 1.097 nan 8.210 nan 0.000 0.420 82 T N 1.992 116.409 114.554 -0.229 0.000 2.838 82 T HA 0.733 5.087 4.350 0.007 0.000 0.292 82 T C -1.367 173.131 174.700 -0.337 0.000 1.113 82 T CA -0.722 61.283 62.100 -0.158 0.000 1.008 82 T CB 2.178 71.008 68.868 -0.063 0.000 1.259 82 T HN 0.269 nan 8.240 nan 0.000 0.520 83 Y N -0.021 120.269 120.300 -0.017 0.000 2.406 83 Y HA 0.473 5.027 4.550 0.007 0.000 0.340 83 Y C -0.377 175.500 175.900 -0.038 0.000 0.975 83 Y CA -0.984 57.117 58.100 0.003 0.000 1.056 83 Y CB 1.869 40.335 38.460 0.010 0.000 1.210 83 Y HN 0.732 nan 8.280 nan 0.000 0.448 84 D N 1.988 122.472 120.400 0.140 0.000 2.339 84 D HA 0.088 4.732 4.640 0.007 0.000 0.241 84 D C 0.752 177.053 176.300 0.002 0.000 1.183 84 D CA 0.090 54.128 54.000 0.064 0.000 0.859 84 D CB 1.300 42.162 40.800 0.104 0.000 1.067 84 D HN 0.778 nan 8.370 nan 0.000 0.484 85 T N 1.197 115.640 114.554 -0.185 0.000 3.044 85 T HA -0.053 4.301 4.350 0.007 0.000 0.250 85 T C 1.824 176.431 174.700 -0.156 0.000 1.081 85 T CA -0.234 61.624 62.100 -0.404 0.000 1.040 85 T CB 0.074 68.521 68.868 -0.702 0.000 0.962 85 T HN 0.261 nan 8.240 nan 0.000 0.506 86 L N 2.529 123.696 121.223 -0.093 0.000 2.131 86 L HA 0.039 4.383 4.340 0.007 0.000 0.210 86 L C 2.621 179.415 176.870 -0.127 0.000 1.092 86 L CA 1.218 56.039 54.840 -0.032 0.000 0.759 86 L CB -1.052 41.058 42.059 0.085 0.000 0.903 86 L HN 0.654 nan 8.230 nan 0.000 0.435 87 C N -1.321 117.723 119.300 -0.426 0.000 2.409 87 C HA 0.004 4.468 4.460 0.007 0.000 0.284 87 C C 2.796 177.591 174.990 -0.325 0.000 1.354 87 C CA 0.183 58.651 59.018 -0.917 0.000 1.787 87 C CB -2.284 24.819 27.740 -1.063 0.000 1.900 87 C HN 0.597 nan 8.230 nan 0.000 0.520 88 A N -0.072 122.689 122.820 -0.098 0.000 2.131 88 A HA -0.134 4.190 4.320 0.007 0.000 0.220 88 A C 2.276 179.860 177.584 -0.001 0.000 1.158 88 A CA 1.590 53.631 52.037 0.006 0.000 0.665 88 A CB -0.467 18.605 19.000 0.120 0.000 0.795 88 A HN 0.735 nan 8.150 nan 0.000 0.460 89 Q N -0.295 119.500 119.800 -0.008 0.000 2.392 89 Q HA 0.080 4.424 4.340 0.007 0.000 0.203 89 Q C 0.692 176.725 176.000 0.055 0.000 0.917 89 Q CA 0.244 56.067 55.803 0.034 0.000 0.939 89 Q CB -0.048 28.721 28.738 0.052 0.000 1.063 89 Q HN 0.521 nan 8.270 nan 0.000 0.516 90 S N 1.298 117.027 115.700 0.048 0.000 2.516 90 S HA 0.007 4.481 4.470 0.007 0.000 0.282 90 S C 0.696 175.330 174.600 0.056 0.000 1.286 90 S CA 0.086 58.339 58.200 0.087 0.000 1.066 90 S CB 0.346 63.608 63.200 0.102 0.000 0.884 90 S HN 0.103 nan 8.310 nan 0.000 0.491 91 Q N 2.647 122.483 119.800 0.060 0.000 2.157 91 Q HA 0.278 4.622 4.340 0.007 0.000 0.229 91 Q C -0.501 175.521 176.000 0.037 0.000 0.827 91 Q CA -0.045 55.784 55.803 0.044 0.000 1.055 91 Q CB 0.821 29.587 28.738 0.046 0.000 1.157 91 Q HN 0.771 nan 8.270 nan 0.000 0.482 92 Q N 0.752 120.576 119.800 0.041 0.000 2.309 92 Q HA 0.238 4.582 4.340 0.007 0.000 0.273 92 Q C -1.699 174.323 176.000 0.037 0.000 1.040 92 Q CA -0.364 55.458 55.803 0.031 0.000 0.834 92 Q CB 1.463 30.215 28.738 0.023 0.000 1.345 92 Q HN -0.109 nan 8.270 nan 0.000 0.414 93 D N 2.411 122.828 120.400 0.027 0.000 2.304 93 D HA 0.393 5.037 4.640 0.007 0.000 0.250 93 D C 0.295 176.612 176.300 0.029 0.000 1.107 93 D CA 0.218 54.235 54.000 0.030 0.000 0.885 93 D CB 1.389 42.203 40.800 0.022 0.000 1.192 93 D HN 0.675 nan 8.370 nan 0.000 0.436 94 G N 1.301 110.124 108.800 0.038 0.000 2.509 94 G HA2 0.301 4.265 3.960 0.007 0.000 0.269 94 G HA3 0.301 4.265 3.960 0.007 0.000 0.269 94 G C -1.344 173.574 174.900 0.030 0.000 1.416 94 G CA -0.557 44.562 45.100 0.033 0.000 1.052 94 G HN 0.343 nan 8.290 nan 0.000 0.542 95 P HA 0.174 nan 4.420 nan 0.000 0.239 95 P C 0.352 177.671 177.300 0.031 0.000 1.188 95 P CA -0.026 63.092 63.100 0.031 0.000 0.794 95 P CB 0.173 31.895 31.700 0.037 0.000 0.937 96 C N 0.791 120.111 119.300 0.034 0.000 2.500 96 C HA 0.611 5.075 4.460 0.007 0.000 0.367 96 C C 1.009 176.014 174.990 0.025 0.000 1.283 96 C CA 0.159 59.196 59.018 0.031 0.000 2.456 96 C CB 0.823 28.585 27.740 0.036 0.000 2.457 96 C HN 0.390 nan 8.230 nan 0.000 0.632 97 T N -2.060 112.506 114.554 0.020 0.000 2.843 97 T HA 0.400 4.754 4.350 0.007 0.000 0.302 97 T C -2.422 172.285 174.700 0.012 0.000 1.232 97 T CA -1.086 61.023 62.100 0.015 0.000 1.009 97 T CB 1.278 70.153 68.868 0.012 0.000 1.254 97 T HN 0.269 nan 8.240 nan 0.000 0.504 98 P HA -0.070 nan 4.420 nan 0.000 0.217 98 P C 1.472 178.775 177.300 0.005 0.000 1.148 98 P CA 0.972 64.076 63.100 0.006 0.000 0.834 98 P CB 0.132 31.834 31.700 0.003 0.000 0.783 99 R N -0.758 119.746 120.500 0.006 0.000 2.075 99 R HA -0.030 4.315 4.340 0.007 0.000 0.226 99 R C 0.757 177.061 176.300 0.006 0.000 1.114 99 R CA 0.862 56.965 56.100 0.005 0.000 0.972 99 R CB 0.210 30.513 30.300 0.005 0.000 0.869 99 R HN 0.087 nan 8.270 nan 0.000 0.437 100 R N -0.347 120.158 120.500 0.009 0.000 2.604 100 R HA 0.158 4.502 4.340 0.007 0.000 0.270 100 R C -1.717 174.592 176.300 0.014 0.000 1.052 100 R CA -0.733 55.373 56.100 0.010 0.000 0.902 100 R CB 0.238 30.545 30.300 0.011 0.000 1.233 100 R HN 0.093 nan 8.270 nan 0.000 0.455 101 C N 3.963 123.272 119.300 0.014 0.000 2.325 101 C HA 0.498 4.962 4.460 0.007 0.000 0.347 101 C C 0.370 175.377 174.990 0.028 0.000 1.263 101 C CA -0.559 58.471 59.018 0.020 0.000 1.806 101 C CB -0.732 27.015 27.740 0.013 0.000 2.405 101 C HN 0.686 nan 8.230 nan 0.000 0.537 102 L N 6.277 127.522 121.223 0.037 0.000 2.965 102 L HA 0.338 4.682 4.340 0.007 0.000 0.254 102 L C 2.068 178.976 176.870 0.063 0.000 1.220 102 L CA 0.797 55.665 54.840 0.046 0.000 1.023 102 L CB -0.310 41.775 42.059 0.042 0.000 1.355 102 L HN 1.050 nan 8.230 nan 0.000 0.545 103 G N -0.260 108.579 108.800 0.065 0.000 2.475 103 G HA2 -0.330 3.634 3.960 0.007 0.000 0.220 103 G HA3 -0.330 3.634 3.960 0.007 0.000 0.220 103 G C 1.561 176.539 174.900 0.131 0.000 1.125 103 G CA 1.269 46.422 45.100 0.089 0.000 0.755 103 G HN 0.532 nan 8.290 nan 0.000 0.565 104 S N -0.196 115.577 115.700 0.122 0.000 2.527 104 S HA 0.291 4.765 4.470 0.007 0.000 0.222 104 S C 1.026 175.733 174.600 0.179 0.000 0.985 104 S CA -0.403 57.893 58.200 0.160 0.000 0.921 104 S CB -0.192 63.075 63.200 0.112 0.000 0.772 104 S HN 0.205 nan 8.310 nan 0.000 0.529 105 L N 1.896 123.204 121.223 0.143 0.000 2.426 105 L HA 0.221 4.565 4.340 0.007 0.000 0.271 105 L C 1.772 178.757 176.870 0.192 0.000 1.169 105 L CA -0.492 54.433 54.840 0.142 0.000 0.836 105 L CB 0.269 42.386 42.059 0.098 0.000 1.112 105 L HN 0.213 nan 8.230 nan 0.000 0.465 106 M N 3.025 122.755 119.600 0.216 0.000 2.134 106 M HA 0.100 4.584 4.480 0.007 0.000 0.262 106 M C 0.569 177.015 176.300 0.243 0.000 1.076 106 M CA 1.370 56.837 55.300 0.280 0.000 1.143 106 M CB -0.493 32.275 32.600 0.280 0.000 1.346 106 M HN 0.410 nan 8.290 nan 0.000 0.421 107 L N 1.673 123.001 121.223 0.174 0.000 2.280 107 L HA 0.448 4.792 4.340 0.007 0.000 0.287 107 L C -2.240 174.699 176.870 0.115 0.000 1.023 107 L CA -1.833 53.113 54.840 0.177 0.000 0.819 107 L CB 0.227 42.346 42.059 0.100 0.000 1.212 107 L HN -0.007 nan 8.230 nan 0.000 0.420 122 A N 1.519 124.342 122.820 0.003 0.000 1.849 122 A HA -0.250 4.074 4.320 0.007 0.000 0.217 122 A C 1.977 179.561 177.584 0.000 0.000 1.202 122 A CA 2.434 54.473 52.037 0.003 0.000 0.629 122 A CB -0.362 18.638 19.000 0.002 0.000 0.834 122 A HN 0.460 nan 8.150 nan 0.000 0.447 123 E N -0.436 119.763 120.200 -0.001 0.000 2.058 123 E HA -0.244 4.111 4.350 0.007 0.000 0.194 123 E C 2.120 178.720 176.600 0.001 0.000 0.997 123 E CA 1.645 58.043 56.400 -0.003 0.000 0.801 123 E CB -0.406 29.293 29.700 -0.002 0.000 0.746 123 E HN 0.795 nan 8.360 nan 0.000 0.450 124 Q N 0.938 120.741 119.800 0.004 0.000 2.135 124 Q HA -0.141 4.203 4.340 0.007 0.000 0.204 124 Q C 2.017 178.025 176.000 0.014 0.000 0.981 124 Q CA 1.433 57.241 55.803 0.008 0.000 0.856 124 Q CB -0.289 28.453 28.738 0.006 0.000 0.902 124 Q HN 0.478 nan 8.270 nan 0.000 0.425 125 L N -0.902 120.330 121.223 0.015 0.000 2.131 125 L HA -0.031 4.314 4.340 0.007 0.000 0.206 125 L C 1.937 178.820 176.870 0.021 0.000 1.087 125 L CA 0.579 55.438 54.840 0.031 0.000 0.767 125 L CB -0.202 41.882 42.059 0.041 0.000 0.917 125 L HN 0.380 nan 8.230 nan 0.000 0.441 126 L N -0.237 120.981 121.223 -0.008 0.000 2.093 126 L HA -0.168 4.176 4.340 0.007 0.000 0.208 126 L C 2.809 179.665 176.870 -0.025 0.000 1.085 126 L CA 2.159 56.972 54.840 -0.045 0.000 0.755 126 L CB -0.610 41.422 42.059 -0.044 0.000 0.904 126 L HN 0.508 nan 8.230 nan 0.000 0.435 127 S N -2.191 113.510 115.700 0.002 0.000 2.414 127 S HA -0.166 4.308 4.470 0.007 0.000 0.227 127 S C 1.829 176.458 174.600 0.048 0.000 1.022 127 S CA 0.614 58.826 58.200 0.019 0.000 0.958 127 S CB -0.433 62.778 63.200 0.018 0.000 0.797 127 S HN 0.575 nan 8.310 nan 0.000 0.493 128 Q N 1.009 120.843 119.800 0.057 0.000 2.119 128 Q HA 0.091 4.435 4.340 0.007 0.000 0.201 128 Q C 2.579 178.668 176.000 0.148 0.000 0.972 128 Q CA 1.308 57.166 55.803 0.093 0.000 0.847 128 Q CB -0.462 28.321 28.738 0.075 0.000 0.903 128 Q HN 0.773 nan 8.270 nan 0.000 0.433 129 A N 1.245 124.130 122.820 0.108 0.000 1.898 129 A HA -0.163 4.161 4.320 0.007 0.000 0.216 129 A C 2.000 179.659 177.584 0.125 0.000 1.181 129 A CA 1.016 53.120 52.037 0.111 0.000 0.620 129 A CB -0.292 18.570 19.000 -0.230 0.000 0.819 129 A HN 0.184 nan 8.150 nan 0.000 0.442 130 R N -0.575 119.960 120.500 0.059 0.000 2.075 130 R HA -0.145 4.199 4.340 0.007 0.000 0.232 130 R C 1.973 178.349 176.300 0.127 0.000 1.126 130 R CA 1.567 57.708 56.100 0.067 0.000 0.963 130 R CB -0.528 29.786 30.300 0.024 0.000 0.858 130 R HN 0.662 nan 8.270 nan 0.000 0.435 131 D N 0.332 120.814 120.400 0.137 0.000 2.104 131 D HA -0.214 4.430 4.640 0.007 0.000 0.194 131 D C 1.663 178.089 176.300 0.210 0.000 0.994 131 D CA 1.161 55.252 54.000 0.152 0.000 0.830 131 D CB -0.095 40.789 40.800 0.140 0.000 0.959 131 D HN 0.128 nan 8.370 nan 0.000 0.452 132 F N 0.674 120.712 119.950 0.147 0.000 2.075 132 F HA -0.106 4.425 4.527 0.006 0.000 0.297 132 F C 1.998 177.947 175.800 0.249 0.000 1.113 132 F CA 1.024 59.149 58.000 0.208 0.000 1.218 132 F CB -0.337 38.792 39.000 0.215 0.000 0.984 132 F HN -0.041 nan 8.300 nan 0.000 0.472 133 I N 1.409 122.014 120.570 0.059 0.000 2.194 133 I HA -0.345 3.829 4.170 0.007 0.000 0.246 133 I C 2.006 178.165 176.117 0.070 0.000 1.093 133 I CA 1.321 62.652 61.300 0.052 0.000 1.355 133 I CB -1.805 36.333 38.000 0.229 0.000 1.046 133 I HN 0.257 nan 8.210 nan 0.000 0.413 134 N N 0.848 119.608 118.700 0.101 0.000 2.104 134 N HA -0.201 4.543 4.740 0.007 0.000 0.190 134 N C 1.796 177.249 175.510 -0.096 0.000 1.024 134 N CA 1.112 54.186 53.050 0.040 0.000 0.853 134 N CB -0.384 38.178 38.487 0.124 0.000 1.008 134 N HN 0.536 nan 8.380 nan 0.000 0.424 135 Q N -0.900 118.857 119.800 -0.071 0.000 2.119 135 Q HA -0.155 4.189 4.340 0.007 0.000 0.201 135 Q C 1.616 177.406 176.000 -0.350 0.000 0.972 135 Q CA 1.005 56.774 55.803 -0.056 0.000 0.847 135 Q CB -0.221 28.623 28.738 0.177 0.000 0.903 135 Q HN 0.478 nan 8.270 nan 0.000 0.433 136 Y N 0.330 120.197 120.300 -0.723 0.000 2.109 136 Y HA -0.286 4.268 4.550 0.005 0.000 0.285 136 Y C 1.815 177.211 175.900 -0.840 0.000 1.131 136 Y CA 1.501 58.918 58.100 -1.139 0.000 1.121 136 Y CB -0.648 37.226 38.460 -0.977 0.000 0.987 136 Y HN 0.022 nan 8.280 nan 0.000 0.495 137 Y N -0.025 119.863 120.300 -0.687 0.000 2.165 137 Y HA -0.283 4.272 4.550 0.008 0.000 0.286 137 Y C 2.880 178.444 175.900 -0.559 0.000 1.155 137 Y CA 1.923 59.607 58.100 -0.693 0.000 1.164 137 Y CB -0.860 37.101 38.460 -0.832 0.000 0.978 137 Y HN 0.087 nan 8.280 nan 0.000 0.513 138 S N -0.420 115.078 115.700 -0.338 0.000 2.372 138 S HA -0.280 4.194 4.470 0.007 0.000 0.227 138 S C 2.237 176.671 174.600 -0.277 0.000 1.044 138 S CA 1.783 59.842 58.200 -0.234 0.000 1.050 138 S CB -0.729 62.385 63.200 -0.143 0.000 0.901 138 S HN 0.660 nan 8.310 nan 0.000 0.447 139 S N 1.690 117.136 115.700 -0.423 0.000 2.453 139 S HA 0.007 4.481 4.470 0.007 0.000 0.231 139 S C 1.533 175.917 174.600 -0.361 0.000 1.005 139 S CA 0.845 58.846 58.200 -0.333 0.000 0.949 139 S CB -0.707 62.252 63.200 -0.400 0.000 0.774 139 S HN 0.722 nan 8.310 nan 0.000 0.510 140 I N -3.392 116.856 120.570 -0.536 0.000 3.928 140 I HA 0.444 4.618 4.170 0.007 0.000 0.335 140 I C -0.273 175.680 176.117 -0.273 0.000 1.325 140 I CA -0.541 60.503 61.300 -0.428 0.000 1.107 140 I CB 0.061 37.692 38.000 -0.615 0.000 1.014 140 I HN -0.128 nan 8.210 nan 0.000 0.400 141 K N 1.937 122.199 120.400 -0.229 0.000 3.167 141 K HA -0.122 4.202 4.320 0.007 0.000 0.272 141 K C -0.072 176.472 176.600 -0.093 0.000 1.137 141 K CA 0.437 56.644 56.287 -0.133 0.000 0.800 141 K CB -1.851 30.592 32.500 -0.094 0.000 1.253 141 K HN 0.525 nan 8.250 nan 0.000 0.497 142 R N -0.453 119.994 120.500 -0.088 0.000 2.659 142 R HA 0.103 4.447 4.340 0.007 0.000 0.418 142 R C 0.106 176.442 176.300 0.059 0.000 1.076 142 R CA -0.253 55.859 56.100 0.020 0.000 1.093 142 R CB 0.949 31.310 30.300 0.102 0.000 1.400 142 R HN 0.193 nan 8.270 nan 0.000 0.583 143 S N -0.293 115.399 115.700 -0.013 0.000 2.537 143 S HA 0.289 4.764 4.470 0.007 0.000 0.286 143 S C 1.379 176.071 174.600 0.153 0.000 1.299 143 S CA 1.463 59.676 58.200 0.021 0.000 1.067 143 S CB 0.431 63.617 63.200 -0.022 0.000 0.864 143 S HN 0.731 nan 8.310 nan 0.000 0.494 144 G N 3.056 112.077 108.800 0.368 0.000 2.225 144 G HA2 -0.297 3.667 3.960 0.007 0.000 0.254 144 G HA3 -0.297 3.667 3.960 0.007 0.000 0.254 144 G C 0.357 175.275 174.900 0.031 0.000 0.988 144 G CA 0.532 45.699 45.100 0.111 0.000 0.625 144 G HN 1.744 nan 8.290 nan 0.000 0.527 145 S N 0.417 116.159 115.700 0.070 0.000 2.584 145 S HA 0.383 4.857 4.470 0.007 0.000 0.270 145 S C 1.630 176.212 174.600 -0.031 0.000 1.346 145 S CA 0.914 59.128 58.200 0.024 0.000 1.018 145 S CB 1.483 64.718 63.200 0.057 0.000 0.899 145 S HN 0.984 nan 8.310 nan 0.000 0.542 146 Q N 1.755 121.537 119.800 -0.031 0.000 2.364 146 Q HA -0.016 4.328 4.340 0.007 0.000 0.207 146 Q C 1.792 177.757 176.000 -0.059 0.000 0.970 146 Q CA 1.840 57.611 55.803 -0.054 0.000 0.888 146 Q CB -1.112 27.606 28.738 -0.032 0.000 0.951 146 Q HN 0.872 nan 8.270 nan 0.000 0.469 147 A N 0.653 123.460 122.820 -0.023 0.000 1.930 147 A HA -0.151 4.173 4.320 0.007 0.000 0.215 147 A C 2.106 179.575 177.584 -0.191 0.000 1.176 147 A CA 1.168 53.211 52.037 0.011 0.000 0.632 147 A CB -0.984 18.111 19.000 0.157 0.000 0.819 147 A HN 0.695 nan 8.150 nan 0.000 0.445 148 H N -0.114 118.593 119.070 -0.605 0.000 2.293 148 H HA -0.108 4.452 4.556 0.007 0.000 0.300 148 H C 1.691 176.691 175.328 -0.545 0.000 1.082 148 H CA 1.449 56.806 56.048 -1.151 0.000 1.308 148 H CB 0.077 29.362 29.762 -0.795 0.000 1.375 148 H HN 0.500 nan 8.280 nan 0.000 0.495 149 E N 0.329 120.287 120.200 -0.404 0.000 2.268 149 E HA -0.143 4.211 4.350 0.007 0.000 0.195 149 E C 1.906 178.390 176.600 -0.194 0.000 0.995 149 E CA 0.651 56.849 56.400 -0.336 0.000 0.836 149 E CB 0.038 29.589 29.700 -0.247 0.000 0.763 149 E HN 0.689 nan 8.360 nan 0.000 0.491 150 E N 0.518 120.632 120.200 -0.143 0.000 2.086 150 E HA -0.110 4.244 4.350 0.007 0.000 0.190 150 E C 2.122 178.700 176.600 -0.037 0.000 0.975 150 E CA 0.346 56.706 56.400 -0.066 0.000 0.813 150 E CB 0.115 29.800 29.700 -0.025 0.000 0.768 150 E HN -0.094 nan 8.360 nan 0.000 0.457 151 R N 1.207 121.684 120.500 -0.038 0.000 2.081 151 R HA -0.085 4.259 4.340 0.007 0.000 0.235 151 R C 2.037 178.349 176.300 0.019 0.000 1.131 151 R CA 1.206 57.336 56.100 0.050 0.000 0.960 151 R CB -0.732 29.674 30.300 0.176 0.000 0.856 151 R HN 0.154 nan 8.270 nan 0.000 0.436 152 L N 0.253 121.442 121.223 -0.056 0.000 2.013 152 L HA -0.252 4.092 4.340 0.007 0.000 0.212 152 L C 2.655 179.484 176.870 -0.070 0.000 1.073 152 L CA 1.865 56.661 54.840 -0.073 0.000 0.753 152 L CB -0.448 41.514 42.059 -0.162 0.000 0.890 152 L HN 0.363 nan 8.230 nan 0.000 0.432 153 Q N -0.699 119.060 119.800 -0.069 0.000 2.084 153 Q HA -0.265 4.079 4.340 0.007 0.000 0.202 153 Q C 2.170 178.156 176.000 -0.023 0.000 0.978 153 Q CA 1.612 57.386 55.803 -0.049 0.000 0.844 153 Q CB -0.065 28.646 28.738 -0.046 0.000 0.898 153 Q HN 0.490 nan 8.270 nan 0.000 0.426 154 E N -0.067 120.132 120.200 -0.001 0.000 2.106 154 E HA -0.157 4.197 4.350 0.007 0.000 0.192 154 E C 1.957 178.577 176.600 0.033 0.000 0.984 154 E CA 0.910 57.329 56.400 0.032 0.000 0.806 154 E CB 0.253 29.990 29.700 0.062 0.000 0.750 154 E HN 0.124 nan 8.360 nan 0.000 0.458 155 V N 2.327 122.238 119.914 -0.005 0.000 2.307 155 V HA -0.259 3.866 4.120 0.007 0.000 0.245 155 V C 2.352 178.366 176.094 -0.133 0.000 1.045 155 V CA 2.244 64.484 62.300 -0.099 0.000 1.024 155 V CB -0.630 31.047 31.823 -0.243 0.000 0.651 155 V HN 0.433 nan 8.190 nan 0.000 0.449 156 E N 1.344 121.482 120.200 -0.104 0.000 2.110 156 E HA -0.209 4.145 4.350 0.007 0.000 0.193 156 E C 2.210 178.789 176.600 -0.034 0.000 0.988 156 E CA 1.496 57.849 56.400 -0.078 0.000 0.804 156 E CB -0.508 29.151 29.700 -0.067 0.000 0.745 156 E HN 0.508 nan 8.360 nan 0.000 0.458 157 A N 1.899 124.710 122.820 -0.015 0.000 1.883 157 A HA -0.250 4.074 4.320 0.007 0.000 0.217 157 A C 2.134 179.735 177.584 0.029 0.000 1.186 157 A CA 1.761 53.803 52.037 0.009 0.000 0.624 157 A CB -0.563 18.447 19.000 0.016 0.000 0.822 157 A HN 0.323 nan 8.150 nan 0.000 0.444 158 E N -0.509 119.720 120.200 0.049 0.000 2.150 158 E HA -0.087 4.267 4.350 0.007 0.000 0.193 158 E C 1.977 178.625 176.600 0.081 0.000 0.985 158 E CA 1.154 57.610 56.400 0.093 0.000 0.814 158 E CB -0.041 29.759 29.700 0.166 0.000 0.752 158 E HN 0.417 nan 8.360 nan 0.000 0.466 159 V N 1.098 121.039 119.914 0.044 0.000 2.323 159 V HA -0.222 3.902 4.120 0.007 0.000 0.244 159 V C 2.427 178.534 176.094 0.022 0.000 1.041 159 V CA 1.525 63.846 62.300 0.035 0.000 1.025 159 V CB -0.792 31.027 31.823 -0.006 0.000 0.656 159 V HN 0.306 nan 8.190 nan 0.000 0.451 160 A N 1.113 123.939 122.820 0.010 0.000 1.896 160 A HA -0.331 3.994 4.320 0.007 0.000 0.220 160 A C 2.533 180.128 177.584 0.019 0.000 1.206 160 A CA 3.259 55.301 52.037 0.009 0.000 0.647 160 A CB -0.946 18.057 19.000 0.005 0.000 0.828 160 A HN 0.721 nan 8.150 nan 0.000 0.455 161 S N -2.207 113.510 115.700 0.028 0.000 2.458 161 S HA -0.024 4.450 4.470 0.007 0.000 0.223 161 S C 1.626 176.249 174.600 0.039 0.000 1.019 161 S CA 1.505 59.725 58.200 0.032 0.000 0.937 161 S CB -0.498 62.723 63.200 0.035 0.000 0.788 161 S HN 0.919 nan 8.310 nan 0.000 0.511 162 T N -3.962 110.620 114.554 0.047 0.000 2.975 162 T HA 0.549 4.903 4.350 0.007 0.000 0.257 162 T C 1.645 176.366 174.700 0.036 0.000 1.003 162 T CA 0.879 63.009 62.100 0.049 0.000 0.932 162 T CB 0.170 69.082 68.868 0.074 0.000 1.087 162 T HN 1.132 nan 8.240 nan 0.000 0.512 163 G N 0.504 109.324 108.800 0.033 0.000 2.284 163 G HA2 -0.258 3.706 3.960 0.007 0.000 0.247 163 G HA3 -0.258 3.706 3.960 0.007 0.000 0.247 163 G C 0.297 175.213 174.900 0.028 0.000 1.012 163 G CA 0.561 45.676 45.100 0.024 0.000 0.618 163 G HN 0.899 nan 8.290 nan 0.000 0.521 164 T N -0.840 113.725 114.554 0.020 0.000 2.762 164 T HA 0.761 5.115 4.350 0.007 0.000 0.272 164 T C -0.531 174.215 174.700 0.077 0.000 0.982 164 T CA 0.449 62.550 62.100 0.001 0.000 1.013 164 T CB 1.364 70.141 68.868 -0.151 0.000 1.309 164 T HN 1.343 nan 8.240 nan 0.000 0.572 165 Y N -1.281 118.861 120.300 -0.263 0.000 2.840 165 Y HA 0.706 5.260 4.550 0.007 0.000 0.324 165 Y C -1.218 174.386 175.900 -0.493 0.000 1.378 165 Y CA -1.250 56.704 58.100 -0.244 0.000 1.077 165 Y CB 0.806 39.235 38.460 -0.051 0.000 1.361 165 Y HN 0.669 nan 8.280 nan 0.000 0.459 166 H N 0.773 119.768 119.070 -0.124 0.000 2.821 166 H HA 0.564 5.125 4.556 0.007 0.000 0.373 166 H C -1.257 174.036 175.328 -0.058 0.000 1.165 166 H CA -0.926 55.011 56.048 -0.186 0.000 1.154 166 H CB 2.628 32.369 29.762 -0.035 0.000 1.765 166 H HN 0.586 nan 8.280 nan 0.000 0.549 167 L N 2.154 123.418 121.223 0.069 0.000 2.350 167 L HA 0.359 4.704 4.340 0.007 0.000 0.275 167 L C 1.000 177.929 176.870 0.099 0.000 1.099 167 L CA -0.637 54.272 54.840 0.116 0.000 0.808 167 L CB 0.702 42.813 42.059 0.086 0.000 1.149 167 L HN 0.335 nan 8.230 nan 0.000 0.442 168 R N 1.473 122.019 120.500 0.077 0.000 2.784 168 R HA -0.033 4.311 4.340 0.007 0.000 0.266 168 R C 1.209 177.505 176.300 -0.007 0.000 1.044 168 R CA -0.264 55.851 56.100 0.024 0.000 1.151 168 R CB 0.625 30.918 30.300 -0.012 0.000 1.037 168 R HN 0.708 nan 8.270 nan 0.000 0.478 169 E N 1.232 121.425 120.200 -0.011 0.000 2.049 169 E HA -0.277 4.077 4.350 0.007 0.000 0.198 169 E C 1.609 178.195 176.600 -0.024 0.000 1.007 169 E CA 2.302 58.688 56.400 -0.023 0.000 0.809 169 E CB -0.014 29.675 29.700 -0.017 0.000 0.749 169 E HN 0.662 nan 8.360 nan 0.000 0.450 170 S N -0.345 115.341 115.700 -0.023 0.000 2.453 170 S HA -0.117 4.357 4.470 0.007 0.000 0.231 170 S C 1.677 176.266 174.600 -0.018 0.000 1.005 170 S CA 1.098 59.306 58.200 0.013 0.000 0.949 170 S CB -0.167 63.069 63.200 0.060 0.000 0.774 170 S HN 0.341 nan 8.310 nan 0.000 0.510 171 E N 0.588 120.668 120.200 -0.200 0.000 2.106 171 E HA -0.027 4.328 4.350 0.007 0.000 0.192 171 E C 1.955 178.694 176.600 0.231 0.000 0.984 171 E CA 1.045 57.364 56.400 -0.136 0.000 0.806 171 E CB -0.281 29.343 29.700 -0.127 0.000 0.750 171 E HN 0.446 nan 8.360 nan 0.000 0.458 172 L N 0.702 121.968 121.223 0.071 0.000 2.046 172 L HA -0.155 4.189 4.340 0.007 0.000 0.208 172 L C 2.145 179.020 176.870 0.009 0.000 1.077 172 L CA 1.361 56.189 54.840 -0.020 0.000 0.747 172 L CB -0.256 41.724 42.059 -0.131 0.000 0.896 172 L HN -0.045 nan 8.230 nan 0.000 0.432 173 V N -0.539 119.406 119.914 0.053 0.000 2.343 173 V HA -0.303 3.821 4.120 0.007 0.000 0.247 173 V C 2.295 178.496 176.094 0.179 0.000 1.051 173 V CA 2.118 64.459 62.300 0.068 0.000 1.036 173 V CB -0.895 30.967 31.823 0.064 0.000 0.654 173 V HN 0.584 nan 8.190 nan 0.000 0.451 174 F N 1.953 121.992 119.950 0.148 0.000 2.113 174 F HA 0.031 4.561 4.527 0.005 0.000 0.297 174 F C 2.194 178.150 175.800 0.260 0.000 1.103 174 F CA 1.764 59.907 58.000 0.238 0.000 1.248 174 F CB -0.845 38.357 39.000 0.335 0.000 0.999 174 F HN 0.119 nan 8.300 nan 0.000 0.475 175 G N -0.055 108.880 108.800 0.225 0.000 2.418 175 G HA2 -0.213 3.751 3.960 0.007 0.000 0.217 175 G HA3 -0.213 3.751 3.960 0.007 0.000 0.217 175 G C 1.805 176.602 174.900 -0.171 0.000 1.158 175 G CA 0.786 45.900 45.100 0.024 0.000 0.771 175 G HN 0.633 nan 8.290 nan 0.000 0.545 176 A N 0.803 123.547 122.820 -0.127 0.000 1.902 176 A HA -0.015 4.309 4.320 0.007 0.000 0.217 176 A C 2.317 179.891 177.584 -0.017 0.000 1.181 176 A CA 1.993 53.948 52.037 -0.136 0.000 0.623 176 A CB -0.325 18.616 19.000 -0.099 0.000 0.818 176 A HN 0.390 nan 8.150 nan 0.000 0.443 177 K N -1.207 119.224 120.400 0.052 0.000 2.025 177 K HA -0.154 4.170 4.320 0.007 0.000 0.207 177 K C 2.392 179.050 176.600 0.096 0.000 1.049 177 K CA 1.450 57.876 56.287 0.231 0.000 0.933 177 K CB -0.183 32.510 32.500 0.323 0.000 0.714 177 K HN 0.384 nan 8.250 nan 0.000 0.438 178 Q N 0.889 120.569 119.800 -0.202 0.000 2.077 178 Q HA -0.180 4.164 4.340 0.007 0.000 0.206 178 Q C 1.940 177.796 176.000 -0.241 0.000 0.989 178 Q CA 2.143 57.717 55.803 -0.380 0.000 0.853 178 Q CB -0.460 27.896 28.738 -0.637 0.000 0.907 178 Q HN 0.360 nan 8.270 nan 0.000 0.418 179 A N -0.513 122.173 122.820 -0.223 0.000 1.892 179 A HA -0.231 4.093 4.320 0.007 0.000 0.218 179 A C 1.872 179.478 177.584 0.036 0.000 1.188 179 A CA 1.807 53.685 52.037 -0.266 0.000 0.631 179 A CB -1.380 17.197 19.000 -0.704 0.000 0.822 179 A HN 0.730 nan 8.150 nan 0.000 0.447 180 W N 0.751 122.050 121.300 -0.002 0.000 2.379 180 W HA -0.119 4.544 4.660 0.005 0.000 0.307 180 W C 2.350 178.846 176.519 -0.038 0.000 1.200 180 W CA 1.492 58.879 57.345 0.071 0.000 1.297 180 W CB -0.722 28.774 29.460 0.060 0.000 1.140 180 W HN 0.379 nan 8.180 nan 0.000 0.507 181 R N 0.317 120.765 120.500 -0.086 0.000 2.117 181 R HA -0.210 4.134 4.340 0.007 0.000 0.243 181 R C 1.631 177.777 176.300 -0.256 0.000 1.143 181 R CA 1.916 57.759 56.100 -0.429 0.000 0.968 181 R CB -0.524 29.233 30.300 -0.905 0.000 0.863 181 R HN 0.092 nan 8.270 nan 0.000 0.444 182 N N 0.153 118.756 118.700 -0.162 0.000 2.424 182 N HA 0.031 4.775 4.740 0.007 0.000 0.178 182 N C -0.336 175.122 175.510 -0.087 0.000 1.060 182 N CA 0.708 53.676 53.050 -0.137 0.000 0.901 182 N CB 0.324 38.732 38.487 -0.132 0.000 0.979 182 N HN 0.178 nan 8.380 nan 0.000 0.451 183 A N 2.143 124.961 122.820 -0.003 0.000 2.500 183 A HA 0.180 4.505 4.320 0.007 0.000 0.285 183 A C -1.262 176.304 177.584 -0.031 0.000 1.183 183 A CA -0.847 51.197 52.037 0.012 0.000 0.851 183 A CB 0.142 19.210 19.000 0.114 0.000 1.091 183 A HN 0.043 nan 8.150 nan 0.000 0.521 184 P HA -0.119 nan 4.420 nan 0.000 0.221 184 P C 1.052 178.309 177.300 -0.071 0.000 1.145 184 P CA 1.170 64.213 63.100 -0.095 0.000 0.795 184 P CB 0.168 31.775 31.700 -0.155 0.000 0.775 185 R N -2.387 118.043 120.500 -0.118 0.000 2.362 185 R HA 0.172 4.516 4.340 0.007 0.000 0.227 185 R C 0.133 176.425 176.300 -0.013 0.000 0.905 185 R CA -0.189 55.843 56.100 -0.113 0.000 1.067 185 R CB -0.161 29.905 30.300 -0.391 0.000 1.078 185 R HN 0.161 nan 8.270 nan 0.000 0.516 186 C N 0.526 119.820 119.300 -0.009 0.000 2.325 186 C HA 0.229 4.693 4.460 0.007 0.000 0.347 186 C C 1.868 176.813 174.990 -0.074 0.000 1.263 186 C CA -0.623 58.413 59.018 0.030 0.000 1.806 186 C CB 0.605 28.436 27.740 0.151 0.000 2.405 186 C HN 0.263 nan 8.230 nan 0.000 0.537 187 V N 6.043 125.870 119.914 -0.145 0.000 3.461 187 V HA 0.188 4.312 4.120 0.007 0.000 0.267 187 V C 1.870 177.954 176.094 -0.017 0.000 1.186 187 V CA 2.038 64.142 62.300 -0.327 0.000 1.154 187 V CB -0.140 31.510 31.823 -0.289 0.000 0.802 187 V HN 1.093 nan 8.190 nan 0.000 0.474 188 G N -0.667 108.175 108.800 0.070 0.000 3.181 188 G HA2 -0.014 3.951 3.960 0.007 0.000 0.219 188 G HA3 -0.014 3.951 3.960 0.007 0.000 0.219 188 G C 1.354 176.286 174.900 0.053 0.000 1.182 188 G CA -0.250 44.921 45.100 0.118 0.000 0.791 188 G HN 0.440 nan 8.290 nan 0.000 0.537 189 R N -0.403 120.028 120.500 -0.115 0.000 2.237 189 R HA 0.028 4.372 4.340 0.007 0.000 0.219 189 R C 2.108 178.003 176.300 -0.676 0.000 1.080 189 R CA 0.241 55.983 56.100 -0.597 0.000 0.995 189 R CB -0.203 29.691 30.300 -0.677 0.000 0.875 189 R HN 0.413 nan 8.270 nan 0.000 0.462 190 I N 1.343 121.694 120.570 -0.366 0.000 2.502 190 I HA -0.276 3.899 4.170 0.007 0.000 0.258 190 I C 1.386 177.433 176.117 -0.116 0.000 1.172 190 I CA 1.649 62.901 61.300 -0.079 0.000 1.430 190 I CB 0.081 38.127 38.000 0.076 0.000 1.086 190 I HN 0.112 nan 8.210 nan 0.000 0.440 191 Q N -0.081 119.572 119.800 -0.245 0.000 2.360 191 Q HA -0.059 4.285 4.340 0.007 0.000 0.202 191 Q C 1.695 177.304 176.000 -0.651 0.000 0.915 191 Q CA 0.423 56.077 55.803 -0.248 0.000 0.943 191 Q CB -0.449 28.319 28.738 0.050 0.000 1.064 191 Q HN 0.834 nan 8.270 nan 0.000 0.511 192 W N 0.437 121.077 121.300 -1.099 0.000 2.292 192 W HA -0.175 4.491 4.660 0.010 0.000 0.304 192 W C 1.142 177.396 176.519 -0.442 0.000 1.228 192 W CA 1.336 57.906 57.345 -1.293 0.000 1.241 192 W CB -1.304 27.615 29.460 -0.902 0.000 1.142 192 W HN 0.109 nan 8.180 nan 0.000 0.520 193 G N 1.062 109.146 108.800 -1.193 0.000 2.848 193 G HA2 -0.124 3.840 3.960 0.007 0.000 0.208 193 G HA3 -0.124 3.840 3.960 0.007 0.000 0.208 193 G C 0.813 175.486 174.900 -0.379 0.000 1.152 193 G CA -0.137 44.356 45.100 -1.012 0.000 0.789 193 G HN 0.179 nan 8.290 nan 0.000 0.531 194 K N 0.418 120.706 120.400 -0.187 0.000 2.499 194 K HA 0.456 4.780 4.320 0.007 0.000 0.215 194 K C -1.698 175.012 176.600 0.183 0.000 1.041 194 K CA -0.592 55.697 56.287 0.003 0.000 1.031 194 K CB 0.460 32.984 32.500 0.042 0.000 1.479 194 K HN 0.127 nan 8.250 nan 0.000 0.518 195 L N 2.313 123.629 121.223 0.154 0.000 2.436 195 L HA 0.345 4.689 4.340 0.007 0.000 0.268 195 L C -1.241 175.630 176.870 0.000 0.000 0.974 195 L CA -0.441 54.501 54.840 0.170 0.000 0.826 195 L CB 2.024 44.263 42.059 0.299 0.000 1.291 195 L HN 0.286 nan 8.230 nan 0.000 0.406 196 Q N 2.777 122.516 119.800 -0.101 0.000 2.294 196 Q HA 0.501 4.845 4.340 0.007 0.000 0.257 196 Q C -1.433 174.234 176.000 -0.555 0.000 0.955 196 Q CA -0.043 55.525 55.803 -0.393 0.000 0.936 196 Q CB 1.224 29.604 28.738 -0.596 0.000 1.188 196 Q HN 0.520 nan 8.270 nan 0.000 0.420 197 V N 6.254 125.872 119.914 -0.493 0.000 2.333 197 V HA 0.351 4.475 4.120 0.007 0.000 0.274 197 V C -0.633 175.156 176.094 -0.507 0.000 1.028 197 V CA -0.525 61.541 62.300 -0.391 0.000 0.851 197 V CB 0.159 31.861 31.823 -0.201 0.000 1.000 197 V HN 0.606 nan 8.190 nan 0.000 0.456 198 F N 2.812 122.634 119.950 -0.214 0.000 2.404 198 F HA 0.345 4.873 4.527 0.002 0.000 0.358 198 F C 0.653 176.280 175.800 -0.288 0.000 1.120 198 F CA -0.847 57.014 58.000 -0.233 0.000 1.144 198 F CB 0.688 39.550 39.000 -0.230 0.000 1.133 198 F HN 0.403 nan 8.300 nan 0.000 0.495 199 D N 3.115 123.465 120.400 -0.084 0.000 2.339 199 D HA 0.396 5.040 4.640 0.007 0.000 0.256 199 D C -0.078 176.035 176.300 -0.311 0.000 1.214 199 D CA 0.185 54.068 54.000 -0.195 0.000 0.877 199 D CB 1.245 41.970 40.800 -0.125 0.000 1.111 199 D HN 0.646 nan 8.370 nan 0.000 0.478 200 A N 4.669 127.153 122.820 -0.559 0.000 2.674 200 A HA 0.177 4.501 4.320 0.007 0.000 0.286 200 A C 1.302 178.568 177.584 -0.530 0.000 0.980 200 A CA -0.434 51.055 52.037 -0.914 0.000 1.028 200 A CB 0.126 18.003 19.000 -1.872 0.000 1.199 200 A HN 0.555 nan 8.150 nan 0.000 0.499 201 R N 0.562 120.893 120.500 -0.282 0.000 2.323 201 R HA -0.043 4.301 4.340 0.007 0.000 0.198 201 R C 0.754 177.011 176.300 -0.071 0.000 0.988 201 R CA 1.051 57.067 56.100 -0.140 0.000 1.041 201 R CB 0.131 30.400 30.300 -0.052 0.000 0.926 201 R HN 0.669 nan 8.270 nan 0.000 0.476 202 D N -0.427 119.944 120.400 -0.049 0.000 2.349 202 D HA -0.078 4.567 4.640 0.007 0.000 0.215 202 D C 0.454 176.817 176.300 0.105 0.000 1.016 202 D CA -0.153 53.872 54.000 0.042 0.000 0.870 202 D CB -0.511 40.336 40.800 0.078 0.000 0.917 202 D HN -0.005 nan 8.370 nan 0.000 0.524 203 C N 1.994 121.344 119.300 0.083 0.000 2.648 203 C HA 0.386 4.850 4.460 0.007 0.000 0.415 203 C C 1.594 176.731 174.990 0.244 0.000 1.366 203 C CA 0.462 59.612 59.018 0.220 0.000 1.756 203 C CB -0.620 27.279 27.740 0.266 0.000 2.549 203 C HN 0.423 nan 8.230 nan 0.000 0.597 204 S N 2.821 118.704 115.700 0.305 0.000 2.819 204 S HA 0.329 4.804 4.470 0.007 0.000 0.249 204 S C -0.007 174.759 174.600 0.277 0.000 1.030 204 S CA 0.248 58.648 58.200 0.333 0.000 1.052 204 S CB -0.257 63.069 63.200 0.210 0.000 1.017 204 S HN 1.315 nan 8.310 nan 0.000 0.576 205 S N -0.410 115.459 115.700 0.281 0.000 2.625 205 S HA 0.810 5.285 4.470 0.007 0.000 0.271 205 S C 0.792 175.500 174.600 0.179 0.000 1.161 205 S CA -0.263 58.046 58.200 0.183 0.000 0.820 205 S CB 0.879 64.159 63.200 0.133 0.000 1.137 205 S HN 0.537 nan 8.310 nan 0.000 0.470 206 A N 0.530 123.425 122.820 0.126 0.000 1.929 206 A HA 0.006 4.330 4.320 0.007 0.000 0.216 206 A C 2.120 179.727 177.584 0.039 0.000 1.176 206 A CA 1.953 54.062 52.037 0.120 0.000 0.628 206 A CB -1.211 17.899 19.000 0.184 0.000 0.816 206 A HN 0.882 nan 8.150 nan 0.000 0.444 207 Q N 0.136 120.010 119.800 0.123 0.000 2.050 207 Q HA -0.203 4.141 4.340 0.007 0.000 0.202 207 Q C 1.948 177.935 176.000 -0.022 0.000 0.980 207 Q CA 2.220 58.032 55.803 0.015 0.000 0.840 207 Q CB -0.329 28.509 28.738 0.165 0.000 0.898 207 Q HN 0.744 nan 8.270 nan 0.000 0.424 208 E N -0.693 119.549 120.200 0.069 0.000 2.118 208 E HA -0.228 4.126 4.350 0.007 0.000 0.195 208 E C 1.852 178.577 176.600 0.208 0.000 0.992 208 E CA 1.491 57.956 56.400 0.110 0.000 0.804 208 E CB -0.099 29.710 29.700 0.182 0.000 0.741 208 E HN 0.477 nan 8.360 nan 0.000 0.458 209 M N -0.267 119.429 119.600 0.161 0.000 2.117 209 M HA -0.137 4.347 4.480 0.007 0.000 0.262 209 M C 2.137 178.514 176.300 0.128 0.000 1.065 209 M CA 1.151 56.531 55.300 0.135 0.000 1.114 209 M CB -0.412 32.057 32.600 -0.219 0.000 1.361 209 M HN 0.174 nan 8.290 nan 0.000 0.408 210 F N 1.691 121.454 119.950 -0.313 0.000 2.046 210 F HA -0.233 4.300 4.527 0.009 0.000 0.297 210 F C 2.404 178.087 175.800 -0.195 0.000 1.123 210 F CA 2.108 59.849 58.000 -0.433 0.000 1.199 210 F CB -1.029 37.359 39.000 -1.020 0.000 0.972 210 F HN 0.064 nan 8.300 nan 0.000 0.474 211 T N -0.083 114.304 114.554 -0.279 0.000 2.597 211 T HA -0.312 4.042 4.350 0.007 0.000 0.267 211 T C 1.770 176.309 174.700 -0.269 0.000 1.053 211 T CA 2.216 64.113 62.100 -0.339 0.000 1.165 211 T CB -0.974 67.733 68.868 -0.269 0.000 0.863 211 T HN 0.307 nan 8.240 nan 0.000 0.427 212 Y N 0.956 121.206 120.300 -0.082 0.000 2.151 212 Y HA -0.110 4.444 4.550 0.006 0.000 0.284 212 Y C 2.270 178.128 175.900 -0.069 0.000 1.166 212 Y CA 0.748 58.814 58.100 -0.057 0.000 1.163 212 Y CB -0.628 37.893 38.460 0.102 0.000 0.974 212 Y HN 0.244 nan 8.280 nan 0.000 0.511 213 I N -1.923 118.730 120.570 0.138 0.000 2.252 213 I HA -0.324 3.850 4.170 0.007 0.000 0.245 213 I C 2.371 178.449 176.117 -0.064 0.000 1.102 213 I CA 0.865 62.200 61.300 0.058 0.000 1.385 213 I CB -0.522 37.513 38.000 0.059 0.000 1.064 213 I HN 0.238 nan 8.210 nan 0.000 0.414 214 C N 0.883 120.032 119.300 -0.251 0.000 2.429 214 C HA -0.141 4.324 4.460 0.007 0.000 0.277 214 C C 2.652 177.543 174.990 -0.164 0.000 1.262 214 C CA 0.939 59.788 59.018 -0.282 0.000 1.733 214 C CB -1.391 26.051 27.740 -0.497 0.000 2.010 214 C HN 0.549 nan 8.230 nan 0.000 0.483 215 N N 0.015 118.602 118.700 -0.187 0.000 2.120 215 N HA -0.148 4.597 4.740 0.007 0.000 0.188 215 N C 1.396 176.803 175.510 -0.172 0.000 1.024 215 N CA 1.527 54.455 53.050 -0.204 0.000 0.852 215 N CB -0.896 37.407 38.487 -0.306 0.000 1.003 215 N HN 0.733 nan 8.380 nan 0.000 0.424 216 H N 0.384 119.307 119.070 -0.246 0.000 2.289 216 H HA -0.015 4.547 4.556 0.009 0.000 0.296 216 H C 2.066 177.417 175.328 0.039 0.000 1.091 216 H CA 1.885 57.858 56.048 -0.125 0.000 1.274 216 H CB -0.119 29.620 29.762 -0.039 0.000 1.364 216 H HN 0.116 nan 8.280 nan 0.000 0.490 217 I N 0.410 121.123 120.570 0.238 0.000 2.202 217 I HA -0.254 3.920 4.170 0.007 0.000 0.242 217 I C 2.500 178.687 176.117 0.117 0.000 1.091 217 I CA 1.269 62.672 61.300 0.171 0.000 1.368 217 I CB -0.243 37.785 38.000 0.048 0.000 1.058 217 I HN 0.286 nan 8.210 nan 0.000 0.410 218 K N 0.005 120.440 120.400 0.057 0.000 2.020 218 K HA -0.281 4.044 4.320 0.007 0.000 0.212 218 K C 2.254 178.898 176.600 0.074 0.000 1.050 218 K CA 2.218 58.528 56.287 0.038 0.000 0.929 218 K CB -0.506 31.991 32.500 -0.004 0.000 0.714 218 K HN 0.280 nan 8.250 nan 0.000 0.443 219 Y N 1.005 121.300 120.300 -0.008 0.000 2.114 219 Y HA -0.235 4.316 4.550 0.002 0.000 0.284 219 Y C 2.216 178.168 175.900 0.086 0.000 1.143 219 Y CA 1.674 59.800 58.100 0.043 0.000 1.135 219 Y CB -0.337 38.171 38.460 0.080 0.000 0.980 219 Y HN 0.070 nan 8.280 nan 0.000 0.499 220 A N -0.914 122.051 122.820 0.242 0.000 1.969 220 A HA -0.138 4.186 4.320 0.007 0.000 0.218 220 A C 2.170 179.816 177.584 0.104 0.000 1.169 220 A CA 2.130 54.288 52.037 0.201 0.000 0.635 220 A CB -1.185 18.006 19.000 0.317 0.000 0.810 220 A HN 0.528 nan 8.150 nan 0.000 0.445 221 T N -0.380 114.229 114.554 0.090 0.000 2.809 221 T HA -0.062 4.292 4.350 0.007 0.000 0.260 221 T C 1.080 175.789 174.700 0.015 0.000 1.039 221 T CA 1.111 63.256 62.100 0.075 0.000 1.141 221 T CB -0.346 68.564 68.868 0.070 0.000 0.869 221 T HN 0.629 nan 8.240 nan 0.000 0.437 222 N N 1.105 119.784 118.700 -0.035 0.000 2.716 222 N HA -0.255 4.489 4.740 0.007 0.000 0.250 222 N C -0.058 175.425 175.510 -0.044 0.000 1.033 222 N CA 0.599 53.602 53.050 -0.079 0.000 0.727 222 N CB -1.310 37.088 38.487 -0.148 0.000 0.950 222 N HN 0.489 nan 8.380 nan 0.000 0.541 223 R N -2.702 117.786 120.500 -0.021 0.000 3.863 223 R HA -0.240 4.104 4.340 0.007 0.000 0.313 223 R C 1.311 177.599 176.300 -0.019 0.000 1.202 223 R CA 1.347 57.436 56.100 -0.018 0.000 0.852 223 R CB -1.806 28.479 30.300 -0.025 0.000 1.292 223 R HN 0.949 nan 8.270 nan 0.000 0.519 224 G N -0.255 108.541 108.800 -0.006 0.000 2.541 224 G HA2 -0.282 3.682 3.960 0.007 0.000 0.201 224 G HA3 -0.282 3.682 3.960 0.007 0.000 0.201 224 G C -0.040 174.854 174.900 -0.011 0.000 1.026 224 G CA -0.076 45.022 45.100 -0.003 0.000 0.687 224 G HN 0.287 nan 8.290 nan 0.000 0.492 225 N N 1.951 120.629 118.700 -0.037 0.000 2.971 225 N HA 0.404 5.148 4.740 0.007 0.000 0.294 225 N C 0.244 175.724 175.510 -0.050 0.000 1.210 225 N CA -0.241 52.770 53.050 -0.066 0.000 1.157 225 N CB -0.402 38.042 38.487 -0.072 0.000 1.450 225 N HN 0.230 nan 8.380 nan 0.000 0.527 226 L N 2.165 123.382 121.223 -0.010 0.000 2.490 226 L HA 0.151 4.495 4.340 0.007 0.000 0.274 226 L C 0.771 177.764 176.870 0.205 0.000 1.201 226 L CA 0.795 55.709 54.840 0.125 0.000 0.869 226 L CB 0.243 42.465 42.059 0.272 0.000 1.123 226 L HN 0.354 nan 8.230 nan 0.000 0.484 227 R N 1.739 122.363 120.500 0.206 0.000 2.534 227 R HA 0.421 4.765 4.340 0.007 0.000 0.301 227 R C -0.473 176.005 176.300 0.296 0.000 0.961 227 R CA -0.704 55.544 56.100 0.246 0.000 0.871 227 R CB 1.581 31.893 30.300 0.020 0.000 1.170 227 R HN 0.548 nan 8.270 nan 0.000 0.446 228 S N 1.622 117.497 115.700 0.293 0.000 2.537 228 S HA 0.358 4.833 4.470 0.007 0.000 0.286 228 S C -0.219 174.450 174.600 0.116 0.000 1.299 228 S CA -0.063 58.205 58.200 0.113 0.000 1.067 228 S CB 0.910 64.131 63.200 0.035 0.000 0.864 228 S HN 0.689 nan 8.310 nan 0.000 0.494 229 A N 3.182 126.045 122.820 0.072 0.000 2.609 229 A HA 0.853 5.178 4.320 0.007 0.000 0.291 229 A C -1.254 176.394 177.584 0.106 0.000 1.096 229 A CA -0.676 51.353 52.037 -0.014 0.000 0.684 229 A CB 1.278 20.240 19.000 -0.064 0.000 1.282 229 A HN 0.784 nan 8.150 nan 0.000 0.412 230 I N 0.557 121.178 120.570 0.085 0.000 2.644 230 I HA 0.517 4.691 4.170 0.007 0.000 0.291 230 I C -1.165 175.080 176.117 0.214 0.000 1.180 230 I CA -0.074 61.391 61.300 0.275 0.000 1.040 230 I CB 2.291 40.399 38.000 0.180 0.000 1.255 230 I HN 0.619 nan 8.210 nan 0.000 0.422 231 T N 6.505 121.225 114.554 0.277 0.000 2.771 231 T HA 0.435 4.789 4.350 0.007 0.000 0.281 231 T C -0.536 174.000 174.700 -0.272 0.000 0.982 231 T CA -0.359 61.738 62.100 -0.004 0.000 0.978 231 T CB 1.526 70.389 68.868 -0.008 0.000 0.930 231 T HN 0.267 nan 8.240 nan 0.000 0.447 232 V N 5.295 124.948 119.914 -0.434 0.000 2.311 232 V HA 0.422 4.546 4.120 0.007 0.000 0.275 232 V C -0.311 175.426 176.094 -0.594 0.000 1.022 232 V CA -0.807 61.220 62.300 -0.455 0.000 0.830 232 V CB -0.280 31.238 31.823 -0.508 0.000 1.012 232 V HN 0.720 nan 8.190 nan 0.000 0.452 233 F N 5.462 125.285 119.950 -0.212 0.000 2.368 233 F HA 0.473 5.006 4.527 0.009 0.000 0.308 233 F C -1.752 173.934 175.800 -0.191 0.000 1.198 233 F CA -2.300 55.501 58.000 -0.332 0.000 1.130 233 F CB 0.037 38.806 39.000 -0.385 0.000 1.300 233 F HN 0.280 nan 8.300 nan 0.000 0.537 234 P HA 0.054 nan 4.420 nan 0.000 0.271 234 P C -1.188 176.227 177.300 0.191 0.000 1.218 234 P CA -0.443 62.664 63.100 0.011 0.000 0.780 234 P CB 0.330 31.977 31.700 -0.088 0.000 0.901 235 Q N 2.583 122.443 119.800 0.100 0.000 2.394 235 Q HA 0.178 4.523 4.340 0.007 0.000 0.248 235 Q C -0.066 175.886 176.000 -0.080 0.000 0.992 235 Q CA -0.530 55.109 55.803 -0.273 0.000 0.888 235 Q CB 0.597 28.886 28.738 -0.748 0.000 1.257 235 Q HN 0.303 nan 8.270 nan 0.000 0.462 236 R N 0.444 120.880 120.500 -0.108 0.000 2.478 236 R HA 0.024 4.368 4.340 0.007 0.000 0.281 236 R C -0.684 175.582 176.300 -0.057 0.000 0.939 236 R CA 0.931 57.004 56.100 -0.044 0.000 1.120 236 R CB 0.097 30.352 30.300 -0.075 0.000 0.885 236 R HN 0.724 nan 8.270 nan 0.000 0.415 237 A N 6.080 128.900 122.820 -0.000 0.000 2.356 237 A HA 0.574 4.898 4.320 0.007 0.000 0.323 237 A C -2.269 175.314 177.584 -0.002 0.000 1.119 237 A CA -1.700 50.337 52.037 -0.000 0.000 0.790 237 A CB 1.181 20.207 19.000 0.044 0.000 1.273 237 A HN 0.485 nan 8.150 nan 0.000 0.452 238 P HA 0.200 nan 4.420 nan 0.000 0.267 238 P C 0.745 178.049 177.300 0.006 0.000 1.209 238 P CA 1.357 64.456 63.100 -0.002 0.000 0.763 238 P CB 0.368 32.068 31.700 0.000 0.000 0.816 239 G N 2.876 111.678 108.800 0.004 0.000 2.412 239 G HA2 -0.257 3.708 3.960 0.007 0.000 0.297 239 G HA3 -0.257 3.708 3.960 0.007 0.000 0.297 239 G C 0.121 175.026 174.900 0.008 0.000 0.965 239 G CA 0.035 45.138 45.100 0.006 0.000 1.134 239 G HN 0.804 nan 8.290 nan 0.000 0.511 240 R N -0.210 120.294 120.500 0.007 0.000 2.584 240 R HA 0.537 4.881 4.340 0.007 0.000 0.276 240 R C 0.662 176.960 176.300 -0.004 0.000 1.046 240 R CA 0.002 56.105 56.100 0.005 0.000 0.906 240 R CB 1.124 31.437 30.300 0.021 0.000 1.215 240 R HN 0.584 nan 8.270 nan 0.000 0.449 241 G N 2.202 110.986 108.800 -0.027 0.000 2.559 241 G HA2 0.027 3.991 3.960 0.007 0.000 0.235 241 G HA3 0.027 3.991 3.960 0.007 0.000 0.235 241 G C -0.301 174.570 174.900 -0.049 0.000 1.266 241 G CA -0.217 44.862 45.100 -0.036 0.000 0.847 241 G HN 0.552 nan 8.290 nan 0.000 0.583 242 D N -0.292 120.103 120.400 -0.009 0.000 2.329 242 D HA 0.253 4.897 4.640 0.007 0.000 0.246 242 D C -0.082 176.215 176.300 -0.005 0.000 1.111 242 D CA 0.162 54.192 54.000 0.050 0.000 0.941 242 D CB 0.811 41.660 40.800 0.081 0.000 1.169 242 D HN 0.123 nan 8.370 nan 0.000 0.441 243 F N 1.339 121.323 119.950 0.058 0.000 2.438 243 F HA 0.271 4.803 4.527 0.008 0.000 0.356 243 F C 1.043 176.875 175.800 0.053 0.000 1.099 243 F CA 0.021 58.037 58.000 0.027 0.000 1.185 243 F CB 0.602 39.611 39.000 0.014 0.000 1.115 243 F HN -0.220 nan 8.300 nan 0.000 0.526 244 R N 4.066 124.687 120.500 0.202 0.000 2.574 244 R HA 0.476 4.820 4.340 0.007 0.000 0.288 244 R C -1.114 175.330 176.300 0.240 0.000 1.004 244 R CA -0.922 55.321 56.100 0.238 0.000 0.895 244 R CB 1.988 32.473 30.300 0.309 0.000 1.191 244 R HN 0.621 nan 8.270 nan 0.000 0.444 245 I N 3.019 123.715 120.570 0.210 0.000 2.312 245 I HA 0.117 4.291 4.170 0.007 0.000 0.291 245 I C 0.715 177.044 176.117 0.354 0.000 1.031 245 I CA -0.402 61.023 61.300 0.208 0.000 1.293 245 I CB 0.811 38.877 38.000 0.110 0.000 1.403 245 I HN 0.495 nan 8.210 nan 0.000 0.484 246 W N 3.651 124.986 121.300 0.059 0.000 2.355 246 W HA -0.140 4.524 4.660 0.007 0.000 0.309 246 W C 1.056 177.658 176.519 0.138 0.000 1.206 246 W CA 0.331 57.765 57.345 0.148 0.000 1.284 246 W CB -1.051 28.477 29.460 0.115 0.000 1.145 246 W HN 0.415 nan 8.180 nan 0.000 0.502 247 N N 0.280 119.125 118.700 0.241 0.000 2.441 247 N HA 0.007 4.751 4.740 0.007 0.000 0.251 247 N C 1.248 176.808 175.510 0.083 0.000 1.242 247 N CA 0.914 54.030 53.050 0.109 0.000 0.898 247 N CB 0.550 39.040 38.487 0.005 0.000 1.100 247 N HN -0.042 nan 8.380 nan 0.000 0.443 248 S N 0.597 116.335 115.700 0.064 0.000 2.470 248 S HA -0.002 4.472 4.470 0.007 0.000 0.225 248 S C 0.349 174.937 174.600 -0.021 0.000 1.006 248 S CA 0.521 58.747 58.200 0.042 0.000 0.934 248 S CB 0.120 63.360 63.200 0.067 0.000 0.778 248 S HN 0.645 nan 8.310 nan 0.000 0.517 249 Q N -0.706 119.068 119.800 -0.044 0.000 2.456 249 Q HA 0.484 4.828 4.340 0.007 0.000 0.284 249 Q C 0.107 176.018 176.000 -0.149 0.000 1.061 249 Q CA -0.570 55.169 55.803 -0.106 0.000 0.799 249 Q CB 1.966 30.670 28.738 -0.056 0.000 1.445 249 Q HN 0.144 nan 8.270 nan 0.000 0.411 250 L N 0.192 121.299 121.223 -0.193 0.000 2.201 250 L HA 0.037 4.381 4.340 0.007 0.000 0.212 250 L C 0.341 177.047 176.870 -0.273 0.000 1.105 250 L CA 0.805 55.529 54.840 -0.193 0.000 0.775 250 L CB 0.222 42.166 42.059 -0.191 0.000 0.913 250 L HN 0.244 nan 8.230 nan 0.000 0.440 251 V N 0.700 120.354 119.914 -0.434 0.000 2.487 251 V HA 0.519 4.643 4.120 0.007 0.000 0.298 251 V C -0.363 175.226 176.094 -0.842 0.000 1.028 251 V CA -0.696 61.150 62.300 -0.756 0.000 0.860 251 V CB 1.852 32.963 31.823 -1.186 0.000 0.991 251 V HN 0.155 nan 8.190 nan 0.000 0.427 252 R N 2.966 123.075 120.500 -0.651 0.000 2.536 252 R HA 0.405 4.749 4.340 0.007 0.000 0.269 252 R C -1.864 174.219 176.300 -0.363 0.000 1.113 252 R CA -0.719 55.143 56.100 -0.398 0.000 0.948 252 R CB 2.111 32.305 30.300 -0.177 0.000 1.237 252 R HN 0.603 nan 8.270 nan 0.000 0.441 253 Y N 0.722 121.020 120.300 -0.004 0.000 2.299 253 Y HA 0.400 4.955 4.550 0.007 0.000 0.326 253 Y C 1.152 177.020 175.900 -0.053 0.000 1.164 253 Y CA -0.437 57.673 58.100 0.016 0.000 1.234 253 Y CB 0.861 39.399 38.460 0.129 0.000 1.219 253 Y HN 0.671 nan 8.280 nan 0.000 0.497 254 A N 1.760 124.616 122.820 0.059 0.000 2.520 254 A HA 0.463 4.787 4.320 0.007 0.000 0.235 254 A C 0.699 178.055 177.584 -0.380 0.000 1.065 254 A CA 0.384 52.285 52.037 -0.228 0.000 0.764 254 A CB -0.360 18.409 19.000 -0.386 0.000 1.002 254 A HN 0.961 nan 8.150 nan 0.000 0.502 255 G N 1.031 109.602 108.800 -0.383 0.000 2.660 255 G HA2 0.532 4.496 3.960 0.007 0.000 0.305 255 G HA3 0.532 4.496 3.960 0.007 0.000 0.305 255 G C -1.101 173.644 174.900 -0.257 0.000 1.329 255 G CA -0.263 44.662 45.100 -0.293 0.000 1.000 255 G HN 0.512 nan 8.290 nan 0.000 0.514 256 Y N 1.545 121.856 120.300 0.018 0.000 2.404 256 Y HA 0.397 4.951 4.550 0.007 0.000 0.344 256 Y C 1.019 176.916 175.900 -0.005 0.000 0.970 256 Y CA -1.186 56.923 58.100 0.015 0.000 1.180 256 Y CB 1.021 39.486 38.460 0.007 0.000 1.138 256 Y HN 0.504 nan 8.280 nan 0.000 0.510 257 R N 3.178 123.759 120.500 0.134 0.000 2.449 257 R HA 0.088 4.432 4.340 0.007 0.000 0.296 257 R C -0.318 176.022 176.300 0.067 0.000 1.047 257 R CA -0.313 55.830 56.100 0.072 0.000 1.018 257 R CB 0.456 30.785 30.300 0.049 0.000 0.962 257 R HN 0.588 nan 8.270 nan 0.000 0.428 258 Q N 2.743 122.569 119.800 0.044 0.000 2.260 258 Q HA 0.043 4.387 4.340 0.007 0.000 0.242 258 Q C 0.091 176.099 176.000 0.014 0.000 0.932 258 Q CA -0.330 55.489 55.803 0.026 0.000 0.891 258 Q CB 1.436 30.185 28.738 0.018 0.000 1.222 258 Q HN 0.574 nan 8.270 nan 0.000 0.453 259 Q N 0.624 120.427 119.800 0.005 0.000 2.373 259 Q HA -0.035 4.309 4.340 0.007 0.000 0.206 259 Q C -0.505 175.495 176.000 -0.000 0.000 0.942 259 Q CA 0.457 56.261 55.803 0.001 0.000 0.953 259 Q CB -0.009 28.726 28.738 -0.006 0.000 1.022 259 Q HN 0.567 nan 8.270 nan 0.000 0.502 260 D N -3.213 117.188 120.400 0.002 0.000 2.980 260 D HA 0.342 4.986 4.640 0.007 0.000 0.333 260 D C 1.002 177.305 176.300 0.005 0.000 1.356 260 D CA 0.096 54.097 54.000 0.002 0.000 0.847 260 D CB 0.290 41.090 40.800 -0.001 0.000 1.122 260 D HN 0.033 nan 8.370 nan 0.000 0.475 261 G N 0.889 109.693 108.800 0.007 0.000 2.826 261 G HA2 -0.430 3.535 3.960 0.007 0.000 0.235 261 G HA3 -0.430 3.535 3.960 0.007 0.000 0.235 261 G C 0.909 175.816 174.900 0.011 0.000 1.159 261 G CA 0.920 46.026 45.100 0.010 0.000 0.756 261 G HN 0.996 nan 8.290 nan 0.000 0.525 262 S N -0.477 115.228 115.700 0.009 0.000 2.612 262 S HA 0.538 5.012 4.470 0.007 0.000 0.253 262 S C 0.095 174.699 174.600 0.007 0.000 1.346 262 S CA 0.207 58.411 58.200 0.007 0.000 0.976 262 S CB 1.814 65.016 63.200 0.004 0.000 0.949 262 S HN 1.217 nan 8.310 nan 0.000 0.584 263 V N 1.166 121.076 119.914 -0.006 0.000 2.487 263 V HA 0.515 4.639 4.120 0.007 0.000 0.298 263 V C 0.070 176.146 176.094 -0.029 0.000 1.028 263 V CA -0.783 61.509 62.300 -0.014 0.000 0.860 263 V CB 1.493 33.292 31.823 -0.041 0.000 0.991 263 V HN 0.908 nan 8.190 nan 0.000 0.427 264 R N 2.877 123.390 120.500 0.021 0.000 2.265 264 R HA 0.663 5.007 4.340 0.007 0.000 0.319 264 R C 0.647 176.923 176.300 -0.041 0.000 1.006 264 R CA 1.055 57.173 56.100 0.031 0.000 0.880 264 R CB 0.974 31.361 30.300 0.145 0.000 1.077 264 R HN 1.178 nan 8.270 nan 0.000 0.454 265 G N 2.879 111.566 108.800 -0.188 0.000 2.466 265 G HA2 -0.246 3.718 3.960 0.007 0.000 0.218 265 G HA3 -0.246 3.718 3.960 0.007 0.000 0.218 265 G C -1.303 173.253 174.900 -0.572 0.000 1.237 265 G CA -0.120 44.792 45.100 -0.313 0.000 0.954 265 G HN 0.632 nan 8.290 nan 0.000 0.580 266 D N 1.652 121.836 120.400 -0.359 0.000 2.359 266 D HA 0.553 5.197 4.640 0.007 0.000 0.230 266 D C -1.142 175.070 176.300 -0.146 0.000 1.118 266 D CA -1.906 51.911 54.000 -0.306 0.000 0.844 266 D CB 1.545 42.444 40.800 0.166 0.000 1.059 266 D HN -0.001 nan 8.370 nan 0.000 0.493 267 P HA -0.007 nan 4.420 nan 0.000 0.226 267 P C 0.891 178.203 177.300 0.019 0.000 1.153 267 P CA 0.501 63.570 63.100 -0.053 0.000 0.777 267 P CB 0.255 31.935 31.700 -0.034 0.000 0.794 268 A N -0.126 122.730 122.820 0.060 0.000 2.070 268 A HA -0.127 4.197 4.320 0.007 0.000 0.220 268 A C 1.690 179.321 177.584 0.078 0.000 1.159 268 A CA 1.374 53.473 52.037 0.104 0.000 0.656 268 A CB -0.850 18.247 19.000 0.161 0.000 0.800 268 A HN 0.143 nan 8.150 nan 0.000 0.453 269 N N -0.640 118.086 118.700 0.044 0.000 2.234 269 N HA 0.145 4.889 4.740 0.007 0.000 0.227 269 N C 1.060 176.558 175.510 -0.021 0.000 1.151 269 N CA 0.101 53.162 53.050 0.018 0.000 0.865 269 N CB 0.724 39.221 38.487 0.016 0.000 1.066 269 N HN 0.172 nan 8.380 nan 0.000 0.515 270 V N 1.065 120.972 119.914 -0.012 0.000 2.287 270 V HA -0.230 3.894 4.120 0.007 0.000 0.248 270 V C 2.389 178.468 176.094 -0.024 0.000 1.053 270 V CA 1.834 64.123 62.300 -0.018 0.000 1.027 270 V CB -0.135 31.687 31.823 -0.001 0.000 0.646 270 V HN 0.371 nan 8.190 nan 0.000 0.447 271 E N -0.671 119.511 120.200 -0.030 0.000 2.047 271 E HA -0.225 4.129 4.350 0.007 0.000 0.191 271 E C 2.142 178.632 176.600 -0.184 0.000 0.987 271 E CA 1.485 57.831 56.400 -0.091 0.000 0.799 271 E CB -0.129 29.538 29.700 -0.056 0.000 0.752 271 E HN 0.511 nan 8.360 nan 0.000 0.449 272 I N 0.861 121.337 120.570 -0.157 0.000 2.361 272 I HA -0.225 3.949 4.170 0.007 0.000 0.251 272 I C 1.980 178.036 176.117 -0.101 0.000 1.133 272 I CA 1.461 62.658 61.300 -0.171 0.000 1.413 272 I CB -0.261 37.691 38.000 -0.080 0.000 1.073 272 I HN 0.077 nan 8.210 nan 0.000 0.424 273 T N -0.056 114.465 114.554 -0.055 0.000 2.643 273 T HA -0.199 4.155 4.350 0.007 0.000 0.264 273 T C 1.783 176.540 174.700 0.095 0.000 1.045 273 T CA 1.747 63.865 62.100 0.029 0.000 1.155 273 T CB -0.369 68.511 68.868 0.020 0.000 0.863 273 T HN 0.403 nan 8.240 nan 0.000 0.420 274 E N 0.586 120.812 120.200 0.044 0.000 2.147 274 E HA -0.129 4.225 4.350 0.007 0.000 0.199 274 E C 2.114 178.738 176.600 0.040 0.000 1.005 274 E CA 0.950 57.376 56.400 0.043 0.000 0.810 274 E CB -0.314 29.383 29.700 -0.006 0.000 0.736 274 E HN 0.413 nan 8.360 nan 0.000 0.460 275 L N -0.312 120.898 121.223 -0.021 0.000 2.109 275 L HA -0.181 4.163 4.340 0.007 0.000 0.207 275 L C 2.475 179.443 176.870 0.164 0.000 1.086 275 L CA 0.538 55.398 54.840 0.033 0.000 0.760 275 L CB -0.199 41.772 42.059 -0.146 0.000 0.910 275 L HN 0.343 nan 8.230 nan 0.000 0.437 276 C N -0.019 119.333 119.300 0.087 0.000 2.453 276 C HA -0.122 4.343 4.460 0.007 0.000 0.277 276 C C 2.711 177.861 174.990 0.266 0.000 1.262 276 C CA 0.372 59.451 59.018 0.102 0.000 1.718 276 C CB -0.527 27.194 27.740 -0.032 0.000 2.031 276 C HN 0.411 nan 8.230 nan 0.000 0.480 277 I N 0.495 121.249 120.570 0.306 0.000 2.208 277 I HA -0.295 3.880 4.170 0.007 0.000 0.245 277 I C 2.658 178.857 176.117 0.136 0.000 1.097 277 I CA 1.635 63.083 61.300 0.246 0.000 1.363 277 I CB -0.636 37.477 38.000 0.187 0.000 1.051 277 I HN 0.465 nan 8.210 nan 0.000 0.413 278 Q N -0.220 119.647 119.800 0.112 0.000 2.170 278 Q HA -0.204 4.140 4.340 0.007 0.000 0.203 278 Q C 1.149 177.099 176.000 -0.084 0.000 0.976 278 Q CA 1.283 57.090 55.803 0.007 0.000 0.858 278 Q CB -0.052 28.677 28.738 -0.014 0.000 0.907 278 Q HN 0.616 nan 8.270 nan 0.000 0.433 279 H N -1.571 117.497 119.070 -0.004 0.000 2.567 279 H HA 0.268 4.828 4.556 0.007 0.000 0.294 279 H C 0.585 175.896 175.328 -0.029 0.000 1.050 279 H CA 0.534 56.554 56.048 -0.046 0.000 1.168 279 H CB 0.485 30.180 29.762 -0.112 0.000 1.422 279 H HN 0.360 nan 8.280 nan 0.000 0.562 280 G N -0.132 108.725 108.800 0.095 0.000 2.130 280 G HA2 -0.260 3.704 3.960 0.007 0.000 0.216 280 G HA3 -0.260 3.704 3.960 0.007 0.000 0.216 280 G C -0.225 174.752 174.900 0.128 0.000 0.999 280 G CA -0.193 44.945 45.100 0.063 0.000 0.686 280 G HN 0.414 nan 8.290 nan 0.000 0.515 281 W N 2.015 123.301 121.300 -0.024 0.000 2.304 281 W HA 0.641 5.305 4.660 0.007 0.000 0.313 281 W C 0.388 176.904 176.519 -0.004 0.000 1.323 281 W CA -0.142 57.191 57.345 -0.021 0.000 1.223 281 W CB 0.799 30.254 29.460 -0.009 0.000 1.237 281 W HN 0.057 nan 8.180 nan 0.000 0.535 282 T N 9.897 124.211 114.554 -0.400 0.000 2.738 282 T HA 0.159 4.513 4.350 0.007 0.000 0.293 282 T C -2.031 171.963 174.700 -1.176 0.000 0.913 282 T CA -0.751 61.022 62.100 -0.544 0.000 1.103 282 T CB 0.272 68.958 68.868 -0.304 0.000 0.880 282 T HN 0.232 nan 8.240 nan 0.000 0.526 283 P HA 0.326 nan 4.420 nan 0.000 0.277 283 P C 0.449 177.328 177.300 -0.702 0.000 1.240 283 P CA -0.356 61.975 63.100 -1.282 0.000 0.798 283 P CB 0.958 32.332 31.700 -0.543 0.000 0.979 284 G N 1.054 109.603 108.800 -0.419 0.000 2.630 284 G HA2 0.136 4.100 3.960 0.007 0.000 0.223 284 G HA3 0.136 4.100 3.960 0.007 0.000 0.223 284 G C 0.292 174.982 174.900 -0.350 0.000 1.434 284 G CA -0.138 44.865 45.100 -0.162 0.000 1.057 284 G HN 0.575 nan 8.290 nan 0.000 0.570 285 N N -1.607 116.989 118.700 -0.174 0.000 2.039 285 N HA 0.193 4.937 4.740 0.007 0.000 0.228 285 N C 0.378 175.883 175.510 -0.007 0.000 1.369 285 N CA 0.346 53.231 53.050 -0.275 0.000 0.806 285 N CB 0.807 39.185 38.487 -0.183 0.000 1.190 285 N HN 0.636 nan 8.380 nan 0.000 0.506 286 G N -0.528 108.403 108.800 0.218 0.000 2.601 286 G HA2 0.358 4.322 3.960 0.007 0.000 0.317 286 G HA3 0.358 4.322 3.960 0.007 0.000 0.317 286 G C 0.482 175.478 174.900 0.161 0.000 1.246 286 G CA -0.421 44.792 45.100 0.187 0.000 1.012 286 G HN 0.129 nan 8.290 nan 0.000 0.494 287 R N -1.251 119.239 120.500 -0.017 0.000 2.275 287 R HA 0.131 4.475 4.340 0.007 0.000 0.199 287 R C -0.184 175.604 176.300 -0.853 0.000 0.989 287 R CA 0.702 56.564 56.100 -0.398 0.000 1.016 287 R CB 0.033 29.992 30.300 -0.569 0.000 0.918 287 R HN 0.395 nan 8.270 nan 0.000 0.473 288 F N 0.082 120.018 119.950 -0.023 0.000 2.608 288 F HA 0.213 4.744 4.527 0.007 0.000 0.383 288 F C -0.803 175.037 175.800 0.067 0.000 1.371 288 F CA -1.231 56.538 58.000 -0.386 0.000 1.123 288 F CB 0.498 39.123 39.000 -0.625 0.000 1.207 288 F HN -0.270 nan 8.300 nan 0.000 0.512 289 D N 1.668 122.275 120.400 0.344 0.000 2.348 289 D HA 0.172 4.817 4.640 0.007 0.000 0.253 289 D C 0.269 176.821 176.300 0.420 0.000 1.161 289 D CA 0.239 54.484 54.000 0.408 0.000 0.876 289 D CB 2.049 43.138 40.800 0.483 0.000 1.160 289 D HN -0.092 nan 8.370 nan 0.000 0.459 290 V N 3.994 124.100 119.914 0.321 0.000 2.479 290 V HA 0.027 4.152 4.120 0.007 0.000 0.281 290 V C 0.974 177.045 176.094 -0.039 0.000 1.031 290 V CA -0.417 61.944 62.300 0.102 0.000 1.038 290 V CB 0.312 32.164 31.823 0.048 0.000 0.981 290 V HN 0.352 nan 8.190 nan 0.000 0.478 291 L N 8.422 129.519 121.223 -0.210 0.000 2.467 291 L HA 0.280 4.625 4.340 0.007 0.000 0.270 291 L C -1.647 174.935 176.870 -0.479 0.000 1.205 291 L CA -1.253 53.295 54.840 -0.486 0.000 0.828 291 L CB 0.766 42.584 42.059 -0.402 0.000 1.101 291 L HN 0.475 nan 8.230 nan 0.000 0.479 292 P HA 0.176 nan 4.420 nan 0.000 0.276 292 P C -1.030 176.084 177.300 -0.310 0.000 1.252 292 P CA -0.679 62.141 63.100 -0.467 0.000 0.802 292 P CB 0.982 32.306 31.700 -0.627 0.000 1.035 293 L N 1.405 122.530 121.223 -0.163 0.000 2.312 293 L HA 0.284 4.628 4.340 0.007 0.000 0.281 293 L C 0.139 176.950 176.870 -0.098 0.000 1.070 293 L CA -0.383 54.413 54.840 -0.075 0.000 0.805 293 L CB 0.009 42.097 42.059 0.048 0.000 1.174 293 L HN 0.250 nan 8.230 nan 0.000 0.434 294 L N 5.205 126.367 121.223 -0.102 0.000 2.276 294 L HA 0.533 4.877 4.340 0.007 0.000 0.286 294 L C -0.651 176.108 176.870 -0.186 0.000 1.024 294 L CA 0.003 54.708 54.840 -0.225 0.000 0.826 294 L CB 0.870 42.761 42.059 -0.280 0.000 1.211 294 L HN 0.379 nan 8.230 nan 0.000 0.422 295 L N 4.021 125.136 121.223 -0.180 0.000 2.365 295 L HA 0.585 4.929 4.340 0.007 0.000 0.273 295 L C -0.425 176.346 176.870 -0.165 0.000 1.000 295 L CA -0.583 54.207 54.840 -0.082 0.000 0.819 295 L CB 2.152 44.245 42.059 0.056 0.000 1.284 295 L HN 0.517 nan 8.230 nan 0.000 0.418 296 Q N 2.344 122.079 119.800 -0.110 0.000 2.347 296 Q HA 0.608 4.952 4.340 0.007 0.000 0.265 296 Q C -0.881 175.039 176.000 -0.133 0.000 1.024 296 Q CA -0.543 55.186 55.803 -0.123 0.000 0.731 296 Q CB 2.127 30.852 28.738 -0.020 0.000 1.245 296 Q HN 0.798 nan 8.270 nan 0.000 0.472 297 A N 4.997 127.705 122.820 -0.187 0.000 2.386 297 A HA 0.479 4.803 4.320 0.007 0.000 0.248 297 A C -2.300 175.025 177.584 -0.431 0.000 1.082 297 A CA -1.149 50.645 52.037 -0.404 0.000 0.789 297 A CB -0.136 18.739 19.000 -0.208 0.000 1.025 297 A HN 0.575 nan 8.150 nan 0.000 0.490 298 P HA -0.024 nan 4.420 nan 0.000 0.259 298 P C -0.421 176.770 177.300 -0.182 0.000 1.163 298 P CA 1.005 63.880 63.100 -0.375 0.000 0.760 298 P CB 0.126 31.609 31.700 -0.362 0.000 0.762 299 D N 0.240 120.582 120.400 -0.097 0.000 2.983 299 D HA -0.194 4.450 4.640 0.007 0.000 0.225 299 D C -0.141 176.137 176.300 -0.036 0.000 1.174 299 D CA 1.342 55.316 54.000 -0.042 0.000 0.831 299 D CB -0.808 39.972 40.800 -0.034 0.000 1.104 299 D HN 0.572 nan 8.370 nan 0.000 0.421 300 E N -0.751 119.417 120.200 -0.053 0.000 2.312 300 E HA 0.656 5.011 4.350 0.007 0.000 0.267 300 E C -0.085 176.490 176.600 -0.040 0.000 0.894 300 E CA -0.801 55.572 56.400 -0.045 0.000 0.773 300 E CB 1.717 31.378 29.700 -0.064 0.000 1.241 300 E HN 0.147 nan 8.360 nan 0.000 0.432 301 A N 2.915 125.714 122.820 -0.035 0.000 2.466 301 A HA 0.250 4.575 4.320 0.007 0.000 0.238 301 A C -2.113 175.363 177.584 -0.179 0.000 1.074 301 A CA -0.810 51.195 52.037 -0.053 0.000 0.774 301 A CB -0.418 18.573 19.000 -0.015 0.000 1.015 301 A HN 0.297 nan 8.150 nan 0.000 0.498 302 P HA 0.265 nan 4.420 nan 0.000 0.275 302 P C -0.671 176.374 177.300 -0.425 0.000 1.227 302 P CA -0.047 62.701 63.100 -0.587 0.000 0.781 302 P CB 0.814 31.702 31.700 -1.354 0.000 0.906 303 E N 1.040 121.056 120.200 -0.307 0.000 2.242 303 E HA 0.407 4.761 4.350 0.007 0.000 0.275 303 E C -0.646 175.658 176.600 -0.493 0.000 1.002 303 E CA -0.937 55.253 56.400 -0.349 0.000 0.841 303 E CB 1.033 30.574 29.700 -0.265 0.000 1.109 303 E HN 0.289 nan 8.360 nan 0.000 0.394 304 L N 3.189 124.018 121.223 -0.657 0.000 2.289 304 L HA 0.464 4.809 4.340 0.007 0.000 0.285 304 L C -1.638 174.683 176.870 -0.916 0.000 1.049 304 L CA 0.058 54.556 54.840 -0.569 0.000 0.804 304 L CB 0.273 42.129 42.059 -0.339 0.000 1.195 304 L HN 0.426 nan 8.230 nan 0.000 0.428 305 F N 4.497 124.213 119.950 -0.390 0.000 2.579 305 F HA 0.437 4.969 4.527 0.009 0.000 0.325 305 F C -0.379 175.146 175.800 -0.459 0.000 1.162 305 F CA -0.927 56.694 58.000 -0.633 0.000 0.946 305 F CB 1.916 40.233 39.000 -1.139 0.000 1.211 305 F HN 0.069 nan 8.300 nan 0.000 0.447 306 V N 4.927 124.744 119.914 -0.163 0.000 2.432 306 V HA 0.209 4.333 4.120 0.007 0.000 0.271 306 V C 0.297 176.483 176.094 0.153 0.000 1.046 306 V CA -0.672 61.619 62.300 -0.015 0.000 0.945 306 V CB 0.916 32.770 31.823 0.052 0.000 0.992 306 V HN 0.529 nan 8.190 nan 0.000 0.471 307 L N 7.657 128.985 121.223 0.175 0.000 2.455 307 L HA 0.259 4.603 4.340 0.007 0.000 0.272 307 L C -2.044 174.926 176.870 0.166 0.000 1.174 307 L CA -1.344 53.638 54.840 0.237 0.000 0.869 307 L CB 0.255 42.384 42.059 0.116 0.000 1.130 307 L HN 0.459 nan 8.230 nan 0.000 0.474 308 P HA 0.121 nan 4.420 nan 0.000 0.271 308 P C -2.075 175.272 177.300 0.078 0.000 1.226 308 P CA -1.237 61.932 63.100 0.115 0.000 0.765 308 P CB 0.392 32.148 31.700 0.094 0.000 0.835 309 P HA -0.223 nan 4.420 nan 0.000 0.217 309 P C 1.191 178.520 177.300 0.047 0.000 1.151 309 P CA 1.445 64.584 63.100 0.065 0.000 0.849 309 P CB -0.198 31.544 31.700 0.071 0.000 0.787 310 E N -0.969 119.255 120.200 0.040 0.000 2.472 310 E HA -0.105 4.249 4.350 0.007 0.000 0.200 310 E C 1.282 177.894 176.600 0.019 0.000 1.046 310 E CA 0.778 57.194 56.400 0.027 0.000 0.871 310 E CB -0.694 29.020 29.700 0.022 0.000 0.806 310 E HN 0.252 nan 8.360 nan 0.000 0.533 311 L N 0.577 121.812 121.223 0.020 0.000 2.556 311 L HA 0.104 4.449 4.340 0.007 0.000 0.226 311 L C 0.545 177.424 176.870 0.015 0.000 1.089 311 L CA 0.309 55.155 54.840 0.010 0.000 0.864 311 L CB 0.667 42.724 42.059 -0.004 0.000 1.067 311 L HN -0.139 nan 8.230 nan 0.000 0.477 312 V N 1.706 121.632 119.914 0.020 0.000 2.304 312 V HA 0.194 4.318 4.120 0.007 0.000 0.262 312 V C 0.036 176.154 176.094 0.040 0.000 1.061 312 V CA -0.747 61.563 62.300 0.016 0.000 0.872 312 V CB 0.860 32.681 31.823 -0.002 0.000 1.077 312 V HN 0.014 nan 8.190 nan 0.000 0.480 313 L N 5.656 126.910 121.223 0.052 0.000 2.361 313 L HA 0.378 4.722 4.340 0.007 0.000 0.278 313 L C 0.297 177.209 176.870 0.070 0.000 1.113 313 L CA 0.834 55.701 54.840 0.045 0.000 0.849 313 L CB 0.260 42.340 42.059 0.036 0.000 1.155 313 L HN 0.651 nan 8.230 nan 0.000 0.452 314 E N 3.415 123.636 120.200 0.036 0.000 2.281 314 E HA 0.606 4.960 4.350 0.007 0.000 0.262 314 E C -1.354 175.192 176.600 -0.090 0.000 0.933 314 E CA -1.078 55.337 56.400 0.026 0.000 0.809 314 E CB 2.376 32.118 29.700 0.070 0.000 1.242 314 E HN 0.354 nan 8.360 nan 0.000 0.418 315 V N 2.715 122.533 119.914 -0.160 0.000 2.407 315 V HA 0.291 4.415 4.120 0.007 0.000 0.291 315 V C -2.425 173.581 176.094 -0.147 0.000 1.018 315 V CA -2.031 60.105 62.300 -0.272 0.000 0.842 315 V CB 1.378 32.780 31.823 -0.702 0.000 0.996 315 V HN 0.526 nan 8.190 nan 0.000 0.426 316 P HA 0.295 nan 4.420 nan 0.000 0.271 316 P C -0.691 176.596 177.300 -0.021 0.000 1.216 316 P CA -0.079 62.980 63.100 -0.069 0.000 0.771 316 P CB 0.607 32.278 31.700 -0.048 0.000 0.864 317 L N 3.748 124.996 121.223 0.041 0.000 2.289 317 L HA 0.501 4.846 4.340 0.007 0.000 0.285 317 L C 0.809 177.798 176.870 0.198 0.000 1.049 317 L CA -0.212 54.704 54.840 0.127 0.000 0.804 317 L CB 0.783 42.979 42.059 0.229 0.000 1.195 317 L HN 0.492 nan 8.230 nan 0.000 0.428 318 E N 1.410 121.666 120.200 0.093 0.000 2.390 318 E HA 0.363 4.718 4.350 0.007 0.000 0.277 318 E C -1.318 175.223 176.600 -0.099 0.000 0.939 318 E CA -0.945 55.515 56.400 0.099 0.000 0.769 318 E CB 1.920 31.686 29.700 0.109 0.000 1.251 318 E HN 0.448 nan 8.360 nan 0.000 0.450 319 H N 2.104 120.981 119.070 -0.321 0.000 2.481 319 H HA 0.179 4.739 4.556 0.007 0.000 0.339 319 H C -1.565 173.523 175.328 -0.401 0.000 1.131 319 H CA -2.011 53.760 56.048 -0.462 0.000 1.301 319 H CB 1.693 31.123 29.762 -0.553 0.000 1.476 319 H HN 0.455 nan 8.280 nan 0.000 0.529 320 P HA -0.127 nan 4.420 nan 0.000 0.218 320 P C 1.089 178.192 177.300 -0.328 0.000 1.149 320 P CA 1.798 64.368 63.100 -0.884 0.000 0.817 320 P CB 0.353 31.479 31.700 -0.957 0.000 0.785 321 T N -4.536 109.983 114.554 -0.059 0.000 2.954 321 T HA 0.187 4.541 4.350 0.007 0.000 0.252 321 T C 0.728 175.401 174.700 -0.046 0.000 0.983 321 T CA -0.181 61.916 62.100 -0.005 0.000 0.941 321 T CB -0.616 68.254 68.868 0.003 0.000 1.141 321 T HN -0.091 nan 8.240 nan 0.000 0.500 322 L N 2.735 123.889 121.223 -0.116 0.000 2.295 322 L HA 0.426 4.770 4.340 0.007 0.000 0.288 322 L C 1.165 177.695 176.870 -0.566 0.000 1.079 322 L CA -0.358 54.121 54.840 -0.601 0.000 0.830 322 L CB 0.815 42.142 42.059 -1.220 0.000 1.200 322 L HN 0.275 nan 8.230 nan 0.000 0.438 323 E N 3.619 123.616 120.200 -0.338 0.000 2.274 323 E HA -0.145 4.209 4.350 0.007 0.000 0.194 323 E C 1.404 177.987 176.600 -0.027 0.000 0.996 323 E CA 0.994 57.329 56.400 -0.109 0.000 0.840 323 E CB 0.111 29.814 29.700 0.006 0.000 0.772 323 E HN 0.812 nan 8.360 nan 0.000 0.491 324 W N -0.373 120.984 121.300 0.095 0.000 3.047 324 W HA 0.082 4.746 4.660 0.007 0.000 0.250 324 W C 1.266 177.846 176.519 0.103 0.000 1.314 324 W CA -0.398 56.991 57.345 0.073 0.000 1.540 324 W CB -0.625 28.852 29.460 0.030 0.000 1.127 324 W HN -0.079 nan 8.180 nan 0.000 0.679 325 F N 3.133 122.922 119.950 -0.269 0.000 2.171 325 F HA -0.028 4.503 4.527 0.007 0.000 0.300 325 F C 2.620 178.460 175.800 0.068 0.000 1.090 325 F CA 2.351 60.290 58.000 -0.102 0.000 1.293 325 F CB -0.669 38.118 39.000 -0.355 0.000 1.013 325 F HN -0.084 nan 8.300 nan 0.000 0.486 326 A N 0.045 123.042 122.820 0.296 0.000 2.024 326 A HA -0.094 4.230 4.320 0.007 0.000 0.220 326 A C 2.275 179.951 177.584 0.153 0.000 1.164 326 A CA 1.617 53.782 52.037 0.214 0.000 0.643 326 A CB -1.390 17.692 19.000 0.137 0.000 0.806 326 A HN 0.417 nan 8.150 nan 0.000 0.451 327 A N -1.221 121.696 122.820 0.161 0.000 2.206 327 A HA 0.269 4.594 4.320 0.007 0.000 0.211 327 A C 1.634 179.274 177.584 0.094 0.000 1.158 327 A CA 0.698 52.811 52.037 0.126 0.000 0.761 327 A CB -0.273 18.815 19.000 0.146 0.000 0.801 327 A HN 0.342 nan 8.150 nan 0.000 0.473 328 L N -0.829 120.435 121.223 0.069 0.000 2.291 328 L HA 0.083 4.427 4.340 0.007 0.000 0.214 328 L C 1.875 178.779 176.870 0.057 0.000 1.120 328 L CA 1.310 56.159 54.840 0.015 0.000 0.799 328 L CB -1.554 40.418 42.059 -0.144 0.000 0.925 328 L HN 0.654 nan 8.230 nan 0.000 0.446 329 G N -0.085 108.752 108.800 0.061 0.000 2.221 329 G HA2 -0.290 3.675 3.960 0.007 0.000 0.265 329 G HA3 -0.290 3.675 3.960 0.007 0.000 0.265 329 G C 0.323 175.216 174.900 -0.012 0.000 1.041 329 G CA 0.314 45.444 45.100 0.049 0.000 0.807 329 G HN 0.323 nan 8.290 nan 0.000 0.502 330 L N -0.139 121.068 121.223 -0.028 0.000 2.418 330 L HA 0.776 5.120 4.340 0.007 0.000 0.265 330 L C 1.114 177.779 176.870 -0.341 0.000 1.143 330 L CA -0.596 54.151 54.840 -0.155 0.000 0.809 330 L CB 0.872 42.972 42.059 0.069 0.000 1.124 330 L HN 0.551 nan 8.230 nan 0.000 0.456 331 R N 1.546 121.654 120.500 -0.654 0.000 2.692 331 R HA 0.451 4.795 4.340 0.007 0.000 0.269 331 R C -2.144 174.113 176.300 -0.071 0.000 1.030 331 R CA -0.939 54.937 56.100 -0.373 0.000 0.882 331 R CB 1.739 31.749 30.300 -0.483 0.000 1.250 331 R HN 0.652 nan 8.270 nan 0.000 0.465 332 W N 1.963 123.206 121.300 -0.094 0.000 3.029 332 W HA 0.414 5.078 4.660 0.006 0.000 0.339 332 W C -1.114 175.478 176.519 0.120 0.000 1.198 332 W CA -1.018 56.356 57.345 0.048 0.000 1.148 332 W CB 2.162 31.587 29.460 -0.057 0.000 1.451 332 W HN 0.680 nan 8.180 nan 0.000 0.564 333 Y N 0.685 120.962 120.300 -0.038 0.000 2.307 333 Y HA 0.589 5.143 4.550 0.006 0.000 0.324 333 Y C 0.744 176.862 175.900 0.364 0.000 1.238 333 Y CA -0.209 57.925 58.100 0.056 0.000 1.280 333 Y CB 0.360 38.732 38.460 -0.146 0.000 1.248 333 Y HN 0.363 nan 8.280 nan 0.000 0.508 334 A N 2.206 125.293 122.820 0.445 0.000 1.970 334 A HA 0.053 4.377 4.320 0.007 0.000 0.216 334 A C 0.439 178.366 177.584 0.572 0.000 1.170 334 A CA 0.652 52.971 52.037 0.469 0.000 0.645 334 A CB -0.330 18.806 19.000 0.226 0.000 0.816 334 A HN 0.692 nan 8.150 nan 0.000 0.447 335 L N 1.528 123.065 121.223 0.523 0.000 2.294 335 L HA 0.452 4.796 4.340 0.007 0.000 0.283 335 L C -2.674 174.357 176.870 0.268 0.000 1.015 335 L CA -2.215 52.815 54.840 0.318 0.000 0.831 335 L CB 1.898 44.076 42.059 0.198 0.000 1.217 335 L HN -0.063 nan 8.230 nan 0.000 0.420 336 P HA 0.323 nan 4.420 nan 0.000 0.283 336 P C -1.353 175.860 177.300 -0.145 0.000 1.412 336 P CA -0.259 62.734 63.100 -0.179 0.000 0.912 336 P CB 1.237 32.407 31.700 -0.883 0.000 1.132 337 A N 4.565 127.307 122.820 -0.130 0.000 2.409 337 A HA 0.458 4.782 4.320 0.007 0.000 0.300 337 A C -0.235 177.132 177.584 -0.362 0.000 1.273 337 A CA -0.651 51.234 52.037 -0.253 0.000 0.774 337 A CB 0.814 19.684 19.000 -0.217 0.000 1.144 337 A HN 0.299 nan 8.150 nan 0.000 0.472 338 V N 2.602 122.133 119.914 -0.639 0.000 2.546 338 V HA 0.397 4.521 4.120 0.007 0.000 0.284 338 V C 1.064 176.776 176.094 -0.637 0.000 1.050 338 V CA 0.859 62.765 62.300 -0.656 0.000 0.981 338 V CB 1.492 32.774 31.823 -0.902 0.000 0.990 338 V HN 1.092 nan 8.190 nan 0.000 0.474 339 S N 1.160 116.679 115.700 -0.302 0.000 2.817 339 S HA 0.032 4.506 4.470 0.007 0.000 0.262 339 S C 0.816 175.407 174.600 -0.015 0.000 1.051 339 S CA 0.077 58.188 58.200 -0.149 0.000 1.185 339 S CB -0.394 62.748 63.200 -0.097 0.000 1.152 339 S HN 0.903 nan 8.310 nan 0.000 0.653 340 N N 0.698 119.393 118.700 -0.009 0.000 2.236 340 N HA 0.242 4.987 4.740 0.007 0.000 0.196 340 N C 0.383 175.960 175.510 0.112 0.000 1.114 340 N CA -0.439 52.644 53.050 0.055 0.000 0.859 340 N CB 0.031 38.541 38.487 0.038 0.000 0.982 340 N HN 0.258 nan 8.380 nan 0.000 0.493 341 M N 1.370 121.066 119.600 0.160 0.000 2.255 341 M HA 0.245 4.730 4.480 0.007 0.000 0.336 341 M C -0.380 176.101 176.300 0.301 0.000 1.135 341 M CA -0.607 54.858 55.300 0.275 0.000 1.145 341 M CB 2.109 34.942 32.600 0.389 0.000 1.473 341 M HN 0.136 nan 8.290 nan 0.000 0.462 342 L N 3.080 124.466 121.223 0.272 0.000 2.289 342 L HA 0.464 4.808 4.340 0.007 0.000 0.285 342 L C -1.210 175.798 176.870 0.230 0.000 1.049 342 L CA -0.848 54.123 54.840 0.219 0.000 0.804 342 L CB 1.075 43.206 42.059 0.121 0.000 1.195 342 L HN 0.574 nan 8.230 nan 0.000 0.428 343 L N 5.480 126.828 121.223 0.208 0.000 2.262 343 L HA 0.433 4.777 4.340 0.007 0.000 0.288 343 L C -0.433 176.467 176.870 0.049 0.000 1.035 343 L CA 0.214 55.056 54.840 0.002 0.000 0.820 343 L CB 1.046 43.104 42.059 -0.000 0.000 1.204 343 L HN 0.612 nan 8.230 nan 0.000 0.424 344 E N 6.493 126.637 120.200 -0.093 0.000 2.156 344 E HA 0.398 4.753 4.350 0.007 0.000 0.279 344 E C -1.525 174.992 176.600 -0.137 0.000 0.965 344 E CA -0.408 55.942 56.400 -0.083 0.000 0.789 344 E CB 1.118 30.767 29.700 -0.084 0.000 1.098 344 E HN 0.729 nan 8.360 nan 0.000 0.397 345 I N 2.513 123.002 120.570 -0.136 0.000 2.512 345 I HA 0.246 4.420 4.170 0.007 0.000 0.287 345 I C 0.786 176.704 176.117 -0.332 0.000 1.069 345 I CA -0.760 60.352 61.300 -0.313 0.000 1.056 345 I CB 2.060 39.825 38.000 -0.391 0.000 1.229 345 I HN 0.778 nan 8.210 nan 0.000 0.429 346 G N 4.325 112.962 108.800 -0.271 0.000 2.450 346 G HA2 -0.083 3.881 3.960 0.007 0.000 0.302 346 G HA3 -0.083 3.881 3.960 0.007 0.000 0.302 346 G C 1.025 175.984 174.900 0.097 0.000 0.957 346 G CA 1.047 46.162 45.100 0.024 0.000 1.005 346 G HN 1.498 nan 8.290 nan 0.000 0.514 347 G N -1.243 107.566 108.800 0.015 0.000 2.659 347 G HA2 -0.241 3.723 3.960 0.007 0.000 0.212 347 G HA3 -0.241 3.723 3.960 0.007 0.000 0.212 347 G C 0.687 175.540 174.900 -0.079 0.000 1.226 347 G CA 0.073 45.183 45.100 0.017 0.000 0.739 347 G HN 1.293 nan 8.290 nan 0.000 0.528 348 L N 1.530 122.657 121.223 -0.161 0.000 2.543 348 L HA 0.390 4.734 4.340 0.007 0.000 0.285 348 L C 0.465 177.084 176.870 -0.418 0.000 1.236 348 L CA 0.660 55.273 54.840 -0.380 0.000 0.871 348 L CB 0.312 42.038 42.059 -0.555 0.000 1.121 348 L HN 0.401 nan 8.230 nan 0.000 0.501 349 E N 2.542 122.425 120.200 -0.529 0.000 2.224 349 E HA 0.400 4.754 4.350 0.007 0.000 0.265 349 E C -1.465 174.842 176.600 -0.488 0.000 0.878 349 E CA -0.421 55.769 56.400 -0.350 0.000 0.759 349 E CB 1.613 31.206 29.700 -0.178 0.000 1.164 349 E HN 0.251 nan 8.360 nan 0.000 0.414 350 F N 2.093 122.031 119.950 -0.020 0.000 2.311 350 F HA 0.121 4.653 4.527 0.009 0.000 0.371 350 F C 1.472 177.324 175.800 0.087 0.000 1.083 350 F CA -0.508 57.508 58.000 0.027 0.000 1.113 350 F CB 1.259 40.258 39.000 -0.000 0.000 1.349 350 F HN 0.447 nan 8.300 nan 0.000 0.470 351 S N 1.505 117.335 115.700 0.218 0.000 2.447 351 S HA 0.069 4.543 4.470 0.007 0.000 0.233 351 S C 0.937 175.685 174.600 0.246 0.000 1.006 351 S CA 0.504 58.822 58.200 0.197 0.000 0.957 351 S CB 0.007 63.300 63.200 0.154 0.000 0.773 351 S HN 0.509 nan 8.310 nan 0.000 0.507 352 A N 0.594 123.605 122.820 0.318 0.000 2.586 352 A HA 0.820 5.144 4.320 0.007 0.000 0.320 352 A C -0.045 177.799 177.584 0.434 0.000 1.281 352 A CA -0.197 52.047 52.037 0.344 0.000 0.775 352 A CB 0.544 19.719 19.000 0.291 0.000 1.122 352 A HN 0.806 nan 8.150 nan 0.000 0.470 353 A N 3.902 126.925 122.820 0.338 0.000 3.317 353 A HA 0.658 4.982 4.320 0.007 0.000 0.307 353 A C -2.899 174.859 177.584 0.290 0.000 1.003 353 A CA -1.214 50.988 52.037 0.274 0.000 0.882 353 A CB 0.266 19.415 19.000 0.248 0.000 1.136 353 A HN 0.480 nan 8.150 nan 0.000 0.488 354 P HA 0.388 nan 4.420 nan 0.000 0.268 354 P C -0.713 176.625 177.300 0.064 0.000 1.204 354 P CA 0.420 63.523 63.100 0.005 0.000 0.768 354 P CB 0.341 31.992 31.700 -0.081 0.000 0.842 355 F N -0.337 119.567 119.950 -0.077 0.000 2.620 355 F HA 0.816 5.347 4.527 0.006 0.000 0.320 355 F C -0.622 175.098 175.800 -0.132 0.000 1.069 355 F CA -1.186 56.772 58.000 -0.069 0.000 0.953 355 F CB 1.601 40.473 39.000 -0.213 0.000 1.322 355 F HN 0.418 nan 8.300 nan 0.000 0.479 356 S N -0.129 115.662 115.700 0.152 0.000 2.550 356 S HA 0.916 5.390 4.470 0.007 0.000 0.270 356 S C -0.847 173.726 174.600 -0.046 0.000 1.145 356 S CA -0.168 58.048 58.200 0.028 0.000 0.852 356 S CB 1.384 64.658 63.200 0.124 0.000 1.119 356 S HN 1.546 nan 8.310 nan 0.000 0.465 357 G N -0.011 108.712 108.800 -0.128 0.000 3.366 357 G HA2 0.747 4.711 3.960 0.007 0.000 0.179 357 G HA3 0.747 4.711 3.960 0.007 0.000 0.179 357 G C -1.549 173.352 174.900 0.002 0.000 1.143 357 G CA -0.291 44.665 45.100 -0.240 0.000 0.810 357 G HN 1.201 nan 8.290 nan 0.000 0.697 358 W N -1.388 119.923 121.300 0.018 0.000 3.031 358 W HA 0.815 5.478 4.660 0.005 0.000 0.337 358 W C -1.672 174.859 176.519 0.020 0.000 1.187 358 W CA -2.201 55.169 57.345 0.041 0.000 1.166 358 W CB 0.462 29.988 29.460 0.109 0.000 1.437 358 W HN 0.398 nan 8.180 nan 0.000 0.551 359 Y N 2.654 123.152 120.300 0.330 0.000 2.397 359 Y HA 0.228 4.782 4.550 0.007 0.000 0.335 359 Y C 0.975 176.954 175.900 0.131 0.000 1.213 359 Y CA -0.557 57.623 58.100 0.133 0.000 1.391 359 Y CB 0.999 39.458 38.460 -0.003 0.000 1.293 359 Y HN 0.454 nan 8.280 nan 0.000 0.557 360 M N 2.128 121.890 119.600 0.269 0.000 2.216 360 M HA 0.139 4.623 4.480 0.007 0.000 0.356 360 M C 1.310 177.614 176.300 0.006 0.000 1.205 360 M CA -0.061 55.320 55.300 0.136 0.000 1.122 360 M CB 1.070 33.726 32.600 0.095 0.000 1.571 360 M HN 0.870 nan 8.290 nan 0.000 0.464 361 S N 1.423 117.090 115.700 -0.056 0.000 2.402 361 S HA -0.169 4.305 4.470 0.007 0.000 0.233 361 S C 1.407 175.886 174.600 -0.202 0.000 1.030 361 S CA 2.056 60.151 58.200 -0.174 0.000 1.003 361 S CB -1.062 62.085 63.200 -0.089 0.000 0.813 361 S HN 0.927 nan 8.310 nan 0.000 0.477 362 T N -0.506 113.960 114.554 -0.146 0.000 2.995 362 T HA 0.095 4.449 4.350 0.007 0.000 0.269 362 T C 1.530 176.093 174.700 -0.229 0.000 1.091 362 T CA 0.978 62.949 62.100 -0.215 0.000 1.128 362 T CB -0.508 68.207 68.868 -0.256 0.000 0.891 362 T HN 0.601 nan 8.240 nan 0.000 0.492 363 E N 0.937 121.020 120.200 -0.194 0.000 2.110 363 E HA -0.026 4.329 4.350 0.007 0.000 0.193 363 E C 1.907 178.253 176.600 -0.424 0.000 0.988 363 E CA 1.262 57.547 56.400 -0.191 0.000 0.804 363 E CB -0.265 29.456 29.700 0.035 0.000 0.745 363 E HN 0.599 nan 8.360 nan 0.000 0.458 364 I N -0.198 119.987 120.570 -0.641 0.000 2.512 364 I HA -0.003 4.172 4.170 0.007 0.000 0.247 364 I C 2.535 178.310 176.117 -0.571 0.000 1.094 364 I CA 0.738 61.484 61.300 -0.925 0.000 1.427 364 I CB -0.390 36.958 38.000 -1.086 0.000 1.149 364 I HN 0.084 nan 8.210 nan 0.000 0.438 365 G N 0.283 108.848 108.800 -0.392 0.000 2.408 365 G HA2 -0.158 3.806 3.960 0.007 0.000 0.217 365 G HA3 -0.158 3.806 3.960 0.007 0.000 0.217 365 G C 1.617 176.408 174.900 -0.182 0.000 1.150 365 G CA 1.520 46.482 45.100 -0.229 0.000 0.776 365 G HN 0.277 nan 8.290 nan 0.000 0.542 366 T N -0.258 114.167 114.554 -0.215 0.000 2.980 366 T HA 0.115 4.469 4.350 0.007 0.000 0.239 366 T C 2.535 177.128 174.700 -0.179 0.000 1.011 366 T CA 0.206 62.198 62.100 -0.180 0.000 1.171 366 T CB 0.109 68.857 68.868 -0.202 0.000 0.873 366 T HN -0.003 nan 8.240 nan 0.000 0.431 367 R N 1.747 122.124 120.500 -0.204 0.000 2.052 367 R HA 0.070 4.414 4.340 0.007 0.000 0.226 367 R C 2.052 178.246 176.300 -0.177 0.000 1.145 367 R CA 1.243 57.236 56.100 -0.180 0.000 0.952 367 R CB -1.008 29.199 30.300 -0.155 0.000 0.847 367 R HN 0.348 nan 8.270 nan 0.000 0.431 368 D N 0.971 121.223 120.400 -0.246 0.000 2.097 368 D HA -0.101 4.543 4.640 0.007 0.000 0.195 368 D C 2.082 178.325 176.300 -0.094 0.000 0.989 368 D CA 1.069 54.925 54.000 -0.240 0.000 0.827 368 D CB -0.141 40.221 40.800 -0.729 0.000 0.966 368 D HN 0.142 nan 8.370 nan 0.000 0.456 369 L N -0.420 120.691 121.223 -0.188 0.000 2.270 369 L HA 0.015 4.359 4.340 0.007 0.000 0.210 369 L C 1.850 178.744 176.870 0.040 0.000 1.104 369 L CA 0.441 55.263 54.840 -0.030 0.000 0.804 369 L CB 0.210 42.225 42.059 -0.073 0.000 0.937 369 L HN 0.101 nan 8.230 nan 0.000 0.450 370 C N -1.861 117.421 119.300 -0.030 0.000 3.188 370 C HA 0.175 4.639 4.460 0.007 0.000 0.315 370 C C 0.732 175.685 174.990 -0.061 0.000 1.285 370 C CA -0.895 58.110 59.018 -0.021 0.000 1.729 370 C CB -0.131 27.587 27.740 -0.037 0.000 2.257 370 C HN 0.293 nan 8.230 nan 0.000 0.645 371 D N 2.617 122.937 120.400 -0.133 0.000 2.472 371 D HA 0.059 4.703 4.640 0.007 0.000 0.237 371 D C -1.439 174.744 176.300 -0.195 0.000 1.141 371 D CA -0.986 52.864 54.000 -0.250 0.000 0.875 371 D CB 0.572 41.053 40.800 -0.532 0.000 1.192 371 D HN 0.151 nan 8.370 nan 0.000 0.450 372 P HA -0.131 nan 4.420 nan 0.000 0.219 372 P C 0.728 178.044 177.300 0.027 0.000 1.146 372 P CA 1.209 64.316 63.100 0.012 0.000 0.808 372 P CB -0.023 31.732 31.700 0.091 0.000 0.779 373 H N -2.914 116.167 119.070 0.018 0.000 2.517 373 H HA 0.345 4.905 4.556 0.007 0.000 0.282 373 H C 0.878 176.213 175.328 0.013 0.000 1.023 373 H CA -0.143 55.912 56.048 0.012 0.000 1.169 373 H CB 0.156 29.924 29.762 0.011 0.000 1.454 373 H HN -0.015 nan 8.280 nan 0.000 0.556 374 R N -0.100 120.312 120.500 -0.147 0.000 3.006 374 R HA 0.169 4.513 4.340 0.007 0.000 0.150 374 R C 1.168 177.445 176.300 -0.038 0.000 1.285 374 R CA -0.777 55.288 56.100 -0.057 0.000 0.813 374 R CB -0.759 29.532 30.300 -0.014 0.000 1.582 374 R HN 0.073 nan 8.270 nan 0.000 0.441 375 Y N 1.566 121.885 120.300 0.031 0.000 2.315 375 Y HA -0.121 4.434 4.550 0.007 0.000 0.288 375 Y C 0.891 176.810 175.900 0.031 0.000 1.154 375 Y CA 1.710 59.840 58.100 0.050 0.000 1.229 375 Y CB -0.220 38.308 38.460 0.114 0.000 0.980 375 Y HN 0.581 nan 8.280 nan 0.000 0.540 376 N N 0.497 119.282 118.700 0.141 0.000 2.738 376 N HA -0.214 4.530 4.740 0.007 0.000 0.249 376 N C 0.456 176.034 175.510 0.113 0.000 1.047 376 N CA 0.352 53.454 53.050 0.087 0.000 0.707 376 N CB -1.110 37.411 38.487 0.057 0.000 0.937 376 N HN 0.603 nan 8.380 nan 0.000 0.545 377 I N -3.292 117.357 120.570 0.131 0.000 3.793 377 I HA 0.009 4.183 4.170 0.007 0.000 0.315 377 I C 1.858 178.050 176.117 0.125 0.000 1.275 377 I CA -0.349 61.025 61.300 0.124 0.000 1.214 377 I CB -0.047 38.029 38.000 0.126 0.000 1.018 377 I HN 0.097 nan 8.210 nan 0.000 0.439 378 L N 1.760 123.069 121.223 0.143 0.000 1.990 378 L HA -0.222 4.122 4.340 0.007 0.000 0.213 378 L C 2.565 179.609 176.870 0.290 0.000 1.072 378 L CA 2.014 56.974 54.840 0.200 0.000 0.755 378 L CB -0.988 41.174 42.059 0.172 0.000 0.889 378 L HN 0.426 nan 8.230 nan 0.000 0.432 379 E N -1.002 119.360 120.200 0.271 0.000 2.077 379 E HA -0.236 4.118 4.350 0.007 0.000 0.193 379 E C 1.758 178.372 176.600 0.023 0.000 0.989 379 E CA 1.286 57.773 56.400 0.144 0.000 0.800 379 E CB 0.058 29.791 29.700 0.054 0.000 0.746 379 E HN 0.514 nan 8.360 nan 0.000 0.452 380 D N -0.100 120.318 120.400 0.030 0.000 2.104 380 D HA -0.155 4.489 4.640 0.007 0.000 0.194 380 D C 2.006 178.281 176.300 -0.042 0.000 0.994 380 D CA 0.943 54.930 54.000 -0.021 0.000 0.830 380 D CB -0.210 40.590 40.800 -0.001 0.000 0.959 380 D HN 0.089 nan 8.370 nan 0.000 0.452 381 V N 1.117 121.054 119.914 0.039 0.000 2.379 381 V HA -0.164 3.960 4.120 0.007 0.000 0.245 381 V C 2.459 178.609 176.094 0.095 0.000 1.044 381 V CA 1.632 63.990 62.300 0.097 0.000 1.036 381 V CB -0.661 31.285 31.823 0.205 0.000 0.664 381 V HN 0.180 nan 8.190 nan 0.000 0.453 382 A N -0.421 122.472 122.820 0.123 0.000 1.969 382 A HA -0.127 4.197 4.320 0.007 0.000 0.218 382 A C 2.375 179.932 177.584 -0.044 0.000 1.169 382 A CA 1.742 53.850 52.037 0.119 0.000 0.635 382 A CB -0.536 18.619 19.000 0.259 0.000 0.810 382 A HN 0.326 nan 8.150 nan 0.000 0.445 383 V N -0.894 118.944 119.914 -0.127 0.000 2.358 383 V HA -0.302 3.822 4.120 0.007 0.000 0.246 383 V C 2.590 178.529 176.094 -0.259 0.000 1.047 383 V CA 2.070 64.255 62.300 -0.192 0.000 1.035 383 V CB -0.860 30.849 31.823 -0.189 0.000 0.658 383 V HN 0.721 nan 8.190 nan 0.000 0.452 384 C N -0.561 118.509 119.300 -0.383 0.000 2.435 384 C HA -0.109 4.355 4.460 0.007 0.000 0.279 384 C C 2.619 177.212 174.990 -0.663 0.000 1.321 384 C CA 0.892 59.434 59.018 -0.792 0.000 1.752 384 C CB -0.955 25.910 27.740 -1.457 0.000 1.959 384 C HN 0.519 nan 8.230 nan 0.000 0.500 385 M N -0.135 119.334 119.600 -0.218 0.000 2.595 385 M HA 0.032 4.516 4.480 0.007 0.000 0.248 385 M C 0.572 176.879 176.300 0.011 0.000 1.119 385 M CA 0.968 56.316 55.300 0.081 0.000 1.079 385 M CB -0.274 32.455 32.600 0.214 0.000 1.472 385 M HN 0.280 nan 8.290 nan 0.000 0.501 386 D N 0.845 121.197 120.400 -0.079 0.000 2.873 386 D HA -0.128 4.516 4.640 0.007 0.000 0.228 386 D C -0.834 175.443 176.300 -0.039 0.000 1.122 386 D CA 0.372 54.328 54.000 -0.074 0.000 0.758 386 D CB -1.035 39.731 40.800 -0.055 0.000 1.094 386 D HN 0.277 nan 8.370 nan 0.000 0.434 387 L N -0.207 120.999 121.223 -0.030 0.000 2.439 387 L HA 0.418 4.763 4.340 0.007 0.000 0.259 387 L C 0.871 177.695 176.870 -0.075 0.000 1.129 387 L CA -0.772 54.072 54.840 0.006 0.000 0.803 387 L CB 0.578 42.701 42.059 0.107 0.000 1.161 387 L HN 0.024 nan 8.230 nan 0.000 0.462 388 D N 0.148 120.525 120.400 -0.039 0.000 2.374 388 D HA 0.045 4.689 4.640 0.007 0.000 0.240 388 D C 0.889 177.020 176.300 -0.282 0.000 1.229 388 D CA -0.201 53.735 54.000 -0.107 0.000 0.895 388 D CB 0.970 41.757 40.800 -0.022 0.000 1.046 388 D HN 0.593 nan 8.370 nan 0.000 0.498 389 T N 0.860 115.069 114.554 -0.575 0.000 3.107 389 T HA 0.114 4.468 4.350 0.007 0.000 0.249 389 T C 1.541 175.918 174.700 -0.538 0.000 1.096 389 T CA -0.007 61.366 62.100 -1.212 0.000 1.012 389 T CB 0.051 68.081 68.868 -1.397 0.000 0.977 389 T HN 0.219 nan 8.240 nan 0.000 0.527 390 R N 0.647 121.004 120.500 -0.240 0.000 2.236 390 R HA 0.201 4.545 4.340 0.007 0.000 0.208 390 R C 1.073 177.393 176.300 0.032 0.000 1.036 390 R CA 0.694 56.743 56.100 -0.084 0.000 1.001 390 R CB 0.070 30.329 30.300 -0.067 0.000 0.896 390 R HN 0.383 nan 8.270 nan 0.000 0.464 391 T N -2.171 112.443 114.554 0.101 0.000 2.901 391 T HA 0.170 4.524 4.350 0.007 0.000 0.293 391 T C 1.128 176.033 174.700 0.341 0.000 1.084 391 T CA -0.534 61.674 62.100 0.180 0.000 1.008 391 T CB 1.760 70.693 68.868 0.108 0.000 1.170 391 T HN 0.165 nan 8.240 nan 0.000 0.509 392 T N -0.366 114.320 114.554 0.220 0.000 2.978 392 T HA -0.001 4.354 4.350 0.007 0.000 0.262 392 T C 2.022 176.771 174.700 0.082 0.000 1.063 392 T CA 1.243 63.425 62.100 0.137 0.000 1.140 392 T CB -0.609 68.289 68.868 0.050 0.000 0.886 392 T HN 0.619 nan 8.240 nan 0.000 0.470 393 S N 2.174 117.929 115.700 0.091 0.000 2.603 393 S HA -0.018 4.456 4.470 0.007 0.000 0.229 393 S C 2.090 176.736 174.600 0.077 0.000 0.972 393 S CA 0.643 58.878 58.200 0.060 0.000 0.935 393 S CB -0.798 62.430 63.200 0.048 0.000 0.769 393 S HN 0.702 nan 8.310 nan 0.000 0.536 394 S N 1.907 117.691 115.700 0.140 0.000 2.522 394 S HA 0.154 4.628 4.470 0.007 0.000 0.227 394 S C 1.040 175.720 174.600 0.133 0.000 0.986 394 S CA 0.281 58.576 58.200 0.158 0.000 0.929 394 S CB -1.018 62.325 63.200 0.238 0.000 0.769 394 S HN 0.639 nan 8.310 nan 0.000 0.529 395 L N 0.846 122.108 121.223 0.064 0.000 3.737 395 L HA -0.179 4.165 4.340 0.007 0.000 0.418 395 L C 1.631 178.500 176.870 -0.001 0.000 1.216 395 L CA 0.782 55.603 54.840 -0.032 0.000 0.915 395 L CB -2.536 39.516 42.059 -0.012 0.000 1.834 395 L HN 0.757 nan 8.230 nan 0.000 0.943 396 W N 0.202 121.512 121.300 0.016 0.000 2.363 396 W HA -0.132 4.532 4.660 0.007 0.000 0.296 396 W C 1.718 178.251 176.519 0.024 0.000 1.212 396 W CA 1.283 58.640 57.345 0.020 0.000 1.260 396 W CB -0.719 28.749 29.460 0.014 0.000 1.131 396 W HN 0.279 nan 8.180 nan 0.000 0.530 397 K N 1.162 121.137 120.400 -0.708 0.000 2.057 397 K HA -0.155 4.169 4.320 0.007 0.000 0.207 397 K C 1.464 177.935 176.600 -0.216 0.000 1.049 397 K CA 2.256 58.190 56.287 -0.588 0.000 0.931 397 K CB -0.493 31.492 32.500 -0.858 0.000 0.714 397 K HN 0.100 nan 8.250 nan 0.000 0.440 398 D N 1.016 121.305 120.400 -0.185 0.000 2.144 398 D HA -0.118 4.526 4.640 0.007 0.000 0.199 398 D C 1.749 178.042 176.300 -0.011 0.000 0.984 398 D CA 1.173 55.121 54.000 -0.087 0.000 0.834 398 D CB -0.020 40.735 40.800 -0.076 0.000 0.955 398 D HN 0.158 nan 8.370 nan 0.000 0.465 399 K N 0.576 120.994 120.400 0.029 0.000 2.026 399 K HA -0.044 4.280 4.320 0.007 0.000 0.208 399 K C 2.230 178.895 176.600 0.107 0.000 1.048 399 K CA 1.259 57.593 56.287 0.079 0.000 0.929 399 K CB -0.192 32.376 32.500 0.113 0.000 0.713 399 K HN 0.104 nan 8.250 nan 0.000 0.439 400 A N 1.539 124.441 122.820 0.137 0.000 1.898 400 A HA -0.065 4.259 4.320 0.007 0.000 0.216 400 A C 2.401 180.067 177.584 0.137 0.000 1.181 400 A CA 1.663 53.808 52.037 0.179 0.000 0.620 400 A CB -0.723 18.416 19.000 0.232 0.000 0.819 400 A HN 0.326 nan 8.150 nan 0.000 0.442 401 A N -0.445 122.414 122.820 0.066 0.000 1.948 401 A HA -0.077 4.247 4.320 0.007 0.000 0.220 401 A C 2.224 179.826 177.584 0.030 0.000 1.177 401 A CA 2.032 54.084 52.037 0.023 0.000 0.636 401 A CB -0.912 18.064 19.000 -0.039 0.000 0.815 401 A HN 0.413 nan 8.150 nan 0.000 0.449 402 V N 0.082 120.023 119.914 0.045 0.000 2.323 402 V HA -0.165 3.959 4.120 0.007 0.000 0.244 402 V C 2.483 178.628 176.094 0.084 0.000 1.041 402 V CA 1.949 64.281 62.300 0.054 0.000 1.025 402 V CB -0.676 31.185 31.823 0.063 0.000 0.656 402 V HN 0.518 nan 8.190 nan 0.000 0.451 403 E N -0.014 120.265 120.200 0.131 0.000 2.150 403 E HA -0.119 4.235 4.350 0.007 0.000 0.193 403 E C 2.133 178.825 176.600 0.154 0.000 0.985 403 E CA 1.100 57.620 56.400 0.200 0.000 0.814 403 E CB -0.230 29.573 29.700 0.172 0.000 0.752 403 E HN 0.570 nan 8.360 nan 0.000 0.466 404 I N 1.666 122.340 120.570 0.173 0.000 2.202 404 I HA -0.262 3.912 4.170 0.007 0.000 0.242 404 I C 2.201 178.326 176.117 0.014 0.000 1.091 404 I CA 0.816 62.226 61.300 0.183 0.000 1.368 404 I CB -0.306 37.833 38.000 0.232 0.000 1.058 404 I HN 0.066 nan 8.210 nan 0.000 0.410 405 N N 0.736 119.432 118.700 -0.007 0.000 2.061 405 N HA -0.224 4.520 4.740 0.007 0.000 0.193 405 N C 1.916 177.391 175.510 -0.059 0.000 1.030 405 N CA 1.465 54.485 53.050 -0.050 0.000 0.856 405 N CB -0.352 38.114 38.487 -0.035 0.000 1.023 405 N HN 0.194 nan 8.380 nan 0.000 0.424 406 L N 1.463 122.654 121.223 -0.053 0.000 2.083 406 L HA -0.040 4.304 4.340 0.007 0.000 0.209 406 L C 2.211 178.951 176.870 -0.217 0.000 1.083 406 L CA 1.401 56.170 54.840 -0.118 0.000 0.752 406 L CB -0.793 41.181 42.059 -0.142 0.000 0.899 406 L HN 0.078 nan 8.230 nan 0.000 0.433 407 A N -1.373 121.275 122.820 -0.286 0.000 1.969 407 A HA -0.098 4.226 4.320 0.007 0.000 0.218 407 A C 2.246 179.733 177.584 -0.162 0.000 1.169 407 A CA 1.667 53.467 52.037 -0.395 0.000 0.635 407 A CB -0.914 17.510 19.000 -0.961 0.000 0.810 407 A HN 0.294 nan 8.150 nan 0.000 0.445 408 V N -0.075 119.774 119.914 -0.108 0.000 2.295 408 V HA -0.254 3.870 4.120 0.007 0.000 0.246 408 V C 2.555 178.647 176.094 -0.003 0.000 1.049 408 V CA 2.011 64.285 62.300 -0.044 0.000 1.024 408 V CB -0.755 30.960 31.823 -0.180 0.000 0.648 408 V HN 0.562 nan 8.190 nan 0.000 0.447 409 L N -0.533 120.659 121.223 -0.053 0.000 2.027 409 L HA -0.202 4.143 4.340 0.007 0.000 0.206 409 L C 2.612 179.506 176.870 0.040 0.000 1.074 409 L CA 2.131 56.958 54.840 -0.022 0.000 0.745 409 L CB -0.797 41.247 42.059 -0.025 0.000 0.898 409 L HN 0.459 nan 8.230 nan 0.000 0.433 410 H N -0.659 118.361 119.070 -0.083 0.000 2.387 410 H HA -0.113 4.447 4.556 0.008 0.000 0.299 410 H C 2.260 177.565 175.328 -0.037 0.000 1.090 410 H CA 1.819 57.809 56.048 -0.096 0.000 1.332 410 H CB 0.129 29.768 29.762 -0.205 0.000 1.386 410 H HN 0.174 nan 8.280 nan 0.000 0.516 411 S N -0.441 115.200 115.700 -0.098 0.000 2.357 411 S HA -0.062 4.412 4.470 0.007 0.000 0.221 411 S C 1.824 176.382 174.600 -0.070 0.000 1.031 411 S CA 0.944 59.069 58.200 -0.126 0.000 0.982 411 S CB -0.397 62.809 63.200 0.010 0.000 0.853 411 S HN 0.314 nan 8.310 nan 0.000 0.458 412 F N 2.347 122.227 119.950 -0.117 0.000 2.126 412 F HA -0.132 4.399 4.527 0.006 0.000 0.299 412 F C 2.664 178.405 175.800 -0.099 0.000 1.096 412 F CA 1.154 59.112 58.000 -0.071 0.000 1.255 412 F CB -0.690 38.295 39.000 -0.026 0.000 0.997 412 F HN 0.230 nan 8.300 nan 0.000 0.479 413 Q N -0.511 119.320 119.800 0.051 0.000 2.050 413 Q HA -0.222 4.122 4.340 0.007 0.000 0.202 413 Q C 2.268 178.204 176.000 -0.107 0.000 0.980 413 Q CA 1.611 57.394 55.803 -0.035 0.000 0.840 413 Q CB -0.628 28.082 28.738 -0.045 0.000 0.898 413 Q HN 0.360 nan 8.270 nan 0.000 0.424 414 L N 0.568 121.661 121.223 -0.216 0.000 2.079 414 L HA -0.120 4.224 4.340 0.007 0.000 0.210 414 L C 1.944 178.725 176.870 -0.148 0.000 1.081 414 L CA 2.026 56.730 54.840 -0.226 0.000 0.752 414 L CB -0.491 41.347 42.059 -0.369 0.000 0.896 414 L HN 0.123 nan 8.230 nan 0.000 0.433 415 A N -1.395 121.336 122.820 -0.149 0.000 2.238 415 A HA 0.036 4.360 4.320 0.007 0.000 0.208 415 A C 0.814 178.335 177.584 -0.104 0.000 1.177 415 A CA 0.135 52.089 52.037 -0.138 0.000 0.804 415 A CB -0.356 18.521 19.000 -0.205 0.000 0.823 415 A HN 0.444 nan 8.150 nan 0.000 0.482 416 K N -0.993 119.359 120.400 -0.079 0.000 3.096 416 K HA -0.130 4.194 4.320 0.007 0.000 0.266 416 K C -0.664 175.912 176.600 -0.040 0.000 1.043 416 K CA 0.771 57.025 56.287 -0.055 0.000 0.758 416 K CB -2.557 29.910 32.500 -0.055 0.000 1.260 416 K HN 0.283 nan 8.250 nan 0.000 0.481 417 V N 1.202 121.108 119.914 -0.013 0.000 2.495 417 V HA 0.167 4.291 4.120 0.007 0.000 0.298 417 V C 0.738 176.924 176.094 0.154 0.000 1.031 417 V CA -0.649 61.678 62.300 0.045 0.000 0.871 417 V CB 2.062 33.861 31.823 -0.039 0.000 0.988 417 V HN 0.281 nan 8.190 nan 0.000 0.432 418 T N 6.382 120.983 114.554 0.077 0.000 2.871 418 T HA 0.396 4.750 4.350 0.007 0.000 0.296 418 T C -0.261 174.514 174.700 0.126 0.000 0.998 418 T CA 0.861 62.933 62.100 -0.048 0.000 1.162 418 T CB 0.036 68.718 68.868 -0.309 0.000 0.947 418 T HN 0.530 nan 8.240 nan 0.000 0.536 419 I N 2.558 123.142 120.570 0.023 0.000 3.004 419 I HA 0.659 4.833 4.170 0.007 0.000 0.305 419 I C -1.513 174.626 176.117 0.036 0.000 1.312 419 I CA -0.971 60.363 61.300 0.056 0.000 0.992 419 I CB 2.076 40.001 38.000 -0.124 0.000 1.282 419 I HN 0.432 nan 8.210 nan 0.000 0.449 420 V N 4.767 124.760 119.914 0.131 0.000 2.638 420 V HA 0.488 4.612 4.120 0.007 0.000 0.306 420 V C -1.259 174.881 176.094 0.077 0.000 1.052 420 V CA -0.319 62.057 62.300 0.127 0.000 0.885 420 V CB 2.160 34.142 31.823 0.265 0.000 0.999 420 V HN 0.875 nan 8.190 nan 0.000 0.424 421 D N 3.915 124.338 120.400 0.038 0.000 2.354 421 D HA 0.199 4.844 4.640 0.007 0.000 0.247 421 D C 1.227 177.511 176.300 -0.027 0.000 1.138 421 D CA 0.061 54.066 54.000 0.008 0.000 0.958 421 D CB 0.551 41.331 40.800 -0.033 0.000 1.144 421 D HN 0.726 nan 8.370 nan 0.000 0.458 422 H N 0.086 119.091 119.070 -0.109 0.000 2.491 422 H HA -0.116 4.444 4.556 0.007 0.000 0.290 422 H C 0.850 176.061 175.328 -0.196 0.000 1.050 422 H CA 1.188 57.131 56.048 -0.176 0.000 1.309 422 H CB -0.506 29.097 29.762 -0.266 0.000 1.392 422 H HN 0.530 nan 8.280 nan 0.000 0.554 423 H N 1.164 120.019 119.070 -0.358 0.000 2.317 423 H HA 0.166 4.726 4.556 0.007 0.000 0.304 423 H C 2.543 177.844 175.328 -0.045 0.000 1.067 423 H CA 1.174 57.120 56.048 -0.170 0.000 1.352 423 H CB -0.322 29.313 29.762 -0.212 0.000 1.398 423 H HN 0.473 nan 8.280 nan 0.000 0.510 424 A N 1.643 124.513 122.820 0.083 0.000 1.917 424 A HA -0.170 4.154 4.320 0.007 0.000 0.219 424 A C 2.688 180.336 177.584 0.108 0.000 1.182 424 A CA 2.049 54.137 52.037 0.085 0.000 0.633 424 A CB -0.876 18.165 19.000 0.069 0.000 0.819 424 A HN 0.453 nan 8.150 nan 0.000 0.448 425 A N -0.317 122.564 122.820 0.101 0.000 1.841 425 A HA -0.096 4.228 4.320 0.007 0.000 0.214 425 A C 2.496 180.168 177.584 0.148 0.000 1.195 425 A CA 2.761 54.876 52.037 0.131 0.000 0.611 425 A CB -1.577 17.488 19.000 0.108 0.000 0.835 425 A HN 0.802 nan 8.150 nan 0.000 0.443 426 T N -2.006 112.618 114.554 0.116 0.000 2.720 426 T HA -0.162 4.192 4.350 0.007 0.000 0.268 426 T C 1.709 176.540 174.700 0.218 0.000 1.037 426 T CA 1.630 63.827 62.100 0.161 0.000 1.144 426 T CB -1.071 67.860 68.868 0.105 0.000 0.864 426 T HN 0.063 nan 8.240 nan 0.000 0.444 427 V N 2.808 122.822 119.914 0.167 0.000 2.282 427 V HA -0.215 3.909 4.120 0.007 0.000 0.249 427 V C 3.191 179.381 176.094 0.160 0.000 1.057 427 V CA 2.378 64.769 62.300 0.150 0.000 1.032 427 V CB -1.094 30.798 31.823 0.115 0.000 0.645 427 V HN 0.845 nan 8.190 nan 0.000 0.447 428 S N -0.869 114.935 115.700 0.174 0.000 2.481 428 S HA -0.155 4.319 4.470 0.007 0.000 0.231 428 S C 1.850 176.585 174.600 0.224 0.000 0.996 428 S CA 1.263 59.567 58.200 0.173 0.000 0.942 428 S CB -0.591 62.710 63.200 0.169 0.000 0.768 428 S HN 0.552 nan 8.310 nan 0.000 0.520 429 F N 2.022 122.035 119.950 0.104 0.000 2.293 429 F HA 0.235 4.766 4.527 0.006 0.000 0.297 429 F C 2.118 178.007 175.800 0.148 0.000 1.089 429 F CA 0.828 58.903 58.000 0.125 0.000 1.377 429 F CB -0.250 38.802 39.000 0.087 0.000 1.051 429 F HN 0.097 nan 8.300 nan 0.000 0.511 430 M N 0.198 119.871 119.600 0.122 0.000 2.159 430 M HA -0.168 4.316 4.480 0.007 0.000 0.263 430 M C 2.177 178.456 176.300 -0.034 0.000 1.063 430 M CA 1.458 56.768 55.300 0.017 0.000 1.110 430 M CB -1.226 31.434 32.600 0.099 0.000 1.374 430 M HN 0.086 nan 8.290 nan 0.000 0.411 431 K N -0.227 120.189 120.400 0.025 0.000 2.057 431 K HA -0.206 4.118 4.320 0.007 0.000 0.207 431 K C 2.009 178.604 176.600 -0.009 0.000 1.049 431 K CA 1.714 58.013 56.287 0.021 0.000 0.931 431 K CB -0.512 32.023 32.500 0.059 0.000 0.714 431 K HN 0.366 nan 8.250 nan 0.000 0.440 432 H N 0.024 119.025 119.070 -0.116 0.000 2.352 432 H HA -0.044 4.516 4.556 0.007 0.000 0.299 432 H C 1.665 176.849 175.328 -0.241 0.000 1.097 432 H CA 2.173 58.127 56.048 -0.155 0.000 1.311 432 H CB -0.155 29.509 29.762 -0.164 0.000 1.377 432 H HN 0.179 nan 8.280 nan 0.000 0.504 433 L N -0.339 120.617 121.223 -0.446 0.000 2.046 433 L HA -0.161 4.184 4.340 0.007 0.000 0.208 433 L C 2.272 178.986 176.870 -0.261 0.000 1.077 433 L CA 1.839 56.425 54.840 -0.423 0.000 0.747 433 L CB -0.436 41.417 42.059 -0.343 0.000 0.896 433 L HN 0.396 nan 8.230 nan 0.000 0.432 434 D N -0.257 120.039 120.400 -0.174 0.000 2.117 434 D HA -0.177 4.467 4.640 0.007 0.000 0.198 434 D C 1.938 178.170 176.300 -0.113 0.000 0.982 434 D CA 1.062 54.995 54.000 -0.110 0.000 0.828 434 D CB 0.156 40.919 40.800 -0.062 0.000 0.967 434 D HN 0.179 nan 8.370 nan 0.000 0.464 435 N N 0.666 119.291 118.700 -0.125 0.000 2.043 435 N HA -0.149 4.596 4.740 0.007 0.000 0.193 435 N C 1.634 177.064 175.510 -0.134 0.000 1.037 435 N CA 0.921 53.915 53.050 -0.094 0.000 0.851 435 N CB -0.390 38.069 38.487 -0.046 0.000 1.027 435 N HN 0.307 nan 8.380 nan 0.000 0.422 436 E N 0.750 120.790 120.200 -0.266 0.000 2.153 436 E HA -0.170 4.184 4.350 0.007 0.000 0.194 436 E C 1.907 178.412 176.600 -0.159 0.000 0.988 436 E CA 0.629 56.874 56.400 -0.260 0.000 0.811 436 E CB -0.141 29.296 29.700 -0.438 0.000 0.746 436 E HN 0.332 nan 8.360 nan 0.000 0.466 437 Q N 1.455 121.168 119.800 -0.144 0.000 2.061 437 Q HA -0.140 4.204 4.340 0.007 0.000 0.204 437 Q C 1.850 177.806 176.000 -0.073 0.000 0.984 437 Q CA 1.798 57.545 55.803 -0.093 0.000 0.846 437 Q CB -0.065 28.626 28.738 -0.078 0.000 0.902 437 Q HN 0.091 nan 8.270 nan 0.000 0.421 438 K N -0.788 119.572 120.400 -0.068 0.000 2.057 438 K HA -0.014 4.310 4.320 0.007 0.000 0.206 438 K C 1.940 178.513 176.600 -0.044 0.000 1.050 438 K CA 1.269 57.527 56.287 -0.048 0.000 0.935 438 K CB -0.254 32.224 32.500 -0.038 0.000 0.715 438 K HN 0.271 nan 8.250 nan 0.000 0.439 439 A N 0.579 123.372 122.820 -0.044 0.000 1.898 439 A HA -0.024 4.300 4.320 0.007 0.000 0.214 439 A C 1.850 179.411 177.584 -0.039 0.000 1.183 439 A CA 1.148 53.169 52.037 -0.026 0.000 0.622 439 A CB 0.014 19.016 19.000 0.002 0.000 0.824 439 A HN 0.118 nan 8.150 nan 0.000 0.444 440 R N -2.860 117.603 120.500 -0.062 0.000 2.453 440 R HA 0.249 4.594 4.340 0.007 0.000 0.233 440 R C 0.867 177.131 176.300 -0.060 0.000 0.895 440 R CA 0.659 56.724 56.100 -0.058 0.000 1.028 440 R CB 0.829 31.086 30.300 -0.072 0.000 1.255 440 R HN 0.706 nan 8.270 nan 0.000 0.571 441 G N 0.661 109.420 108.800 -0.069 0.000 2.134 441 G HA2 -0.132 3.832 3.960 0.007 0.000 0.209 441 G HA3 -0.132 3.832 3.960 0.007 0.000 0.209 441 G C 0.174 175.044 174.900 -0.048 0.000 0.993 441 G CA -0.143 44.909 45.100 -0.079 0.000 0.669 441 G HN 0.721 nan 8.290 nan 0.000 0.519 442 G N -2.265 106.516 108.800 -0.031 0.000 2.356 442 G HA2 0.518 4.482 3.960 0.007 0.000 0.300 442 G HA3 0.518 4.482 3.960 0.007 0.000 0.300 442 G C -0.875 174.030 174.900 0.009 0.000 1.331 442 G CA 0.328 45.439 45.100 0.019 0.000 0.905 442 G HN 1.831 nan 8.290 nan 0.000 0.587 443 C N 2.226 121.551 119.300 0.042 0.000 2.620 443 C HA 0.726 5.190 4.460 0.007 0.000 0.356 443 C C -2.417 172.561 174.990 -0.020 0.000 1.082 443 C CA -1.292 57.709 59.018 -0.028 0.000 1.293 443 C CB 1.085 28.749 27.740 -0.127 0.000 1.836 443 C HN 0.695 nan 8.230 nan 0.000 0.453 444 P HA 0.381 nan 4.420 nan 0.000 0.267 444 P C -0.656 176.560 177.300 -0.140 0.000 1.205 444 P CA 0.632 63.406 63.100 -0.543 0.000 0.765 444 P CB 0.926 31.993 31.700 -1.056 0.000 0.828 445 A N 2.412 125.221 122.820 -0.019 0.000 2.547 445 A HA 0.468 4.792 4.320 0.007 0.000 0.297 445 A C -1.358 176.300 177.584 0.123 0.000 1.056 445 A CA -0.518 51.597 52.037 0.130 0.000 0.688 445 A CB 1.437 20.627 19.000 0.316 0.000 1.282 445 A HN 0.442 nan 8.150 nan 0.000 0.400 446 D N 1.570 122.033 120.400 0.105 0.000 2.460 446 D HA 0.209 4.853 4.640 0.007 0.000 0.232 446 D C 0.605 177.052 176.300 0.245 0.000 1.079 446 D CA -0.494 53.594 54.000 0.148 0.000 0.864 446 D CB 0.548 41.361 40.800 0.022 0.000 1.048 446 D HN 0.575 nan 8.370 nan 0.000 0.523 447 W N 4.195 125.553 121.300 0.098 0.000 2.335 447 W HA -0.188 4.476 4.660 0.007 0.000 0.311 447 W C 1.958 178.520 176.519 0.072 0.000 1.213 447 W CA 2.113 59.496 57.345 0.064 0.000 1.274 447 W CB 0.033 29.502 29.460 0.016 0.000 1.148 447 W HN 0.566 nan 8.180 nan 0.000 0.498 448 A N -1.390 121.724 122.820 0.490 0.000 2.131 448 A HA -0.191 4.133 4.320 0.007 0.000 0.220 448 A C 1.305 178.944 177.584 0.092 0.000 1.158 448 A CA 1.629 53.860 52.037 0.323 0.000 0.665 448 A CB -1.073 18.139 19.000 0.353 0.000 0.795 448 A HN 0.568 nan 8.150 nan 0.000 0.460 449 W N -1.733 119.542 121.300 -0.042 0.000 2.871 449 W HA 0.294 4.958 4.660 0.007 0.000 0.267 449 W C 1.747 178.162 176.519 -0.173 0.000 1.180 449 W CA -0.267 57.033 57.345 -0.075 0.000 1.463 449 W CB 0.187 29.630 29.460 -0.029 0.000 0.966 449 W HN 0.091 nan 8.180 nan 0.000 0.605 450 I N -0.028 120.516 120.570 -0.043 0.000 2.480 450 I HA -0.033 4.141 4.170 0.007 0.000 0.251 450 I C 0.624 176.546 176.117 -0.325 0.000 1.124 450 I CA 0.798 61.937 61.300 -0.269 0.000 1.444 450 I CB -1.209 36.556 38.000 -0.392 0.000 1.098 450 I HN -0.428 nan 8.210 nan 0.000 0.428 451 V N 4.999 124.643 119.914 -0.450 0.000 2.529 451 V HA 0.058 4.182 4.120 0.007 0.000 0.292 451 V C -1.670 174.263 176.094 -0.270 0.000 1.028 451 V CA -0.906 61.124 62.300 -0.450 0.000 1.074 451 V CB 0.118 31.471 31.823 -0.784 0.000 0.958 451 V HN 0.165 nan 8.190 nan 0.000 0.481 452 P HA 0.214 nan 4.420 nan 0.000 0.272 452 P C -2.185 174.994 177.300 -0.202 0.000 1.240 452 P CA -1.546 61.440 63.100 -0.190 0.000 0.791 452 P CB 0.217 31.810 31.700 -0.178 0.000 0.978 453 P HA 0.115 nan 4.420 nan 0.000 0.245 453 P C 0.357 177.539 177.300 -0.198 0.000 1.206 453 P CA 0.740 63.722 63.100 -0.196 0.000 0.781 453 P CB 0.115 31.695 31.700 -0.200 0.000 0.994 454 I N -5.834 114.573 120.570 -0.271 0.000 2.740 454 I HA 0.487 4.661 4.170 0.007 0.000 0.303 454 I C 0.073 176.056 176.117 -0.222 0.000 1.044 454 I CA -1.220 59.933 61.300 -0.246 0.000 1.064 454 I CB 1.881 39.707 38.000 -0.290 0.000 1.249 454 I HN -0.387 nan 8.210 nan 0.000 0.433 455 S N 2.098 117.727 115.700 -0.118 0.000 3.521 455 S HA -0.207 4.267 4.470 0.007 0.000 0.328 455 S C 1.414 175.981 174.600 -0.055 0.000 1.165 455 S CA 0.795 58.968 58.200 -0.044 0.000 0.941 455 S CB -1.888 61.357 63.200 0.075 0.000 0.951 455 S HN 1.327 nan 8.310 nan 0.000 0.539 456 G N 2.602 111.350 108.800 -0.087 0.000 2.855 456 G HA2 -0.418 3.546 3.960 0.007 0.000 0.227 456 G HA3 -0.418 3.546 3.960 0.007 0.000 0.227 456 G C 1.489 176.273 174.900 -0.194 0.000 1.245 456 G CA 2.169 47.236 45.100 -0.054 0.000 0.781 456 G HN 1.490 nan 8.290 nan 0.000 0.666 457 S N -0.136 115.155 115.700 -0.683 0.000 2.537 457 S HA 0.074 4.548 4.470 0.007 0.000 0.240 457 S C 2.004 176.532 174.600 -0.121 0.000 0.981 457 S CA 1.122 58.820 58.200 -0.836 0.000 0.948 457 S CB -0.093 62.496 63.200 -1.018 0.000 0.759 457 S HN 0.096 nan 8.310 nan 0.000 0.531 458 L N 2.322 123.526 121.223 -0.033 0.000 2.554 458 L HA 0.254 4.598 4.340 0.007 0.000 0.226 458 L C 1.259 178.247 176.870 0.197 0.000 1.137 458 L CA 0.702 55.609 54.840 0.112 0.000 0.863 458 L CB -0.998 41.157 42.059 0.160 0.000 0.985 458 L HN 0.621 nan 8.230 nan 0.000 0.451 459 T N -4.671 109.983 114.554 0.167 0.000 2.888 459 T HA 0.412 4.766 4.350 0.007 0.000 0.284 459 T C -1.811 173.036 174.700 0.245 0.000 1.017 459 T CA -1.885 60.329 62.100 0.190 0.000 1.022 459 T CB 2.101 71.033 68.868 0.106 0.000 1.013 459 T HN -0.177 nan 8.240 nan 0.000 0.465 460 P HA -0.062 nan 4.420 nan 0.000 0.221 460 P C 1.849 179.348 177.300 0.331 0.000 1.150 460 P CA 0.859 64.144 63.100 0.309 0.000 0.800 460 P CB -0.342 31.491 31.700 0.223 0.000 0.787 461 V N -3.369 116.689 119.914 0.240 0.000 2.490 461 V HA -0.227 3.897 4.120 0.007 0.000 0.250 461 V C 2.320 178.511 176.094 0.161 0.000 1.061 461 V CA 1.381 63.797 62.300 0.193 0.000 1.064 461 V CB -2.293 29.577 31.823 0.078 0.000 0.670 461 V HN -0.115 nan 8.190 nan 0.000 0.461 462 F N 2.051 121.964 119.950 -0.062 0.000 2.154 462 F HA -0.187 4.344 4.527 0.007 0.000 0.301 462 F C 2.370 178.282 175.800 0.186 0.000 1.087 462 F CA 2.282 60.245 58.000 -0.062 0.000 1.274 462 F CB -0.320 38.526 39.000 -0.256 0.000 1.009 462 F HN 0.333 nan 8.300 nan 0.000 0.485 463 H N -1.120 118.298 119.070 0.580 0.000 2.524 463 H HA 0.136 4.696 4.556 0.007 0.000 0.280 463 H C 0.204 175.801 175.328 0.450 0.000 1.018 463 H CA 0.103 56.449 56.048 0.496 0.000 1.165 463 H CB -0.142 29.879 29.762 0.432 0.000 1.411 463 H HN 0.232 nan 8.280 nan 0.000 0.569 464 Q N 2.094 122.200 119.800 0.510 0.000 2.372 464 Q HA 0.158 4.502 4.340 0.007 0.000 0.259 464 Q C -0.505 175.756 176.000 0.435 0.000 0.993 464 Q CA -0.424 55.626 55.803 0.411 0.000 0.854 464 Q CB 0.684 29.622 28.738 0.334 0.000 1.231 464 Q HN 0.250 nan 8.270 nan 0.000 0.462 465 E N 3.219 123.617 120.200 0.329 0.000 2.418 465 E HA 0.181 4.535 4.350 0.007 0.000 0.261 465 E C -0.453 176.293 176.600 0.244 0.000 1.070 465 E CA 0.481 57.020 56.400 0.232 0.000 0.931 465 E CB 0.717 30.530 29.700 0.189 0.000 0.954 465 E HN 0.593 nan 8.360 nan 0.000 0.439 466 M N 1.449 121.188 119.600 0.231 0.000 2.433 466 M HA 0.298 4.782 4.480 0.007 0.000 0.290 466 M C -1.302 175.116 176.300 0.197 0.000 1.173 466 M CA -0.907 54.541 55.300 0.247 0.000 0.905 466 M CB 2.391 35.203 32.600 0.353 0.000 1.692 466 M HN 0.165 nan 8.290 nan 0.000 0.462 467 V N 1.829 121.871 119.914 0.213 0.000 2.427 467 V HA 0.430 4.554 4.120 0.007 0.000 0.286 467 V C -0.438 175.815 176.094 0.265 0.000 1.034 467 V CA -0.679 61.779 62.300 0.263 0.000 0.893 467 V CB 1.511 33.540 31.823 0.344 0.000 0.982 467 V HN 0.886 nan 8.190 nan 0.000 0.452 468 N N 3.175 122.021 118.700 0.244 0.000 2.372 468 N HA 0.687 5.431 4.740 0.007 0.000 0.285 468 N C -1.727 173.908 175.510 0.209 0.000 1.008 468 N CA -0.454 52.656 53.050 0.100 0.000 0.880 468 N CB 1.775 40.305 38.487 0.072 0.000 1.239 468 N HN 0.757 nan 8.380 nan 0.000 0.484 469 Y N 0.876 121.192 120.300 0.026 0.000 2.641 469 Y HA 0.459 5.013 4.550 0.007 0.000 0.333 469 Y C -1.413 174.485 175.900 -0.002 0.000 1.174 469 Y CA -1.153 56.956 58.100 0.014 0.000 1.057 469 Y CB 0.583 39.057 38.460 0.024 0.000 1.322 469 Y HN 0.200 nan 8.280 nan 0.000 0.457 470 I N 3.975 124.620 120.570 0.126 0.000 2.301 470 I HA 0.327 4.501 4.170 0.007 0.000 0.292 470 I C -0.398 175.773 176.117 0.089 0.000 1.046 470 I CA -0.209 61.111 61.300 0.033 0.000 1.282 470 I CB 0.463 38.473 38.000 0.017 0.000 1.409 470 I HN 0.451 nan 8.210 nan 0.000 0.484 471 L N 4.717 125.959 121.223 0.032 0.000 2.376 471 L HA 0.602 4.947 4.340 0.007 0.000 0.267 471 L C 0.217 177.086 176.870 -0.003 0.000 1.035 471 L CA -0.563 54.305 54.840 0.048 0.000 0.800 471 L CB 1.751 43.832 42.059 0.037 0.000 1.290 471 L HN 0.495 nan 8.230 nan 0.000 0.462 472 S N -0.135 115.573 115.700 0.014 0.000 2.541 472 S HA 0.578 5.053 4.470 0.007 0.000 0.280 472 S C -2.650 171.971 174.600 0.035 0.000 1.112 472 S CA -1.280 56.920 58.200 -0.000 0.000 0.925 472 S CB 2.005 65.222 63.200 0.028 0.000 1.067 472 S HN 0.192 nan 8.310 nan 0.000 0.479 473 P HA 0.385 nan 4.420 nan 0.000 0.267 473 P C -1.286 175.907 177.300 -0.178 0.000 1.201 473 P CA 0.022 63.048 63.100 -0.122 0.000 0.775 473 P CB 0.492 32.079 31.700 -0.188 0.000 0.854 474 A N 1.397 124.078 122.820 -0.231 0.000 2.587 474 A HA 0.686 5.010 4.320 0.007 0.000 0.293 474 A C -1.366 176.006 177.584 -0.352 0.000 1.087 474 A CA -0.488 51.405 52.037 -0.240 0.000 0.692 474 A CB 0.717 19.643 19.000 -0.123 0.000 1.291 474 A HN 0.288 nan 8.150 nan 0.000 0.407 475 F N 0.862 120.748 119.950 -0.107 0.000 2.384 475 F HA 0.661 5.192 4.527 0.006 0.000 0.338 475 F C 1.121 176.845 175.800 -0.127 0.000 1.103 475 F CA 0.459 58.406 58.000 -0.087 0.000 1.157 475 F CB 1.270 40.202 39.000 -0.114 0.000 1.167 475 F HN 0.501 nan 8.300 nan 0.000 0.529 476 R N 1.459 122.016 120.500 0.095 0.000 2.725 476 R HA 0.393 4.737 4.340 0.007 0.000 0.277 476 R C -1.446 174.867 176.300 0.022 0.000 0.987 476 R CA -1.149 54.916 56.100 -0.058 0.000 0.901 476 R CB 1.863 32.150 30.300 -0.021 0.000 1.207 476 R HN 0.388 nan 8.270 nan 0.000 0.463 477 Y N 1.334 121.661 120.300 0.045 0.000 2.330 477 Y HA 0.110 4.664 4.550 0.007 0.000 0.341 477 Y C 0.787 176.691 175.900 0.006 0.000 1.278 477 Y CA -0.300 57.816 58.100 0.026 0.000 1.453 477 Y CB 0.514 38.975 38.460 0.003 0.000 1.342 477 Y HN 0.459 nan 8.280 nan 0.000 0.590 478 Q N -0.004 119.891 119.800 0.159 0.000 2.462 478 Q HA 0.641 4.985 4.340 0.007 0.000 0.285 478 Q C -3.075 172.892 176.000 -0.054 0.000 1.035 478 Q CA -2.437 53.390 55.803 0.041 0.000 0.799 478 Q CB 1.495 30.250 28.738 0.029 0.000 1.452 478 Q HN 0.273 nan 8.270 nan 0.000 0.404 479 P HA 0.102 nan 4.420 nan 0.000 0.268 479 P C -0.972 176.112 177.300 -0.360 0.000 1.205 479 P CA -0.029 62.944 63.100 -0.212 0.000 0.771 479 P CB 0.358 31.947 31.700 -0.185 0.000 0.858 480 D N 3.494 123.538 120.400 -0.593 0.000 2.424 480 D HA 0.017 4.661 4.640 0.007 0.000 0.244 480 D C -1.313 174.320 176.300 -1.113 0.000 1.134 480 D CA -0.990 52.359 54.000 -1.085 0.000 0.881 480 D CB 0.299 40.000 40.800 -1.832 0.000 1.191 480 D HN 0.223 nan 8.370 nan 0.000 0.445 481 P HA -0.039 nan 4.420 nan 0.000 0.222 481 P C 0.208 177.154 177.300 -0.590 0.000 1.147 481 P CA 0.664 63.361 63.100 -0.671 0.000 0.790 481 P CB 0.082 31.359 31.700 -0.706 0.000 0.780 482 W N 0.000 120.886 121.300 -0.690 0.000 2.388 482 W HA 0.000 4.664 4.660 0.006 0.000 0.303 482 W CA 0.000 57.079 57.345 -0.443 0.000 1.226 482 W CB 0.000 29.179 29.460 -0.469 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535