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 1aig_1_M DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE RELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.885 175.900 -0.024 0.000 1.272 3 Y CA 0.000 58.094 58.100 -0.010 0.000 1.940 3 Y CB 0.000 38.455 38.460 -0.009 0.000 1.050 4 Q N 1.456 120.993 119.800 -0.438 0.000 2.245 4 Q HA 0.150 4.491 4.340 0.000 0.000 0.250 4 Q C -0.060 175.551 176.000 -0.647 0.000 0.830 4 Q CA 0.653 56.196 55.803 -0.434 0.000 0.950 4 Q CB 0.638 29.248 28.738 -0.212 0.000 1.124 4 Q HN 0.756 nan 8.270 nan 0.000 0.502 5 N N 0.408 118.378 118.700 -1.217 0.000 2.780 5 N HA -0.148 4.592 4.740 0.000 0.000 0.248 5 N C 0.384 175.649 175.510 -0.408 0.000 1.102 5 N CA 0.283 52.830 53.050 -0.839 0.000 0.697 5 N CB -0.942 37.226 38.487 -0.531 0.000 1.028 5 N HN 0.185 nan 8.380 nan 0.000 0.554 6 I N -1.322 119.051 120.570 -0.329 0.000 2.339 6 I HA 0.066 4.236 4.170 0.000 0.000 0.245 6 I C 0.782 176.644 176.117 -0.425 0.000 1.096 6 I CA 1.198 62.285 61.300 -0.355 0.000 1.408 6 I CB -0.530 37.285 38.000 -0.308 0.000 1.092 6 I HN 0.045 nan 8.210 nan 0.000 0.423 7 F N 0.240 120.284 119.950 0.158 0.000 2.546 7 F HA 0.385 4.912 4.527 0.000 0.000 0.320 7 F C 0.878 176.885 175.800 0.345 0.000 1.076 7 F CA -0.857 57.310 58.000 0.278 0.000 0.928 7 F CB 1.280 40.436 39.000 0.260 0.000 1.189 7 F HN -0.317 nan 8.300 nan 0.000 0.465 8 S N 1.582 117.614 115.700 0.553 0.000 2.562 8 S HA 0.063 4.533 4.470 0.000 0.000 0.281 8 S C 0.975 175.851 174.600 0.460 0.000 1.333 8 S CA -0.413 58.059 58.200 0.454 0.000 1.052 8 S CB 1.081 64.461 63.200 0.301 0.000 0.884 8 S HN 0.705 nan 8.310 nan 0.000 0.506 9 Q N 0.621 120.565 119.800 0.241 0.000 2.089 9 Q HA 0.105 4.445 4.340 0.000 0.000 0.195 9 Q C 0.299 176.403 176.000 0.174 0.000 0.963 9 Q CA 0.794 56.650 55.803 0.088 0.000 0.834 9 Q CB 0.246 28.846 28.738 -0.230 0.000 0.906 9 Q HN 0.474 nan 8.270 nan 0.000 0.452 10 V N 0.918 120.899 119.914 0.112 0.000 2.531 10 V HA 0.251 4.371 4.120 0.000 0.000 0.301 10 V C -1.322 174.784 176.094 0.019 0.000 1.034 10 V CA -0.588 61.761 62.300 0.082 0.000 0.865 10 V CB 1.826 33.662 31.823 0.022 0.000 0.995 10 V HN 0.142 nan 8.190 nan 0.000 0.424 11 Q N 3.628 123.395 119.800 -0.057 0.000 2.261 11 Q HA 0.612 4.952 4.340 0.000 0.000 0.252 11 Q C -1.247 174.687 176.000 -0.111 0.000 0.915 11 Q CA -0.300 55.407 55.803 -0.160 0.000 0.915 11 Q CB 2.003 30.510 28.738 -0.385 0.000 1.204 11 Q HN 0.666 nan 8.270 nan 0.000 0.421 12 V N 4.320 124.175 119.914 -0.098 0.000 2.531 12 V HA 0.487 4.607 4.120 0.000 0.000 0.301 12 V C -0.641 175.394 176.094 -0.099 0.000 1.034 12 V CA -0.540 61.711 62.300 -0.081 0.000 0.865 12 V CB 1.982 33.775 31.823 -0.049 0.000 0.995 12 V HN 0.693 nan 8.190 nan 0.000 0.424 13 R N 2.571 122.995 120.500 -0.127 0.000 2.740 13 R HA 0.797 5.137 4.340 0.000 0.000 0.282 13 R C -0.087 176.126 176.300 -0.145 0.000 0.969 13 R CA -0.179 55.819 56.100 -0.170 0.000 0.918 13 R CB 2.212 32.322 30.300 -0.316 0.000 1.175 13 R HN 0.858 nan 8.270 nan 0.000 0.464 14 G N 2.140 110.869 108.800 -0.118 0.000 3.211 14 G HA2 0.505 4.465 3.960 0.000 0.000 0.262 14 G HA3 0.505 4.465 3.960 0.000 0.000 0.262 14 G C -2.540 172.319 174.900 -0.067 0.000 1.352 14 G CA -1.153 43.901 45.100 -0.077 0.000 1.004 14 G HN 0.425 nan 8.290 nan 0.000 0.559 15 P HA 0.337 nan 4.420 nan 0.000 0.265 15 P C 0.042 177.416 177.300 0.122 0.000 1.187 15 P CA 0.120 63.242 63.100 0.038 0.000 0.766 15 P CB 0.575 32.290 31.700 0.025 0.000 0.820 16 A N 2.417 125.362 122.820 0.208 0.000 2.548 16 A HA 0.051 4.371 4.320 0.000 0.000 0.247 16 A C 0.405 178.050 177.584 0.101 0.000 1.067 16 A CA 0.130 52.308 52.037 0.236 0.000 0.757 16 A CB -0.386 18.728 19.000 0.191 0.000 0.996 16 A HN 0.495 nan 8.150 nan 0.000 0.504 17 D N 3.023 123.470 120.400 0.079 0.000 2.422 17 D HA 0.272 4.912 4.640 0.000 0.000 0.227 17 D C 0.837 177.143 176.300 0.009 0.000 1.190 17 D CA -0.111 53.910 54.000 0.037 0.000 0.905 17 D CB 0.257 41.079 40.800 0.036 0.000 1.034 17 D HN 0.459 nan 8.370 nan 0.000 0.507 18 L N 2.802 124.030 121.223 0.008 0.000 2.376 18 L HA 0.167 4.507 4.340 0.000 0.000 0.219 18 L C 1.528 178.395 176.870 -0.005 0.000 1.133 18 L CA 0.683 55.522 54.840 -0.002 0.000 0.816 18 L CB -0.586 41.474 42.059 0.002 0.000 0.933 18 L HN 0.659 nan 8.230 nan 0.000 0.449 19 G N -1.014 107.783 108.800 -0.006 0.000 2.498 19 G HA2 -0.129 3.831 3.960 0.000 0.000 0.651 19 G HA3 -0.129 3.831 3.960 0.000 0.000 0.651 19 G C -0.615 174.276 174.900 -0.014 0.000 1.284 19 G CA -0.983 44.109 45.100 -0.013 0.000 0.950 19 G HN -0.198 nan 8.290 nan 0.000 0.511 20 M N 0.465 120.051 119.600 -0.024 0.000 2.233 20 M HA 0.378 4.858 4.480 0.000 0.000 0.350 20 M C 1.611 177.896 176.300 -0.026 0.000 1.176 20 M CA 0.269 55.553 55.300 -0.028 0.000 1.150 20 M CB 0.446 33.022 32.600 -0.040 0.000 1.530 20 M HN 0.691 nan 8.290 nan 0.000 0.459 21 T N 0.630 115.170 114.554 -0.022 0.000 2.898 21 T HA 0.034 4.384 4.350 0.000 0.000 0.241 21 T C 0.721 175.404 174.700 -0.027 0.000 1.024 21 T CA 0.432 62.521 62.100 -0.017 0.000 1.174 21 T CB 0.163 69.025 68.868 -0.010 0.000 0.873 21 T HN 0.699 nan 8.240 nan 0.000 0.422 22 E N 0.801 120.983 120.200 -0.031 0.000 3.374 22 E HA -0.189 4.161 4.350 0.000 0.000 0.375 22 E C 0.010 176.589 176.600 -0.034 0.000 1.535 22 E CA 1.823 58.200 56.400 -0.039 0.000 1.664 22 E CB -0.958 28.708 29.700 -0.056 0.000 1.707 22 E HN 0.415 nan 8.360 nan 0.000 0.469 23 D N 0.031 120.404 120.400 -0.046 0.000 2.388 23 D HA 0.150 4.790 4.640 0.000 0.000 0.221 23 D C -0.407 175.875 176.300 -0.030 0.000 1.133 23 D CA 0.052 54.031 54.000 -0.035 0.000 0.831 23 D CB 0.183 40.958 40.800 -0.042 0.000 0.962 23 D HN -0.020 nan 8.370 nan 0.000 0.502 24 V N 2.280 122.175 119.914 -0.031 0.000 2.529 24 V HA -0.056 4.064 4.120 0.000 0.000 0.292 24 V C 0.943 177.098 176.094 0.102 0.000 1.028 24 V CA -0.440 61.860 62.300 0.000 0.000 1.074 24 V CB 0.761 32.576 31.823 -0.014 0.000 0.958 24 V HN 0.129 nan 8.190 nan 0.000 0.481 25 N N 4.738 123.564 118.700 0.210 0.000 2.400 25 N HA 0.017 4.757 4.740 0.000 0.000 0.267 25 N C 0.614 176.199 175.510 0.125 0.000 1.208 25 N CA -0.188 52.955 53.050 0.155 0.000 0.951 25 N CB 0.794 39.367 38.487 0.144 0.000 1.227 25 N HN 0.519 nan 8.380 nan 0.000 0.488 26 L N 3.612 124.870 121.223 0.058 0.000 2.353 26 L HA -0.060 4.280 4.340 0.000 0.000 0.220 26 L C 2.190 179.034 176.870 -0.043 0.000 1.133 26 L CA 1.119 55.971 54.840 0.020 0.000 0.798 26 L CB -0.923 41.144 42.059 0.012 0.000 0.922 26 L HN 0.684 nan 8.230 nan 0.000 0.445 27 A N -0.718 122.063 122.820 -0.065 0.000 1.968 27 A HA -0.138 4.182 4.320 0.000 0.000 0.217 27 A C 1.984 179.466 177.584 -0.170 0.000 1.169 27 A CA 1.328 53.309 52.037 -0.093 0.000 0.638 27 A CB -0.401 18.552 19.000 -0.078 0.000 0.812 27 A HN 0.454 nan 8.150 nan 0.000 0.446 28 N N -0.560 117.965 118.700 -0.292 0.000 2.494 28 N HA -0.004 4.736 4.740 0.000 0.000 0.182 28 N C 0.766 175.931 175.510 -0.574 0.000 1.076 28 N CA 0.339 53.052 53.050 -0.561 0.000 0.908 28 N CB -0.236 37.593 38.487 -1.095 0.000 0.967 28 N HN 0.460 nan 8.380 nan 0.000 0.449 29 R N 1.075 121.394 120.500 -0.302 0.000 2.390 29 R HA 0.167 4.507 4.340 0.000 0.000 0.291 29 R C 0.639 176.879 176.300 -0.100 0.000 1.070 29 R CA -0.183 55.843 56.100 -0.123 0.000 1.014 29 R CB 0.595 30.899 30.300 0.006 0.000 1.007 29 R HN 0.101 nan 8.270 nan 0.000 0.466 30 S N 1.990 117.648 115.700 -0.070 0.000 2.646 30 S HA 0.562 5.032 4.470 0.000 0.000 0.273 30 S C 0.499 175.075 174.600 -0.040 0.000 1.168 30 S CA -0.473 57.694 58.200 -0.056 0.000 1.013 30 S CB 1.050 64.223 63.200 -0.045 0.000 1.098 30 S HN 0.674 nan 8.310 nan 0.000 0.544 31 G N -0.624 108.155 108.800 -0.036 0.000 2.547 31 G HA2 0.502 4.462 3.960 0.000 0.000 0.291 31 G HA3 0.502 4.462 3.960 0.000 0.000 0.291 31 G C -0.533 174.341 174.900 -0.044 0.000 1.211 31 G CA -0.904 44.177 45.100 -0.032 0.000 0.950 31 G HN 0.839 nan 8.290 nan 0.000 0.504 32 V N 0.792 120.678 119.914 -0.047 0.000 2.529 32 V HA 0.385 4.505 4.120 0.000 0.000 0.292 32 V C 1.432 177.459 176.094 -0.112 0.000 1.028 32 V CA 0.148 62.394 62.300 -0.090 0.000 1.074 32 V CB 0.278 32.057 31.823 -0.074 0.000 0.958 32 V HN 0.898 nan 8.190 nan 0.000 0.481 33 G N 5.667 114.367 108.800 -0.167 0.000 2.553 33 G HA2 0.465 4.425 3.960 0.000 0.000 0.278 33 G HA3 0.465 4.425 3.960 0.000 0.000 0.278 33 G C -2.086 172.683 174.900 -0.217 0.000 1.349 33 G CA -0.946 44.063 45.100 -0.151 0.000 1.037 33 G HN 0.669 nan 8.290 nan 0.000 0.508 34 P HA 0.156 nan 4.420 nan 0.000 0.272 34 P C -1.222 175.954 177.300 -0.206 0.000 1.248 34 P CA 0.100 63.161 63.100 -0.065 0.000 0.799 34 P CB 0.498 32.202 31.700 0.007 0.000 0.997 35 F N -0.727 119.215 119.950 -0.012 0.000 2.449 35 F HA 0.290 4.817 4.527 0.000 0.000 0.342 35 F C 0.926 176.710 175.800 -0.026 0.000 1.127 35 F CA -0.491 57.495 58.000 -0.024 0.000 0.975 35 F CB 1.693 40.671 39.000 -0.036 0.000 1.146 35 F HN 0.091 nan 8.300 nan 0.000 0.444 36 S N 1.980 117.752 115.700 0.119 0.000 2.422 36 S HA 0.191 4.661 4.470 0.000 0.000 0.308 36 S C 1.054 175.670 174.600 0.027 0.000 1.097 36 S CA -0.380 57.864 58.200 0.075 0.000 1.099 36 S CB 1.068 64.303 63.200 0.058 0.000 0.976 36 S HN 0.759 nan 8.310 nan 0.000 0.471 37 T N 5.226 119.777 114.554 -0.004 0.000 2.881 37 T HA -0.088 4.262 4.350 0.000 0.000 0.270 37 T C 1.647 176.246 174.700 -0.169 0.000 1.068 37 T CA 1.141 63.151 62.100 -0.150 0.000 1.131 37 T CB -0.271 68.567 68.868 -0.050 0.000 0.871 37 T HN 0.539 nan 8.240 nan 0.000 0.479 38 L N 0.825 122.101 121.223 0.089 0.000 2.027 38 L HA 0.113 4.453 4.340 0.000 0.000 0.206 38 L C 2.088 179.094 176.870 0.227 0.000 1.074 38 L CA 1.611 56.606 54.840 0.259 0.000 0.745 38 L CB -0.561 41.609 42.059 0.185 0.000 0.898 38 L HN 0.266 nan 8.230 nan 0.000 0.433 39 L N -1.007 120.290 121.223 0.123 0.000 2.201 39 L HA -0.079 4.261 4.340 0.000 0.000 0.212 39 L C 2.312 179.256 176.870 0.123 0.000 1.105 39 L CA 0.953 55.880 54.840 0.144 0.000 0.775 39 L CB -1.201 40.917 42.059 0.098 0.000 0.913 39 L HN 0.458 nan 8.230 nan 0.000 0.440 40 G N -1.047 107.729 108.800 -0.041 0.000 2.598 40 G HA2 -0.213 3.747 3.960 0.000 0.000 0.215 40 G HA3 -0.213 3.747 3.960 0.000 0.000 0.215 40 G C 1.061 175.863 174.900 -0.162 0.000 1.131 40 G CA -0.114 44.892 45.100 -0.156 0.000 0.785 40 G HN 0.417 nan 8.290 nan 0.000 0.539 41 W N -1.344 120.080 121.300 0.207 0.000 2.658 41 W HA 0.317 4.977 4.660 0.000 0.000 0.263 41 W C 1.804 178.618 176.519 0.491 0.000 1.274 41 W CA -0.476 57.038 57.345 0.281 0.000 1.343 41 W CB -0.014 29.566 29.460 0.200 0.000 1.106 41 W HN 0.158 nan 8.180 nan 0.000 0.615 42 F N -0.811 119.393 119.950 0.422 0.000 2.637 42 F HA 0.458 4.985 4.527 0.000 0.000 0.284 42 F C 1.275 177.148 175.800 0.121 0.000 1.105 42 F CA 1.054 59.227 58.000 0.287 0.000 1.356 42 F CB -0.137 39.036 39.000 0.290 0.000 1.096 42 F HN -0.237 nan 8.300 nan 0.000 0.616 43 G N -0.496 108.411 108.800 0.179 0.000 3.058 43 G HA2 0.185 4.145 3.960 0.000 0.000 0.282 43 G HA3 0.185 4.145 3.960 0.000 0.000 0.282 43 G C -1.232 173.694 174.900 0.044 0.000 1.248 43 G CA -0.870 44.252 45.100 0.036 0.000 0.822 43 G HN -0.095 nan 8.290 nan 0.000 0.579 44 N N 0.325 119.042 118.700 0.029 0.000 2.441 44 N HA 0.280 5.020 4.740 0.000 0.000 0.251 44 N C 1.163 176.699 175.510 0.042 0.000 1.242 44 N CA 0.572 53.639 53.050 0.028 0.000 0.898 44 N CB 1.663 40.162 38.487 0.020 0.000 1.100 44 N HN 0.574 nan 8.380 nan 0.000 0.443 45 A N 2.123 124.981 122.820 0.063 0.000 1.984 45 A HA -0.061 4.259 4.320 0.000 0.000 0.214 45 A C 0.994 178.628 177.584 0.083 0.000 1.173 45 A CA 0.440 52.536 52.037 0.097 0.000 0.673 45 A CB -0.209 18.885 19.000 0.158 0.000 0.830 45 A HN 0.762 nan 8.150 nan 0.000 0.453 46 Q N 0.381 120.203 119.800 0.035 0.000 2.271 46 Q HA 0.288 4.628 4.340 0.000 0.000 0.273 46 Q C -1.484 174.374 176.000 -0.235 0.000 1.051 46 Q CA -0.151 55.478 55.803 -0.290 0.000 0.901 46 Q CB 0.238 28.850 28.738 -0.209 0.000 1.174 46 Q HN 0.309 nan 8.270 nan 0.000 0.385 47 L N 4.568 125.599 121.223 -0.319 0.000 2.264 47 L HA 0.561 4.901 4.340 0.000 0.000 0.289 47 L C 0.502 177.254 176.870 -0.197 0.000 1.044 47 L CA 1.173 55.903 54.840 -0.184 0.000 0.807 47 L CB 1.162 43.138 42.059 -0.139 0.000 1.192 47 L HN 0.887 nan 8.230 nan 0.000 0.425 48 G N 4.421 113.148 108.800 -0.121 0.000 2.796 48 G HA2 -0.114 3.846 3.960 0.000 0.000 0.571 48 G HA3 -0.114 3.846 3.960 0.000 0.000 0.571 48 G C -2.890 171.950 174.900 -0.101 0.000 1.370 48 G CA -0.832 44.210 45.100 -0.096 0.000 0.856 48 G HN 0.524 nan 8.290 nan 0.000 0.538 49 P HA 0.592 nan 4.420 nan 0.000 0.276 49 P C -0.204 177.088 177.300 -0.014 0.000 1.244 49 P CA -0.485 62.592 63.100 -0.039 0.000 0.801 49 P CB 1.467 33.150 31.700 -0.028 0.000 1.006 50 I N 1.273 121.843 120.570 -0.000 0.000 2.648 50 I HA 0.350 4.520 4.170 0.000 0.000 0.304 50 I C -0.945 175.210 176.117 0.063 0.000 1.009 50 I CA -1.429 59.889 61.300 0.029 0.000 1.114 50 I CB 1.583 39.600 38.000 0.030 0.000 1.293 50 I HN 0.246 nan 8.210 nan 0.000 0.449 51 Y N 6.971 127.225 120.300 -0.077 0.000 2.326 51 Y HA 0.482 5.032 4.550 0.000 0.000 0.337 51 Y C -1.055 174.795 175.900 -0.085 0.000 1.023 51 Y CA -0.445 57.605 58.100 -0.084 0.000 1.143 51 Y CB 0.923 39.318 38.460 -0.108 0.000 1.183 51 Y HN 0.353 nan 8.280 nan 0.000 0.485 52 L N 7.554 128.665 121.223 -0.186 0.000 2.408 52 L HA 0.432 4.772 4.340 0.000 0.000 0.257 52 L C 0.604 177.355 176.870 -0.197 0.000 1.053 52 L CA -0.470 54.310 54.840 -0.099 0.000 0.922 52 L CB 0.541 42.557 42.059 -0.073 0.000 1.261 52 L HN 0.884 nan 8.230 nan 0.000 0.458 53 G N 0.541 109.319 108.800 -0.036 0.000 2.509 53 G HA2 0.225 4.185 3.960 0.000 0.000 0.269 53 G HA3 0.225 4.185 3.960 0.000 0.000 0.269 53 G C 0.844 175.753 174.900 0.015 0.000 1.416 53 G CA -0.102 44.998 45.100 -0.000 0.000 1.052 53 G HN 0.475 nan 8.290 nan 0.000 0.542 54 S N -0.661 115.057 115.700 0.030 0.000 2.355 54 S HA -0.073 4.397 4.470 0.000 0.000 0.222 54 S C 2.411 177.041 174.600 0.051 0.000 1.031 54 S CA 0.700 58.917 58.200 0.029 0.000 0.993 54 S CB -0.367 62.850 63.200 0.029 0.000 0.859 54 S HN 0.353 nan 8.310 nan 0.000 0.453 55 L N 1.242 122.497 121.223 0.054 0.000 2.131 55 L HA -0.065 4.275 4.340 0.000 0.000 0.210 55 L C 2.769 179.679 176.870 0.066 0.000 1.092 55 L CA 1.148 56.025 54.840 0.061 0.000 0.759 55 L CB -1.233 40.844 42.059 0.030 0.000 0.903 55 L HN 0.454 nan 8.230 nan 0.000 0.435 56 G N -0.335 108.488 108.800 0.038 0.000 2.446 56 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 56 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 56 G C 1.559 176.524 174.900 0.108 0.000 1.168 56 G CA 1.002 46.123 45.100 0.034 0.000 0.771 56 G HN 0.212 nan 8.290 nan 0.000 0.551 57 V N 0.771 120.736 119.914 0.085 0.000 2.488 57 V HA -0.051 4.069 4.120 0.000 0.000 0.246 57 V C 2.614 178.799 176.094 0.152 0.000 1.046 57 V CA 1.391 63.751 62.300 0.100 0.000 1.053 57 V CB -0.294 31.555 31.823 0.043 0.000 0.679 57 V HN 0.366 nan 8.190 nan 0.000 0.458 58 L N 0.107 121.416 121.223 0.143 0.000 2.083 58 L HA -0.116 4.224 4.340 0.000 0.000 0.209 58 L C 2.446 179.455 176.870 0.231 0.000 1.083 58 L CA 2.391 57.347 54.840 0.194 0.000 0.752 58 L CB -0.808 41.346 42.059 0.158 0.000 0.899 58 L HN 0.268 nan 8.230 nan 0.000 0.433 59 S N -1.095 114.738 115.700 0.222 0.000 2.371 59 S HA -0.064 4.406 4.470 0.000 0.000 0.224 59 S C 1.979 176.713 174.600 0.224 0.000 1.029 59 S CA 1.262 59.617 58.200 0.257 0.000 0.978 59 S CB -0.326 63.129 63.200 0.426 0.000 0.833 59 S HN 0.510 nan 8.310 nan 0.000 0.466 60 L N 0.049 121.419 121.223 0.244 0.000 2.156 60 L HA 0.020 4.360 4.340 0.000 0.000 0.208 60 L C 2.153 179.125 176.870 0.169 0.000 1.095 60 L CA 1.119 56.076 54.840 0.196 0.000 0.770 60 L CB -0.387 41.793 42.059 0.201 0.000 0.914 60 L HN 0.392 nan 8.230 nan 0.000 0.439 61 F N -0.051 119.922 119.950 0.039 0.000 2.128 61 F HA -0.174 4.353 4.527 0.000 0.000 0.295 61 F C 2.568 178.331 175.800 -0.063 0.000 1.100 61 F CA 1.667 59.657 58.000 -0.017 0.000 1.260 61 F CB -0.383 38.608 39.000 -0.015 0.000 1.009 61 F HN -0.074 nan 8.300 nan 0.000 0.476 62 S N 0.423 116.045 115.700 -0.129 0.000 2.368 62 S HA -0.108 4.363 4.470 0.000 0.000 0.225 62 S C 2.344 176.853 174.600 -0.151 0.000 1.030 62 S CA 1.139 59.202 58.200 -0.227 0.000 0.999 62 S CB -1.327 61.915 63.200 0.070 0.000 0.844 62 S HN 0.609 nan 8.310 nan 0.000 0.459 63 G N 1.648 110.428 108.800 -0.034 0.000 2.418 63 G HA2 -0.130 3.830 3.960 0.000 0.000 0.217 63 G HA3 -0.130 3.830 3.960 0.000 0.000 0.217 63 G C 1.326 176.329 174.900 0.171 0.000 1.158 63 G CA 0.545 45.683 45.100 0.063 0.000 0.771 63 G HN 0.428 nan 8.290 nan 0.000 0.545 64 L N -0.108 121.118 121.223 0.005 0.000 2.156 64 L HA 0.020 4.360 4.340 0.000 0.000 0.208 64 L C 2.932 179.729 176.870 -0.121 0.000 1.095 64 L CA 0.461 55.305 54.840 0.006 0.000 0.770 64 L CB -0.216 41.824 42.059 -0.032 0.000 0.914 64 L HN 0.169 nan 8.230 nan 0.000 0.439 65 M N -1.616 117.695 119.600 -0.482 0.000 2.319 65 M HA -0.197 4.283 4.480 0.000 0.000 0.265 65 M C 1.970 178.116 176.300 -0.257 0.000 1.068 65 M CA 1.324 56.185 55.300 -0.731 0.000 1.118 65 M CB -1.005 30.471 32.600 -1.873 0.000 1.395 65 M HN 0.430 nan 8.290 nan 0.000 0.435 66 W N 0.336 121.507 121.300 -0.216 0.000 2.378 66 W HA -0.222 4.438 4.660 0.000 0.000 0.313 66 W C 2.006 178.508 176.519 -0.028 0.000 1.197 66 W CA 1.097 58.426 57.345 -0.027 0.000 1.304 66 W CB -0.788 28.663 29.460 -0.016 0.000 1.148 66 W HN 0.138 nan 8.180 nan 0.000 0.494 67 F N 0.248 119.976 119.950 -0.371 0.000 2.407 67 F HA -0.083 4.444 4.527 0.000 0.000 0.299 67 F C 2.016 177.648 175.800 -0.279 0.000 1.097 67 F CA 1.231 58.884 58.000 -0.577 0.000 1.422 67 F CB -1.020 37.769 39.000 -0.352 0.000 1.067 67 F HN 0.009 nan 8.300 nan 0.000 0.539 68 F N 0.350 120.113 119.950 -0.311 0.000 2.206 68 F HA -0.121 4.406 4.527 0.000 0.000 0.298 68 F C 2.184 177.834 175.800 -0.251 0.000 1.090 68 F CA 2.009 59.840 58.000 -0.282 0.000 1.323 68 F CB -0.775 38.109 39.000 -0.193 0.000 1.028 68 F HN -0.172 nan 8.300 nan 0.000 0.492 69 T N 1.223 115.712 114.554 -0.107 0.000 2.857 69 T HA -0.062 4.288 4.350 0.000 0.000 0.266 69 T C 2.048 176.579 174.700 -0.282 0.000 1.048 69 T CA 1.704 63.723 62.100 -0.134 0.000 1.139 69 T CB -0.318 68.582 68.868 0.055 0.000 0.874 69 T HN 0.264 nan 8.240 nan 0.000 0.455 70 I N 1.278 121.548 120.570 -0.500 0.000 2.286 70 I HA -0.004 4.166 4.170 0.000 0.000 0.245 70 I C 2.908 178.591 176.117 -0.723 0.000 1.104 70 I CA 1.116 62.052 61.300 -0.608 0.000 1.397 70 I CB -0.697 36.788 38.000 -0.859 0.000 1.072 70 I HN 0.282 nan 8.210 nan 0.000 0.417 71 G N 2.113 110.425 108.800 -0.812 0.000 2.446 71 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 71 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 71 G C 1.681 176.461 174.900 -0.200 0.000 1.168 71 G CA 1.227 45.957 45.100 -0.617 0.000 0.771 71 G HN 0.560 nan 8.290 nan 0.000 0.551 72 I N -3.164 117.246 120.570 -0.267 0.000 2.286 72 I HA -0.051 4.119 4.170 0.000 0.000 0.248 72 I C 2.533 178.683 176.117 0.055 0.000 1.115 72 I CA 1.050 62.306 61.300 -0.073 0.000 1.392 72 I CB -0.491 37.367 38.000 -0.237 0.000 1.065 72 I HN 0.346 nan 8.210 nan 0.000 0.418 73 W N 1.871 123.112 121.300 -0.099 0.000 2.338 73 W HA -0.245 4.415 4.660 0.000 0.000 0.304 73 W C 2.065 178.604 176.519 0.035 0.000 1.212 73 W CA 1.156 58.498 57.345 -0.005 0.000 1.264 73 W CB -0.187 29.304 29.460 0.051 0.000 1.142 73 W HN 0.129 nan 8.180 nan 0.000 0.512 74 F N -0.691 119.045 119.950 -0.356 0.000 2.186 74 F HA -0.112 4.415 4.527 0.000 0.000 0.299 74 F C 1.983 177.209 175.800 -0.958 0.000 1.090 74 F CA 0.987 58.537 58.000 -0.750 0.000 1.307 74 F CB -1.613 37.194 39.000 -0.322 0.000 1.019 74 F HN -0.092 nan 8.300 nan 0.000 0.489 75 W N -1.704 119.339 121.300 -0.429 0.000 2.467 75 W HA -0.192 4.468 4.660 0.000 0.000 0.275 75 W C 2.520 178.204 176.519 -1.392 0.000 1.239 75 W CA 1.110 58.024 57.345 -0.720 0.000 1.266 75 W CB -0.735 28.358 29.460 -0.612 0.000 1.112 75 W HN 0.053 nan 8.180 nan 0.000 0.576 76 Y N 1.014 120.579 120.300 -1.225 0.000 2.200 76 Y HA -0.240 4.310 4.550 0.000 0.000 0.290 76 Y C 2.256 177.581 175.900 -0.959 0.000 1.137 76 Y CA 1.991 59.370 58.100 -1.201 0.000 1.163 76 Y CB -0.611 37.472 38.460 -0.628 0.000 0.988 76 Y HN -0.032 nan 8.280 nan 0.000 0.518 77 Q N -0.468 118.804 119.800 -0.880 0.000 2.224 77 Q HA -0.074 4.266 4.340 0.000 0.000 0.203 77 Q C 2.226 177.827 176.000 -0.665 0.000 0.970 77 Q CA 0.946 56.274 55.803 -0.791 0.000 0.865 77 Q CB -0.171 28.003 28.738 -0.939 0.000 0.922 77 Q HN 0.596 nan 8.270 nan 0.000 0.445 78 A N 0.081 122.433 122.820 -0.781 0.000 2.169 78 A HA 0.213 4.533 4.320 0.000 0.000 0.212 78 A C 1.533 178.950 177.584 -0.277 0.000 1.153 78 A CA 0.858 52.669 52.037 -0.377 0.000 0.756 78 A CB -0.276 18.537 19.000 -0.313 0.000 0.813 78 A HN 0.442 nan 8.150 nan 0.000 0.471 79 G N -3.108 105.396 108.800 -0.494 0.000 2.147 79 G HA2 -0.305 3.655 3.960 0.000 0.000 0.244 79 G HA3 -0.305 3.655 3.960 0.000 0.000 0.244 79 G C 0.297 175.139 174.900 -0.097 0.000 1.005 79 G CA 0.247 45.127 45.100 -0.367 0.000 0.713 79 G HN 1.055 nan 8.290 nan 0.000 0.515 80 W N -1.956 119.419 121.300 0.125 0.000 2.589 80 W HA -0.212 4.448 4.660 0.000 0.000 0.272 80 W C 0.761 177.476 176.519 0.326 0.000 1.060 80 W CA 0.386 57.902 57.345 0.285 0.000 0.533 80 W CB -1.779 27.706 29.460 0.042 0.000 2.084 80 W HN 0.617 nan 8.180 nan 0.000 1.371 81 N N 1.319 120.236 118.700 0.361 0.000 2.415 81 N HA 0.165 4.905 4.740 0.000 0.000 0.246 81 N C -1.143 174.567 175.510 0.333 0.000 1.078 81 N CA -1.604 51.612 53.050 0.277 0.000 0.942 81 N CB 1.219 39.787 38.487 0.134 0.000 1.140 81 N HN -0.178 nan 8.380 nan 0.000 0.501 82 P HA -0.119 nan 4.420 nan 0.000 0.216 82 P C 0.774 178.221 177.300 0.246 0.000 1.150 82 P CA 1.401 64.764 63.100 0.438 0.000 0.843 82 P CB 0.254 32.188 31.700 0.390 0.000 0.787 83 A N -0.966 121.951 122.820 0.162 0.000 2.015 83 A HA -0.097 4.223 4.320 0.000 0.000 0.219 83 A C 2.180 179.791 177.584 0.045 0.000 1.163 83 A CA 1.407 53.498 52.037 0.089 0.000 0.646 83 A CB -1.439 17.596 19.000 0.057 0.000 0.806 83 A HN 0.064 nan 8.150 nan 0.000 0.448 84 V N -1.449 118.500 119.914 0.058 0.000 2.788 84 V HA -0.118 4.002 4.120 0.000 0.000 0.251 84 V C 2.096 178.221 176.094 0.052 0.000 1.068 84 V CA 1.457 63.768 62.300 0.018 0.000 1.090 84 V CB -0.902 30.935 31.823 0.023 0.000 0.710 84 V HN 0.617 nan 8.190 nan 0.000 0.467 85 F N 1.032 120.916 119.950 -0.111 0.000 2.031 85 F HA -0.159 4.368 4.527 0.000 0.000 0.295 85 F C 2.026 177.769 175.800 -0.095 0.000 1.133 85 F CA 1.841 59.737 58.000 -0.173 0.000 1.188 85 F CB -0.299 38.201 39.000 -0.834 0.000 0.974 85 F HN 0.005 nan 8.300 nan 0.000 0.473 86 L N 0.534 121.743 121.223 -0.024 0.000 2.191 86 L HA -0.194 4.146 4.340 0.000 0.000 0.212 86 L C 2.474 179.211 176.870 -0.221 0.000 1.103 86 L CA 1.629 56.400 54.840 -0.115 0.000 0.769 86 L CB -0.652 41.437 42.059 0.051 0.000 0.908 86 L HN 0.275 nan 8.230 nan 0.000 0.438 87 R N -1.263 119.117 120.500 -0.201 0.000 2.200 87 R HA -0.015 4.325 4.340 0.000 0.000 0.208 87 R C 0.359 176.453 176.300 -0.342 0.000 1.033 87 R CA 1.032 56.994 56.100 -0.230 0.000 1.000 87 R CB -0.048 30.144 30.300 -0.180 0.000 0.906 87 R HN 0.144 nan 8.270 nan 0.000 0.462 88 D N 0.200 120.273 120.400 -0.546 0.000 2.599 88 D HA 0.090 4.730 4.640 0.000 0.000 0.249 88 D C 1.155 176.629 176.300 -1.376 0.000 1.313 88 D CA -0.252 53.260 54.000 -0.814 0.000 0.815 88 D CB 0.434 40.610 40.800 -1.040 0.000 1.077 88 D HN 0.083 nan 8.370 nan 0.000 0.492 89 L N -0.036 120.630 121.223 -0.928 0.000 2.034 89 L HA -0.264 4.076 4.340 0.000 0.000 0.217 89 L C 1.755 178.446 176.870 -0.299 0.000 1.077 89 L CA 1.499 55.964 54.840 -0.626 0.000 0.769 89 L CB -0.162 41.662 42.059 -0.392 0.000 0.890 89 L HN 0.031 nan 8.230 nan 0.000 0.435 90 F N -0.664 118.933 119.950 -0.589 0.000 2.216 90 F HA -0.184 4.343 4.527 0.000 0.000 0.300 90 F C 2.093 177.383 175.800 -0.851 0.000 1.085 90 F CA 1.055 58.563 58.000 -0.820 0.000 1.326 90 F CB -0.799 37.494 39.000 -1.178 0.000 1.027 90 F HN 0.052 nan 8.300 nan 0.000 0.497 91 F N -2.086 117.543 119.950 -0.536 0.000 2.754 91 F HA 0.096 4.623 4.527 0.000 0.000 0.297 91 F C 0.752 176.346 175.800 -0.343 0.000 1.122 91 F CA -0.475 57.337 58.000 -0.314 0.000 1.400 91 F CB -0.854 37.983 39.000 -0.272 0.000 1.117 91 F HN -0.344 nan 8.300 nan 0.000 0.587 92 F N 0.217 119.958 119.950 -0.348 0.000 2.450 92 F HA 0.403 4.930 4.527 0.000 0.000 0.339 92 F C 0.740 176.227 175.800 -0.521 0.000 1.146 92 F CA -1.047 56.526 58.000 -0.713 0.000 1.267 92 F CB 0.465 38.431 39.000 -1.723 0.000 1.178 92 F HN -0.349 nan 8.300 nan 0.000 0.585 93 S N 2.273 118.010 115.700 0.061 0.000 2.592 93 S HA 0.408 4.878 4.470 0.000 0.000 0.275 93 S C -1.457 173.532 174.600 0.648 0.000 1.169 93 S CA -0.755 57.675 58.200 0.384 0.000 0.958 93 S CB 0.656 64.027 63.200 0.286 0.000 1.095 93 S HN 0.646 nan 8.310 nan 0.000 0.471 94 L N 4.719 126.380 121.223 0.730 0.000 2.288 94 L HA 0.468 4.808 4.340 0.000 0.000 0.283 94 L C -0.082 177.035 176.870 0.413 0.000 1.072 94 L CA -0.398 54.742 54.840 0.501 0.000 0.862 94 L CB 0.409 42.762 42.059 0.490 0.000 1.245 94 L HN 0.686 nan 8.230 nan 0.000 0.432 95 E N 5.318 125.632 120.200 0.189 0.000 2.366 95 E HA 0.282 4.633 4.350 0.000 0.000 0.266 95 E C -2.220 174.196 176.600 -0.305 0.000 1.051 95 E CA -1.767 54.625 56.400 -0.013 0.000 0.884 95 E CB 0.699 30.421 29.700 0.038 0.000 1.006 95 E HN 0.378 nan 8.360 nan 0.000 0.417 96 P HA 0.095 nan 4.420 nan 0.000 0.272 96 P C -2.465 174.598 177.300 -0.395 0.000 1.254 96 P CA -1.018 61.388 63.100 -1.156 0.000 0.795 96 P CB -0.539 30.338 31.700 -1.373 0.000 1.022 97 P HA 0.027 nan 4.420 nan 0.000 0.266 97 P C -0.355 176.991 177.300 0.077 0.000 1.193 97 P CA 0.523 63.594 63.100 -0.047 0.000 0.770 97 P CB 0.051 31.777 31.700 0.044 0.000 0.836 98 A N 5.656 128.610 122.820 0.223 0.000 2.448 98 A HA 0.184 4.504 4.320 0.000 0.000 0.239 98 A C -1.177 176.536 177.584 0.214 0.000 1.080 98 A CA -0.669 51.495 52.037 0.213 0.000 0.779 98 A CB -1.135 18.011 19.000 0.244 0.000 1.026 98 A HN 0.448 nan 8.150 nan 0.000 0.499 99 P HA -0.218 nan 4.420 nan 0.000 0.216 99 P C 0.882 178.197 177.300 0.025 0.000 1.154 99 P CA 1.974 65.103 63.100 0.049 0.000 0.865 99 P CB -0.031 31.675 31.700 0.011 0.000 0.789 100 E N -1.781 118.389 120.200 -0.049 0.000 2.208 100 E HA -0.241 4.109 4.350 0.000 0.000 0.202 100 E C 1.404 177.858 176.600 -0.242 0.000 1.014 100 E CA 1.347 57.624 56.400 -0.205 0.000 0.819 100 E CB -0.813 28.634 29.700 -0.421 0.000 0.735 100 E HN 0.494 nan 8.360 nan 0.000 0.469 101 Y N -0.113 120.209 120.300 0.037 0.000 2.511 101 Y HA 0.157 4.707 4.550 0.000 0.000 0.279 101 Y C 1.752 177.681 175.900 0.047 0.000 1.157 101 Y CA 0.256 58.394 58.100 0.063 0.000 1.300 101 Y CB 0.026 38.556 38.460 0.117 0.000 1.052 101 Y HN 0.124 nan 8.280 nan 0.000 0.529 102 G N 1.038 109.913 108.800 0.124 0.000 2.596 102 G HA2 -0.344 3.616 3.960 0.000 0.000 0.295 102 G HA3 -0.344 3.616 3.960 0.000 0.000 0.295 102 G C 0.330 175.157 174.900 -0.121 0.000 1.240 102 G CA 0.396 45.487 45.100 -0.014 0.000 0.985 102 G HN 0.249 nan 8.290 nan 0.000 0.555 103 L N 1.946 123.031 121.223 -0.230 0.000 2.783 103 L HA 0.386 4.726 4.340 0.000 0.000 0.236 103 L C 1.579 178.464 176.870 0.026 0.000 1.225 103 L CA 0.431 55.014 54.840 -0.429 0.000 1.026 103 L CB -0.165 41.589 42.059 -0.509 0.000 1.314 103 L HN 0.675 nan 8.230 nan 0.000 0.489 104 S N -1.192 114.601 115.700 0.154 0.000 2.632 104 S HA 0.298 4.769 4.470 0.000 0.000 0.267 104 S C 0.430 175.308 174.600 0.462 0.000 1.276 104 S CA -0.421 57.867 58.200 0.148 0.000 0.998 104 S CB 0.871 64.167 63.200 0.160 0.000 0.953 104 S HN 0.132 nan 8.310 nan 0.000 0.547 105 F N 0.295 120.363 119.950 0.198 0.000 2.727 105 F HA 0.428 4.955 4.527 0.000 0.000 0.302 105 F C 2.115 177.938 175.800 0.038 0.000 1.097 105 F CA -0.901 57.165 58.000 0.110 0.000 1.330 105 F CB -1.282 37.750 39.000 0.054 0.000 1.084 105 F HN 0.772 nan 8.300 nan 0.000 0.578 106 A N 0.332 123.292 122.820 0.233 0.000 2.239 106 A HA 0.353 4.673 4.320 0.000 0.000 0.209 106 A C 1.579 179.182 177.584 0.031 0.000 1.171 106 A CA 0.526 52.653 52.037 0.150 0.000 0.768 106 A CB -1.045 18.073 19.000 0.196 0.000 0.790 106 A HN 0.133 nan 8.150 nan 0.000 0.478 107 A N 0.929 123.636 122.820 -0.188 0.000 2.531 107 A HA 0.453 4.773 4.320 0.000 0.000 0.236 107 A C -1.998 175.445 177.584 -0.235 0.000 1.062 107 A CA -0.796 50.910 52.037 -0.552 0.000 0.760 107 A CB -0.403 18.209 19.000 -0.647 0.000 0.995 107 A HN 0.300 nan 8.150 nan 0.000 0.501 108 P HA 0.115 nan 4.420 nan 0.000 0.270 108 P C 0.887 178.113 177.300 -0.122 0.000 1.223 108 P CA -0.356 62.695 63.100 -0.082 0.000 0.785 108 P CB 0.386 32.074 31.700 -0.019 0.000 0.923 109 L N 1.042 122.208 121.223 -0.095 0.000 2.046 109 L HA -0.191 4.149 4.340 0.000 0.000 0.208 109 L C 1.832 178.545 176.870 -0.263 0.000 1.077 109 L CA 1.783 56.539 54.840 -0.139 0.000 0.747 109 L CB -0.594 41.417 42.059 -0.079 0.000 0.896 109 L HN 0.431 nan 8.230 nan 0.000 0.432 110 K N -0.084 120.184 120.400 -0.221 0.000 2.459 110 K HA 0.006 4.326 4.320 0.000 0.000 0.193 110 K C 0.347 176.770 176.600 -0.296 0.000 1.030 110 K CA 0.477 56.559 56.287 -0.342 0.000 1.026 110 K CB 0.203 32.687 32.500 -0.028 0.000 0.809 110 K HN 0.332 nan 8.250 nan 0.000 0.504 111 E N 0.096 120.180 120.200 -0.193 0.000 3.167 111 E HA 0.154 4.504 4.350 0.000 0.000 0.210 111 E C 0.162 176.651 176.600 -0.185 0.000 1.004 111 E CA -0.289 56.036 56.400 -0.126 0.000 1.256 111 E CB 1.102 30.786 29.700 -0.027 0.000 1.193 111 E HN 0.380 nan 8.360 nan 0.000 0.448 112 G N -0.151 108.516 108.800 -0.222 0.000 2.205 112 G HA2 -0.227 3.733 3.960 0.000 0.000 0.180 112 G HA3 -0.227 3.733 3.960 0.000 0.000 0.180 112 G C 0.951 175.795 174.900 -0.093 0.000 1.004 112 G CA -0.196 44.819 45.100 -0.142 0.000 0.670 112 G HN 0.488 nan 8.290 nan 0.000 0.496 113 G N 0.415 109.118 108.800 -0.163 0.000 2.396 113 G HA2 0.219 4.179 3.960 0.000 0.000 0.214 113 G HA3 0.219 4.179 3.960 0.000 0.000 0.214 113 G C 1.630 176.451 174.900 -0.131 0.000 1.166 113 G CA 1.382 46.399 45.100 -0.138 0.000 0.793 113 G HN 0.425 nan 8.290 nan 0.000 0.533 114 L N -0.525 120.594 121.223 -0.173 0.000 2.141 114 L HA 0.115 4.455 4.340 0.000 0.000 0.209 114 L C 2.260 179.080 176.870 -0.083 0.000 1.094 114 L CA 0.704 55.451 54.840 -0.155 0.000 0.763 114 L CB -0.933 40.955 42.059 -0.285 0.000 0.908 114 L HN 0.516 nan 8.230 nan 0.000 0.437 115 W N -0.069 121.117 121.300 -0.190 0.000 2.355 115 W HA -0.219 4.441 4.660 0.000 0.000 0.309 115 W C 2.317 178.813 176.519 -0.039 0.000 1.206 115 W CA 1.604 58.932 57.345 -0.028 0.000 1.284 115 W CB -0.227 29.196 29.460 -0.061 0.000 1.145 115 W HN 0.052 nan 8.180 nan 0.000 0.502 116 L N 0.121 121.329 121.223 -0.025 0.000 2.083 116 L HA -0.229 4.111 4.340 0.000 0.000 0.209 116 L C 2.389 179.035 176.870 -0.374 0.000 1.083 116 L CA 1.294 55.932 54.840 -0.336 0.000 0.752 116 L CB -0.707 41.153 42.059 -0.331 0.000 0.899 116 L HN 0.038 nan 8.230 nan 0.000 0.433 117 I N -0.451 119.959 120.570 -0.267 0.000 2.315 117 I HA -0.245 3.925 4.170 0.000 0.000 0.248 117 I C 2.727 178.749 176.117 -0.158 0.000 1.117 117 I CA 1.004 62.143 61.300 -0.269 0.000 1.404 117 I CB -0.384 37.534 38.000 -0.138 0.000 1.071 117 I HN 0.192 nan 8.210 nan 0.000 0.419 118 A N 0.004 122.764 122.820 -0.100 0.000 1.930 118 A HA -0.158 4.162 4.320 0.000 0.000 0.217 118 A C 2.460 180.069 177.584 0.042 0.000 1.175 118 A CA 1.953 53.981 52.037 -0.015 0.000 0.627 118 A CB -0.568 18.215 19.000 -0.361 0.000 0.815 118 A HN 0.361 nan 8.150 nan 0.000 0.443 119 S N -1.218 114.350 115.700 -0.219 0.000 2.406 119 S HA -0.054 4.417 4.470 0.000 0.000 0.228 119 S C 1.579 176.253 174.600 0.123 0.000 1.020 119 S CA 1.130 59.248 58.200 -0.137 0.000 0.965 119 S CB -0.431 62.338 63.200 -0.718 0.000 0.798 119 S HN 0.640 nan 8.310 nan 0.000 0.488 120 F N 1.707 121.551 119.950 -0.178 0.000 2.146 120 F HA -0.022 4.505 4.527 0.000 0.000 0.298 120 F C 1.602 177.403 175.800 0.001 0.000 1.096 120 F CA 1.109 59.002 58.000 -0.179 0.000 1.275 120 F CB -0.371 38.339 39.000 -0.483 0.000 1.008 120 F HN 0.099 nan 8.300 nan 0.000 0.480 121 F N 0.119 120.112 119.950 0.072 0.000 2.146 121 F HA -0.173 4.354 4.527 0.000 0.000 0.298 121 F C 2.597 178.351 175.800 -0.076 0.000 1.096 121 F CA 1.572 59.559 58.000 -0.021 0.000 1.275 121 F CB -1.154 37.917 39.000 0.119 0.000 1.008 121 F HN 0.073 nan 8.300 nan 0.000 0.480 122 M N -1.293 118.362 119.600 0.092 0.000 2.132 122 M HA -0.219 4.261 4.480 0.000 0.000 0.263 122 M C 2.288 178.642 176.300 0.091 0.000 1.065 122 M CA 1.610 56.760 55.300 -0.250 0.000 1.122 122 M CB -0.452 31.904 32.600 -0.408 0.000 1.365 122 M HN 0.131 nan 8.290 nan 0.000 0.411 123 F N 0.304 120.390 119.950 0.226 0.000 2.065 123 F HA -0.242 4.285 4.527 0.000 0.000 0.298 123 F C 1.824 177.765 175.800 0.235 0.000 1.112 123 F CA 2.078 60.289 58.000 0.350 0.000 1.212 123 F CB -0.575 38.437 39.000 0.020 0.000 0.975 123 F HN -0.064 nan 8.300 nan 0.000 0.476 124 V N 0.485 120.524 119.914 0.207 0.000 2.307 124 V HA -0.288 3.832 4.120 0.000 0.000 0.245 124 V C 2.745 178.887 176.094 0.081 0.000 1.045 124 V CA 1.731 64.098 62.300 0.112 0.000 1.024 124 V CB -1.630 30.145 31.823 -0.080 0.000 0.651 124 V HN 0.503 nan 8.190 nan 0.000 0.449 125 A N -0.130 122.699 122.820 0.014 0.000 1.883 125 A HA -0.189 4.131 4.320 0.000 0.000 0.217 125 A C 2.374 179.921 177.584 -0.063 0.000 1.186 125 A CA 2.365 54.390 52.037 -0.020 0.000 0.624 125 A CB -0.733 18.191 19.000 -0.128 0.000 0.822 125 A HN 0.354 nan 8.150 nan 0.000 0.444 126 V N -2.868 116.873 119.914 -0.288 0.000 2.453 126 V HA -0.217 3.903 4.120 0.000 0.000 0.247 126 V C 2.152 178.018 176.094 -0.381 0.000 1.048 126 V CA 1.473 63.465 62.300 -0.513 0.000 1.049 126 V CB -0.850 30.207 31.823 -1.278 0.000 0.672 126 V HN 0.783 nan 8.190 nan 0.000 0.457 127 W N 0.634 121.774 121.300 -0.266 0.000 2.476 127 W HA -0.093 4.567 4.660 0.000 0.000 0.281 127 W C 2.829 179.394 176.519 0.077 0.000 1.230 127 W CA 1.098 58.343 57.345 -0.166 0.000 1.287 127 W CB -0.179 29.069 29.460 -0.355 0.000 1.108 127 W HN 0.316 nan 8.180 nan 0.000 0.567 128 S N -1.109 114.769 115.700 0.297 0.000 2.406 128 S HA -0.216 4.254 4.470 0.000 0.000 0.228 128 S C 1.632 176.393 174.600 0.268 0.000 1.020 128 S CA 0.686 59.041 58.200 0.260 0.000 0.965 128 S CB -1.133 62.190 63.200 0.205 0.000 0.798 128 S HN 0.451 nan 8.310 nan 0.000 0.488 129 W N 0.901 122.270 121.300 0.115 0.000 2.402 129 W HA -0.049 4.611 4.660 0.000 0.000 0.286 129 W C 1.860 178.534 176.519 0.259 0.000 1.221 129 W CA 0.823 58.254 57.345 0.143 0.000 1.257 129 W CB -0.384 29.162 29.460 0.144 0.000 1.120 129 W HN 0.499 nan 8.180 nan 0.000 0.551 130 W N 1.458 122.945 121.300 0.313 0.000 2.358 130 W HA -0.079 4.581 4.660 0.000 0.000 0.303 130 W C 2.459 179.061 176.519 0.138 0.000 1.208 130 W CA 3.134 60.586 57.345 0.179 0.000 1.274 130 W CB -0.849 28.487 29.460 -0.207 0.000 1.138 130 W HN -0.126 nan 8.180 nan 0.000 0.515 131 G N 0.496 109.391 108.800 0.159 0.000 2.469 131 G HA2 -0.367 3.594 3.960 0.000 0.000 0.219 131 G HA3 -0.367 3.594 3.960 0.000 0.000 0.219 131 G C 1.621 176.395 174.900 -0.210 0.000 1.150 131 G CA 1.216 46.278 45.100 -0.063 0.000 0.763 131 G HN 0.350 nan 8.290 nan 0.000 0.561 132 R N -0.381 119.998 120.500 -0.201 0.000 2.115 132 R HA -0.041 4.299 4.340 0.000 0.000 0.230 132 R C 2.444 178.499 176.300 -0.408 0.000 1.111 132 R CA 1.696 57.599 56.100 -0.329 0.000 0.976 132 R CB -0.426 29.594 30.300 -0.467 0.000 0.870 132 R HN 0.297 nan 8.270 nan 0.000 0.445 133 T N -0.103 114.211 114.554 -0.401 0.000 2.904 133 T HA -0.138 4.212 4.350 0.000 0.000 0.267 133 T C 1.115 175.566 174.700 -0.415 0.000 1.059 133 T CA 1.163 63.042 62.100 -0.367 0.000 1.137 133 T CB -0.253 68.505 68.868 -0.183 0.000 0.879 133 T HN 0.360 nan 8.240 nan 0.000 0.467 134 Y N 1.394 121.307 120.300 -0.646 0.000 2.176 134 Y HA 0.081 4.631 4.550 0.000 0.000 0.291 134 Y C 1.951 177.588 175.900 -0.438 0.000 1.122 134 Y CA 1.126 58.847 58.100 -0.631 0.000 1.128 134 Y CB -0.280 37.707 38.460 -0.788 0.000 1.005 134 Y HN 0.072 nan 8.280 nan 0.000 0.509 135 L N -0.139 120.988 121.223 -0.160 0.000 2.093 135 L HA -0.186 4.154 4.340 0.000 0.000 0.208 135 L C 2.409 179.097 176.870 -0.304 0.000 1.085 135 L CA 0.946 55.686 54.840 -0.167 0.000 0.755 135 L CB -0.503 41.483 42.059 -0.122 0.000 0.904 135 L HN 0.124 nan 8.230 nan 0.000 0.435 136 R N 0.272 120.548 120.500 -0.373 0.000 2.189 136 R HA -0.038 4.302 4.340 0.000 0.000 0.223 136 R C 2.182 178.271 176.300 -0.352 0.000 1.092 136 R CA 1.214 57.064 56.100 -0.416 0.000 0.989 136 R CB -0.560 29.484 30.300 -0.426 0.000 0.876 136 R HN 0.360 nan 8.270 nan 0.000 0.457 137 A N 0.711 123.309 122.820 -0.370 0.000 1.930 137 A HA -0.138 4.183 4.320 0.000 0.000 0.215 137 A C 2.150 179.532 177.584 -0.338 0.000 1.176 137 A CA 0.866 52.690 52.037 -0.354 0.000 0.632 137 A CB -0.249 18.492 19.000 -0.432 0.000 0.819 137 A HN 0.312 nan 8.150 nan 0.000 0.445 138 Q N -0.293 119.282 119.800 -0.375 0.000 2.079 138 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 138 Q C 2.078 177.963 176.000 -0.193 0.000 0.974 138 Q CA 1.459 57.092 55.803 -0.283 0.000 0.840 138 Q CB -0.337 28.256 28.738 -0.240 0.000 0.898 138 Q HN 0.562 nan 8.270 nan 0.000 0.430 139 A N 0.368 123.064 122.820 -0.207 0.000 2.019 139 A HA -0.092 4.228 4.320 0.000 0.000 0.219 139 A C 1.772 179.261 177.584 -0.157 0.000 1.164 139 A CA 0.996 52.927 52.037 -0.176 0.000 0.644 139 A CB -0.311 18.546 19.000 -0.239 0.000 0.805 139 A HN 0.455 nan 8.150 nan 0.000 0.449 140 L N -1.613 119.503 121.223 -0.178 0.000 2.607 140 L HA 0.258 4.598 4.340 0.000 0.000 0.228 140 L C 1.618 178.413 176.870 -0.125 0.000 1.123 140 L CA 0.487 55.242 54.840 -0.142 0.000 0.890 140 L CB 0.095 42.062 42.059 -0.154 0.000 1.103 140 L HN 0.530 nan 8.230 nan 0.000 0.468 141 G N 0.210 108.928 108.800 -0.137 0.000 2.148 141 G HA2 -0.316 3.644 3.960 0.000 0.000 0.254 141 G HA3 -0.316 3.644 3.960 0.000 0.000 0.254 141 G C 0.350 175.179 174.900 -0.119 0.000 0.981 141 G CA 0.157 45.188 45.100 -0.115 0.000 0.670 141 G HN 0.252 nan 8.290 nan 0.000 0.528 142 M N 0.613 120.124 119.600 -0.148 0.000 2.202 142 M HA 0.473 4.953 4.480 0.000 0.000 0.316 142 M C 1.499 177.712 176.300 -0.144 0.000 1.138 142 M CA 0.380 55.598 55.300 -0.137 0.000 1.151 142 M CB 0.405 32.912 32.600 -0.156 0.000 1.422 142 M HN 0.239 nan 8.290 nan 0.000 0.471 143 G N 0.739 109.506 108.800 -0.055 0.000 2.636 143 G HA2 0.110 4.070 3.960 0.000 0.000 0.246 143 G HA3 0.110 4.070 3.960 0.000 0.000 0.246 143 G C 0.258 175.086 174.900 -0.120 0.000 1.216 143 G CA -0.571 44.536 45.100 0.011 0.000 0.854 143 G HN 0.631 nan 8.290 nan 0.000 0.572 144 K N 0.027 120.222 120.400 -0.342 0.000 2.520 144 K HA 0.091 4.411 4.320 0.000 0.000 0.205 144 K C 1.485 177.706 176.600 -0.632 0.000 1.035 144 K CA -0.157 55.744 56.287 -0.643 0.000 1.188 144 K CB -0.221 31.717 32.500 -0.936 0.000 0.894 144 K HN 0.633 nan 8.250 nan 0.000 0.497 145 H N 0.238 119.124 119.070 -0.308 0.000 2.319 145 H HA -0.087 4.469 4.556 0.000 0.000 0.299 145 H C 1.278 176.527 175.328 -0.131 0.000 1.092 145 H CA 1.714 57.675 56.048 -0.145 0.000 1.302 145 H CB 0.083 29.788 29.762 -0.095 0.000 1.373 145 H HN 0.112 nan 8.280 nan 0.000 0.497 146 T N 0.930 115.460 114.554 -0.039 0.000 2.803 146 T HA -0.108 4.242 4.350 0.000 0.000 0.269 146 T C 2.299 176.989 174.700 -0.015 0.000 1.052 146 T CA 1.022 63.093 62.100 -0.047 0.000 1.136 146 T CB -0.326 68.476 68.868 -0.110 0.000 0.864 146 T HN 0.458 nan 8.240 nan 0.000 0.467 147 A N 0.311 123.025 122.820 -0.177 0.000 1.930 147 A HA -0.054 4.266 4.320 0.000 0.000 0.217 147 A C 2.119 179.946 177.584 0.405 0.000 1.175 147 A CA 1.034 53.008 52.037 -0.105 0.000 0.627 147 A CB -1.000 17.685 19.000 -0.526 0.000 0.815 147 A HN 0.741 nan 8.150 nan 0.000 0.443 148 W N -0.550 120.891 121.300 0.235 0.000 2.418 148 W HA 0.013 4.673 4.660 0.000 0.000 0.292 148 W C 2.734 179.326 176.519 0.122 0.000 1.213 148 W CA 0.408 57.861 57.345 0.180 0.000 1.283 148 W CB 0.014 29.488 29.460 0.025 0.000 1.119 148 W HN 0.408 nan 8.180 nan 0.000 0.542 149 A N 0.215 123.217 122.820 0.303 0.000 1.902 149 A HA -0.241 4.079 4.320 0.000 0.000 0.217 149 A C 1.743 179.501 177.584 0.289 0.000 1.181 149 A CA 1.218 53.362 52.037 0.179 0.000 0.623 149 A CB -1.165 17.889 19.000 0.091 0.000 0.818 149 A HN 0.330 nan 8.150 nan 0.000 0.443 150 F N 0.562 120.619 119.950 0.180 0.000 2.269 150 F HA -0.051 4.476 4.527 0.000 0.000 0.301 150 F C 1.806 177.724 175.800 0.196 0.000 1.082 150 F CA 0.596 58.710 58.000 0.190 0.000 1.360 150 F CB -0.612 38.550 39.000 0.269 0.000 1.041 150 F HN 0.143 nan 8.300 nan 0.000 0.512 151 L N -0.895 120.532 121.223 0.340 0.000 2.131 151 L HA -0.238 4.102 4.340 0.000 0.000 0.210 151 L C 2.467 179.411 176.870 0.122 0.000 1.092 151 L CA 1.335 56.228 54.840 0.089 0.000 0.759 151 L CB -0.706 41.449 42.059 0.161 0.000 0.903 151 L HN 0.015 nan 8.230 nan 0.000 0.435 152 S N -0.122 115.683 115.700 0.174 0.000 2.368 152 S HA -0.170 4.300 4.470 0.000 0.000 0.225 152 S C 2.161 176.917 174.600 0.259 0.000 1.030 152 S CA 1.197 59.520 58.200 0.205 0.000 0.999 152 S CB -0.254 63.034 63.200 0.147 0.000 0.844 152 S HN 0.525 nan 8.310 nan 0.000 0.459 153 A N 1.456 124.415 122.820 0.233 0.000 1.898 153 A HA 0.010 4.330 4.320 0.000 0.000 0.216 153 A C 2.075 179.769 177.584 0.184 0.000 1.181 153 A CA 1.068 53.240 52.037 0.224 0.000 0.620 153 A CB -0.700 18.474 19.000 0.290 0.000 0.819 153 A HN 0.466 nan 8.150 nan 0.000 0.442 154 I N -1.540 119.060 120.570 0.049 0.000 2.286 154 I HA -0.293 3.878 4.170 0.000 0.000 0.248 154 I C 2.476 178.757 176.117 0.275 0.000 1.115 154 I CA 1.361 62.641 61.300 -0.034 0.000 1.392 154 I CB -0.305 37.336 38.000 -0.598 0.000 1.065 154 I HN 0.743 nan 8.210 nan 0.000 0.418 155 W N 1.554 122.881 121.300 0.046 0.000 2.332 155 W HA -0.275 4.385 4.660 0.000 0.000 0.321 155 W C 2.348 178.931 176.519 0.106 0.000 1.219 155 W CA 1.288 58.678 57.345 0.075 0.000 1.277 155 W CB -0.323 29.168 29.460 0.052 0.000 1.161 155 W HN 0.084 nan 8.180 nan 0.000 0.476 156 L N 0.309 121.547 121.223 0.025 0.000 2.079 156 L HA -0.247 4.093 4.340 0.000 0.000 0.210 156 L C 2.412 179.268 176.870 -0.023 0.000 1.081 156 L CA 2.492 57.262 54.840 -0.117 0.000 0.752 156 L CB -1.089 40.983 42.059 0.021 0.000 0.896 156 L HN 0.281 nan 8.230 nan 0.000 0.433 157 W N 0.270 121.530 121.300 -0.067 0.000 2.358 157 W HA -0.253 4.407 4.660 0.000 0.000 0.303 157 W C 2.376 178.932 176.519 0.061 0.000 1.208 157 W CA 1.291 58.618 57.345 -0.031 0.000 1.274 157 W CB -0.150 29.280 29.460 -0.050 0.000 1.138 157 W HN 0.025 nan 8.180 nan 0.000 0.515 158 M N -0.102 119.426 119.600 -0.121 0.000 2.200 158 M HA -0.126 4.354 4.480 0.000 0.000 0.265 158 M C 1.896 178.146 176.300 -0.083 0.000 1.066 158 M CA 1.181 56.401 55.300 -0.134 0.000 1.127 158 M CB -1.420 31.257 32.600 0.129 0.000 1.379 158 M HN -0.041 nan 8.290 nan 0.000 0.420 159 V N 0.686 120.444 119.914 -0.260 0.000 2.270 159 V HA -0.250 3.870 4.120 0.000 0.000 0.245 159 V C 2.487 178.466 176.094 -0.191 0.000 1.043 159 V CA 1.414 63.519 62.300 -0.325 0.000 1.014 159 V CB -0.638 30.772 31.823 -0.690 0.000 0.645 159 V HN 0.369 nan 8.190 nan 0.000 0.447 160 L N 0.356 121.453 121.223 -0.209 0.000 2.042 160 L HA -0.115 4.225 4.340 0.000 0.000 0.210 160 L C 2.287 179.027 176.870 -0.217 0.000 1.076 160 L CA 1.944 56.674 54.840 -0.183 0.000 0.749 160 L CB -0.764 41.157 42.059 -0.231 0.000 0.893 160 L HN 0.491 nan 8.230 nan 0.000 0.432 161 G N -2.832 105.757 108.800 -0.351 0.000 3.044 161 G HA2 0.124 4.084 3.960 0.000 0.000 0.223 161 G HA3 0.124 4.084 3.960 0.000 0.000 0.223 161 G C 0.780 175.280 174.900 -0.667 0.000 1.123 161 G CA -0.042 44.752 45.100 -0.510 0.000 0.765 161 G HN 0.226 nan 8.290 nan 0.000 0.546 162 F N -0.643 119.331 119.950 0.040 0.000 1.964 162 F HA 0.365 4.892 4.527 0.000 0.000 0.248 162 F C 2.195 178.088 175.800 0.155 0.000 1.051 162 F CA -0.293 57.828 58.000 0.203 0.000 1.221 162 F CB -0.142 38.930 39.000 0.119 0.000 1.497 162 F HN -0.092 nan 8.300 nan 0.000 0.653 163 I N 0.629 121.361 120.570 0.269 0.000 2.226 163 I HA -0.241 3.929 4.170 0.000 0.000 0.245 163 I C 2.537 178.706 176.117 0.087 0.000 1.100 163 I CA 1.558 62.954 61.300 0.159 0.000 1.374 163 I CB -0.399 37.670 38.000 0.116 0.000 1.057 163 I HN 0.174 nan 8.210 nan 0.000 0.413 164 R N 0.987 121.520 120.500 0.055 0.000 2.075 164 R HA -0.063 4.277 4.340 0.000 0.000 0.226 164 R C -0.444 175.899 176.300 0.072 0.000 1.114 164 R CA 1.023 57.159 56.100 0.061 0.000 0.972 164 R CB -0.906 29.442 30.300 0.080 0.000 0.869 164 R HN 0.183 nan 8.270 nan 0.000 0.437 165 P HA -0.139 nan 4.420 nan 0.000 0.218 165 P C 1.027 178.247 177.300 -0.134 0.000 1.148 165 P CA 1.297 64.418 63.100 0.035 0.000 0.822 165 P CB 0.032 31.842 31.700 0.182 0.000 0.784 166 I N -1.514 118.992 120.570 -0.106 0.000 2.286 166 I HA -0.178 3.992 4.170 0.000 0.000 0.245 166 I C 2.083 178.140 176.117 -0.099 0.000 1.104 166 I CA 1.152 62.350 61.300 -0.170 0.000 1.397 166 I CB -0.441 37.537 38.000 -0.037 0.000 1.072 166 I HN -0.128 nan 8.210 nan 0.000 0.417 167 L N -0.665 120.540 121.223 -0.030 0.000 2.275 167 L HA -0.164 4.176 4.340 0.000 0.000 0.215 167 L C 2.224 179.077 176.870 -0.028 0.000 1.119 167 L CA 0.841 55.671 54.840 -0.017 0.000 0.790 167 L CB -0.305 41.763 42.059 0.015 0.000 0.919 167 L HN 0.299 nan 8.230 nan 0.000 0.443 168 M N -0.515 119.065 119.600 -0.033 0.000 2.561 168 M HA 0.135 4.615 4.480 0.000 0.000 0.238 168 M C 1.467 177.728 176.300 -0.066 0.000 1.131 168 M CA 0.763 56.045 55.300 -0.029 0.000 1.046 168 M CB -0.137 32.467 32.600 0.007 0.000 1.532 168 M HN 0.245 nan 8.290 nan 0.000 0.497 169 G N -0.656 108.077 108.800 -0.111 0.000 2.302 169 G HA2 -0.288 3.672 3.960 0.000 0.000 0.263 169 G HA3 -0.288 3.672 3.960 0.000 0.000 0.263 169 G C 0.524 175.307 174.900 -0.195 0.000 0.995 169 G CA 0.557 45.572 45.100 -0.142 0.000 0.622 169 G HN 0.599 nan 8.290 nan 0.000 0.538 170 S N -1.577 114.015 115.700 -0.179 0.000 2.513 170 S HA 0.579 5.049 4.470 0.000 0.000 0.299 170 S C 0.599 175.100 174.600 -0.165 0.000 1.087 170 S CA -0.067 58.040 58.200 -0.155 0.000 1.012 170 S CB 0.904 64.078 63.200 -0.042 0.000 1.044 170 S HN 0.317 nan 8.310 nan 0.000 0.485 171 W N 1.944 123.267 121.300 0.037 0.000 2.658 171 W HA 0.014 4.674 4.660 0.000 0.000 0.263 171 W C 2.500 178.884 176.519 -0.226 0.000 1.274 171 W CA 0.450 57.774 57.345 -0.035 0.000 1.343 171 W CB 0.044 29.517 29.460 0.022 0.000 1.106 171 W HN 0.872 nan 8.180 nan 0.000 0.615 172 S N -0.034 115.697 115.700 0.053 0.000 2.465 172 S HA -0.196 4.274 4.470 0.000 0.000 0.241 172 S C 1.451 176.067 174.600 0.025 0.000 1.000 172 S CA 1.154 59.336 58.200 -0.031 0.000 0.964 172 S CB -0.292 62.924 63.200 0.026 0.000 0.763 172 S HN 0.236 nan 8.310 nan 0.000 0.512 173 E N 1.957 122.211 120.200 0.091 0.000 2.150 173 E HA 0.185 4.535 4.350 0.000 0.000 0.193 173 E C 1.299 178.096 176.600 0.328 0.000 0.985 173 E CA 0.740 57.267 56.400 0.213 0.000 0.814 173 E CB -0.586 29.218 29.700 0.174 0.000 0.752 173 E HN 0.734 nan 8.360 nan 0.000 0.466 174 A N 1.192 124.087 122.820 0.125 0.000 2.366 174 A HA 0.208 4.529 4.320 0.000 0.000 0.250 174 A C 0.430 177.838 177.584 -0.294 0.000 1.099 174 A CA -0.362 51.672 52.037 -0.006 0.000 0.794 174 A CB 0.422 19.483 19.000 0.101 0.000 1.056 174 A HN -0.037 nan 8.150 nan 0.000 0.499 175 V N 2.717 122.240 119.914 -0.651 0.000 2.555 175 V HA 0.249 4.369 4.120 0.000 0.000 0.286 175 V C -1.702 174.125 176.094 -0.445 0.000 1.044 175 V CA -0.978 60.695 62.300 -1.046 0.000 1.026 175 V CB 0.610 31.823 31.823 -1.016 0.000 0.981 175 V HN 0.859 nan 8.190 nan 0.000 0.480 176 P HA 0.115 nan 4.420 nan 0.000 0.272 176 P C -1.236 176.026 177.300 -0.063 0.000 1.240 176 P CA -0.286 62.773 63.100 -0.067 0.000 0.791 176 P CB 0.471 32.210 31.700 0.066 0.000 0.978 177 Y N 0.404 120.924 120.300 0.367 0.000 2.650 177 Y HA 0.553 5.103 4.550 0.000 0.000 0.343 177 Y C 1.303 177.436 175.900 0.388 0.000 1.078 177 Y CA 0.544 58.827 58.100 0.305 0.000 1.356 177 Y CB 0.125 38.733 38.460 0.248 0.000 1.204 177 Y HN 0.512 nan 8.280 nan 0.000 0.508 178 G N 1.583 110.619 108.800 0.393 0.000 2.667 178 G HA2 0.332 4.292 3.960 0.000 0.000 0.294 178 G HA3 0.332 4.292 3.960 0.000 0.000 0.294 178 G C -0.035 174.984 174.900 0.197 0.000 1.467 178 G CA -0.714 44.606 45.100 0.367 0.000 0.852 178 G HN 0.220 nan 8.290 nan 0.000 0.521 179 I N 0.622 121.223 120.570 0.051 0.000 2.110 179 I HA 0.003 4.173 4.170 0.000 0.000 0.236 179 I C 2.437 178.659 176.117 0.176 0.000 1.068 179 I CA 1.280 62.524 61.300 -0.093 0.000 1.333 179 I CB -0.827 36.752 38.000 -0.701 0.000 1.054 179 I HN 0.424 nan 8.210 nan 0.000 0.402 180 F N 1.880 121.725 119.950 -0.175 0.000 2.163 180 F HA -0.128 4.399 4.527 0.000 0.000 0.297 180 F C 3.027 178.815 175.800 -0.021 0.000 1.094 180 F CA 1.215 59.116 58.000 -0.165 0.000 1.290 180 F CB -1.560 37.236 39.000 -0.341 0.000 1.017 180 F HN 0.180 nan 8.300 nan 0.000 0.483 181 S N -0.024 115.823 115.700 0.246 0.000 2.400 181 S HA -0.258 4.212 4.470 0.000 0.000 0.232 181 S C 2.059 176.819 174.600 0.266 0.000 1.025 181 S CA 1.598 59.933 58.200 0.224 0.000 0.993 181 S CB -1.206 62.127 63.200 0.221 0.000 0.808 181 S HN 0.653 nan 8.310 nan 0.000 0.478 182 H N 1.971 121.128 119.070 0.145 0.000 2.470 182 H HA 0.197 4.753 4.556 0.000 0.000 0.289 182 H C 1.901 177.344 175.328 0.191 0.000 1.033 182 H CA 1.011 57.145 56.048 0.142 0.000 1.331 182 H CB -0.598 29.200 29.762 0.060 0.000 1.414 182 H HN 0.443 nan 8.280 nan 0.000 0.545 183 L N 0.870 122.002 121.223 -0.152 0.000 2.056 183 L HA -0.139 4.201 4.340 0.000 0.000 0.207 183 L C 2.144 178.999 176.870 -0.025 0.000 1.078 183 L CA 1.420 56.154 54.840 -0.177 0.000 0.749 183 L CB -0.328 41.655 42.059 -0.126 0.000 0.901 183 L HN 0.154 nan 8.230 nan 0.000 0.433 184 D N -0.827 119.596 120.400 0.040 0.000 2.178 184 D HA -0.215 4.425 4.640 0.000 0.000 0.202 184 D C 1.758 178.126 176.300 0.114 0.000 0.974 184 D CA 0.956 54.987 54.000 0.052 0.000 0.841 184 D CB -0.184 40.654 40.800 0.062 0.000 0.953 184 D HN 0.441 nan 8.370 nan 0.000 0.478 185 W N 1.890 123.197 121.300 0.011 0.000 2.379 185 W HA -0.196 4.464 4.660 0.000 0.000 0.307 185 W C 2.159 178.713 176.519 0.058 0.000 1.200 185 W CA 1.986 59.358 57.345 0.046 0.000 1.297 185 W CB -0.396 29.096 29.460 0.053 0.000 1.140 185 W HN -0.183 nan 8.180 nan 0.000 0.507 186 T N 0.482 115.215 114.554 0.299 0.000 2.708 186 T HA -0.303 4.048 4.350 0.000 0.000 0.266 186 T C 1.398 176.077 174.700 -0.035 0.000 1.037 186 T CA 1.843 64.016 62.100 0.121 0.000 1.146 186 T CB -0.733 68.201 68.868 0.110 0.000 0.865 186 T HN 0.335 nan 8.240 nan 0.000 0.435 187 N N 1.669 120.350 118.700 -0.032 0.000 2.058 187 N HA -0.149 4.591 4.740 0.000 0.000 0.191 187 N C 1.706 177.170 175.510 -0.077 0.000 1.037 187 N CA 1.926 54.940 53.050 -0.059 0.000 0.848 187 N CB -0.563 37.893 38.487 -0.052 0.000 1.021 187 N HN 0.347 nan 8.380 nan 0.000 0.422 188 N N -1.097 117.548 118.700 -0.091 0.000 2.149 188 N HA -0.192 4.548 4.740 0.000 0.000 0.188 188 N C 1.569 176.981 175.510 -0.164 0.000 1.019 188 N CA 1.196 54.171 53.050 -0.125 0.000 0.857 188 N CB -0.457 37.953 38.487 -0.129 0.000 0.997 188 N HN 0.367 nan 8.380 nan 0.000 0.426 189 F N 0.377 120.070 119.950 -0.429 0.000 2.134 189 F HA -0.107 4.420 4.527 0.000 0.000 0.299 189 F C 2.703 178.441 175.800 -0.104 0.000 1.097 189 F CA 1.607 59.367 58.000 -0.399 0.000 1.264 189 F CB -0.810 37.714 39.000 -0.793 0.000 1.001 189 F HN 0.087 nan 8.300 nan 0.000 0.479 190 S N -0.123 115.616 115.700 0.064 0.000 2.383 190 S HA -0.138 4.332 4.470 0.000 0.000 0.227 190 S C 2.032 176.615 174.600 -0.028 0.000 1.026 190 S CA 1.105 59.310 58.200 0.008 0.000 0.981 190 S CB -0.565 62.568 63.200 -0.112 0.000 0.818 190 S HN 0.301 nan 8.310 nan 0.000 0.472 191 L N 2.213 123.394 121.223 -0.069 0.000 1.994 191 L HA -0.016 4.324 4.340 0.000 0.000 0.208 191 L C 2.620 179.418 176.870 -0.119 0.000 1.071 191 L CA 2.181 56.975 54.840 -0.077 0.000 0.745 191 L CB -1.157 40.853 42.059 -0.082 0.000 0.892 191 L HN 0.461 nan 8.230 nan 0.000 0.431 192 V N -3.716 116.072 119.914 -0.209 0.000 3.305 192 V HA -0.118 4.002 4.120 0.000 0.000 0.269 192 V C 1.698 177.466 176.094 -0.543 0.000 1.157 192 V CA 1.186 63.279 62.300 -0.345 0.000 1.157 192 V CB -0.993 30.584 31.823 -0.411 0.000 0.772 192 V HN 0.521 nan 8.190 nan 0.000 0.498 193 H N 1.021 119.956 119.070 -0.226 0.000 2.542 193 H HA 0.388 4.944 4.556 0.000 0.000 0.283 193 H C 1.696 177.036 175.328 0.021 0.000 1.059 193 H CA 0.474 56.424 56.048 -0.162 0.000 1.162 193 H CB 0.552 30.182 29.762 -0.220 0.000 1.539 193 H HN 0.641 nan 8.280 nan 0.000 0.543 194 G N 2.466 111.308 108.800 0.070 0.000 2.326 194 G HA2 -0.307 3.653 3.960 0.000 0.000 0.286 194 G HA3 -0.307 3.653 3.960 0.000 0.000 0.286 194 G C -0.315 174.764 174.900 0.299 0.000 1.096 194 G CA 0.353 45.537 45.100 0.140 0.000 1.003 194 G HN 0.587 nan 8.290 nan 0.000 0.503 195 N N -2.253 116.582 118.700 0.225 0.000 3.541 195 N HA -0.167 4.573 4.740 0.000 0.000 0.292 195 N C 0.819 176.470 175.510 0.234 0.000 1.964 195 N CA 0.826 54.005 53.050 0.214 0.000 2.344 195 N CB -0.627 38.077 38.487 0.361 0.000 0.672 195 N HN 0.791 nan 8.380 nan 0.000 0.620 196 L N 4.445 125.623 121.223 -0.074 0.000 2.552 196 L HA 0.219 4.559 4.340 0.000 0.000 0.227 196 L C 1.542 178.228 176.870 -0.308 0.000 1.146 196 L CA 0.901 55.572 54.840 -0.282 0.000 0.858 196 L CB -0.374 41.364 42.059 -0.536 0.000 0.969 196 L HN 0.605 nan 8.230 nan 0.000 0.451 197 F N -1.737 118.122 119.950 -0.153 0.000 2.365 197 F HA -0.135 4.392 4.527 0.000 0.000 0.300 197 F C 1.625 177.287 175.800 -0.229 0.000 1.090 197 F CA 0.790 58.688 58.000 -0.171 0.000 1.408 197 F CB -0.806 38.023 39.000 -0.284 0.000 1.060 197 F HN 0.140 nan 8.300 nan 0.000 0.534 198 Y N -1.252 119.214 120.300 0.278 0.000 2.511 198 Y HA 0.044 4.594 4.550 0.000 0.000 0.279 198 Y C 1.070 177.065 175.900 0.159 0.000 1.157 198 Y CA -0.301 57.975 58.100 0.293 0.000 1.300 198 Y CB -0.665 38.056 38.460 0.436 0.000 1.052 198 Y HN -0.156 nan 8.280 nan 0.000 0.529 199 N N 3.030 121.652 118.700 -0.129 0.000 2.405 199 N HA 0.015 4.755 4.740 0.000 0.000 0.260 199 N C -1.658 173.594 175.510 -0.431 0.000 1.152 199 N CA -1.851 50.659 53.050 -0.900 0.000 0.948 199 N CB 1.012 38.672 38.487 -1.379 0.000 1.111 199 N HN 0.045 nan 8.380 nan 0.000 0.485 200 P HA -0.169 nan 4.420 nan 0.000 0.217 200 P C 0.960 178.070 177.300 -0.318 0.000 1.148 200 P CA 1.347 64.312 63.100 -0.224 0.000 0.828 200 P CB 0.021 31.611 31.700 -0.184 0.000 0.783 201 F N -1.503 118.318 119.950 -0.215 0.000 2.615 201 F HA -0.007 4.520 4.527 0.000 0.000 0.297 201 F C 2.792 178.561 175.800 -0.052 0.000 1.124 201 F CA 0.692 58.636 58.000 -0.093 0.000 1.451 201 F CB -0.900 38.044 39.000 -0.093 0.000 1.103 201 F HN 0.077 nan 8.300 nan 0.000 0.569 202 H N -0.512 118.508 119.070 -0.083 0.000 2.403 202 H HA -0.017 4.539 4.556 0.000 0.000 0.298 202 H C 2.359 177.652 175.328 -0.058 0.000 1.059 202 H CA 1.265 57.269 56.048 -0.074 0.000 1.363 202 H CB -0.143 29.539 29.762 -0.133 0.000 1.410 202 H HN 0.326 nan 8.280 nan 0.000 0.528 203 G N 0.895 109.681 108.800 -0.025 0.000 2.448 203 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 203 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 203 G C 1.673 176.467 174.900 -0.177 0.000 1.135 203 G CA 0.324 45.365 45.100 -0.098 0.000 0.784 203 G HN 0.292 nan 8.290 nan 0.000 0.543 204 L N 0.775 121.908 121.223 -0.150 0.000 2.109 204 L HA 0.164 4.504 4.340 0.000 0.000 0.207 204 L C 2.896 179.702 176.870 -0.107 0.000 1.086 204 L CA 1.825 56.555 54.840 -0.183 0.000 0.760 204 L CB -0.674 41.332 42.059 -0.089 0.000 0.910 204 L HN 0.226 nan 8.230 nan 0.000 0.437 205 S N -0.743 114.964 115.700 0.012 0.000 2.368 205 S HA -0.117 4.353 4.470 0.000 0.000 0.225 205 S C 2.027 176.568 174.600 -0.099 0.000 1.030 205 S CA 1.317 59.558 58.200 0.069 0.000 0.999 205 S CB -0.254 62.959 63.200 0.023 0.000 0.844 205 S HN 0.444 nan 8.310 nan 0.000 0.459 206 I N 1.394 121.778 120.570 -0.310 0.000 2.493 206 I HA -0.124 4.047 4.170 0.000 0.000 0.254 206 I C 2.606 178.414 176.117 -0.514 0.000 1.160 206 I CA 0.896 61.882 61.300 -0.525 0.000 1.445 206 I CB -0.398 37.248 38.000 -0.590 0.000 1.086 206 I HN 0.337 nan 8.210 nan 0.000 0.433 207 A N 0.740 123.338 122.820 -0.370 0.000 1.930 207 A HA -0.161 4.159 4.320 0.000 0.000 0.217 207 A C 1.926 179.341 177.584 -0.282 0.000 1.175 207 A CA 1.518 53.342 52.037 -0.356 0.000 0.627 207 A CB -0.677 17.989 19.000 -0.556 0.000 0.815 207 A HN 0.340 nan 8.150 nan 0.000 0.443 208 F N -1.143 118.814 119.950 0.011 0.000 2.416 208 F HA 0.098 4.625 4.527 0.000 0.000 0.296 208 F C 1.865 177.705 175.800 0.066 0.000 1.099 208 F CA 0.450 58.491 58.000 0.068 0.000 1.427 208 F CB -0.521 38.534 39.000 0.092 0.000 1.079 208 F HN 0.219 nan 8.300 nan 0.000 0.536 209 L N -0.889 120.411 121.223 0.129 0.000 2.027 209 L HA -0.208 4.132 4.340 0.000 0.000 0.206 209 L C 2.263 179.259 176.870 0.210 0.000 1.074 209 L CA 1.892 56.800 54.840 0.113 0.000 0.745 209 L CB -0.994 41.054 42.059 -0.018 0.000 0.898 209 L HN 0.024 nan 8.230 nan 0.000 0.433 210 Y N 0.311 120.652 120.300 0.069 0.000 2.128 210 Y HA -0.115 4.435 4.550 0.000 0.000 0.284 210 Y C 2.581 178.523 175.900 0.070 0.000 1.154 210 Y CA 1.059 59.190 58.100 0.052 0.000 1.149 210 Y CB -1.564 36.903 38.460 0.012 0.000 0.976 210 Y HN 0.274 nan 8.280 nan 0.000 0.505 211 G N -1.732 107.229 108.800 0.268 0.000 2.471 211 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 211 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 211 G C 1.898 176.917 174.900 0.198 0.000 1.125 211 G CA 1.080 46.299 45.100 0.198 0.000 0.775 211 G HN 0.374 nan 8.290 nan 0.000 0.548 212 S N 0.650 116.484 115.700 0.223 0.000 2.377 212 S HA 0.124 4.594 4.470 0.000 0.000 0.223 212 S C 2.746 177.479 174.600 0.222 0.000 1.030 212 S CA 0.867 59.191 58.200 0.206 0.000 0.970 212 S CB -0.185 63.139 63.200 0.206 0.000 0.830 212 S HN 0.516 nan 8.310 nan 0.000 0.473 213 A N 1.239 124.188 122.820 0.214 0.000 2.014 213 A HA 0.043 4.363 4.320 0.000 0.000 0.218 213 A C 2.046 179.726 177.584 0.159 0.000 1.163 213 A CA 0.958 53.110 52.037 0.192 0.000 0.652 213 A CB -0.506 18.587 19.000 0.156 0.000 0.808 213 A HN 0.430 nan 8.150 nan 0.000 0.449 214 L N -0.862 120.443 121.223 0.136 0.000 2.005 214 L HA -0.030 4.310 4.340 0.000 0.000 0.207 214 L C 2.116 179.037 176.870 0.085 0.000 1.072 214 L CA 2.065 56.960 54.840 0.093 0.000 0.744 214 L CB -0.652 41.448 42.059 0.069 0.000 0.895 214 L HN 0.267 nan 8.230 nan 0.000 0.433 215 L N -1.634 119.639 121.223 0.083 0.000 2.156 215 L HA -0.070 4.270 4.340 0.000 0.000 0.208 215 L C 2.141 179.110 176.870 0.166 0.000 1.095 215 L CA 1.445 56.304 54.840 0.033 0.000 0.770 215 L CB -0.699 41.355 42.059 -0.008 0.000 0.914 215 L HN 0.306 nan 8.230 nan 0.000 0.439 216 F N -0.095 119.895 119.950 0.067 0.000 2.335 216 F HA 0.152 4.679 4.527 0.000 0.000 0.296 216 F C 2.357 178.202 175.800 0.076 0.000 1.091 216 F CA 0.504 58.561 58.000 0.095 0.000 1.399 216 F CB -0.819 38.239 39.000 0.096 0.000 1.067 216 F HN 0.156 nan 8.300 nan 0.000 0.520 217 A N -0.032 122.929 122.820 0.235 0.000 1.933 217 A HA -0.207 4.113 4.320 0.000 0.000 0.218 217 A C 2.327 179.998 177.584 0.145 0.000 1.175 217 A CA 1.699 53.808 52.037 0.119 0.000 0.628 217 A CB -0.652 18.402 19.000 0.090 0.000 0.814 217 A HN 0.381 nan 8.150 nan 0.000 0.444 218 M N -2.112 117.588 119.600 0.167 0.000 2.077 218 M HA -0.136 4.344 4.480 0.000 0.000 0.261 218 M C 2.317 178.743 176.300 0.209 0.000 1.070 218 M CA 2.063 57.476 55.300 0.189 0.000 1.125 218 M CB -0.420 32.157 32.600 -0.038 0.000 1.339 218 M HN 0.689 nan 8.290 nan 0.000 0.409 219 H N -0.197 118.939 119.070 0.110 0.000 2.363 219 H HA 0.004 4.560 4.556 0.000 0.000 0.301 219 H C 1.915 177.341 175.328 0.165 0.000 1.074 219 H CA 1.998 58.108 56.048 0.104 0.000 1.354 219 H CB -0.596 29.193 29.762 0.044 0.000 1.397 219 H HN 0.319 nan 8.280 nan 0.000 0.516 220 G N 0.040 108.938 108.800 0.162 0.000 2.476 220 G HA2 -0.303 3.657 3.960 0.000 0.000 0.218 220 G HA3 -0.303 3.657 3.960 0.000 0.000 0.218 220 G C 1.877 176.723 174.900 -0.090 0.000 1.164 220 G CA 1.178 46.274 45.100 -0.007 0.000 0.768 220 G HN 0.602 nan 8.290 nan 0.000 0.560 221 A N -0.159 122.641 122.820 -0.035 0.000 2.014 221 A HA 0.097 4.417 4.320 0.000 0.000 0.218 221 A C 2.504 180.022 177.584 -0.111 0.000 1.163 221 A CA 2.234 54.228 52.037 -0.073 0.000 0.652 221 A CB -0.571 18.407 19.000 -0.036 0.000 0.808 221 A HN 0.310 nan 8.150 nan 0.000 0.449 222 T N 0.401 114.918 114.554 -0.062 0.000 2.812 222 T HA -0.045 4.305 4.350 0.000 0.000 0.264 222 T C 1.767 176.402 174.700 -0.109 0.000 1.042 222 T CA 1.234 63.287 62.100 -0.079 0.000 1.140 222 T CB -0.204 68.733 68.868 0.114 0.000 0.870 222 T HN 0.287 nan 8.240 nan 0.000 0.445 223 I N 1.382 121.858 120.570 -0.157 0.000 2.252 223 I HA -0.030 4.140 4.170 0.000 0.000 0.245 223 I C 2.311 178.351 176.117 -0.129 0.000 1.102 223 I CA 1.139 62.355 61.300 -0.140 0.000 1.385 223 I CB -1.224 36.645 38.000 -0.218 0.000 1.064 223 I HN 0.268 nan 8.210 nan 0.000 0.414 224 L N 0.528 121.657 121.223 -0.158 0.000 2.191 224 L HA -0.138 4.202 4.340 0.000 0.000 0.212 224 L C 2.587 179.350 176.870 -0.178 0.000 1.103 224 L CA 1.203 55.937 54.840 -0.177 0.000 0.769 224 L CB -0.705 41.236 42.059 -0.196 0.000 0.908 224 L HN 0.181 nan 8.230 nan 0.000 0.438 225 A N -0.098 122.623 122.820 -0.164 0.000 2.119 225 A HA 0.003 4.323 4.320 0.000 0.000 0.216 225 A C 1.690 179.212 177.584 -0.102 0.000 1.152 225 A CA 1.132 53.072 52.037 -0.161 0.000 0.708 225 A CB -0.195 18.678 19.000 -0.211 0.000 0.805 225 A HN 0.317 nan 8.150 nan 0.000 0.460 226 V N -2.027 117.859 119.914 -0.047 0.000 3.006 226 V HA 0.186 4.306 4.120 0.000 0.000 0.357 226 V C 1.257 177.344 176.094 -0.012 0.000 1.377 226 V CA 0.684 63.044 62.300 0.099 0.000 1.198 226 V CB -0.722 31.262 31.823 0.269 0.000 1.216 226 V HN 0.472 nan 8.190 nan 0.000 0.520 227 S N 1.841 117.466 115.700 -0.124 0.000 2.481 227 S HA -0.183 4.287 4.470 0.000 0.000 0.231 227 S C 1.911 176.404 174.600 -0.179 0.000 0.996 227 S CA 1.030 59.159 58.200 -0.118 0.000 0.942 227 S CB -0.635 62.486 63.200 -0.133 0.000 0.768 227 S HN 0.874 nan 8.310 nan 0.000 0.520 228 R N 0.197 120.473 120.500 -0.373 0.000 2.285 228 R HA 0.050 4.390 4.340 0.000 0.000 0.213 228 R C 0.134 176.085 176.300 -0.580 0.000 1.068 228 R CA 0.970 56.754 56.100 -0.527 0.000 1.004 228 R CB -0.651 29.204 30.300 -0.741 0.000 0.873 228 R HN 0.544 nan 8.270 nan 0.000 0.467 229 F N 0.473 120.414 119.950 -0.015 0.000 2.791 229 F HA 0.459 4.987 4.527 0.000 0.000 0.308 229 F C 0.913 176.708 175.800 -0.008 0.000 1.138 229 F CA -0.709 57.285 58.000 -0.009 0.000 1.294 229 F CB 0.918 39.910 39.000 -0.014 0.000 0.975 229 F HN 0.163 nan 8.300 nan 0.000 0.512 230 G N 0.838 109.681 108.800 0.072 0.000 2.314 230 G HA2 -0.239 3.721 3.960 0.000 0.000 0.292 230 G HA3 -0.239 3.721 3.960 0.000 0.000 0.292 230 G C 1.278 176.215 174.900 0.062 0.000 1.059 230 G CA 0.225 45.355 45.100 0.050 0.000 0.982 230 G HN 0.727 nan 8.290 nan 0.000 0.505 231 G N 0.895 109.729 108.800 0.058 0.000 2.421 231 G HA2 -0.116 3.844 3.960 0.000 0.000 0.216 231 G HA3 -0.116 3.844 3.960 0.000 0.000 0.216 231 G C 1.530 176.454 174.900 0.039 0.000 1.171 231 G CA 1.373 46.511 45.100 0.063 0.000 0.775 231 G HN 0.878 nan 8.290 nan 0.000 0.543 232 E N 1.013 121.217 120.200 0.008 0.000 2.331 232 E HA -0.146 4.204 4.350 0.000 0.000 0.199 232 E C 1.002 177.616 176.600 0.023 0.000 1.008 232 E CA 0.417 56.821 56.400 0.006 0.000 0.843 232 E CB -0.251 29.434 29.700 -0.025 0.000 0.761 232 E HN 0.320 nan 8.360 nan 0.000 0.507 233 R N 1.425 121.940 120.500 0.025 0.000 4.138 233 R HA 0.140 4.480 4.340 0.000 0.000 0.206 233 R C 0.851 177.171 176.300 0.034 0.000 1.667 233 R CA -0.046 56.067 56.100 0.021 0.000 1.481 233 R CB 0.164 30.474 30.300 0.018 0.000 1.388 233 R HN 0.259 nan 8.270 nan 0.000 0.776 234 E N 0.602 120.829 120.200 0.045 0.000 2.150 234 E HA -0.184 4.166 4.350 0.000 0.000 0.193 234 E C 1.308 177.927 176.600 0.031 0.000 0.985 234 E CA 0.922 57.367 56.400 0.074 0.000 0.814 234 E CB 0.091 29.871 29.700 0.134 0.000 0.752 234 E HN 0.465 nan 8.360 nan 0.000 0.466 235 L N 1.132 122.348 121.223 -0.010 0.000 2.046 235 L HA -0.169 4.172 4.340 0.000 0.000 0.208 235 L C 2.497 179.365 176.870 -0.004 0.000 1.077 235 L CA 0.952 55.777 54.840 -0.024 0.000 0.747 235 L CB -0.202 41.830 42.059 -0.045 0.000 0.896 235 L HN 0.077 nan 8.230 nan 0.000 0.432 236 E N -0.240 119.963 120.200 0.004 0.000 2.204 236 E HA -0.184 4.166 4.350 0.000 0.000 0.194 236 E C 2.209 178.821 176.600 0.020 0.000 0.989 236 E CA 0.736 57.142 56.400 0.010 0.000 0.824 236 E CB 0.029 29.736 29.700 0.012 0.000 0.756 236 E HN 0.489 nan 8.360 nan 0.000 0.477 237 Q N 0.087 119.906 119.800 0.032 0.000 2.167 237 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 237 Q C 2.376 178.401 176.000 0.041 0.000 0.970 237 Q CA 0.631 56.459 55.803 0.041 0.000 0.855 237 Q CB -0.113 28.662 28.738 0.060 0.000 0.911 237 Q HN 0.405 nan 8.270 nan 0.000 0.438 238 I N 0.481 121.075 120.570 0.040 0.000 2.142 238 I HA -0.240 3.930 4.170 0.000 0.000 0.240 238 I C 2.235 178.366 176.117 0.025 0.000 1.078 238 I CA 1.250 62.572 61.300 0.037 0.000 1.343 238 I CB -0.403 37.613 38.000 0.026 0.000 1.046 238 I HN 0.039 nan 8.210 nan 0.000 0.405 239 A N -0.843 121.986 122.820 0.016 0.000 2.119 239 A HA -0.119 4.201 4.320 0.000 0.000 0.217 239 A C 0.489 178.080 177.584 0.012 0.000 1.153 239 A CA 1.179 53.222 52.037 0.011 0.000 0.692 239 A CB -0.158 18.844 19.000 0.004 0.000 0.799 239 A HN 0.476 nan 8.150 nan 0.000 0.458 240 D N -1.434 118.976 120.400 0.016 0.000 2.296 240 D HA 0.122 4.762 4.640 0.000 0.000 0.224 240 D C -0.486 175.824 176.300 0.017 0.000 1.324 240 D CA -0.380 53.629 54.000 0.014 0.000 0.940 240 D CB 0.250 41.057 40.800 0.012 0.000 1.492 240 D HN 0.247 nan 8.370 nan 0.000 0.531 241 R N 1.762 122.271 120.500 0.016 0.000 2.570 241 R HA 0.517 4.857 4.340 0.000 0.000 0.277 241 R C 0.232 176.536 176.300 0.007 0.000 1.039 241 R CA 0.295 56.404 56.100 0.015 0.000 1.065 241 R CB 0.492 30.800 30.300 0.013 0.000 0.964 241 R HN 0.396 nan 8.270 nan 0.000 0.428 242 G N 0.218 109.021 108.800 0.005 0.000 2.685 242 G HA2 0.122 4.082 3.960 0.000 0.000 0.298 242 G HA3 0.122 4.082 3.960 0.000 0.000 0.298 242 G C 0.266 175.135 174.900 -0.050 0.000 1.277 242 G CA -0.445 44.651 45.100 -0.008 0.000 0.986 242 G HN 0.580 nan 8.290 nan 0.000 0.487 243 T N -0.324 114.169 114.554 -0.103 0.000 3.007 243 T HA 0.005 4.355 4.350 0.000 0.000 0.270 243 T C 2.450 176.960 174.700 -0.318 0.000 1.107 243 T CA 2.228 64.182 62.100 -0.242 0.000 1.118 243 T CB -0.440 68.217 68.868 -0.351 0.000 0.889 243 T HN 0.651 nan 8.240 nan 0.000 0.506 244 A N 1.018 123.765 122.820 -0.122 0.000 1.855 244 A HA 0.246 4.566 4.320 0.000 0.000 0.215 244 A C 2.717 180.306 177.584 0.008 0.000 1.191 244 A CA 1.792 53.850 52.037 0.035 0.000 0.613 244 A CB -1.313 17.794 19.000 0.177 0.000 0.829 244 A HN 0.609 nan 8.150 nan 0.000 0.442 245 A N -0.418 122.409 122.820 0.012 0.000 1.972 245 A HA -0.147 4.173 4.320 0.000 0.000 0.219 245 A C 1.929 179.506 177.584 -0.010 0.000 1.169 245 A CA 1.624 53.675 52.037 0.024 0.000 0.635 245 A CB -0.433 18.588 19.000 0.035 0.000 0.810 245 A HN 0.663 nan 8.150 nan 0.000 0.446 246 E N -0.487 119.675 120.200 -0.062 0.000 2.028 246 E HA -0.121 4.229 4.350 0.000 0.000 0.190 246 E C 2.294 178.808 176.600 -0.144 0.000 0.984 246 E CA 0.861 57.203 56.400 -0.095 0.000 0.800 246 E CB -0.179 29.451 29.700 -0.116 0.000 0.758 246 E HN 0.530 nan 8.360 nan 0.000 0.448 247 R N 0.604 120.989 120.500 -0.192 0.000 2.148 247 R HA -0.043 4.297 4.340 0.000 0.000 0.227 247 R C 2.259 178.486 176.300 -0.121 0.000 1.103 247 R CA 0.836 56.808 56.100 -0.213 0.000 0.983 247 R CB -0.191 29.953 30.300 -0.259 0.000 0.874 247 R HN 0.089 nan 8.270 nan 0.000 0.451 248 A N 1.522 124.316 122.820 -0.043 0.000 1.841 248 A HA -0.065 4.255 4.320 0.000 0.000 0.214 248 A C 2.404 180.052 177.584 0.106 0.000 1.195 248 A CA 1.518 53.579 52.037 0.040 0.000 0.611 248 A CB -0.790 18.259 19.000 0.083 0.000 0.835 248 A HN 0.345 nan 8.150 nan 0.000 0.443 249 A N -0.572 122.287 122.820 0.066 0.000 1.978 249 A HA -0.048 4.272 4.320 0.000 0.000 0.220 249 A C 2.145 179.717 177.584 -0.021 0.000 1.170 249 A CA 1.515 53.596 52.037 0.073 0.000 0.636 249 A CB -0.569 18.454 19.000 0.038 0.000 0.810 249 A HN 0.478 nan 8.150 nan 0.000 0.448 250 L N -2.104 119.004 121.223 -0.191 0.000 2.217 250 L HA -0.087 4.253 4.340 0.000 0.000 0.211 250 L C 2.382 178.863 176.870 -0.649 0.000 1.107 250 L CA 1.045 55.577 54.840 -0.514 0.000 0.783 250 L CB -0.436 41.152 42.059 -0.785 0.000 0.919 250 L HN 0.565 nan 8.230 nan 0.000 0.442 251 F N 0.190 119.835 119.950 -0.508 0.000 2.046 251 F HA -0.265 4.262 4.527 0.000 0.000 0.297 251 F C 2.039 177.605 175.800 -0.389 0.000 1.123 251 F CA 1.801 59.515 58.000 -0.477 0.000 1.199 251 F CB -0.514 38.164 39.000 -0.536 0.000 0.972 251 F HN -0.031 nan 8.300 nan 0.000 0.474 252 W N 0.531 121.850 121.300 0.031 0.000 2.425 252 W HA -0.056 4.604 4.660 0.000 0.000 0.277 252 W C 2.735 179.141 176.519 -0.188 0.000 1.231 252 W CA 0.994 58.275 57.345 -0.107 0.000 1.248 252 W CB -0.338 29.073 29.460 -0.081 0.000 1.117 252 W HN -0.030 nan 8.180 nan 0.000 0.568 253 R N -0.425 120.093 120.500 0.029 0.000 2.092 253 R HA -0.159 4.181 4.340 0.000 0.000 0.231 253 R C 1.690 178.096 176.300 0.177 0.000 1.119 253 R CA 1.623 57.769 56.100 0.076 0.000 0.970 253 R CB -0.545 29.783 30.300 0.046 0.000 0.864 253 R HN 0.122 nan 8.270 nan 0.000 0.440 254 W N 0.109 121.343 121.300 -0.111 0.000 2.770 254 W HA 0.143 4.803 4.660 0.000 0.000 0.256 254 W C 1.670 178.052 176.519 -0.229 0.000 1.291 254 W CA 0.459 57.710 57.345 -0.157 0.000 1.396 254 W CB -0.448 28.896 29.460 -0.193 0.000 1.114 254 W HN 0.107 nan 8.180 nan 0.000 0.637 255 T N 0.385 114.870 114.554 -0.115 0.000 2.904 255 T HA -0.040 4.310 4.350 0.000 0.000 0.243 255 T C 1.686 176.389 174.700 0.005 0.000 1.024 255 T CA 1.396 63.368 62.100 -0.213 0.000 1.158 255 T CB -0.225 68.284 68.868 -0.599 0.000 0.867 255 T HN 0.126 nan 8.240 nan 0.000 0.429 256 M N -0.299 119.364 119.600 0.104 0.000 2.346 256 M HA 0.612 5.093 4.480 0.000 0.000 0.280 256 M C 1.253 177.708 176.300 0.258 0.000 1.075 256 M CA 0.142 55.545 55.300 0.172 0.000 0.989 256 M CB 0.851 33.562 32.600 0.186 0.000 1.447 256 M HN 0.311 nan 8.290 nan 0.000 0.511 257 G N 2.235 111.159 108.800 0.206 0.000 2.157 257 G HA2 -0.316 3.644 3.960 0.000 0.000 0.248 257 G HA3 -0.316 3.644 3.960 0.000 0.000 0.248 257 G C 0.136 175.253 174.900 0.361 0.000 0.979 257 G CA 0.492 45.743 45.100 0.253 0.000 0.650 257 G HN 0.863 nan 8.290 nan 0.000 0.529 258 F N -0.223 119.794 119.950 0.112 0.000 3.031 258 F HA 0.268 4.795 4.527 0.000 0.000 0.365 258 F C 0.370 176.232 175.800 0.104 0.000 1.128 258 F CA 0.139 58.197 58.000 0.097 0.000 1.068 258 F CB -0.753 38.289 39.000 0.069 0.000 1.280 258 F HN 0.602 nan 8.300 nan 0.000 0.529 259 N N 2.104 120.730 118.700 -0.122 0.000 5.358 259 N HA -0.204 4.536 4.740 0.000 0.000 0.365 259 N C -0.424 175.138 175.510 0.086 0.000 1.010 259 N CA 1.205 54.249 53.050 -0.009 0.000 2.672 259 N CB -0.604 37.927 38.487 0.073 0.000 0.537 259 N HN 0.903 nan 8.380 nan 0.000 0.770 260 A N 0.038 122.910 122.820 0.087 0.000 2.681 260 A HA 0.821 5.141 4.320 0.000 0.000 0.278 260 A C -0.488 177.172 177.584 0.126 0.000 1.272 260 A CA 0.042 52.173 52.037 0.157 0.000 0.750 260 A CB 1.290 20.379 19.000 0.147 0.000 1.351 260 A HN 0.854 nan 8.150 nan 0.000 0.514 261 T N -0.175 114.457 114.554 0.130 0.000 2.930 261 T HA 0.404 4.754 4.350 0.000 0.000 0.290 261 T C 0.857 175.619 174.700 0.104 0.000 1.052 261 T CA -0.290 61.872 62.100 0.104 0.000 1.017 261 T CB 1.383 70.310 68.868 0.099 0.000 1.137 261 T HN 0.528 nan 8.240 nan 0.000 0.511 262 M N 1.089 120.756 119.600 0.112 0.000 2.394 262 M HA 0.103 4.583 4.480 0.000 0.000 0.264 262 M C 1.875 178.310 176.300 0.225 0.000 1.073 262 M CA 1.480 56.875 55.300 0.157 0.000 1.111 262 M CB -0.294 32.390 32.600 0.140 0.000 1.401 262 M HN 0.735 nan 8.290 nan 0.000 0.448 263 E N -1.322 118.973 120.200 0.158 0.000 2.060 263 E HA -0.055 4.295 4.350 0.000 0.000 0.189 263 E C 1.880 178.576 176.600 0.161 0.000 0.974 263 E CA 1.039 57.533 56.400 0.156 0.000 0.808 263 E CB -0.387 29.361 29.700 0.080 0.000 0.768 263 E HN 0.546 nan 8.360 nan 0.000 0.453 264 G N 1.044 109.911 108.800 0.111 0.000 2.484 264 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 264 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 264 G C 1.461 176.429 174.900 0.114 0.000 1.130 264 G CA 0.374 45.526 45.100 0.087 0.000 0.784 264 G HN 0.301 nan 8.290 nan 0.000 0.543 265 I N 0.496 121.091 120.570 0.041 0.000 2.614 265 I HA -0.012 4.158 4.170 0.000 0.000 0.258 265 I C 2.140 178.073 176.117 -0.307 0.000 1.189 265 I CA 0.836 62.083 61.300 -0.088 0.000 1.462 265 I CB -0.232 37.587 38.000 -0.302 0.000 1.092 265 I HN 0.271 nan 8.210 nan 0.000 0.442 266 H N -0.545 118.470 119.070 -0.091 0.000 2.535 266 H HA 0.149 4.705 4.556 0.000 0.000 0.273 266 H C 2.078 177.371 175.328 -0.058 0.000 0.983 266 H CA 0.643 56.608 56.048 -0.138 0.000 1.238 266 H CB -0.022 29.657 29.762 -0.138 0.000 1.412 266 H HN 0.252 nan 8.280 nan 0.000 0.562 267 R N -0.371 120.177 120.500 0.079 0.000 2.093 267 R HA -0.101 4.239 4.340 0.000 0.000 0.224 267 R C 1.383 177.767 176.300 0.140 0.000 1.101 267 R CA 1.097 57.251 56.100 0.090 0.000 0.979 267 R CB -0.343 29.984 30.300 0.045 0.000 0.877 267 R HN 0.386 nan 8.270 nan 0.000 0.441 268 W N 1.424 122.766 121.300 0.071 0.000 2.355 268 W HA -0.164 4.496 4.660 0.000 0.000 0.309 268 W C 2.641 179.172 176.519 0.019 0.000 1.206 268 W CA 1.226 58.606 57.345 0.058 0.000 1.284 268 W CB -0.231 29.213 29.460 -0.027 0.000 1.145 268 W HN 0.167 nan 8.180 nan 0.000 0.502 269 A N -0.194 122.708 122.820 0.137 0.000 1.933 269 A HA -0.191 4.129 4.320 0.000 0.000 0.218 269 A C 1.885 179.453 177.584 -0.026 0.000 1.175 269 A CA 1.649 53.665 52.037 -0.034 0.000 0.628 269 A CB -0.850 18.011 19.000 -0.233 0.000 0.814 269 A HN 0.399 nan 8.150 nan 0.000 0.444 270 I N -2.356 118.194 120.570 -0.034 0.000 2.406 270 I HA -0.183 3.987 4.170 0.000 0.000 0.249 270 I C 2.232 178.250 176.117 -0.165 0.000 1.122 270 I CA 1.007 62.229 61.300 -0.131 0.000 1.431 270 I CB -0.070 37.810 38.000 -0.199 0.000 1.087 270 I HN 0.595 nan 8.210 nan 0.000 0.424 271 W N 0.043 121.342 121.300 -0.001 0.000 2.407 271 W HA -0.227 4.433 4.660 0.000 0.000 0.305 271 W C 2.484 178.958 176.519 -0.075 0.000 1.196 271 W CA 0.908 58.226 57.345 -0.044 0.000 1.311 271 W CB -0.326 29.093 29.460 -0.068 0.000 1.135 271 W HN 0.139 nan 8.180 nan 0.000 0.514 272 M N 1.052 120.807 119.600 0.259 0.000 2.144 272 M HA -0.198 4.282 4.480 0.000 0.000 0.260 272 M C 1.898 178.279 176.300 0.135 0.000 1.067 272 M CA 2.452 57.886 55.300 0.223 0.000 1.095 272 M CB -0.724 32.033 32.600 0.261 0.000 1.365 272 M HN -0.034 nan 8.290 nan 0.000 0.406 273 A N -1.621 121.246 122.820 0.080 0.000 1.943 273 A HA 0.069 4.389 4.320 0.000 0.000 0.213 273 A C 2.148 179.754 177.584 0.036 0.000 1.181 273 A CA 1.151 53.228 52.037 0.067 0.000 0.653 273 A CB -0.902 18.120 19.000 0.036 0.000 0.833 273 A HN 0.340 nan 8.150 nan 0.000 0.451 274 V N 0.486 120.385 119.914 -0.024 0.000 2.343 274 V HA -0.225 3.895 4.120 0.000 0.000 0.247 274 V C 2.390 178.493 176.094 0.014 0.000 1.051 274 V CA 1.850 64.126 62.300 -0.040 0.000 1.036 274 V CB -0.623 31.058 31.823 -0.238 0.000 0.654 274 V HN 0.587 nan 8.190 nan 0.000 0.451 275 L N -0.632 120.553 121.223 -0.063 0.000 2.549 275 L HA -0.104 4.236 4.340 0.000 0.000 0.229 275 L C 2.213 179.044 176.870 -0.064 0.000 1.158 275 L CA 0.361 55.059 54.840 -0.237 0.000 0.842 275 L CB -0.573 40.894 42.059 -0.988 0.000 0.952 275 L HN 0.220 nan 8.230 nan 0.000 0.452 276 V N -0.001 119.970 119.914 0.096 0.000 2.229 276 V HA -0.270 3.850 4.120 0.000 0.000 0.243 276 V C 2.636 178.855 176.094 0.207 0.000 1.042 276 V CA 2.570 65.005 62.300 0.225 0.000 1.000 276 V CB -0.756 31.175 31.823 0.181 0.000 0.637 276 V HN 0.652 nan 8.190 nan 0.000 0.446 277 T N -1.924 112.740 114.554 0.184 0.000 3.043 277 T HA -0.021 4.329 4.350 0.000 0.000 0.263 277 T C 1.809 176.700 174.700 0.319 0.000 1.094 277 T CA 0.883 63.108 62.100 0.207 0.000 1.127 277 T CB -0.151 68.834 68.868 0.194 0.000 0.905 277 T HN 0.204 nan 8.240 nan 0.000 0.490 278 L N 1.653 123.061 121.223 0.309 0.000 2.027 278 L HA 0.094 4.434 4.340 0.000 0.000 0.206 278 L C 2.668 179.769 176.870 0.385 0.000 1.074 278 L CA 1.802 56.863 54.840 0.368 0.000 0.745 278 L CB -1.236 40.934 42.059 0.184 0.000 0.898 278 L HN 0.214 nan 8.230 nan 0.000 0.433 279 T N -0.971 113.783 114.554 0.334 0.000 2.777 279 T HA -0.070 4.280 4.350 0.000 0.000 0.266 279 T C 1.584 176.513 174.700 0.383 0.000 1.040 279 T CA 1.222 63.589 62.100 0.444 0.000 1.141 279 T CB -0.483 68.687 68.868 0.503 0.000 0.868 279 T HN 0.595 nan 8.240 nan 0.000 0.444 280 G N 0.288 109.251 108.800 0.271 0.000 2.403 280 G HA2 0.007 3.967 3.960 0.000 0.000 0.216 280 G HA3 0.007 3.967 3.960 0.000 0.000 0.216 280 G C 1.702 176.641 174.900 0.064 0.000 1.154 280 G CA 0.897 46.096 45.100 0.165 0.000 0.784 280 G HN 0.551 nan 8.290 nan 0.000 0.538 281 G N 1.087 109.912 108.800 0.041 0.000 2.422 281 G HA2 -0.173 3.787 3.960 0.000 0.000 0.218 281 G HA3 -0.173 3.787 3.960 0.000 0.000 0.218 281 G C 1.744 176.508 174.900 -0.226 0.000 1.146 281 G CA 0.763 45.672 45.100 -0.319 0.000 0.769 281 G HN 0.444 nan 8.290 nan 0.000 0.547 282 I N 1.150 121.753 120.570 0.056 0.000 2.226 282 I HA -0.086 4.084 4.170 0.000 0.000 0.245 282 I C 3.067 179.039 176.117 -0.242 0.000 1.100 282 I CA 1.031 62.259 61.300 -0.120 0.000 1.374 282 I CB -0.440 37.265 38.000 -0.493 0.000 1.057 282 I HN 0.249 nan 8.210 nan 0.000 0.413 283 G N 1.087 109.785 108.800 -0.169 0.000 2.432 283 G HA2 -0.168 3.792 3.960 0.000 0.000 0.219 283 G HA3 -0.168 3.792 3.960 0.000 0.000 0.219 283 G C 1.547 176.460 174.900 0.020 0.000 1.135 283 G CA 0.401 45.464 45.100 -0.062 0.000 0.767 283 G HN 0.216 nan 8.290 nan 0.000 0.550 284 I N 0.039 120.600 120.570 -0.015 0.000 2.716 284 I HA 0.083 4.253 4.170 0.000 0.000 0.259 284 I C 2.403 178.557 176.117 0.061 0.000 1.172 284 I CA 0.383 61.702 61.300 0.031 0.000 1.478 284 I CB -0.549 37.372 38.000 -0.132 0.000 1.104 284 I HN 0.122 nan 8.210 nan 0.000 0.439 285 L N 0.599 121.802 121.223 -0.032 0.000 2.072 285 L HA -0.087 4.254 4.340 0.000 0.000 0.205 285 L C 2.140 179.041 176.870 0.052 0.000 1.079 285 L CA 1.611 56.442 54.840 -0.015 0.000 0.752 285 L CB -0.631 41.398 42.059 -0.050 0.000 0.906 285 L HN 0.045 nan 8.230 nan 0.000 0.436 286 L N -0.642 120.627 121.223 0.076 0.000 2.275 286 L HA -0.005 4.335 4.340 0.000 0.000 0.215 286 L C 1.128 178.079 176.870 0.135 0.000 1.119 286 L CA 0.693 55.601 54.840 0.114 0.000 0.790 286 L CB -1.181 40.990 42.059 0.187 0.000 0.919 286 L HN 0.132 nan 8.230 nan 0.000 0.443 287 S N -0.459 115.374 115.700 0.221 0.000 2.505 287 S HA 0.441 4.911 4.470 0.000 0.000 0.276 287 S C 1.320 175.897 174.600 -0.039 0.000 1.274 287 S CA 0.197 58.451 58.200 0.090 0.000 1.053 287 S CB 0.837 64.067 63.200 0.049 0.000 0.919 287 S HN 0.569 nan 8.310 nan 0.000 0.490 288 G N 2.799 111.623 108.800 0.039 0.000 2.363 288 G HA2 -0.381 3.580 3.960 0.000 0.000 0.238 288 G HA3 -0.381 3.580 3.960 0.000 0.000 0.238 288 G C 1.082 175.994 174.900 0.021 0.000 1.062 288 G CA 1.185 46.365 45.100 0.134 0.000 0.629 288 G HN 0.877 nan 8.290 nan 0.000 0.514 289 T N -2.241 112.318 114.554 0.008 0.000 2.990 289 T HA 0.388 4.738 4.350 0.000 0.000 0.237 289 T C 2.186 176.871 174.700 -0.025 0.000 1.009 289 T CA 2.077 64.176 62.100 -0.002 0.000 1.195 289 T CB -0.275 68.603 68.868 0.018 0.000 0.885 289 T HN 0.541 nan 8.240 nan 0.000 0.424 290 V N 1.347 121.239 119.914 -0.036 0.000 2.341 290 V HA 0.236 4.356 4.120 0.000 0.000 0.240 290 V C 1.177 177.198 176.094 -0.121 0.000 1.035 290 V CA 0.432 62.704 62.300 -0.047 0.000 1.033 290 V CB -0.037 31.774 31.823 -0.018 0.000 0.678 290 V HN 0.384 nan 8.190 nan 0.000 0.464 291 V N 1.426 121.183 119.914 -0.261 0.000 2.406 291 V HA 0.201 4.321 4.120 0.000 0.000 0.272 291 V C 0.525 176.380 176.094 -0.398 0.000 1.043 291 V CA -0.004 62.003 62.300 -0.489 0.000 0.915 291 V CB 1.065 32.127 31.823 -1.269 0.000 0.988 291 V HN 0.426 nan 8.190 nan 0.000 0.466 292 D N 2.474 122.709 120.400 -0.275 0.000 2.271 292 D HA 0.037 4.677 4.640 0.000 0.000 0.206 292 D C 0.685 176.852 176.300 -0.221 0.000 0.967 292 D CA 0.823 54.702 54.000 -0.200 0.000 0.867 292 D CB 0.227 40.940 40.800 -0.146 0.000 0.960 292 D HN 0.500 nan 8.370 nan 0.000 0.509 293 N N -0.490 118.059 118.700 -0.253 0.000 2.533 293 N HA 0.025 4.765 4.740 0.000 0.000 0.289 293 N C -0.494 174.952 175.510 -0.106 0.000 1.103 293 N CA -0.508 52.464 53.050 -0.130 0.000 0.877 293 N CB 0.440 38.905 38.487 -0.036 0.000 1.419 293 N HN -0.037 nan 8.380 nan 0.000 0.517 294 W N 2.018 123.417 121.300 0.165 0.000 2.374 294 W HA -0.138 4.522 4.660 0.000 0.000 0.288 294 W C 1.690 178.392 176.519 0.306 0.000 1.218 294 W CA 0.518 58.006 57.345 0.238 0.000 1.245 294 W CB -0.224 29.369 29.460 0.221 0.000 1.126 294 W HN 0.676 nan 8.180 nan 0.000 0.545 295 Y N 0.556 120.974 120.300 0.197 0.000 2.114 295 Y HA -0.275 4.275 4.550 0.000 0.000 0.284 295 Y C 2.262 178.130 175.900 -0.053 0.000 1.143 295 Y CA 1.864 59.839 58.100 -0.208 0.000 1.135 295 Y CB -1.015 37.225 38.460 -0.365 0.000 0.980 295 Y HN -0.221 nan 8.280 nan 0.000 0.499 296 V N -0.445 119.386 119.914 -0.138 0.000 2.287 296 V HA -0.330 3.790 4.120 0.000 0.000 0.248 296 V C 2.150 178.162 176.094 -0.136 0.000 1.053 296 V CA 2.171 64.336 62.300 -0.224 0.000 1.027 296 V CB -1.055 30.723 31.823 -0.075 0.000 0.646 296 V HN 0.737 nan 8.190 nan 0.000 0.447 297 W N 1.172 122.377 121.300 -0.158 0.000 2.338 297 W HA -0.123 4.537 4.660 0.000 0.000 0.304 297 W C 2.268 178.779 176.519 -0.014 0.000 1.212 297 W CA 1.818 59.108 57.345 -0.093 0.000 1.264 297 W CB -0.639 28.740 29.460 -0.135 0.000 1.142 297 W HN 0.245 nan 8.180 nan 0.000 0.512 298 G N -0.421 108.512 108.800 0.221 0.000 2.448 298 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 298 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 298 G C 1.398 176.231 174.900 -0.110 0.000 1.127 298 G CA 0.781 45.958 45.100 0.128 0.000 0.766 298 G HN 0.272 nan 8.290 nan 0.000 0.552 299 Q N 0.441 120.084 119.800 -0.261 0.000 2.378 299 Q HA -0.006 4.334 4.340 0.000 0.000 0.205 299 Q C 0.384 176.259 176.000 -0.208 0.000 0.954 299 Q CA 0.507 56.154 55.803 -0.260 0.000 0.901 299 Q CB -0.055 28.447 28.738 -0.395 0.000 0.981 299 Q HN 0.679 nan 8.270 nan 0.000 0.483 300 N N 0.556 119.099 118.700 -0.262 0.000 3.170 300 N HA 0.201 4.941 4.740 0.000 0.000 0.305 300 N C -0.759 174.579 175.510 -0.287 0.000 1.499 300 N CA -0.099 52.802 53.050 -0.249 0.000 1.110 300 N CB 0.442 38.776 38.487 -0.254 0.000 1.390 300 N HN 0.052 nan 8.380 nan 0.000 0.508 301 H N 0.000 118.864 119.070 -0.343 0.000 2.539 301 H HA 0.000 4.556 4.556 0.000 0.000 0.296 301 H CA 0.000 55.855 56.048 -0.321 0.000 1.023 301 H CB 0.000 29.459 29.762 -0.505 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496