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 3e7s_1_B DATA FIRST_RESID 64 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLXXXXX DATA SEQUENCE XXXPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVXMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPWK 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 64 G HA2 0.000 nan 3.960 nan 0.000 0.244 64 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 64 G C 0.000 174.883 174.900 -0.028 0.000 0.946 64 G CA 0.000 45.106 45.100 0.011 0.000 0.502 65 P HA 0.453 nan 4.420 nan 0.000 0.264 65 P C -0.074 177.242 177.300 0.027 0.000 1.183 65 P CA 0.777 63.800 63.100 -0.128 0.000 0.763 65 P CB 0.778 32.138 31.700 -0.567 0.000 0.807 66 K N 3.006 123.373 120.400 -0.055 0.000 3.006 66 K HA 0.341 4.661 4.320 -0.001 0.000 0.262 66 K C -0.513 175.738 176.600 -0.582 0.000 1.289 66 K CA 0.046 56.174 56.287 -0.265 0.000 1.245 66 K CB -1.125 31.158 32.500 -0.362 0.000 1.614 66 K HN 0.470 nan 8.250 nan 0.000 0.322 67 F N -1.139 118.852 119.950 0.069 0.000 2.668 67 F HA 0.371 4.898 4.527 -0.001 0.000 0.309 67 F C -2.494 173.411 175.800 0.174 0.000 1.117 67 F CA -2.684 55.373 58.000 0.094 0.000 0.951 67 F CB 2.141 41.196 39.000 0.092 0.000 1.323 67 F HN -0.076 nan 8.300 nan 0.000 0.451 68 P HA 0.086 nan 4.420 nan 0.000 0.264 68 P C -0.956 176.410 177.300 0.109 0.000 1.193 68 P CA -0.065 63.140 63.100 0.175 0.000 0.763 68 P CB 0.479 32.256 31.700 0.130 0.000 0.810 69 R N 3.379 123.866 120.500 -0.022 0.000 2.207 69 R HA 0.421 4.760 4.340 -0.001 0.000 0.334 69 R C -0.719 175.462 176.300 -0.198 0.000 1.013 69 R CA -0.732 55.163 56.100 -0.341 0.000 0.858 69 R CB 0.378 30.487 30.300 -0.318 0.000 1.094 69 R HN 0.355 nan 8.270 nan 0.000 0.457 70 V N 1.670 121.453 119.914 -0.218 0.000 2.417 70 V HA 0.556 4.676 4.120 -0.001 0.000 0.291 70 V C -0.654 175.359 176.094 -0.134 0.000 1.024 70 V CA -0.857 61.389 62.300 -0.091 0.000 0.861 70 V CB 1.477 33.293 31.823 -0.012 0.000 0.985 70 V HN 0.792 nan 8.190 nan 0.000 0.436 71 K N 3.992 124.330 120.400 -0.104 0.000 2.207 71 K HA 0.446 4.765 4.320 -0.001 0.000 0.255 71 K C -0.688 175.818 176.600 -0.156 0.000 0.941 71 K CA -0.722 55.423 56.287 -0.236 0.000 0.825 71 K CB 1.586 33.795 32.500 -0.485 0.000 1.119 71 K HN 0.887 nan 8.250 nan 0.000 0.430 72 N N 4.039 122.635 118.700 -0.174 0.000 2.457 72 N HA 0.088 4.827 4.740 -0.001 0.000 0.250 72 N C -0.276 175.179 175.510 -0.091 0.000 0.982 72 N CA -0.359 52.691 53.050 -0.001 0.000 0.941 72 N CB 0.436 38.946 38.487 0.038 0.000 1.120 72 N HN 0.680 nan 8.380 nan 0.000 0.505 73 W N 2.128 123.513 121.300 0.142 0.000 2.699 73 W HA 0.080 4.740 4.660 -0.000 0.000 0.249 73 W C 2.018 178.574 176.519 0.061 0.000 1.280 73 W CA 0.010 57.425 57.345 0.116 0.000 1.345 73 W CB 0.347 29.911 29.460 0.173 0.000 1.128 73 W HN 0.667 nan 8.180 nan 0.000 0.642 74 E N 0.126 120.444 120.200 0.198 0.000 2.127 74 E HA -0.061 4.288 4.350 -0.001 0.000 0.191 74 E C 1.826 178.447 176.600 0.034 0.000 0.964 74 E CA 0.737 57.173 56.400 0.059 0.000 0.832 74 E CB -0.174 29.543 29.700 0.027 0.000 0.790 74 E HN 0.220 nan 8.360 nan 0.000 0.465 75 L N -0.865 120.377 121.223 0.032 0.000 2.477 75 L HA 0.304 4.643 4.340 -0.001 0.000 0.220 75 L C 1.725 178.577 176.870 -0.030 0.000 1.106 75 L CA 0.578 55.421 54.840 0.005 0.000 0.851 75 L CB 0.379 42.446 42.059 0.012 0.000 0.994 75 L HN 0.446 nan 8.230 nan 0.000 0.462 76 G N -0.006 108.752 108.800 -0.070 0.000 2.253 76 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.251 76 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.251 76 G C 0.545 175.353 174.900 -0.153 0.000 0.998 76 G CA 0.365 45.386 45.100 -0.132 0.000 0.621 76 G HN 0.471 nan 8.290 nan 0.000 0.524 77 S N 0.198 115.835 115.700 -0.105 0.000 2.573 77 S HA 0.656 5.126 4.470 -0.001 0.000 0.277 77 S C 0.260 174.780 174.600 -0.133 0.000 1.346 77 S CA 0.110 58.255 58.200 -0.093 0.000 1.034 77 S CB 1.389 64.557 63.200 -0.053 0.000 0.879 77 S HN 0.747 nan 8.310 nan 0.000 0.528 78 I N 1.278 121.778 120.570 -0.117 0.000 2.828 78 I HA 0.592 4.761 4.170 -0.001 0.000 0.302 78 I C -0.128 175.910 176.117 -0.132 0.000 1.101 78 I CA -0.654 60.548 61.300 -0.163 0.000 1.031 78 I CB 2.712 40.597 38.000 -0.191 0.000 1.231 78 I HN 1.012 nan 8.210 nan 0.000 0.427 79 T N -0.034 114.394 114.554 -0.210 0.000 2.816 79 T HA 0.613 4.962 4.350 -0.001 0.000 0.299 79 T C -1.485 173.035 174.700 -0.300 0.000 1.230 79 T CA -0.811 61.214 62.100 -0.125 0.000 1.007 79 T CB 1.638 70.477 68.868 -0.049 0.000 1.289 79 T HN 0.297 nan 8.240 nan 0.000 0.508 80 Y N 0.072 120.360 120.300 -0.021 0.000 2.409 80 Y HA 0.541 5.090 4.550 -0.001 0.000 0.343 80 Y C -0.068 175.803 175.900 -0.047 0.000 0.973 80 Y CA -0.980 57.117 58.100 -0.005 0.000 1.064 80 Y CB 1.786 40.247 38.460 0.001 0.000 1.207 80 Y HN 0.726 nan 8.280 nan 0.000 0.452 81 D N 1.681 122.155 120.400 0.124 0.000 2.359 81 D HA 0.116 4.755 4.640 -0.001 0.000 0.230 81 D C 0.574 176.852 176.300 -0.037 0.000 1.118 81 D CA 0.096 54.125 54.000 0.048 0.000 0.844 81 D CB 1.391 42.251 40.800 0.101 0.000 1.059 81 D HN 0.819 nan 8.370 nan 0.000 0.493 82 T N 1.067 115.498 114.554 -0.206 0.000 3.014 82 T HA -0.052 4.297 4.350 -0.001 0.000 0.250 82 T C 1.865 176.464 174.700 -0.167 0.000 1.060 82 T CA -0.232 61.648 62.100 -0.367 0.000 1.040 82 T CB 0.118 68.622 68.868 -0.607 0.000 0.971 82 T HN 0.253 nan 8.240 nan 0.000 0.497 83 L N 2.640 123.787 121.223 -0.128 0.000 2.083 83 L HA 0.008 4.348 4.340 -0.001 0.000 0.209 83 L C 2.665 179.373 176.870 -0.270 0.000 1.083 83 L CA 1.474 56.256 54.840 -0.095 0.000 0.752 83 L CB -1.075 41.014 42.059 0.049 0.000 0.899 83 L HN 0.673 nan 8.230 nan 0.000 0.433 84 C N -1.378 117.543 119.300 -0.633 0.000 2.409 84 C HA 0.025 4.485 4.460 -0.001 0.000 0.284 84 C C 2.787 177.535 174.990 -0.404 0.000 1.354 84 C CA 0.184 58.534 59.018 -1.114 0.000 1.787 84 C CB -2.251 24.803 27.740 -1.144 0.000 1.900 84 C HN 0.586 nan 8.230 nan 0.000 0.520 85 A N 0.568 123.294 122.820 -0.157 0.000 2.070 85 A HA -0.137 4.182 4.320 -0.001 0.000 0.220 85 A C 2.284 179.852 177.584 -0.027 0.000 1.159 85 A CA 1.506 53.529 52.037 -0.023 0.000 0.656 85 A CB -0.601 18.467 19.000 0.114 0.000 0.800 85 A HN 0.828 nan 8.150 nan 0.000 0.453 86 Q N -0.005 119.770 119.800 -0.043 0.000 2.451 86 Q HA 0.064 4.403 4.340 -0.001 0.000 0.206 86 Q C 0.680 176.691 176.000 0.017 0.000 0.947 86 Q CA 0.194 55.998 55.803 0.000 0.000 0.937 86 Q CB -0.043 28.704 28.738 0.015 0.000 1.025 86 Q HN 0.512 nan 8.270 nan 0.000 0.511 87 S N 0.937 116.634 115.700 -0.005 0.000 2.546 87 S HA -0.060 4.409 4.470 -0.001 0.000 0.290 87 S C 0.811 175.435 174.600 0.040 0.000 1.290 87 S CA 0.134 58.361 58.200 0.045 0.000 1.069 87 S CB 0.481 63.709 63.200 0.046 0.000 0.846 87 S HN 0.204 nan 8.310 nan 0.000 0.495 88 Q N 2.335 122.167 119.800 0.053 0.000 2.189 88 Q HA 0.275 4.614 4.340 -0.001 0.000 0.223 88 Q C -0.264 175.761 176.000 0.042 0.000 0.828 88 Q CA 0.120 55.949 55.803 0.045 0.000 0.967 88 Q CB 0.657 29.426 28.738 0.052 0.000 1.139 88 Q HN 0.654 nan 8.270 nan 0.000 0.497 89 Q N 0.947 120.775 119.800 0.047 0.000 2.340 89 Q HA 0.264 4.603 4.340 -0.001 0.000 0.268 89 Q C -1.167 174.859 176.000 0.044 0.000 1.031 89 Q CA -0.364 55.463 55.803 0.040 0.000 0.804 89 Q CB 2.040 30.799 28.738 0.036 0.000 1.286 89 Q HN 0.054 nan 8.270 nan 0.000 0.448 90 D N 0.926 121.347 120.400 0.035 0.000 2.341 90 D HA 0.397 5.036 4.640 -0.001 0.000 0.245 90 D C 0.279 176.602 176.300 0.037 0.000 1.106 90 D CA 0.270 54.291 54.000 0.036 0.000 0.905 90 D CB 1.229 42.045 40.800 0.027 0.000 1.202 90 D HN 0.645 nan 8.370 nan 0.000 0.426 91 G N 0.519 109.345 108.800 0.043 0.000 2.583 91 G HA2 0.409 4.369 3.960 -0.001 0.000 0.280 91 G HA3 0.409 4.369 3.960 -0.001 0.000 0.280 91 G C -1.610 173.311 174.900 0.035 0.000 1.376 91 G CA -0.589 44.535 45.100 0.041 0.000 1.043 91 G HN 0.403 nan 8.290 nan 0.000 0.538 92 P HA 0.219 nan 4.420 nan 0.000 0.264 92 P C 0.261 177.580 177.300 0.031 0.000 1.259 92 P CA -0.131 62.988 63.100 0.033 0.000 0.841 92 P CB 0.289 32.011 31.700 0.036 0.000 1.232 93 C N -0.069 119.252 119.300 0.034 0.000 2.656 93 C HA 0.569 5.029 4.460 -0.001 0.000 0.391 93 C C 0.888 175.893 174.990 0.026 0.000 1.300 93 C CA 0.541 59.578 59.018 0.031 0.000 2.302 93 C CB 0.315 28.077 27.740 0.035 0.000 2.655 93 C HN 0.218 nan 8.230 nan 0.000 0.656 94 T N 0.338 114.905 114.554 0.021 0.000 2.843 94 T HA 0.379 4.728 4.350 -0.001 0.000 0.302 94 T C -2.101 172.608 174.700 0.014 0.000 1.232 94 T CA -0.539 61.571 62.100 0.017 0.000 1.009 94 T CB 1.662 70.539 68.868 0.014 0.000 1.254 94 T HN 0.375 nan 8.240 nan 0.000 0.504 95 P HA 0.103 nan 4.420 nan 0.000 0.222 95 P C 1.136 178.440 177.300 0.007 0.000 1.147 95 P CA 0.768 63.873 63.100 0.009 0.000 0.790 95 P CB 0.236 31.939 31.700 0.006 0.000 0.780 96 R N -0.704 119.800 120.500 0.007 0.000 2.173 96 R HA 0.119 4.459 4.340 -0.001 0.000 0.208 96 R C 0.762 177.066 176.300 0.006 0.000 1.035 96 R CA 0.564 56.668 56.100 0.006 0.000 1.004 96 R CB 0.069 30.373 30.300 0.006 0.000 0.917 96 R HN 0.186 nan 8.270 nan 0.000 0.462 97 R N 0.042 120.547 120.500 0.009 0.000 2.579 97 R HA 0.141 4.481 4.340 -0.001 0.000 0.260 97 R C -1.656 174.652 176.300 0.013 0.000 1.103 97 R CA -0.678 55.427 56.100 0.009 0.000 0.942 97 R CB 0.287 30.593 30.300 0.009 0.000 1.251 97 R HN 0.020 nan 8.270 nan 0.000 0.450 98 C N 4.622 123.929 119.300 0.012 0.000 2.325 98 C HA 0.533 4.992 4.460 -0.001 0.000 0.347 98 C C 0.822 175.825 174.990 0.023 0.000 1.263 98 C CA -0.614 58.414 59.018 0.017 0.000 1.806 98 C CB -0.900 26.846 27.740 0.010 0.000 2.405 98 C HN 0.783 nan 8.230 nan 0.000 0.537 99 L N 5.890 127.132 121.223 0.031 0.000 3.110 99 L HA 0.280 4.619 4.340 -0.001 0.000 0.266 99 L C 2.075 178.976 176.870 0.053 0.000 1.257 99 L CA 0.226 55.090 54.840 0.039 0.000 1.038 99 L CB -0.119 41.962 42.059 0.037 0.000 1.395 99 L HN 1.033 nan 8.230 nan 0.000 0.566 100 G N 0.377 109.208 108.800 0.052 0.000 2.462 100 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.220 100 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.220 100 G C 1.716 176.677 174.900 0.103 0.000 1.121 100 G CA 1.267 46.408 45.100 0.067 0.000 0.758 100 G HN 0.513 nan 8.290 nan 0.000 0.559 101 S N -0.147 115.614 115.700 0.102 0.000 2.436 101 S HA 0.203 4.672 4.470 -0.001 0.000 0.228 101 S C 1.212 175.908 174.600 0.161 0.000 1.014 101 S CA -0.376 57.908 58.200 0.141 0.000 0.950 101 S CB -0.283 62.979 63.200 0.103 0.000 0.784 101 S HN 0.201 nan 8.310 nan 0.000 0.504 102 L N 2.240 123.535 121.223 0.120 0.000 2.525 102 L HA 0.060 4.400 4.340 -0.001 0.000 0.278 102 L C 1.618 178.587 176.870 0.166 0.000 1.218 102 L CA -0.417 54.495 54.840 0.119 0.000 0.878 102 L CB 0.427 42.535 42.059 0.082 0.000 1.127 102 L HN 0.086 nan 8.230 nan 0.000 0.492 103 V N 4.468 124.496 119.914 0.189 0.000 2.358 103 V HA -0.147 3.973 4.120 -0.001 0.000 0.246 103 V C 0.776 176.990 176.094 0.201 0.000 1.047 103 V CA 1.361 63.817 62.300 0.260 0.000 1.035 103 V CB -0.280 31.684 31.823 0.235 0.000 0.658 103 V HN 0.494 nan 8.190 nan 0.000 0.452 104 L N -0.866 120.430 121.223 0.122 0.000 2.365 104 L HA 0.383 4.723 4.340 -0.001 0.000 0.273 104 L C -1.541 175.385 176.870 0.093 0.000 1.000 104 L CA -1.636 53.276 54.840 0.121 0.000 0.819 104 L CB 1.215 43.286 42.059 0.021 0.000 1.284 104 L HN -0.067 nan 8.230 nan 0.000 0.418 105 P HA -0.176 nan 4.420 nan 0.000 0.215 105 P C 0.474 177.803 177.300 0.048 0.000 1.163 105 P CA 1.903 65.042 63.100 0.065 0.000 0.894 105 P CB 0.213 31.951 31.700 0.062 0.000 0.791 106 R N -4.339 116.188 120.500 0.044 0.000 2.470 106 R HA 0.486 4.826 4.340 -0.001 0.000 0.091 106 R C 0.178 176.488 176.300 0.016 0.000 0.557 106 R CA 0.854 56.969 56.100 0.025 0.000 0.730 106 R CB -1.966 28.348 30.300 0.023 0.000 1.020 106 R HN 0.566 nan 8.270 nan 0.000 0.568 107 K N -1.521 118.887 120.400 0.014 0.000 1.994 107 K HA 1.153 5.472 4.320 -0.001 0.000 0.249 107 K C -0.335 176.260 176.600 -0.009 0.000 0.688 107 K CA 0.684 56.972 56.287 0.002 0.000 0.534 107 K CB -0.753 31.751 32.500 0.007 0.000 1.597 107 K HN 2.004 nan 8.250 nan 0.000 0.464 118 P HA 0.423 nan 4.420 nan 0.000 0.271 118 P C 1.305 178.620 177.300 0.025 0.000 1.228 118 P CA 0.667 63.777 63.100 0.017 0.000 0.797 118 P CB 0.827 32.535 31.700 0.013 0.000 0.914 119 A N 0.247 123.080 122.820 0.022 0.000 2.035 119 A HA -0.015 4.304 4.320 -0.001 0.000 0.208 119 A C 2.000 179.594 177.584 0.017 0.000 1.206 119 A CA 0.738 52.789 52.037 0.022 0.000 0.773 119 A CB -0.744 18.267 19.000 0.019 0.000 0.878 119 A HN 0.708 nan 8.150 nan 0.000 0.469 120 E N -0.081 120.127 120.200 0.014 0.000 2.130 120 E HA -0.314 4.036 4.350 -0.001 0.000 0.196 120 E C 1.927 178.536 176.600 0.015 0.000 0.998 120 E CA 1.793 58.200 56.400 0.011 0.000 0.806 120 E CB -0.110 29.596 29.700 0.010 0.000 0.738 120 E HN 0.738 nan 8.360 nan 0.000 0.459 121 Q N -0.597 119.215 119.800 0.020 0.000 2.394 121 Q HA 0.015 4.354 4.340 -0.001 0.000 0.218 121 Q C 2.126 178.147 176.000 0.035 0.000 0.907 121 Q CA 0.142 55.960 55.803 0.025 0.000 0.919 121 Q CB 0.143 28.895 28.738 0.022 0.000 1.051 121 Q HN 0.327 nan 8.270 nan 0.000 0.538 122 L N 0.636 121.882 121.223 0.040 0.000 2.056 122 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 122 L C 1.827 178.733 176.870 0.060 0.000 1.078 122 L CA 1.614 56.492 54.840 0.064 0.000 0.749 122 L CB -0.485 41.621 42.059 0.078 0.000 0.901 122 L HN 0.296 nan 8.230 nan 0.000 0.433 123 L N -1.117 120.121 121.223 0.026 0.000 2.079 123 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 123 L C 2.692 179.569 176.870 0.012 0.000 1.081 123 L CA 1.574 56.409 54.840 -0.008 0.000 0.752 123 L CB -0.604 41.446 42.059 -0.016 0.000 0.896 123 L HN 0.438 nan 8.230 nan 0.000 0.433 124 S N -0.466 115.252 115.700 0.029 0.000 2.356 124 S HA -0.241 4.228 4.470 -0.001 0.000 0.223 124 S C 1.882 176.522 174.600 0.067 0.000 1.032 124 S CA 1.443 59.666 58.200 0.039 0.000 1.005 124 S CB -0.022 63.199 63.200 0.035 0.000 0.867 124 S HN 0.480 nan 8.310 nan 0.000 0.449 125 Q N 0.188 120.037 119.800 0.082 0.000 2.167 125 Q HA 0.068 4.408 4.340 -0.001 0.000 0.202 125 Q C 2.478 178.588 176.000 0.183 0.000 0.970 125 Q CA 1.217 57.092 55.803 0.120 0.000 0.855 125 Q CB -0.315 28.486 28.738 0.104 0.000 0.911 125 Q HN 0.685 nan 8.270 nan 0.000 0.438 126 A N 1.440 124.352 122.820 0.152 0.000 1.898 126 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 126 A C 2.009 179.700 177.584 0.179 0.000 1.181 126 A CA 1.119 53.258 52.037 0.171 0.000 0.620 126 A CB -0.282 18.633 19.000 -0.141 0.000 0.819 126 A HN 0.193 nan 8.150 nan 0.000 0.442 127 R N -0.481 120.076 120.500 0.095 0.000 2.075 127 R HA -0.128 4.212 4.340 -0.001 0.000 0.232 127 R C 1.989 178.373 176.300 0.140 0.000 1.126 127 R CA 1.499 57.658 56.100 0.097 0.000 0.963 127 R CB -0.522 29.807 30.300 0.049 0.000 0.858 127 R HN 0.666 nan 8.270 nan 0.000 0.435 128 D N 0.326 120.813 120.400 0.145 0.000 2.104 128 D HA -0.226 4.414 4.640 -0.001 0.000 0.194 128 D C 1.612 178.025 176.300 0.188 0.000 0.994 128 D CA 1.185 55.274 54.000 0.148 0.000 0.830 128 D CB -0.070 40.816 40.800 0.144 0.000 0.959 128 D HN 0.131 nan 8.370 nan 0.000 0.452 129 F N 0.790 120.829 119.950 0.147 0.000 2.102 129 F HA -0.125 4.402 4.527 -0.001 0.000 0.298 129 F C 1.962 177.895 175.800 0.221 0.000 1.105 129 F CA 1.091 59.211 58.000 0.199 0.000 1.239 129 F CB -0.286 38.839 39.000 0.208 0.000 0.991 129 F HN 0.014 nan 8.300 nan 0.000 0.474 130 I N 0.989 121.549 120.570 -0.016 0.000 2.226 130 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 130 I C 2.020 178.138 176.117 0.002 0.000 1.100 130 I CA 1.252 62.542 61.300 -0.016 0.000 1.374 130 I CB -1.579 36.543 38.000 0.204 0.000 1.057 130 I HN 0.264 nan 8.210 nan 0.000 0.413 131 N N 0.686 119.424 118.700 0.064 0.000 2.142 131 N HA -0.213 4.526 4.740 -0.001 0.000 0.186 131 N C 1.854 177.289 175.510 -0.125 0.000 1.023 131 N CA 0.998 54.067 53.050 0.031 0.000 0.852 131 N CB -0.373 38.198 38.487 0.139 0.000 0.998 131 N HN 0.482 nan 8.380 nan 0.000 0.424 132 Q N -0.288 119.447 119.800 -0.109 0.000 2.096 132 Q HA -0.199 4.140 4.340 -0.001 0.000 0.204 132 Q C 1.896 177.638 176.000 -0.429 0.000 0.982 132 Q CA 1.430 57.167 55.803 -0.111 0.000 0.850 132 Q CB -0.133 28.659 28.738 0.091 0.000 0.901 132 Q HN 0.487 nan 8.270 nan 0.000 0.422 133 Y N -0.854 118.957 120.300 -0.815 0.000 2.200 133 Y HA -0.252 4.297 4.550 -0.001 0.000 0.290 133 Y C 1.515 176.866 175.900 -0.916 0.000 1.137 133 Y CA 1.603 58.966 58.100 -1.228 0.000 1.163 133 Y CB -0.193 37.599 38.460 -1.113 0.000 0.988 133 Y HN 0.149 nan 8.280 nan 0.000 0.518 134 Y N -0.738 119.160 120.300 -0.670 0.000 2.352 134 Y HA -0.190 4.359 4.550 -0.001 0.000 0.292 134 Y C 2.986 178.561 175.900 -0.543 0.000 1.136 134 Y CA 1.590 59.295 58.100 -0.657 0.000 1.227 134 Y CB -0.510 37.462 38.460 -0.814 0.000 0.991 134 Y HN 0.239 nan 8.280 nan 0.000 0.545 135 S N -0.656 114.823 115.700 -0.368 0.000 2.402 135 S HA -0.164 4.306 4.470 -0.001 0.000 0.229 135 S C 2.231 176.664 174.600 -0.278 0.000 1.021 135 S CA 1.341 59.395 58.200 -0.243 0.000 0.974 135 S CB -0.557 62.549 63.200 -0.157 0.000 0.800 135 S HN 0.525 nan 8.310 nan 0.000 0.484 136 S N 1.736 117.168 115.700 -0.447 0.000 2.461 136 S HA 0.058 4.528 4.470 -0.001 0.000 0.228 136 S C 1.598 175.976 174.600 -0.371 0.000 1.005 136 S CA 0.628 58.608 58.200 -0.367 0.000 0.942 136 S CB -0.863 62.046 63.200 -0.485 0.000 0.776 136 S HN 0.823 nan 8.310 nan 0.000 0.514 137 I N -2.566 117.688 120.570 -0.526 0.000 3.891 137 I HA 0.399 4.568 4.170 -0.001 0.000 0.331 137 I C -0.327 175.640 176.117 -0.249 0.000 1.406 137 I CA -0.597 60.457 61.300 -0.411 0.000 1.139 137 I CB -0.165 37.487 38.000 -0.579 0.000 1.056 137 I HN -0.138 nan 8.210 nan 0.000 0.399 138 K N 1.849 122.124 120.400 -0.207 0.000 3.035 138 K HA -0.172 4.148 4.320 -0.001 0.000 0.262 138 K C -0.130 176.421 176.600 -0.080 0.000 1.024 138 K CA 0.537 56.752 56.287 -0.120 0.000 0.748 138 K CB -1.588 30.860 32.500 -0.086 0.000 1.247 138 K HN 0.585 nan 8.250 nan 0.000 0.482 139 R N -0.283 120.172 120.500 -0.074 0.000 2.698 139 R HA 0.097 4.437 4.340 -0.001 0.000 0.422 139 R C -0.056 176.288 176.300 0.073 0.000 1.073 139 R CA -0.292 55.820 56.100 0.019 0.000 1.054 139 R CB 0.879 31.221 30.300 0.070 0.000 1.373 139 R HN 0.151 nan 8.270 nan 0.000 0.593 140 S N -0.137 115.573 115.700 0.017 0.000 2.498 140 S HA 0.337 4.807 4.470 -0.001 0.000 0.281 140 S C 1.255 175.956 174.600 0.169 0.000 1.265 140 S CA 1.276 59.513 58.200 0.061 0.000 1.071 140 S CB 0.378 63.584 63.200 0.009 0.000 0.894 140 S HN 0.758 nan 8.310 nan 0.000 0.491 141 G N 3.315 112.368 108.800 0.423 0.000 2.157 141 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.248 141 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.248 141 G C 0.239 175.153 174.900 0.023 0.000 0.979 141 G CA 0.344 45.516 45.100 0.119 0.000 0.650 141 G HN 1.421 nan 8.290 nan 0.000 0.529 142 S N -1.049 114.682 115.700 0.051 0.000 2.652 142 S HA 0.526 4.996 4.470 -0.001 0.000 0.267 142 S C 1.417 175.988 174.600 -0.047 0.000 1.201 142 S CA 0.653 58.856 58.200 0.005 0.000 0.996 142 S CB 1.335 64.558 63.200 0.038 0.000 1.054 142 S HN 0.623 nan 8.310 nan 0.000 0.561 143 Q N 0.494 120.274 119.800 -0.035 0.000 2.020 143 Q HA -0.109 4.230 4.340 -0.001 0.000 0.202 143 Q C 2.246 178.204 176.000 -0.070 0.000 0.982 143 Q CA 1.734 57.508 55.803 -0.048 0.000 0.838 143 Q CB -1.000 27.726 28.738 -0.020 0.000 0.899 143 Q HN 0.892 nan 8.270 nan 0.000 0.423 144 A N 0.644 123.442 122.820 -0.037 0.000 1.884 144 A HA -0.323 3.997 4.320 -0.001 0.000 0.219 144 A C 1.977 179.380 177.584 -0.301 0.000 1.197 144 A CA 1.999 54.022 52.037 -0.023 0.000 0.637 144 A CB -1.449 17.663 19.000 0.187 0.000 0.827 144 A HN 0.778 nan 8.150 nan 0.000 0.450 145 H N -0.387 118.185 119.070 -0.830 0.000 2.265 145 H HA -0.171 4.384 4.556 -0.001 0.000 0.295 145 H C 2.130 177.132 175.328 -0.544 0.000 1.084 145 H CA 1.465 56.750 56.048 -1.272 0.000 1.261 145 H CB 0.071 29.326 29.762 -0.845 0.000 1.360 145 H HN 0.508 nan 8.280 nan 0.000 0.487 146 E N 0.013 120.021 120.200 -0.319 0.000 2.085 146 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 146 E C 2.431 178.936 176.600 -0.158 0.000 0.994 146 E CA 1.418 57.656 56.400 -0.270 0.000 0.801 146 E CB -0.731 28.851 29.700 -0.197 0.000 0.743 146 E HN 0.827 nan 8.360 nan 0.000 0.453 147 E N 1.933 122.064 120.200 -0.114 0.000 2.077 147 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 147 E C 2.030 178.614 176.600 -0.027 0.000 0.989 147 E CA 1.639 58.006 56.400 -0.055 0.000 0.800 147 E CB -0.656 29.028 29.700 -0.026 0.000 0.746 147 E HN 0.077 nan 8.360 nan 0.000 0.452 148 R N 0.237 120.725 120.500 -0.019 0.000 2.096 148 R HA 0.042 4.381 4.340 -0.001 0.000 0.235 148 R C 2.308 178.628 176.300 0.035 0.000 1.127 148 R CA 1.518 57.654 56.100 0.059 0.000 0.968 148 R CB -0.851 29.555 30.300 0.178 0.000 0.861 148 R HN 0.497 nan 8.270 nan 0.000 0.440 149 L N -0.081 121.135 121.223 -0.011 0.000 1.994 149 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 149 L C 2.999 179.842 176.870 -0.045 0.000 1.071 149 L CA 2.178 57.000 54.840 -0.030 0.000 0.745 149 L CB -1.205 40.803 42.059 -0.085 0.000 0.892 149 L HN 0.446 nan 8.230 nan 0.000 0.431 150 Q N 0.336 120.107 119.800 -0.050 0.000 2.112 150 Q HA -0.338 4.002 4.340 -0.001 0.000 0.206 150 Q C 2.026 178.013 176.000 -0.021 0.000 0.987 150 Q CA 2.254 58.034 55.803 -0.038 0.000 0.858 150 Q CB -1.059 27.657 28.738 -0.037 0.000 0.905 150 Q HN 0.657 nan 8.270 nan 0.000 0.420 151 E N -0.516 119.681 120.200 -0.006 0.000 2.077 151 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 151 E C 1.954 178.560 176.600 0.009 0.000 0.989 151 E CA 1.341 57.751 56.400 0.017 0.000 0.800 151 E CB -0.017 29.709 29.700 0.043 0.000 0.746 151 E HN 0.494 nan 8.360 nan 0.000 0.452 152 V N 1.082 120.975 119.914 -0.034 0.000 2.809 152 V HA -0.171 3.949 4.120 -0.001 0.000 0.256 152 V C 1.722 177.733 176.094 -0.139 0.000 1.080 152 V CA 1.692 63.907 62.300 -0.143 0.000 1.102 152 V CB -0.377 31.263 31.823 -0.304 0.000 0.705 152 V HN 0.252 nan 8.190 nan 0.000 0.475 153 E N 0.506 120.661 120.200 -0.077 0.000 2.170 153 E HA 0.007 4.357 4.350 -0.001 0.000 0.191 153 E C 2.353 178.943 176.600 -0.016 0.000 0.981 153 E CA 0.969 57.339 56.400 -0.052 0.000 0.830 153 E CB -0.240 29.435 29.700 -0.042 0.000 0.775 153 E HN 0.579 nan 8.360 nan 0.000 0.470 154 A N 1.656 124.474 122.820 -0.003 0.000 1.858 154 A HA -0.240 4.080 4.320 -0.001 0.000 0.216 154 A C 2.055 179.661 177.584 0.036 0.000 1.190 154 A CA 1.444 53.490 52.037 0.015 0.000 0.617 154 A CB -0.409 18.601 19.000 0.018 0.000 0.827 154 A HN 0.142 nan 8.150 nan 0.000 0.443 155 E N -0.454 119.781 120.200 0.057 0.000 2.051 155 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 155 E C 2.020 178.682 176.600 0.104 0.000 0.991 155 E CA 1.430 57.891 56.400 0.103 0.000 0.799 155 E CB -0.156 29.649 29.700 0.176 0.000 0.748 155 E HN 0.335 nan 8.360 nan 0.000 0.449 156 V N 1.014 120.978 119.914 0.084 0.000 2.343 156 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 156 V C 2.294 178.419 176.094 0.052 0.000 1.051 156 V CA 1.847 64.195 62.300 0.079 0.000 1.036 156 V CB -0.623 31.222 31.823 0.036 0.000 0.654 156 V HN 0.360 nan 8.190 nan 0.000 0.451 157 A N 0.421 123.261 122.820 0.034 0.000 1.930 157 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 157 A C 2.402 180.004 177.584 0.031 0.000 1.175 157 A CA 2.008 54.060 52.037 0.026 0.000 0.627 157 A CB -0.514 18.495 19.000 0.015 0.000 0.815 157 A HN 0.684 nan 8.150 nan 0.000 0.443 158 S N -1.696 114.027 115.700 0.038 0.000 2.548 158 S HA 0.035 4.504 4.470 -0.001 0.000 0.215 158 S C 1.240 175.868 174.600 0.047 0.000 0.976 158 S CA 1.236 59.459 58.200 0.038 0.000 0.908 158 S CB -0.226 62.996 63.200 0.037 0.000 0.781 158 S HN 0.782 nan 8.310 nan 0.000 0.519 159 T N -4.748 109.841 114.554 0.059 0.000 3.029 159 T HA 0.523 4.873 4.350 -0.001 0.000 0.256 159 T C 1.513 176.250 174.700 0.060 0.000 0.914 159 T CA 0.664 62.802 62.100 0.064 0.000 0.880 159 T CB 0.049 68.970 68.868 0.089 0.000 1.246 159 T HN 1.163 nan 8.240 nan 0.000 0.523 160 G N 0.417 109.255 108.800 0.063 0.000 2.176 160 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.253 160 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.253 160 G C 0.166 175.110 174.900 0.073 0.000 0.979 160 G CA 0.637 45.771 45.100 0.056 0.000 0.641 160 G HN 0.995 nan 8.290 nan 0.000 0.530 161 T N -1.433 113.184 114.554 0.103 0.000 2.618 161 T HA 0.747 5.097 4.350 -0.001 0.000 0.293 161 T C -1.397 173.454 174.700 0.252 0.000 1.093 161 T CA 0.496 62.668 62.100 0.119 0.000 1.061 161 T CB 1.418 70.279 68.868 -0.011 0.000 1.498 161 T HN 1.620 nan 8.240 nan 0.000 0.494 162 Y N -0.867 119.415 120.300 -0.030 0.000 2.774 162 Y HA 0.728 5.278 4.550 -0.001 0.000 0.346 162 Y C -1.888 173.977 175.900 -0.058 0.000 1.222 162 Y CA -1.223 56.909 58.100 0.053 0.000 1.088 162 Y CB 0.543 39.043 38.460 0.067 0.000 1.354 162 Y HN 0.733 nan 8.280 nan 0.000 0.455 163 H N 1.234 120.340 119.070 0.062 0.000 2.529 163 H HA 0.704 5.260 4.556 -0.001 0.000 0.348 163 H C -0.953 174.424 175.328 0.082 0.000 1.152 163 H CA -0.783 55.247 56.048 -0.030 0.000 1.202 163 H CB 1.865 31.646 29.762 0.031 0.000 1.562 163 H HN 0.725 nan 8.280 nan 0.000 0.515 164 L N 2.482 123.774 121.223 0.114 0.000 2.343 164 L HA 0.448 4.787 4.340 -0.001 0.000 0.275 164 L C 0.402 177.340 176.870 0.112 0.000 1.056 164 L CA -1.034 53.893 54.840 0.144 0.000 0.804 164 L CB 0.685 42.787 42.059 0.072 0.000 1.203 164 L HN 0.400 nan 8.230 nan 0.000 0.440 165 R N 1.225 121.770 120.500 0.076 0.000 2.615 165 R HA 0.060 4.399 4.340 -0.001 0.000 0.270 165 R C 0.939 177.232 176.300 -0.011 0.000 1.081 165 R CA -0.244 55.870 56.100 0.023 0.000 1.154 165 R CB 0.466 30.754 30.300 -0.020 0.000 1.063 165 R HN 0.684 nan 8.270 nan 0.000 0.519 166 E N 1.027 121.220 120.200 -0.011 0.000 2.033 166 E HA -0.254 4.095 4.350 -0.001 0.000 0.199 166 E C 1.498 178.084 176.600 -0.024 0.000 1.011 166 E CA 2.425 58.811 56.400 -0.024 0.000 0.815 166 E CB 0.054 29.744 29.700 -0.017 0.000 0.755 166 E HN 0.663 nan 8.360 nan 0.000 0.451 167 S N 0.125 115.814 115.700 -0.019 0.000 2.402 167 S HA -0.240 4.229 4.470 -0.001 0.000 0.233 167 S C 1.761 176.362 174.600 0.003 0.000 1.030 167 S CA 1.617 59.832 58.200 0.024 0.000 1.003 167 S CB -0.420 62.820 63.200 0.066 0.000 0.813 167 S HN 0.353 nan 8.310 nan 0.000 0.477 168 E N 0.696 120.782 120.200 -0.190 0.000 2.107 168 E HA -0.016 4.333 4.350 -0.001 0.000 0.191 168 E C 2.056 178.770 176.600 0.190 0.000 0.982 168 E CA 1.044 57.339 56.400 -0.176 0.000 0.809 168 E CB -0.308 29.291 29.700 -0.168 0.000 0.756 168 E HN 0.494 nan 8.360 nan 0.000 0.459 169 L N 0.778 122.026 121.223 0.040 0.000 2.046 169 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 169 L C 2.179 179.035 176.870 -0.024 0.000 1.077 169 L CA 1.372 56.178 54.840 -0.057 0.000 0.747 169 L CB -0.272 41.697 42.059 -0.150 0.000 0.896 169 L HN -0.067 nan 8.230 nan 0.000 0.432 170 V N -0.418 119.514 119.914 0.029 0.000 2.407 170 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 170 V C 2.297 178.478 176.094 0.146 0.000 1.055 170 V CA 2.047 64.374 62.300 0.046 0.000 1.049 170 V CB -0.910 30.940 31.823 0.045 0.000 0.662 170 V HN 0.587 nan 8.190 nan 0.000 0.455 171 F N 1.982 122.021 119.950 0.148 0.000 2.113 171 F HA 0.032 4.558 4.527 -0.001 0.000 0.297 171 F C 2.207 178.154 175.800 0.245 0.000 1.103 171 F CA 1.660 59.804 58.000 0.240 0.000 1.248 171 F CB -0.927 38.308 39.000 0.391 0.000 0.999 171 F HN 0.127 nan 8.300 nan 0.000 0.475 172 G N -0.078 108.804 108.800 0.138 0.000 2.440 172 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.218 172 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.218 172 G C 1.819 176.584 174.900 -0.226 0.000 1.154 172 G CA 0.924 45.987 45.100 -0.061 0.000 0.767 172 G HN 0.644 nan 8.290 nan 0.000 0.552 173 A N 0.953 123.669 122.820 -0.173 0.000 1.858 173 A HA -0.028 4.291 4.320 -0.001 0.000 0.216 173 A C 2.306 179.866 177.584 -0.039 0.000 1.190 173 A CA 2.014 53.955 52.037 -0.160 0.000 0.617 173 A CB -0.416 18.530 19.000 -0.090 0.000 0.827 173 A HN 0.367 nan 8.150 nan 0.000 0.443 174 K N -0.782 119.637 120.400 0.032 0.000 2.147 174 K HA -0.135 4.185 4.320 -0.001 0.000 0.205 174 K C 2.284 178.933 176.600 0.081 0.000 1.049 174 K CA 1.281 57.684 56.287 0.193 0.000 0.936 174 K CB -0.115 32.532 32.500 0.245 0.000 0.722 174 K HN 0.402 nan 8.250 nan 0.000 0.446 175 Q N 0.121 119.784 119.800 -0.229 0.000 2.119 175 Q HA -0.073 4.267 4.340 -0.001 0.000 0.201 175 Q C 2.176 178.039 176.000 -0.227 0.000 0.972 175 Q CA 1.379 56.968 55.803 -0.356 0.000 0.847 175 Q CB -0.206 28.205 28.738 -0.545 0.000 0.903 175 Q HN 0.320 nan 8.270 nan 0.000 0.433 176 A N 0.470 123.151 122.820 -0.231 0.000 1.865 176 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 176 A C 1.830 179.436 177.584 0.038 0.000 1.191 176 A CA 1.539 53.390 52.037 -0.309 0.000 0.623 176 A CB -1.122 17.334 19.000 -0.908 0.000 0.826 176 A HN 0.551 nan 8.150 nan 0.000 0.444 177 W N 0.978 122.289 121.300 0.018 0.000 2.355 177 W HA -0.159 4.501 4.660 -0.001 0.000 0.309 177 W C 2.347 178.850 176.519 -0.027 0.000 1.206 177 W CA 1.681 59.082 57.345 0.093 0.000 1.284 177 W CB -0.790 28.718 29.460 0.081 0.000 1.145 177 W HN 0.379 nan 8.180 nan 0.000 0.502 178 R N 0.276 120.749 120.500 -0.046 0.000 2.117 178 R HA -0.217 4.122 4.340 -0.001 0.000 0.243 178 R C 1.618 177.778 176.300 -0.234 0.000 1.143 178 R CA 1.972 57.839 56.100 -0.388 0.000 0.968 178 R CB -0.577 29.256 30.300 -0.779 0.000 0.863 178 R HN 0.128 nan 8.270 nan 0.000 0.444 179 N N 0.172 118.786 118.700 -0.143 0.000 2.467 179 N HA 0.019 4.759 4.740 -0.001 0.000 0.184 179 N C -0.306 175.166 175.510 -0.064 0.000 1.106 179 N CA 0.676 53.660 53.050 -0.110 0.000 0.892 179 N CB 0.318 38.742 38.487 -0.104 0.000 0.969 179 N HN 0.174 nan 8.380 nan 0.000 0.454 180 A N 2.092 124.921 122.820 0.015 0.000 2.489 180 A HA 0.203 4.523 4.320 -0.001 0.000 0.289 180 A C -1.236 176.329 177.584 -0.033 0.000 1.216 180 A CA -0.885 51.158 52.037 0.010 0.000 0.883 180 A CB 0.217 19.270 19.000 0.089 0.000 1.110 180 A HN 0.028 nan 8.150 nan 0.000 0.523 181 P HA -0.134 nan 4.420 nan 0.000 0.218 181 P C 1.199 178.430 177.300 -0.114 0.000 1.148 181 P CA 1.173 64.200 63.100 -0.122 0.000 0.822 181 P CB 0.152 31.739 31.700 -0.188 0.000 0.784 182 R N -2.083 118.311 120.500 -0.178 0.000 2.297 182 R HA 0.113 4.452 4.340 -0.001 0.000 0.197 182 R C 0.462 176.769 176.300 0.012 0.000 0.943 182 R CA -0.048 55.965 56.100 -0.146 0.000 1.038 182 R CB -0.535 29.466 30.300 -0.497 0.000 0.957 182 R HN 0.196 nan 8.270 nan 0.000 0.484 183 C N 0.712 120.012 119.300 -0.001 0.000 2.394 183 C HA 0.197 4.657 4.460 -0.001 0.000 0.362 183 C C 1.916 176.893 174.990 -0.022 0.000 1.268 183 C CA -0.636 58.407 59.018 0.042 0.000 1.828 183 C CB 0.576 28.394 27.740 0.131 0.000 2.442 183 C HN 0.277 nan 8.230 nan 0.000 0.549 184 V N 6.083 125.943 119.914 -0.091 0.000 3.406 184 V HA 0.221 4.340 4.120 -0.001 0.000 0.263 184 V C 1.746 177.889 176.094 0.082 0.000 1.172 184 V CA 1.996 64.156 62.300 -0.233 0.000 1.140 184 V CB -0.127 31.553 31.823 -0.238 0.000 0.784 184 V HN 1.075 nan 8.190 nan 0.000 0.467 185 G N -0.555 108.319 108.800 0.125 0.000 3.371 185 G HA2 0.056 4.016 3.960 -0.001 0.000 0.248 185 G HA3 0.056 4.016 3.960 -0.001 0.000 0.248 185 G C 1.211 176.204 174.900 0.155 0.000 1.161 185 G CA -0.335 44.861 45.100 0.159 0.000 0.796 185 G HN 0.441 nan 8.290 nan 0.000 0.539 186 R N -0.315 120.200 120.500 0.026 0.000 2.341 186 R HA 0.005 4.344 4.340 -0.001 0.000 0.213 186 R C 2.013 177.914 176.300 -0.665 0.000 1.082 186 R CA 0.192 56.030 56.100 -0.437 0.000 1.017 186 R CB -0.160 29.853 30.300 -0.478 0.000 0.860 186 R HN 0.420 nan 8.270 nan 0.000 0.473 187 I N 1.202 121.546 120.570 -0.377 0.000 2.567 187 I HA -0.244 3.925 4.170 -0.001 0.000 0.257 187 I C 1.433 177.468 176.117 -0.137 0.000 1.184 187 I CA 1.582 62.801 61.300 -0.136 0.000 1.451 187 I CB 0.087 38.118 38.000 0.053 0.000 1.089 187 I HN 0.099 nan 8.210 nan 0.000 0.441 188 Q N -0.028 119.639 119.800 -0.222 0.000 2.360 188 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 188 Q C 1.716 177.255 176.000 -0.769 0.000 0.915 188 Q CA 0.429 56.083 55.803 -0.248 0.000 0.943 188 Q CB -0.483 28.314 28.738 0.099 0.000 1.064 188 Q HN 0.834 nan 8.270 nan 0.000 0.511 189 W N 0.587 121.115 121.300 -1.286 0.000 2.303 189 W HA -0.183 4.476 4.660 -0.001 0.000 0.287 189 W C 1.153 177.309 176.519 -0.605 0.000 1.213 189 W CA 1.269 57.691 57.345 -1.537 0.000 1.203 189 W CB -1.300 27.527 29.460 -1.056 0.000 1.136 189 W HN 0.072 nan 8.180 nan 0.000 0.547 190 G N 0.970 108.992 108.800 -1.298 0.000 2.464 190 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.217 190 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.217 190 G C 1.157 175.807 174.900 -0.417 0.000 1.138 190 G CA 1.055 45.512 45.100 -1.071 0.000 0.793 190 G HN 0.372 nan 8.290 nan 0.000 0.539 191 K N 0.421 120.679 120.400 -0.237 0.000 2.180 191 K HA 0.678 4.998 4.320 -0.001 0.000 0.250 191 K C -0.922 175.783 176.600 0.176 0.000 1.135 191 K CA -0.617 55.663 56.287 -0.012 0.000 1.037 191 K CB 0.277 32.809 32.500 0.054 0.000 1.624 191 K HN 0.248 nan 8.250 nan 0.000 0.382 192 L N 0.684 121.994 121.223 0.144 0.000 2.410 192 L HA 0.488 4.827 4.340 -0.001 0.000 0.270 192 L C -0.706 176.179 176.870 0.025 0.000 0.983 192 L CA -0.717 54.245 54.840 0.203 0.000 0.822 192 L CB 2.625 44.886 42.059 0.336 0.000 1.285 192 L HN 0.532 nan 8.230 nan 0.000 0.409 193 Q N 3.271 123.045 119.800 -0.043 0.000 2.390 193 Q HA 0.504 4.844 4.340 -0.001 0.000 0.249 193 Q C -1.497 174.207 176.000 -0.494 0.000 0.996 193 Q CA -0.190 55.428 55.803 -0.310 0.000 0.899 193 Q CB 1.051 29.579 28.738 -0.350 0.000 1.216 193 Q HN 0.528 nan 8.270 nan 0.000 0.465 194 V N 5.929 125.568 119.914 -0.457 0.000 2.432 194 V HA 0.396 4.515 4.120 -0.001 0.000 0.275 194 V C -0.399 175.361 176.094 -0.556 0.000 1.043 194 V CA -0.325 61.748 62.300 -0.379 0.000 0.925 194 V CB 0.378 32.077 31.823 -0.207 0.000 0.985 194 V HN 0.646 nan 8.190 nan 0.000 0.466 195 F N 2.696 122.510 119.950 -0.227 0.000 2.388 195 F HA 0.360 4.887 4.527 -0.001 0.000 0.358 195 F C 0.500 176.127 175.800 -0.288 0.000 1.122 195 F CA -0.551 57.302 58.000 -0.244 0.000 1.056 195 F CB 1.298 40.144 39.000 -0.257 0.000 1.155 195 F HN 0.413 nan 8.300 nan 0.000 0.461 196 D N 3.111 123.465 120.400 -0.075 0.000 2.317 196 D HA 0.409 5.048 4.640 -0.001 0.000 0.252 196 D C -0.093 176.029 176.300 -0.296 0.000 1.174 196 D CA 0.281 54.172 54.000 -0.182 0.000 0.866 196 D CB 1.607 42.341 40.800 -0.110 0.000 1.127 196 D HN 0.672 nan 8.370 nan 0.000 0.467 197 A N 4.483 126.966 122.820 -0.563 0.000 2.568 197 A HA 0.134 4.454 4.320 -0.001 0.000 0.287 197 A C 1.322 178.593 177.584 -0.522 0.000 0.967 197 A CA -0.382 51.072 52.037 -0.971 0.000 1.004 197 A CB 0.170 17.954 19.000 -2.026 0.000 1.233 197 A HN 0.547 nan 8.150 nan 0.000 0.513 198 R N 0.797 121.131 120.500 -0.276 0.000 2.339 198 R HA -0.062 4.278 4.340 -0.001 0.000 0.199 198 R C 0.608 176.871 176.300 -0.063 0.000 1.018 198 R CA 1.173 57.197 56.100 -0.127 0.000 1.036 198 R CB 0.054 30.338 30.300 -0.026 0.000 0.899 198 R HN 0.671 nan 8.270 nan 0.000 0.473 199 D N -0.814 119.559 120.400 -0.046 0.000 2.379 199 D HA -0.053 4.587 4.640 -0.001 0.000 0.208 199 D C 0.420 176.785 176.300 0.109 0.000 1.065 199 D CA -0.303 53.728 54.000 0.051 0.000 0.848 199 D CB -0.501 40.353 40.800 0.090 0.000 0.949 199 D HN -0.028 nan 8.370 nan 0.000 0.509 200 C N 2.041 121.391 119.300 0.084 0.000 2.634 200 C HA 0.314 4.773 4.460 -0.001 0.000 0.418 200 C C 1.705 176.829 174.990 0.223 0.000 1.373 200 C CA 0.668 59.821 59.018 0.226 0.000 1.756 200 C CB -0.483 27.421 27.740 0.272 0.000 2.589 200 C HN 0.460 nan 8.230 nan 0.000 0.602 201 S N 2.390 118.277 115.700 0.313 0.000 2.780 201 S HA 0.328 4.797 4.470 -0.001 0.000 0.248 201 S C -0.047 174.740 174.600 0.311 0.000 1.036 201 S CA 0.239 58.653 58.200 0.356 0.000 1.061 201 S CB -0.200 63.136 63.200 0.227 0.000 1.037 201 S HN 1.275 nan 8.310 nan 0.000 0.584 202 S N -0.506 115.377 115.700 0.306 0.000 2.588 202 S HA 0.793 5.262 4.470 -0.001 0.000 0.269 202 S C 0.783 175.484 174.600 0.168 0.000 1.157 202 S CA -0.341 57.975 58.200 0.193 0.000 0.824 202 S CB 0.861 64.149 63.200 0.146 0.000 1.126 202 S HN 0.523 nan 8.310 nan 0.000 0.464 203 A N 0.726 123.614 122.820 0.114 0.000 1.933 203 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 203 A C 2.077 179.634 177.584 -0.044 0.000 1.175 203 A CA 2.262 54.337 52.037 0.063 0.000 0.628 203 A CB -1.158 17.953 19.000 0.184 0.000 0.814 203 A HN 0.925 nan 8.150 nan 0.000 0.444 204 Q N 0.007 119.892 119.800 0.142 0.000 2.224 204 Q HA -0.115 4.225 4.340 -0.001 0.000 0.203 204 Q C 1.777 177.828 176.000 0.085 0.000 0.970 204 Q CA 2.011 57.904 55.803 0.151 0.000 0.865 204 Q CB -0.291 28.597 28.738 0.251 0.000 0.922 204 Q HN 0.738 nan 8.270 nan 0.000 0.445 205 E N -0.780 119.488 120.200 0.112 0.000 2.112 205 E HA -0.072 4.277 4.350 -0.001 0.000 0.190 205 E C 1.881 178.623 176.600 0.236 0.000 0.979 205 E CA 0.854 57.346 56.400 0.153 0.000 0.814 205 E CB -0.026 29.815 29.700 0.235 0.000 0.762 205 E HN 0.470 nan 8.360 nan 0.000 0.460 206 M N -0.057 119.636 119.600 0.154 0.000 2.108 206 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 206 M C 2.154 178.488 176.300 0.057 0.000 1.066 206 M CA 1.323 56.656 55.300 0.056 0.000 1.107 206 M CB -0.311 32.122 32.600 -0.278 0.000 1.356 206 M HN 0.129 nan 8.290 nan 0.000 0.406 207 F N 0.417 120.170 119.950 -0.328 0.000 2.234 207 F HA -0.173 4.354 4.527 -0.001 0.000 0.299 207 F C 2.553 178.261 175.800 -0.153 0.000 1.087 207 F CA 1.764 59.524 58.000 -0.401 0.000 1.340 207 F CB -0.533 37.913 39.000 -0.925 0.000 1.031 207 F HN 0.034 nan 8.300 nan 0.000 0.500 208 T N -1.160 113.266 114.554 -0.214 0.000 2.851 208 T HA -0.172 4.177 4.350 -0.001 0.000 0.262 208 T C 1.886 176.427 174.700 -0.264 0.000 1.043 208 T CA 1.583 63.499 62.100 -0.306 0.000 1.140 208 T CB -0.557 68.188 68.868 -0.205 0.000 0.872 208 T HN 0.387 nan 8.240 nan 0.000 0.446 209 Y N 1.056 121.313 120.300 -0.070 0.000 2.145 209 Y HA -0.026 4.524 4.550 -0.001 0.000 0.286 209 Y C 2.336 178.190 175.900 -0.076 0.000 1.145 209 Y CA 1.414 59.482 58.100 -0.053 0.000 1.148 209 Y CB -0.205 38.314 38.460 0.097 0.000 0.981 209 Y HN 0.204 nan 8.280 nan 0.000 0.507 210 I N -1.193 119.468 120.570 0.151 0.000 2.194 210 I HA -0.407 3.762 4.170 -0.001 0.000 0.246 210 I C 2.251 178.301 176.117 -0.112 0.000 1.093 210 I CA 1.241 62.560 61.300 0.031 0.000 1.355 210 I CB -0.556 37.442 38.000 -0.003 0.000 1.046 210 I HN 0.356 nan 8.210 nan 0.000 0.413 211 C N 0.535 119.659 119.300 -0.293 0.000 2.440 211 C HA -0.094 4.366 4.460 -0.001 0.000 0.278 211 C C 2.564 177.459 174.990 -0.159 0.000 1.295 211 C CA 0.527 59.376 59.018 -0.281 0.000 1.738 211 C CB -1.419 26.047 27.740 -0.457 0.000 1.987 211 C HN 0.545 nan 8.230 nan 0.000 0.492 212 N N 0.230 118.823 118.700 -0.178 0.000 2.223 212 N HA -0.138 4.601 4.740 -0.001 0.000 0.185 212 N C 1.649 177.052 175.510 -0.177 0.000 1.016 212 N CA 1.114 54.051 53.050 -0.189 0.000 0.863 212 N CB -0.703 37.618 38.487 -0.278 0.000 0.983 212 N HN 0.646 nan 8.380 nan 0.000 0.429 213 H N 1.450 120.366 119.070 -0.257 0.000 2.293 213 H HA 0.053 4.608 4.556 -0.001 0.000 0.300 213 H C 2.111 177.436 175.328 -0.005 0.000 1.082 213 H CA 1.160 57.094 56.048 -0.188 0.000 1.308 213 H CB -0.282 29.424 29.762 -0.094 0.000 1.375 213 H HN 0.143 nan 8.280 nan 0.000 0.495 214 I N 0.582 121.285 120.570 0.221 0.000 2.226 214 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 214 I C 2.748 178.930 176.117 0.108 0.000 1.100 214 I CA 1.246 62.632 61.300 0.142 0.000 1.374 214 I CB -0.229 37.776 38.000 0.009 0.000 1.057 214 I HN 0.167 nan 8.210 nan 0.000 0.413 215 K N -0.061 120.374 120.400 0.058 0.000 2.057 215 K HA -0.232 4.087 4.320 -0.001 0.000 0.207 215 K C 2.242 178.887 176.600 0.075 0.000 1.049 215 K CA 1.729 58.041 56.287 0.042 0.000 0.931 215 K CB -0.308 32.196 32.500 0.008 0.000 0.714 215 K HN 0.247 nan 8.250 nan 0.000 0.440 216 Y N 1.050 121.349 120.300 -0.002 0.000 2.133 216 Y HA -0.212 4.337 4.550 -0.001 0.000 0.287 216 Y C 2.129 178.091 175.900 0.104 0.000 1.134 216 Y CA 1.549 59.679 58.100 0.050 0.000 1.133 216 Y CB -0.356 38.139 38.460 0.059 0.000 0.987 216 Y HN 0.038 nan 8.280 nan 0.000 0.502 217 A N -0.723 122.217 122.820 0.200 0.000 1.933 217 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 217 A C 2.191 179.823 177.584 0.079 0.000 1.175 217 A CA 2.238 54.372 52.037 0.163 0.000 0.628 217 A CB -1.285 17.918 19.000 0.338 0.000 0.814 217 A HN 0.526 nan 8.150 nan 0.000 0.444 218 T N -0.274 114.327 114.554 0.079 0.000 2.737 218 T HA -0.105 4.244 4.350 -0.001 0.000 0.265 218 T C 1.129 175.833 174.700 0.006 0.000 1.038 218 T CA 1.250 63.388 62.100 0.064 0.000 1.144 218 T CB -0.433 68.470 68.868 0.059 0.000 0.866 218 T HN 0.681 nan 8.240 nan 0.000 0.434 219 N N 1.075 119.750 118.700 -0.042 0.000 2.708 219 N HA -0.272 4.467 4.740 -0.001 0.000 0.251 219 N C -0.172 175.313 175.510 -0.042 0.000 1.017 219 N CA 0.709 53.713 53.050 -0.076 0.000 0.742 219 N CB -1.308 37.086 38.487 -0.155 0.000 0.943 219 N HN 0.507 nan 8.380 nan 0.000 0.539 220 R N -2.781 117.707 120.500 -0.020 0.000 3.758 220 R HA -0.209 4.130 4.340 -0.001 0.000 0.299 220 R C 1.345 177.632 176.300 -0.021 0.000 1.182 220 R CA 1.235 57.324 56.100 -0.018 0.000 0.809 220 R CB -1.897 28.389 30.300 -0.023 0.000 1.249 220 R HN 0.938 nan 8.270 nan 0.000 0.497 221 G N -0.605 108.189 108.800 -0.009 0.000 2.481 221 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.200 221 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.200 221 G C -0.128 174.764 174.900 -0.012 0.000 1.012 221 G CA -0.082 45.013 45.100 -0.009 0.000 0.676 221 G HN 0.316 nan 8.290 nan 0.000 0.488 222 N N 1.979 120.659 118.700 -0.035 0.000 2.868 222 N HA 0.518 5.258 4.740 -0.001 0.000 0.252 222 N C 0.682 176.169 175.510 -0.039 0.000 1.130 222 N CA -0.323 52.689 53.050 -0.062 0.000 1.026 222 N CB -0.259 38.185 38.487 -0.072 0.000 1.335 222 N HN 0.442 nan 8.380 nan 0.000 0.516 223 L N 1.909 123.142 121.223 0.016 0.000 2.483 223 L HA 0.207 4.546 4.340 -0.001 0.000 0.276 223 L C 0.540 177.528 176.870 0.195 0.000 1.213 223 L CA 0.098 55.018 54.840 0.133 0.000 0.843 223 L CB 0.328 42.565 42.059 0.297 0.000 1.107 223 L HN 0.338 nan 8.230 nan 0.000 0.487 224 R N 0.862 121.480 120.500 0.197 0.000 2.575 224 R HA 0.337 4.677 4.340 -0.001 0.000 0.293 224 R C -0.872 175.596 176.300 0.281 0.000 0.983 224 R CA -0.504 55.736 56.100 0.234 0.000 0.887 224 R CB 1.966 32.273 30.300 0.010 0.000 1.184 224 R HN 0.528 nan 8.270 nan 0.000 0.445 225 S N 1.561 117.430 115.700 0.282 0.000 2.533 225 S HA 0.531 5.001 4.470 -0.001 0.000 0.282 225 S C -0.303 174.382 174.600 0.140 0.000 1.304 225 S CA -0.204 58.056 58.200 0.101 0.000 1.063 225 S CB 1.028 64.226 63.200 -0.004 0.000 0.881 225 S HN 0.686 nan 8.310 nan 0.000 0.493 226 A N 2.943 125.826 122.820 0.106 0.000 2.604 226 A HA 0.816 5.135 4.320 -0.001 0.000 0.295 226 A C -1.225 176.442 177.584 0.139 0.000 1.067 226 A CA -0.669 51.410 52.037 0.069 0.000 0.683 226 A CB 1.215 20.271 19.000 0.093 0.000 1.281 226 A HN 0.805 nan 8.150 nan 0.000 0.407 227 I N 0.521 121.156 120.570 0.109 0.000 2.686 227 I HA 0.641 4.810 4.170 -0.001 0.000 0.295 227 I C -1.137 175.089 176.117 0.180 0.000 1.114 227 I CA -0.177 61.279 61.300 0.260 0.000 1.038 227 I CB 2.420 40.550 38.000 0.217 0.000 1.238 227 I HN 0.591 nan 8.210 nan 0.000 0.420 228 T N 6.388 121.080 114.554 0.230 0.000 2.791 228 T HA 0.421 4.771 4.350 -0.001 0.000 0.288 228 T C -0.665 173.873 174.700 -0.270 0.000 0.999 228 T CA -0.349 61.732 62.100 -0.032 0.000 0.952 228 T CB 1.316 70.168 68.868 -0.027 0.000 0.938 228 T HN 0.274 nan 8.240 nan 0.000 0.444 229 V N 5.193 124.874 119.914 -0.388 0.000 2.364 229 V HA 0.472 4.592 4.120 -0.001 0.000 0.272 229 V C -0.208 175.583 176.094 -0.506 0.000 1.036 229 V CA -0.771 61.300 62.300 -0.382 0.000 0.880 229 V CB -0.228 31.313 31.823 -0.470 0.000 0.991 229 V HN 0.730 nan 8.190 nan 0.000 0.460 230 F N 4.881 124.740 119.950 -0.151 0.000 2.364 230 F HA 0.507 5.033 4.527 -0.001 0.000 0.316 230 F C -1.795 173.910 175.800 -0.157 0.000 1.133 230 F CA -2.358 55.484 58.000 -0.263 0.000 1.051 230 F CB 0.438 39.275 39.000 -0.271 0.000 1.342 230 F HN 0.295 nan 8.300 nan 0.000 0.507 231 P HA 0.002 nan 4.420 nan 0.000 0.267 231 P C -1.086 176.215 177.300 0.002 0.000 1.200 231 P CA -0.148 62.860 63.100 -0.153 0.000 0.772 231 P CB 0.298 31.728 31.700 -0.450 0.000 0.855 232 Q N 2.774 122.499 119.800 -0.124 0.000 2.414 232 Q HA 0.311 4.650 4.340 -0.001 0.000 0.206 232 Q C -0.250 175.643 176.000 -0.179 0.000 1.058 232 Q CA -0.552 54.983 55.803 -0.448 0.000 1.025 232 Q CB 0.544 28.756 28.738 -0.876 0.000 1.196 232 Q HN 0.322 nan 8.270 nan 0.000 0.586 233 R N -0.641 119.726 120.500 -0.221 0.000 2.528 233 R HA 0.652 4.991 4.340 -0.001 0.000 0.271 233 R C -0.924 175.308 176.300 -0.113 0.000 1.056 233 R CA -0.178 55.865 56.100 -0.096 0.000 1.117 233 R CB 1.194 31.437 30.300 -0.095 0.000 1.085 233 R HN 0.717 nan 8.270 nan 0.000 0.530 234 A N 2.796 125.587 122.820 -0.048 0.000 2.429 234 A HA 0.440 4.760 4.320 -0.001 0.000 0.289 234 A C -2.571 175.003 177.584 -0.016 0.000 1.043 234 A CA -1.682 50.332 52.037 -0.039 0.000 0.722 234 A CB 1.177 20.172 19.000 -0.008 0.000 1.243 234 A HN 0.425 nan 8.150 nan 0.000 0.415 235 P HA 0.263 nan 4.420 nan 0.000 0.267 235 P C 1.173 178.474 177.300 0.003 0.000 1.195 235 P CA 2.221 65.317 63.100 -0.007 0.000 0.773 235 P CB 0.536 32.233 31.700 -0.004 0.000 0.837 236 G N 0.578 109.380 108.800 0.002 0.000 2.143 236 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.248 236 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.248 236 G C 0.121 175.025 174.900 0.006 0.000 0.991 236 G CA 0.261 45.364 45.100 0.006 0.000 0.689 236 G HN 0.811 nan 8.290 nan 0.000 0.522 237 R N -0.567 119.935 120.500 0.002 0.000 2.561 237 R HA 0.530 4.870 4.340 -0.001 0.000 0.266 237 R C 0.547 176.841 176.300 -0.009 0.000 1.091 237 R CA -0.153 55.946 56.100 -0.001 0.000 0.927 237 R CB 0.554 30.860 30.300 0.012 0.000 1.240 237 R HN 0.712 nan 8.270 nan 0.000 0.449 238 G N 2.155 110.939 108.800 -0.027 0.000 2.554 238 G HA2 0.108 4.068 3.960 -0.001 0.000 0.238 238 G HA3 0.108 4.068 3.960 -0.001 0.000 0.238 238 G C -0.410 174.464 174.900 -0.044 0.000 1.259 238 G CA -0.385 44.694 45.100 -0.034 0.000 0.843 238 G HN 0.671 nan 8.290 nan 0.000 0.582 239 D N -0.138 120.258 120.400 -0.007 0.000 2.383 239 D HA 0.268 4.907 4.640 -0.001 0.000 0.248 239 D C -0.254 176.063 176.300 0.029 0.000 1.170 239 D CA -0.018 54.019 54.000 0.062 0.000 0.977 239 D CB 0.807 41.654 40.800 0.077 0.000 1.120 239 D HN 0.126 nan 8.370 nan 0.000 0.481 240 F N 0.326 120.292 119.950 0.028 0.000 2.384 240 F HA 0.344 4.870 4.527 -0.001 0.000 0.338 240 F C 1.064 176.879 175.800 0.024 0.000 1.103 240 F CA -0.043 57.962 58.000 0.008 0.000 1.157 240 F CB 0.701 39.690 39.000 -0.019 0.000 1.167 240 F HN -0.169 nan 8.300 nan 0.000 0.529 241 R N 2.838 123.445 120.500 0.179 0.000 2.707 241 R HA 0.546 4.885 4.340 -0.001 0.000 0.272 241 R C -1.385 175.045 176.300 0.216 0.000 1.011 241 R CA -0.871 55.348 56.100 0.198 0.000 0.893 241 R CB 2.195 32.645 30.300 0.249 0.000 1.233 241 R HN 0.615 nan 8.270 nan 0.000 0.464 242 I N 1.594 122.290 120.570 0.209 0.000 2.382 242 I HA 0.207 4.376 4.170 -0.001 0.000 0.286 242 I C 0.407 176.736 176.117 0.353 0.000 1.002 242 I CA -0.519 60.905 61.300 0.206 0.000 1.135 242 I CB 1.464 39.510 38.000 0.077 0.000 1.288 242 I HN 0.512 nan 8.210 nan 0.000 0.448 243 W N 3.248 124.590 121.300 0.070 0.000 2.436 243 W HA -0.037 4.622 4.660 -0.001 0.000 0.284 243 W C 0.902 177.534 176.519 0.188 0.000 1.225 243 W CA 0.050 57.523 57.345 0.213 0.000 1.271 243 W CB -0.739 28.838 29.460 0.195 0.000 1.114 243 W HN 0.410 nan 8.180 nan 0.000 0.559 244 N N 0.179 119.034 118.700 0.259 0.000 2.492 244 N HA 0.011 4.751 4.740 -0.001 0.000 0.260 244 N C 1.304 176.866 175.510 0.086 0.000 1.215 244 N CA 0.844 53.963 53.050 0.115 0.000 0.923 244 N CB 0.756 39.247 38.487 0.006 0.000 1.092 244 N HN -0.088 nan 8.380 nan 0.000 0.448 245 S N 0.919 116.662 115.700 0.072 0.000 2.428 245 S HA -0.055 4.415 4.470 -0.001 0.000 0.230 245 S C 0.378 174.965 174.600 -0.021 0.000 1.014 245 S CA 0.711 58.941 58.200 0.049 0.000 0.957 245 S CB 0.047 63.296 63.200 0.082 0.000 0.784 245 S HN 0.660 nan 8.310 nan 0.000 0.499 246 Q N -0.903 118.867 119.800 -0.049 0.000 2.495 246 Q HA 0.508 4.847 4.340 -0.001 0.000 0.287 246 Q C 0.103 176.008 176.000 -0.159 0.000 1.078 246 Q CA -0.615 55.118 55.803 -0.117 0.000 0.793 246 Q CB 1.820 30.513 28.738 -0.076 0.000 1.459 246 Q HN 0.115 nan 8.270 nan 0.000 0.422 247 L N 0.144 121.242 121.223 -0.209 0.000 2.313 247 L HA 0.089 4.428 4.340 -0.001 0.000 0.214 247 L C 0.140 176.845 176.870 -0.276 0.000 1.119 247 L CA 0.614 55.329 54.840 -0.208 0.000 0.809 247 L CB 0.371 42.299 42.059 -0.219 0.000 0.933 247 L HN 0.242 nan 8.230 nan 0.000 0.449 248 V N 0.013 119.671 119.914 -0.427 0.000 2.482 248 V HA 0.490 4.610 4.120 -0.001 0.000 0.295 248 V C -0.685 174.905 176.094 -0.840 0.000 1.026 248 V CA -0.683 61.189 62.300 -0.714 0.000 0.856 248 V CB 1.761 32.920 31.823 -1.106 0.000 1.001 248 V HN 0.090 nan 8.190 nan 0.000 0.424 249 R N 2.432 122.582 120.500 -0.584 0.000 2.651 249 R HA 0.603 4.942 4.340 -0.001 0.000 0.278 249 R C -1.544 174.575 176.300 -0.301 0.000 1.010 249 R CA -0.764 55.113 56.100 -0.371 0.000 0.896 249 R CB 1.697 31.902 30.300 -0.158 0.000 1.211 249 R HN 0.653 nan 8.270 nan 0.000 0.456 250 Y N 1.065 121.348 120.300 -0.029 0.000 2.320 250 Y HA 0.539 5.089 4.550 -0.001 0.000 0.324 250 Y C 0.926 176.783 175.900 -0.072 0.000 1.190 250 Y CA -0.941 57.158 58.100 -0.002 0.000 1.215 250 Y CB 1.560 40.094 38.460 0.123 0.000 1.221 250 Y HN 0.661 nan 8.280 nan 0.000 0.486 251 A N 1.676 124.517 122.820 0.036 0.000 2.483 251 A HA 0.463 4.782 4.320 -0.001 0.000 0.238 251 A C 0.499 177.829 177.584 -0.424 0.000 1.070 251 A CA 0.276 52.143 52.037 -0.283 0.000 0.770 251 A CB -0.249 18.444 19.000 -0.512 0.000 1.008 251 A HN 0.915 nan 8.150 nan 0.000 0.497 252 G N 0.927 109.472 108.800 -0.424 0.000 2.744 252 G HA2 0.533 4.492 3.960 -0.001 0.000 0.309 252 G HA3 0.533 4.492 3.960 -0.001 0.000 0.309 252 G C -1.104 173.645 174.900 -0.251 0.000 1.328 252 G CA -0.242 44.687 45.100 -0.285 0.000 1.034 252 G HN 0.505 nan 8.290 nan 0.000 0.518 253 Y N 1.332 121.644 120.300 0.019 0.000 2.367 253 Y HA 0.432 4.981 4.550 -0.001 0.000 0.342 253 Y C 0.928 176.826 175.900 -0.003 0.000 0.979 253 Y CA -1.206 56.905 58.100 0.019 0.000 1.161 253 Y CB 1.205 39.673 38.460 0.014 0.000 1.155 253 Y HN 0.560 nan 8.280 nan 0.000 0.503 254 R N 3.089 123.676 120.500 0.145 0.000 2.489 254 R HA 0.109 4.449 4.340 -0.001 0.000 0.287 254 R C -0.355 175.988 176.300 0.070 0.000 1.053 254 R CA -0.055 56.092 56.100 0.078 0.000 1.036 254 R CB 0.378 30.711 30.300 0.055 0.000 0.966 254 R HN 0.587 nan 8.270 nan 0.000 0.432 255 Q N 2.497 122.324 119.800 0.045 0.000 2.180 255 Q HA 0.140 4.479 4.340 -0.001 0.000 0.241 255 Q C 1.061 177.068 176.000 0.012 0.000 0.970 255 Q CA 0.311 56.129 55.803 0.025 0.000 0.919 255 Q CB 1.173 29.922 28.738 0.018 0.000 1.222 255 Q HN 0.820 nan 8.270 nan 0.000 0.482 256 Q N 0.675 120.476 119.800 0.002 0.000 2.050 256 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 256 Q C 1.662 177.662 176.000 0.000 0.000 0.980 256 Q CA 2.456 58.258 55.803 -0.002 0.000 0.840 256 Q CB -1.566 27.166 28.738 -0.009 0.000 0.898 256 Q HN 0.893 nan 8.270 nan 0.000 0.424 257 D N -1.231 119.169 120.400 -0.000 0.000 2.392 257 D HA 0.317 4.957 4.640 -0.001 0.000 0.228 257 D C 1.669 177.971 176.300 0.004 0.000 1.003 257 D CA 1.349 55.349 54.000 0.000 0.000 0.917 257 D CB -0.687 40.113 40.800 -0.001 0.000 0.890 257 D HN 1.536 nan 8.370 nan 0.000 0.532 258 G N -0.622 108.182 108.800 0.006 0.000 2.175 258 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.244 258 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.244 258 G C 0.992 175.898 174.900 0.010 0.000 0.982 258 G CA 1.172 46.277 45.100 0.009 0.000 0.641 258 G HN 1.567 nan 8.290 nan 0.000 0.527 259 S N -1.141 114.564 115.700 0.008 0.000 2.632 259 S HA 0.794 5.263 4.470 -0.001 0.000 0.267 259 S C 0.001 174.605 174.600 0.007 0.000 1.193 259 S CA -0.022 58.181 58.200 0.006 0.000 1.003 259 S CB 2.271 65.472 63.200 0.003 0.000 1.073 259 S HN 1.125 nan 8.310 nan 0.000 0.553 260 V N 0.820 120.731 119.914 -0.005 0.000 2.638 260 V HA 0.541 4.660 4.120 -0.001 0.000 0.306 260 V C -0.303 175.776 176.094 -0.025 0.000 1.052 260 V CA -0.750 61.545 62.300 -0.009 0.000 0.885 260 V CB 1.640 33.441 31.823 -0.036 0.000 0.999 260 V HN 0.919 nan 8.190 nan 0.000 0.424 261 R N 2.879 123.399 120.500 0.033 0.000 2.255 261 R HA 0.696 5.035 4.340 -0.001 0.000 0.326 261 R C 0.518 176.824 176.300 0.009 0.000 0.986 261 R CA 0.971 57.102 56.100 0.052 0.000 0.847 261 R CB 1.005 31.398 30.300 0.155 0.000 1.111 261 R HN 1.237 nan 8.270 nan 0.000 0.452 262 G N 2.854 111.560 108.800 -0.157 0.000 2.418 262 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.206 262 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.206 262 G C -1.414 173.182 174.900 -0.507 0.000 1.202 262 G CA -0.219 44.721 45.100 -0.268 0.000 1.061 262 G HN 0.620 nan 8.290 nan 0.000 0.563 263 D N 1.457 121.681 120.400 -0.294 0.000 2.347 263 D HA 0.544 5.183 4.640 -0.001 0.000 0.235 263 D C -1.007 175.207 176.300 -0.142 0.000 1.149 263 D CA -1.928 51.914 54.000 -0.264 0.000 0.850 263 D CB 1.476 42.413 40.800 0.228 0.000 1.061 263 D HN -0.021 nan 8.370 nan 0.000 0.487 264 P HA -0.138 nan 4.420 nan 0.000 0.218 264 P C 0.922 178.229 177.300 0.011 0.000 1.146 264 P CA 1.140 64.204 63.100 -0.060 0.000 0.813 264 P CB 0.281 31.956 31.700 -0.041 0.000 0.778 265 A N -0.408 122.443 122.820 0.051 0.000 2.019 265 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 265 A C 1.596 179.222 177.584 0.070 0.000 1.164 265 A CA 1.426 53.519 52.037 0.095 0.000 0.644 265 A CB -0.920 18.168 19.000 0.146 0.000 0.805 265 A HN 0.172 nan 8.150 nan 0.000 0.449 266 N N 0.009 118.734 118.700 0.042 0.000 2.320 266 N HA 0.164 4.903 4.740 -0.001 0.000 0.237 266 N C 1.013 176.502 175.510 -0.034 0.000 1.129 266 N CA 0.150 53.205 53.050 0.008 0.000 0.854 266 N CB 0.678 39.168 38.487 0.004 0.000 1.083 266 N HN 0.222 nan 8.380 nan 0.000 0.504 267 V N 0.763 120.664 119.914 -0.022 0.000 2.295 267 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 267 V C 2.439 178.515 176.094 -0.030 0.000 1.049 267 V CA 1.759 64.044 62.300 -0.025 0.000 1.024 267 V CB -0.274 31.547 31.823 -0.004 0.000 0.648 267 V HN 0.389 nan 8.190 nan 0.000 0.447 268 E N -0.159 120.020 120.200 -0.036 0.000 2.047 268 E HA -0.244 4.105 4.350 -0.001 0.000 0.191 268 E C 2.126 178.618 176.600 -0.179 0.000 0.987 268 E CA 1.572 57.918 56.400 -0.090 0.000 0.799 268 E CB -0.158 29.502 29.700 -0.067 0.000 0.752 268 E HN 0.493 nan 8.360 nan 0.000 0.449 269 I N 0.722 121.196 120.570 -0.160 0.000 2.394 269 I HA -0.173 3.997 4.170 -0.001 0.000 0.251 269 I C 1.976 178.014 176.117 -0.131 0.000 1.136 269 I CA 1.456 62.638 61.300 -0.196 0.000 1.425 269 I CB -0.317 37.618 38.000 -0.108 0.000 1.079 269 I HN 0.065 nan 8.210 nan 0.000 0.425 270 T N 0.765 115.268 114.554 -0.084 0.000 2.821 270 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 270 T C 1.992 176.740 174.700 0.080 0.000 1.046 270 T CA 1.730 63.818 62.100 -0.021 0.000 1.139 270 T CB -0.498 68.345 68.868 -0.041 0.000 0.871 270 T HN 0.644 nan 8.240 nan 0.000 0.454 271 E N 1.224 121.442 120.200 0.030 0.000 2.106 271 E HA 0.023 4.373 4.350 -0.001 0.000 0.192 271 E C 2.101 178.733 176.600 0.053 0.000 0.984 271 E CA 0.872 57.305 56.400 0.055 0.000 0.806 271 E CB -0.994 28.714 29.700 0.013 0.000 0.750 271 E HN 0.564 nan 8.360 nan 0.000 0.458 272 L N -0.235 120.977 121.223 -0.018 0.000 2.141 272 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 272 L C 2.784 179.728 176.870 0.124 0.000 1.094 272 L CA 1.059 55.919 54.840 0.033 0.000 0.763 272 L CB -0.352 41.641 42.059 -0.110 0.000 0.908 272 L HN 0.434 nan 8.230 nan 0.000 0.437 273 C N -0.104 119.231 119.300 0.058 0.000 2.446 273 C HA -0.119 4.341 4.460 -0.001 0.000 0.277 273 C C 2.721 177.892 174.990 0.303 0.000 1.275 273 C CA 0.430 59.497 59.018 0.082 0.000 1.727 273 C CB -0.540 27.133 27.740 -0.112 0.000 2.010 273 C HN 0.425 nan 8.230 nan 0.000 0.486 274 I N 0.385 121.164 120.570 0.348 0.000 2.315 274 I HA -0.252 3.918 4.170 -0.001 0.000 0.248 274 I C 2.690 178.900 176.117 0.155 0.000 1.117 274 I CA 1.451 62.925 61.300 0.290 0.000 1.404 274 I CB -0.513 37.614 38.000 0.213 0.000 1.071 274 I HN 0.478 nan 8.210 nan 0.000 0.419 275 Q N -0.093 119.785 119.800 0.131 0.000 2.050 275 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 275 Q C 1.094 177.074 176.000 -0.032 0.000 0.980 275 Q CA 1.361 57.186 55.803 0.037 0.000 0.840 275 Q CB -0.170 28.587 28.738 0.031 0.000 0.898 275 Q HN 0.577 nan 8.270 nan 0.000 0.424 276 H N -0.787 118.281 119.070 -0.003 0.000 2.933 276 H HA 0.189 4.745 4.556 -0.001 0.000 0.306 276 H C 0.582 175.898 175.328 -0.020 0.000 1.142 276 H CA 0.667 56.688 56.048 -0.045 0.000 1.193 276 H CB -0.350 29.342 29.762 -0.117 0.000 1.330 276 H HN 0.483 nan 8.280 nan 0.000 0.585 277 G N -0.416 108.425 108.800 0.069 0.000 2.160 277 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.244 277 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.244 277 G C -0.150 174.826 174.900 0.127 0.000 1.022 277 G CA 0.041 45.172 45.100 0.053 0.000 0.741 277 G HN 0.473 nan 8.290 nan 0.000 0.508 278 W N 1.378 122.665 121.300 -0.022 0.000 2.438 278 W HA 0.693 5.352 4.660 -0.001 0.000 0.324 278 W C 0.141 176.659 176.519 -0.001 0.000 1.119 278 W CA -0.326 57.009 57.345 -0.016 0.000 1.221 278 W CB 1.301 30.759 29.460 -0.003 0.000 1.253 278 W HN 0.090 nan 8.180 nan 0.000 0.555 279 T N 8.197 122.289 114.554 -0.770 0.000 2.753 279 T HA 0.274 4.624 4.350 -0.001 0.000 0.297 279 T C -1.974 171.942 174.700 -1.308 0.000 0.981 279 T CA -0.899 60.757 62.100 -0.741 0.000 0.956 279 T CB 1.004 69.621 68.868 -0.418 0.000 0.936 279 T HN 0.182 nan 8.240 nan 0.000 0.463 280 P HA 0.392 nan 4.420 nan 0.000 0.287 280 P C 0.074 177.042 177.300 -0.552 0.000 1.282 280 P CA -0.028 62.562 63.100 -0.850 0.000 0.804 280 P CB 0.349 31.801 31.700 -0.413 0.000 1.323 281 G N -0.650 107.863 108.800 -0.477 0.000 2.030 281 G HA2 0.239 4.198 3.960 -0.001 0.000 0.309 281 G HA3 0.239 4.198 3.960 -0.001 0.000 0.309 281 G C -1.062 173.536 174.900 -0.503 0.000 1.668 281 G CA -0.644 44.262 45.100 -0.323 0.000 0.926 281 G HN 0.579 nan 8.290 nan 0.000 0.652 282 N N 1.274 119.702 118.700 -0.454 0.000 3.103 282 N HA 0.440 5.180 4.740 -0.001 0.000 0.305 282 N C 0.727 176.200 175.510 -0.062 0.000 1.232 282 N CA 0.479 53.295 53.050 -0.389 0.000 1.190 282 N CB 0.454 38.766 38.487 -0.291 0.000 1.461 282 N HN 0.677 nan 8.380 nan 0.000 0.538 283 G N 0.388 109.260 108.800 0.121 0.000 2.471 283 G HA2 0.301 4.260 3.960 -0.001 0.000 0.332 283 G HA3 0.301 4.260 3.960 -0.001 0.000 0.332 283 G C 0.391 175.393 174.900 0.170 0.000 1.176 283 G CA -0.888 44.307 45.100 0.158 0.000 0.949 283 G HN 0.437 nan 8.290 nan 0.000 0.488 284 R N -0.695 119.816 120.500 0.018 0.000 2.276 284 R HA 0.140 4.479 4.340 -0.001 0.000 0.196 284 R C -0.304 175.553 176.300 -0.739 0.000 0.961 284 R CA 0.630 56.549 56.100 -0.301 0.000 1.024 284 R CB 0.108 30.160 30.300 -0.413 0.000 0.940 284 R HN 0.424 nan 8.270 nan 0.000 0.480 285 F N 0.596 120.483 119.950 -0.105 0.000 2.566 285 F HA 0.238 4.764 4.527 -0.001 0.000 0.352 285 F C -0.920 174.770 175.800 -0.184 0.000 1.534 285 F CA -1.160 56.481 58.000 -0.599 0.000 1.097 285 F CB 0.735 39.177 39.000 -0.930 0.000 1.488 285 F HN -0.278 nan 8.300 nan 0.000 0.562 286 D N 1.749 122.297 120.400 0.246 0.000 2.313 286 D HA 0.233 4.872 4.640 -0.001 0.000 0.239 286 D C 0.276 176.816 176.300 0.400 0.000 1.142 286 D CA -0.053 54.161 54.000 0.356 0.000 0.847 286 D CB 2.370 43.433 40.800 0.438 0.000 1.082 286 D HN -0.045 nan 8.370 nan 0.000 0.480 287 V N 3.378 123.504 119.914 0.353 0.000 2.617 287 V HA -0.044 4.076 4.120 -0.001 0.000 0.304 287 V C 1.082 177.188 176.094 0.020 0.000 1.040 287 V CA -0.006 62.387 62.300 0.156 0.000 1.149 287 V CB 0.163 32.030 31.823 0.074 0.000 0.914 287 V HN 0.350 nan 8.190 nan 0.000 0.487 288 L N 7.510 128.635 121.223 -0.164 0.000 2.456 288 L HA 0.436 4.775 4.340 -0.001 0.000 0.257 288 L C -1.716 174.891 176.870 -0.438 0.000 1.162 288 L CA -1.494 53.082 54.840 -0.440 0.000 0.808 288 L CB 1.207 43.016 42.059 -0.418 0.000 1.136 288 L HN 0.501 nan 8.230 nan 0.000 0.466 289 P HA 0.314 nan 4.420 nan 0.000 0.281 289 P C -1.316 175.810 177.300 -0.289 0.000 1.281 289 P CA -0.554 62.282 63.100 -0.441 0.000 0.811 289 P CB 1.209 32.525 31.700 -0.640 0.000 1.154 290 L N 0.505 121.648 121.223 -0.133 0.000 2.322 290 L HA 0.363 4.703 4.340 -0.001 0.000 0.279 290 L C 0.093 176.930 176.870 -0.055 0.000 1.036 290 L CA -1.009 53.794 54.840 -0.061 0.000 0.807 290 L CB 1.031 43.112 42.059 0.036 0.000 1.226 290 L HN 0.169 nan 8.230 nan 0.000 0.433 291 L N 4.581 125.748 121.223 -0.093 0.000 2.360 291 L HA 0.419 4.758 4.340 -0.001 0.000 0.265 291 L C -0.416 176.333 176.870 -0.202 0.000 1.066 291 L CA 0.097 54.793 54.840 -0.240 0.000 0.929 291 L CB 0.599 42.434 42.059 -0.373 0.000 1.306 291 L HN 0.390 nan 8.230 nan 0.000 0.434 292 L N 3.005 124.176 121.223 -0.087 0.000 2.276 292 L HA 0.469 4.809 4.340 -0.001 0.000 0.286 292 L C 0.166 176.973 176.870 -0.106 0.000 1.061 292 L CA -0.265 54.531 54.840 -0.074 0.000 0.807 292 L CB 1.225 43.216 42.059 -0.112 0.000 1.177 292 L HN 0.523 nan 8.230 nan 0.000 0.429 293 Q N 3.003 122.759 119.800 -0.073 0.000 2.333 293 Q HA 0.660 4.999 4.340 -0.001 0.000 0.268 293 Q C -1.035 174.913 176.000 -0.087 0.000 1.007 293 Q CA -0.603 55.163 55.803 -0.062 0.000 0.810 293 Q CB 2.009 30.792 28.738 0.075 0.000 1.264 293 Q HN 0.768 nan 8.270 nan 0.000 0.452 294 A N 5.176 127.901 122.820 -0.157 0.000 2.293 294 A HA 0.652 4.972 4.320 -0.001 0.000 0.302 294 A C -2.429 174.914 177.584 -0.402 0.000 1.119 294 A CA -1.747 50.057 52.037 -0.388 0.000 0.823 294 A CB 0.295 19.165 19.000 -0.217 0.000 1.097 294 A HN 0.655 nan 8.150 nan 0.000 0.491 295 P HA -0.050 nan 4.420 nan 0.000 0.263 295 P C -0.561 176.636 177.300 -0.171 0.000 1.162 295 P CA 0.965 63.847 63.100 -0.364 0.000 0.758 295 P CB 0.131 31.592 31.700 -0.398 0.000 0.773 296 D N 0.401 120.747 120.400 -0.090 0.000 2.733 296 D HA -0.213 4.427 4.640 -0.001 0.000 0.232 296 D C -0.205 176.079 176.300 -0.027 0.000 1.161 296 D CA 1.375 55.352 54.000 -0.037 0.000 0.653 296 D CB -0.750 40.032 40.800 -0.031 0.000 1.052 296 D HN 0.587 nan 8.370 nan 0.000 0.424 297 E N -0.989 119.192 120.200 -0.032 0.000 2.356 297 E HA 0.616 4.966 4.350 -0.001 0.000 0.275 297 E C -0.337 176.259 176.600 -0.007 0.000 0.904 297 E CA -0.893 55.494 56.400 -0.021 0.000 0.757 297 E CB 1.801 31.476 29.700 -0.042 0.000 1.232 297 E HN 0.112 nan 8.360 nan 0.000 0.442 298 A N 3.186 126.007 122.820 0.001 0.000 2.483 298 A HA 0.275 4.595 4.320 -0.001 0.000 0.238 298 A C -1.900 175.625 177.584 -0.100 0.000 1.070 298 A CA -0.723 51.312 52.037 -0.002 0.000 0.770 298 A CB -0.543 18.473 19.000 0.026 0.000 1.008 298 A HN 0.322 nan 8.150 nan 0.000 0.497 299 P HA 0.168 nan 4.420 nan 0.000 0.271 299 P C -0.549 176.583 177.300 -0.279 0.000 1.238 299 P CA 0.147 62.962 63.100 -0.475 0.000 0.794 299 P CB 0.596 31.561 31.700 -1.226 0.000 0.959 300 E N -0.406 119.671 120.200 -0.205 0.000 2.314 300 E HA 0.415 4.765 4.350 -0.001 0.000 0.272 300 E C -1.046 175.412 176.600 -0.237 0.000 0.884 300 E CA -1.051 55.241 56.400 -0.180 0.000 0.753 300 E CB 1.881 31.538 29.700 -0.071 0.000 1.213 300 E HN 0.227 nan 8.360 nan 0.000 0.432 301 L N 2.962 123.938 121.223 -0.413 0.000 2.326 301 L HA 0.445 4.785 4.340 -0.001 0.000 0.278 301 L C -1.520 174.916 176.870 -0.724 0.000 1.092 301 L CA 0.247 54.862 54.840 -0.375 0.000 0.810 301 L CB 0.160 42.080 42.059 -0.231 0.000 1.153 301 L HN 0.403 nan 8.230 nan 0.000 0.439 302 F N 3.941 123.684 119.950 -0.346 0.000 2.557 302 F HA 0.441 4.967 4.527 -0.001 0.000 0.316 302 F C -0.358 175.213 175.800 -0.382 0.000 1.141 302 F CA -0.845 56.814 58.000 -0.568 0.000 0.922 302 F CB 1.759 40.117 39.000 -1.070 0.000 1.194 302 F HN 0.002 nan 8.300 nan 0.000 0.443 303 V N 4.701 124.534 119.914 -0.135 0.000 2.432 303 V HA 0.274 4.393 4.120 -0.001 0.000 0.275 303 V C 0.243 176.429 176.094 0.154 0.000 1.043 303 V CA -0.711 61.594 62.300 0.009 0.000 0.925 303 V CB 1.424 33.284 31.823 0.062 0.000 0.985 303 V HN 0.551 nan 8.190 nan 0.000 0.466 304 L N 7.309 128.638 121.223 0.176 0.000 2.410 304 L HA 0.258 4.598 4.340 -0.001 0.000 0.273 304 L C -2.098 174.873 176.870 0.168 0.000 1.144 304 L CA -1.445 53.533 54.840 0.231 0.000 0.863 304 L CB 0.805 42.930 42.059 0.110 0.000 1.140 304 L HN 0.447 nan 8.230 nan 0.000 0.463 305 P HA 0.078 nan 4.420 nan 0.000 0.265 305 P C -1.953 175.395 177.300 0.080 0.000 1.222 305 P CA -0.954 62.218 63.100 0.120 0.000 0.767 305 P CB 0.491 32.255 31.700 0.106 0.000 0.801 306 P HA -0.294 nan 4.420 nan 0.000 0.220 306 P C 1.372 178.702 177.300 0.049 0.000 1.155 306 P CA 1.593 64.733 63.100 0.066 0.000 0.880 306 P CB -0.160 31.582 31.700 0.070 0.000 0.790 307 E N -0.469 119.756 120.200 0.042 0.000 2.333 307 E HA -0.128 4.221 4.350 -0.001 0.000 0.198 307 E C 1.799 178.413 176.600 0.022 0.000 1.007 307 E CA 0.986 57.404 56.400 0.029 0.000 0.845 307 E CB -1.076 28.639 29.700 0.025 0.000 0.766 307 E HN 0.351 nan 8.360 nan 0.000 0.507 308 L N 0.742 121.978 121.223 0.022 0.000 2.375 308 L HA 0.097 4.436 4.340 -0.001 0.000 0.215 308 L C 0.771 177.649 176.870 0.014 0.000 1.108 308 L CA 0.097 54.943 54.840 0.011 0.000 0.830 308 L CB 0.336 42.393 42.059 -0.004 0.000 0.959 308 L HN -0.115 nan 8.230 nan 0.000 0.457 309 V N 2.582 122.508 119.914 0.019 0.000 2.299 309 V HA 0.109 4.229 4.120 -0.001 0.000 0.255 309 V C 0.151 176.269 176.094 0.040 0.000 1.100 309 V CA -0.461 61.850 62.300 0.018 0.000 0.938 309 V CB 0.869 32.695 31.823 0.005 0.000 1.139 309 V HN 0.068 nan 8.190 nan 0.000 0.490 310 L N 5.696 126.948 121.223 0.047 0.000 2.410 310 L HA 0.387 4.726 4.340 -0.001 0.000 0.273 310 L C 0.235 177.142 176.870 0.062 0.000 1.152 310 L CA 0.785 55.648 54.840 0.039 0.000 0.855 310 L CB 0.312 42.389 42.059 0.030 0.000 1.129 310 L HN 0.648 nan 8.230 nan 0.000 0.463 311 E N 3.414 123.628 120.200 0.023 0.000 2.336 311 E HA 0.571 4.920 4.350 -0.001 0.000 0.267 311 E C -1.482 175.065 176.600 -0.089 0.000 0.906 311 E CA -1.023 55.393 56.400 0.026 0.000 0.781 311 E CB 2.449 32.193 29.700 0.073 0.000 1.261 311 E HN 0.341 nan 8.360 nan 0.000 0.436 312 V N 3.126 122.960 119.914 -0.134 0.000 2.349 312 V HA 0.279 4.398 4.120 -0.001 0.000 0.284 312 V C -2.249 173.785 176.094 -0.100 0.000 1.014 312 V CA -1.798 60.359 62.300 -0.238 0.000 0.826 312 V CB 1.157 32.571 31.823 -0.682 0.000 1.009 312 V HN 0.533 nan 8.190 nan 0.000 0.431 313 P HA 0.211 nan 4.420 nan 0.000 0.271 313 P C -0.714 176.591 177.300 0.008 0.000 1.216 313 P CA -0.047 63.020 63.100 -0.055 0.000 0.776 313 P CB 1.201 32.875 31.700 -0.043 0.000 0.881 314 L N 2.773 124.033 121.223 0.060 0.000 2.312 314 L HA 0.505 4.844 4.340 -0.001 0.000 0.281 314 L C 1.021 178.057 176.870 0.275 0.000 1.070 314 L CA -0.283 54.667 54.840 0.184 0.000 0.805 314 L CB 0.676 42.909 42.059 0.289 0.000 1.174 314 L HN 0.530 nan 8.230 nan 0.000 0.434 315 E N 1.342 121.698 120.200 0.261 0.000 2.372 315 E HA 0.325 4.674 4.350 -0.001 0.000 0.279 315 E C -1.488 175.158 176.600 0.078 0.000 0.946 315 E CA -0.919 55.644 56.400 0.273 0.000 0.769 315 E CB 1.931 31.740 29.700 0.182 0.000 1.230 315 E HN 0.521 nan 8.360 nan 0.000 0.442 316 H N 2.695 121.652 119.070 -0.189 0.000 2.481 316 H HA 0.240 4.796 4.556 -0.001 0.000 0.339 316 H C -1.652 173.394 175.328 -0.470 0.000 1.131 316 H CA -2.089 53.680 56.048 -0.466 0.000 1.301 316 H CB 1.868 31.246 29.762 -0.641 0.000 1.476 316 H HN 0.456 nan 8.280 nan 0.000 0.529 317 P HA -0.093 nan 4.420 nan 0.000 0.222 317 P C 0.766 177.908 177.300 -0.263 0.000 1.147 317 P CA 1.528 64.105 63.100 -0.872 0.000 0.790 317 P CB 0.440 31.592 31.700 -0.913 0.000 0.780 318 T N -5.362 109.237 114.554 0.075 0.000 3.080 318 T HA 0.232 4.582 4.350 -0.001 0.000 0.280 318 T C 0.467 175.112 174.700 -0.092 0.000 0.926 318 T CA -0.244 61.856 62.100 0.000 0.000 0.883 318 T CB -0.532 68.341 68.868 0.007 0.000 1.194 318 T HN -0.064 nan 8.240 nan 0.000 0.541 319 L N 2.417 123.502 121.223 -0.230 0.000 2.314 319 L HA 0.639 4.978 4.340 -0.001 0.000 0.275 319 L C 1.894 178.413 176.870 -0.585 0.000 1.068 319 L CA -0.266 54.191 54.840 -0.639 0.000 0.894 319 L CB 0.675 41.969 42.059 -1.274 0.000 1.275 319 L HN 0.383 nan 8.230 nan 0.000 0.432 320 E N 4.153 124.168 120.200 -0.308 0.000 2.171 320 E HA -0.218 4.131 4.350 -0.001 0.000 0.197 320 E C 1.569 178.116 176.600 -0.088 0.000 0.997 320 E CA 2.005 58.328 56.400 -0.129 0.000 0.810 320 E CB -0.595 29.103 29.700 -0.003 0.000 0.738 320 E HN 0.874 nan 8.360 nan 0.000 0.467 321 W N -1.242 120.108 121.300 0.082 0.000 2.465 321 W HA 0.045 4.705 4.660 0.000 0.000 0.268 321 W C 1.943 178.513 176.519 0.086 0.000 1.242 321 W CA 0.456 57.840 57.345 0.065 0.000 1.248 321 W CB -1.012 28.466 29.460 0.031 0.000 1.118 321 W HN 0.233 nan 8.180 nan 0.000 0.587 322 F N 2.969 122.666 119.950 -0.422 0.000 2.091 322 F HA -0.222 4.304 4.527 -0.001 0.000 0.299 322 F C 2.767 178.583 175.800 0.028 0.000 1.103 322 F CA 3.298 61.177 58.000 -0.200 0.000 1.228 322 F CB -0.688 38.071 39.000 -0.402 0.000 0.984 322 F HN -0.070 nan 8.300 nan 0.000 0.477 323 A N -0.020 122.910 122.820 0.185 0.000 1.978 323 A HA -0.125 4.194 4.320 -0.001 0.000 0.220 323 A C 2.264 179.893 177.584 0.075 0.000 1.170 323 A CA 1.634 53.754 52.037 0.139 0.000 0.636 323 A CB -1.489 17.578 19.000 0.111 0.000 0.810 323 A HN 0.471 nan 8.150 nan 0.000 0.448 324 A N -0.586 122.289 122.820 0.092 0.000 2.172 324 A HA 0.131 4.450 4.320 -0.001 0.000 0.216 324 A C 1.856 179.476 177.584 0.060 0.000 1.154 324 A CA 0.959 53.049 52.037 0.088 0.000 0.701 324 A CB -0.542 18.535 19.000 0.129 0.000 0.789 324 A HN 0.493 nan 8.150 nan 0.000 0.465 325 L N -1.126 120.102 121.223 0.009 0.000 2.465 325 L HA 0.050 4.390 4.340 -0.001 0.000 0.224 325 L C 1.774 178.659 176.870 0.025 0.000 1.145 325 L CA 0.570 55.396 54.840 -0.024 0.000 0.834 325 L CB -0.462 41.481 42.059 -0.193 0.000 0.944 325 L HN 0.564 nan 8.230 nan 0.000 0.451 326 G N 0.752 109.568 108.800 0.027 0.000 2.198 326 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.260 326 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.260 326 G C 0.177 175.095 174.900 0.031 0.000 1.025 326 G CA 0.070 45.200 45.100 0.051 0.000 0.769 326 G HN 0.267 nan 8.290 nan 0.000 0.507 327 L N -0.885 120.318 121.223 -0.034 0.000 2.421 327 L HA 0.870 5.210 4.340 -0.001 0.000 0.263 327 L C 0.960 177.613 176.870 -0.361 0.000 1.122 327 L CA -0.697 54.050 54.840 -0.156 0.000 0.804 327 L CB 1.181 43.241 42.059 0.001 0.000 1.150 327 L HN 0.613 nan 8.230 nan 0.000 0.457 328 R N 0.288 120.358 120.500 -0.717 0.000 2.752 328 R HA 0.526 4.866 4.340 -0.001 0.000 0.277 328 R C -2.143 174.089 176.300 -0.113 0.000 1.024 328 R CA -1.050 54.805 56.100 -0.408 0.000 0.866 328 R CB 1.402 31.420 30.300 -0.470 0.000 1.278 328 R HN 0.638 nan 8.270 nan 0.000 0.473 329 W N 1.178 122.420 121.300 -0.096 0.000 3.146 329 W HA 0.361 5.020 4.660 -0.001 0.000 0.319 329 W C -1.362 175.232 176.519 0.125 0.000 1.258 329 W CA -0.982 56.403 57.345 0.068 0.000 1.189 329 W CB 1.959 31.370 29.460 -0.082 0.000 1.412 329 W HN 0.702 nan 8.180 nan 0.000 0.567 330 Y N 0.862 121.110 120.300 -0.088 0.000 2.307 330 Y HA 0.607 5.157 4.550 -0.001 0.000 0.324 330 Y C 0.760 176.903 175.900 0.406 0.000 1.238 330 Y CA -0.055 58.073 58.100 0.048 0.000 1.280 330 Y CB 0.439 38.793 38.460 -0.177 0.000 1.248 330 Y HN 0.350 nan 8.280 nan 0.000 0.508 331 A N 2.424 125.508 122.820 0.440 0.000 1.968 331 A HA 0.013 4.333 4.320 -0.001 0.000 0.217 331 A C 0.649 178.584 177.584 0.584 0.000 1.169 331 A CA 0.473 52.827 52.037 0.529 0.000 0.638 331 A CB -0.405 18.741 19.000 0.243 0.000 0.812 331 A HN 0.696 nan 8.150 nan 0.000 0.446 332 L N 2.150 123.668 121.223 0.491 0.000 2.268 332 L HA 0.365 4.705 4.340 -0.001 0.000 0.289 332 L C -2.469 174.558 176.870 0.261 0.000 1.064 332 L CA -2.099 52.931 54.840 0.317 0.000 0.824 332 L CB 1.305 43.469 42.059 0.174 0.000 1.202 332 L HN 0.014 nan 8.230 nan 0.000 0.433 333 P HA 0.318 nan 4.420 nan 0.000 0.291 333 P C -1.443 175.754 177.300 -0.171 0.000 1.378 333 P CA -0.357 62.569 63.100 -0.291 0.000 0.853 333 P CB 1.345 32.453 31.700 -0.987 0.000 1.002 334 A N 4.609 127.338 122.820 -0.151 0.000 2.466 334 A HA 0.415 4.734 4.320 -0.001 0.000 0.291 334 A C -0.192 177.173 177.584 -0.365 0.000 1.234 334 A CA -0.657 51.228 52.037 -0.253 0.000 0.752 334 A CB 0.789 19.642 19.000 -0.246 0.000 1.153 334 A HN 0.295 nan 8.150 nan 0.000 0.458 335 V N 2.743 122.295 119.914 -0.605 0.000 2.572 335 V HA 0.258 4.378 4.120 -0.001 0.000 0.291 335 V C 1.218 176.874 176.094 -0.730 0.000 1.039 335 V CA 1.218 63.107 62.300 -0.685 0.000 1.055 335 V CB 1.196 32.470 31.823 -0.914 0.000 0.969 335 V HN 1.105 nan 8.190 nan 0.000 0.482 336 S N 1.478 116.960 115.700 -0.363 0.000 2.787 336 S HA 0.052 4.521 4.470 -0.001 0.000 0.255 336 S C 0.799 175.357 174.600 -0.070 0.000 1.051 336 S CA 0.072 58.143 58.200 -0.214 0.000 1.124 336 S CB -0.383 62.735 63.200 -0.138 0.000 1.104 336 S HN 0.911 nan 8.310 nan 0.000 0.623 337 N N 0.353 119.024 118.700 -0.049 0.000 2.205 337 N HA 0.282 5.022 4.740 -0.001 0.000 0.201 337 N C 0.349 175.904 175.510 0.075 0.000 1.128 337 N CA -0.466 52.600 53.050 0.027 0.000 0.867 337 N CB 0.060 38.569 38.487 0.037 0.000 0.996 337 N HN 0.262 nan 8.380 nan 0.000 0.503 338 M N 1.277 120.938 119.600 0.102 0.000 2.227 338 M HA 0.274 4.754 4.480 -0.001 0.000 0.316 338 M C -0.431 176.015 176.300 0.243 0.000 1.144 338 M CA -0.644 54.779 55.300 0.204 0.000 1.121 338 M CB 1.921 34.687 32.600 0.277 0.000 1.440 338 M HN 0.115 nan 8.290 nan 0.000 0.473 339 L N 2.572 123.935 121.223 0.234 0.000 2.282 339 L HA 0.463 4.802 4.340 -0.001 0.000 0.288 339 L C -1.268 175.746 176.870 0.240 0.000 1.033 339 L CA -0.948 54.015 54.840 0.205 0.000 0.807 339 L CB 1.093 43.220 42.059 0.113 0.000 1.209 339 L HN 0.531 nan 8.230 nan 0.000 0.423 340 L N 5.503 126.870 121.223 0.240 0.000 2.257 340 L HA 0.429 4.769 4.340 -0.001 0.000 0.290 340 L C -0.431 176.486 176.870 0.077 0.000 1.044 340 L CA 0.335 55.218 54.840 0.073 0.000 0.810 340 L CB 1.029 43.136 42.059 0.080 0.000 1.193 340 L HN 0.627 nan 8.230 nan 0.000 0.425 341 E N 6.543 126.704 120.200 -0.066 0.000 2.158 341 E HA 0.428 4.777 4.350 -0.001 0.000 0.271 341 E C -1.574 174.959 176.600 -0.110 0.000 0.911 341 E CA -0.471 55.900 56.400 -0.048 0.000 0.767 341 E CB 1.222 30.888 29.700 -0.058 0.000 1.120 341 E HN 0.738 nan 8.360 nan 0.000 0.405 342 I N 2.465 122.976 120.570 -0.098 0.000 2.534 342 I HA 0.253 4.422 4.170 -0.001 0.000 0.288 342 I C 0.853 176.773 176.117 -0.329 0.000 1.077 342 I CA -0.714 60.410 61.300 -0.293 0.000 1.051 342 I CB 2.048 39.812 38.000 -0.394 0.000 1.234 342 I HN 0.818 nan 8.210 nan 0.000 0.425 343 G N 4.112 112.734 108.800 -0.298 0.000 2.337 343 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.290 343 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.290 343 G C 1.020 176.004 174.900 0.139 0.000 1.003 343 G CA 0.935 46.057 45.100 0.037 0.000 0.825 343 G HN 1.606 nan 8.290 nan 0.000 0.509 344 G N -2.199 106.624 108.800 0.038 0.000 2.194 344 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.236 344 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.236 344 G C 0.405 175.271 174.900 -0.056 0.000 0.987 344 G CA 0.339 45.463 45.100 0.040 0.000 0.635 344 G HN 1.201 nan 8.290 nan 0.000 0.520 345 L N 0.895 122.021 121.223 -0.161 0.000 2.357 345 L HA 0.612 4.951 4.340 -0.001 0.000 0.273 345 L C 0.190 176.835 176.870 -0.376 0.000 1.080 345 L CA -0.579 54.042 54.840 -0.366 0.000 0.803 345 L CB 1.210 42.938 42.059 -0.551 0.000 1.174 345 L HN 0.169 nan 8.230 nan 0.000 0.443 346 E N 2.775 122.679 120.200 -0.492 0.000 2.191 346 E HA 0.331 4.681 4.350 -0.001 0.000 0.263 346 E C -1.470 174.835 176.600 -0.490 0.000 0.881 346 E CA -0.390 55.805 56.400 -0.342 0.000 0.757 346 E CB 1.604 31.199 29.700 -0.174 0.000 1.147 346 E HN 0.291 nan 8.360 nan 0.000 0.414 347 F N 2.063 121.984 119.950 -0.048 0.000 2.300 347 F HA 0.084 4.610 4.527 -0.001 0.000 0.364 347 F C 1.628 177.465 175.800 0.061 0.000 1.090 347 F CA -0.524 57.474 58.000 -0.004 0.000 1.200 347 F CB 0.801 39.785 39.000 -0.027 0.000 1.493 347 F HN 0.425 nan 8.300 nan 0.000 0.518 348 S N 0.979 116.770 115.700 0.151 0.000 2.462 348 S HA -0.004 4.465 4.470 -0.001 0.000 0.243 348 S C 0.869 175.584 174.600 0.192 0.000 1.003 348 S CA 0.565 58.853 58.200 0.146 0.000 0.970 348 S CB -0.130 63.132 63.200 0.102 0.000 0.762 348 S HN 0.493 nan 8.310 nan 0.000 0.510 349 A N 0.302 123.278 122.820 0.260 0.000 2.522 349 A HA 0.810 5.129 4.320 -0.001 0.000 0.285 349 A C -0.202 177.618 177.584 0.393 0.000 1.198 349 A CA -0.142 52.060 52.037 0.275 0.000 0.742 349 A CB 0.972 20.096 19.000 0.206 0.000 1.176 349 A HN 0.956 nan 8.150 nan 0.000 0.444 350 A N 4.127 127.142 122.820 0.325 0.000 3.409 350 A HA 0.651 4.970 4.320 -0.001 0.000 0.282 350 A C -2.936 174.810 177.584 0.269 0.000 1.064 350 A CA -1.085 51.134 52.037 0.303 0.000 0.889 350 A CB 0.364 19.545 19.000 0.303 0.000 1.251 350 A HN 0.502 nan 8.150 nan 0.000 0.538 351 P HA 0.316 nan 4.420 nan 0.000 0.264 351 P C -0.760 176.568 177.300 0.046 0.000 1.193 351 P CA 0.584 63.641 63.100 -0.071 0.000 0.763 351 P CB 0.124 31.762 31.700 -0.103 0.000 0.810 352 F N 0.286 120.208 119.950 -0.046 0.000 2.577 352 F HA 0.797 5.324 4.527 -0.001 0.000 0.318 352 F C -0.382 175.345 175.800 -0.123 0.000 1.065 352 F CA -1.281 56.689 58.000 -0.049 0.000 0.929 352 F CB 1.628 40.482 39.000 -0.243 0.000 1.237 352 F HN 0.399 nan 8.300 nan 0.000 0.468 353 S N 0.131 115.932 115.700 0.169 0.000 2.556 353 S HA 0.948 5.418 4.470 -0.001 0.000 0.271 353 S C -0.764 173.802 174.600 -0.057 0.000 1.135 353 S CA -0.166 58.057 58.200 0.040 0.000 0.858 353 S CB 1.491 64.766 63.200 0.126 0.000 1.114 353 S HN 1.484 nan 8.310 nan 0.000 0.468 354 G N -0.029 108.690 108.800 -0.137 0.000 3.354 354 G HA2 0.726 4.685 3.960 -0.001 0.000 0.174 354 G HA3 0.726 4.685 3.960 -0.001 0.000 0.174 354 G C -1.751 173.144 174.900 -0.008 0.000 1.140 354 G CA -0.315 44.629 45.100 -0.261 0.000 0.897 354 G HN 1.208 nan 8.290 nan 0.000 0.685 355 W N -1.111 120.197 121.300 0.013 0.000 3.032 355 W HA 0.805 5.465 4.660 -0.001 0.000 0.335 355 W C -1.612 174.937 176.519 0.050 0.000 1.154 355 W CA -2.216 55.162 57.345 0.056 0.000 1.204 355 W CB 0.393 29.919 29.460 0.110 0.000 1.416 355 W HN 0.424 nan 8.180 nan 0.000 0.521 356 Y N 2.986 123.451 120.300 0.274 0.000 2.550 356 Y HA 0.171 4.721 4.550 -0.001 0.000 0.343 356 Y C 0.893 176.843 175.900 0.084 0.000 1.245 356 Y CA -0.223 57.934 58.100 0.095 0.000 1.462 356 Y CB 0.910 39.348 38.460 -0.037 0.000 1.340 356 Y HN 0.523 nan 8.280 nan 0.000 0.604 357 M N 2.368 122.114 119.600 0.244 0.000 2.129 357 M HA 0.201 4.681 4.480 -0.001 0.000 0.348 357 M C 1.057 177.346 176.300 -0.018 0.000 1.116 357 M CA -0.226 55.145 55.300 0.118 0.000 1.022 357 M CB 1.023 33.674 32.600 0.085 0.000 1.599 357 M HN 0.823 nan 8.290 nan 0.000 0.449 358 S N 1.462 117.108 115.700 -0.090 0.000 2.400 358 S HA -0.248 4.222 4.470 -0.001 0.000 0.234 358 S C 1.552 176.009 174.600 -0.238 0.000 1.049 358 S CA 2.376 60.446 58.200 -0.217 0.000 1.039 358 S CB -1.582 61.532 63.200 -0.143 0.000 0.856 358 S HN 0.932 nan 8.310 nan 0.000 0.465 359 T N 0.327 114.777 114.554 -0.175 0.000 2.881 359 T HA -0.084 4.265 4.350 -0.001 0.000 0.270 359 T C 1.570 176.119 174.700 -0.251 0.000 1.068 359 T CA 1.327 63.282 62.100 -0.242 0.000 1.131 359 T CB -0.638 68.059 68.868 -0.285 0.000 0.871 359 T HN 0.655 nan 8.240 nan 0.000 0.479 360 E N 0.952 121.022 120.200 -0.217 0.000 2.077 360 E HA -0.031 4.319 4.350 -0.001 0.000 0.193 360 E C 2.122 178.463 176.600 -0.432 0.000 0.989 360 E CA 1.358 57.631 56.400 -0.211 0.000 0.800 360 E CB -0.289 29.411 29.700 -0.000 0.000 0.746 360 E HN 0.604 nan 8.360 nan 0.000 0.452 361 I N 0.310 120.486 120.570 -0.657 0.000 2.270 361 I HA -0.038 4.132 4.170 -0.001 0.000 0.239 361 I C 2.507 178.259 176.117 -0.609 0.000 1.080 361 I CA 0.932 61.662 61.300 -0.949 0.000 1.383 361 I CB -0.447 36.867 38.000 -1.143 0.000 1.097 361 I HN 0.075 nan 8.210 nan 0.000 0.420 362 G N -0.204 108.346 108.800 -0.418 0.000 2.679 362 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.212 362 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.212 362 G C 1.351 176.134 174.900 -0.194 0.000 1.137 362 G CA 1.163 46.113 45.100 -0.250 0.000 0.787 362 G HN 0.323 nan 8.290 nan 0.000 0.534 363 T N -1.080 113.334 114.554 -0.233 0.000 3.176 363 T HA 0.143 4.492 4.350 -0.001 0.000 0.259 363 T C 2.344 176.936 174.700 -0.180 0.000 0.978 363 T CA -0.193 61.795 62.100 -0.187 0.000 1.050 363 T CB 0.345 69.087 68.868 -0.210 0.000 1.136 363 T HN -0.006 nan 8.240 nan 0.000 0.465 364 R N 2.176 122.549 120.500 -0.212 0.000 2.048 364 R HA 0.236 4.575 4.340 -0.001 0.000 0.224 364 R C 2.086 178.278 176.300 -0.179 0.000 1.163 364 R CA 0.946 56.934 56.100 -0.186 0.000 0.956 364 R CB -1.138 29.062 30.300 -0.166 0.000 0.849 364 R HN 0.281 nan 8.270 nan 0.000 0.435 365 N N 1.130 119.677 118.700 -0.254 0.000 2.104 365 N HA -0.111 4.628 4.740 -0.001 0.000 0.190 365 N C 1.923 177.378 175.510 -0.092 0.000 1.024 365 N CA 1.161 54.069 53.050 -0.238 0.000 0.853 365 N CB -0.182 37.817 38.487 -0.813 0.000 1.008 365 N HN 0.193 nan 8.380 nan 0.000 0.424 366 L N -0.809 120.300 121.223 -0.189 0.000 2.354 366 L HA 0.104 4.443 4.340 -0.001 0.000 0.212 366 L C 1.416 178.313 176.870 0.045 0.000 1.091 366 L CA 0.305 55.130 54.840 -0.024 0.000 0.828 366 L CB 0.256 42.270 42.059 -0.075 0.000 0.973 366 L HN 0.149 nan 8.230 nan 0.000 0.461 367 C N -1.502 117.782 119.300 -0.027 0.000 3.019 367 C HA 0.162 4.622 4.460 -0.001 0.000 0.295 367 C C 0.696 175.661 174.990 -0.043 0.000 1.256 367 C CA -0.890 58.121 59.018 -0.011 0.000 1.706 367 C CB -0.280 27.441 27.740 -0.032 0.000 2.153 367 C HN 0.299 nan 8.230 nan 0.000 0.618 368 D N 2.451 122.785 120.400 -0.110 0.000 2.488 368 D HA 0.074 4.713 4.640 -0.001 0.000 0.238 368 D C -1.439 174.776 176.300 -0.142 0.000 1.138 368 D CA -0.853 53.025 54.000 -0.203 0.000 0.873 368 D CB 0.571 41.077 40.800 -0.490 0.000 1.183 368 D HN 0.137 nan 8.370 nan 0.000 0.458 369 P HA -0.168 nan 4.420 nan 0.000 0.216 369 P C 0.755 178.114 177.300 0.099 0.000 1.153 369 P CA 1.284 64.438 63.100 0.090 0.000 0.858 369 P CB -0.010 31.789 31.700 0.165 0.000 0.789 370 H N -2.670 116.411 119.070 0.019 0.000 2.533 370 H HA 0.300 4.855 4.556 -0.001 0.000 0.271 370 H C 1.003 176.338 175.328 0.013 0.000 1.000 370 H CA 0.163 56.218 56.048 0.013 0.000 1.149 370 H CB -0.111 29.659 29.762 0.012 0.000 1.375 370 H HN 0.021 nan 8.280 nan 0.000 0.582 371 R N -0.051 120.358 120.500 -0.152 0.000 3.006 371 R HA 0.165 4.505 4.340 -0.001 0.000 0.150 371 R C 1.212 177.480 176.300 -0.053 0.000 1.285 371 R CA -0.736 55.320 56.100 -0.072 0.000 0.813 371 R CB -0.882 29.404 30.300 -0.024 0.000 1.582 371 R HN 0.097 nan 8.270 nan 0.000 0.441 372 Y N 1.573 121.894 120.300 0.034 0.000 2.483 372 Y HA -0.134 4.416 4.550 -0.001 0.000 0.291 372 Y C 0.688 176.615 175.900 0.044 0.000 1.143 372 Y CA 1.073 59.208 58.100 0.059 0.000 1.289 372 Y CB -0.530 38.007 38.460 0.127 0.000 0.983 372 Y HN 0.510 nan 8.280 nan 0.000 0.556 373 N N 0.654 119.432 118.700 0.131 0.000 2.678 373 N HA -0.234 4.505 4.740 -0.001 0.000 0.268 373 N C 0.415 176.003 175.510 0.129 0.000 1.010 373 N CA 0.828 53.937 53.050 0.098 0.000 0.784 373 N CB -1.173 37.354 38.487 0.066 0.000 0.905 373 N HN 0.664 nan 8.380 nan 0.000 0.552 374 I N -3.246 117.416 120.570 0.152 0.000 3.968 374 I HA 0.099 4.269 4.170 -0.001 0.000 0.328 374 I C 1.423 177.642 176.117 0.171 0.000 1.290 374 I CA -0.408 60.985 61.300 0.155 0.000 1.163 374 I CB -0.062 38.036 38.000 0.163 0.000 1.024 374 I HN 0.087 nan 8.210 nan 0.000 0.413 375 L N 1.940 123.277 121.223 0.191 0.000 2.010 375 L HA -0.291 4.049 4.340 -0.001 0.000 0.219 375 L C 2.625 179.717 176.870 0.370 0.000 1.077 375 L CA 2.236 57.236 54.840 0.267 0.000 0.773 375 L CB -1.153 41.043 42.059 0.229 0.000 0.892 375 L HN 0.490 nan 8.230 nan 0.000 0.436 376 E N -1.052 119.347 120.200 0.333 0.000 2.077 376 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 376 E C 1.762 178.380 176.600 0.030 0.000 0.989 376 E CA 1.310 57.797 56.400 0.145 0.000 0.800 376 E CB 0.063 29.805 29.700 0.069 0.000 0.746 376 E HN 0.494 nan 8.360 nan 0.000 0.452 377 D N -0.200 120.233 120.400 0.055 0.000 2.104 377 D HA -0.164 4.476 4.640 -0.001 0.000 0.194 377 D C 1.980 178.275 176.300 -0.007 0.000 0.994 377 D CA 1.194 55.198 54.000 0.006 0.000 0.830 377 D CB -0.240 40.581 40.800 0.034 0.000 0.959 377 D HN 0.087 nan 8.370 nan 0.000 0.452 378 V N 0.901 120.873 119.914 0.096 0.000 2.427 378 V HA -0.159 3.960 4.120 -0.001 0.000 0.248 378 V C 2.403 178.566 176.094 0.114 0.000 1.051 378 V CA 1.601 64.004 62.300 0.171 0.000 1.048 378 V CB -0.753 31.279 31.823 0.349 0.000 0.666 378 V HN 0.196 nan 8.190 nan 0.000 0.456 379 A N -0.404 122.501 122.820 0.141 0.000 1.972 379 A HA -0.030 4.289 4.320 -0.001 0.000 0.219 379 A C 1.519 179.056 177.584 -0.079 0.000 1.169 379 A CA 0.998 53.103 52.037 0.114 0.000 0.635 379 A CB -0.421 18.705 19.000 0.210 0.000 0.810 379 A HN 0.315 nan 8.150 nan 0.000 0.446 383 D N 2.409 122.734 120.400 -0.125 0.000 2.746 383 D HA -0.140 4.499 4.640 -0.001 0.000 0.241 383 D C -1.307 174.958 176.300 -0.058 0.000 1.140 383 D CA 0.758 54.700 54.000 -0.097 0.000 0.707 383 D CB -0.563 40.194 40.800 -0.073 0.000 1.034 383 D HN 0.381 nan 8.370 nan 0.000 0.423 384 L N 0.235 121.418 121.223 -0.067 0.000 2.334 384 L HA 0.417 4.756 4.340 -0.001 0.000 0.272 384 L C 0.751 177.554 176.870 -0.111 0.000 1.020 384 L CA -1.080 53.743 54.840 -0.028 0.000 0.812 384 L CB 1.212 43.309 42.059 0.064 0.000 1.264 384 L HN -0.041 nan 8.230 nan 0.000 0.439 385 D N 0.727 121.091 120.400 -0.060 0.000 2.455 385 D HA -0.005 4.635 4.640 -0.001 0.000 0.234 385 D C 1.118 177.264 176.300 -0.256 0.000 1.224 385 D CA -0.118 53.819 54.000 -0.105 0.000 0.999 385 D CB 0.601 41.392 40.800 -0.014 0.000 1.072 385 D HN 0.596 nan 8.370 nan 0.000 0.514 386 T N 0.433 114.664 114.554 -0.538 0.000 3.215 386 T HA 0.052 4.402 4.350 -0.001 0.000 0.254 386 T C 1.480 175.876 174.700 -0.507 0.000 1.149 386 T CA 0.110 61.542 62.100 -1.115 0.000 1.042 386 T CB -0.037 68.113 68.868 -1.196 0.000 0.966 386 T HN 0.244 nan 8.240 nan 0.000 0.534 387 R N 0.300 120.672 120.500 -0.213 0.000 2.297 387 R HA 0.221 4.560 4.340 -0.001 0.000 0.197 387 R C 0.568 176.895 176.300 0.046 0.000 0.943 387 R CA 0.287 56.347 56.100 -0.066 0.000 1.038 387 R CB 0.392 30.657 30.300 -0.058 0.000 0.957 387 R HN 0.342 nan 8.270 nan 0.000 0.484 388 T N -1.430 113.199 114.554 0.126 0.000 2.956 388 T HA 0.094 4.443 4.350 -0.001 0.000 0.312 388 T C 1.095 175.973 174.700 0.297 0.000 1.151 388 T CA -0.573 61.632 62.100 0.174 0.000 1.024 388 T CB 1.746 70.678 68.868 0.107 0.000 1.140 388 T HN 0.172 nan 8.240 nan 0.000 0.473 389 T N 0.576 115.250 114.554 0.199 0.000 2.821 389 T HA -0.075 4.274 4.350 -0.001 0.000 0.267 389 T C 2.094 176.840 174.700 0.078 0.000 1.046 389 T CA 1.617 63.788 62.100 0.119 0.000 1.139 389 T CB -0.694 68.199 68.868 0.042 0.000 0.871 389 T HN 0.727 nan 8.240 nan 0.000 0.454 390 S N 1.959 117.708 115.700 0.082 0.000 2.584 390 S HA -0.024 4.445 4.470 -0.001 0.000 0.240 390 S C 1.876 176.522 174.600 0.076 0.000 0.975 390 S CA 0.674 58.910 58.200 0.059 0.000 0.949 390 S CB -0.938 62.290 63.200 0.048 0.000 0.761 390 S HN 0.752 nan 8.310 nan 0.000 0.536 391 S N 0.927 116.706 115.700 0.132 0.000 2.556 391 S HA 0.330 4.800 4.470 -0.001 0.000 0.216 391 S C 0.839 175.526 174.600 0.144 0.000 0.970 391 S CA -0.203 58.086 58.200 0.149 0.000 0.912 391 S CB -0.878 62.444 63.200 0.202 0.000 0.790 391 S HN 0.568 nan 8.310 nan 0.000 0.504 392 L N 1.336 122.603 121.223 0.073 0.000 3.858 392 L HA -0.203 4.137 4.340 -0.001 0.000 0.425 392 L C 1.795 178.681 176.870 0.027 0.000 1.177 392 L CA 0.826 55.659 54.840 -0.012 0.000 0.943 392 L CB -2.181 39.880 42.059 0.002 0.000 1.861 392 L HN 0.756 nan 8.230 nan 0.000 0.985 393 W N -0.059 121.252 121.300 0.018 0.000 2.363 393 W HA -0.156 4.504 4.660 -0.001 0.000 0.296 393 W C 1.758 178.294 176.519 0.029 0.000 1.212 393 W CA 1.294 58.653 57.345 0.023 0.000 1.260 393 W CB -0.693 28.777 29.460 0.016 0.000 1.131 393 W HN 0.254 nan 8.180 nan 0.000 0.530 394 K N 1.068 121.044 120.400 -0.708 0.000 2.097 394 K HA -0.162 4.157 4.320 -0.001 0.000 0.206 394 K C 1.518 177.978 176.600 -0.234 0.000 1.049 394 K CA 2.391 58.275 56.287 -0.672 0.000 0.933 394 K CB -0.313 31.626 32.500 -0.935 0.000 0.717 394 K HN 0.134 nan 8.250 nan 0.000 0.442 395 D N 0.441 120.733 120.400 -0.180 0.000 2.117 395 D HA -0.104 4.536 4.640 -0.001 0.000 0.198 395 D C 1.659 177.955 176.300 -0.006 0.000 0.982 395 D CA 1.051 55.001 54.000 -0.083 0.000 0.828 395 D CB 0.089 40.846 40.800 -0.071 0.000 0.967 395 D HN 0.081 nan 8.370 nan 0.000 0.464 396 K N 0.561 120.985 120.400 0.039 0.000 2.097 396 K HA -0.038 4.282 4.320 -0.001 0.000 0.206 396 K C 2.155 178.827 176.600 0.120 0.000 1.049 396 K CA 1.061 57.400 56.287 0.087 0.000 0.933 396 K CB -0.093 32.480 32.500 0.121 0.000 0.717 396 K HN 0.092 nan 8.250 nan 0.000 0.442 397 A N 1.508 124.419 122.820 0.151 0.000 1.872 397 A HA -0.043 4.276 4.320 -0.001 0.000 0.214 397 A C 2.384 180.059 177.584 0.152 0.000 1.187 397 A CA 1.608 53.766 52.037 0.201 0.000 0.614 397 A CB -0.615 18.548 19.000 0.272 0.000 0.826 397 A HN 0.303 nan 8.150 nan 0.000 0.442 398 A N -0.540 122.325 122.820 0.074 0.000 1.933 398 A HA -0.006 4.313 4.320 -0.001 0.000 0.218 398 A C 2.227 179.823 177.584 0.020 0.000 1.175 398 A CA 1.788 53.842 52.037 0.028 0.000 0.628 398 A CB -0.891 18.087 19.000 -0.037 0.000 0.814 398 A HN 0.359 nan 8.150 nan 0.000 0.444 399 V N 0.268 120.201 119.914 0.031 0.000 2.295 399 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 399 V C 2.573 178.693 176.094 0.044 0.000 1.049 399 V CA 2.158 64.478 62.300 0.033 0.000 1.024 399 V CB -0.670 31.182 31.823 0.048 0.000 0.648 399 V HN 0.512 nan 8.190 nan 0.000 0.447 400 E N -0.061 120.193 120.200 0.089 0.000 2.110 400 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 400 E C 2.083 178.692 176.600 0.016 0.000 0.988 400 E CA 1.268 57.739 56.400 0.118 0.000 0.804 400 E CB -0.336 29.459 29.700 0.159 0.000 0.745 400 E HN 0.592 nan 8.360 nan 0.000 0.458 401 I N 1.363 121.972 120.570 0.065 0.000 2.252 401 I HA -0.239 3.931 4.170 -0.001 0.000 0.245 401 I C 2.112 178.190 176.117 -0.064 0.000 1.102 401 I CA 0.780 62.115 61.300 0.058 0.000 1.385 401 I CB -0.287 37.824 38.000 0.185 0.000 1.064 401 I HN 0.063 nan 8.210 nan 0.000 0.414 402 N N 0.771 119.435 118.700 -0.060 0.000 2.166 402 N HA -0.167 4.573 4.740 -0.001 0.000 0.186 402 N C 1.916 177.364 175.510 -0.103 0.000 1.019 402 N CA 1.195 54.190 53.050 -0.092 0.000 0.856 402 N CB -0.176 38.265 38.487 -0.076 0.000 0.993 402 N HN 0.207 nan 8.380 nan 0.000 0.426 403 L N 1.501 122.655 121.223 -0.114 0.000 2.046 403 L HA -0.043 4.296 4.340 -0.001 0.000 0.208 403 L C 2.235 178.948 176.870 -0.262 0.000 1.077 403 L CA 1.446 56.184 54.840 -0.169 0.000 0.747 403 L CB -0.761 41.175 42.059 -0.206 0.000 0.896 403 L HN 0.062 nan 8.230 nan 0.000 0.432 404 A N -1.205 121.383 122.820 -0.387 0.000 1.908 404 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 404 A C 2.272 179.766 177.584 -0.151 0.000 1.181 404 A CA 2.006 53.774 52.037 -0.449 0.000 0.627 404 A CB -1.097 17.313 19.000 -0.984 0.000 0.818 404 A HN 0.306 nan 8.150 nan 0.000 0.445 405 V N -0.184 119.662 119.914 -0.114 0.000 2.295 405 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 405 V C 2.571 178.662 176.094 -0.006 0.000 1.049 405 V CA 2.032 64.308 62.300 -0.039 0.000 1.024 405 V CB -0.720 31.004 31.823 -0.166 0.000 0.648 405 V HN 0.566 nan 8.190 nan 0.000 0.447 406 L N -0.571 120.616 121.223 -0.061 0.000 2.046 406 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 406 L C 2.595 179.482 176.870 0.030 0.000 1.077 406 L CA 2.064 56.887 54.840 -0.028 0.000 0.747 406 L CB -0.749 41.290 42.059 -0.034 0.000 0.896 406 L HN 0.485 nan 8.230 nan 0.000 0.432 407 H N -0.767 118.251 119.070 -0.087 0.000 2.353 407 H HA -0.124 4.431 4.556 -0.001 0.000 0.300 407 H C 2.303 177.614 175.328 -0.027 0.000 1.090 407 H CA 1.873 57.865 56.048 -0.093 0.000 1.327 407 H CB 0.083 29.724 29.762 -0.202 0.000 1.383 407 H HN 0.146 nan 8.280 nan 0.000 0.508 408 S N -0.486 115.163 115.700 -0.085 0.000 2.368 408 S HA -0.073 4.397 4.470 -0.001 0.000 0.224 408 S C 1.800 176.380 174.600 -0.034 0.000 1.029 408 S CA 1.085 59.233 58.200 -0.087 0.000 0.988 408 S CB -0.358 62.885 63.200 0.072 0.000 0.838 408 S HN 0.319 nan 8.310 nan 0.000 0.462 409 F N 2.059 121.944 119.950 -0.108 0.000 2.113 409 F HA -0.063 4.464 4.527 -0.001 0.000 0.297 409 F C 2.639 178.381 175.800 -0.097 0.000 1.103 409 F CA 1.048 59.007 58.000 -0.068 0.000 1.248 409 F CB -0.765 38.218 39.000 -0.027 0.000 0.999 409 F HN 0.197 nan 8.300 nan 0.000 0.475 410 Q N -0.555 119.285 119.800 0.068 0.000 2.170 410 Q HA -0.209 4.130 4.340 -0.001 0.000 0.203 410 Q C 2.163 178.103 176.000 -0.099 0.000 0.976 410 Q CA 1.363 57.153 55.803 -0.021 0.000 0.858 410 Q CB -0.447 28.273 28.738 -0.031 0.000 0.907 410 Q HN 0.347 nan 8.270 nan 0.000 0.433 411 L N 0.132 121.235 121.223 -0.199 0.000 2.093 411 L HA -0.003 4.336 4.340 -0.001 0.000 0.208 411 L C 1.823 178.603 176.870 -0.150 0.000 1.085 411 L CA 1.920 56.623 54.840 -0.230 0.000 0.755 411 L CB -0.514 41.303 42.059 -0.403 0.000 0.904 411 L HN 0.064 nan 8.230 nan 0.000 0.435 412 A N -1.217 121.514 122.820 -0.150 0.000 2.251 412 A HA 0.093 4.412 4.320 -0.001 0.000 0.209 412 A C 1.053 178.570 177.584 -0.112 0.000 1.187 412 A CA 0.166 52.117 52.037 -0.143 0.000 0.823 412 A CB -0.473 18.398 19.000 -0.215 0.000 0.846 412 A HN 0.473 nan 8.150 nan 0.000 0.486 413 K N -1.007 119.343 120.400 -0.083 0.000 3.096 413 K HA -0.122 4.198 4.320 -0.001 0.000 0.266 413 K C -0.829 175.744 176.600 -0.045 0.000 1.043 413 K CA 0.650 56.903 56.287 -0.057 0.000 0.758 413 K CB -1.987 30.480 32.500 -0.056 0.000 1.260 413 K HN 0.249 nan 8.250 nan 0.000 0.481 414 V N 1.341 121.239 119.914 -0.025 0.000 2.417 414 V HA 0.141 4.261 4.120 -0.001 0.000 0.291 414 V C 0.735 176.945 176.094 0.193 0.000 1.024 414 V CA -0.666 61.653 62.300 0.032 0.000 0.861 414 V CB 1.894 33.626 31.823 -0.152 0.000 0.985 414 V HN 0.235 nan 8.190 nan 0.000 0.436 415 T N 6.531 121.151 114.554 0.110 0.000 2.933 415 T HA 0.381 4.730 4.350 -0.001 0.000 0.306 415 T C -0.215 174.574 174.700 0.148 0.000 1.045 415 T CA 0.882 62.980 62.100 -0.003 0.000 1.143 415 T CB 0.119 68.852 68.868 -0.226 0.000 1.003 415 T HN 0.585 nan 8.240 nan 0.000 0.540 416 I N 1.969 122.545 120.570 0.011 0.000 2.842 416 I HA 0.541 4.710 4.170 -0.001 0.000 0.296 416 I C -1.709 174.428 176.117 0.034 0.000 1.538 416 I CA -0.906 60.428 61.300 0.057 0.000 0.994 416 I CB 1.834 39.768 38.000 -0.110 0.000 1.372 416 I HN 0.462 nan 8.210 nan 0.000 0.478 417 V N 5.201 125.196 119.914 0.136 0.000 2.709 417 V HA 0.489 4.608 4.120 -0.001 0.000 0.308 417 V C -1.149 174.998 176.094 0.088 0.000 1.062 417 V CA -0.263 62.117 62.300 0.133 0.000 0.901 417 V CB 2.197 34.189 31.823 0.281 0.000 1.003 417 V HN 0.859 nan 8.190 nan 0.000 0.425 418 D N 4.108 124.540 120.400 0.052 0.000 2.329 418 D HA 0.184 4.823 4.640 -0.001 0.000 0.246 418 D C 1.272 177.579 176.300 0.010 0.000 1.111 418 D CA 0.186 54.207 54.000 0.035 0.000 0.941 418 D CB 0.535 41.333 40.800 -0.004 0.000 1.169 418 D HN 0.736 nan 8.370 nan 0.000 0.441 419 H N 0.252 119.254 119.070 -0.114 0.000 2.489 419 H HA -0.145 4.411 4.556 -0.001 0.000 0.293 419 H C 0.813 176.035 175.328 -0.177 0.000 1.066 419 H CA 1.310 57.253 56.048 -0.175 0.000 1.305 419 H CB -0.492 29.108 29.762 -0.269 0.000 1.386 419 H HN 0.532 nan 8.280 nan 0.000 0.551 420 H N 0.915 119.779 119.070 -0.343 0.000 2.343 420 H HA 0.199 4.754 4.556 -0.001 0.000 0.303 420 H C 2.496 177.797 175.328 -0.045 0.000 1.068 420 H CA 1.209 57.144 56.048 -0.188 0.000 1.359 420 H CB -0.185 29.434 29.762 -0.238 0.000 1.402 420 H HN 0.506 nan 8.280 nan 0.000 0.515 421 A N 1.455 124.326 122.820 0.085 0.000 1.898 421 A HA -0.063 4.257 4.320 -0.001 0.000 0.216 421 A C 2.683 180.338 177.584 0.119 0.000 1.181 421 A CA 1.670 53.762 52.037 0.092 0.000 0.620 421 A CB -0.810 18.235 19.000 0.076 0.000 0.819 421 A HN 0.413 nan 8.150 nan 0.000 0.442 422 A N -0.066 122.825 122.820 0.118 0.000 1.865 422 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 422 A C 2.478 180.166 177.584 0.172 0.000 1.191 422 A CA 2.822 54.950 52.037 0.152 0.000 0.623 422 A CB -1.563 17.513 19.000 0.127 0.000 0.826 422 A HN 0.780 nan 8.150 nan 0.000 0.444 423 T N -2.564 112.071 114.554 0.134 0.000 2.788 423 T HA -0.094 4.255 4.350 -0.001 0.000 0.268 423 T C 1.699 176.532 174.700 0.223 0.000 1.044 423 T CA 1.427 63.631 62.100 0.172 0.000 1.139 423 T CB -0.768 68.164 68.868 0.107 0.000 0.867 423 T HN 0.054 nan 8.240 nan 0.000 0.454 424 V N 2.683 122.699 119.914 0.171 0.000 2.295 424 V HA -0.164 3.955 4.120 -0.001 0.000 0.246 424 V C 3.186 179.372 176.094 0.154 0.000 1.049 424 V CA 2.189 64.579 62.300 0.150 0.000 1.024 424 V CB -0.912 30.979 31.823 0.114 0.000 0.648 424 V HN 0.796 nan 8.190 nan 0.000 0.447 425 S N -0.582 115.216 115.700 0.164 0.000 2.474 425 S HA -0.198 4.271 4.470 -0.001 0.000 0.235 425 S C 1.898 176.616 174.600 0.197 0.000 0.997 425 S CA 1.476 59.771 58.200 0.159 0.000 0.949 425 S CB -0.706 62.592 63.200 0.163 0.000 0.766 425 S HN 0.591 nan 8.310 nan 0.000 0.517 426 F N 1.581 121.598 119.950 0.113 0.000 2.293 426 F HA 0.182 4.708 4.527 -0.001 0.000 0.297 426 F C 2.163 178.055 175.800 0.152 0.000 1.089 426 F CA 0.893 58.974 58.000 0.136 0.000 1.377 426 F CB -0.141 38.919 39.000 0.100 0.000 1.051 426 F HN 0.120 nan 8.300 nan 0.000 0.511 427 M N 0.295 119.949 119.600 0.091 0.000 2.175 427 M HA -0.136 4.343 4.480 -0.001 0.000 0.264 427 M C 2.148 178.409 176.300 -0.066 0.000 1.063 427 M CA 1.350 56.651 55.300 0.003 0.000 1.119 427 M CB -1.092 31.569 32.600 0.102 0.000 1.377 427 M HN 0.085 nan 8.290 nan 0.000 0.415 428 K N 0.036 120.432 120.400 -0.006 0.000 2.057 428 K HA -0.208 4.111 4.320 -0.001 0.000 0.207 428 K C 1.957 178.531 176.600 -0.044 0.000 1.049 428 K CA 1.811 58.095 56.287 -0.005 0.000 0.931 428 K CB -0.736 31.788 32.500 0.040 0.000 0.714 428 K HN 0.357 nan 8.250 nan 0.000 0.440 429 H N 0.067 119.037 119.070 -0.165 0.000 2.387 429 H HA -0.040 4.515 4.556 -0.001 0.000 0.299 429 H C 1.692 176.851 175.328 -0.282 0.000 1.099 429 H CA 2.188 58.112 56.048 -0.208 0.000 1.315 429 H CB -0.184 29.417 29.762 -0.268 0.000 1.380 429 H HN 0.201 nan 8.280 nan 0.000 0.513 430 L N -0.167 120.738 121.223 -0.530 0.000 2.017 430 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 430 L C 2.208 178.906 176.870 -0.288 0.000 1.073 430 L CA 1.492 56.052 54.840 -0.467 0.000 0.745 430 L CB -0.395 41.464 42.059 -0.333 0.000 0.894 430 L HN 0.323 nan 8.230 nan 0.000 0.432 431 D N -0.039 120.249 120.400 -0.187 0.000 2.104 431 D HA -0.179 4.460 4.640 -0.001 0.000 0.194 431 D C 1.954 178.180 176.300 -0.125 0.000 0.994 431 D CA 1.117 55.047 54.000 -0.117 0.000 0.830 431 D CB -0.434 40.325 40.800 -0.069 0.000 0.959 431 D HN 0.263 nan 8.370 nan 0.000 0.452 432 N N 1.054 119.673 118.700 -0.135 0.000 2.036 432 N HA -0.155 4.585 4.740 -0.001 0.000 0.195 432 N C 1.604 177.033 175.510 -0.134 0.000 1.037 432 N CA 0.892 53.884 53.050 -0.096 0.000 0.855 432 N CB -0.315 38.151 38.487 -0.034 0.000 1.033 432 N HN 0.268 nan 8.380 nan 0.000 0.423 433 E N 0.750 120.785 120.200 -0.275 0.000 2.204 433 E HA -0.171 4.179 4.350 -0.001 0.000 0.195 433 E C 1.895 178.393 176.600 -0.170 0.000 0.990 433 E CA 0.618 56.854 56.400 -0.274 0.000 0.821 433 E CB -0.107 29.312 29.700 -0.468 0.000 0.750 433 E HN 0.378 nan 8.360 nan 0.000 0.477 434 Q N 1.010 120.721 119.800 -0.148 0.000 2.079 434 Q HA -0.110 4.230 4.340 -0.001 0.000 0.200 434 Q C 1.707 177.662 176.000 -0.075 0.000 0.974 434 Q CA 1.376 57.121 55.803 -0.096 0.000 0.840 434 Q CB 0.155 28.845 28.738 -0.081 0.000 0.898 434 Q HN -0.029 nan 8.270 nan 0.000 0.430 435 K N -0.471 119.888 120.400 -0.068 0.000 2.167 435 K HA 0.109 4.429 4.320 -0.001 0.000 0.203 435 K C 1.796 178.369 176.600 -0.044 0.000 1.052 435 K CA 1.098 57.356 56.287 -0.049 0.000 0.956 435 K CB -0.350 32.127 32.500 -0.038 0.000 0.735 435 K HN 0.248 nan 8.250 nan 0.000 0.451 436 A N 1.298 124.090 122.820 -0.047 0.000 1.943 436 A HA 0.024 4.344 4.320 -0.001 0.000 0.213 436 A C 1.714 179.271 177.584 -0.045 0.000 1.181 436 A CA 0.669 52.688 52.037 -0.030 0.000 0.653 436 A CB 0.108 19.107 19.000 -0.002 0.000 0.833 436 A HN 0.209 nan 8.150 nan 0.000 0.451 437 R N -2.039 118.421 120.500 -0.068 0.000 2.541 437 R HA 0.260 4.599 4.340 -0.001 0.000 0.332 437 R C 0.678 176.938 176.300 -0.067 0.000 0.951 437 R CA 0.400 56.461 56.100 -0.064 0.000 1.136 437 R CB 0.567 30.823 30.300 -0.073 0.000 1.449 437 R HN 0.619 nan 8.270 nan 0.000 0.531 438 G N 1.285 110.040 108.800 -0.075 0.000 2.272 438 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.280 438 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.280 438 G C 0.237 175.104 174.900 -0.055 0.000 1.067 438 G CA 0.299 45.350 45.100 -0.081 0.000 0.902 438 G HN 0.736 nan 8.290 nan 0.000 0.500 439 G N -2.452 106.325 108.800 -0.039 0.000 2.361 439 G HA2 0.521 4.481 3.960 -0.001 0.000 0.305 439 G HA3 0.521 4.481 3.960 -0.001 0.000 0.305 439 G C -0.648 174.262 174.900 0.016 0.000 1.367 439 G CA 0.350 45.464 45.100 0.023 0.000 0.951 439 G HN 2.094 nan 8.290 nan 0.000 0.615 440 C N 2.079 121.419 119.300 0.066 0.000 2.817 440 C HA 0.707 5.167 4.460 -0.001 0.000 0.385 440 C C -2.537 172.404 174.990 -0.082 0.000 1.050 440 C CA -1.072 57.931 59.018 -0.024 0.000 1.245 440 C CB 1.336 29.004 27.740 -0.120 0.000 1.706 440 C HN 0.756 nan 8.230 nan 0.000 0.488 441 P HA 0.394 nan 4.420 nan 0.000 0.271 441 P C -0.671 176.488 177.300 -0.235 0.000 1.226 441 P CA 0.572 63.237 63.100 -0.726 0.000 0.765 441 P CB 1.058 32.143 31.700 -1.024 0.000 0.835 442 A N 2.839 125.589 122.820 -0.117 0.000 2.427 442 A HA 0.389 4.709 4.320 -0.001 0.000 0.298 442 A C -0.864 176.744 177.584 0.040 0.000 1.036 442 A CA -0.567 51.494 52.037 0.041 0.000 0.701 442 A CB 1.237 20.373 19.000 0.226 0.000 1.250 442 A HN 0.454 nan 8.150 nan 0.000 0.412 443 D N 2.314 122.726 120.400 0.021 0.000 2.485 443 D HA 0.104 4.744 4.640 -0.001 0.000 0.221 443 D C 0.921 177.335 176.300 0.190 0.000 1.112 443 D CA -0.512 53.533 54.000 0.075 0.000 0.911 443 D CB 0.217 40.978 40.800 -0.064 0.000 1.019 443 D HN 0.609 nan 8.370 nan 0.000 0.516 444 W N 4.264 125.589 121.300 0.042 0.000 2.280 444 W HA -0.392 4.267 4.660 -0.001 0.000 0.332 444 W C 1.995 178.540 176.519 0.043 0.000 1.300 444 W CA 2.908 60.264 57.345 0.018 0.000 1.274 444 W CB -0.203 29.243 29.460 -0.024 0.000 1.141 444 W HN 0.544 nan 8.180 nan 0.000 0.474 445 A N -1.722 121.384 122.820 0.476 0.000 2.186 445 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 445 A C 1.264 178.907 177.584 0.098 0.000 1.159 445 A CA 1.608 53.835 52.037 0.316 0.000 0.680 445 A CB -1.099 18.134 19.000 0.388 0.000 0.787 445 A HN 0.576 nan 8.150 nan 0.000 0.467 446 W N -1.619 119.626 121.300 -0.091 0.000 2.842 446 W HA 0.278 4.938 4.660 -0.001 0.000 0.267 446 W C 1.657 178.043 176.519 -0.222 0.000 1.219 446 W CA -0.351 56.923 57.345 -0.117 0.000 1.458 446 W CB 0.032 29.454 29.460 -0.064 0.000 1.006 446 W HN 0.096 nan 8.180 nan 0.000 0.603 447 I N 0.017 120.522 120.570 -0.108 0.000 2.500 447 I HA -0.046 4.124 4.170 -0.001 0.000 0.252 447 I C 0.652 176.547 176.117 -0.370 0.000 1.142 447 I CA 0.814 61.911 61.300 -0.339 0.000 1.451 447 I CB -1.392 36.328 38.000 -0.468 0.000 1.093 447 I HN -0.407 nan 8.210 nan 0.000 0.430 448 V N 4.913 124.535 119.914 -0.487 0.000 2.508 448 V HA 0.123 4.242 4.120 -0.001 0.000 0.281 448 V C -1.734 174.183 176.094 -0.296 0.000 1.041 448 V CA -1.180 60.831 62.300 -0.481 0.000 1.016 448 V CB 0.532 31.829 31.823 -0.876 0.000 0.984 448 V HN 0.152 nan 8.190 nan 0.000 0.478 449 P HA 0.135 nan 4.420 nan 0.000 0.269 449 P C -2.025 175.149 177.300 -0.209 0.000 1.215 449 P CA -1.360 61.622 63.100 -0.196 0.000 0.780 449 P CB 0.239 31.840 31.700 -0.165 0.000 0.898 450 P HA -0.045 nan 4.420 nan 0.000 0.228 450 P C 0.532 177.716 177.300 -0.194 0.000 1.151 450 P CA 1.290 64.268 63.100 -0.203 0.000 0.770 450 P CB 0.010 31.582 31.700 -0.212 0.000 0.786 451 I N -7.014 113.402 120.570 -0.257 0.000 2.934 451 I HA 0.443 4.613 4.170 -0.001 0.000 0.306 451 I C -0.061 175.935 176.117 -0.201 0.000 1.110 451 I CA -1.296 59.865 61.300 -0.232 0.000 1.019 451 I CB 1.969 39.795 38.000 -0.289 0.000 1.227 451 I HN -0.400 nan 8.210 nan 0.000 0.434 452 S N 2.005 117.648 115.700 -0.094 0.000 3.521 452 S HA -0.206 4.263 4.470 -0.001 0.000 0.362 452 S C 1.372 175.959 174.600 -0.023 0.000 1.044 452 S CA 0.788 58.980 58.200 -0.012 0.000 1.091 452 S CB -1.841 61.431 63.200 0.121 0.000 0.908 452 S HN 1.283 nan 8.310 nan 0.000 0.473 453 G N 2.521 111.289 108.800 -0.054 0.000 2.672 453 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.218 453 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.218 453 G C 1.497 176.330 174.900 -0.111 0.000 1.238 453 G CA 1.677 46.773 45.100 -0.007 0.000 0.791 453 G HN 1.312 nan 8.290 nan 0.000 0.606 454 S N 0.356 115.716 115.700 -0.567 0.000 2.507 454 S HA 0.137 4.607 4.470 -0.001 0.000 0.235 454 S C 2.097 176.585 174.600 -0.186 0.000 0.988 454 S CA 0.780 58.443 58.200 -0.895 0.000 0.944 454 S CB -0.212 62.285 63.200 -1.172 0.000 0.762 454 S HN 0.317 nan 8.310 nan 0.000 0.526 455 L N 1.162 122.358 121.223 -0.045 0.000 2.610 455 L HA 0.154 4.494 4.340 -0.001 0.000 0.232 455 L C 0.547 177.525 176.870 0.180 0.000 1.149 455 L CA 0.216 55.115 54.840 0.099 0.000 0.872 455 L CB -0.653 41.496 42.059 0.150 0.000 0.992 455 L HN 0.234 nan 8.230 nan 0.000 0.447 456 T N 0.865 115.502 114.554 0.138 0.000 2.867 456 T HA 0.219 4.568 4.350 -0.001 0.000 0.282 456 T C -1.456 173.380 174.700 0.227 0.000 1.000 456 T CA -1.184 61.017 62.100 0.168 0.000 1.042 456 T CB 1.965 70.888 68.868 0.092 0.000 0.973 456 T HN -0.069 nan 8.240 nan 0.000 0.465 457 P HA -0.063 nan 4.420 nan 0.000 0.221 457 P C 1.575 179.060 177.300 0.308 0.000 1.150 457 P CA 0.899 64.183 63.100 0.307 0.000 0.800 457 P CB -0.141 31.695 31.700 0.226 0.000 0.787 458 V N -4.359 115.685 119.914 0.217 0.000 2.809 458 V HA -0.132 3.988 4.120 -0.001 0.000 0.256 458 V C 2.311 178.468 176.094 0.106 0.000 1.080 458 V CA 0.831 63.236 62.300 0.175 0.000 1.102 458 V CB -2.120 29.751 31.823 0.079 0.000 0.705 458 V HN -0.146 nan 8.190 nan 0.000 0.475 459 F N 2.223 122.110 119.950 -0.105 0.000 2.095 459 F HA -0.171 4.355 4.527 -0.001 0.000 0.298 459 F C 2.485 178.387 175.800 0.170 0.000 1.104 459 F CA 2.280 60.203 58.000 -0.127 0.000 1.232 459 F CB -0.368 38.437 39.000 -0.326 0.000 0.987 459 F HN 0.291 nan 8.300 nan 0.000 0.475 460 H N -0.748 118.686 119.070 0.607 0.000 2.553 460 H HA 0.068 4.624 4.556 -0.001 0.000 0.269 460 H C 0.321 175.928 175.328 0.465 0.000 1.011 460 H CA 0.366 56.734 56.048 0.533 0.000 1.150 460 H CB -0.426 29.606 29.762 0.450 0.000 1.339 460 H HN 0.272 nan 8.280 nan 0.000 0.604 461 Q N 1.826 121.915 119.800 0.481 0.000 2.314 461 Q HA 0.173 4.512 4.340 -0.001 0.000 0.259 461 Q C -0.659 175.591 176.000 0.416 0.000 0.951 461 Q CA -0.438 55.600 55.803 0.392 0.000 0.909 461 Q CB 0.875 29.800 28.738 0.313 0.000 1.236 461 Q HN 0.229 nan 8.270 nan 0.000 0.444 462 E N 3.524 123.921 120.200 0.328 0.000 2.354 462 E HA 0.322 4.672 4.350 -0.001 0.000 0.269 462 E C -0.545 176.195 176.600 0.232 0.000 1.036 462 E CA 0.094 56.644 56.400 0.250 0.000 0.876 462 E CB 0.922 30.744 29.700 0.205 0.000 1.009 462 E HN 0.599 nan 8.360 nan 0.000 0.416 463 M N 1.578 121.317 119.600 0.231 0.000 2.591 463 M HA 0.413 4.893 4.480 -0.001 0.000 0.306 463 M C -1.069 175.328 176.300 0.162 0.000 1.190 463 M CA -1.061 54.368 55.300 0.215 0.000 0.889 463 M CB 2.324 35.091 32.600 0.278 0.000 1.728 463 M HN 0.149 nan 8.290 nan 0.000 0.458 464 V N 1.726 121.737 119.914 0.163 0.000 2.384 464 V HA 0.370 4.489 4.120 -0.001 0.000 0.287 464 V C -0.649 175.528 176.094 0.139 0.000 1.020 464 V CA -0.659 61.763 62.300 0.202 0.000 0.850 464 V CB 1.554 33.559 31.823 0.304 0.000 0.987 464 V HN 0.857 nan 8.190 nan 0.000 0.436 465 N N 3.852 122.628 118.700 0.127 0.000 2.392 465 N HA 0.676 5.415 4.740 -0.001 0.000 0.283 465 N C -1.565 174.011 175.510 0.111 0.000 1.003 465 N CA -0.425 52.617 53.050 -0.014 0.000 0.892 465 N CB 1.521 40.010 38.487 0.003 0.000 1.193 465 N HN 0.701 nan 8.380 nan 0.000 0.487 466 Y N 1.025 121.336 120.300 0.018 0.000 2.705 466 Y HA 0.552 5.102 4.550 -0.001 0.000 0.332 466 Y C -1.185 174.712 175.900 -0.004 0.000 1.221 466 Y CA -1.186 56.920 58.100 0.012 0.000 1.059 466 Y CB 0.834 39.307 38.460 0.022 0.000 1.298 466 Y HN 0.148 nan 8.280 nan 0.000 0.459 467 I N 3.311 123.996 120.570 0.192 0.000 2.339 467 I HA 0.428 4.597 4.170 -0.001 0.000 0.290 467 I C -0.814 175.379 176.117 0.127 0.000 0.994 467 I CA -0.520 60.833 61.300 0.087 0.000 1.191 467 I CB 1.126 39.154 38.000 0.047 0.000 1.343 467 I HN 0.414 nan 8.210 nan 0.000 0.458 468 L N 4.725 125.995 121.223 0.077 0.000 2.333 468 L HA 0.569 4.909 4.340 -0.001 0.000 0.269 468 L C -0.064 176.818 176.870 0.021 0.000 1.010 468 L CA -0.574 54.313 54.840 0.078 0.000 0.818 468 L CB 2.151 44.261 42.059 0.086 0.000 1.306 468 L HN 0.509 nan 8.230 nan 0.000 0.430 469 S N 1.267 116.989 115.700 0.037 0.000 2.513 469 S HA 0.623 5.092 4.470 -0.001 0.000 0.299 469 S C -2.591 172.045 174.600 0.059 0.000 1.087 469 S CA -1.436 56.777 58.200 0.023 0.000 1.012 469 S CB 1.917 65.145 63.200 0.047 0.000 1.044 469 S HN 0.232 nan 8.310 nan 0.000 0.485 470 P HA 0.356 nan 4.420 nan 0.000 0.267 470 P C -1.342 175.861 177.300 -0.163 0.000 1.200 470 P CA 0.030 63.070 63.100 -0.101 0.000 0.772 470 P CB 0.568 32.168 31.700 -0.167 0.000 0.855 471 A N 2.148 124.844 122.820 -0.205 0.000 2.566 471 A HA 0.724 5.043 4.320 -0.001 0.000 0.292 471 A C -1.526 175.898 177.584 -0.267 0.000 1.112 471 A CA -0.526 51.394 52.037 -0.195 0.000 0.707 471 A CB 0.938 19.882 19.000 -0.093 0.000 1.302 471 A HN 0.372 nan 8.150 nan 0.000 0.409 472 F N 0.714 120.598 119.950 -0.110 0.000 2.420 472 F HA 0.686 5.212 4.527 -0.001 0.000 0.342 472 F C 0.822 176.534 175.800 -0.146 0.000 1.113 472 F CA 0.011 57.953 58.000 -0.098 0.000 1.059 472 F CB 1.973 40.886 39.000 -0.146 0.000 1.128 472 F HN 0.612 nan 8.300 nan 0.000 0.475 473 R N 1.513 122.063 120.500 0.084 0.000 2.855 473 R HA 0.444 4.783 4.340 -0.001 0.000 0.266 473 R C -1.664 174.619 176.300 -0.029 0.000 1.034 473 R CA -1.138 54.914 56.100 -0.078 0.000 0.944 473 R CB 1.507 31.790 30.300 -0.029 0.000 1.219 473 R HN 0.521 nan 8.270 nan 0.000 0.474 474 Y N 1.251 121.577 120.300 0.044 0.000 2.304 474 Y HA 0.187 4.737 4.550 -0.001 0.000 0.327 474 Y C 0.441 176.340 175.900 -0.001 0.000 1.209 474 Y CA -0.241 57.872 58.100 0.021 0.000 1.299 474 Y CB 1.359 39.821 38.460 0.004 0.000 1.249 474 Y HN 0.426 nan 8.280 nan 0.000 0.519 475 Q N 3.278 123.175 119.800 0.161 0.000 2.379 475 Q HA 0.505 4.845 4.340 -0.001 0.000 0.278 475 Q C -3.066 172.897 176.000 -0.062 0.000 1.068 475 Q CA -2.446 53.378 55.803 0.035 0.000 0.816 475 Q CB 2.175 30.925 28.738 0.019 0.000 1.387 475 Q HN 0.347 nan 8.270 nan 0.000 0.413 476 P HA 0.007 nan 4.420 nan 0.000 0.266 476 P C -0.739 176.345 177.300 -0.361 0.000 1.195 476 P CA 0.104 63.079 63.100 -0.208 0.000 0.768 476 P CB 0.578 32.174 31.700 -0.174 0.000 0.838 477 D N 3.954 124.018 120.400 -0.560 0.000 2.443 477 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 477 D C -1.249 174.394 176.300 -1.096 0.000 1.136 477 D CA -0.865 52.506 54.000 -1.048 0.000 0.879 477 D CB 0.260 40.069 40.800 -1.651 0.000 1.195 477 D HN 0.242 nan 8.370 nan 0.000 0.443 478 P HA -0.162 nan 4.420 nan 0.000 0.213 478 P C 0.832 177.721 177.300 -0.685 0.000 1.176 478 P CA 1.346 63.937 63.100 -0.848 0.000 0.919 478 P CB 0.012 30.973 31.700 -1.231 0.000 0.791 479 W N -0.059 120.798 121.300 -0.737 0.000 1.600 479 W HA 0.457 5.116 4.660 -0.001 0.000 0.520 479 W C 0.363 176.763 176.519 -0.198 0.000 1.995 479 W CA 0.846 57.971 57.345 -0.367 0.000 2.200 479 W CB -1.031 28.232 29.460 -0.329 0.000 2.255 479 W HN 0.129 nan 8.180 nan 0.000 0.853 480 K N 0.000 120.547 120.400 0.245 0.000 2.780 480 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 480 K CA 0.000 56.371 56.287 0.140 0.000 0.838 480 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 480 K HN 0.000 nan 8.250 nan 0.000 0.543