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 6nse_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.840 174.900 -0.100 0.000 0.946 67 G CA 0.000 45.076 45.100 -0.041 0.000 0.502 68 P HA 0.289 nan 4.420 nan 0.000 0.269 68 P C -0.124 177.109 177.300 -0.112 0.000 1.209 68 P CA -0.139 62.816 63.100 -0.241 0.000 0.776 68 P CB 0.989 32.302 31.700 -0.645 0.000 0.876 69 K N 2.453 122.689 120.400 -0.273 0.000 2.790 69 K HA 0.103 4.427 4.320 0.007 0.000 0.229 69 K C -0.837 175.335 176.600 -0.714 0.000 1.040 69 K CA 0.089 56.096 56.287 -0.467 0.000 1.211 69 K CB -0.510 31.652 32.500 -0.564 0.000 1.002 69 K HN 0.367 nan 8.250 nan 0.000 0.479 70 F N -0.209 119.793 119.950 0.086 0.000 2.603 70 F HA 0.369 4.900 4.527 0.008 0.000 0.317 70 F C -2.143 173.763 175.800 0.177 0.000 1.066 70 F CA -2.922 55.143 58.000 0.110 0.000 0.941 70 F CB 0.830 39.893 39.000 0.105 0.000 1.291 70 F HN -0.058 nan 8.300 nan 0.000 0.472 71 P HA -0.023 nan 4.420 nan 0.000 0.258 71 P C -0.680 176.652 177.300 0.054 0.000 1.172 71 P CA 0.238 63.421 63.100 0.138 0.000 0.762 71 P CB 0.336 32.098 31.700 0.102 0.000 0.764 72 R N 3.304 123.762 120.500 -0.071 0.000 2.265 72 R HA 0.403 4.747 4.340 0.007 0.000 0.314 72 R C -1.087 175.070 176.300 -0.238 0.000 1.053 72 R CA -0.484 55.378 56.100 -0.397 0.000 0.931 72 R CB 0.490 30.599 30.300 -0.317 0.000 1.024 72 R HN 0.215 nan 8.270 nan 0.000 0.457 73 V N 4.722 124.469 119.914 -0.277 0.000 2.540 73 V HA 0.410 4.535 4.120 0.007 0.000 0.302 73 V C -0.403 175.590 176.094 -0.168 0.000 1.035 73 V CA -0.834 61.386 62.300 -0.134 0.000 0.873 73 V CB 1.638 33.427 31.823 -0.057 0.000 0.992 73 V HN 0.736 nan 8.190 nan 0.000 0.428 74 K N 3.310 123.626 120.400 -0.139 0.000 2.328 74 K HA 0.468 4.792 4.320 0.007 0.000 0.246 74 K C -0.866 175.627 176.600 -0.179 0.000 0.955 74 K CA -0.742 55.390 56.287 -0.259 0.000 0.817 74 K CB 1.865 34.051 32.500 -0.522 0.000 1.208 74 K HN 0.735 nan 8.250 nan 0.000 0.432 75 N N 3.640 122.226 118.700 -0.190 0.000 2.446 75 N HA 0.124 4.868 4.740 0.007 0.000 0.265 75 N C -0.298 175.165 175.510 -0.077 0.000 0.975 75 N CA -0.370 52.676 53.050 -0.005 0.000 0.928 75 N CB 0.545 39.057 38.487 0.042 0.000 1.160 75 N HN 0.676 nan 8.380 nan 0.000 0.495 76 W N 1.970 123.340 121.300 0.117 0.000 2.678 76 W HA 0.090 4.754 4.660 0.007 0.000 0.256 76 W C 2.106 178.656 176.519 0.051 0.000 1.280 76 W CA 0.023 57.423 57.345 0.092 0.000 1.345 76 W CB 0.284 29.819 29.460 0.125 0.000 1.118 76 W HN 0.655 nan 8.180 nan 0.000 0.629 77 E N 0.366 120.699 120.200 0.222 0.000 2.170 77 E HA -0.104 4.250 4.350 0.007 0.000 0.191 77 E C 1.660 178.288 176.600 0.048 0.000 0.981 77 E CA 0.946 57.379 56.400 0.055 0.000 0.830 77 E CB -0.106 29.598 29.700 0.005 0.000 0.775 77 E HN 0.289 nan 8.360 nan 0.000 0.470 78 L N -1.246 120.006 121.223 0.049 0.000 2.609 78 L HA 0.335 4.679 4.340 0.007 0.000 0.230 78 L C 1.546 178.403 176.870 -0.021 0.000 1.087 78 L CA 0.407 55.256 54.840 0.015 0.000 0.874 78 L CB 0.755 42.826 42.059 0.021 0.000 1.114 78 L HN 0.372 nan 8.230 nan 0.000 0.488 79 G N 0.516 109.279 108.800 -0.062 0.000 2.184 79 G HA2 -0.326 3.638 3.960 0.007 0.000 0.264 79 G HA3 -0.326 3.638 3.960 0.007 0.000 0.264 79 G C 0.450 175.264 174.900 -0.142 0.000 0.975 79 G CA 0.470 45.493 45.100 -0.128 0.000 0.642 79 G HN 0.457 nan 8.290 nan 0.000 0.536 80 S N 0.330 115.969 115.700 -0.103 0.000 2.576 80 S HA 0.711 5.185 4.470 0.007 0.000 0.276 80 S C 0.227 174.749 174.600 -0.130 0.000 1.339 80 S CA -0.420 57.727 58.200 -0.088 0.000 1.039 80 S CB 1.739 64.911 63.200 -0.047 0.000 0.902 80 S HN 0.500 nan 8.310 nan 0.000 0.516 81 I N 2.106 122.609 120.570 -0.111 0.000 2.689 81 I HA 0.612 4.786 4.170 0.007 0.000 0.299 81 I C 0.240 176.288 176.117 -0.114 0.000 1.059 81 I CA -0.231 60.977 61.300 -0.154 0.000 1.055 81 I CB 1.815 39.725 38.000 -0.150 0.000 1.243 81 I HN 1.075 nan 8.210 nan 0.000 0.425 82 T N 1.525 115.963 114.554 -0.193 0.000 2.843 82 T HA 0.664 5.018 4.350 0.007 0.000 0.302 82 T C -1.460 173.075 174.700 -0.275 0.000 1.232 82 T CA -0.685 61.351 62.100 -0.106 0.000 1.009 82 T CB 1.831 70.668 68.868 -0.051 0.000 1.254 82 T HN 0.255 nan 8.240 nan 0.000 0.504 83 Y N 0.390 120.684 120.300 -0.011 0.000 2.393 83 Y HA 0.520 5.074 4.550 0.007 0.000 0.341 83 Y C 0.057 175.935 175.900 -0.037 0.000 0.988 83 Y CA -0.911 57.196 58.100 0.012 0.000 1.078 83 Y CB 1.756 40.244 38.460 0.047 0.000 1.203 83 Y HN 0.726 nan 8.280 nan 0.000 0.453 84 D N 2.031 122.494 120.400 0.105 0.000 2.428 84 D HA 0.104 4.748 4.640 0.007 0.000 0.221 84 D C 0.495 176.739 176.300 -0.093 0.000 1.123 84 D CA 0.051 54.061 54.000 0.017 0.000 0.869 84 D CB 1.140 41.977 40.800 0.061 0.000 1.032 84 D HN 0.805 nan 8.370 nan 0.000 0.506 85 T N 1.250 115.618 114.554 -0.309 0.000 3.057 85 T HA -0.071 4.283 4.350 0.007 0.000 0.254 85 T C 1.861 176.359 174.700 -0.336 0.000 1.094 85 T CA -0.221 61.478 62.100 -0.668 0.000 1.088 85 T CB 0.200 68.568 68.868 -0.833 0.000 0.934 85 T HN 0.265 nan 8.240 nan 0.000 0.497 86 L N 2.664 123.765 121.223 -0.203 0.000 2.131 86 L HA 0.006 4.350 4.340 0.007 0.000 0.210 86 L C 2.533 179.269 176.870 -0.223 0.000 1.092 86 L CA 1.056 55.824 54.840 -0.121 0.000 0.759 86 L CB -1.091 40.977 42.059 0.015 0.000 0.903 86 L HN 0.627 nan 8.230 nan 0.000 0.435 87 C N -1.504 117.484 119.300 -0.521 0.000 2.409 87 C HA 0.068 4.532 4.460 0.007 0.000 0.288 87 C C 2.786 177.569 174.990 -0.345 0.000 1.395 87 C CA 0.134 58.594 59.018 -0.929 0.000 1.792 87 C CB -2.349 24.797 27.740 -0.990 0.000 1.847 87 C HN 0.595 nan 8.230 nan 0.000 0.534 88 A N 0.234 122.969 122.820 -0.143 0.000 2.067 88 A HA -0.099 4.225 4.320 0.007 0.000 0.219 88 A C 2.293 179.866 177.584 -0.018 0.000 1.158 88 A CA 1.440 53.471 52.037 -0.010 0.000 0.661 88 A CB -0.416 18.638 19.000 0.091 0.000 0.801 88 A HN 0.635 nan 8.150 nan 0.000 0.452 89 Q N 0.215 119.992 119.800 -0.037 0.000 2.311 89 Q HA 0.027 4.371 4.340 0.007 0.000 0.203 89 Q C 1.140 177.160 176.000 0.033 0.000 0.954 89 Q CA 0.656 56.463 55.803 0.008 0.000 0.885 89 Q CB -0.713 28.037 28.738 0.020 0.000 0.963 89 Q HN 0.540 nan 8.270 nan 0.000 0.471 90 S N 1.102 116.817 115.700 0.025 0.000 2.546 90 S HA -0.046 4.429 4.470 0.007 0.000 0.290 90 S C 0.787 175.420 174.600 0.055 0.000 1.290 90 S CA 0.143 58.388 58.200 0.075 0.000 1.069 90 S CB 0.434 63.690 63.200 0.092 0.000 0.846 90 S HN 0.113 nan 8.310 nan 0.000 0.495 91 Q N 2.042 121.881 119.800 0.064 0.000 2.164 91 Q HA 0.234 4.578 4.340 0.007 0.000 0.226 91 Q C -0.281 175.749 176.000 0.049 0.000 0.813 91 Q CA 0.034 55.868 55.803 0.052 0.000 0.978 91 Q CB 0.567 29.337 28.738 0.053 0.000 1.149 91 Q HN 0.775 nan 8.270 nan 0.000 0.489 92 Q N 1.626 121.461 119.800 0.057 0.000 2.333 92 Q HA 0.229 4.573 4.340 0.007 0.000 0.265 92 Q C -1.022 175.012 176.000 0.057 0.000 0.989 92 Q CA -0.228 55.605 55.803 0.051 0.000 0.842 92 Q CB 1.005 29.770 28.738 0.046 0.000 1.262 92 Q HN -0.107 nan 8.270 nan 0.000 0.451 93 D N 2.094 122.523 120.400 0.047 0.000 2.378 93 D HA 0.307 4.951 4.640 0.007 0.000 0.238 93 D C 0.125 176.457 176.300 0.054 0.000 1.180 93 D CA 0.582 54.611 54.000 0.048 0.000 0.895 93 D CB 0.985 41.807 40.800 0.038 0.000 1.192 93 D HN 0.703 nan 8.370 nan 0.000 0.438 94 G N 0.065 108.900 108.800 0.058 0.000 2.753 94 G HA2 0.384 4.348 3.960 0.007 0.000 0.285 94 G HA3 0.384 4.348 3.960 0.007 0.000 0.285 94 G C -1.830 173.102 174.900 0.053 0.000 1.344 94 G CA -0.691 44.446 45.100 0.062 0.000 1.050 94 G HN 0.271 nan 8.290 nan 0.000 0.532 95 P HA 0.124 nan 4.420 nan 0.000 0.230 95 P C 0.478 177.805 177.300 0.045 0.000 1.168 95 P CA 0.111 63.240 63.100 0.049 0.000 0.793 95 P CB 0.209 31.942 31.700 0.056 0.000 0.851 96 C N 0.807 120.136 119.300 0.048 0.000 2.500 96 C HA 0.608 5.072 4.460 0.007 0.000 0.367 96 C C 1.029 176.040 174.990 0.035 0.000 1.283 96 C CA 0.129 59.173 59.018 0.042 0.000 2.456 96 C CB 0.706 28.474 27.740 0.047 0.000 2.457 96 C HN 0.350 nan 8.230 nan 0.000 0.632 97 T N -2.175 112.396 114.554 0.029 0.000 2.843 97 T HA 0.398 4.752 4.350 0.007 0.000 0.302 97 T C -2.539 172.173 174.700 0.020 0.000 1.232 97 T CA -1.071 61.043 62.100 0.023 0.000 1.009 97 T CB 1.297 70.176 68.868 0.019 0.000 1.254 97 T HN 0.258 nan 8.240 nan 0.000 0.504 98 P HA -0.011 nan 4.420 nan 0.000 0.221 98 P C 1.513 178.820 177.300 0.011 0.000 1.145 98 P CA 0.562 63.670 63.100 0.013 0.000 0.795 98 P CB 0.154 31.859 31.700 0.009 0.000 0.775 99 R N -0.336 120.170 120.500 0.011 0.000 2.090 99 R HA 0.063 4.407 4.340 0.007 0.000 0.228 99 R C 1.183 177.490 176.300 0.011 0.000 1.110 99 R CA 1.094 57.200 56.100 0.010 0.000 0.973 99 R CB -0.488 29.818 30.300 0.010 0.000 0.869 99 R HN 0.311 nan 8.270 nan 0.000 0.440 100 R N -0.915 119.593 120.500 0.014 0.000 2.663 100 R HA 0.159 4.503 4.340 0.007 0.000 0.267 100 R C -1.459 174.854 176.300 0.021 0.000 1.038 100 R CA -0.721 55.388 56.100 0.015 0.000 0.886 100 R CB 0.224 30.532 30.300 0.015 0.000 1.249 100 R HN -0.009 nan 8.270 nan 0.000 0.463 101 C N 3.343 122.656 119.300 0.021 0.000 2.246 101 C HA 0.488 4.952 4.460 0.007 0.000 0.329 101 C C 0.108 175.120 174.990 0.037 0.000 1.221 101 C CA -0.591 58.445 59.018 0.030 0.000 1.697 101 C CB -1.083 26.671 27.740 0.024 0.000 2.312 101 C HN 0.577 nan 8.230 nan 0.000 0.509 102 L N 6.142 127.392 121.223 0.045 0.000 3.036 102 L HA 0.345 4.690 4.340 0.007 0.000 0.237 102 L C 1.677 178.589 176.870 0.070 0.000 1.319 102 L CA 0.561 55.432 54.840 0.052 0.000 1.112 102 L CB 0.052 42.139 42.059 0.047 0.000 1.480 102 L HN 0.977 nan 8.230 nan 0.000 0.506 103 G N -1.479 107.367 108.800 0.076 0.000 2.985 103 G HA2 -0.064 3.901 3.960 0.007 0.000 0.209 103 G HA3 -0.064 3.901 3.960 0.007 0.000 0.209 103 G C 1.193 176.178 174.900 0.140 0.000 1.165 103 G CA 0.788 45.949 45.100 0.102 0.000 0.776 103 G HN 0.507 nan 8.290 nan 0.000 0.541 104 S N -0.191 115.586 115.700 0.128 0.000 2.539 104 S HA 0.346 4.820 4.470 0.007 0.000 0.221 104 S C 0.709 175.405 174.600 0.160 0.000 0.987 104 S CA -0.550 57.743 58.200 0.155 0.000 0.929 104 S CB -0.031 63.234 63.200 0.109 0.000 0.832 104 S HN 0.093 nan 8.310 nan 0.000 0.492 105 L N 2.352 123.657 121.223 0.137 0.000 2.360 105 L HA 0.265 4.609 4.340 0.007 0.000 0.276 105 L C 1.433 178.407 176.870 0.173 0.000 1.121 105 L CA -0.501 54.413 54.840 0.123 0.000 0.845 105 L CB 0.828 42.937 42.059 0.084 0.000 1.143 105 L HN 0.018 nan 8.230 nan 0.000 0.452 106 V N 4.831 124.857 119.914 0.186 0.000 2.295 106 V HA -0.190 3.934 4.120 0.007 0.000 0.246 106 V C 1.121 177.284 176.094 0.116 0.000 1.049 106 V CA 1.498 63.950 62.300 0.252 0.000 1.024 106 V CB -0.202 31.764 31.823 0.237 0.000 0.648 106 V HN 0.572 nan 8.190 nan 0.000 0.447 107 L N 2.628 123.867 121.223 0.027 0.000 2.581 107 L HA 0.377 4.722 4.340 0.007 0.000 0.241 107 L C -2.299 174.581 176.870 0.017 0.000 1.265 107 L CA -1.173 53.644 54.840 -0.038 0.000 0.954 107 L CB 0.794 42.767 42.059 -0.144 0.000 1.269 107 L HN 0.255 nan 8.230 nan 0.000 0.475 108 P HA 0.211 nan 4.420 nan 0.000 0.279 108 P C -0.241 177.087 177.300 0.047 0.000 1.252 108 P CA -0.685 62.444 63.100 0.049 0.000 0.811 108 P CB 1.323 33.059 31.700 0.061 0.000 1.035 109 R N 1.238 121.760 120.500 0.035 0.000 3.907 109 R HA 0.092 4.436 4.340 0.007 0.000 0.241 109 R C 0.650 176.973 176.300 0.038 0.000 1.784 109 R CA 0.088 56.207 56.100 0.033 0.000 1.509 109 R CB -0.023 30.290 30.300 0.020 0.000 1.275 109 R HN 0.289 nan 8.270 nan 0.000 0.642 110 K N -0.512 119.918 120.400 0.049 0.000 2.529 110 K HA 0.143 4.467 4.320 0.007 0.000 0.215 110 K C 0.978 177.611 176.600 0.054 0.000 1.286 110 K CA 0.166 56.482 56.287 0.048 0.000 0.997 110 K CB 0.920 33.449 32.500 0.048 0.000 1.063 110 K HN 0.214 nan 8.250 nan 0.000 0.590 111 L N 0.279 121.546 121.223 0.074 0.000 2.609 111 L HA 0.220 4.564 4.340 0.007 0.000 0.230 111 L C 0.914 177.851 176.870 0.112 0.000 1.064 111 L CA 0.090 54.981 54.840 0.084 0.000 0.873 111 L CB 0.524 42.655 42.059 0.119 0.000 1.139 111 L HN 0.041 nan 8.230 nan 0.000 0.490 112 Q N 1.597 121.475 119.800 0.129 0.000 2.286 112 Q HA 0.136 4.480 4.340 0.007 0.000 0.257 112 Q C -0.649 175.392 176.000 0.067 0.000 0.941 112 Q CA -0.251 55.629 55.803 0.128 0.000 0.912 112 Q CB 1.019 29.816 28.738 0.098 0.000 1.192 112 Q HN 0.124 nan 8.270 nan 0.000 0.410 113 T N 2.884 117.473 114.554 0.059 0.000 2.811 113 T HA 0.389 4.743 4.350 0.007 0.000 0.309 113 T C -0.107 174.601 174.700 0.013 0.000 1.005 113 T CA -0.890 61.227 62.100 0.028 0.000 0.955 113 T CB 0.568 69.448 68.868 0.020 0.000 0.970 113 T HN 0.490 nan 8.240 nan 0.000 0.496 114 R N 3.635 124.137 120.500 0.003 0.000 2.811 114 R HA 0.248 4.593 4.340 0.007 0.000 0.265 114 R C -1.991 174.298 176.300 -0.019 0.000 1.026 114 R CA -1.487 54.606 56.100 -0.012 0.000 1.142 114 R CB -0.146 30.147 30.300 -0.011 0.000 1.027 114 R HN 0.460 nan 8.270 nan 0.000 0.465 115 P HA 0.068 nan 4.420 nan 0.000 0.276 115 P C -1.179 176.108 177.300 -0.022 0.000 1.235 115 P CA -0.224 62.858 63.100 -0.031 0.000 0.772 115 P CB 1.002 32.676 31.700 -0.044 0.000 0.871 116 S N 3.563 119.251 115.700 -0.019 0.000 2.464 116 S HA 0.271 4.745 4.470 0.007 0.000 0.313 116 S C -1.016 173.575 174.600 -0.014 0.000 1.078 116 S CA -1.052 57.139 58.200 -0.016 0.000 1.096 116 S CB 0.381 63.570 63.200 -0.017 0.000 1.032 116 S HN 0.385 nan 8.310 nan 0.000 0.498 117 P HA 0.092 nan 4.420 nan 0.000 0.223 117 P C 0.670 177.967 177.300 -0.005 0.000 1.151 117 P CA 0.683 63.779 63.100 -0.007 0.000 0.787 117 P CB -0.098 31.599 31.700 -0.005 0.000 0.788 118 G N 0.992 109.789 108.800 -0.005 0.000 2.481 118 G HA2 0.524 4.488 3.960 0.007 0.000 0.315 118 G HA3 0.524 4.488 3.960 0.007 0.000 0.315 118 G C -2.959 171.937 174.900 -0.007 0.000 1.231 118 G CA -1.492 43.606 45.100 -0.004 0.000 0.968 118 G HN -0.114 nan 8.290 nan 0.000 0.482 119 P HA 0.202 nan 4.420 nan 0.000 0.267 119 P C -2.452 174.845 177.300 -0.004 0.000 1.205 119 P CA -0.738 62.356 63.100 -0.010 0.000 0.765 119 P CB 0.325 32.022 31.700 -0.006 0.000 0.828 120 P HA 0.092 nan 4.420 nan 0.000 0.264 120 P C -2.253 175.052 177.300 0.009 0.000 1.179 120 P CA -0.450 62.651 63.100 0.001 0.000 0.763 120 P CB -1.120 30.580 31.700 0.001 0.000 0.806 121 P HA -0.052 nan 4.420 nan 0.000 0.260 121 P C 0.703 178.014 177.300 0.019 0.000 1.185 121 P CA 0.462 63.571 63.100 0.014 0.000 0.763 121 P CB 0.268 31.976 31.700 0.013 0.000 0.776 122 A N 4.446 127.278 122.820 0.019 0.000 1.985 122 A HA -0.309 4.015 4.320 0.007 0.000 0.223 122 A C 1.916 179.514 177.584 0.022 0.000 1.189 122 A CA 2.047 54.098 52.037 0.024 0.000 0.658 122 A CB -0.832 18.181 19.000 0.021 0.000 0.820 122 A HN 0.515 nan 8.150 nan 0.000 0.464 123 E N -0.887 119.324 120.200 0.018 0.000 2.047 123 E HA -0.181 4.173 4.350 0.007 0.000 0.191 123 E C 2.186 178.799 176.600 0.021 0.000 0.987 123 E CA 1.439 57.849 56.400 0.017 0.000 0.799 123 E CB -0.308 29.401 29.700 0.014 0.000 0.752 123 E HN 0.818 nan 8.360 nan 0.000 0.449 124 Q N 0.101 119.915 119.800 0.024 0.000 2.167 124 Q HA -0.077 4.268 4.340 0.007 0.000 0.202 124 Q C 2.131 178.154 176.000 0.039 0.000 0.970 124 Q CA 0.726 56.547 55.803 0.029 0.000 0.855 124 Q CB -0.024 28.729 28.738 0.025 0.000 0.911 124 Q HN 0.333 nan 8.270 nan 0.000 0.438 125 L N 0.205 121.453 121.223 0.043 0.000 2.056 125 L HA -0.173 4.172 4.340 0.007 0.000 0.207 125 L C 2.237 179.148 176.870 0.069 0.000 1.078 125 L CA 0.593 55.474 54.840 0.068 0.000 0.749 125 L CB -0.239 41.864 42.059 0.074 0.000 0.901 125 L HN 0.377 nan 8.230 nan 0.000 0.433 126 L N -0.091 121.153 121.223 0.035 0.000 1.989 126 L HA -0.234 4.110 4.340 0.007 0.000 0.211 126 L C 2.893 179.771 176.870 0.013 0.000 1.071 126 L CA 2.492 57.333 54.840 0.002 0.000 0.749 126 L CB -1.184 40.875 42.059 -0.001 0.000 0.890 126 L HN 0.452 nan 8.230 nan 0.000 0.431 127 S N -1.360 114.358 115.700 0.031 0.000 2.402 127 S HA -0.214 4.261 4.470 0.007 0.000 0.229 127 S C 1.752 176.395 174.600 0.070 0.000 1.021 127 S CA 0.826 59.052 58.200 0.043 0.000 0.974 127 S CB -0.394 62.829 63.200 0.038 0.000 0.800 127 S HN 0.511 nan 8.310 nan 0.000 0.484 128 Q N 1.084 120.933 119.800 0.082 0.000 2.119 128 Q HA 0.071 4.415 4.340 0.007 0.000 0.201 128 Q C 2.580 178.686 176.000 0.176 0.000 0.972 128 Q CA 1.291 57.164 55.803 0.117 0.000 0.847 128 Q CB -0.443 28.355 28.738 0.101 0.000 0.903 128 Q HN 0.746 nan 8.270 nan 0.000 0.433 129 A N 1.217 124.125 122.820 0.146 0.000 1.872 129 A HA -0.149 4.175 4.320 0.007 0.000 0.214 129 A C 2.005 179.651 177.584 0.103 0.000 1.187 129 A CA 0.999 53.116 52.037 0.133 0.000 0.614 129 A CB -0.338 18.553 19.000 -0.182 0.000 0.826 129 A HN 0.172 nan 8.150 nan 0.000 0.442 130 R N -0.298 120.230 120.500 0.047 0.000 2.091 130 R HA -0.161 4.184 4.340 0.007 0.000 0.238 130 R C 2.071 178.439 176.300 0.114 0.000 1.136 130 R CA 1.559 57.697 56.100 0.064 0.000 0.959 130 R CB -0.454 29.872 30.300 0.043 0.000 0.856 130 R HN 0.717 nan 8.270 nan 0.000 0.437 131 D N 0.180 120.656 120.400 0.127 0.000 2.117 131 D HA -0.201 4.443 4.640 0.007 0.000 0.197 131 D C 1.725 178.130 176.300 0.175 0.000 0.987 131 D CA 1.064 55.147 54.000 0.139 0.000 0.829 131 D CB 0.010 40.891 40.800 0.135 0.000 0.961 131 D HN 0.112 nan 8.370 nan 0.000 0.460 132 F N 1.709 121.734 119.950 0.126 0.000 2.113 132 F HA -0.148 4.382 4.527 0.006 0.000 0.297 132 F C 2.206 178.114 175.800 0.179 0.000 1.103 132 F CA 0.868 58.971 58.000 0.171 0.000 1.248 132 F CB -0.380 38.732 39.000 0.186 0.000 0.999 132 F HN -0.099 nan 8.300 nan 0.000 0.475 133 I N 1.090 121.586 120.570 -0.123 0.000 2.264 133 I HA -0.322 3.852 4.170 0.007 0.000 0.248 133 I C 1.886 177.903 176.117 -0.167 0.000 1.111 133 I CA 1.252 62.461 61.300 -0.153 0.000 1.382 133 I CB -1.758 36.302 38.000 0.101 0.000 1.060 133 I HN 0.238 nan 8.210 nan 0.000 0.418 134 N N 0.960 119.631 118.700 -0.048 0.000 2.120 134 N HA -0.178 4.566 4.740 0.007 0.000 0.188 134 N C 1.840 177.272 175.510 -0.131 0.000 1.024 134 N CA 1.056 54.093 53.050 -0.022 0.000 0.852 134 N CB -0.396 38.168 38.487 0.128 0.000 1.003 134 N HN 0.498 nan 8.380 nan 0.000 0.424 135 Q N -0.709 119.013 119.800 -0.130 0.000 2.084 135 Q HA -0.168 4.176 4.340 0.007 0.000 0.202 135 Q C 1.692 177.447 176.000 -0.410 0.000 0.978 135 Q CA 1.191 56.935 55.803 -0.098 0.000 0.844 135 Q CB -0.257 28.564 28.738 0.138 0.000 0.898 135 Q HN 0.458 nan 8.270 nan 0.000 0.426 136 Y N 0.230 120.026 120.300 -0.841 0.000 2.089 136 Y HA -0.309 4.244 4.550 0.005 0.000 0.282 136 Y C 1.807 177.155 175.900 -0.920 0.000 1.139 136 Y CA 1.607 58.937 58.100 -1.284 0.000 1.123 136 Y CB -0.641 37.100 38.460 -1.198 0.000 0.980 136 Y HN 0.061 nan 8.280 nan 0.000 0.493 137 Y N 0.105 119.893 120.300 -0.853 0.000 2.256 137 Y HA -0.212 4.342 4.550 0.007 0.000 0.288 137 Y C 2.816 178.399 175.900 -0.529 0.000 1.155 137 Y CA 1.803 59.442 58.100 -0.768 0.000 1.203 137 Y CB -0.751 37.238 38.460 -0.785 0.000 0.980 137 Y HN 0.126 nan 8.280 nan 0.000 0.530 138 S N -0.796 114.728 115.700 -0.293 0.000 2.402 138 S HA -0.184 4.291 4.470 0.007 0.000 0.229 138 S C 2.241 176.707 174.600 -0.222 0.000 1.021 138 S CA 1.228 59.323 58.200 -0.175 0.000 0.974 138 S CB -0.532 62.607 63.200 -0.102 0.000 0.800 138 S HN 0.644 nan 8.310 nan 0.000 0.484 139 S N 2.340 117.811 115.700 -0.381 0.000 2.428 139 S HA -0.005 4.469 4.470 0.007 0.000 0.230 139 S C 1.657 176.072 174.600 -0.308 0.000 1.014 139 S CA 0.863 58.874 58.200 -0.314 0.000 0.957 139 S CB -0.736 62.200 63.200 -0.440 0.000 0.784 139 S HN 0.722 nan 8.310 nan 0.000 0.499 140 I N -2.951 117.351 120.570 -0.447 0.000 3.883 140 I HA 0.369 4.543 4.170 0.007 0.000 0.326 140 I C -0.370 175.639 176.117 -0.180 0.000 1.283 140 I CA -0.446 60.660 61.300 -0.324 0.000 1.161 140 I CB -0.167 37.566 38.000 -0.445 0.000 1.012 140 I HN -0.109 nan 8.210 nan 0.000 0.421 141 K N 2.659 122.965 120.400 -0.157 0.000 3.372 141 K HA -0.120 4.204 4.320 0.007 0.000 0.272 141 K C -0.293 176.281 176.600 -0.044 0.000 1.037 141 K CA 0.385 56.623 56.287 -0.081 0.000 0.777 141 K CB -1.538 30.925 32.500 -0.061 0.000 1.347 141 K HN 0.547 nan 8.250 nan 0.000 0.460 142 R N -0.968 119.522 120.500 -0.016 0.000 2.615 142 R HA 0.111 4.455 4.340 0.007 0.000 0.448 142 R C 0.014 176.345 176.300 0.052 0.000 1.009 142 R CA -0.407 55.707 56.100 0.023 0.000 1.111 142 R CB 0.816 31.169 30.300 0.089 0.000 1.461 142 R HN 0.131 nan 8.270 nan 0.000 0.587 143 S N -0.205 115.547 115.700 0.087 0.000 2.549 143 S HA 0.334 4.808 4.470 0.007 0.000 0.286 143 S C 1.335 175.998 174.600 0.104 0.000 1.314 143 S CA 1.553 59.902 58.200 0.249 0.000 1.062 143 S CB 0.604 63.888 63.200 0.141 0.000 0.865 143 S HN 0.726 nan 8.310 nan 0.000 0.498 144 G N 2.753 111.545 108.800 -0.014 0.000 2.234 144 G HA2 -0.301 3.664 3.960 0.007 0.000 0.260 144 G HA3 -0.301 3.664 3.960 0.007 0.000 0.260 144 G C 0.315 175.125 174.900 -0.149 0.000 0.987 144 G CA 0.480 45.476 45.100 -0.174 0.000 0.625 144 G HN 1.414 nan 8.290 nan 0.000 0.532 145 S N 0.506 116.146 115.700 -0.100 0.000 2.589 145 S HA 0.419 4.893 4.470 0.007 0.000 0.265 145 S C 1.776 176.294 174.600 -0.137 0.000 1.342 145 S CA 0.737 58.875 58.200 -0.103 0.000 1.005 145 S CB 1.376 64.522 63.200 -0.089 0.000 0.909 145 S HN 0.910 nan 8.310 nan 0.000 0.555 146 Q N 1.679 121.418 119.800 -0.101 0.000 2.135 146 Q HA -0.137 4.207 4.340 0.007 0.000 0.204 146 Q C 2.103 178.042 176.000 -0.101 0.000 0.981 146 Q CA 2.175 57.925 55.803 -0.088 0.000 0.856 146 Q CB -1.574 27.133 28.738 -0.053 0.000 0.902 146 Q HN 0.907 nan 8.270 nan 0.000 0.425 147 A N 1.148 123.897 122.820 -0.118 0.000 1.902 147 A HA -0.226 4.098 4.320 0.007 0.000 0.217 147 A C 2.111 179.502 177.584 -0.323 0.000 1.181 147 A CA 1.566 53.532 52.037 -0.117 0.000 0.623 147 A CB -1.130 17.854 19.000 -0.028 0.000 0.818 147 A HN 0.724 nan 8.150 nan 0.000 0.443 148 H N -0.625 117.962 119.070 -0.806 0.000 2.293 148 H HA -0.122 4.439 4.556 0.008 0.000 0.300 148 H C 1.941 177.032 175.328 -0.395 0.000 1.082 148 H CA 1.331 56.740 56.048 -1.065 0.000 1.308 148 H CB 0.135 29.400 29.762 -0.829 0.000 1.375 148 H HN 0.405 nan 8.280 nan 0.000 0.495 149 E N 0.580 120.682 120.200 -0.164 0.000 2.150 149 E HA -0.151 4.203 4.350 0.007 0.000 0.193 149 E C 2.081 178.650 176.600 -0.052 0.000 0.985 149 E CA 0.883 57.203 56.400 -0.134 0.000 0.814 149 E CB -0.074 29.534 29.700 -0.152 0.000 0.752 149 E HN 0.682 nan 8.360 nan 0.000 0.466 150 E N 0.431 120.607 120.200 -0.041 0.000 2.072 150 E HA -0.147 4.207 4.350 0.007 0.000 0.190 150 E C 2.136 178.760 176.600 0.039 0.000 0.982 150 E CA 0.681 57.081 56.400 -0.001 0.000 0.803 150 E CB 0.003 29.706 29.700 0.004 0.000 0.755 150 E HN -0.092 nan 8.360 nan 0.000 0.453 151 R N 1.036 121.582 120.500 0.076 0.000 2.120 151 R HA -0.081 4.263 4.340 0.007 0.000 0.234 151 R C 1.907 178.277 176.300 0.117 0.000 1.123 151 R CA 1.086 57.277 56.100 0.151 0.000 0.975 151 R CB -0.404 30.092 30.300 0.326 0.000 0.866 151 R HN 0.175 nan 8.270 nan 0.000 0.446 152 L N -0.263 121.019 121.223 0.098 0.000 2.044 152 L HA -0.124 4.220 4.340 0.007 0.000 0.205 152 L C 2.473 179.349 176.870 0.011 0.000 1.075 152 L CA 1.466 56.341 54.840 0.058 0.000 0.747 152 L CB -0.451 41.639 42.059 0.052 0.000 0.903 152 L HN 0.281 nan 8.230 nan 0.000 0.435 153 Q N -0.357 119.449 119.800 0.010 0.000 2.170 153 Q HA -0.255 4.089 4.340 0.007 0.000 0.203 153 Q C 2.077 178.085 176.000 0.013 0.000 0.976 153 Q CA 1.403 57.207 55.803 0.003 0.000 0.858 153 Q CB -0.049 28.689 28.738 0.001 0.000 0.907 153 Q HN 0.473 nan 8.270 nan 0.000 0.433 154 E N 0.085 120.303 120.200 0.030 0.000 2.150 154 E HA -0.142 4.212 4.350 0.007 0.000 0.193 154 E C 1.907 178.532 176.600 0.041 0.000 0.985 154 E CA 0.728 57.157 56.400 0.047 0.000 0.814 154 E CB 0.295 30.038 29.700 0.072 0.000 0.752 154 E HN 0.132 nan 8.360 nan 0.000 0.466 155 V N 2.144 122.053 119.914 -0.007 0.000 2.379 155 V HA -0.233 3.891 4.120 0.007 0.000 0.245 155 V C 2.197 178.229 176.094 -0.102 0.000 1.044 155 V CA 2.175 64.404 62.300 -0.119 0.000 1.036 155 V CB -0.467 31.170 31.823 -0.310 0.000 0.664 155 V HN 0.392 nan 8.190 nan 0.000 0.453 156 E N 1.078 121.239 120.200 -0.064 0.000 2.208 156 E HA -0.104 4.251 4.350 0.007 0.000 0.193 156 E C 2.173 178.775 176.600 0.003 0.000 0.988 156 E CA 1.214 57.594 56.400 -0.034 0.000 0.828 156 E CB -0.349 29.334 29.700 -0.027 0.000 0.763 156 E HN 0.527 nan 8.360 nan 0.000 0.478 157 A N 2.082 124.910 122.820 0.015 0.000 1.873 157 A HA -0.242 4.082 4.320 0.007 0.000 0.215 157 A C 2.157 179.770 177.584 0.049 0.000 1.186 157 A CA 1.665 53.720 52.037 0.030 0.000 0.616 157 A CB -0.519 18.501 19.000 0.034 0.000 0.823 157 A HN 0.333 nan 8.150 nan 0.000 0.442 158 E N -0.355 119.887 120.200 0.070 0.000 2.072 158 E HA -0.123 4.232 4.350 0.007 0.000 0.191 158 E C 1.817 178.479 176.600 0.103 0.000 0.985 158 E CA 1.389 57.854 56.400 0.109 0.000 0.801 158 E CB -0.108 29.697 29.700 0.176 0.000 0.750 158 E HN 0.286 nan 8.360 nan 0.000 0.452 159 V N 1.068 121.034 119.914 0.088 0.000 2.515 159 V HA -0.235 3.889 4.120 0.007 0.000 0.250 159 V C 2.352 178.477 176.094 0.052 0.000 1.058 159 V CA 1.592 63.939 62.300 0.079 0.000 1.064 159 V CB -0.650 31.207 31.823 0.057 0.000 0.675 159 V HN 0.438 nan 8.190 nan 0.000 0.461 160 A N 0.816 123.660 122.820 0.040 0.000 1.877 160 A HA -0.209 4.115 4.320 0.007 0.000 0.216 160 A C 2.500 180.105 177.584 0.034 0.000 1.186 160 A CA 2.519 54.575 52.037 0.031 0.000 0.620 160 A CB -0.595 18.420 19.000 0.024 0.000 0.822 160 A HN 0.673 nan 8.150 nan 0.000 0.443 161 S N -1.371 114.355 115.700 0.042 0.000 2.441 161 S HA -0.067 4.407 4.470 0.007 0.000 0.224 161 S C 1.817 176.445 174.600 0.046 0.000 1.043 161 S CA 1.406 59.631 58.200 0.042 0.000 0.948 161 S CB -0.754 62.472 63.200 0.043 0.000 0.810 161 S HN 0.764 nan 8.310 nan 0.000 0.504 162 T N -2.899 111.690 114.554 0.058 0.000 3.014 162 T HA 0.524 4.878 4.350 0.007 0.000 0.250 162 T C 1.711 176.439 174.700 0.046 0.000 1.060 162 T CA 0.920 63.056 62.100 0.059 0.000 1.040 162 T CB 0.030 68.949 68.868 0.085 0.000 0.971 162 T HN 1.077 nan 8.240 nan 0.000 0.497 163 G N 0.229 109.057 108.800 0.047 0.000 2.234 163 G HA2 -0.201 3.763 3.960 0.007 0.000 0.235 163 G HA3 -0.201 3.763 3.960 0.007 0.000 0.235 163 G C 0.250 175.174 174.900 0.040 0.000 0.997 163 G CA 0.479 45.601 45.100 0.037 0.000 0.623 163 G HN 0.963 nan 8.290 nan 0.000 0.514 164 T N -1.113 113.467 114.554 0.042 0.000 2.669 164 T HA 0.745 5.099 4.350 0.007 0.000 0.283 164 T C -0.980 173.780 174.700 0.100 0.000 1.019 164 T CA 0.424 62.539 62.100 0.024 0.000 1.039 164 T CB 1.600 70.392 68.868 -0.125 0.000 1.374 164 T HN 1.472 nan 8.240 nan 0.000 0.523 165 Y N -0.932 119.266 120.300 -0.171 0.000 2.728 165 Y HA 0.786 5.340 4.550 0.007 0.000 0.330 165 Y C -1.127 174.577 175.900 -0.327 0.000 1.234 165 Y CA -1.149 56.880 58.100 -0.117 0.000 1.070 165 Y CB 0.933 39.392 38.460 -0.001 0.000 1.300 165 Y HN 0.678 nan 8.280 nan 0.000 0.467 166 H N 0.859 119.917 119.070 -0.020 0.000 2.821 166 H HA 0.591 5.151 4.556 0.007 0.000 0.373 166 H C -1.138 174.210 175.328 0.034 0.000 1.165 166 H CA -0.824 55.158 56.048 -0.110 0.000 1.154 166 H CB 2.587 32.345 29.762 -0.007 0.000 1.765 166 H HN 0.606 nan 8.280 nan 0.000 0.549 167 L N 1.502 122.794 121.223 0.115 0.000 2.375 167 L HA 0.465 4.809 4.340 0.007 0.000 0.268 167 L C 0.810 177.743 176.870 0.104 0.000 1.058 167 L CA -0.790 54.136 54.840 0.145 0.000 0.803 167 L CB 1.006 43.124 42.059 0.098 0.000 1.212 167 L HN 0.341 nan 8.230 nan 0.000 0.451 168 R N 0.609 121.138 120.500 0.048 0.000 2.528 168 R HA 0.078 4.422 4.340 0.007 0.000 0.271 168 R C 1.052 177.337 176.300 -0.025 0.000 1.056 168 R CA -0.601 55.501 56.100 0.004 0.000 1.117 168 R CB 0.966 31.244 30.300 -0.037 0.000 1.085 168 R HN 0.651 nan 8.270 nan 0.000 0.530 169 E N 1.244 121.432 120.200 -0.019 0.000 2.065 169 E HA -0.262 4.092 4.350 0.007 0.000 0.201 169 E C 1.413 177.992 176.600 -0.036 0.000 1.016 169 E CA 2.440 58.823 56.400 -0.028 0.000 0.818 169 E CB 0.048 29.738 29.700 -0.017 0.000 0.749 169 E HN 0.678 nan 8.360 nan 0.000 0.453 170 S N -0.045 115.634 115.700 -0.036 0.000 2.447 170 S HA -0.124 4.350 4.470 0.007 0.000 0.233 170 S C 1.712 176.293 174.600 -0.031 0.000 1.006 170 S CA 1.099 59.296 58.200 -0.004 0.000 0.957 170 S CB -0.211 63.016 63.200 0.045 0.000 0.773 170 S HN 0.330 nan 8.310 nan 0.000 0.507 171 E N 0.910 120.988 120.200 -0.202 0.000 2.072 171 E HA -0.006 4.348 4.350 0.007 0.000 0.190 171 E C 2.021 178.708 176.600 0.145 0.000 0.982 171 E CA 0.962 57.241 56.400 -0.203 0.000 0.803 171 E CB -0.326 29.217 29.700 -0.261 0.000 0.755 171 E HN 0.442 nan 8.360 nan 0.000 0.453 172 L N 1.080 122.313 121.223 0.017 0.000 2.046 172 L HA -0.168 4.176 4.340 0.007 0.000 0.208 172 L C 2.228 179.063 176.870 -0.059 0.000 1.077 172 L CA 1.367 56.163 54.840 -0.074 0.000 0.747 172 L CB -0.256 41.713 42.059 -0.149 0.000 0.896 172 L HN -0.069 nan 8.230 nan 0.000 0.432 173 V N -0.423 119.487 119.914 -0.007 0.000 2.407 173 V HA -0.301 3.824 4.120 0.007 0.000 0.248 173 V C 2.268 178.423 176.094 0.102 0.000 1.055 173 V CA 2.041 64.346 62.300 0.008 0.000 1.049 173 V CB -1.007 30.826 31.823 0.016 0.000 0.662 173 V HN 0.571 nan 8.190 nan 0.000 0.455 174 F N 2.204 122.207 119.950 0.088 0.000 2.031 174 F HA -0.001 4.530 4.527 0.005 0.000 0.295 174 F C 2.279 178.206 175.800 0.211 0.000 1.133 174 F CA 1.829 59.943 58.000 0.191 0.000 1.188 174 F CB -1.130 38.050 39.000 0.301 0.000 0.974 174 F HN 0.127 nan 8.300 nan 0.000 0.473 175 G N -0.198 108.597 108.800 -0.009 0.000 2.442 175 G HA2 -0.249 3.715 3.960 0.007 0.000 0.219 175 G HA3 -0.249 3.715 3.960 0.007 0.000 0.219 175 G C 1.785 176.508 174.900 -0.296 0.000 1.141 175 G CA 1.017 45.992 45.100 -0.210 0.000 0.763 175 G HN 0.693 nan 8.290 nan 0.000 0.554 176 A N 0.817 123.503 122.820 -0.223 0.000 1.877 176 A HA 0.006 4.330 4.320 0.007 0.000 0.216 176 A C 2.316 179.863 177.584 -0.061 0.000 1.186 176 A CA 1.920 53.832 52.037 -0.209 0.000 0.620 176 A CB -0.339 18.564 19.000 -0.163 0.000 0.822 176 A HN 0.380 nan 8.150 nan 0.000 0.443 177 K N -1.062 119.345 120.400 0.012 0.000 2.097 177 K HA -0.173 4.152 4.320 0.007 0.000 0.205 177 K C 2.335 179.052 176.600 0.195 0.000 1.050 177 K CA 1.502 57.914 56.287 0.207 0.000 0.938 177 K CB -0.105 32.519 32.500 0.205 0.000 0.718 177 K HN 0.450 nan 8.250 nan 0.000 0.442 178 Q N 0.850 120.570 119.800 -0.133 0.000 2.079 178 Q HA -0.069 4.275 4.340 0.007 0.000 0.200 178 Q C 1.885 177.758 176.000 -0.212 0.000 0.974 178 Q CA 1.765 57.390 55.803 -0.297 0.000 0.840 178 Q CB -0.230 28.145 28.738 -0.604 0.000 0.898 178 Q HN 0.316 nan 8.270 nan 0.000 0.430 179 A N -0.547 122.131 122.820 -0.236 0.000 1.902 179 A HA -0.186 4.139 4.320 0.007 0.000 0.217 179 A C 1.842 179.410 177.584 -0.027 0.000 1.181 179 A CA 1.515 53.360 52.037 -0.320 0.000 0.623 179 A CB -1.211 17.306 19.000 -0.806 0.000 0.818 179 A HN 0.717 nan 8.150 nan 0.000 0.443 180 W N 0.929 122.201 121.300 -0.048 0.000 2.381 180 W HA -0.092 4.571 4.660 0.005 0.000 0.301 180 W C 2.290 178.798 176.519 -0.019 0.000 1.205 180 W CA 1.414 58.808 57.345 0.082 0.000 1.285 180 W CB -0.664 28.848 29.460 0.086 0.000 1.133 180 W HN 0.359 nan 8.180 nan 0.000 0.521 181 R N 0.380 120.857 120.500 -0.039 0.000 2.105 181 R HA -0.192 4.153 4.340 0.007 0.000 0.239 181 R C 1.488 177.640 176.300 -0.247 0.000 1.135 181 R CA 1.824 57.699 56.100 -0.376 0.000 0.967 181 R CB -0.530 29.306 30.300 -0.773 0.000 0.861 181 R HN 0.081 nan 8.270 nan 0.000 0.442 182 N N 0.297 118.903 118.700 -0.157 0.000 2.467 182 N HA 0.026 4.770 4.740 0.007 0.000 0.184 182 N C -0.356 175.102 175.510 -0.086 0.000 1.106 182 N CA 0.634 53.604 53.050 -0.133 0.000 0.892 182 N CB 0.370 38.781 38.487 -0.126 0.000 0.969 182 N HN 0.173 nan 8.380 nan 0.000 0.454 183 A N 1.908 124.726 122.820 -0.005 0.000 2.489 183 A HA 0.194 4.518 4.320 0.007 0.000 0.289 183 A C -1.242 176.316 177.584 -0.044 0.000 1.216 183 A CA -0.859 51.177 52.037 -0.001 0.000 0.883 183 A CB 0.221 19.275 19.000 0.089 0.000 1.110 183 A HN 0.040 nan 8.150 nan 0.000 0.523 184 P HA -0.129 nan 4.420 nan 0.000 0.218 184 P C 1.140 178.370 177.300 -0.116 0.000 1.149 184 P CA 1.178 64.209 63.100 -0.116 0.000 0.817 184 P CB 0.155 31.756 31.700 -0.165 0.000 0.785 185 R N -2.120 118.259 120.500 -0.200 0.000 2.310 185 R HA 0.139 4.483 4.340 0.007 0.000 0.202 185 R C 0.376 176.635 176.300 -0.067 0.000 0.933 185 R CA -0.076 55.894 56.100 -0.216 0.000 1.054 185 R CB -0.516 29.400 30.300 -0.639 0.000 0.985 185 R HN 0.194 nan 8.270 nan 0.000 0.489 186 C N 0.684 119.954 119.300 -0.050 0.000 2.325 186 C HA 0.236 4.701 4.460 0.007 0.000 0.347 186 C C 1.829 176.779 174.990 -0.066 0.000 1.263 186 C CA -0.653 58.367 59.018 0.004 0.000 1.806 186 C CB 0.730 28.541 27.740 0.118 0.000 2.405 186 C HN 0.282 nan 8.230 nan 0.000 0.537 187 V N 5.976 125.807 119.914 -0.139 0.000 3.541 187 V HA 0.253 4.377 4.120 0.007 0.000 0.267 187 V C 1.663 177.764 176.094 0.011 0.000 1.213 187 V CA 1.828 63.943 62.300 -0.308 0.000 1.149 187 V CB -0.075 31.557 31.823 -0.319 0.000 0.822 187 V HN 1.072 nan 8.190 nan 0.000 0.462 188 G N -0.428 108.410 108.800 0.063 0.000 3.448 188 G HA2 0.084 4.048 3.960 0.007 0.000 0.261 188 G HA3 0.084 4.048 3.960 0.007 0.000 0.261 188 G C 1.118 176.050 174.900 0.054 0.000 1.173 188 G CA -0.385 44.762 45.100 0.079 0.000 0.835 188 G HN 0.436 nan 8.290 nan 0.000 0.534 189 R N -0.116 120.330 120.500 -0.089 0.000 2.357 189 R HA 0.167 4.511 4.340 0.007 0.000 0.202 189 R C 1.813 177.669 176.300 -0.740 0.000 1.047 189 R CA 0.050 55.822 56.100 -0.547 0.000 1.034 189 R CB -0.085 29.892 30.300 -0.538 0.000 0.875 189 R HN 0.425 nan 8.270 nan 0.000 0.473 190 I N 0.774 121.092 120.570 -0.419 0.000 3.001 190 I HA -0.184 3.990 4.170 0.007 0.000 0.268 190 I C 1.036 177.090 176.117 -0.106 0.000 1.267 190 I CA 1.048 62.264 61.300 -0.139 0.000 1.472 190 I CB 0.209 38.231 38.000 0.036 0.000 1.089 190 I HN 0.215 nan 8.210 nan 0.000 0.468 191 Q N 0.220 119.876 119.800 -0.239 0.000 2.282 191 Q HA -0.058 4.287 4.340 0.007 0.000 0.206 191 Q C 1.603 177.201 176.000 -0.670 0.000 0.878 191 Q CA 0.086 55.742 55.803 -0.245 0.000 0.944 191 Q CB -0.126 28.618 28.738 0.010 0.000 1.100 191 Q HN 0.748 nan 8.270 nan 0.000 0.509 192 W N 0.721 121.312 121.300 -1.183 0.000 2.296 192 W HA -0.206 4.461 4.660 0.011 0.000 0.296 192 W C 1.136 177.341 176.519 -0.522 0.000 1.220 192 W CA 1.452 57.949 57.345 -1.413 0.000 1.223 192 W CB -1.383 27.453 29.460 -1.039 0.000 1.139 192 W HN 0.072 nan 8.180 nan 0.000 0.534 193 G N 1.102 109.041 108.800 -1.435 0.000 2.421 193 G HA2 -0.194 3.770 3.960 0.007 0.000 0.217 193 G HA3 -0.194 3.770 3.960 0.007 0.000 0.217 193 G C 0.967 175.587 174.900 -0.466 0.000 1.143 193 G CA 0.104 44.505 45.100 -1.165 0.000 0.784 193 G HN 0.213 nan 8.290 nan 0.000 0.541 194 K N 0.399 120.635 120.400 -0.274 0.000 2.150 194 K HA 0.413 4.737 4.320 0.007 0.000 0.261 194 K C -1.526 175.152 176.600 0.130 0.000 1.127 194 K CA -0.423 55.838 56.287 -0.043 0.000 0.989 194 K CB 0.060 32.578 32.500 0.030 0.000 1.475 194 K HN 0.118 nan 8.250 nan 0.000 0.391 195 L N 3.001 124.272 121.223 0.081 0.000 2.476 195 L HA 0.248 4.592 4.340 0.007 0.000 0.269 195 L C -1.215 175.620 176.870 -0.059 0.000 0.965 195 L CA -0.507 54.399 54.840 0.110 0.000 0.845 195 L CB 1.914 44.114 42.059 0.236 0.000 1.259 195 L HN 0.319 nan 8.230 nan 0.000 0.403 196 Q N 3.546 123.254 119.800 -0.155 0.000 2.337 196 Q HA 0.450 4.794 4.340 0.007 0.000 0.255 196 Q C -1.502 174.113 176.000 -0.642 0.000 0.997 196 Q CA -0.108 55.429 55.803 -0.444 0.000 0.925 196 Q CB 1.037 29.420 28.738 -0.591 0.000 1.212 196 Q HN 0.511 nan 8.270 nan 0.000 0.436 197 V N 6.577 126.188 119.914 -0.504 0.000 2.320 197 V HA 0.293 4.417 4.120 0.007 0.000 0.265 197 V C -0.560 175.273 176.094 -0.434 0.000 1.048 197 V CA -0.477 61.583 62.300 -0.400 0.000 0.865 197 V CB -0.328 31.361 31.823 -0.223 0.000 1.043 197 V HN 0.613 nan 8.190 nan 0.000 0.474 198 F N 2.828 122.628 119.950 -0.249 0.000 2.413 198 F HA 0.299 4.828 4.527 0.002 0.000 0.359 198 F C 0.806 176.411 175.800 -0.325 0.000 1.122 198 F CA -0.820 57.018 58.000 -0.270 0.000 1.160 198 F CB 0.418 39.249 39.000 -0.281 0.000 1.146 198 F HN 0.401 nan 8.300 nan 0.000 0.514 199 D N 3.044 123.390 120.400 -0.089 0.000 2.343 199 D HA 0.371 5.015 4.640 0.007 0.000 0.255 199 D C 0.040 176.153 176.300 -0.311 0.000 1.187 199 D CA 0.253 54.140 54.000 -0.188 0.000 0.875 199 D CB 1.304 42.039 40.800 -0.107 0.000 1.136 199 D HN 0.661 nan 8.370 nan 0.000 0.469 200 A N 4.598 127.114 122.820 -0.507 0.000 2.594 200 A HA 0.146 4.470 4.320 0.007 0.000 0.292 200 A C 1.403 178.758 177.584 -0.381 0.000 1.026 200 A CA -0.396 51.155 52.037 -0.810 0.000 0.983 200 A CB 0.180 18.220 19.000 -1.600 0.000 1.233 200 A HN 0.553 nan 8.150 nan 0.000 0.519 201 R N 0.562 120.944 120.500 -0.197 0.000 2.316 201 R HA -0.076 4.268 4.340 0.007 0.000 0.202 201 R C 0.775 177.060 176.300 -0.025 0.000 1.029 201 R CA 1.265 57.322 56.100 -0.070 0.000 1.018 201 R CB 0.048 30.355 30.300 0.011 0.000 0.888 201 R HN 0.687 nan 8.270 nan 0.000 0.471 202 D N -0.595 119.806 120.400 0.001 0.000 2.305 202 D HA -0.076 4.568 4.640 0.007 0.000 0.206 202 D C 0.639 177.014 176.300 0.125 0.000 0.974 202 D CA -0.191 53.852 54.000 0.071 0.000 0.871 202 D CB -0.591 40.269 40.800 0.100 0.000 0.947 202 D HN -0.018 nan 8.370 nan 0.000 0.516 203 C N 1.639 121.028 119.300 0.148 0.000 2.502 203 C HA 0.249 4.713 4.460 0.007 0.000 0.404 203 C C 1.633 176.753 174.990 0.216 0.000 1.409 203 C CA 0.942 60.102 59.018 0.237 0.000 1.648 203 C CB -0.618 27.283 27.740 0.269 0.000 2.571 203 C HN 0.527 nan 8.230 nan 0.000 0.601 204 S N 2.004 117.881 115.700 0.294 0.000 2.817 204 S HA 0.289 4.763 4.470 0.007 0.000 0.262 204 S C -0.115 174.658 174.600 0.288 0.000 1.051 204 S CA 0.295 58.703 58.200 0.347 0.000 1.185 204 S CB -0.228 63.100 63.200 0.214 0.000 1.152 204 S HN 1.363 nan 8.310 nan 0.000 0.653 205 S N -0.089 115.772 115.700 0.269 0.000 2.556 205 S HA 0.828 5.302 4.470 0.007 0.000 0.271 205 S C 0.887 175.577 174.600 0.149 0.000 1.135 205 S CA -0.256 58.043 58.200 0.166 0.000 0.858 205 S CB 1.210 64.482 63.200 0.120 0.000 1.114 205 S HN 0.571 nan 8.310 nan 0.000 0.468 206 A N 1.072 123.953 122.820 0.102 0.000 1.972 206 A HA -0.092 4.232 4.320 0.007 0.000 0.219 206 A C 2.112 179.660 177.584 -0.060 0.000 1.169 206 A CA 2.170 54.254 52.037 0.079 0.000 0.635 206 A CB -1.156 17.959 19.000 0.192 0.000 0.810 206 A HN 0.934 nan 8.150 nan 0.000 0.446 207 Q N 0.147 119.984 119.800 0.061 0.000 2.084 207 Q HA -0.187 4.157 4.340 0.007 0.000 0.202 207 Q C 1.908 177.871 176.000 -0.062 0.000 0.978 207 Q CA 2.279 58.059 55.803 -0.038 0.000 0.844 207 Q CB -0.356 28.469 28.738 0.146 0.000 0.898 207 Q HN 0.745 nan 8.270 nan 0.000 0.426 208 E N -0.762 119.456 120.200 0.029 0.000 2.106 208 E HA -0.166 4.188 4.350 0.007 0.000 0.192 208 E C 1.917 178.597 176.600 0.133 0.000 0.984 208 E CA 1.129 57.567 56.400 0.064 0.000 0.806 208 E CB -0.090 29.692 29.700 0.136 0.000 0.750 208 E HN 0.468 nan 8.360 nan 0.000 0.458 209 M N -0.112 119.538 119.600 0.084 0.000 2.106 209 M HA -0.183 4.301 4.480 0.007 0.000 0.259 209 M C 2.145 178.477 176.300 0.053 0.000 1.068 209 M CA 1.375 56.683 55.300 0.014 0.000 1.100 209 M CB -0.388 32.019 32.600 -0.322 0.000 1.351 209 M HN 0.191 nan 8.290 nan 0.000 0.404 210 F N 1.307 121.057 119.950 -0.332 0.000 2.095 210 F HA -0.223 4.310 4.527 0.009 0.000 0.298 210 F C 2.306 178.005 175.800 -0.169 0.000 1.104 210 F CA 2.066 59.825 58.000 -0.402 0.000 1.232 210 F CB -0.746 37.709 39.000 -0.907 0.000 0.987 210 F HN 0.077 nan 8.300 nan 0.000 0.475 211 T N -0.585 113.829 114.554 -0.233 0.000 2.708 211 T HA -0.234 4.120 4.350 0.007 0.000 0.266 211 T C 1.720 176.270 174.700 -0.250 0.000 1.037 211 T CA 1.783 63.708 62.100 -0.293 0.000 1.146 211 T CB -0.871 67.862 68.868 -0.225 0.000 0.865 211 T HN 0.257 nan 8.240 nan 0.000 0.435 212 Y N 1.295 121.536 120.300 -0.098 0.000 2.128 212 Y HA -0.057 4.496 4.550 0.005 0.000 0.284 212 Y C 2.301 178.135 175.900 -0.109 0.000 1.154 212 Y CA 0.385 58.435 58.100 -0.083 0.000 1.149 212 Y CB -0.704 37.808 38.460 0.087 0.000 0.976 212 Y HN 0.191 nan 8.280 nan 0.000 0.505 213 I N -1.637 119.001 120.570 0.113 0.000 2.226 213 I HA -0.372 3.802 4.170 0.007 0.000 0.245 213 I C 2.305 178.344 176.117 -0.131 0.000 1.100 213 I CA 1.158 62.455 61.300 -0.005 0.000 1.374 213 I CB -0.571 37.401 38.000 -0.046 0.000 1.057 213 I HN 0.262 nan 8.210 nan 0.000 0.413 214 C N 0.595 119.706 119.300 -0.314 0.000 2.435 214 C HA -0.099 4.365 4.460 0.007 0.000 0.279 214 C C 2.598 177.486 174.990 -0.171 0.000 1.321 214 C CA 0.650 59.477 59.018 -0.319 0.000 1.752 214 C CB -1.375 26.063 27.740 -0.503 0.000 1.959 214 C HN 0.542 nan 8.230 nan 0.000 0.500 215 N N -0.060 118.534 118.700 -0.175 0.000 2.216 215 N HA -0.116 4.629 4.740 0.007 0.000 0.183 215 N C 1.459 176.877 175.510 -0.154 0.000 1.017 215 N CA 1.242 54.181 53.050 -0.184 0.000 0.861 215 N CB -0.678 37.644 38.487 -0.276 0.000 0.986 215 N HN 0.740 nan 8.380 nan 0.000 0.428 216 H N 0.872 119.801 119.070 -0.236 0.000 2.293 216 H HA 0.048 4.609 4.556 0.009 0.000 0.300 216 H C 2.151 177.508 175.328 0.048 0.000 1.082 216 H CA 1.657 57.644 56.048 -0.101 0.000 1.308 216 H CB -0.041 29.698 29.762 -0.038 0.000 1.375 216 H HN 0.068 nan 8.280 nan 0.000 0.495 217 I N 0.582 121.291 120.570 0.231 0.000 2.264 217 I HA -0.271 3.904 4.170 0.007 0.000 0.248 217 I C 2.427 178.608 176.117 0.107 0.000 1.111 217 I CA 1.368 62.754 61.300 0.143 0.000 1.382 217 I CB -0.297 37.707 38.000 0.006 0.000 1.060 217 I HN 0.332 nan 8.210 nan 0.000 0.418 218 K N 0.043 120.482 120.400 0.064 0.000 2.002 218 K HA -0.230 4.094 4.320 0.007 0.000 0.209 218 K C 2.248 178.901 176.600 0.089 0.000 1.048 218 K CA 1.802 58.118 56.287 0.048 0.000 0.930 218 K CB -0.384 32.124 32.500 0.013 0.000 0.714 218 K HN 0.220 nan 8.250 nan 0.000 0.438 219 Y N 1.277 121.590 120.300 0.023 0.000 2.089 219 Y HA -0.246 4.305 4.550 0.002 0.000 0.282 219 Y C 2.225 178.184 175.900 0.099 0.000 1.139 219 Y CA 1.651 59.797 58.100 0.077 0.000 1.123 219 Y CB -0.490 38.074 38.460 0.173 0.000 0.980 219 Y HN 0.063 nan 8.280 nan 0.000 0.493 220 A N -0.610 122.354 122.820 0.240 0.000 1.908 220 A HA -0.222 4.102 4.320 0.007 0.000 0.218 220 A C 2.191 179.819 177.584 0.073 0.000 1.181 220 A CA 2.486 54.620 52.037 0.162 0.000 0.627 220 A CB -1.383 17.793 19.000 0.293 0.000 0.818 220 A HN 0.560 nan 8.150 nan 0.000 0.445 221 T N -0.262 114.337 114.554 0.074 0.000 2.812 221 T HA -0.095 4.259 4.350 0.007 0.000 0.264 221 T C 1.145 175.840 174.700 -0.007 0.000 1.042 221 T CA 1.054 63.184 62.100 0.049 0.000 1.140 221 T CB -0.424 68.474 68.868 0.049 0.000 0.870 221 T HN 0.626 nan 8.240 nan 0.000 0.445 222 N N 1.519 120.189 118.700 -0.050 0.000 2.701 222 N HA -0.270 4.475 4.740 0.007 0.000 0.252 222 N C -0.426 175.048 175.510 -0.059 0.000 1.002 222 N CA 0.509 53.506 53.050 -0.088 0.000 0.758 222 N CB -1.272 37.112 38.487 -0.172 0.000 0.937 222 N HN 0.524 nan 8.380 nan 0.000 0.538 223 R N -2.410 118.069 120.500 -0.034 0.000 3.422 223 R HA -0.199 4.145 4.340 0.007 0.000 0.267 223 R C 1.215 177.492 176.300 -0.038 0.000 1.074 223 R CA 0.994 57.075 56.100 -0.032 0.000 0.718 223 R CB -2.112 28.167 30.300 -0.034 0.000 1.157 223 R HN 0.871 nan 8.270 nan 0.000 0.440 224 G N -0.282 108.501 108.800 -0.027 0.000 2.217 224 G HA2 -0.345 3.620 3.960 0.007 0.000 0.246 224 G HA3 -0.345 3.620 3.960 0.007 0.000 0.246 224 G C 0.020 174.892 174.900 -0.047 0.000 0.990 224 G CA 0.205 45.288 45.100 -0.029 0.000 0.627 224 G HN 0.431 nan 8.290 nan 0.000 0.522 225 N N 0.976 119.634 118.700 -0.069 0.000 3.170 225 N HA 0.455 5.199 4.740 0.007 0.000 0.305 225 N C 0.547 175.992 175.510 -0.108 0.000 1.499 225 N CA -0.543 52.441 53.050 -0.111 0.000 1.110 225 N CB -0.354 38.069 38.487 -0.106 0.000 1.390 225 N HN 0.236 nan 8.380 nan 0.000 0.508 226 L N 1.231 122.415 121.223 -0.065 0.000 2.554 226 L HA -0.008 4.337 4.340 0.007 0.000 0.293 226 L C 0.827 177.745 176.870 0.080 0.000 1.252 226 L CA 1.140 56.003 54.840 0.038 0.000 0.862 226 L CB 0.172 42.342 42.059 0.184 0.000 1.113 226 L HN 0.283 nan 8.230 nan 0.000 0.510 227 R N 1.105 121.681 120.500 0.126 0.000 2.574 227 R HA 0.424 4.768 4.340 0.007 0.000 0.288 227 R C -0.795 175.646 176.300 0.235 0.000 1.004 227 R CA -0.687 55.514 56.100 0.169 0.000 0.895 227 R CB 1.686 31.934 30.300 -0.088 0.000 1.191 227 R HN 0.586 nan 8.270 nan 0.000 0.444 228 S N 1.519 117.380 115.700 0.269 0.000 2.549 228 S HA 0.470 4.944 4.470 0.007 0.000 0.283 228 S C -0.189 174.448 174.600 0.062 0.000 1.320 228 S CA -0.248 58.009 58.200 0.095 0.000 1.058 228 S CB 1.170 64.377 63.200 0.013 0.000 0.882 228 S HN 0.708 nan 8.310 nan 0.000 0.498 229 A N 2.647 125.465 122.820 -0.003 0.000 2.612 229 A HA 0.802 5.126 4.320 0.007 0.000 0.293 229 A C -1.252 176.319 177.584 -0.021 0.000 1.075 229 A CA -0.704 51.261 52.037 -0.120 0.000 0.680 229 A CB 1.185 20.080 19.000 -0.175 0.000 1.279 229 A HN 0.832 nan 8.150 nan 0.000 0.411 230 I N 0.419 120.963 120.570 -0.044 0.000 2.722 230 I HA 0.677 4.851 4.170 0.007 0.000 0.295 230 I C -1.247 174.934 176.117 0.107 0.000 1.161 230 I CA -0.216 61.187 61.300 0.170 0.000 1.032 230 I CB 2.435 40.513 38.000 0.130 0.000 1.244 230 I HN 0.580 nan 8.210 nan 0.000 0.421 231 T N 6.408 121.057 114.554 0.158 0.000 2.809 231 T HA 0.392 4.746 4.350 0.007 0.000 0.296 231 T C -0.593 173.865 174.700 -0.403 0.000 1.015 231 T CA -0.334 61.696 62.100 -0.116 0.000 0.954 231 T CB 1.273 70.064 68.868 -0.128 0.000 0.950 231 T HN 0.286 nan 8.240 nan 0.000 0.450 232 V N 5.352 124.993 119.914 -0.455 0.000 2.368 232 V HA 0.424 4.549 4.120 0.007 0.000 0.266 232 V C -0.235 175.561 176.094 -0.496 0.000 1.045 232 V CA -0.642 61.392 62.300 -0.442 0.000 0.899 232 V CB -0.418 31.090 31.823 -0.526 0.000 1.006 232 V HN 0.682 nan 8.190 nan 0.000 0.470 233 F N 5.360 125.224 119.950 -0.143 0.000 2.375 233 F HA 0.515 5.047 4.527 0.009 0.000 0.317 233 F C -1.781 173.922 175.800 -0.161 0.000 1.124 233 F CA -2.527 55.312 58.000 -0.269 0.000 1.050 233 F CB 0.200 39.014 39.000 -0.309 0.000 1.314 233 F HN 0.291 nan 8.300 nan 0.000 0.511 234 P HA -0.026 nan 4.420 nan 0.000 0.264 234 P C -1.025 176.310 177.300 0.059 0.000 1.179 234 P CA -0.008 63.032 63.100 -0.100 0.000 0.763 234 P CB 0.196 31.730 31.700 -0.275 0.000 0.806 235 Q N 3.047 122.800 119.800 -0.078 0.000 2.382 235 Q HA 0.229 4.573 4.340 0.007 0.000 0.229 235 Q C -0.125 175.778 176.000 -0.161 0.000 1.006 235 Q CA -0.637 54.922 55.803 -0.408 0.000 0.916 235 Q CB 0.701 28.897 28.738 -0.902 0.000 1.235 235 Q HN 0.298 nan 8.270 nan 0.000 0.512 236 R N 0.130 120.514 120.500 -0.193 0.000 2.484 236 R HA 0.251 4.596 4.340 0.007 0.000 0.293 236 R C -0.941 175.300 176.300 -0.098 0.000 1.023 236 R CA 0.444 56.492 56.100 -0.087 0.000 1.037 236 R CB 0.430 30.671 30.300 -0.099 0.000 0.951 236 R HN 0.674 nan 8.270 nan 0.000 0.418 237 A N 6.592 129.393 122.820 -0.031 0.000 2.330 237 A HA 0.478 4.802 4.320 0.007 0.000 0.313 237 A C -2.298 175.279 177.584 -0.011 0.000 1.124 237 A CA -1.827 50.194 52.037 -0.026 0.000 0.774 237 A CB 1.200 20.212 19.000 0.020 0.000 1.198 237 A HN 0.488 nan 8.150 nan 0.000 0.465 238 P HA 0.157 nan 4.420 nan 0.000 0.266 238 P C 0.794 178.097 177.300 0.005 0.000 1.195 238 P CA 1.611 64.707 63.100 -0.007 0.000 0.768 238 P CB 0.617 32.314 31.700 -0.006 0.000 0.838 239 G N 1.644 110.447 108.800 0.005 0.000 2.295 239 G HA2 -0.231 3.733 3.960 0.007 0.000 0.287 239 G HA3 -0.231 3.733 3.960 0.007 0.000 0.287 239 G C 0.078 174.985 174.900 0.011 0.000 1.055 239 G CA 0.079 45.184 45.100 0.009 0.000 0.922 239 G HN 0.888 nan 8.290 nan 0.000 0.503 240 R N -0.720 119.785 120.500 0.009 0.000 2.644 240 R HA 0.491 4.835 4.340 0.007 0.000 0.257 240 R C 0.567 176.867 176.300 0.000 0.000 1.082 240 R CA 0.059 56.163 56.100 0.008 0.000 0.927 240 R CB 0.497 30.811 30.300 0.023 0.000 1.258 240 R HN 0.821 nan 8.270 nan 0.000 0.459 241 G N 1.624 110.414 108.800 -0.017 0.000 2.667 241 G HA2 0.167 4.131 3.960 0.007 0.000 0.250 241 G HA3 0.167 4.131 3.960 0.007 0.000 0.250 241 G C -0.473 174.409 174.900 -0.031 0.000 1.212 241 G CA -0.235 44.849 45.100 -0.025 0.000 0.874 241 G HN 0.547 nan 8.290 nan 0.000 0.561 242 D N -0.886 119.509 120.400 -0.008 0.000 2.294 242 D HA 0.370 5.014 4.640 0.007 0.000 0.250 242 D C -0.542 175.763 176.300 0.007 0.000 1.058 242 D CA -0.029 53.998 54.000 0.045 0.000 0.950 242 D CB 1.114 41.952 40.800 0.064 0.000 1.158 242 D HN 0.112 nan 8.370 nan 0.000 0.453 243 F N 1.295 121.276 119.950 0.052 0.000 2.411 243 F HA 0.344 4.876 4.527 0.008 0.000 0.355 243 F C 0.782 176.620 175.800 0.063 0.000 1.117 243 F CA -0.228 57.794 58.000 0.036 0.000 1.139 243 F CB 0.700 39.717 39.000 0.028 0.000 1.120 243 F HN -0.214 nan 8.300 nan 0.000 0.493 244 R N 4.357 124.990 120.500 0.222 0.000 2.673 244 R HA 0.540 4.884 4.340 0.007 0.000 0.281 244 R C -1.142 175.334 176.300 0.293 0.000 0.991 244 R CA -0.866 55.380 56.100 0.244 0.000 0.896 244 R CB 2.282 32.732 30.300 0.250 0.000 1.201 244 R HN 0.624 nan 8.270 nan 0.000 0.457 245 I N 2.185 122.908 120.570 0.255 0.000 2.328 245 I HA 0.160 4.334 4.170 0.007 0.000 0.287 245 I C 0.482 176.810 176.117 0.352 0.000 1.012 245 I CA -0.489 60.964 61.300 0.255 0.000 1.195 245 I CB 1.178 39.268 38.000 0.150 0.000 1.350 245 I HN 0.515 nan 8.210 nan 0.000 0.464 246 W N 3.559 124.918 121.300 0.097 0.000 2.374 246 W HA -0.100 4.563 4.660 0.006 0.000 0.288 246 W C 0.975 177.618 176.519 0.206 0.000 1.218 246 W CA 0.171 57.639 57.345 0.205 0.000 1.245 246 W CB -0.859 28.709 29.460 0.179 0.000 1.126 246 W HN 0.420 nan 8.180 nan 0.000 0.545 247 N N -0.100 118.776 118.700 0.294 0.000 2.482 247 N HA 0.033 4.778 4.740 0.007 0.000 0.260 247 N C 1.350 176.930 175.510 0.117 0.000 1.236 247 N CA 0.820 53.965 53.050 0.158 0.000 0.938 247 N CB 0.671 39.191 38.487 0.054 0.000 1.128 247 N HN -0.109 nan 8.380 nan 0.000 0.448 248 S N 0.443 116.198 115.700 0.093 0.000 2.395 248 S HA -0.031 4.443 4.470 0.007 0.000 0.225 248 S C 0.349 174.945 174.600 -0.005 0.000 1.027 248 S CA 0.673 58.913 58.200 0.068 0.000 0.965 248 S CB 0.029 63.290 63.200 0.101 0.000 0.812 248 S HN 0.638 nan 8.310 nan 0.000 0.482 249 Q N -0.607 119.173 119.800 -0.032 0.000 2.451 249 Q HA 0.514 4.858 4.340 0.007 0.000 0.281 249 Q C 0.333 176.244 176.000 -0.149 0.000 1.099 249 Q CA -0.549 55.189 55.803 -0.108 0.000 0.806 249 Q CB 2.011 30.704 28.738 -0.074 0.000 1.419 249 Q HN 0.142 nan 8.270 nan 0.000 0.427 250 L N 0.120 121.223 121.223 -0.199 0.000 2.131 250 L HA -0.012 4.332 4.340 0.007 0.000 0.210 250 L C 0.425 177.138 176.870 -0.262 0.000 1.092 250 L CA 0.903 55.625 54.840 -0.197 0.000 0.759 250 L CB 0.082 42.008 42.059 -0.222 0.000 0.903 250 L HN 0.270 nan 8.230 nan 0.000 0.435 251 V N 0.852 120.517 119.914 -0.414 0.000 2.407 251 V HA 0.477 4.601 4.120 0.007 0.000 0.291 251 V C -0.218 175.327 176.094 -0.915 0.000 1.018 251 V CA -0.692 61.191 62.300 -0.695 0.000 0.842 251 V CB 1.610 32.863 31.823 -0.951 0.000 0.996 251 V HN 0.177 nan 8.190 nan 0.000 0.426 252 R N 2.665 122.778 120.500 -0.644 0.000 2.774 252 R HA 0.549 4.893 4.340 0.007 0.000 0.272 252 R C -1.856 174.246 176.300 -0.330 0.000 1.000 252 R CA -0.847 55.008 56.100 -0.409 0.000 0.906 252 R CB 2.514 32.728 30.300 -0.144 0.000 1.227 252 R HN 0.550 nan 8.270 nan 0.000 0.468 253 Y N 0.157 120.467 120.300 0.017 0.000 2.323 253 Y HA 0.457 5.011 4.550 0.007 0.000 0.331 253 Y C 0.774 176.662 175.900 -0.020 0.000 1.092 253 Y CA -0.722 57.401 58.100 0.038 0.000 1.150 253 Y CB 1.484 40.039 38.460 0.158 0.000 1.200 253 Y HN 0.693 nan 8.280 nan 0.000 0.472 254 A N 1.697 124.568 122.820 0.084 0.000 2.445 254 A HA 0.542 4.866 4.320 0.007 0.000 0.242 254 A C 0.593 177.945 177.584 -0.385 0.000 1.075 254 A CA 0.267 52.187 52.037 -0.194 0.000 0.777 254 A CB -0.230 18.613 19.000 -0.262 0.000 1.013 254 A HN 0.945 nan 8.150 nan 0.000 0.493 255 G N 1.030 109.604 108.800 -0.378 0.000 2.660 255 G HA2 0.527 4.492 3.960 0.007 0.000 0.305 255 G HA3 0.527 4.492 3.960 0.007 0.000 0.305 255 G C -1.099 173.648 174.900 -0.256 0.000 1.329 255 G CA -0.255 44.673 45.100 -0.285 0.000 1.000 255 G HN 0.498 nan 8.290 nan 0.000 0.514 256 Y N 1.264 121.587 120.300 0.038 0.000 2.425 256 Y HA 0.348 4.902 4.550 0.007 0.000 0.347 256 Y C 1.056 176.960 175.900 0.008 0.000 0.976 256 Y CA -1.268 56.851 58.100 0.031 0.000 1.190 256 Y CB 1.129 39.601 38.460 0.021 0.000 1.136 256 Y HN 0.543 nan 8.280 nan 0.000 0.517 257 R N 4.091 124.685 120.500 0.157 0.000 2.357 257 R HA 0.060 4.404 4.340 0.007 0.000 0.330 257 R C 0.011 176.354 176.300 0.071 0.000 1.102 257 R CA -0.358 55.794 56.100 0.086 0.000 0.974 257 R CB 0.153 30.491 30.300 0.063 0.000 1.002 257 R HN 0.619 nan 8.270 nan 0.000 0.463 258 Q N 2.315 122.147 119.800 0.054 0.000 2.841 258 Q HA -0.130 4.214 4.340 0.007 0.000 0.198 258 Q C 0.599 176.608 176.000 0.016 0.000 1.135 258 Q CA 0.280 56.101 55.803 0.030 0.000 1.167 258 Q CB 0.388 29.138 28.738 0.020 0.000 1.288 258 Q HN 0.654 nan 8.270 nan 0.000 0.670 259 Q N 0.278 120.081 119.800 0.004 0.000 2.163 259 Q HA -0.117 4.227 4.340 0.007 0.000 0.198 259 Q C 0.813 176.813 176.000 0.001 0.000 0.954 259 Q CA 1.472 57.275 55.803 -0.001 0.000 0.851 259 Q CB 0.148 28.881 28.738 -0.009 0.000 0.928 259 Q HN 0.682 nan 8.270 nan 0.000 0.459 260 D N -2.125 118.276 120.400 0.000 0.000 2.363 260 D HA 0.091 4.736 4.640 0.007 0.000 0.226 260 D C 1.053 177.356 176.300 0.004 0.000 1.020 260 D CA 0.841 54.842 54.000 0.000 0.000 0.892 260 D CB 0.100 40.899 40.800 -0.002 0.000 0.900 260 D HN 0.335 nan 8.370 nan 0.000 0.531 261 G N -0.278 108.526 108.800 0.008 0.000 2.254 261 G HA2 -0.301 3.663 3.960 0.007 0.000 0.225 261 G HA3 -0.301 3.663 3.960 0.007 0.000 0.225 261 G C 0.686 175.593 174.900 0.013 0.000 1.003 261 G CA 0.291 45.397 45.100 0.011 0.000 0.622 261 G HN 0.793 nan 8.290 nan 0.000 0.507 262 S N -0.712 114.994 115.700 0.010 0.000 2.625 262 S HA 0.677 5.152 4.470 0.007 0.000 0.258 262 S C 0.096 174.702 174.600 0.011 0.000 1.256 262 S CA 0.288 58.492 58.200 0.007 0.000 0.983 262 S CB 1.814 65.014 63.200 0.001 0.000 1.032 262 S HN 1.212 nan 8.310 nan 0.000 0.572 263 V N 0.891 120.803 119.914 -0.003 0.000 2.569 263 V HA 0.482 4.607 4.120 0.007 0.000 0.301 263 V C -0.172 175.903 176.094 -0.031 0.000 1.044 263 V CA -0.708 61.589 62.300 -0.006 0.000 0.874 263 V CB 1.569 33.374 31.823 -0.030 0.000 1.002 263 V HN 0.896 nan 8.190 nan 0.000 0.424 264 R N 3.149 123.665 120.500 0.028 0.000 2.221 264 R HA 0.651 4.995 4.340 0.007 0.000 0.327 264 R C 0.761 177.032 176.300 -0.048 0.000 1.033 264 R CA 1.037 57.153 56.100 0.026 0.000 0.887 264 R CB 0.790 31.177 30.300 0.144 0.000 1.057 264 R HN 1.161 nan 8.270 nan 0.000 0.455 265 G N 3.137 111.814 108.800 -0.205 0.000 2.715 265 G HA2 -0.231 3.733 3.960 0.007 0.000 0.221 265 G HA3 -0.231 3.733 3.960 0.007 0.000 0.221 265 G C -1.271 173.302 174.900 -0.545 0.000 1.204 265 G CA -0.067 44.856 45.100 -0.294 0.000 1.063 265 G HN 0.609 nan 8.290 nan 0.000 0.586 266 D N 1.826 122.066 120.400 -0.266 0.000 2.441 266 D HA 0.573 5.217 4.640 0.007 0.000 0.231 266 D C -1.450 174.796 176.300 -0.090 0.000 1.073 266 D CA -1.749 52.144 54.000 -0.180 0.000 0.850 266 D CB 1.855 42.813 40.800 0.264 0.000 1.062 266 D HN -0.039 nan 8.370 nan 0.000 0.524 267 P HA -0.098 nan 4.420 nan 0.000 0.221 267 P C 0.981 178.298 177.300 0.027 0.000 1.145 267 P CA 0.822 63.902 63.100 -0.033 0.000 0.795 267 P CB 0.371 32.057 31.700 -0.024 0.000 0.775 268 A N 0.019 122.871 122.820 0.053 0.000 1.902 268 A HA -0.155 4.169 4.320 0.007 0.000 0.217 268 A C 1.720 179.361 177.584 0.094 0.000 1.181 268 A CA 1.470 53.563 52.037 0.093 0.000 0.623 268 A CB -1.114 17.959 19.000 0.123 0.000 0.818 268 A HN 0.156 nan 8.150 nan 0.000 0.443 269 N N 0.264 119.013 118.700 0.081 0.000 2.346 269 N HA 0.120 4.864 4.740 0.007 0.000 0.225 269 N C 1.046 176.566 175.510 0.017 0.000 1.144 269 N CA 0.196 53.281 53.050 0.058 0.000 0.837 269 N CB 0.545 39.068 38.487 0.059 0.000 1.069 269 N HN 0.251 nan 8.380 nan 0.000 0.487 270 V N 0.561 120.489 119.914 0.023 0.000 2.358 270 V HA -0.194 3.930 4.120 0.007 0.000 0.246 270 V C 2.396 178.499 176.094 0.016 0.000 1.047 270 V CA 1.582 63.891 62.300 0.014 0.000 1.035 270 V CB -0.217 31.620 31.823 0.025 0.000 0.658 270 V HN 0.366 nan 8.190 nan 0.000 0.452 271 E N -0.150 120.062 120.200 0.019 0.000 2.047 271 E HA -0.229 4.125 4.350 0.007 0.000 0.191 271 E C 2.147 178.684 176.600 -0.106 0.000 0.987 271 E CA 1.413 57.795 56.400 -0.029 0.000 0.799 271 E CB -0.137 29.571 29.700 0.014 0.000 0.752 271 E HN 0.467 nan 8.360 nan 0.000 0.449 272 I N 0.890 121.416 120.570 -0.074 0.000 2.286 272 I HA -0.227 3.947 4.170 0.007 0.000 0.248 272 I C 2.034 178.120 176.117 -0.051 0.000 1.115 272 I CA 1.537 62.780 61.300 -0.094 0.000 1.392 272 I CB -0.375 37.621 38.000 -0.008 0.000 1.065 272 I HN 0.112 nan 8.210 nan 0.000 0.418 273 T N 0.325 114.870 114.554 -0.015 0.000 2.708 273 T HA -0.193 4.162 4.350 0.007 0.000 0.266 273 T C 1.724 176.506 174.700 0.136 0.000 1.037 273 T CA 1.863 63.996 62.100 0.054 0.000 1.146 273 T CB -0.314 68.579 68.868 0.042 0.000 0.865 273 T HN 0.476 nan 8.240 nan 0.000 0.435 274 E N 0.578 120.825 120.200 0.079 0.000 2.204 274 E HA 0.008 4.362 4.350 0.007 0.000 0.194 274 E C 2.148 178.783 176.600 0.059 0.000 0.989 274 E CA 0.533 56.980 56.400 0.079 0.000 0.824 274 E CB -0.203 29.520 29.700 0.037 0.000 0.756 274 E HN 0.417 nan 8.360 nan 0.000 0.477 275 L N 0.044 121.273 121.223 0.009 0.000 2.109 275 L HA -0.160 4.184 4.340 0.007 0.000 0.207 275 L C 2.431 179.404 176.870 0.172 0.000 1.086 275 L CA 0.574 55.441 54.840 0.046 0.000 0.760 275 L CB -0.184 41.810 42.059 -0.109 0.000 0.910 275 L HN 0.299 nan 8.230 nan 0.000 0.437 276 C N -0.145 119.222 119.300 0.112 0.000 2.440 276 C HA -0.133 4.331 4.460 0.007 0.000 0.278 276 C C 2.699 177.863 174.990 0.290 0.000 1.295 276 C CA 0.423 59.524 59.018 0.137 0.000 1.738 276 C CB -0.547 27.186 27.740 -0.012 0.000 1.987 276 C HN 0.414 nan 8.230 nan 0.000 0.492 277 I N 0.493 121.247 120.570 0.307 0.000 2.179 277 I HA -0.275 3.899 4.170 0.007 0.000 0.242 277 I C 2.567 178.746 176.117 0.102 0.000 1.088 277 I CA 1.615 63.054 61.300 0.231 0.000 1.357 277 I CB -0.575 37.532 38.000 0.177 0.000 1.051 277 I HN 0.438 nan 8.210 nan 0.000 0.409 278 Q N -0.418 119.415 119.800 0.055 0.000 2.364 278 Q HA -0.205 4.139 4.340 0.007 0.000 0.209 278 Q C 0.865 176.732 176.000 -0.222 0.000 0.977 278 Q CA 1.116 56.870 55.803 -0.082 0.000 0.885 278 Q CB -0.126 28.543 28.738 -0.116 0.000 0.941 278 Q HN 0.620 nan 8.270 nan 0.000 0.464 279 H N -1.683 117.378 119.070 -0.014 0.000 2.507 279 H HA 0.262 4.822 4.556 0.007 0.000 0.294 279 H C 0.752 176.058 175.328 -0.038 0.000 1.064 279 H CA 0.417 56.429 56.048 -0.059 0.000 1.138 279 H CB 0.781 30.466 29.762 -0.128 0.000 1.515 279 H HN 0.345 nan 8.280 nan 0.000 0.547 280 G N -0.205 108.627 108.800 0.054 0.000 2.176 280 G HA2 -0.273 3.691 3.960 0.007 0.000 0.232 280 G HA3 -0.273 3.691 3.960 0.007 0.000 0.232 280 G C 0.023 174.986 174.900 0.107 0.000 0.986 280 G CA -0.156 44.968 45.100 0.040 0.000 0.643 280 G HN 0.375 nan 8.290 nan 0.000 0.522 281 W N 2.530 123.814 121.300 -0.028 0.000 2.216 281 W HA 0.621 5.285 4.660 0.007 0.000 0.326 281 W C 0.248 176.763 176.519 -0.006 0.000 1.319 281 W CA 0.431 57.765 57.345 -0.017 0.000 1.213 281 W CB 0.747 30.210 29.460 0.004 0.000 1.171 281 W HN 0.019 nan 8.180 nan 0.000 0.557 282 T N 9.691 123.876 114.554 -0.614 0.000 2.747 282 T HA 0.199 4.553 4.350 0.007 0.000 0.301 282 T C -2.041 171.874 174.700 -1.308 0.000 0.952 282 T CA -0.954 60.746 62.100 -0.666 0.000 0.983 282 T CB 0.438 69.090 68.868 -0.359 0.000 0.930 282 T HN 0.234 nan 8.240 nan 0.000 0.494 283 P HA 0.298 nan 4.420 nan 0.000 0.272 283 P C 0.225 177.131 177.300 -0.657 0.000 1.230 283 P CA -0.207 62.218 63.100 -1.127 0.000 0.788 283 P CB 0.932 32.331 31.700 -0.502 0.000 0.949 284 G N 0.632 109.185 108.800 -0.412 0.000 2.971 284 G HA2 0.393 4.358 3.960 0.007 0.000 0.235 284 G HA3 0.393 4.358 3.960 0.007 0.000 0.235 284 G C -0.811 173.820 174.900 -0.449 0.000 1.351 284 G CA -0.595 44.374 45.100 -0.217 0.000 1.039 284 G HN 0.569 nan 8.290 nan 0.000 0.563 285 N N -0.972 117.578 118.700 -0.251 0.000 2.700 285 N HA 0.447 5.191 4.740 0.007 0.000 0.242 285 N C -0.217 175.287 175.510 -0.010 0.000 1.541 285 N CA 0.029 52.881 53.050 -0.331 0.000 0.764 285 N CB 0.719 39.024 38.487 -0.303 0.000 1.319 285 N HN 0.790 nan 8.380 nan 0.000 0.518 286 G N -0.284 108.645 108.800 0.215 0.000 2.658 286 G HA2 0.328 4.293 3.960 0.007 0.000 0.292 286 G HA3 0.328 4.293 3.960 0.007 0.000 0.292 286 G C 0.387 175.372 174.900 0.142 0.000 1.320 286 G CA -0.553 44.641 45.100 0.157 0.000 0.933 286 G HN 0.237 nan 8.290 nan 0.000 0.476 287 R N -0.863 119.577 120.500 -0.099 0.000 2.093 287 R HA 0.052 4.396 4.340 0.007 0.000 0.224 287 R C 0.189 176.163 176.300 -0.544 0.000 1.101 287 R CA 0.997 56.860 56.100 -0.394 0.000 0.979 287 R CB -0.048 29.786 30.300 -0.776 0.000 0.877 287 R HN 0.388 nan 8.270 nan 0.000 0.441 288 F N 1.462 121.370 119.950 -0.070 0.000 2.848 288 F HA 0.254 4.785 4.527 0.007 0.000 0.321 288 F C -0.587 175.192 175.800 -0.035 0.000 1.281 288 F CA -1.152 56.594 58.000 -0.422 0.000 1.209 288 F CB 0.195 38.844 39.000 -0.585 0.000 1.152 288 F HN -0.299 nan 8.300 nan 0.000 0.521 289 D N 1.043 121.619 120.400 0.293 0.000 2.249 289 D HA 0.233 4.877 4.640 0.007 0.000 0.246 289 D C 0.132 176.683 176.300 0.419 0.000 1.114 289 D CA -0.044 54.186 54.000 0.383 0.000 0.854 289 D CB 2.258 43.337 40.800 0.464 0.000 1.132 289 D HN -0.079 nan 8.370 nan 0.000 0.461 290 V N 3.374 123.486 119.914 0.330 0.000 2.572 290 V HA 0.085 4.209 4.120 0.007 0.000 0.291 290 V C 0.903 176.981 176.094 -0.027 0.000 1.039 290 V CA -0.445 61.923 62.300 0.113 0.000 1.055 290 V CB 0.559 32.396 31.823 0.023 0.000 0.969 290 V HN 0.343 nan 8.190 nan 0.000 0.482 291 L N 7.515 128.626 121.223 -0.187 0.000 2.418 291 L HA 0.414 4.758 4.340 0.007 0.000 0.265 291 L C -1.829 174.802 176.870 -0.399 0.000 1.143 291 L CA -1.433 53.153 54.840 -0.423 0.000 0.809 291 L CB 1.240 43.084 42.059 -0.359 0.000 1.124 291 L HN 0.495 nan 8.230 nan 0.000 0.456 292 P HA 0.277 nan 4.420 nan 0.000 0.282 292 P C -1.145 176.018 177.300 -0.229 0.000 1.259 292 P CA -0.589 62.290 63.100 -0.367 0.000 0.826 292 P CB 1.192 32.564 31.700 -0.547 0.000 1.064 293 L N 1.700 122.889 121.223 -0.056 0.000 2.371 293 L HA 0.293 4.638 4.340 0.007 0.000 0.272 293 L C 0.583 177.463 176.870 0.017 0.000 1.124 293 L CA -0.702 54.154 54.840 0.026 0.000 0.816 293 L CB 0.327 42.480 42.059 0.156 0.000 1.129 293 L HN 0.242 nan 8.230 nan 0.000 0.448 294 L N 4.735 125.955 121.223 -0.005 0.000 2.435 294 L HA 0.425 4.769 4.340 0.007 0.000 0.253 294 L C -0.482 176.333 176.870 -0.092 0.000 1.087 294 L CA 0.063 54.821 54.840 -0.136 0.000 0.950 294 L CB 0.523 42.452 42.059 -0.216 0.000 1.304 294 L HN 0.389 nan 8.230 nan 0.000 0.453 295 L N 2.756 124.006 121.223 0.045 0.000 2.326 295 L HA 0.496 4.841 4.340 0.007 0.000 0.278 295 L C 0.087 176.943 176.870 -0.023 0.000 1.092 295 L CA -0.167 54.713 54.840 0.067 0.000 0.810 295 L CB 1.174 43.301 42.059 0.114 0.000 1.153 295 L HN 0.521 nan 8.230 nan 0.000 0.439 296 Q N 2.315 122.113 119.800 -0.002 0.000 2.337 296 Q HA 0.713 5.058 4.340 0.007 0.000 0.270 296 Q C -1.341 174.606 176.000 -0.088 0.000 1.043 296 Q CA -0.619 55.162 55.803 -0.037 0.000 0.794 296 Q CB 2.295 31.083 28.738 0.084 0.000 1.281 296 Q HN 0.784 nan 8.270 nan 0.000 0.446 297 A N 4.425 127.134 122.820 -0.186 0.000 2.281 297 A HA 0.747 5.071 4.320 0.007 0.000 0.329 297 A C -2.519 174.799 177.584 -0.443 0.000 1.122 297 A CA -1.865 49.889 52.037 -0.471 0.000 0.850 297 A CB 0.507 19.339 19.000 -0.280 0.000 1.207 297 A HN 0.630 nan 8.150 nan 0.000 0.495 298 P HA 0.045 nan 4.420 nan 0.000 0.258 298 P C -0.652 176.555 177.300 -0.155 0.000 1.172 298 P CA 0.972 63.874 63.100 -0.329 0.000 0.762 298 P CB 0.093 31.611 31.700 -0.303 0.000 0.764 299 D N 0.081 120.431 120.400 -0.084 0.000 3.077 299 D HA -0.193 4.451 4.640 0.007 0.000 0.217 299 D C -0.191 176.093 176.300 -0.026 0.000 1.162 299 D CA 1.248 55.227 54.000 -0.034 0.000 0.943 299 D CB -0.861 39.923 40.800 -0.026 0.000 1.122 299 D HN 0.556 nan 8.370 nan 0.000 0.413 300 E N -0.202 119.971 120.200 -0.046 0.000 2.221 300 E HA 0.653 5.008 4.350 0.007 0.000 0.268 300 E C 0.045 176.625 176.600 -0.033 0.000 0.933 300 E CA -0.712 55.665 56.400 -0.039 0.000 0.809 300 E CB 1.640 31.305 29.700 -0.058 0.000 1.190 300 E HN 0.178 nan 8.360 nan 0.000 0.406 301 A N 2.995 125.794 122.820 -0.034 0.000 2.406 301 A HA 0.295 4.619 4.320 0.007 0.000 0.243 301 A C -2.069 175.406 177.584 -0.182 0.000 1.082 301 A CA -0.986 51.013 52.037 -0.062 0.000 0.786 301 A CB -0.368 18.617 19.000 -0.024 0.000 1.029 301 A HN 0.371 nan 8.150 nan 0.000 0.495 302 P HA 0.208 nan 4.420 nan 0.000 0.271 302 P C -0.754 176.301 177.300 -0.409 0.000 1.216 302 P CA 0.115 62.879 63.100 -0.559 0.000 0.776 302 P CB 0.739 31.661 31.700 -1.295 0.000 0.881 303 E N 1.114 121.153 120.200 -0.269 0.000 2.191 303 E HA 0.414 4.769 4.350 0.007 0.000 0.274 303 E C -0.678 175.642 176.600 -0.466 0.000 0.948 303 E CA -1.038 55.165 56.400 -0.328 0.000 0.802 303 E CB 1.369 30.915 29.700 -0.257 0.000 1.137 303 E HN 0.297 nan 8.360 nan 0.000 0.397 304 L N 3.217 124.075 121.223 -0.610 0.000 2.292 304 L HA 0.445 4.789 4.340 0.007 0.000 0.284 304 L C -1.558 174.779 176.870 -0.888 0.000 1.065 304 L CA 0.144 54.671 54.840 -0.523 0.000 0.806 304 L CB 0.184 42.071 42.059 -0.287 0.000 1.175 304 L HN 0.410 nan 8.230 nan 0.000 0.431 305 F N 3.816 123.599 119.950 -0.279 0.000 2.556 305 F HA 0.539 5.071 4.527 0.008 0.000 0.314 305 F C -0.411 175.206 175.800 -0.305 0.000 1.106 305 F CA -0.873 56.837 58.000 -0.483 0.000 0.911 305 F CB 2.007 40.490 39.000 -0.861 0.000 1.190 305 F HN 0.009 nan 8.300 nan 0.000 0.448 306 V N 4.558 124.411 119.914 -0.102 0.000 2.370 306 V HA 0.346 4.471 4.120 0.007 0.000 0.283 306 V C -0.026 176.181 176.094 0.189 0.000 1.023 306 V CA -0.785 61.537 62.300 0.038 0.000 0.857 306 V CB 1.415 33.276 31.823 0.063 0.000 0.985 306 V HN 0.529 nan 8.190 nan 0.000 0.443 307 L N 7.459 128.816 121.223 0.223 0.000 2.410 307 L HA 0.274 4.618 4.340 0.007 0.000 0.273 307 L C -2.098 174.873 176.870 0.168 0.000 1.152 307 L CA -1.274 53.718 54.840 0.253 0.000 0.855 307 L CB 0.264 42.396 42.059 0.121 0.000 1.129 307 L HN 0.430 nan 8.230 nan 0.000 0.463 308 P HA 0.071 nan 4.420 nan 0.000 0.266 308 P C -1.999 175.345 177.300 0.074 0.000 1.215 308 P CA -0.919 62.247 63.100 0.111 0.000 0.763 308 P CB 0.464 32.221 31.700 0.094 0.000 0.806 309 P HA -0.258 nan 4.420 nan 0.000 0.218 309 P C 1.368 178.694 177.300 0.044 0.000 1.150 309 P CA 1.391 64.528 63.100 0.061 0.000 0.841 309 P CB -0.128 31.613 31.700 0.067 0.000 0.784 310 E N -0.183 120.040 120.200 0.038 0.000 2.268 310 E HA -0.122 4.232 4.350 0.007 0.000 0.195 310 E C 1.764 178.374 176.600 0.017 0.000 0.995 310 E CA 0.995 57.410 56.400 0.025 0.000 0.836 310 E CB -1.059 28.654 29.700 0.022 0.000 0.763 310 E HN 0.311 nan 8.360 nan 0.000 0.491 311 L N 1.085 122.317 121.223 0.016 0.000 2.313 311 L HA 0.060 4.405 4.340 0.007 0.000 0.214 311 L C 0.837 177.708 176.870 0.001 0.000 1.119 311 L CA 0.200 55.042 54.840 0.002 0.000 0.809 311 L CB 0.311 42.362 42.059 -0.013 0.000 0.933 311 L HN -0.084 nan 8.230 nan 0.000 0.449 312 V N 2.243 122.160 119.914 0.006 0.000 2.284 312 V HA 0.129 4.253 4.120 0.007 0.000 0.260 312 V C 0.088 176.195 176.094 0.021 0.000 1.084 312 V CA -0.524 61.775 62.300 -0.001 0.000 0.894 312 V CB 0.943 32.755 31.823 -0.018 0.000 1.119 312 V HN 0.066 nan 8.190 nan 0.000 0.484 313 L N 5.145 126.385 121.223 0.028 0.000 2.410 313 L HA 0.400 4.744 4.340 0.007 0.000 0.273 313 L C 0.185 177.082 176.870 0.045 0.000 1.152 313 L CA 0.913 55.768 54.840 0.025 0.000 0.855 313 L CB 0.361 42.430 42.059 0.016 0.000 1.129 313 L HN 0.633 nan 8.230 nan 0.000 0.463 314 E N 3.052 123.261 120.200 0.015 0.000 2.359 314 E HA 0.660 5.014 4.350 0.007 0.000 0.266 314 E C -1.520 175.026 176.600 -0.091 0.000 0.920 314 E CA -1.027 55.381 56.400 0.014 0.000 0.788 314 E CB 2.389 32.122 29.700 0.056 0.000 1.279 314 E HN 0.391 nan 8.360 nan 0.000 0.438 315 V N 2.192 122.021 119.914 -0.142 0.000 2.443 315 V HA 0.331 4.455 4.120 0.007 0.000 0.293 315 V C -2.530 173.489 176.094 -0.124 0.000 1.021 315 V CA -2.017 60.131 62.300 -0.252 0.000 0.848 315 V CB 1.364 32.767 31.823 -0.700 0.000 0.998 315 V HN 0.529 nan 8.190 nan 0.000 0.424 316 P HA 0.336 nan 4.420 nan 0.000 0.282 316 P C -0.500 176.809 177.300 0.014 0.000 1.262 316 P CA -0.147 62.930 63.100 -0.040 0.000 0.773 316 P CB 0.594 32.282 31.700 -0.020 0.000 0.879 317 L N 4.169 125.436 121.223 0.074 0.000 2.331 317 L HA 0.396 4.740 4.340 0.007 0.000 0.278 317 L C 1.096 178.110 176.870 0.240 0.000 1.106 317 L CA 0.099 55.037 54.840 0.164 0.000 0.824 317 L CB 0.237 42.447 42.059 0.251 0.000 1.142 317 L HN 0.477 nan 8.230 nan 0.000 0.443 318 E N 1.722 122.028 120.200 0.176 0.000 2.429 318 E HA 0.400 4.754 4.350 0.007 0.000 0.276 318 E C -1.341 175.235 176.600 -0.039 0.000 0.953 318 E CA -0.968 55.539 56.400 0.179 0.000 0.787 318 E CB 2.057 31.854 29.700 0.162 0.000 1.307 318 E HN 0.476 nan 8.360 nan 0.000 0.458 319 H N 1.318 120.230 119.070 -0.263 0.000 2.479 319 H HA 0.235 4.795 4.556 0.007 0.000 0.335 319 H C -1.704 173.293 175.328 -0.551 0.000 1.142 319 H CA -2.259 53.485 56.048 -0.507 0.000 1.234 319 H CB 2.041 31.463 29.762 -0.567 0.000 1.503 319 H HN 0.441 nan 8.280 nan 0.000 0.510 320 P HA -0.089 nan 4.420 nan 0.000 0.223 320 P C 0.822 177.933 177.300 -0.316 0.000 1.151 320 P CA 1.314 63.901 63.100 -0.856 0.000 0.787 320 P CB 0.555 31.777 31.700 -0.797 0.000 0.788 321 T N -4.005 110.516 114.554 -0.055 0.000 3.115 321 T HA 0.178 4.532 4.350 0.007 0.000 0.256 321 T C 0.896 175.564 174.700 -0.053 0.000 0.970 321 T CA -0.238 61.863 62.100 0.001 0.000 1.010 321 T CB -0.609 68.281 68.868 0.037 0.000 1.151 321 T HN -0.078 nan 8.240 nan 0.000 0.479 322 L N 3.052 124.194 121.223 -0.135 0.000 2.462 322 L HA 0.329 4.673 4.340 0.007 0.000 0.283 322 L C 1.248 177.784 176.870 -0.557 0.000 1.166 322 L CA -0.196 54.282 54.840 -0.603 0.000 0.964 322 L CB 0.169 41.483 42.059 -1.242 0.000 1.294 322 L HN 0.320 nan 8.230 nan 0.000 0.449 323 E N 3.120 123.147 120.200 -0.288 0.000 2.267 323 E HA -0.209 4.145 4.350 0.007 0.000 0.197 323 E C 1.524 178.109 176.600 -0.026 0.000 0.998 323 E CA 1.425 57.764 56.400 -0.102 0.000 0.830 323 E CB 0.025 29.728 29.700 0.005 0.000 0.751 323 E HN 0.834 nan 8.360 nan 0.000 0.491 324 W N -0.383 120.971 121.300 0.090 0.000 2.800 324 W HA 0.030 4.695 4.660 0.007 0.000 0.249 324 W C 1.360 177.929 176.519 0.084 0.000 1.294 324 W CA -0.331 57.053 57.345 0.065 0.000 1.402 324 W CB -0.708 28.767 29.460 0.024 0.000 1.126 324 W HN -0.073 nan 8.180 nan 0.000 0.652 325 F N 2.960 122.745 119.950 -0.275 0.000 2.171 325 F HA -0.097 4.434 4.527 0.007 0.000 0.300 325 F C 2.680 178.529 175.800 0.082 0.000 1.090 325 F CA 2.566 60.502 58.000 -0.106 0.000 1.293 325 F CB -0.649 38.146 39.000 -0.341 0.000 1.013 325 F HN -0.075 nan 8.300 nan 0.000 0.486 326 A N 0.201 123.177 122.820 0.261 0.000 1.908 326 A HA -0.135 4.189 4.320 0.007 0.000 0.218 326 A C 2.333 180.009 177.584 0.154 0.000 1.181 326 A CA 1.741 53.899 52.037 0.202 0.000 0.627 326 A CB -1.546 17.538 19.000 0.140 0.000 0.818 326 A HN 0.408 nan 8.150 nan 0.000 0.445 327 A N -1.252 121.661 122.820 0.155 0.000 2.225 327 A HA 0.099 4.423 4.320 0.007 0.000 0.215 327 A C 1.710 179.357 177.584 0.105 0.000 1.164 327 A CA 1.198 53.312 52.037 0.128 0.000 0.710 327 A CB -0.409 18.676 19.000 0.142 0.000 0.780 327 A HN 0.373 nan 8.150 nan 0.000 0.473 328 L N -1.042 120.233 121.223 0.085 0.000 2.478 328 L HA 0.143 4.487 4.340 0.007 0.000 0.223 328 L C 1.799 178.728 176.870 0.099 0.000 1.140 328 L CA 1.071 55.935 54.840 0.040 0.000 0.842 328 L CB -1.099 40.893 42.059 -0.111 0.000 0.953 328 L HN 0.630 nan 8.230 nan 0.000 0.452 329 G N -0.009 108.860 108.800 0.116 0.000 2.273 329 G HA2 -0.287 3.677 3.960 0.007 0.000 0.280 329 G HA3 -0.287 3.677 3.960 0.007 0.000 0.280 329 G C 0.228 175.244 174.900 0.194 0.000 1.047 329 G CA 0.356 45.546 45.100 0.149 0.000 0.869 329 G HN 0.307 nan 8.290 nan 0.000 0.502 330 L N -0.345 120.947 121.223 0.115 0.000 2.357 330 L HA 0.863 5.207 4.340 0.007 0.000 0.273 330 L C 1.008 177.723 176.870 -0.258 0.000 1.080 330 L CA -0.892 53.950 54.840 0.003 0.000 0.803 330 L CB 1.194 43.351 42.059 0.163 0.000 1.174 330 L HN 0.547 nan 8.230 nan 0.000 0.443 331 R N 1.423 121.505 120.500 -0.697 0.000 2.712 331 R HA 0.492 4.837 4.340 0.007 0.000 0.272 331 R C -2.144 174.031 176.300 -0.208 0.000 1.032 331 R CA -1.026 54.819 56.100 -0.424 0.000 0.874 331 R CB 1.809 31.825 30.300 -0.475 0.000 1.256 331 R HN 0.603 nan 8.270 nan 0.000 0.468 332 W N 1.654 122.875 121.300 -0.130 0.000 3.167 332 W HA 0.342 5.006 4.660 0.006 0.000 0.324 332 W C -1.194 175.399 176.519 0.124 0.000 1.230 332 W CA -1.001 56.362 57.345 0.031 0.000 1.184 332 W CB 2.084 31.502 29.460 -0.069 0.000 1.414 332 W HN 0.684 nan 8.180 nan 0.000 0.551 333 Y N 1.168 121.396 120.300 -0.120 0.000 2.346 333 Y HA 0.514 5.068 4.550 0.007 0.000 0.330 333 Y C 0.802 176.929 175.900 0.379 0.000 1.178 333 Y CA 0.079 58.187 58.100 0.013 0.000 1.331 333 Y CB 0.373 38.698 38.460 -0.225 0.000 1.253 333 Y HN 0.368 nan 8.280 nan 0.000 0.529 334 A N 3.245 126.319 122.820 0.423 0.000 2.066 334 A HA 0.020 4.344 4.320 0.007 0.000 0.218 334 A C 0.527 178.401 177.584 0.483 0.000 1.157 334 A CA 0.443 52.776 52.037 0.494 0.000 0.670 334 A CB -0.334 18.801 19.000 0.224 0.000 0.804 334 A HN 0.701 nan 8.150 nan 0.000 0.453 335 L N 1.746 123.212 121.223 0.404 0.000 2.262 335 L HA 0.426 4.770 4.340 0.007 0.000 0.288 335 L C -2.583 174.379 176.870 0.155 0.000 1.035 335 L CA -2.193 52.779 54.840 0.220 0.000 0.820 335 L CB 1.663 43.800 42.059 0.130 0.000 1.204 335 L HN -0.045 nan 8.230 nan 0.000 0.424 336 P HA 0.337 nan 4.420 nan 0.000 0.295 336 P C -1.424 175.759 177.300 -0.195 0.000 1.354 336 P CA -0.377 62.564 63.100 -0.265 0.000 0.814 336 P CB 1.433 32.605 31.700 -0.880 0.000 0.935 337 A N 4.673 127.384 122.820 -0.183 0.000 2.646 337 A HA 0.385 4.709 4.320 0.007 0.000 0.312 337 A C -0.023 177.302 177.584 -0.432 0.000 1.245 337 A CA -0.642 51.202 52.037 -0.321 0.000 0.755 337 A CB 0.490 19.317 19.000 -0.289 0.000 1.132 337 A HN 0.299 nan 8.150 nan 0.000 0.458 338 V N 2.372 121.867 119.914 -0.698 0.000 2.694 338 V HA 0.166 4.290 4.120 0.007 0.000 0.306 338 V C 1.285 176.984 176.094 -0.658 0.000 1.054 338 V CA 1.523 63.408 62.300 -0.692 0.000 1.161 338 V CB 1.081 32.336 31.823 -0.948 0.000 0.916 338 V HN 1.108 nan 8.190 nan 0.000 0.490 339 S N 1.092 116.609 115.700 -0.305 0.000 2.817 339 S HA 0.053 4.528 4.470 0.007 0.000 0.262 339 S C 0.783 175.373 174.600 -0.017 0.000 1.051 339 S CA 0.063 58.171 58.200 -0.152 0.000 1.185 339 S CB -0.398 62.742 63.200 -0.098 0.000 1.152 339 S HN 0.910 nan 8.310 nan 0.000 0.653 340 N N 0.527 119.222 118.700 -0.008 0.000 2.236 340 N HA 0.278 5.022 4.740 0.007 0.000 0.196 340 N C 0.298 175.861 175.510 0.088 0.000 1.114 340 N CA -0.465 52.616 53.050 0.051 0.000 0.859 340 N CB -0.004 38.515 38.487 0.054 0.000 0.982 340 N HN 0.257 nan 8.380 nan 0.000 0.493 341 M N 1.658 121.320 119.600 0.104 0.000 2.235 341 M HA 0.203 4.687 4.480 0.007 0.000 0.351 341 M C -0.376 176.063 176.300 0.232 0.000 1.178 341 M CA -0.598 54.806 55.300 0.173 0.000 1.143 341 M CB 2.045 34.772 32.600 0.212 0.000 1.530 341 M HN 0.195 nan 8.290 nan 0.000 0.461 342 L N 4.055 125.393 121.223 0.192 0.000 2.305 342 L HA 0.433 4.777 4.340 0.007 0.000 0.281 342 L C -1.104 175.881 176.870 0.192 0.000 1.085 342 L CA -0.725 54.221 54.840 0.177 0.000 0.813 342 L CB 0.809 42.928 42.059 0.101 0.000 1.157 342 L HN 0.597 nan 8.230 nan 0.000 0.436 343 L N 5.445 126.776 121.223 0.181 0.000 2.272 343 L HA 0.448 4.792 4.340 0.007 0.000 0.289 343 L C -0.509 176.382 176.870 0.035 0.000 1.032 343 L CA 0.235 55.073 54.840 -0.003 0.000 0.810 343 L CB 1.099 43.130 42.059 -0.047 0.000 1.205 343 L HN 0.648 nan 8.230 nan 0.000 0.422 344 E N 6.568 126.708 120.200 -0.100 0.000 2.145 344 E HA 0.417 4.772 4.350 0.007 0.000 0.270 344 E C -1.575 174.937 176.600 -0.147 0.000 0.906 344 E CA -0.437 55.920 56.400 -0.072 0.000 0.761 344 E CB 1.175 30.834 29.700 -0.070 0.000 1.116 344 E HN 0.711 nan 8.360 nan 0.000 0.408 345 I N 2.576 123.063 120.570 -0.138 0.000 2.500 345 I HA 0.250 4.424 4.170 0.007 0.000 0.286 345 I C 0.812 176.725 176.117 -0.339 0.000 1.063 345 I CA -0.715 60.373 61.300 -0.353 0.000 1.062 345 I CB 1.981 39.717 38.000 -0.440 0.000 1.223 345 I HN 0.796 nan 8.210 nan 0.000 0.435 346 G N 4.154 112.791 108.800 -0.272 0.000 2.321 346 G HA2 -0.150 3.814 3.960 0.007 0.000 0.287 346 G HA3 -0.150 3.814 3.960 0.007 0.000 0.287 346 G C 1.028 176.008 174.900 0.133 0.000 1.018 346 G CA 0.857 45.999 45.100 0.071 0.000 0.855 346 G HN 1.576 nan 8.290 nan 0.000 0.507 347 G N -2.024 106.794 108.800 0.030 0.000 2.213 347 G HA2 -0.223 3.741 3.960 0.007 0.000 0.236 347 G HA3 -0.223 3.741 3.960 0.007 0.000 0.236 347 G C 0.458 175.322 174.900 -0.060 0.000 0.991 347 G CA 0.336 45.452 45.100 0.026 0.000 0.629 347 G HN 1.247 nan 8.290 nan 0.000 0.517 348 L N 1.234 122.368 121.223 -0.148 0.000 2.326 348 L HA 0.524 4.868 4.340 0.007 0.000 0.278 348 L C 0.235 176.911 176.870 -0.323 0.000 1.092 348 L CA -0.366 54.277 54.840 -0.329 0.000 0.810 348 L CB 1.079 42.830 42.059 -0.513 0.000 1.153 348 L HN 0.211 nan 8.230 nan 0.000 0.439 349 E N 3.310 123.280 120.200 -0.384 0.000 2.133 349 E HA 0.327 4.681 4.350 0.007 0.000 0.274 349 E C -1.344 175.026 176.600 -0.384 0.000 0.930 349 E CA -0.374 55.873 56.400 -0.256 0.000 0.770 349 E CB 1.418 31.037 29.700 -0.134 0.000 1.104 349 E HN 0.295 nan 8.360 nan 0.000 0.403 350 F N 2.177 122.100 119.950 -0.045 0.000 2.300 350 F HA 0.079 4.611 4.527 0.008 0.000 0.364 350 F C 1.602 177.438 175.800 0.060 0.000 1.090 350 F CA -0.481 57.518 58.000 -0.001 0.000 1.200 350 F CB 0.817 39.798 39.000 -0.031 0.000 1.493 350 F HN 0.454 nan 8.300 nan 0.000 0.518 351 S N 1.190 116.994 115.700 0.174 0.000 2.462 351 S HA 0.005 4.479 4.470 0.007 0.000 0.243 351 S C 0.805 175.534 174.600 0.215 0.000 1.003 351 S CA 0.590 58.888 58.200 0.164 0.000 0.970 351 S CB -0.121 63.153 63.200 0.123 0.000 0.762 351 S HN 0.491 nan 8.310 nan 0.000 0.510 352 A N 0.071 123.067 122.820 0.293 0.000 2.446 352 A HA 0.822 5.146 4.320 0.007 0.000 0.282 352 A C -0.267 177.558 177.584 0.401 0.000 1.102 352 A CA -0.160 52.076 52.037 0.332 0.000 0.737 352 A CB 1.206 20.408 19.000 0.337 0.000 1.212 352 A HN 1.225 nan 8.150 nan 0.000 0.434 353 A N 3.949 126.954 122.820 0.310 0.000 3.208 353 A HA 0.598 4.923 4.320 0.007 0.000 0.252 353 A C -3.075 174.640 177.584 0.218 0.000 1.225 353 A CA -0.740 51.427 52.037 0.218 0.000 0.980 353 A CB 0.280 19.389 19.000 0.182 0.000 1.414 353 A HN 0.528 nan 8.150 nan 0.000 0.721 354 P HA 0.385 nan 4.420 nan 0.000 0.265 354 P C -0.619 176.700 177.300 0.032 0.000 1.193 354 P CA 0.518 63.581 63.100 -0.061 0.000 0.765 354 P CB 0.203 31.817 31.700 -0.144 0.000 0.823 355 F N 0.001 119.890 119.950 -0.102 0.000 2.593 355 F HA 0.814 5.344 4.527 0.006 0.000 0.320 355 F C -0.406 175.305 175.800 -0.148 0.000 1.060 355 F CA -1.180 56.756 58.000 -0.107 0.000 0.940 355 F CB 1.691 40.497 39.000 -0.323 0.000 1.268 355 F HN 0.438 nan 8.300 nan 0.000 0.475 356 S N -0.134 115.634 115.700 0.114 0.000 2.547 356 S HA 0.890 5.364 4.470 0.007 0.000 0.270 356 S C -0.846 173.718 174.600 -0.059 0.000 1.150 356 S CA -0.160 58.039 58.200 -0.001 0.000 0.850 356 S CB 1.356 64.615 63.200 0.099 0.000 1.118 356 S HN 1.528 nan 8.310 nan 0.000 0.461 357 G N 0.156 108.883 108.800 -0.121 0.000 3.418 357 G HA2 0.738 4.702 3.960 0.007 0.000 0.179 357 G HA3 0.738 4.702 3.960 0.007 0.000 0.179 357 G C -1.531 173.414 174.900 0.076 0.000 1.212 357 G CA -0.187 44.807 45.100 -0.177 0.000 0.935 357 G HN 1.277 nan 8.290 nan 0.000 0.716 358 W N -1.273 120.008 121.300 -0.033 0.000 3.083 358 W HA 0.811 5.475 4.660 0.005 0.000 0.333 358 W C -1.698 174.813 176.519 -0.013 0.000 1.217 358 W CA -2.001 55.337 57.345 -0.013 0.000 1.170 358 W CB 0.500 29.998 29.460 0.063 0.000 1.437 358 W HN 0.395 nan 8.180 nan 0.000 0.557 359 Y N 2.827 123.294 120.300 0.278 0.000 2.379 359 Y HA 0.295 4.850 4.550 0.008 0.000 0.337 359 Y C 0.894 176.839 175.900 0.076 0.000 1.238 359 Y CA -0.850 57.302 58.100 0.086 0.000 1.405 359 Y CB 1.035 39.465 38.460 -0.051 0.000 1.310 359 Y HN 0.476 nan 8.280 nan 0.000 0.569 360 M N 1.706 121.435 119.600 0.215 0.000 2.300 360 M HA 0.225 4.709 4.480 0.007 0.000 0.348 360 M C 1.126 177.404 176.300 -0.035 0.000 1.151 360 M CA -0.328 55.029 55.300 0.095 0.000 1.046 360 M CB 1.393 34.031 32.600 0.063 0.000 1.647 360 M HN 0.848 nan 8.290 nan 0.000 0.451 361 S N 1.675 117.325 115.700 -0.084 0.000 2.380 361 S HA -0.217 4.257 4.470 0.007 0.000 0.229 361 S C 1.500 175.962 174.600 -0.230 0.000 1.043 361 S CA 2.424 60.508 58.200 -0.193 0.000 1.038 361 S CB -1.413 61.720 63.200 -0.111 0.000 0.872 361 S HN 0.948 nan 8.310 nan 0.000 0.456 362 T N -0.372 114.079 114.554 -0.171 0.000 2.929 362 T HA -0.005 4.350 4.350 0.007 0.000 0.271 362 T C 1.565 176.106 174.700 -0.265 0.000 1.085 362 T CA 1.242 63.197 62.100 -0.243 0.000 1.125 362 T CB -0.621 68.075 68.868 -0.286 0.000 0.874 362 T HN 0.647 nan 8.240 nan 0.000 0.494 363 E N 0.704 120.752 120.200 -0.253 0.000 2.110 363 E HA -0.009 4.345 4.350 0.007 0.000 0.193 363 E C 1.969 178.257 176.600 -0.521 0.000 0.988 363 E CA 1.251 57.487 56.400 -0.273 0.000 0.804 363 E CB -0.202 29.435 29.700 -0.105 0.000 0.745 363 E HN 0.609 nan 8.360 nan 0.000 0.458 364 I N -0.083 120.052 120.570 -0.726 0.000 2.522 364 I HA -0.017 4.157 4.170 0.007 0.000 0.240 364 I C 2.523 178.262 176.117 -0.632 0.000 1.078 364 I CA 0.760 61.460 61.300 -1.000 0.000 1.422 364 I CB -0.448 36.879 38.000 -1.121 0.000 1.188 364 I HN 0.076 nan 8.210 nan 0.000 0.442 365 G N -0.052 108.488 108.800 -0.433 0.000 2.498 365 G HA2 -0.133 3.831 3.960 0.007 0.000 0.219 365 G HA3 -0.133 3.831 3.960 0.007 0.000 0.219 365 G C 1.438 176.222 174.900 -0.194 0.000 1.119 365 G CA 1.502 46.450 45.100 -0.254 0.000 0.766 365 G HN 0.329 nan 8.290 nan 0.000 0.552 366 T N -0.829 113.584 114.554 -0.235 0.000 3.182 366 T HA 0.134 4.488 4.350 0.007 0.000 0.244 366 T C 2.405 177.000 174.700 -0.175 0.000 0.981 366 T CA -0.166 61.824 62.100 -0.184 0.000 1.182 366 T CB 0.198 68.942 68.868 -0.206 0.000 1.043 366 T HN -0.017 nan 8.240 nan 0.000 0.424 367 R N 2.198 122.571 120.500 -0.212 0.000 2.057 367 R HA 0.155 4.499 4.340 0.007 0.000 0.229 367 R C 2.067 178.256 176.300 -0.185 0.000 1.136 367 R CA 1.127 57.116 56.100 -0.185 0.000 0.952 367 R CB -1.043 29.149 30.300 -0.180 0.000 0.848 367 R HN 0.322 nan 8.270 nan 0.000 0.430 368 N N 0.893 119.423 118.700 -0.283 0.000 2.106 368 N HA -0.063 4.681 4.740 0.007 0.000 0.188 368 N C 2.011 177.450 175.510 -0.118 0.000 1.029 368 N CA 1.035 53.913 53.050 -0.285 0.000 0.848 368 N CB -0.229 37.756 38.487 -0.836 0.000 1.007 368 N HN 0.173 nan 8.380 nan 0.000 0.423 369 L N -0.428 120.674 121.223 -0.201 0.000 2.162 369 L HA 0.035 4.379 4.340 0.007 0.000 0.205 369 L C 1.497 178.416 176.870 0.082 0.000 1.086 369 L CA 0.600 55.435 54.840 -0.008 0.000 0.778 369 L CB 0.044 42.067 42.059 -0.060 0.000 0.928 369 L HN 0.176 nan 8.230 nan 0.000 0.446 370 C N -1.476 117.828 119.300 0.007 0.000 2.926 370 C HA 0.166 4.630 4.460 0.007 0.000 0.272 370 C C 0.733 175.734 174.990 0.020 0.000 1.249 370 C CA -0.968 58.067 59.018 0.029 0.000 1.691 370 C CB -0.504 27.237 27.740 0.002 0.000 1.983 370 C HN 0.301 nan 8.230 nan 0.000 0.615 371 D N 2.201 122.594 120.400 -0.011 0.000 2.423 371 D HA 0.094 4.739 4.640 0.007 0.000 0.238 371 D C -1.412 174.931 176.300 0.072 0.000 1.142 371 D CA -1.189 52.810 54.000 -0.002 0.000 0.884 371 D CB 0.624 41.330 40.800 -0.158 0.000 1.199 371 D HN 0.084 nan 8.370 nan 0.000 0.438 372 P HA -0.143 nan 4.420 nan 0.000 0.215 372 P C 0.610 178.034 177.300 0.207 0.000 1.153 372 P CA 1.323 64.529 63.100 0.177 0.000 0.853 372 P CB 0.025 31.820 31.700 0.158 0.000 0.788 373 H N -2.502 116.577 119.070 0.016 0.000 2.538 373 H HA 0.351 4.911 4.556 0.007 0.000 0.286 373 H C 0.888 176.229 175.328 0.022 0.000 1.035 373 H CA -0.074 55.983 56.048 0.015 0.000 1.169 373 H CB -0.198 29.574 29.762 0.016 0.000 1.417 373 H HN 0.004 nan 8.280 nan 0.000 0.567 374 R N -0.367 120.088 120.500 -0.074 0.000 2.893 374 R HA 0.181 4.525 4.340 0.007 0.000 0.108 374 R C 0.991 177.262 176.300 -0.049 0.000 0.889 374 R CA -0.636 55.433 56.100 -0.052 0.000 0.627 374 R CB -0.848 29.445 30.300 -0.012 0.000 0.778 374 R HN 0.092 nan 8.270 nan 0.000 0.360 375 Y N 1.619 121.956 120.300 0.063 0.000 2.509 375 Y HA 0.012 4.566 4.550 0.007 0.000 0.293 375 Y C 0.682 176.622 175.900 0.066 0.000 1.133 375 Y CA 1.078 59.230 58.100 0.087 0.000 1.283 375 Y CB -0.478 38.079 38.460 0.162 0.000 1.001 375 Y HN 0.563 nan 8.280 nan 0.000 0.555 376 N N 0.758 119.548 118.700 0.149 0.000 2.702 376 N HA -0.236 4.508 4.740 0.007 0.000 0.255 376 N C 0.506 176.098 175.510 0.136 0.000 0.983 376 N CA 0.347 53.467 53.050 0.117 0.000 0.768 376 N CB -0.984 37.552 38.487 0.081 0.000 0.918 376 N HN 0.585 nan 8.380 nan 0.000 0.540 377 I N -3.222 117.449 120.570 0.167 0.000 3.812 377 I HA 0.065 4.239 4.170 0.007 0.000 0.320 377 I C 1.547 177.758 176.117 0.156 0.000 1.276 377 I CA -0.366 61.028 61.300 0.158 0.000 1.164 377 I CB 0.065 38.174 38.000 0.181 0.000 1.009 377 I HN 0.132 nan 8.210 nan 0.000 0.431 378 L N 1.668 122.993 121.223 0.170 0.000 1.989 378 L HA -0.214 4.130 4.340 0.007 0.000 0.211 378 L C 2.577 179.631 176.870 0.307 0.000 1.071 378 L CA 2.196 57.167 54.840 0.218 0.000 0.749 378 L CB -0.903 41.264 42.059 0.180 0.000 0.890 378 L HN 0.552 nan 8.230 nan 0.000 0.431 379 E N -1.020 119.354 120.200 0.291 0.000 2.077 379 E HA -0.231 4.123 4.350 0.007 0.000 0.193 379 E C 1.717 178.340 176.600 0.037 0.000 0.989 379 E CA 1.414 57.918 56.400 0.175 0.000 0.800 379 E CB 0.021 29.776 29.700 0.091 0.000 0.746 379 E HN 0.508 nan 8.360 nan 0.000 0.452 380 D N 0.060 120.485 120.400 0.040 0.000 2.117 380 D HA -0.152 4.492 4.640 0.007 0.000 0.197 380 D C 2.079 178.353 176.300 -0.043 0.000 0.987 380 D CA 1.232 55.219 54.000 -0.021 0.000 0.829 380 D CB -0.224 40.574 40.800 -0.003 0.000 0.961 380 D HN 0.158 nan 8.370 nan 0.000 0.460 381 V N 1.500 121.443 119.914 0.049 0.000 2.427 381 V HA -0.170 3.954 4.120 0.007 0.000 0.248 381 V C 2.559 178.710 176.094 0.096 0.000 1.051 381 V CA 1.520 63.886 62.300 0.111 0.000 1.048 381 V CB -0.777 31.204 31.823 0.263 0.000 0.666 381 V HN 0.161 nan 8.190 nan 0.000 0.456 382 A N 0.129 123.022 122.820 0.122 0.000 1.877 382 A HA -0.159 4.166 4.320 0.007 0.000 0.216 382 A C 2.421 179.967 177.584 -0.063 0.000 1.186 382 A CA 2.118 54.222 52.037 0.112 0.000 0.620 382 A CB -0.746 18.371 19.000 0.194 0.000 0.822 382 A HN 0.315 nan 8.150 nan 0.000 0.443 383 V N -0.554 119.273 119.914 -0.145 0.000 2.255 383 V HA -0.366 3.758 4.120 0.007 0.000 0.247 383 V C 2.677 178.609 176.094 -0.270 0.000 1.051 383 V CA 2.211 64.389 62.300 -0.204 0.000 1.018 383 V CB -1.187 30.518 31.823 -0.196 0.000 0.641 383 V HN 0.715 nan 8.190 nan 0.000 0.445 384 C N -0.460 118.600 119.300 -0.401 0.000 2.411 384 C HA -0.174 4.290 4.460 0.007 0.000 0.279 384 C C 2.697 177.281 174.990 -0.675 0.000 1.288 384 C CA 1.138 59.672 59.018 -0.808 0.000 1.764 384 C CB -1.103 25.733 27.740 -1.506 0.000 1.974 384 C HN 0.544 nan 8.230 nan 0.000 0.498 385 M N -0.385 119.065 119.600 -0.250 0.000 2.558 385 M HA 0.033 4.517 4.480 0.007 0.000 0.255 385 M C 0.483 176.775 176.300 -0.012 0.000 1.113 385 M CA 0.943 56.264 55.300 0.034 0.000 1.097 385 M CB -0.359 32.352 32.600 0.185 0.000 1.426 385 M HN 0.272 nan 8.290 nan 0.000 0.488 386 D N 1.507 121.851 120.400 -0.093 0.000 2.718 386 D HA -0.137 4.508 4.640 0.007 0.000 0.242 386 D C -1.160 175.115 176.300 -0.042 0.000 1.123 386 D CA 0.372 54.323 54.000 -0.083 0.000 0.690 386 D CB -0.873 39.887 40.800 -0.067 0.000 1.059 386 D HN 0.276 nan 8.370 nan 0.000 0.429 387 L N 0.043 121.241 121.223 -0.042 0.000 2.344 387 L HA 0.442 4.786 4.340 0.007 0.000 0.272 387 L C 0.785 177.597 176.870 -0.098 0.000 1.035 387 L CA -1.077 53.764 54.840 0.001 0.000 0.807 387 L CB 1.053 43.181 42.059 0.116 0.000 1.237 387 L HN 0.004 nan 8.230 nan 0.000 0.442 388 D N 0.945 121.313 120.400 -0.053 0.000 2.398 388 D HA -0.015 4.630 4.640 0.007 0.000 0.250 388 D C 1.093 177.200 176.300 -0.322 0.000 1.287 388 D CA -0.039 53.890 54.000 -0.118 0.000 0.992 388 D CB 0.702 41.493 40.800 -0.015 0.000 1.071 388 D HN 0.618 nan 8.370 nan 0.000 0.514 389 T N 0.875 115.041 114.554 -0.646 0.000 3.194 389 T HA 0.078 4.432 4.350 0.007 0.000 0.251 389 T C 1.367 175.694 174.700 -0.622 0.000 1.132 389 T CA -0.039 61.234 62.100 -1.378 0.000 1.028 389 T CB 0.153 68.180 68.868 -1.401 0.000 0.976 389 T HN 0.140 nan 8.240 nan 0.000 0.535 390 R N 0.654 120.999 120.500 -0.260 0.000 2.223 390 R HA 0.212 4.557 4.340 0.007 0.000 0.198 390 R C 0.890 177.221 176.300 0.052 0.000 0.984 390 R CA 0.404 56.457 56.100 -0.079 0.000 1.018 390 R CB -0.051 30.207 30.300 -0.071 0.000 0.945 390 R HN 0.424 nan 8.270 nan 0.000 0.479 391 T N 0.223 114.845 114.554 0.115 0.000 2.824 391 T HA 0.165 4.520 4.350 0.007 0.000 0.282 391 T C 1.197 176.076 174.700 0.298 0.000 0.993 391 T CA -0.325 61.877 62.100 0.170 0.000 0.967 391 T CB 1.702 70.632 68.868 0.103 0.000 0.960 391 T HN 0.290 nan 8.240 nan 0.000 0.441 392 T N 1.268 115.950 114.554 0.213 0.000 2.788 392 T HA -0.121 4.233 4.350 0.007 0.000 0.268 392 T C 2.093 176.836 174.700 0.070 0.000 1.044 392 T CA 1.631 63.806 62.100 0.125 0.000 1.139 392 T CB -0.697 68.198 68.868 0.045 0.000 0.867 392 T HN 0.681 nan 8.240 nan 0.000 0.454 393 S N 1.877 117.623 115.700 0.077 0.000 2.595 393 S HA -0.032 4.442 4.470 0.007 0.000 0.235 393 S C 1.984 176.626 174.600 0.070 0.000 0.974 393 S CA 0.731 58.962 58.200 0.053 0.000 0.942 393 S CB -0.902 62.325 63.200 0.044 0.000 0.766 393 S HN 0.781 nan 8.310 nan 0.000 0.536 394 S N 1.319 117.095 115.700 0.126 0.000 2.524 394 S HA 0.297 4.771 4.470 0.007 0.000 0.216 394 S C 0.870 175.545 174.600 0.125 0.000 0.987 394 S CA -0.021 58.266 58.200 0.145 0.000 0.909 394 S CB -0.869 62.460 63.200 0.215 0.000 0.781 394 S HN 0.620 nan 8.310 nan 0.000 0.521 395 L N 1.428 122.682 121.223 0.051 0.000 3.634 395 L HA -0.160 4.184 4.340 0.007 0.000 0.423 395 L C 1.483 178.343 176.870 -0.017 0.000 1.253 395 L CA 0.626 55.434 54.840 -0.053 0.000 0.885 395 L CB -2.426 39.620 42.059 -0.021 0.000 1.789 395 L HN 0.737 nan 8.230 nan 0.000 0.904 396 W N -0.150 121.160 121.300 0.017 0.000 2.425 396 W HA -0.076 4.588 4.660 0.007 0.000 0.277 396 W C 1.634 178.169 176.519 0.027 0.000 1.231 396 W CA 1.047 58.405 57.345 0.022 0.000 1.248 396 W CB -0.619 28.850 29.460 0.016 0.000 1.117 396 W HN 0.302 nan 8.180 nan 0.000 0.568 397 K N 0.981 120.999 120.400 -0.635 0.000 2.155 397 K HA -0.114 4.210 4.320 0.007 0.000 0.203 397 K C 1.398 177.874 176.600 -0.206 0.000 1.052 397 K CA 2.019 57.977 56.287 -0.548 0.000 0.948 397 K CB -0.200 31.824 32.500 -0.793 0.000 0.728 397 K HN 0.059 nan 8.250 nan 0.000 0.448 398 D N 0.815 121.115 120.400 -0.167 0.000 2.103 398 D HA -0.085 4.559 4.640 0.007 0.000 0.199 398 D C 1.651 177.946 176.300 -0.008 0.000 0.978 398 D CA 1.068 55.019 54.000 -0.081 0.000 0.829 398 D CB 0.087 40.844 40.800 -0.071 0.000 0.981 398 D HN 0.071 nan 8.370 nan 0.000 0.464 399 K N 0.618 121.039 120.400 0.035 0.000 2.057 399 K HA -0.022 4.302 4.320 0.007 0.000 0.207 399 K C 2.158 178.828 176.600 0.117 0.000 1.049 399 K CA 1.143 57.480 56.287 0.084 0.000 0.931 399 K CB -0.124 32.445 32.500 0.115 0.000 0.714 399 K HN 0.072 nan 8.250 nan 0.000 0.440 400 A N 1.614 124.523 122.820 0.148 0.000 1.873 400 A HA -0.075 4.249 4.320 0.007 0.000 0.215 400 A C 2.416 180.092 177.584 0.154 0.000 1.186 400 A CA 1.723 53.877 52.037 0.195 0.000 0.616 400 A CB -0.771 18.378 19.000 0.249 0.000 0.823 400 A HN 0.313 nan 8.150 nan 0.000 0.442 401 A N -0.529 122.340 122.820 0.082 0.000 1.940 401 A HA -0.046 4.278 4.320 0.007 0.000 0.219 401 A C 2.231 179.832 177.584 0.028 0.000 1.176 401 A CA 1.913 53.971 52.037 0.036 0.000 0.631 401 A CB -0.956 18.026 19.000 -0.030 0.000 0.814 401 A HN 0.398 nan 8.150 nan 0.000 0.446 402 V N 0.315 120.251 119.914 0.037 0.000 2.343 402 V HA -0.199 3.925 4.120 0.007 0.000 0.247 402 V C 2.484 178.619 176.094 0.067 0.000 1.051 402 V CA 2.095 64.420 62.300 0.042 0.000 1.036 402 V CB -0.665 31.189 31.823 0.053 0.000 0.654 402 V HN 0.538 nan 8.190 nan 0.000 0.451 403 E N -0.186 120.082 120.200 0.114 0.000 2.204 403 E HA -0.087 4.268 4.350 0.007 0.000 0.194 403 E C 2.107 178.771 176.600 0.107 0.000 0.989 403 E CA 1.020 57.525 56.400 0.176 0.000 0.824 403 E CB -0.158 29.627 29.700 0.141 0.000 0.756 403 E HN 0.587 nan 8.360 nan 0.000 0.477 404 I N 1.350 121.992 120.570 0.119 0.000 2.286 404 I HA -0.203 3.971 4.170 0.007 0.000 0.245 404 I C 2.144 178.235 176.117 -0.043 0.000 1.104 404 I CA 0.653 62.015 61.300 0.103 0.000 1.397 404 I CB -0.275 37.852 38.000 0.213 0.000 1.072 404 I HN 0.049 nan 8.210 nan 0.000 0.417 405 N N 0.899 119.574 118.700 -0.043 0.000 2.120 405 N HA -0.176 4.568 4.740 0.007 0.000 0.188 405 N C 1.919 177.373 175.510 -0.093 0.000 1.024 405 N CA 1.184 54.184 53.050 -0.083 0.000 0.852 405 N CB -0.166 38.281 38.487 -0.067 0.000 1.003 405 N HN 0.190 nan 8.380 nan 0.000 0.424 406 L N 1.437 122.607 121.223 -0.088 0.000 2.191 406 L HA -0.047 4.298 4.340 0.007 0.000 0.212 406 L C 2.140 178.857 176.870 -0.255 0.000 1.103 406 L CA 1.165 55.916 54.840 -0.149 0.000 0.769 406 L CB -0.533 41.429 42.059 -0.161 0.000 0.908 406 L HN 0.046 nan 8.230 nan 0.000 0.438 407 A N -1.462 121.168 122.820 -0.316 0.000 1.897 407 A HA -0.075 4.249 4.320 0.007 0.000 0.215 407 A C 2.210 179.711 177.584 -0.139 0.000 1.181 407 A CA 1.587 53.380 52.037 -0.406 0.000 0.620 407 A CB -0.881 17.589 19.000 -0.884 0.000 0.821 407 A HN 0.246 nan 8.150 nan 0.000 0.443 408 V N 0.277 120.128 119.914 -0.104 0.000 2.295 408 V HA -0.263 3.861 4.120 0.007 0.000 0.246 408 V C 2.574 178.668 176.094 -0.000 0.000 1.049 408 V CA 1.953 64.231 62.300 -0.036 0.000 1.024 408 V CB -0.836 30.865 31.823 -0.203 0.000 0.648 408 V HN 0.553 nan 8.190 nan 0.000 0.447 409 L N -0.491 120.693 121.223 -0.065 0.000 1.994 409 L HA -0.237 4.108 4.340 0.007 0.000 0.208 409 L C 2.644 179.541 176.870 0.045 0.000 1.071 409 L CA 2.324 57.146 54.840 -0.031 0.000 0.745 409 L CB -0.805 41.228 42.059 -0.042 0.000 0.892 409 L HN 0.480 nan 8.230 nan 0.000 0.431 410 H N -0.407 118.616 119.070 -0.079 0.000 2.321 410 H HA -0.142 4.418 4.556 0.008 0.000 0.300 410 H C 2.349 177.665 175.328 -0.020 0.000 1.087 410 H CA 1.961 57.958 56.048 -0.085 0.000 1.319 410 H CB 0.054 29.700 29.762 -0.194 0.000 1.379 410 H HN 0.152 nan 8.280 nan 0.000 0.501 411 S N -0.337 115.355 115.700 -0.014 0.000 2.368 411 S HA -0.119 4.355 4.470 0.007 0.000 0.225 411 S C 1.831 176.398 174.600 -0.054 0.000 1.030 411 S CA 1.302 59.475 58.200 -0.046 0.000 0.999 411 S CB -0.395 62.859 63.200 0.091 0.000 0.844 411 S HN 0.332 nan 8.310 nan 0.000 0.459 412 F N 1.880 121.767 119.950 -0.104 0.000 2.163 412 F HA -0.010 4.521 4.527 0.006 0.000 0.297 412 F C 2.620 178.359 175.800 -0.101 0.000 1.094 412 F CA 0.850 58.809 58.000 -0.069 0.000 1.290 412 F CB -0.668 38.316 39.000 -0.026 0.000 1.017 412 F HN 0.187 nan 8.300 nan 0.000 0.483 413 Q N -0.450 119.385 119.800 0.058 0.000 2.291 413 Q HA -0.173 4.171 4.340 0.007 0.000 0.205 413 Q C 2.097 178.032 176.000 -0.109 0.000 0.970 413 Q CA 1.059 56.843 55.803 -0.032 0.000 0.876 413 Q CB -0.259 28.454 28.738 -0.043 0.000 0.935 413 Q HN 0.395 nan 8.270 nan 0.000 0.455 414 L N -0.090 121.016 121.223 -0.195 0.000 2.102 414 L HA 0.080 4.424 4.340 0.007 0.000 0.202 414 L C 1.918 178.699 176.870 -0.148 0.000 1.076 414 L CA 1.254 55.964 54.840 -0.218 0.000 0.761 414 L CB -0.289 41.556 42.059 -0.356 0.000 0.921 414 L HN 0.041 nan 8.230 nan 0.000 0.444 415 A N -1.002 121.724 122.820 -0.156 0.000 2.255 415 A HA -0.023 4.301 4.320 0.007 0.000 0.206 415 A C 0.768 178.284 177.584 -0.114 0.000 1.193 415 A CA 0.192 52.143 52.037 -0.144 0.000 0.794 415 A CB -0.501 18.375 19.000 -0.207 0.000 0.794 415 A HN 0.426 nan 8.150 nan 0.000 0.481 416 K N -1.333 119.013 120.400 -0.091 0.000 3.071 416 K HA -0.143 4.182 4.320 0.007 0.000 0.265 416 K C -0.410 176.155 176.600 -0.059 0.000 1.060 416 K CA 0.885 57.131 56.287 -0.068 0.000 0.767 416 K CB -2.639 29.822 32.500 -0.066 0.000 1.241 416 K HN 0.332 nan 8.250 nan 0.000 0.486 417 V N 0.940 120.829 119.914 -0.041 0.000 2.532 417 V HA 0.208 4.332 4.120 0.007 0.000 0.295 417 V C 0.926 177.087 176.094 0.113 0.000 1.041 417 V CA -0.643 61.663 62.300 0.009 0.000 0.926 417 V CB 1.995 33.776 31.823 -0.069 0.000 0.992 417 V HN 0.203 nan 8.190 nan 0.000 0.457 418 T N 5.863 120.453 114.554 0.060 0.000 2.834 418 T HA 0.526 4.880 4.350 0.007 0.000 0.298 418 T C -0.300 174.452 174.700 0.086 0.000 0.966 418 T CA 0.566 62.626 62.100 -0.067 0.000 1.141 418 T CB 0.069 68.729 68.868 -0.347 0.000 0.905 418 T HN 0.531 nan 8.240 nan 0.000 0.535 419 I N 2.587 123.159 120.570 0.004 0.000 2.842 419 I HA 0.588 4.762 4.170 0.007 0.000 0.297 419 I C -1.562 174.590 176.117 0.059 0.000 1.380 419 I CA -0.950 60.388 61.300 0.063 0.000 1.018 419 I CB 2.005 39.953 38.000 -0.086 0.000 1.311 419 I HN 0.409 nan 8.210 nan 0.000 0.439 420 V N 5.484 125.490 119.914 0.152 0.000 2.588 420 V HA 0.462 4.586 4.120 0.007 0.000 0.304 420 V C -1.123 175.012 176.094 0.067 0.000 1.042 420 V CA -0.333 62.050 62.300 0.139 0.000 0.877 420 V CB 2.196 34.186 31.823 0.278 0.000 0.996 420 V HN 0.861 nan 8.190 nan 0.000 0.425 421 D N 4.113 124.523 120.400 0.016 0.000 2.358 421 D HA 0.158 4.803 4.640 0.007 0.000 0.244 421 D C 1.296 177.551 176.300 -0.076 0.000 1.163 421 D CA 0.191 54.164 54.000 -0.045 0.000 0.945 421 D CB 0.432 41.161 40.800 -0.119 0.000 1.152 421 D HN 0.728 nan 8.370 nan 0.000 0.451 422 H N -0.297 118.677 119.070 -0.161 0.000 2.489 422 H HA -0.136 4.424 4.556 0.007 0.000 0.293 422 H C 0.844 176.078 175.328 -0.156 0.000 1.066 422 H CA 1.223 57.157 56.048 -0.190 0.000 1.305 422 H CB -0.454 29.145 29.762 -0.271 0.000 1.386 422 H HN 0.486 nan 8.280 nan 0.000 0.551 423 H N 1.452 120.318 119.070 -0.340 0.000 2.268 423 H HA 0.159 4.719 4.556 0.007 0.000 0.304 423 H C 2.631 177.934 175.328 -0.042 0.000 1.064 423 H CA 1.446 57.393 56.048 -0.168 0.000 1.316 423 H CB -0.639 28.993 29.762 -0.217 0.000 1.386 423 H HN 0.468 nan 8.280 nan 0.000 0.496 424 A N 1.464 124.343 122.820 0.098 0.000 1.948 424 A HA -0.180 4.144 4.320 0.007 0.000 0.220 424 A C 2.670 180.320 177.584 0.111 0.000 1.177 424 A CA 2.164 54.256 52.037 0.091 0.000 0.636 424 A CB -0.938 18.106 19.000 0.073 0.000 0.815 424 A HN 0.473 nan 8.150 nan 0.000 0.449 425 A N -0.386 122.493 122.820 0.098 0.000 1.877 425 A HA -0.109 4.215 4.320 0.007 0.000 0.216 425 A C 2.460 180.129 177.584 0.141 0.000 1.186 425 A CA 2.616 54.724 52.037 0.118 0.000 0.620 425 A CB -1.371 17.681 19.000 0.087 0.000 0.822 425 A HN 0.758 nan 8.150 nan 0.000 0.443 426 T N -2.609 112.020 114.554 0.125 0.000 2.857 426 T HA -0.058 4.296 4.350 0.007 0.000 0.266 426 T C 1.700 176.532 174.700 0.221 0.000 1.048 426 T CA 1.269 63.467 62.100 0.164 0.000 1.139 426 T CB -0.778 68.162 68.868 0.120 0.000 0.874 426 T HN 0.054 nan 8.240 nan 0.000 0.455 427 V N 2.999 123.017 119.914 0.174 0.000 2.392 427 V HA -0.187 3.937 4.120 0.007 0.000 0.249 427 V C 3.193 179.379 176.094 0.154 0.000 1.059 427 V CA 2.140 64.532 62.300 0.153 0.000 1.051 427 V CB -1.033 30.860 31.823 0.117 0.000 0.658 427 V HN 0.802 nan 8.190 nan 0.000 0.455 428 S N -0.500 115.301 115.700 0.167 0.000 2.428 428 S HA -0.149 4.326 4.470 0.007 0.000 0.230 428 S C 1.893 176.616 174.600 0.206 0.000 1.014 428 S CA 1.158 59.456 58.200 0.163 0.000 0.957 428 S CB -0.644 62.652 63.200 0.160 0.000 0.784 428 S HN 0.528 nan 8.310 nan 0.000 0.499 429 F N 1.917 121.926 119.950 0.097 0.000 2.325 429 F HA 0.199 4.730 4.527 0.006 0.000 0.299 429 F C 2.111 177.998 175.800 0.145 0.000 1.090 429 F CA 0.838 58.910 58.000 0.121 0.000 1.392 429 F CB -0.255 38.795 39.000 0.083 0.000 1.053 429 F HN 0.091 nan 8.300 nan 0.000 0.521 430 M N 0.132 119.815 119.600 0.137 0.000 2.132 430 M HA -0.134 4.350 4.480 0.007 0.000 0.263 430 M C 2.196 178.475 176.300 -0.034 0.000 1.065 430 M CA 1.383 56.707 55.300 0.040 0.000 1.122 430 M CB -1.154 31.517 32.600 0.117 0.000 1.365 430 M HN 0.051 nan 8.290 nan 0.000 0.411 431 K N -0.267 120.145 120.400 0.019 0.000 2.097 431 K HA -0.198 4.127 4.320 0.007 0.000 0.206 431 K C 1.967 178.555 176.600 -0.019 0.000 1.049 431 K CA 1.681 57.975 56.287 0.013 0.000 0.933 431 K CB -0.655 31.877 32.500 0.052 0.000 0.717 431 K HN 0.399 nan 8.250 nan 0.000 0.442 432 H N -0.158 118.826 119.070 -0.145 0.000 2.423 432 H HA 0.041 4.601 4.556 0.007 0.000 0.297 432 H C 1.629 176.780 175.328 -0.294 0.000 1.075 432 H CA 1.861 57.789 56.048 -0.200 0.000 1.342 432 H CB -0.061 29.551 29.762 -0.250 0.000 1.395 432 H HN 0.178 nan 8.280 nan 0.000 0.530 433 L N -0.097 120.844 121.223 -0.470 0.000 2.093 433 L HA -0.129 4.216 4.340 0.007 0.000 0.208 433 L C 1.909 178.615 176.870 -0.273 0.000 1.085 433 L CA 1.182 55.752 54.840 -0.450 0.000 0.755 433 L CB -0.252 41.595 42.059 -0.353 0.000 0.904 433 L HN 0.356 nan 8.230 nan 0.000 0.435 434 D N -0.058 120.234 120.400 -0.180 0.000 2.084 434 D HA -0.151 4.493 4.640 0.007 0.000 0.196 434 D C 1.867 178.090 176.300 -0.128 0.000 0.985 434 D CA 1.038 54.970 54.000 -0.114 0.000 0.826 434 D CB -0.384 40.378 40.800 -0.064 0.000 0.978 434 D HN 0.239 nan 8.370 nan 0.000 0.456 435 N N 1.265 119.882 118.700 -0.140 0.000 2.036 435 N HA -0.156 4.588 4.740 0.007 0.000 0.195 435 N C 1.612 177.021 175.510 -0.167 0.000 1.037 435 N CA 0.939 53.920 53.050 -0.114 0.000 0.855 435 N CB -0.347 38.101 38.487 -0.065 0.000 1.033 435 N HN 0.260 nan 8.380 nan 0.000 0.423 436 E N 0.435 120.448 120.200 -0.313 0.000 2.204 436 E HA -0.158 4.197 4.350 0.007 0.000 0.194 436 E C 1.883 178.364 176.600 -0.199 0.000 0.989 436 E CA 0.549 56.760 56.400 -0.315 0.000 0.824 436 E CB -0.093 29.302 29.700 -0.508 0.000 0.756 436 E HN 0.365 nan 8.360 nan 0.000 0.477 437 Q N 1.537 121.236 119.800 -0.169 0.000 2.050 437 Q HA -0.122 4.222 4.340 0.007 0.000 0.202 437 Q C 1.804 177.751 176.000 -0.089 0.000 0.980 437 Q CA 1.741 57.477 55.803 -0.110 0.000 0.840 437 Q CB 0.014 28.699 28.738 -0.088 0.000 0.898 437 Q HN 0.137 nan 8.270 nan 0.000 0.424 438 K N -0.492 119.859 120.400 -0.082 0.000 2.057 438 K HA -0.053 4.271 4.320 0.007 0.000 0.207 438 K C 2.067 178.631 176.600 -0.060 0.000 1.049 438 K CA 1.227 57.478 56.287 -0.060 0.000 0.931 438 K CB -0.267 32.205 32.500 -0.047 0.000 0.714 438 K HN 0.249 nan 8.250 nan 0.000 0.440 439 A N 1.331 124.109 122.820 -0.069 0.000 1.897 439 A HA -0.062 4.262 4.320 0.007 0.000 0.215 439 A C 1.840 179.382 177.584 -0.070 0.000 1.181 439 A CA 1.131 53.133 52.037 -0.058 0.000 0.620 439 A CB -0.033 18.938 19.000 -0.048 0.000 0.821 439 A HN 0.175 nan 8.150 nan 0.000 0.443 440 R N -2.322 118.121 120.500 -0.094 0.000 2.521 440 R HA 0.273 4.617 4.340 0.007 0.000 0.289 440 R C 0.597 176.842 176.300 -0.091 0.000 0.936 440 R CA 0.467 56.514 56.100 -0.088 0.000 1.089 440 R CB 0.651 30.893 30.300 -0.097 0.000 1.348 440 R HN 0.680 nan 8.270 nan 0.000 0.536 441 G N 1.259 110.001 108.800 -0.096 0.000 2.326 441 G HA2 -0.071 3.893 3.960 0.007 0.000 0.286 441 G HA3 -0.071 3.893 3.960 0.007 0.000 0.286 441 G C 0.202 175.055 174.900 -0.078 0.000 1.096 441 G CA 0.118 45.158 45.100 -0.101 0.000 1.003 441 G HN 0.713 nan 8.290 nan 0.000 0.503 442 G N -2.196 106.568 108.800 -0.061 0.000 2.347 442 G HA2 0.498 4.463 3.960 0.007 0.000 0.477 442 G HA3 0.498 4.463 3.960 0.007 0.000 0.477 442 G C -0.393 174.496 174.900 -0.018 0.000 1.349 442 G CA 0.429 45.526 45.100 -0.005 0.000 1.000 442 G HN 2.258 nan 8.290 nan 0.000 0.605 443 C N 2.141 121.457 119.300 0.027 0.000 2.833 443 C HA 0.695 5.159 4.460 0.007 0.000 0.383 443 C C -2.471 172.478 174.990 -0.068 0.000 1.058 443 C CA -1.117 57.867 59.018 -0.058 0.000 1.259 443 C CB 1.272 28.911 27.740 -0.168 0.000 1.726 443 C HN 0.783 nan 8.230 nan 0.000 0.484 444 P HA 0.321 nan 4.420 nan 0.000 0.261 444 P C -0.512 176.659 177.300 -0.216 0.000 1.203 444 P CA 0.791 63.470 63.100 -0.702 0.000 0.767 444 P CB 0.661 31.725 31.700 -1.061 0.000 0.785 445 A N 3.171 125.955 122.820 -0.059 0.000 2.393 445 A HA 0.388 4.713 4.320 0.007 0.000 0.306 445 A C -0.661 176.978 177.584 0.093 0.000 1.050 445 A CA -0.596 51.494 52.037 0.089 0.000 0.724 445 A CB 1.200 20.365 19.000 0.275 0.000 1.248 445 A HN 0.434 nan 8.150 nan 0.000 0.424 446 D N 2.314 122.753 120.400 0.065 0.000 2.456 446 D HA 0.092 4.736 4.640 0.007 0.000 0.219 446 D C 0.813 177.238 176.300 0.207 0.000 1.126 446 D CA -0.442 53.631 54.000 0.122 0.000 0.890 446 D CB 0.311 41.113 40.800 0.003 0.000 1.025 446 D HN 0.640 nan 8.370 nan 0.000 0.511 447 W N 4.200 125.553 121.300 0.087 0.000 2.302 447 W HA -0.346 4.318 4.660 0.008 0.000 0.320 447 W C 2.026 178.591 176.519 0.077 0.000 1.241 447 W CA 2.591 59.974 57.345 0.062 0.000 1.264 447 W CB -0.056 29.417 29.460 0.022 0.000 1.154 447 W HN 0.548 nan 8.180 nan 0.000 0.483 448 A N -1.332 121.733 122.820 0.408 0.000 2.024 448 A HA -0.209 4.115 4.320 0.007 0.000 0.220 448 A C 1.495 179.093 177.584 0.024 0.000 1.164 448 A CA 1.683 53.864 52.037 0.238 0.000 0.643 448 A CB -1.314 17.866 19.000 0.299 0.000 0.806 448 A HN 0.557 nan 8.150 nan 0.000 0.451 449 W N -0.934 120.319 121.300 -0.079 0.000 2.704 449 W HA 0.187 4.851 4.660 0.007 0.000 0.266 449 W C 1.785 178.176 176.519 -0.213 0.000 1.266 449 W CA -0.092 57.188 57.345 -0.109 0.000 1.377 449 W CB -0.014 29.415 29.460 -0.052 0.000 1.082 449 W HN 0.139 nan 8.180 nan 0.000 0.608 450 I N -0.104 120.408 120.570 -0.097 0.000 2.500 450 I HA -0.055 4.119 4.170 0.007 0.000 0.252 450 I C 0.677 176.583 176.117 -0.353 0.000 1.142 450 I CA 0.750 61.861 61.300 -0.315 0.000 1.451 450 I CB -1.437 36.300 38.000 -0.438 0.000 1.093 450 I HN -0.392 nan 8.210 nan 0.000 0.430 451 V N 3.520 123.154 119.914 -0.468 0.000 2.555 451 V HA 0.138 4.262 4.120 0.007 0.000 0.286 451 V C -1.991 173.947 176.094 -0.260 0.000 1.044 451 V CA -1.224 60.823 62.300 -0.421 0.000 1.026 451 V CB 0.307 31.719 31.823 -0.685 0.000 0.981 451 V HN 0.103 nan 8.190 nan 0.000 0.480 452 P HA 0.135 nan 4.420 nan 0.000 0.269 452 P C -1.827 175.346 177.300 -0.212 0.000 1.209 452 P CA -1.156 61.828 63.100 -0.195 0.000 0.776 452 P CB 0.089 31.672 31.700 -0.196 0.000 0.876 453 P HA -0.040 nan 4.420 nan 0.000 0.234 453 P C 0.169 177.351 177.300 -0.197 0.000 1.167 453 P CA 1.193 64.173 63.100 -0.200 0.000 0.763 453 P CB -0.040 31.538 31.700 -0.203 0.000 0.835 454 I N -7.231 113.183 120.570 -0.259 0.000 3.174 454 I HA 0.431 4.605 4.170 0.007 0.000 0.313 454 I C 0.220 176.198 176.117 -0.232 0.000 1.155 454 I CA -1.397 59.757 61.300 -0.243 0.000 0.977 454 I CB 1.565 39.392 38.000 -0.289 0.000 1.248 454 I HN -0.453 nan 8.210 nan 0.000 0.453 455 S N 1.513 117.129 115.700 -0.142 0.000 3.420 455 S HA -0.226 4.248 4.470 0.007 0.000 0.367 455 S C 1.431 175.990 174.600 -0.069 0.000 1.063 455 S CA 0.887 59.052 58.200 -0.059 0.000 1.073 455 S CB -1.733 61.507 63.200 0.066 0.000 0.905 455 S HN 1.232 nan 8.310 nan 0.000 0.485 456 G N 2.281 111.005 108.800 -0.127 0.000 2.681 456 G HA2 -0.364 3.600 3.960 0.007 0.000 0.220 456 G HA3 -0.364 3.600 3.960 0.007 0.000 0.220 456 G C 1.425 176.140 174.900 -0.307 0.000 1.210 456 G CA 1.608 46.627 45.100 -0.134 0.000 0.783 456 G HN 1.259 nan 8.290 nan 0.000 0.609 457 S N -0.147 115.096 115.700 -0.761 0.000 2.603 457 S HA 0.161 4.635 4.470 0.007 0.000 0.229 457 S C 1.890 176.410 174.600 -0.134 0.000 0.972 457 S CA 0.612 58.279 58.200 -0.887 0.000 0.935 457 S CB 0.032 62.602 63.200 -1.050 0.000 0.769 457 S HN 0.078 nan 8.310 nan 0.000 0.536 458 L N 2.374 123.574 121.223 -0.038 0.000 2.492 458 L HA 0.241 4.585 4.340 0.007 0.000 0.223 458 L C 1.305 178.295 176.870 0.200 0.000 1.132 458 L CA 0.695 55.602 54.840 0.112 0.000 0.850 458 L CB -0.807 41.342 42.059 0.149 0.000 0.966 458 L HN 0.569 nan 8.230 nan 0.000 0.454 459 T N -4.130 110.533 114.554 0.183 0.000 2.902 459 T HA 0.345 4.699 4.350 0.007 0.000 0.283 459 T C -1.635 173.216 174.700 0.253 0.000 1.009 459 T CA -1.947 60.286 62.100 0.222 0.000 1.051 459 T CB 1.795 70.764 68.868 0.168 0.000 0.999 459 T HN -0.134 nan 8.240 nan 0.000 0.474 460 P HA -0.120 nan 4.420 nan 0.000 0.219 460 P C 1.797 179.294 177.300 0.328 0.000 1.146 460 P CA 1.145 64.450 63.100 0.343 0.000 0.808 460 P CB -0.316 31.531 31.700 0.244 0.000 0.779 461 V N -3.847 116.208 119.914 0.235 0.000 2.626 461 V HA -0.196 3.928 4.120 0.007 0.000 0.252 461 V C 2.378 178.572 176.094 0.167 0.000 1.067 461 V CA 1.210 63.626 62.300 0.193 0.000 1.081 461 V CB -2.234 29.634 31.823 0.075 0.000 0.686 461 V HN -0.117 nan 8.190 nan 0.000 0.468 462 F N 2.080 121.996 119.950 -0.056 0.000 2.126 462 F HA -0.176 4.355 4.527 0.007 0.000 0.299 462 F C 2.483 178.404 175.800 0.202 0.000 1.096 462 F CA 2.287 60.278 58.000 -0.014 0.000 1.255 462 F CB -0.305 38.518 39.000 -0.296 0.000 0.997 462 F HN 0.295 nan 8.300 nan 0.000 0.479 463 H N -0.846 118.545 119.070 0.536 0.000 2.543 463 H HA 0.095 4.655 4.556 0.007 0.000 0.269 463 H C 0.260 175.828 175.328 0.399 0.000 1.005 463 H CA 0.280 56.594 56.048 0.444 0.000 1.146 463 H CB -0.398 29.612 29.762 0.413 0.000 1.353 463 H HN 0.267 nan 8.280 nan 0.000 0.595 464 Q N 2.025 122.093 119.800 0.446 0.000 2.347 464 Q HA 0.167 4.511 4.340 0.007 0.000 0.262 464 Q C -0.538 175.691 176.000 0.382 0.000 0.980 464 Q CA -0.452 55.569 55.803 0.363 0.000 0.867 464 Q CB 0.828 29.753 28.738 0.312 0.000 1.242 464 Q HN 0.254 nan 8.270 nan 0.000 0.453 465 E N 3.358 123.720 120.200 0.270 0.000 2.390 465 E HA 0.315 4.669 4.350 0.007 0.000 0.261 465 E C -0.471 176.259 176.600 0.217 0.000 1.076 465 E CA 0.149 56.664 56.400 0.191 0.000 0.905 465 E CB 0.888 30.669 29.700 0.135 0.000 0.984 465 E HN 0.595 nan 8.360 nan 0.000 0.427 466 M N 1.184 120.913 119.600 0.215 0.000 2.484 466 M HA 0.339 4.824 4.480 0.007 0.000 0.289 466 M C -1.268 175.142 176.300 0.184 0.000 1.206 466 M CA -0.916 54.523 55.300 0.231 0.000 0.892 466 M CB 2.491 35.291 32.600 0.333 0.000 1.712 466 M HN 0.160 nan 8.290 nan 0.000 0.462 467 V N 1.677 121.709 119.914 0.197 0.000 2.435 467 V HA 0.458 4.582 4.120 0.007 0.000 0.290 467 V C -0.603 175.641 176.094 0.250 0.000 1.030 467 V CA -0.704 61.741 62.300 0.242 0.000 0.881 467 V CB 1.691 33.693 31.823 0.297 0.000 0.983 467 V HN 0.889 nan 8.190 nan 0.000 0.445 468 N N 3.162 122.001 118.700 0.232 0.000 2.342 468 N HA 0.705 5.449 4.740 0.007 0.000 0.293 468 N C -1.719 173.922 175.510 0.218 0.000 1.026 468 N CA -0.402 52.703 53.050 0.091 0.000 0.857 468 N CB 2.028 40.559 38.487 0.072 0.000 1.256 468 N HN 0.724 nan 8.380 nan 0.000 0.484 469 Y N 0.681 121.002 120.300 0.035 0.000 2.713 469 Y HA 0.503 5.057 4.550 0.007 0.000 0.335 469 Y C -1.460 174.446 175.900 0.010 0.000 1.222 469 Y CA -1.175 56.940 58.100 0.025 0.000 1.061 469 Y CB 0.662 39.139 38.460 0.029 0.000 1.314 469 Y HN 0.185 nan 8.280 nan 0.000 0.453 470 I N 3.246 123.909 120.570 0.155 0.000 2.321 470 I HA 0.468 4.642 4.170 0.007 0.000 0.291 470 I C -0.845 175.334 176.117 0.103 0.000 0.998 470 I CA -0.528 60.809 61.300 0.061 0.000 1.227 470 I CB 1.095 39.123 38.000 0.046 0.000 1.368 470 I HN 0.412 nan 8.210 nan 0.000 0.466 471 L N 5.022 126.272 121.223 0.045 0.000 2.346 471 L HA 0.536 4.880 4.340 0.007 0.000 0.274 471 L C 0.014 176.888 176.870 0.005 0.000 1.007 471 L CA -0.495 54.380 54.840 0.059 0.000 0.818 471 L CB 2.089 44.183 42.059 0.058 0.000 1.284 471 L HN 0.543 nan 8.230 nan 0.000 0.424 472 S N 2.181 117.896 115.700 0.026 0.000 2.501 472 S HA 0.632 5.106 4.470 0.007 0.000 0.301 472 S C -2.498 172.127 174.600 0.041 0.000 1.096 472 S CA -1.458 56.746 58.200 0.006 0.000 1.063 472 S CB 1.641 64.860 63.200 0.030 0.000 1.042 472 S HN 0.244 nan 8.310 nan 0.000 0.494 473 P HA 0.415 nan 4.420 nan 0.000 0.269 473 P C -1.303 175.880 177.300 -0.194 0.000 1.217 473 P CA -0.063 62.950 63.100 -0.145 0.000 0.783 473 P CB 0.511 32.070 31.700 -0.234 0.000 0.898 474 A N 0.808 123.471 122.820 -0.262 0.000 2.608 474 A HA 0.616 4.940 4.320 0.007 0.000 0.292 474 A C -1.722 175.662 177.584 -0.334 0.000 1.066 474 A CA -0.463 51.416 52.037 -0.264 0.000 0.676 474 A CB 0.598 19.522 19.000 -0.126 0.000 1.277 474 A HN 0.264 nan 8.150 nan 0.000 0.413 475 F N 1.552 121.408 119.950 -0.158 0.000 2.391 475 F HA 0.572 5.103 4.527 0.006 0.000 0.359 475 F C 1.051 176.727 175.800 -0.205 0.000 1.122 475 F CA 0.252 58.151 58.000 -0.169 0.000 1.120 475 F CB 1.304 40.152 39.000 -0.252 0.000 1.142 475 F HN 0.515 nan 8.300 nan 0.000 0.483 476 R N 2.040 122.548 120.500 0.013 0.000 2.873 476 R HA 0.510 4.854 4.340 0.007 0.000 0.264 476 R C -1.272 174.984 176.300 -0.073 0.000 1.026 476 R CA -1.165 54.888 56.100 -0.079 0.000 1.002 476 R CB 1.388 31.681 30.300 -0.011 0.000 1.174 476 R HN 0.361 nan 8.270 nan 0.000 0.488 477 Y N 1.052 121.375 120.300 0.039 0.000 2.300 477 Y HA 0.161 4.716 4.550 0.007 0.000 0.328 477 Y C 0.518 176.421 175.900 0.004 0.000 1.270 477 Y CA -0.034 58.081 58.100 0.025 0.000 1.352 477 Y CB 0.993 39.459 38.460 0.009 0.000 1.286 477 Y HN 0.466 nan 8.280 nan 0.000 0.536 478 Q N 0.648 120.546 119.800 0.164 0.000 2.462 478 Q HA 0.620 4.964 4.340 0.007 0.000 0.285 478 Q C -3.115 172.859 176.000 -0.044 0.000 1.035 478 Q CA -2.509 53.320 55.803 0.043 0.000 0.799 478 Q CB 1.868 30.620 28.738 0.025 0.000 1.452 478 Q HN 0.253 nan 8.270 nan 0.000 0.404 479 P HA 0.064 nan 4.420 nan 0.000 0.270 479 P C -0.918 176.166 177.300 -0.361 0.000 1.223 479 P CA -0.095 62.878 63.100 -0.212 0.000 0.785 479 P CB 0.402 31.989 31.700 -0.188 0.000 0.923 480 D N 2.782 122.822 120.400 -0.600 0.000 2.389 480 D HA 0.012 4.657 4.640 0.007 0.000 0.247 480 D C -1.055 174.602 176.300 -1.072 0.000 1.128 480 D CA -0.958 52.373 54.000 -1.115 0.000 0.884 480 D CB 0.424 40.044 40.800 -1.968 0.000 1.194 480 D HN 0.287 nan 8.370 nan 0.000 0.441 481 P HA -0.114 nan 4.420 nan 0.000 0.221 481 P C 0.408 177.368 177.300 -0.567 0.000 1.145 481 P CA 0.929 63.601 63.100 -0.713 0.000 0.795 481 P CB 0.087 31.317 31.700 -0.783 0.000 0.775 482 W N 0.000 120.894 121.300 -0.676 0.000 2.388 482 W HA 0.000 4.664 4.660 0.006 0.000 0.303 482 W CA 0.000 57.151 57.345 -0.324 0.000 1.226 482 W CB 0.000 29.304 29.460 -0.260 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535