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 3ive_1_A DATA FIRST_RESID 22 DATA SEQUENCE AKDVTIIYTN DLHAHVEPYK VPWIADGKRD IGGWANITTL VKQEKAKNKA DATA SEQUENCE TWFFDAGDYF TGPYISSLTK GKAIIDIXNT XPFDAVTIGN HEFDHGWDNT DATA SEQUENCE LLQLSQAKFP IVQGNIFYQN SSKSFWDKPY TIIEKDGVKI GVIGLHGVFA DATA SEQUENCE FNDTVSAATR VGIEARDEIK WLQRYIDELK GKVDLTVALI HEGVPARQSS DATA SEQUENCE XXXXDVRRAL DKDIQTASQV KGLDILITGH AHVGTPEPIK VGNTLILSTD DATA SEQUENCE SGGIDVGKLV LDYKEKPHNF TVKNFELKTI YADEWKPDQQ TKQVIDGWNK DATA SEQUENCE KLDEVVQQTV AQSPVELKRA YGESASLGNL AADALLAAAG KNTQLALTNS DATA SEQUENCE GGIRNEIPAG AITXGGVIST FPFPNELVTX ELTGKQLRSL XEHGASLSNG DATA SEQUENCE VLQVSKGLEX KYDSSKPVGQ RVITLTLNGK PIEDATVYHI ATQSFLADGG DATA SEQUENCE DGFTAFTEGK ARNITGGYYV YHAVVDYFKA GNTITDEQLN GXRVKDIK 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.621 177.584 0.062 0.000 1.274 22 A CA 0.000 52.052 52.037 0.025 0.000 0.836 22 A CB 0.000 19.020 19.000 0.034 0.000 0.831 23 K N 1.130 121.594 120.400 0.107 0.000 2.468 23 K HA 0.504 4.823 4.320 -0.001 0.000 0.252 23 K C -1.573 175.128 176.600 0.169 0.000 0.932 23 K CA -0.693 55.679 56.287 0.142 0.000 0.794 23 K CB 1.527 34.144 32.500 0.194 0.000 1.241 23 K HN 0.724 nan 8.250 nan 0.000 0.428 24 D N 2.031 122.515 120.400 0.139 0.000 2.348 24 D HA 0.159 4.798 4.640 -0.001 0.000 0.253 24 D C -0.882 175.524 176.300 0.177 0.000 1.161 24 D CA 0.044 54.129 54.000 0.141 0.000 0.876 24 D CB 1.331 42.193 40.800 0.104 0.000 1.160 24 D HN 0.043 nan 8.370 nan 0.000 0.459 25 V N 3.225 123.250 119.914 0.185 0.000 2.378 25 V HA 0.346 4.466 4.120 -0.001 0.000 0.288 25 V C 0.157 176.363 176.094 0.186 0.000 1.016 25 V CA -0.475 61.959 62.300 0.223 0.000 0.840 25 V CB 1.915 33.794 31.823 0.092 0.000 0.994 25 V HN 0.489 nan 8.190 nan 0.000 0.431 26 T N 6.656 121.371 114.554 0.268 0.000 2.807 26 T HA 0.679 5.029 4.350 -0.001 0.000 0.279 26 T C -0.393 174.455 174.700 0.246 0.000 0.993 26 T CA -0.195 62.022 62.100 0.194 0.000 0.970 26 T CB 1.182 70.124 68.868 0.124 0.000 0.950 26 T HN 0.383 nan 8.240 nan 0.000 0.441 27 I N 4.049 124.732 120.570 0.189 0.000 2.410 27 I HA 0.466 4.636 4.170 -0.001 0.000 0.286 27 I C -0.600 175.662 176.117 0.242 0.000 1.009 27 I CA -0.713 60.711 61.300 0.207 0.000 1.111 27 I CB 1.443 39.571 38.000 0.214 0.000 1.262 27 I HN 0.448 nan 8.210 nan 0.000 0.443 28 I N 7.088 127.768 120.570 0.183 0.000 2.460 28 I HA 0.455 4.624 4.170 -0.001 0.000 0.298 28 I C -0.959 175.388 176.117 0.384 0.000 0.989 28 I CA -0.787 60.594 61.300 0.135 0.000 1.173 28 I CB 1.611 39.556 38.000 -0.090 0.000 1.338 28 I HN 0.472 nan 8.210 nan 0.000 0.456 29 Y N 2.526 122.990 120.300 0.273 0.000 2.581 29 Y HA 0.795 5.344 4.550 -0.001 0.000 0.337 29 Y C -0.764 175.296 175.900 0.265 0.000 1.108 29 Y CA -1.005 57.283 58.100 0.314 0.000 1.033 29 Y CB 1.253 39.877 38.460 0.274 0.000 1.318 29 Y HN 0.596 nan 8.280 nan 0.000 0.459 30 T N -0.186 114.567 114.554 0.331 0.000 2.864 30 T HA 0.769 5.119 4.350 -0.001 0.000 0.289 30 T C -1.321 173.528 174.700 0.248 0.000 1.082 30 T CA -0.913 61.311 62.100 0.207 0.000 1.009 30 T CB 2.249 71.198 68.868 0.137 0.000 1.234 30 T HN 1.199 nan 8.240 nan 0.000 0.526 31 N N -0.849 117.955 118.700 0.174 0.000 2.598 31 N HA 0.227 4.967 4.740 -0.001 0.000 0.263 31 N C -1.517 174.033 175.510 0.067 0.000 1.254 31 N CA -0.646 52.491 53.050 0.144 0.000 0.863 31 N CB 1.240 39.838 38.487 0.185 0.000 1.586 31 N HN 0.867 nan 8.380 nan 0.000 0.491 32 D N 0.650 121.067 120.400 0.028 0.000 2.689 32 D HA -0.144 4.495 4.640 -0.001 0.000 0.237 32 D C 1.072 177.337 176.300 -0.059 0.000 1.148 32 D CA 0.377 54.307 54.000 -0.116 0.000 0.656 32 D CB -0.819 39.879 40.800 -0.169 0.000 1.050 32 D HN 0.527 nan 8.370 nan 0.000 0.426 33 L N -0.240 120.994 121.223 0.018 0.000 2.131 33 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 33 L C 1.086 178.231 176.870 0.458 0.000 1.092 33 L CA 0.982 55.969 54.840 0.245 0.000 0.759 33 L CB -0.382 41.740 42.059 0.106 0.000 0.903 33 L HN 0.388 nan 8.230 nan 0.000 0.435 34 H N -0.735 118.521 119.070 0.310 0.000 2.626 34 H HA -0.210 4.345 4.556 -0.001 0.000 0.317 34 H C 1.295 176.622 175.328 -0.002 0.000 1.140 34 H CA 0.612 56.747 56.048 0.145 0.000 1.134 34 H CB -1.254 28.562 29.762 0.090 0.000 1.486 34 H HN 0.494 nan 8.280 nan 0.000 0.417 35 A N -0.273 122.683 122.820 0.226 0.000 2.816 35 A HA -0.290 4.029 4.320 -0.001 0.000 0.270 35 A C 0.750 177.966 177.584 -0.613 0.000 1.413 35 A CA 1.439 53.324 52.037 -0.253 0.000 0.866 35 A CB -1.841 16.974 19.000 -0.309 0.000 1.032 35 A HN 0.713 nan 8.150 nan 0.000 0.642 36 H N 0.374 119.267 119.070 -0.296 0.000 2.970 36 H HA 0.259 4.814 4.556 -0.001 0.000 0.226 36 H C 1.797 176.708 175.328 -0.695 0.000 1.909 36 H CA 0.926 56.707 56.048 -0.444 0.000 1.388 36 H CB -0.178 29.400 29.762 -0.305 0.000 1.773 36 H HN 0.768 nan 8.280 nan 0.000 0.559 37 V N -0.573 118.748 119.914 -0.989 0.000 2.667 37 V HA 0.013 4.132 4.120 -0.001 0.000 0.252 37 V C 0.790 176.614 176.094 -0.450 0.000 1.065 37 V CA 0.851 62.409 62.300 -1.237 0.000 1.083 37 V CB 0.152 31.356 31.823 -1.033 0.000 0.692 37 V HN 0.284 nan 8.190 nan 0.000 0.468 38 E N 0.753 120.798 120.200 -0.259 0.000 2.222 38 E HA 0.463 4.813 4.350 -0.001 0.000 0.267 38 E C -2.681 173.984 176.600 0.108 0.000 0.963 38 E CA -2.648 53.717 56.400 -0.058 0.000 0.837 38 E CB 1.326 30.988 29.700 -0.064 0.000 1.183 38 E HN 0.228 nan 8.360 nan 0.000 0.403 39 P HA -0.023 nan 4.420 nan 0.000 0.267 39 P C -1.356 176.069 177.300 0.209 0.000 1.200 39 P CA 0.583 63.767 63.100 0.141 0.000 0.772 39 P CB 0.122 31.855 31.700 0.055 0.000 0.855 40 Y N -1.267 119.007 120.300 -0.043 0.000 2.670 40 Y HA 0.631 5.180 4.550 -0.001 0.000 0.334 40 Y C -1.021 174.830 175.900 -0.081 0.000 1.185 40 Y CA -1.484 56.587 58.100 -0.050 0.000 1.053 40 Y CB 1.010 39.453 38.460 -0.029 0.000 1.298 40 Y HN -0.017 nan 8.280 nan 0.000 0.459 41 K N 1.565 121.958 120.400 -0.011 0.000 2.110 41 K HA 0.661 4.980 4.320 -0.001 0.000 0.263 41 K C -1.267 175.255 176.600 -0.130 0.000 0.975 41 K CA -0.951 55.263 56.287 -0.122 0.000 0.895 41 K CB 2.506 34.981 32.500 -0.040 0.000 1.060 41 K HN 0.602 nan 8.250 nan 0.000 0.448 42 V N 3.986 123.735 119.914 -0.275 0.000 2.531 42 V HA 0.164 4.284 4.120 -0.001 0.000 0.301 42 V C -1.774 174.132 176.094 -0.313 0.000 1.034 42 V CA -1.701 60.388 62.300 -0.351 0.000 0.865 42 V CB 1.824 33.219 31.823 -0.714 0.000 0.995 42 V HN 0.521 nan 8.190 nan 0.000 0.424 43 P HA -0.094 nan 4.420 nan 0.000 0.219 43 P C 1.118 178.441 177.300 0.039 0.000 1.146 43 P CA 1.288 64.386 63.100 -0.002 0.000 0.808 43 P CB 0.102 31.871 31.700 0.114 0.000 0.779 44 W N -1.502 119.809 121.300 0.019 0.000 3.316 44 W HA 0.407 5.067 4.660 -0.001 0.000 0.327 44 W C -0.429 176.102 176.519 0.020 0.000 1.232 44 W CA -0.309 57.048 57.345 0.020 0.000 1.805 44 W CB -0.688 28.785 29.460 0.022 0.000 1.090 44 W HN -0.130 nan 8.180 nan 0.000 0.654 45 I N 1.624 122.009 120.570 -0.307 0.000 2.389 45 I HA 0.405 4.574 4.170 -0.001 0.000 0.288 45 I C 1.048 177.111 176.117 -0.091 0.000 0.999 45 I CA -0.707 60.463 61.300 -0.217 0.000 1.129 45 I CB 1.599 39.336 38.000 -0.438 0.000 1.288 45 I HN 0.004 nan 8.210 nan 0.000 0.444 46 A N 4.825 127.644 122.820 -0.003 0.000 2.665 46 A HA -0.280 4.040 4.320 -0.001 0.000 0.301 46 A C 0.929 178.507 177.584 -0.011 0.000 1.509 46 A CA 1.251 53.286 52.037 -0.004 0.000 0.789 46 A CB -1.623 17.367 19.000 -0.017 0.000 1.024 46 A HN 1.072 nan 8.150 nan 0.000 0.460 47 D N -2.900 117.504 120.400 0.008 0.000 2.811 47 D HA -0.027 4.612 4.640 -0.001 0.000 0.231 47 D C 1.467 177.764 176.300 -0.005 0.000 1.157 47 D CA 2.913 56.923 54.000 0.017 0.000 0.716 47 D CB -1.357 39.456 40.800 0.022 0.000 1.077 47 D HN 2.435 nan 8.370 nan 0.000 0.428 48 G N -0.257 108.519 108.800 -0.041 0.000 2.179 48 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.257 48 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.257 48 G C 0.962 175.839 174.900 -0.039 0.000 1.010 48 G CA 0.708 45.776 45.100 -0.053 0.000 0.736 48 G HN 0.475 nan 8.290 nan 0.000 0.513 49 K N -0.767 119.611 120.400 -0.036 0.000 2.358 49 K HA 0.191 4.510 4.320 -0.001 0.000 0.200 49 K C 0.955 177.537 176.600 -0.031 0.000 1.030 49 K CA -0.150 56.121 56.287 -0.027 0.000 1.097 49 K CB 1.074 33.562 32.500 -0.020 0.000 0.862 49 K HN 0.488 nan 8.250 nan 0.000 0.534 50 R N 1.691 122.168 120.500 -0.038 0.000 2.513 50 R HA 0.149 4.488 4.340 -0.001 0.000 0.301 50 R C -1.257 175.023 176.300 -0.032 0.000 0.968 50 R CA -0.436 55.652 56.100 -0.020 0.000 0.872 50 R CB 1.138 31.436 30.300 -0.003 0.000 1.177 50 R HN -0.130 nan 8.270 nan 0.000 0.444 51 D N 4.507 124.893 120.400 -0.023 0.000 2.425 51 D HA 0.127 4.767 4.640 -0.001 0.000 0.247 51 D C 0.193 176.442 176.300 -0.085 0.000 1.147 51 D CA 0.388 54.347 54.000 -0.067 0.000 0.879 51 D CB 0.701 41.490 40.800 -0.018 0.000 1.179 51 D HN 0.379 nan 8.370 nan 0.000 0.456 52 I N -1.368 119.030 120.570 -0.287 0.000 2.910 52 I HA 0.785 4.954 4.170 -0.001 0.000 0.310 52 I C 0.942 176.848 176.117 -0.352 0.000 1.043 52 I CA -0.603 60.488 61.300 -0.349 0.000 1.053 52 I CB 1.374 39.070 38.000 -0.507 0.000 1.242 52 I HN 0.512 nan 8.210 nan 0.000 0.452 53 G N 1.436 110.096 108.800 -0.235 0.000 2.552 53 G HA2 0.392 4.351 3.960 -0.001 0.000 0.265 53 G HA3 0.392 4.351 3.960 -0.001 0.000 0.265 53 G C 0.344 175.267 174.900 0.037 0.000 1.234 53 G CA 0.159 45.219 45.100 -0.067 0.000 0.944 53 G HN 2.918 nan 8.290 nan 0.000 0.568 54 G N -3.605 105.311 108.800 0.193 0.000 3.355 54 G HA2 0.165 4.124 3.960 -0.001 0.000 0.686 54 G HA3 0.165 4.124 3.960 -0.001 0.000 0.686 54 G C 0.225 175.283 174.900 0.264 0.000 1.097 54 G CA 0.591 45.796 45.100 0.175 0.000 0.881 54 G HN 1.573 nan 8.290 nan 0.000 0.550 55 W N 1.892 123.188 121.300 -0.005 0.000 2.467 55 W HA 0.214 4.873 4.660 -0.001 0.000 0.275 55 W C 2.564 179.042 176.519 -0.068 0.000 1.239 55 W CA 1.572 58.901 57.345 -0.025 0.000 1.266 55 W CB -0.888 28.587 29.460 0.025 0.000 1.112 55 W HN 1.079 nan 8.180 nan 0.000 0.576 56 A N 0.655 123.578 122.820 0.172 0.000 1.933 56 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 56 A C 1.977 179.553 177.584 -0.012 0.000 1.175 56 A CA 1.786 53.865 52.037 0.070 0.000 0.628 56 A CB -0.712 18.328 19.000 0.068 0.000 0.814 56 A HN 0.212 nan 8.150 nan 0.000 0.444 57 N N 0.301 118.977 118.700 -0.040 0.000 2.120 57 N HA -0.095 4.644 4.740 -0.001 0.000 0.188 57 N C 1.629 176.858 175.510 -0.470 0.000 1.024 57 N CA 1.557 54.493 53.050 -0.190 0.000 0.852 57 N CB -0.462 37.909 38.487 -0.193 0.000 1.003 57 N HN 0.568 nan 8.380 nan 0.000 0.424 58 I N 0.904 121.244 120.570 -0.384 0.000 2.286 58 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 58 I C 1.922 177.742 176.117 -0.495 0.000 1.115 58 I CA 1.000 62.003 61.300 -0.495 0.000 1.392 58 I CB -0.495 37.295 38.000 -0.351 0.000 1.065 58 I HN 0.103 nan 8.210 nan 0.000 0.418 59 T N 0.041 114.405 114.554 -0.316 0.000 2.684 59 T HA -0.187 4.163 4.350 -0.001 0.000 0.267 59 T C 1.924 176.466 174.700 -0.263 0.000 1.036 59 T CA 2.125 64.057 62.100 -0.280 0.000 1.148 59 T CB -0.431 68.359 68.868 -0.131 0.000 0.863 59 T HN 0.369 nan 8.240 nan 0.000 0.436 60 T N 2.463 116.900 114.554 -0.195 0.000 2.684 60 T HA -0.020 4.329 4.350 -0.001 0.000 0.267 60 T C 1.929 176.553 174.700 -0.126 0.000 1.036 60 T CA 1.015 63.065 62.100 -0.084 0.000 1.148 60 T CB -0.551 68.366 68.868 0.082 0.000 0.863 60 T HN 0.259 nan 8.240 nan 0.000 0.436 61 L N 1.108 122.085 121.223 -0.409 0.000 1.989 61 L HA -0.148 4.192 4.340 -0.001 0.000 0.211 61 L C 2.411 179.083 176.870 -0.331 0.000 1.071 61 L CA 1.556 56.138 54.840 -0.430 0.000 0.749 61 L CB -0.384 41.139 42.059 -0.893 0.000 0.890 61 L HN 0.105 nan 8.230 nan 0.000 0.431 62 V N -0.100 119.512 119.914 -0.503 0.000 2.358 62 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 62 V C 2.530 178.426 176.094 -0.330 0.000 1.047 62 V CA 1.969 63.942 62.300 -0.546 0.000 1.035 62 V CB -0.644 30.602 31.823 -0.963 0.000 0.658 62 V HN 0.430 nan 8.190 nan 0.000 0.452 63 K N -0.174 120.069 120.400 -0.261 0.000 2.063 63 K HA -0.236 4.083 4.320 -0.001 0.000 0.208 63 K C 2.307 178.841 176.600 -0.111 0.000 1.048 63 K CA 1.710 57.901 56.287 -0.160 0.000 0.928 63 K CB -0.206 32.224 32.500 -0.115 0.000 0.713 63 K HN 0.548 nan 8.250 nan 0.000 0.442 64 Q N 0.253 120.004 119.800 -0.081 0.000 2.119 64 Q HA -0.135 4.204 4.340 -0.001 0.000 0.201 64 Q C 1.925 177.892 176.000 -0.054 0.000 0.972 64 Q CA 0.961 56.743 55.803 -0.035 0.000 0.847 64 Q CB 0.133 28.892 28.738 0.034 0.000 0.903 64 Q HN 0.252 nan 8.270 nan 0.000 0.433 65 E N 1.013 121.160 120.200 -0.088 0.000 2.106 65 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 65 E C 1.741 178.283 176.600 -0.096 0.000 0.984 65 E CA 0.983 57.330 56.400 -0.089 0.000 0.806 65 E CB -0.001 29.627 29.700 -0.121 0.000 0.750 65 E HN 0.300 nan 8.360 nan 0.000 0.458 66 K N 0.554 120.877 120.400 -0.127 0.000 2.148 66 K HA -0.011 4.308 4.320 -0.001 0.000 0.204 66 K C 2.075 178.615 176.600 -0.100 0.000 1.050 66 K CA 0.929 57.138 56.287 -0.131 0.000 0.942 66 K CB -0.025 32.382 32.500 -0.155 0.000 0.724 66 K HN 0.018 nan 8.250 nan 0.000 0.446 67 A N 1.568 124.340 122.820 -0.080 0.000 1.968 67 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 67 A C 1.798 179.354 177.584 -0.047 0.000 1.169 67 A CA 1.256 53.258 52.037 -0.059 0.000 0.638 67 A CB -0.110 18.862 19.000 -0.047 0.000 0.812 67 A HN 0.142 nan 8.150 nan 0.000 0.446 68 K N -1.180 119.193 120.400 -0.044 0.000 2.167 68 K HA -0.041 4.279 4.320 -0.001 0.000 0.203 68 K C 0.023 176.608 176.600 -0.027 0.000 1.052 68 K CA 0.833 57.102 56.287 -0.030 0.000 0.956 68 K CB 0.030 32.515 32.500 -0.024 0.000 0.735 68 K HN 0.468 nan 8.250 nan 0.000 0.451 69 N N 0.261 118.938 118.700 -0.038 0.000 2.454 69 N HA 0.107 4.846 4.740 -0.001 0.000 0.291 69 N C -0.252 175.218 175.510 -0.067 0.000 1.079 69 N CA -0.260 52.773 53.050 -0.030 0.000 0.893 69 N CB 1.400 39.886 38.487 -0.002 0.000 1.512 69 N HN -0.241 nan 8.380 nan 0.000 0.497 70 K N 1.507 121.866 120.400 -0.067 0.000 2.063 70 K HA -0.006 4.313 4.320 -0.001 0.000 0.208 70 K C 0.449 176.921 176.600 -0.213 0.000 1.048 70 K CA 1.411 57.627 56.287 -0.118 0.000 0.928 70 K CB -0.022 32.429 32.500 -0.081 0.000 0.713 70 K HN 0.567 nan 8.250 nan 0.000 0.442 71 A N 2.241 124.977 122.820 -0.139 0.000 3.037 71 A HA 0.136 4.456 4.320 -0.001 0.000 0.272 71 A C -0.646 176.870 177.584 -0.114 0.000 1.723 71 A CA 0.071 51.992 52.037 -0.194 0.000 1.413 71 A CB -0.207 18.888 19.000 0.159 0.000 1.112 71 A HN 0.031 nan 8.150 nan 0.000 0.606 72 T N 2.083 116.394 114.554 -0.405 0.000 2.879 72 T HA 0.445 4.794 4.350 -0.001 0.000 0.290 72 T C -0.755 173.785 174.700 -0.267 0.000 0.993 72 T CA -0.302 61.734 62.100 -0.107 0.000 0.975 72 T CB 0.731 69.530 68.868 -0.114 0.000 0.981 72 T HN 0.589 nan 8.240 nan 0.000 0.439 73 W N 2.610 123.799 121.300 -0.186 0.000 2.706 73 W HA 0.651 5.310 4.660 -0.001 0.000 0.346 73 W C -1.080 175.175 176.519 -0.440 0.000 1.071 73 W CA -0.986 56.128 57.345 -0.385 0.000 1.206 73 W CB 1.894 30.981 29.460 -0.621 0.000 1.413 73 W HN 0.461 nan 8.180 nan 0.000 0.542 74 F N 3.382 123.049 119.950 -0.472 0.000 2.507 74 F HA 0.580 5.106 4.527 -0.001 0.000 0.328 74 F C -1.807 173.834 175.800 -0.265 0.000 1.136 74 F CA -1.967 55.818 58.000 -0.357 0.000 0.930 74 F CB 0.466 39.277 39.000 -0.316 0.000 1.166 74 F HN 0.039 nan 8.300 nan 0.000 0.436 75 F N 3.855 123.843 119.950 0.064 0.000 2.593 75 F HA 0.470 4.997 4.527 -0.001 0.000 0.320 75 F C -0.310 175.423 175.800 -0.113 0.000 1.060 75 F CA -1.184 56.796 58.000 -0.034 0.000 0.940 75 F CB 1.692 40.744 39.000 0.086 0.000 1.268 75 F HN 0.398 nan 8.300 nan 0.000 0.475 76 D N 0.396 120.845 120.400 0.081 0.000 2.879 76 D HA 0.507 5.146 4.640 -0.001 0.000 0.236 76 D C -0.894 175.442 176.300 0.059 0.000 1.171 76 D CA -0.428 53.587 54.000 0.024 0.000 0.868 76 D CB 2.483 43.169 40.800 -0.191 0.000 1.598 76 D HN 0.652 nan 8.370 nan 0.000 0.497 77 A N 2.371 125.260 122.820 0.115 0.000 2.640 77 A HA 0.607 4.926 4.320 -0.001 0.000 0.282 77 A C 0.880 178.570 177.584 0.175 0.000 1.357 77 A CA 0.584 52.694 52.037 0.120 0.000 0.946 77 A CB -0.638 18.431 19.000 0.115 0.000 1.065 77 A HN 0.962 nan 8.150 nan 0.000 0.541 78 G N -0.812 108.036 108.800 0.080 0.000 2.603 78 G HA2 0.208 4.168 3.960 -0.001 0.000 0.686 78 G HA3 0.208 4.168 3.960 -0.001 0.000 0.686 78 G C -0.356 174.361 174.900 -0.305 0.000 1.286 78 G CA -0.183 44.795 45.100 -0.203 0.000 0.871 78 G HN 0.651 nan 8.290 nan 0.000 0.568 79 D N -1.660 118.341 120.400 -0.666 0.000 2.775 79 D HA -0.189 4.451 4.640 -0.001 0.000 0.235 79 D C 0.975 176.941 176.300 -0.556 0.000 1.120 79 D CA 2.044 55.742 54.000 -0.503 0.000 0.708 79 D CB -1.531 39.188 40.800 -0.135 0.000 1.084 79 D HN 1.034 nan 8.370 nan 0.000 0.434 80 Y N -2.325 117.873 120.300 -0.170 0.000 2.457 80 Y HA 0.223 4.772 4.550 -0.001 0.000 0.292 80 Y C 1.063 177.147 175.900 0.307 0.000 1.125 80 Y CA -0.258 57.858 58.100 0.026 0.000 1.254 80 Y CB -0.076 38.349 38.460 -0.058 0.000 1.012 80 Y HN -0.074 nan 8.280 nan 0.000 0.555 81 F N 1.866 121.775 119.950 -0.068 0.000 2.410 81 F HA 0.430 4.957 4.527 -0.001 0.000 0.334 81 F C 0.721 176.526 175.800 0.008 0.000 1.134 81 F CA -0.932 57.081 58.000 0.021 0.000 1.227 81 F CB 0.424 39.436 39.000 0.019 0.000 1.194 81 F HN -0.032 nan 8.300 nan 0.000 0.571 82 T N 0.786 115.413 114.554 0.121 0.000 0.822 82 T HA 0.383 4.732 4.350 -0.001 0.000 0.747 82 T C -0.009 174.590 174.700 -0.167 0.000 0.986 82 T CA 0.382 62.440 62.100 -0.070 0.000 3.943 82 T CB -1.208 67.621 68.868 -0.066 0.000 2.233 82 T HN 1.415 nan 8.240 nan 0.000 0.397 83 G N 3.778 112.377 108.800 -0.336 0.000 2.520 83 G HA2 0.442 4.402 3.960 -0.001 0.000 0.067 83 G HA3 0.442 4.402 3.960 -0.001 0.000 0.067 83 G C -3.059 171.556 174.900 -0.475 0.000 0.977 83 G CA -0.376 44.462 45.100 -0.437 0.000 1.152 83 G HN 0.681 nan 8.290 nan 0.000 0.479 84 P HA 0.130 nan 4.420 nan 0.000 0.264 84 P C 0.497 177.475 177.300 -0.537 0.000 1.179 84 P CA 0.453 63.196 63.100 -0.596 0.000 0.763 84 P CB -0.016 31.239 31.700 -0.741 0.000 0.806 85 Y N 2.327 122.442 120.300 -0.309 0.000 2.365 85 Y HA -0.190 4.359 4.550 -0.001 0.000 0.287 85 Y C 1.859 177.590 175.900 -0.282 0.000 1.162 85 Y CA 0.702 58.629 58.100 -0.288 0.000 1.260 85 Y CB -1.155 37.153 38.460 -0.254 0.000 0.976 85 Y HN 0.258 nan 8.280 nan 0.000 0.548 86 I N -0.122 120.108 120.570 -0.566 0.000 2.423 86 I HA -0.310 3.860 4.170 -0.001 0.000 0.254 86 I C 2.547 178.412 176.117 -0.419 0.000 1.151 86 I CA 1.653 62.709 61.300 -0.405 0.000 1.421 86 I CB -0.227 37.458 38.000 -0.525 0.000 1.079 86 I HN 0.483 nan 8.210 nan 0.000 0.431 87 S N -0.538 114.916 115.700 -0.411 0.000 2.325 87 S HA -0.141 4.329 4.470 -0.001 0.000 0.214 87 S C 2.147 176.538 174.600 -0.348 0.000 1.031 87 S CA 1.599 59.553 58.200 -0.411 0.000 0.972 87 S CB -0.203 62.803 63.200 -0.324 0.000 0.908 87 S HN 0.534 nan 8.310 nan 0.000 0.453 88 S N 1.681 117.249 115.700 -0.221 0.000 2.359 88 S HA 0.008 4.478 4.470 -0.001 0.000 0.224 88 S C 1.754 176.231 174.600 -0.205 0.000 1.035 88 S CA 1.389 59.514 58.200 -0.126 0.000 1.018 88 S CB -0.545 62.605 63.200 -0.083 0.000 0.876 88 S HN 0.460 nan 8.310 nan 0.000 0.448 89 L N 1.179 122.307 121.223 -0.159 0.000 2.456 89 L HA -0.033 4.306 4.340 -0.001 0.000 0.224 89 L C 2.117 178.892 176.870 -0.157 0.000 1.148 89 L CA 1.283 56.058 54.840 -0.108 0.000 0.825 89 L CB -0.617 41.419 42.059 -0.039 0.000 0.937 89 L HN 0.472 nan 8.230 nan 0.000 0.450 90 T N -5.521 108.856 114.554 -0.294 0.000 3.084 90 T HA 0.145 4.494 4.350 -0.001 0.000 0.270 90 T C 0.741 175.192 174.700 -0.415 0.000 1.008 90 T CA -0.465 61.427 62.100 -0.347 0.000 0.900 90 T CB 0.130 68.639 68.868 -0.597 0.000 1.084 90 T HN 0.156 nan 8.240 nan 0.000 0.538 91 K N 0.969 121.024 120.400 -0.574 0.000 3.016 91 K HA -0.211 4.109 4.320 -0.001 0.000 0.262 91 K C 1.169 177.381 176.600 -0.646 0.000 1.043 91 K CA 0.471 56.265 56.287 -0.822 0.000 0.761 91 K CB -2.015 30.177 32.500 -0.514 0.000 1.230 91 K HN 0.932 nan 8.250 nan 0.000 0.485 92 G N 0.119 108.425 108.800 -0.823 0.000 2.199 92 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.254 92 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.254 92 G C 0.746 175.225 174.900 -0.703 0.000 0.982 92 G CA 0.912 45.197 45.100 -1.360 0.000 0.632 92 G HN 0.412 nan 8.290 nan 0.000 0.529 93 K N 0.679 120.809 120.400 -0.451 0.000 2.063 93 K HA 0.098 4.418 4.320 -0.001 0.000 0.208 93 K C 2.881 179.260 176.600 -0.368 0.000 1.048 93 K CA 2.100 58.234 56.287 -0.256 0.000 0.928 93 K CB -0.405 32.003 32.500 -0.154 0.000 0.713 93 K HN 0.741 nan 8.250 nan 0.000 0.442 94 A N 1.149 123.472 122.820 -0.828 0.000 1.969 94 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 94 A C 1.961 179.264 177.584 -0.467 0.000 1.169 94 A CA 1.104 52.428 52.037 -1.190 0.000 0.635 94 A CB -0.392 17.563 19.000 -1.741 0.000 0.810 94 A HN 0.276 nan 8.150 nan 0.000 0.445 95 I N 0.286 120.669 120.570 -0.313 0.000 2.252 95 I HA -0.180 3.990 4.170 -0.001 0.000 0.245 95 I C 2.286 178.544 176.117 0.235 0.000 1.102 95 I CA 1.023 62.343 61.300 0.032 0.000 1.385 95 I CB -1.045 37.043 38.000 0.146 0.000 1.064 95 I HN 0.219 nan 8.210 nan 0.000 0.414 96 I N 0.955 121.651 120.570 0.211 0.000 2.286 96 I HA -0.251 3.918 4.170 -0.001 0.000 0.248 96 I C 2.194 178.460 176.117 0.248 0.000 1.115 96 I CA 1.395 62.851 61.300 0.261 0.000 1.392 96 I CB -1.306 36.825 38.000 0.218 0.000 1.065 96 I HN 0.201 nan 8.210 nan 0.000 0.418 97 D N 1.029 121.548 120.400 0.198 0.000 2.117 97 D HA -0.043 4.596 4.640 -0.001 0.000 0.197 97 D C 1.375 177.841 176.300 0.276 0.000 0.987 97 D CA 0.782 54.940 54.000 0.263 0.000 0.829 97 D CB -0.035 41.013 40.800 0.413 0.000 0.961 97 D HN 0.238 nan 8.370 nan 0.000 0.460 104 F N 1.269 121.217 119.950 -0.004 0.000 2.529 104 F HA 0.145 4.672 4.527 -0.001 0.000 0.365 104 F C 1.763 177.536 175.800 -0.046 0.000 1.102 104 F CA 0.535 58.384 58.000 -0.252 0.000 1.271 104 F CB 0.800 39.359 39.000 -0.735 0.000 1.120 104 F HN 0.015 nan 8.300 nan 0.000 0.579 105 D N 1.680 122.190 120.400 0.183 0.000 2.301 105 D HA 0.275 4.915 4.640 -0.001 0.000 0.206 105 D C 0.248 176.784 176.300 0.393 0.000 0.979 105 D CA 0.690 54.843 54.000 0.256 0.000 0.874 105 D CB 0.555 41.484 40.800 0.214 0.000 0.968 105 D HN 0.459 nan 8.370 nan 0.000 0.510 106 A N 0.424 123.504 122.820 0.433 0.000 2.583 106 A HA 0.485 4.804 4.320 -0.001 0.000 0.298 106 A C -1.032 176.661 177.584 0.182 0.000 1.055 106 A CA -0.679 51.562 52.037 0.340 0.000 0.714 106 A CB 1.210 20.400 19.000 0.317 0.000 1.277 106 A HN -0.017 nan 8.150 nan 0.000 0.406 107 V N -1.107 118.833 119.914 0.043 0.000 3.102 107 V HA 0.976 5.095 4.120 -0.001 0.000 0.312 107 V C -0.147 175.925 176.094 -0.037 0.000 1.135 107 V CA 0.109 62.361 62.300 -0.080 0.000 1.022 107 V CB 1.360 32.971 31.823 -0.353 0.000 1.056 107 V HN 1.455 nan 8.190 nan 0.000 0.436 108 T N 1.217 115.757 114.554 -0.024 0.000 2.876 108 T HA 0.713 5.062 4.350 -0.001 0.000 0.277 108 T C -0.556 174.094 174.700 -0.083 0.000 0.997 108 T CA -0.737 61.325 62.100 -0.064 0.000 0.966 108 T CB 1.086 69.930 68.868 -0.039 0.000 1.312 108 T HN 0.701 nan 8.240 nan 0.000 0.598 109 I N 1.706 122.184 120.570 -0.153 0.000 2.362 109 I HA 0.508 4.677 4.170 -0.001 0.000 0.289 109 I C 0.819 176.834 176.117 -0.170 0.000 0.994 109 I CA -0.886 60.268 61.300 -0.244 0.000 1.158 109 I CB 1.521 39.367 38.000 -0.257 0.000 1.315 109 I HN 0.669 nan 8.210 nan 0.000 0.451 110 G N 3.741 112.277 108.800 -0.441 0.000 2.531 110 G HA2 0.146 4.105 3.960 -0.001 0.000 0.313 110 G HA3 0.146 4.105 3.960 -0.001 0.000 0.313 110 G C 0.856 175.668 174.900 -0.147 0.000 1.238 110 G CA -0.609 44.095 45.100 -0.660 0.000 0.994 110 G HN 0.720 nan 8.290 nan 0.000 0.493 111 N N -0.499 118.226 118.700 0.042 0.000 2.149 111 N HA -0.202 4.537 4.740 -0.001 0.000 0.188 111 N C 1.247 176.742 175.510 -0.024 0.000 1.019 111 N CA 1.378 54.459 53.050 0.050 0.000 0.857 111 N CB -0.425 38.042 38.487 -0.032 0.000 0.997 111 N HN 0.572 nan 8.380 nan 0.000 0.426 112 H N 0.476 119.583 119.070 0.061 0.000 2.524 112 H HA 0.064 4.619 4.556 -0.001 0.000 0.282 112 H C 1.051 176.377 175.328 -0.004 0.000 1.016 112 H CA 0.758 56.865 56.048 0.099 0.000 1.270 112 H CB 0.250 30.134 29.762 0.204 0.000 1.394 112 H HN 0.337 nan 8.280 nan 0.000 0.568 113 E N 0.039 120.095 120.200 -0.240 0.000 2.409 113 E HA -0.082 4.267 4.350 -0.001 0.000 0.198 113 E C 0.948 177.316 176.600 -0.386 0.000 1.024 113 E CA 0.428 56.446 56.400 -0.637 0.000 0.861 113 E CB -0.235 28.843 29.700 -1.037 0.000 0.788 113 E HN 0.377 nan 8.360 nan 0.000 0.521 114 F N 0.072 119.991 119.950 -0.051 0.000 2.765 114 F HA 0.088 4.614 4.527 -0.001 0.000 0.302 114 F C 1.275 177.083 175.800 0.013 0.000 1.111 114 F CA 0.048 58.045 58.000 -0.005 0.000 1.359 114 F CB 0.332 39.253 39.000 -0.132 0.000 1.097 114 F HN -0.094 nan 8.300 nan 0.000 0.577 115 D N -0.829 119.647 120.400 0.127 0.000 2.263 115 D HA -0.125 4.515 4.640 -0.001 0.000 0.208 115 D C 1.417 177.546 176.300 -0.285 0.000 0.971 115 D CA 1.270 55.237 54.000 -0.055 0.000 0.867 115 D CB -0.212 40.543 40.800 -0.076 0.000 0.929 115 D HN 0.392 nan 8.370 nan 0.000 0.492 116 H N -0.826 118.347 119.070 0.172 0.000 2.528 116 H HA 0.478 5.033 4.556 -0.001 0.000 0.282 116 H C 1.010 176.400 175.328 0.103 0.000 1.097 116 H CA 0.373 56.488 56.048 0.112 0.000 1.121 116 H CB 0.613 30.423 29.762 0.080 0.000 1.590 116 H HN 0.024 nan 8.280 nan 0.000 0.553 117 G N 1.200 110.111 108.800 0.185 0.000 2.650 117 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.686 117 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.686 117 G C 0.616 175.659 174.900 0.238 0.000 1.205 117 G CA -0.315 44.867 45.100 0.137 0.000 0.781 117 G HN 0.418 nan 8.290 nan 0.000 0.648 118 W N 0.743 122.226 121.300 0.305 0.000 2.519 118 W HA 0.021 4.680 4.660 -0.001 0.000 0.266 118 W C 1.437 178.208 176.519 0.420 0.000 1.253 118 W CA 1.652 59.243 57.345 0.411 0.000 1.274 118 W CB -0.534 29.147 29.460 0.368 0.000 1.114 118 W HN 0.707 nan 8.180 nan 0.000 0.596 119 D N 1.636 122.024 120.400 -0.021 0.000 2.117 119 D HA -0.291 4.348 4.640 -0.001 0.000 0.197 119 D C 1.557 177.958 176.300 0.168 0.000 0.987 119 D CA 1.684 55.706 54.000 0.036 0.000 0.829 119 D CB -1.213 39.432 40.800 -0.258 0.000 0.961 119 D HN 0.212 nan 8.370 nan 0.000 0.460 120 N N 0.231 119.017 118.700 0.143 0.000 2.166 120 N HA -0.131 4.609 4.740 -0.001 0.000 0.186 120 N C 1.515 177.165 175.510 0.233 0.000 1.019 120 N CA 2.143 55.298 53.050 0.175 0.000 0.856 120 N CB -0.191 38.411 38.487 0.192 0.000 0.993 120 N HN 0.131 nan 8.380 nan 0.000 0.426 121 T N 0.829 115.533 114.554 0.249 0.000 2.635 121 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 121 T C 1.856 176.697 174.700 0.235 0.000 1.040 121 T CA 1.381 63.573 62.100 0.154 0.000 1.156 121 T CB -0.439 68.401 68.868 -0.047 0.000 0.863 121 T HN 0.180 nan 8.240 nan 0.000 0.430 122 L N 0.094 121.529 121.223 0.354 0.000 2.017 122 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 122 L C 2.509 179.514 176.870 0.225 0.000 1.073 122 L CA 0.892 55.911 54.840 0.297 0.000 0.745 122 L CB -0.622 41.592 42.059 0.257 0.000 0.894 122 L HN 0.200 nan 8.230 nan 0.000 0.432 123 L N -0.506 120.831 121.223 0.190 0.000 1.989 123 L HA -0.252 4.088 4.340 -0.001 0.000 0.211 123 L C 2.718 179.674 176.870 0.143 0.000 1.071 123 L CA 1.846 56.769 54.840 0.139 0.000 0.749 123 L CB -0.590 41.538 42.059 0.116 0.000 0.890 123 L HN 0.246 nan 8.230 nan 0.000 0.431 124 Q N -0.774 119.132 119.800 0.177 0.000 2.046 124 Q HA -0.106 4.234 4.340 -0.001 0.000 0.200 124 Q C 2.256 178.365 176.000 0.180 0.000 0.975 124 Q CA 1.393 57.312 55.803 0.194 0.000 0.836 124 Q CB -0.600 28.322 28.738 0.307 0.000 0.896 124 Q HN 0.409 nan 8.270 nan 0.000 0.428 125 L N 1.353 122.681 121.223 0.175 0.000 2.376 125 L HA -0.069 4.270 4.340 -0.001 0.000 0.219 125 L C 2.329 179.313 176.870 0.189 0.000 1.133 125 L CA 1.345 56.248 54.840 0.105 0.000 0.816 125 L CB -0.867 41.147 42.059 -0.075 0.000 0.933 125 L HN 0.208 nan 8.230 nan 0.000 0.449 126 S N -1.322 114.502 115.700 0.207 0.000 2.442 126 S HA -0.191 4.278 4.470 -0.001 0.000 0.236 126 S C 1.680 176.298 174.600 0.030 0.000 1.007 126 S CA 0.736 59.002 58.200 0.110 0.000 0.965 126 S CB -0.276 62.958 63.200 0.056 0.000 0.773 126 S HN 0.477 nan 8.310 nan 0.000 0.504 127 Q N 1.097 120.914 119.800 0.029 0.000 2.425 127 Q HA 0.415 4.755 4.340 -0.001 0.000 0.204 127 Q C 0.824 176.780 176.000 -0.074 0.000 0.933 127 Q CA 0.536 56.342 55.803 0.004 0.000 0.939 127 Q CB -0.386 28.383 28.738 0.052 0.000 1.044 127 Q HN 0.731 nan 8.270 nan 0.000 0.513 128 A N 1.409 124.106 122.820 -0.204 0.000 2.511 128 A HA 0.057 4.377 4.320 -0.001 0.000 0.242 128 A C 0.743 178.043 177.584 -0.474 0.000 1.069 128 A CA 0.086 51.771 52.037 -0.586 0.000 0.763 128 A CB 0.305 18.614 19.000 -1.151 0.000 1.001 128 A HN 0.117 nan 8.150 nan 0.000 0.498 129 K N 1.055 121.227 120.400 -0.380 0.000 2.404 129 K HA 0.160 4.480 4.320 -0.001 0.000 0.194 129 K C -0.630 175.961 176.600 -0.015 0.000 1.023 129 K CA 0.230 56.456 56.287 -0.101 0.000 1.094 129 K CB -0.006 32.530 32.500 0.060 0.000 0.841 129 K HN 0.746 nan 8.250 nan 0.000 0.523 130 F N -0.149 119.834 119.950 0.055 0.000 2.523 130 F HA 0.585 5.111 4.527 -0.001 0.000 0.329 130 F C -2.762 173.069 175.800 0.051 0.000 1.061 130 F CA -3.933 54.105 58.000 0.063 0.000 0.967 130 F CB -0.164 38.882 39.000 0.077 0.000 1.218 130 F HN -0.302 nan 8.300 nan 0.000 0.480 131 P HA 0.340 nan 4.420 nan 0.000 0.271 131 P C -0.848 176.578 177.300 0.210 0.000 1.216 131 P CA 0.067 63.278 63.100 0.185 0.000 0.776 131 P CB 0.780 32.597 31.700 0.195 0.000 0.881 132 I N 2.440 123.116 120.570 0.177 0.000 2.466 132 I HA 0.341 4.510 4.170 -0.001 0.000 0.289 132 I C -0.262 175.936 176.117 0.135 0.000 1.026 132 I CA -1.121 60.222 61.300 0.073 0.000 1.078 132 I CB 2.032 39.945 38.000 -0.145 0.000 1.249 132 I HN 0.076 nan 8.210 nan 0.000 0.429 133 V N 3.046 122.958 119.914 -0.003 0.000 2.555 133 V HA 0.732 4.851 4.120 -0.001 0.000 0.302 133 V C -0.660 175.394 176.094 -0.066 0.000 1.038 133 V CA -0.410 61.907 62.300 0.028 0.000 0.887 133 V CB 1.743 33.572 31.823 0.011 0.000 0.991 133 V HN 0.786 nan 8.190 nan 0.000 0.434 134 Q N 2.730 122.532 119.800 0.003 0.000 2.536 134 Q HA 0.416 4.755 4.340 -0.001 0.000 0.231 134 Q C -0.156 175.823 176.000 -0.035 0.000 0.811 134 Q CA 0.450 56.230 55.803 -0.038 0.000 0.966 134 Q CB 1.541 30.207 28.738 -0.120 0.000 1.512 134 Q HN 1.186 nan 8.270 nan 0.000 0.456 135 G N 2.629 111.383 108.800 -0.077 0.000 3.651 135 G HA2 0.124 4.083 3.960 -0.001 0.000 0.279 135 G HA3 0.124 4.083 3.960 -0.001 0.000 0.279 135 G C 0.311 175.073 174.900 -0.230 0.000 1.024 135 G CA 0.097 45.125 45.100 -0.120 0.000 0.813 135 G HN 0.536 nan 8.290 nan 0.000 0.518 136 N N -0.072 118.413 118.700 -0.358 0.000 2.193 136 N HA 0.135 4.875 4.740 -0.001 0.000 0.236 136 N C -0.466 174.722 175.510 -0.537 0.000 1.347 136 N CA -0.282 52.471 53.050 -0.496 0.000 0.812 136 N CB 0.018 38.445 38.487 -0.100 0.000 1.297 136 N HN 0.150 nan 8.380 nan 0.000 0.499 137 I N 1.302 121.463 120.570 -0.682 0.000 2.359 137 I HA 0.448 4.617 4.170 -0.001 0.000 0.294 137 I C -0.811 174.817 176.117 -0.816 0.000 0.987 137 I CA -0.625 60.285 61.300 -0.649 0.000 1.225 137 I CB 0.674 38.353 38.000 -0.535 0.000 1.366 137 I HN -0.184 nan 8.210 nan 0.000 0.466 138 F N 3.952 123.690 119.950 -0.354 0.000 2.603 138 F HA 0.440 4.966 4.527 -0.001 0.000 0.317 138 F C -0.455 175.133 175.800 -0.353 0.000 1.066 138 F CA -0.830 57.023 58.000 -0.245 0.000 0.941 138 F CB 1.114 40.026 39.000 -0.146 0.000 1.291 138 F HN 0.177 nan 8.300 nan 0.000 0.472 139 Y N 1.553 121.902 120.300 0.082 0.000 2.526 139 Y HA 0.113 4.662 4.550 -0.001 0.000 0.330 139 Y C 0.650 176.550 175.900 0.001 0.000 1.156 139 Y CA -0.131 57.954 58.100 -0.025 0.000 1.419 139 Y CB 0.166 38.614 38.460 -0.021 0.000 1.250 139 Y HN 0.395 nan 8.280 nan 0.000 0.540 140 Q N 2.566 122.410 119.800 0.074 0.000 2.349 140 Q HA -0.082 4.257 4.340 -0.001 0.000 0.287 140 Q C 0.140 176.181 176.000 0.068 0.000 1.044 140 Q CA 0.432 56.263 55.803 0.046 0.000 0.918 140 Q CB -0.011 28.741 28.738 0.024 0.000 1.242 140 Q HN 0.781 nan 8.270 nan 0.000 0.405 141 N N -0.136 118.584 118.700 0.034 0.000 2.725 141 N HA -0.200 4.540 4.740 -0.001 0.000 0.249 141 N C -1.175 174.356 175.510 0.035 0.000 1.103 141 N CA 0.852 53.917 53.050 0.026 0.000 0.707 141 N CB -0.574 37.930 38.487 0.029 0.000 1.043 141 N HN 0.431 nan 8.380 nan 0.000 0.553 142 S N -1.616 114.111 115.700 0.045 0.000 2.550 142 S HA 0.579 5.048 4.470 -0.001 0.000 0.270 142 S C 0.569 175.199 174.600 0.049 0.000 1.145 142 S CA -0.093 58.145 58.200 0.065 0.000 0.852 142 S CB 1.296 64.572 63.200 0.125 0.000 1.119 142 S HN 0.298 nan 8.310 nan 0.000 0.465 143 S N 1.812 117.544 115.700 0.053 0.000 2.575 143 S HA 0.234 4.703 4.470 -0.001 0.000 0.215 143 S C 0.477 175.212 174.600 0.225 0.000 0.966 143 S CA -0.140 58.088 58.200 0.046 0.000 0.911 143 S CB -0.311 62.913 63.200 0.039 0.000 0.780 143 S HN 0.636 nan 8.310 nan 0.000 0.514 144 K N 2.345 122.898 120.400 0.255 0.000 2.379 144 K HA 0.211 4.531 4.320 -0.001 0.000 0.284 144 K C -0.142 176.726 176.600 0.447 0.000 1.044 144 K CA -0.103 56.359 56.287 0.292 0.000 0.974 144 K CB 0.522 33.136 32.500 0.189 0.000 0.962 144 K HN 0.182 nan 8.250 nan 0.000 0.474 145 S N 3.751 119.602 115.700 0.253 0.000 2.564 145 S HA 0.037 4.506 4.470 -0.001 0.000 0.278 145 S C 0.845 175.478 174.600 0.054 0.000 1.333 145 S CA -0.622 57.556 58.200 -0.038 0.000 1.048 145 S CB 0.268 63.375 63.200 -0.156 0.000 0.900 145 S HN 0.602 nan 8.310 nan 0.000 0.505 146 F N 5.922 125.704 119.950 -0.280 0.000 2.084 146 F HA 0.163 4.689 4.527 -0.001 0.000 0.296 146 F C 0.895 176.724 175.800 0.047 0.000 1.111 146 F CA 0.915 58.774 58.000 -0.234 0.000 1.224 146 F CB -0.082 38.676 39.000 -0.404 0.000 0.991 146 F HN 0.616 nan 8.300 nan 0.000 0.471 147 W N 1.787 122.910 121.300 -0.295 0.000 2.485 147 W HA 0.183 4.843 4.660 -0.001 0.000 0.364 147 W C 0.102 176.480 176.519 -0.235 0.000 1.171 147 W CA -0.245 56.905 57.345 -0.326 0.000 1.304 147 W CB 1.051 30.411 29.460 -0.167 0.000 1.335 147 W HN 0.150 nan 8.180 nan 0.000 0.643 148 D N 1.046 120.917 120.400 -0.882 0.000 2.363 148 D HA 0.088 4.727 4.640 -0.001 0.000 0.214 148 D C -0.244 175.833 176.300 -0.372 0.000 1.093 148 D CA 0.166 53.837 54.000 -0.547 0.000 0.837 148 D CB 0.255 40.701 40.800 -0.589 0.000 0.948 148 D HN 0.142 nan 8.370 nan 0.000 0.507 149 K N 1.014 121.276 120.400 -0.230 0.000 2.716 149 K HA 0.216 4.536 4.320 -0.001 0.000 0.249 149 K C -2.412 174.142 176.600 -0.076 0.000 1.004 149 K CA -1.468 54.739 56.287 -0.133 0.000 0.968 149 K CB 2.496 34.977 32.500 -0.031 0.000 1.214 149 K HN -0.300 nan 8.250 nan 0.000 0.476 150 P HA -0.034 nan 4.420 nan 0.000 0.224 150 P C -0.529 176.582 177.300 -0.314 0.000 1.157 150 P CA 0.793 63.660 63.100 -0.388 0.000 0.799 150 P CB 0.049 31.329 31.700 -0.700 0.000 0.809 151 Y N -4.327 115.809 120.300 -0.273 0.000 2.689 151 Y HA 0.802 5.352 4.550 -0.001 0.000 0.333 151 Y C -0.975 174.878 175.900 -0.079 0.000 1.208 151 Y CA -1.253 56.737 58.100 -0.183 0.000 1.055 151 Y CB 0.376 38.702 38.460 -0.223 0.000 1.304 151 Y HN -0.305 nan 8.280 nan 0.000 0.455 152 T N 1.120 115.806 114.554 0.218 0.000 2.853 152 T HA 0.681 5.031 4.350 -0.001 0.000 0.311 152 T C -1.884 172.937 174.700 0.202 0.000 1.307 152 T CA -0.683 61.514 62.100 0.162 0.000 1.019 152 T CB 1.184 70.113 68.868 0.102 0.000 1.264 152 T HN 0.699 nan 8.240 nan 0.000 0.497 153 I N 3.433 124.112 120.570 0.182 0.000 2.354 153 I HA 0.510 4.680 4.170 -0.001 0.000 0.292 153 I C -0.615 175.622 176.117 0.201 0.000 0.989 153 I CA -0.751 60.652 61.300 0.170 0.000 1.188 153 I CB 1.556 39.646 38.000 0.149 0.000 1.342 153 I HN 0.480 nan 8.210 nan 0.000 0.457 154 I N 6.089 126.827 120.570 0.279 0.000 2.382 154 I HA 0.273 4.442 4.170 -0.001 0.000 0.285 154 I C -0.110 176.297 176.117 0.484 0.000 1.007 154 I CA -0.341 61.188 61.300 0.383 0.000 1.142 154 I CB 1.540 39.861 38.000 0.534 0.000 1.289 154 I HN 0.591 nan 8.210 nan 0.000 0.453 155 E N 7.422 127.802 120.200 0.301 0.000 2.175 155 E HA 0.482 4.831 4.350 -0.001 0.000 0.278 155 E C -1.173 175.521 176.600 0.156 0.000 0.969 155 E CA -0.691 55.873 56.400 0.274 0.000 0.796 155 E CB 1.130 30.930 29.700 0.167 0.000 1.104 155 E HN 0.434 nan 8.360 nan 0.000 0.395 156 K N 3.536 124.029 120.400 0.156 0.000 2.535 156 K HA 0.151 4.470 4.320 -0.001 0.000 0.250 156 K C -1.207 175.395 176.600 0.003 0.000 0.948 156 K CA -0.823 55.390 56.287 -0.124 0.000 0.796 156 K CB 1.532 33.614 32.500 -0.697 0.000 1.216 156 K HN 0.622 nan 8.250 nan 0.000 0.432 157 D N 1.797 122.190 120.400 -0.012 0.000 2.708 157 D HA -0.200 4.439 4.640 -0.001 0.000 0.236 157 D C 0.758 177.114 176.300 0.094 0.000 1.146 157 D CA 2.087 56.107 54.000 0.033 0.000 0.662 157 D CB -0.945 39.867 40.800 0.020 0.000 1.059 157 D HN 1.015 nan 8.370 nan 0.000 0.428 158 G N -2.120 106.740 108.800 0.100 0.000 2.184 158 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.264 158 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.264 158 G C 0.363 175.359 174.900 0.161 0.000 0.975 158 G CA 0.326 45.497 45.100 0.119 0.000 0.642 158 G HN 0.943 nan 8.290 nan 0.000 0.536 159 V N 0.952 120.993 119.914 0.212 0.000 2.398 159 V HA 0.497 4.616 4.120 -0.001 0.000 0.286 159 V C 0.307 176.547 176.094 0.243 0.000 1.026 159 V CA -0.689 61.737 62.300 0.210 0.000 0.868 159 V CB 1.677 33.653 31.823 0.255 0.000 0.982 159 V HN 0.281 nan 8.190 nan 0.000 0.443 160 K N 5.636 126.098 120.400 0.103 0.000 2.240 160 K HA 0.645 4.964 4.320 -0.001 0.000 0.271 160 K C -0.975 175.604 176.600 -0.033 0.000 1.018 160 K CA -0.326 56.023 56.287 0.104 0.000 0.874 160 K CB 1.727 34.271 32.500 0.073 0.000 1.098 160 K HN 0.543 nan 8.250 nan 0.000 0.458 161 I N 2.090 122.651 120.570 -0.015 0.000 2.362 161 I HA 0.237 4.406 4.170 -0.001 0.000 0.289 161 I C 0.523 176.611 176.117 -0.049 0.000 0.994 161 I CA -0.783 60.401 61.300 -0.193 0.000 1.158 161 I CB 1.888 39.556 38.000 -0.553 0.000 1.315 161 I HN 0.658 nan 8.210 nan 0.000 0.451 162 G N 5.838 114.596 108.800 -0.071 0.000 2.353 162 G HA2 0.516 4.475 3.960 -0.001 0.000 0.284 162 G HA3 0.516 4.475 3.960 -0.001 0.000 0.284 162 G C -0.618 174.223 174.900 -0.100 0.000 1.172 162 G CA -0.192 44.888 45.100 -0.033 0.000 0.854 162 G HN 0.361 nan 8.290 nan 0.000 0.485 163 V N 3.996 123.870 119.914 -0.067 0.000 2.444 163 V HA 0.419 4.538 4.120 -0.001 0.000 0.294 163 V C -0.073 175.978 176.094 -0.071 0.000 1.022 163 V CA -0.599 61.587 62.300 -0.189 0.000 0.850 163 V CB 1.364 32.995 31.823 -0.319 0.000 0.992 163 V HN 0.641 nan 8.190 nan 0.000 0.426 164 I N 3.276 123.794 120.570 -0.086 0.000 2.460 164 I HA 0.745 4.915 4.170 -0.001 0.000 0.298 164 I C 0.752 176.852 176.117 -0.029 0.000 0.989 164 I CA -0.298 60.997 61.300 -0.008 0.000 1.173 164 I CB 1.990 40.018 38.000 0.048 0.000 1.338 164 I HN 0.722 nan 8.210 nan 0.000 0.456 165 G N 6.373 115.166 108.800 -0.011 0.000 2.470 165 G HA2 0.796 4.756 3.960 -0.001 0.000 0.320 165 G HA3 0.796 4.756 3.960 -0.001 0.000 0.320 165 G C -1.130 173.795 174.900 0.041 0.000 1.245 165 G CA -0.372 44.723 45.100 -0.009 0.000 0.935 165 G HN 0.429 nan 8.290 nan 0.000 0.476 166 L N 1.455 122.715 121.223 0.061 0.000 2.465 166 L HA 0.475 4.814 4.340 -0.001 0.000 0.257 166 L C -1.139 175.797 176.870 0.111 0.000 0.988 166 L CA -1.145 53.757 54.840 0.104 0.000 0.827 166 L CB 3.080 45.225 42.059 0.143 0.000 1.397 166 L HN 0.503 nan 8.230 nan 0.000 0.410 167 H N 0.704 119.802 119.070 0.047 0.000 2.529 167 H HA 0.439 4.994 4.556 -0.001 0.000 0.348 167 H C -0.352 175.013 175.328 0.061 0.000 1.079 167 H CA -0.402 55.690 56.048 0.073 0.000 1.198 167 H CB 2.235 32.038 29.762 0.068 0.000 1.521 167 H HN 0.754 nan 8.280 nan 0.000 0.514 168 G N 2.647 111.526 108.800 0.132 0.000 2.441 168 G HA2 0.189 4.149 3.960 -0.001 0.000 0.243 168 G HA3 0.189 4.149 3.960 -0.001 0.000 0.243 168 G C 0.982 176.055 174.900 0.289 0.000 1.281 168 G CA -0.313 44.895 45.100 0.180 0.000 0.854 168 G HN 0.526 nan 8.290 nan 0.000 0.560 169 V N 2.810 122.847 119.914 0.205 0.000 2.307 169 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 169 V C 2.263 178.476 176.094 0.198 0.000 1.045 169 V CA 1.970 64.368 62.300 0.164 0.000 1.024 169 V CB -0.928 30.969 31.823 0.123 0.000 0.651 169 V HN 0.731 nan 8.190 nan 0.000 0.449 170 F N 1.721 121.734 119.950 0.103 0.000 2.069 170 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 170 F C 2.294 178.163 175.800 0.116 0.000 1.113 170 F CA 1.740 59.794 58.000 0.091 0.000 1.214 170 F CB -0.641 38.400 39.000 0.069 0.000 0.978 170 F HN 0.069 nan 8.300 nan 0.000 0.474 171 A N -0.263 122.585 122.820 0.047 0.000 1.933 171 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 171 A C 2.187 179.769 177.584 -0.003 0.000 1.175 171 A CA 1.586 53.584 52.037 -0.065 0.000 0.628 171 A CB -1.612 17.270 19.000 -0.197 0.000 0.814 171 A HN 0.557 nan 8.150 nan 0.000 0.444 172 F N 1.310 121.241 119.950 -0.032 0.000 2.102 172 F HA -0.181 4.345 4.527 -0.001 0.000 0.298 172 F C 2.076 177.713 175.800 -0.272 0.000 1.105 172 F CA 2.052 59.882 58.000 -0.284 0.000 1.239 172 F CB -0.125 38.612 39.000 -0.438 0.000 0.991 172 F HN 0.211 nan 8.300 nan 0.000 0.474 173 N N 0.274 118.956 118.700 -0.030 0.000 2.244 173 N HA -0.171 4.568 4.740 -0.001 0.000 0.183 173 N C 1.409 176.770 175.510 -0.248 0.000 1.016 173 N CA 1.496 54.472 53.050 -0.122 0.000 0.866 173 N CB -0.610 37.841 38.487 -0.061 0.000 0.980 173 N HN 0.381 nan 8.380 nan 0.000 0.430 174 D N -0.462 119.719 120.400 -0.365 0.000 2.149 174 D HA -0.043 4.596 4.640 -0.001 0.000 0.201 174 D C 1.618 177.862 176.300 -0.093 0.000 0.972 174 D CA 1.336 55.127 54.000 -0.349 0.000 0.835 174 D CB 0.113 40.501 40.800 -0.687 0.000 0.966 174 D HN 0.377 nan 8.370 nan 0.000 0.476 175 T N -3.279 111.226 114.554 -0.082 0.000 2.975 175 T HA 0.248 4.597 4.350 -0.001 0.000 0.261 175 T C 0.451 175.114 174.700 -0.061 0.000 0.984 175 T CA -0.375 61.760 62.100 0.057 0.000 0.911 175 T CB 0.059 69.001 68.868 0.123 0.000 1.127 175 T HN -0.177 nan 8.240 nan 0.000 0.514 176 V N 4.384 124.115 119.914 -0.306 0.000 2.488 176 V HA 0.464 4.583 4.120 -0.001 0.000 0.277 176 V C 0.845 176.838 176.094 -0.169 0.000 1.046 176 V CA -0.737 61.313 62.300 -0.417 0.000 0.986 176 V CB 0.778 31.959 31.823 -1.070 0.000 0.989 176 V HN 0.711 nan 8.190 nan 0.000 0.475 177 S N 4.594 120.303 115.700 0.015 0.000 2.549 177 S HA 0.269 4.738 4.470 -0.001 0.000 0.286 177 S C 1.407 175.982 174.600 -0.042 0.000 1.314 177 S CA 0.017 58.289 58.200 0.120 0.000 1.062 177 S CB 1.305 64.632 63.200 0.213 0.000 0.865 177 S HN 1.093 nan 8.310 nan 0.000 0.498 178 A N 3.927 126.695 122.820 -0.086 0.000 1.917 178 A HA 0.031 4.351 4.320 -0.001 0.000 0.219 178 A C 2.406 179.987 177.584 -0.005 0.000 1.182 178 A CA 1.904 53.898 52.037 -0.071 0.000 0.633 178 A CB -1.588 17.361 19.000 -0.085 0.000 0.819 178 A HN 1.536 nan 8.150 nan 0.000 0.448 179 A N -0.706 122.124 122.820 0.016 0.000 2.121 179 A HA 0.010 4.330 4.320 -0.001 0.000 0.218 179 A C 2.126 179.754 177.584 0.073 0.000 1.154 179 A CA 2.091 54.157 52.037 0.049 0.000 0.679 179 A CB -0.908 18.123 19.000 0.053 0.000 0.795 179 A HN 0.836 nan 8.150 nan 0.000 0.458 180 T N -3.125 111.474 114.554 0.074 0.000 3.069 180 T HA 0.193 4.543 4.350 -0.001 0.000 0.252 180 T C 0.913 175.757 174.700 0.240 0.000 1.053 180 T CA 0.360 62.537 62.100 0.127 0.000 0.964 180 T CB 0.005 68.943 68.868 0.117 0.000 1.005 180 T HN 0.526 nan 8.240 nan 0.000 0.532 181 R N 0.289 120.888 120.500 0.165 0.000 2.659 181 R HA 0.518 4.858 4.340 -0.001 0.000 0.418 181 R C -0.688 175.732 176.300 0.200 0.000 1.076 181 R CA -0.587 55.612 56.100 0.166 0.000 1.093 181 R CB -1.114 29.112 30.300 -0.124 0.000 1.400 181 R HN 0.178 nan 8.270 nan 0.000 0.583 182 V N 1.725 121.831 119.914 0.321 0.000 2.450 182 V HA 0.355 4.475 4.120 -0.001 0.000 0.281 182 V C 1.476 177.770 176.094 0.334 0.000 1.019 182 V CA 1.235 63.694 62.300 0.266 0.000 1.062 182 V CB 0.410 32.373 31.823 0.234 0.000 0.979 182 V HN 0.835 nan 8.190 nan 0.000 0.477 183 G N 4.501 113.392 108.800 0.153 0.000 2.175 183 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.244 183 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.244 183 G C 0.017 174.871 174.900 -0.077 0.000 0.982 183 G CA 0.204 45.370 45.100 0.109 0.000 0.641 183 G HN 1.000 nan 8.290 nan 0.000 0.527 184 I N -2.333 118.091 120.570 -0.243 0.000 3.108 184 I HA 1.002 5.172 4.170 -0.001 0.000 0.312 184 I C -0.469 175.451 176.117 -0.330 0.000 1.095 184 I CA -1.029 59.995 61.300 -0.460 0.000 1.000 184 I CB 2.290 39.747 38.000 -0.905 0.000 1.229 184 I HN 0.352 nan 8.210 nan 0.000 0.454 185 E N 2.498 122.417 120.200 -0.467 0.000 2.401 185 E HA 0.669 5.018 4.350 -0.001 0.000 0.280 185 E C -1.835 174.322 176.600 -0.738 0.000 1.039 185 E CA -1.245 54.835 56.400 -0.535 0.000 0.814 185 E CB 1.656 31.224 29.700 -0.220 0.000 1.275 185 E HN 0.904 nan 8.360 nan 0.000 0.448 186 A N 1.712 123.975 122.820 -0.929 0.000 2.316 186 A HA 0.685 5.004 4.320 -0.001 0.000 0.284 186 A C -0.328 177.168 177.584 -0.148 0.000 1.115 186 A CA -0.533 51.153 52.037 -0.584 0.000 0.812 186 A CB 0.610 19.254 19.000 -0.595 0.000 1.064 186 A HN 0.545 nan 8.150 nan 0.000 0.489 187 R N 0.687 121.229 120.500 0.069 0.000 2.803 187 R HA 0.266 4.606 4.340 -0.001 0.000 0.276 187 R C -1.102 175.390 176.300 0.321 0.000 0.978 187 R CA -1.041 55.182 56.100 0.206 0.000 0.939 187 R CB 1.240 31.718 30.300 0.297 0.000 1.179 187 R HN 0.837 nan 8.270 nan 0.000 0.472 188 D N 3.412 123.958 120.400 0.243 0.000 6.342 188 D HA -0.161 4.478 4.640 -0.001 0.000 0.190 188 D C 1.172 177.633 176.300 0.268 0.000 1.340 188 D CA 0.620 54.732 54.000 0.186 0.000 0.816 188 D CB 0.554 41.394 40.800 0.066 0.000 1.452 188 D HN 0.553 nan 8.370 nan 0.000 0.840 189 E N 4.064 124.393 120.200 0.214 0.000 2.204 189 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 189 E C 1.764 178.462 176.600 0.163 0.000 0.990 189 E CA 0.564 57.098 56.400 0.223 0.000 0.821 189 E CB -0.061 29.735 29.700 0.161 0.000 0.750 189 E HN 0.500 nan 8.360 nan 0.000 0.477 190 I N 1.942 122.563 120.570 0.084 0.000 2.286 190 I HA -0.152 4.017 4.170 -0.001 0.000 0.245 190 I C 2.623 178.718 176.117 -0.038 0.000 1.104 190 I CA 1.019 62.333 61.300 0.023 0.000 1.397 190 I CB -1.176 36.823 38.000 -0.001 0.000 1.072 190 I HN 0.170 nan 8.210 nan 0.000 0.417 191 K N 0.523 120.863 120.400 -0.100 0.000 2.044 191 K HA -0.235 4.084 4.320 -0.001 0.000 0.210 191 K C 2.288 178.657 176.600 -0.386 0.000 1.049 191 K CA 2.050 58.163 56.287 -0.290 0.000 0.927 191 K CB -0.318 31.923 32.500 -0.431 0.000 0.713 191 K HN 0.251 nan 8.250 nan 0.000 0.443 192 W N 0.911 122.140 121.300 -0.118 0.000 2.409 192 W HA -0.117 4.542 4.660 -0.001 0.000 0.299 192 W C 2.113 178.459 176.519 -0.289 0.000 1.203 192 W CA 0.077 57.256 57.345 -0.277 0.000 1.298 192 W CB -0.389 29.020 29.460 -0.084 0.000 1.127 192 W HN 0.175 nan 8.180 nan 0.000 0.528 193 L N 0.910 122.218 121.223 0.141 0.000 2.012 193 L HA -0.270 4.069 4.340 -0.001 0.000 0.210 193 L C 2.439 179.329 176.870 0.032 0.000 1.073 193 L CA 2.257 57.178 54.840 0.135 0.000 0.748 193 L CB -1.376 40.743 42.059 0.100 0.000 0.891 193 L HN 0.021 nan 8.230 nan 0.000 0.431 194 Q N -0.271 119.502 119.800 -0.046 0.000 2.124 194 Q HA -0.235 4.104 4.340 -0.001 0.000 0.202 194 Q C 2.474 178.414 176.000 -0.101 0.000 0.977 194 Q CA 1.990 57.747 55.803 -0.076 0.000 0.850 194 Q CB -0.308 28.371 28.738 -0.098 0.000 0.901 194 Q HN 0.530 nan 8.270 nan 0.000 0.429 195 R N -1.347 119.040 120.500 -0.189 0.000 2.083 195 R HA -0.201 4.139 4.340 -0.001 0.000 0.237 195 R C 1.732 178.000 176.300 -0.052 0.000 1.137 195 R CA 1.802 57.782 56.100 -0.200 0.000 0.951 195 R CB -0.338 29.732 30.300 -0.384 0.000 0.851 195 R HN 0.329 nan 8.270 nan 0.000 0.434 196 Y N 0.446 120.795 120.300 0.082 0.000 2.263 196 Y HA -0.057 4.492 4.550 -0.001 0.000 0.292 196 Y C 2.127 177.920 175.900 -0.179 0.000 1.130 196 Y CA 0.626 58.708 58.100 -0.031 0.000 1.179 196 Y CB -0.433 38.062 38.460 0.060 0.000 0.998 196 Y HN 0.041 nan 8.280 nan 0.000 0.532 197 I N 0.093 120.684 120.570 0.036 0.000 2.151 197 I HA -0.344 3.825 4.170 -0.001 0.000 0.243 197 I C 1.896 177.976 176.117 -0.062 0.000 1.080 197 I CA 1.721 62.995 61.300 -0.044 0.000 1.339 197 I CB -0.340 37.631 38.000 -0.049 0.000 1.039 197 I HN 0.135 nan 8.210 nan 0.000 0.409 198 D N 0.639 121.013 120.400 -0.043 0.000 2.117 198 D HA -0.179 4.461 4.640 -0.001 0.000 0.197 198 D C 2.120 178.412 176.300 -0.012 0.000 0.987 198 D CA 1.221 55.200 54.000 -0.036 0.000 0.829 198 D CB -0.266 40.513 40.800 -0.036 0.000 0.961 198 D HN 0.423 nan 8.370 nan 0.000 0.460 199 E N -0.188 120.015 120.200 0.006 0.000 2.204 199 E HA -0.055 4.294 4.350 -0.001 0.000 0.194 199 E C 2.041 178.628 176.600 -0.022 0.000 0.989 199 E CA 0.368 56.788 56.400 0.034 0.000 0.824 199 E CB 0.067 29.848 29.700 0.135 0.000 0.756 199 E HN 0.275 nan 8.360 nan 0.000 0.477 200 L N 0.534 121.692 121.223 -0.108 0.000 2.375 200 L HA -0.007 4.333 4.340 -0.001 0.000 0.215 200 L C 2.370 179.253 176.870 0.022 0.000 1.108 200 L CA 0.249 55.034 54.840 -0.091 0.000 0.830 200 L CB -0.084 41.864 42.059 -0.186 0.000 0.959 200 L HN 0.014 nan 8.230 nan 0.000 0.457 201 K N 0.846 121.259 120.400 0.023 0.000 2.052 201 K HA -0.223 4.096 4.320 -0.001 0.000 0.215 201 K C 1.639 178.352 176.600 0.188 0.000 1.053 201 K CA 1.852 58.188 56.287 0.081 0.000 0.934 201 K CB -0.304 32.188 32.500 -0.014 0.000 0.717 201 K HN 0.385 nan 8.250 nan 0.000 0.450 202 G N -0.133 108.732 108.800 0.107 0.000 3.141 202 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.218 202 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.218 202 G C 0.719 175.671 174.900 0.086 0.000 1.170 202 G CA -0.175 44.985 45.100 0.101 0.000 0.769 202 G HN 0.290 nan 8.290 nan 0.000 0.546 203 K N -0.222 120.228 120.400 0.083 0.000 2.380 203 K HA 0.270 4.590 4.320 -0.001 0.000 0.198 203 K C 0.207 176.842 176.600 0.058 0.000 1.070 203 K CA 0.107 56.437 56.287 0.071 0.000 1.040 203 K CB 1.446 33.991 32.500 0.075 0.000 0.903 203 K HN 0.287 nan 8.250 nan 0.000 0.549 204 V N -2.623 117.316 119.914 0.043 0.000 3.130 204 V HA 0.341 4.460 4.120 -0.001 0.000 0.310 204 V C -0.161 175.857 176.094 -0.126 0.000 1.158 204 V CA -0.898 61.393 62.300 -0.015 0.000 1.029 204 V CB 2.262 34.075 31.823 -0.016 0.000 1.057 204 V HN -0.122 nan 8.190 nan 0.000 0.436 205 D N 0.736 121.025 120.400 -0.186 0.000 2.183 205 D HA 0.244 4.884 4.640 -0.001 0.000 0.205 205 D C 0.187 176.171 176.300 -0.526 0.000 0.962 205 D CA 1.424 55.235 54.000 -0.315 0.000 0.849 205 D CB 0.625 41.212 40.800 -0.356 0.000 0.978 205 D HN 0.418 nan 8.370 nan 0.000 0.488 206 L N -0.084 120.895 121.223 -0.406 0.000 2.445 206 L HA 0.296 4.635 4.340 -0.001 0.000 0.262 206 L C -0.787 175.999 176.870 -0.140 0.000 0.974 206 L CA -0.469 54.190 54.840 -0.302 0.000 0.822 206 L CB 2.778 44.577 42.059 -0.434 0.000 1.339 206 L HN -0.341 nan 8.230 nan 0.000 0.409 207 T N 1.909 116.470 114.554 0.011 0.000 2.770 207 T HA 0.606 4.955 4.350 -0.001 0.000 0.283 207 T C -0.480 174.163 174.700 -0.095 0.000 0.988 207 T CA -0.415 61.672 62.100 -0.022 0.000 0.957 207 T CB 1.816 70.712 68.868 0.047 0.000 0.930 207 T HN 0.165 nan 8.240 nan 0.000 0.443 208 V N 2.433 122.244 119.914 -0.172 0.000 2.555 208 V HA 0.845 4.965 4.120 -0.001 0.000 0.302 208 V C -0.120 175.850 176.094 -0.206 0.000 1.038 208 V CA -0.956 61.210 62.300 -0.223 0.000 0.887 208 V CB 1.772 33.368 31.823 -0.378 0.000 0.991 208 V HN 1.050 nan 8.190 nan 0.000 0.434 209 A N 5.342 128.069 122.820 -0.155 0.000 2.331 209 A HA 0.864 5.183 4.320 -0.001 0.000 0.320 209 A C -0.886 176.622 177.584 -0.127 0.000 1.138 209 A CA -0.565 51.405 52.037 -0.112 0.000 0.790 209 A CB 0.864 19.844 19.000 -0.034 0.000 1.206 209 A HN 0.805 nan 8.150 nan 0.000 0.470 210 L N 3.798 124.950 121.223 -0.120 0.000 2.264 210 L HA 0.490 4.829 4.340 -0.001 0.000 0.287 210 L C -0.840 176.017 176.870 -0.021 0.000 1.039 210 L CA 0.027 54.818 54.840 -0.081 0.000 0.829 210 L CB 0.382 42.385 42.059 -0.093 0.000 1.211 210 L HN 0.546 nan 8.230 nan 0.000 0.427 211 I N 2.056 122.620 120.570 -0.011 0.000 2.436 211 I HA 0.245 4.415 4.170 -0.001 0.000 0.289 211 I C -0.618 175.493 176.117 -0.010 0.000 1.010 211 I CA -0.652 60.650 61.300 0.002 0.000 1.098 211 I CB 1.980 39.978 38.000 -0.002 0.000 1.266 211 I HN 0.507 nan 8.210 nan 0.000 0.434 212 H N 6.439 125.416 119.070 -0.155 0.000 2.641 212 H HA 0.413 4.969 4.556 -0.001 0.000 0.295 212 H C -0.845 174.234 175.328 -0.414 0.000 1.070 212 H CA -0.133 55.753 56.048 -0.269 0.000 1.257 212 H CB 0.613 30.126 29.762 -0.415 0.000 1.393 212 H HN 0.707 nan 8.280 nan 0.000 0.464 213 E N 3.114 123.121 120.200 -0.322 0.000 2.416 213 E HA 0.590 4.939 4.350 -0.001 0.000 0.280 213 E C -0.406 176.207 176.600 0.022 0.000 1.055 213 E CA -0.844 55.464 56.400 -0.153 0.000 0.825 213 E CB 1.505 31.185 29.700 -0.034 0.000 1.312 213 E HN 0.741 nan 8.360 nan 0.000 0.452 214 G N -0.134 108.762 108.800 0.159 0.000 2.418 214 G HA2 0.017 3.976 3.960 -0.001 0.000 0.206 214 G HA3 0.017 3.976 3.960 -0.001 0.000 0.206 214 G C -0.452 174.699 174.900 0.417 0.000 1.202 214 G CA -0.317 44.925 45.100 0.237 0.000 1.061 214 G HN 1.460 nan 8.290 nan 0.000 0.563 215 V N -0.664 119.425 119.914 0.292 0.000 2.617 215 V HA 0.802 4.921 4.120 -0.001 0.000 0.298 215 V C -1.808 174.327 176.094 0.069 0.000 1.048 215 V CA -1.275 61.182 62.300 0.262 0.000 0.964 215 V CB 1.417 33.325 31.823 0.141 0.000 1.004 215 V HN 0.880 nan 8.190 nan 0.000 0.466 216 P HA 0.298 nan 4.420 nan 0.000 0.274 216 P C -0.164 176.941 177.300 -0.326 0.000 1.246 216 P CA -0.054 62.821 63.100 -0.375 0.000 0.795 216 P CB 0.713 32.369 31.700 -0.073 0.000 1.006 217 A N 2.296 124.794 122.820 -0.537 0.000 2.498 217 A HA 0.112 4.432 4.320 -0.001 0.000 0.239 217 A C 0.744 177.944 177.584 -0.640 0.000 1.068 217 A CA -0.336 51.333 52.037 -0.613 0.000 0.766 217 A CB -0.277 17.991 19.000 -1.219 0.000 1.003 217 A HN 0.641 nan 8.150 nan 0.000 0.497 218 R N 2.106 122.205 120.500 -0.668 0.000 2.522 218 R HA 0.071 4.411 4.340 -0.001 0.000 0.284 218 R C -0.986 174.900 176.300 -0.691 0.000 1.032 218 R CA 0.182 55.625 56.100 -1.096 0.000 1.049 218 R CB 0.330 30.277 30.300 -0.587 0.000 0.956 218 R HN 0.662 nan 8.270 nan 0.000 0.422 219 Q N 2.769 122.153 119.800 -0.693 0.000 2.431 219 Q HA 0.251 4.590 4.340 -0.001 0.000 0.249 219 Q C -1.119 174.896 176.000 0.024 0.000 1.025 219 Q CA -0.163 55.555 55.803 -0.140 0.000 0.835 219 Q CB 1.764 30.519 28.738 0.028 0.000 1.207 219 Q HN 0.674 nan 8.270 nan 0.000 0.490 220 S N 0.905 116.622 115.700 0.028 0.000 2.550 220 S HA 0.627 5.096 4.470 -0.001 0.000 0.270 220 S C -0.607 174.068 174.600 0.124 0.000 1.145 220 S CA -0.374 57.875 58.200 0.081 0.000 0.852 220 S CB 1.317 64.543 63.200 0.044 0.000 1.119 220 S HN 0.382 nan 8.310 nan 0.000 0.465 227 V N 2.210 122.178 119.914 0.090 0.000 3.419 227 V HA -0.218 3.901 4.120 -0.001 0.000 0.488 227 V C 0.463 176.584 176.094 0.045 0.000 0.682 227 V CA 0.281 62.651 62.300 0.117 0.000 2.031 227 V CB -0.472 31.517 31.823 0.278 0.000 2.473 227 V HN 0.608 nan 8.190 nan 0.000 0.503 228 R N 4.066 124.586 120.500 0.033 0.000 2.522 228 R HA 0.350 4.689 4.340 -0.001 0.000 0.284 228 R C 0.056 176.357 176.300 0.002 0.000 1.032 228 R CA 0.080 56.182 56.100 0.004 0.000 1.049 228 R CB 0.572 30.877 30.300 0.009 0.000 0.956 228 R HN 0.609 nan 8.270 nan 0.000 0.422 229 R N 1.232 121.718 120.500 -0.024 0.000 2.621 229 R HA 0.696 5.036 4.340 -0.001 0.000 0.292 229 R C -0.791 175.501 176.300 -0.014 0.000 0.969 229 R CA -0.860 55.225 56.100 -0.025 0.000 0.887 229 R CB 2.000 32.263 30.300 -0.062 0.000 1.180 229 R HN 0.748 nan 8.270 nan 0.000 0.450 230 A N 1.676 124.495 122.820 -0.002 0.000 2.533 230 A HA 0.637 4.956 4.320 -0.001 0.000 0.293 230 A C -0.758 176.834 177.584 0.012 0.000 1.228 230 A CA -0.616 51.424 52.037 0.005 0.000 0.689 230 A CB 1.043 20.044 19.000 0.002 0.000 1.303 230 A HN 0.532 nan 8.150 nan 0.000 0.444 231 L N 1.012 122.242 121.223 0.012 0.000 3.034 231 L HA 0.201 4.540 4.340 -0.001 0.000 0.245 231 L C 0.261 177.134 176.870 0.005 0.000 1.295 231 L CA -0.179 54.669 54.840 0.013 0.000 1.068 231 L CB -0.095 41.972 42.059 0.013 0.000 1.426 231 L HN 0.718 nan 8.230 nan 0.000 0.531 232 D N 0.930 121.332 120.400 0.002 0.000 2.123 232 D HA -0.211 4.429 4.640 -0.001 0.000 0.196 232 D C 1.991 178.287 176.300 -0.007 0.000 0.992 232 D CA 1.221 55.218 54.000 -0.006 0.000 0.833 232 D CB 0.390 41.183 40.800 -0.012 0.000 0.954 232 D HN 0.163 nan 8.370 nan 0.000 0.455 233 K N 1.500 121.900 120.400 0.000 0.000 2.063 233 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 233 K C 1.397 177.999 176.600 0.003 0.000 1.048 233 K CA 1.394 57.683 56.287 0.003 0.000 0.928 233 K CB -0.173 32.342 32.500 0.026 0.000 0.713 233 K HN 0.070 nan 8.250 nan 0.000 0.442 234 D N -0.011 120.391 120.400 0.003 0.000 2.149 234 D HA -0.110 4.529 4.640 -0.001 0.000 0.201 234 D C 2.036 178.330 176.300 -0.010 0.000 0.972 234 D CA 1.279 55.276 54.000 -0.004 0.000 0.835 234 D CB -0.045 40.750 40.800 -0.008 0.000 0.966 234 D HN 0.284 nan 8.370 nan 0.000 0.476 235 I N 1.140 121.704 120.570 -0.010 0.000 2.226 235 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 235 I C 2.802 178.911 176.117 -0.013 0.000 1.100 235 I CA 1.071 62.364 61.300 -0.013 0.000 1.374 235 I CB -0.254 37.738 38.000 -0.012 0.000 1.057 235 I HN -0.032 nan 8.210 nan 0.000 0.413 236 Q N 0.509 120.301 119.800 -0.012 0.000 2.030 236 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 236 Q C 2.175 178.169 176.000 -0.011 0.000 0.986 236 Q CA 2.586 58.381 55.803 -0.014 0.000 0.843 236 Q CB -0.080 28.648 28.738 -0.016 0.000 0.904 236 Q HN 0.425 nan 8.270 nan 0.000 0.420 237 T N 0.767 115.318 114.554 -0.005 0.000 2.635 237 T HA -0.222 4.127 4.350 -0.001 0.000 0.267 237 T C 1.775 176.471 174.700 -0.007 0.000 1.040 237 T CA 1.572 63.671 62.100 -0.001 0.000 1.156 237 T CB -0.531 68.341 68.868 0.006 0.000 0.863 237 T HN 0.515 nan 8.240 nan 0.000 0.430 238 A N 1.658 124.472 122.820 -0.010 0.000 1.940 238 A HA -0.120 4.200 4.320 -0.001 0.000 0.219 238 A C 2.550 180.125 177.584 -0.014 0.000 1.176 238 A CA 2.251 54.281 52.037 -0.012 0.000 0.631 238 A CB -0.866 18.127 19.000 -0.013 0.000 0.814 238 A HN 0.627 nan 8.150 nan 0.000 0.446 239 S N -0.930 114.761 115.700 -0.015 0.000 2.481 239 S HA -0.127 4.342 4.470 -0.001 0.000 0.231 239 S C 1.644 176.232 174.600 -0.021 0.000 0.996 239 S CA 1.204 59.394 58.200 -0.018 0.000 0.942 239 S CB -0.305 62.885 63.200 -0.018 0.000 0.768 239 S HN 0.686 nan 8.310 nan 0.000 0.520 240 Q N 0.714 120.502 119.800 -0.020 0.000 2.408 240 Q HA 0.261 4.600 4.340 -0.001 0.000 0.205 240 Q C 0.430 176.413 176.000 -0.029 0.000 0.919 240 Q CA 0.292 56.080 55.803 -0.024 0.000 0.932 240 Q CB 0.855 29.580 28.738 -0.021 0.000 1.058 240 Q HN 0.711 nan 8.270 nan 0.000 0.517 241 V N -2.426 117.472 119.914 -0.026 0.000 2.960 241 V HA 0.579 4.698 4.120 -0.001 0.000 0.315 241 V C -0.918 175.155 176.094 -0.036 0.000 1.087 241 V CA -1.203 61.078 62.300 -0.032 0.000 0.982 241 V CB 2.173 33.981 31.823 -0.026 0.000 1.039 241 V HN -0.068 nan 8.190 nan 0.000 0.437 242 K N 1.093 121.465 120.400 -0.046 0.000 2.292 242 K HA 0.667 4.986 4.320 -0.001 0.000 0.257 242 K C 0.532 177.088 176.600 -0.073 0.000 0.940 242 K CA 0.156 56.412 56.287 -0.052 0.000 0.811 242 K CB 1.328 33.797 32.500 -0.053 0.000 1.120 242 K HN 1.928 nan 8.250 nan 0.000 0.428 243 G N 2.842 111.594 108.800 -0.079 0.000 2.159 243 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.227 243 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.227 243 G C -0.683 174.149 174.900 -0.113 0.000 0.986 243 G CA 0.007 45.022 45.100 -0.142 0.000 0.651 243 G HN 0.500 nan 8.290 nan 0.000 0.523 244 L N 1.433 122.631 121.223 -0.043 0.000 2.281 244 L HA 0.610 4.949 4.340 -0.001 0.000 0.285 244 L C 0.956 177.854 176.870 0.048 0.000 1.074 244 L CA -0.128 54.706 54.840 -0.011 0.000 0.817 244 L CB 0.767 42.818 42.059 -0.014 0.000 1.168 244 L HN 0.101 nan 8.230 nan 0.000 0.434 245 D N 4.913 125.362 120.400 0.082 0.000 2.149 245 D HA 0.092 4.732 4.640 -0.001 0.000 0.206 245 D C 0.186 176.524 176.300 0.062 0.000 0.967 245 D CA 1.334 55.433 54.000 0.165 0.000 0.848 245 D CB 0.481 41.371 40.800 0.150 0.000 0.998 245 D HN 0.276 nan 8.370 nan 0.000 0.474 246 I N 1.062 121.604 120.570 -0.047 0.000 2.569 246 I HA 0.307 4.477 4.170 -0.001 0.000 0.290 246 I C -0.598 175.461 176.117 -0.097 0.000 1.088 246 I CA -0.588 60.657 61.300 -0.092 0.000 1.047 246 I CB 2.559 40.466 38.000 -0.156 0.000 1.237 246 I HN -0.123 nan 8.210 nan 0.000 0.421 247 L N 7.052 128.218 121.223 -0.095 0.000 2.345 247 L HA 0.577 4.916 4.340 -0.001 0.000 0.274 247 L C -0.947 175.842 176.870 -0.135 0.000 0.999 247 L CA -0.428 54.355 54.840 -0.094 0.000 0.849 247 L CB 1.094 43.117 42.059 -0.059 0.000 1.220 247 L HN 0.463 nan 8.230 nan 0.000 0.422 248 I N 3.963 124.442 120.570 -0.151 0.000 2.315 248 I HA 0.270 4.439 4.170 -0.001 0.000 0.291 248 I C 0.307 176.369 176.117 -0.093 0.000 1.006 248 I CA -0.059 61.126 61.300 -0.191 0.000 1.265 248 I CB 1.798 39.678 38.000 -0.199 0.000 1.387 248 I HN 0.475 nan 8.210 nan 0.000 0.475 249 T N 4.375 118.888 114.554 -0.067 0.000 2.888 249 T HA 0.781 5.130 4.350 -0.001 0.000 0.284 249 T C -0.209 174.504 174.700 0.020 0.000 1.017 249 T CA -0.501 61.585 62.100 -0.024 0.000 1.022 249 T CB 1.465 70.318 68.868 -0.025 0.000 1.013 249 T HN 0.786 nan 8.240 nan 0.000 0.465 250 G N 1.002 109.792 108.800 -0.017 0.000 2.605 250 G HA2 0.627 4.586 3.960 -0.001 0.000 0.296 250 G HA3 0.627 4.586 3.960 -0.001 0.000 0.296 250 G C -0.506 174.187 174.900 -0.344 0.000 1.304 250 G CA -0.151 44.931 45.100 -0.030 0.000 0.941 250 G HN 1.029 nan 8.290 nan 0.000 0.475 251 H N -1.022 117.850 119.070 -0.330 0.000 4.573 251 H HA -0.163 4.392 4.556 -0.001 0.000 0.100 251 H C 1.926 177.281 175.328 0.046 0.000 0.624 251 H CA 1.630 57.508 56.048 -0.283 0.000 0.964 251 H CB -1.053 28.388 29.762 -0.534 0.000 0.408 251 H HN 0.924 nan 8.280 nan 0.000 0.795 252 A N 0.600 123.442 122.820 0.037 0.000 2.072 252 A HA 0.133 4.452 4.320 -0.001 0.000 0.216 252 A C 0.615 178.230 177.584 0.051 0.000 1.156 252 A CA 1.243 53.259 52.037 -0.036 0.000 0.701 252 A CB -0.634 18.376 19.000 0.018 0.000 0.816 252 A HN 0.796 nan 8.150 nan 0.000 0.458 253 H N -2.038 117.047 119.070 0.025 0.000 2.791 253 H HA -0.125 4.431 4.556 -0.001 0.000 0.302 253 H C -0.848 174.513 175.328 0.056 0.000 1.198 253 H CA 0.012 56.103 56.048 0.072 0.000 1.145 253 H CB -2.041 27.764 29.762 0.072 0.000 1.385 253 H HN 0.242 nan 8.280 nan 0.000 0.409 254 V N 1.178 121.188 119.914 0.160 0.000 2.334 254 V HA 0.398 4.518 4.120 -0.001 0.000 0.281 254 V C 1.089 177.257 176.094 0.123 0.000 1.016 254 V CA -0.011 62.351 62.300 0.103 0.000 0.832 254 V CB 1.609 33.466 31.823 0.056 0.000 0.999 254 V HN 0.469 nan 8.190 nan 0.000 0.439 255 G N 3.063 111.945 108.800 0.137 0.000 2.569 255 G HA2 0.454 4.413 3.960 -0.001 0.000 0.249 255 G HA3 0.454 4.413 3.960 -0.001 0.000 0.249 255 G C 0.235 175.230 174.900 0.159 0.000 1.216 255 G CA 0.010 45.213 45.100 0.173 0.000 0.845 255 G HN 0.761 nan 8.290 nan 0.000 0.568 256 T N -0.296 114.383 114.554 0.209 0.000 2.947 256 T HA 0.485 4.835 4.350 -0.001 0.000 0.337 256 T C -1.527 173.332 174.700 0.265 0.000 1.139 256 T CA -1.659 60.536 62.100 0.157 0.000 0.992 256 T CB 2.150 71.056 68.868 0.064 0.000 1.043 256 T HN 0.280 nan 8.240 nan 0.000 0.498 257 P HA 0.033 nan 4.420 nan 0.000 0.221 257 P C -0.044 177.477 177.300 0.368 0.000 1.150 257 P CA 0.935 64.218 63.100 0.305 0.000 0.800 257 P CB 0.258 32.068 31.700 0.183 0.000 0.787 258 E N -0.470 119.816 120.200 0.144 0.000 2.288 258 E HA 0.451 4.800 4.350 -0.001 0.000 0.268 258 E C -2.716 173.720 176.600 -0.273 0.000 0.885 258 E CA -2.820 53.565 56.400 -0.024 0.000 0.767 258 E CB 0.209 29.924 29.700 0.025 0.000 1.220 258 E HN -0.066 nan 8.360 nan 0.000 0.427 259 P HA 0.062 nan 4.420 nan 0.000 0.266 259 P C -0.548 176.643 177.300 -0.181 0.000 1.195 259 P CA 0.170 63.013 63.100 -0.429 0.000 0.768 259 P CB 0.405 31.860 31.700 -0.409 0.000 0.838 260 I N 2.595 123.089 120.570 -0.126 0.000 2.304 260 I HA 0.221 4.390 4.170 -0.001 0.000 0.291 260 I C 0.919 177.006 176.117 -0.050 0.000 1.018 260 I CA -0.447 60.813 61.300 -0.066 0.000 1.260 260 I CB 0.548 38.521 38.000 -0.044 0.000 1.390 260 I HN 0.166 nan 8.210 nan 0.000 0.475 261 K N 6.284 126.665 120.400 -0.033 0.000 2.248 261 K HA 0.549 4.869 4.320 -0.001 0.000 0.281 261 K C -1.262 175.330 176.600 -0.014 0.000 1.054 261 K CA -0.424 55.854 56.287 -0.016 0.000 0.903 261 K CB 1.136 33.630 32.500 -0.010 0.000 1.077 261 K HN 0.405 nan 8.250 nan 0.000 0.474 262 V N 4.860 124.768 119.914 -0.009 0.000 2.398 262 V HA 0.352 4.472 4.120 -0.001 0.000 0.282 262 V C 0.640 176.729 176.094 -0.009 0.000 1.014 262 V CA -0.025 62.269 62.300 -0.011 0.000 0.838 262 V CB 0.414 32.229 31.823 -0.013 0.000 1.018 262 V HN 1.193 nan 8.190 nan 0.000 0.432 263 G N 5.253 114.044 108.800 -0.014 0.000 2.583 263 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.292 263 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.292 263 G C 0.583 175.471 174.900 -0.019 0.000 1.203 263 G CA 0.606 45.695 45.100 -0.019 0.000 0.987 263 G HN 0.604 nan 8.290 nan 0.000 0.554 264 N N 1.514 120.205 118.700 -0.016 0.000 2.383 264 N HA 0.141 4.880 4.740 -0.001 0.000 0.192 264 N C 0.426 175.978 175.510 0.071 0.000 1.141 264 N CA 1.050 54.089 53.050 -0.018 0.000 0.851 264 N CB 0.198 38.663 38.487 -0.037 0.000 0.976 264 N HN 0.538 nan 8.380 nan 0.000 0.465 265 T N 1.336 115.925 114.554 0.058 0.000 2.799 265 T HA 0.430 4.779 4.350 -0.001 0.000 0.286 265 T C 0.447 175.187 174.700 0.066 0.000 0.973 265 T CA -0.406 61.740 62.100 0.078 0.000 1.035 265 T CB 1.529 70.413 68.868 0.026 0.000 0.932 265 T HN -0.056 nan 8.240 nan 0.000 0.469 266 L N 3.859 125.129 121.223 0.079 0.000 2.282 266 L HA 0.549 4.889 4.340 -0.001 0.000 0.288 266 L C -0.180 176.656 176.870 -0.056 0.000 1.033 266 L CA -0.800 54.047 54.840 0.012 0.000 0.807 266 L CB 1.082 43.157 42.059 0.027 0.000 1.209 266 L HN 0.495 nan 8.230 nan 0.000 0.423 267 I N 4.715 125.238 120.570 -0.079 0.000 2.336 267 I HA 0.409 4.578 4.170 -0.001 0.000 0.292 267 I C -0.454 175.578 176.117 -0.142 0.000 0.991 267 I CA -0.327 60.915 61.300 -0.096 0.000 1.227 267 I CB 1.273 39.237 38.000 -0.061 0.000 1.366 267 I HN 0.390 nan 8.210 nan 0.000 0.466 268 L N 5.543 126.651 121.223 -0.191 0.000 2.408 268 L HA 0.670 5.009 4.340 -0.001 0.000 0.268 268 L C -0.324 176.429 176.870 -0.195 0.000 0.986 268 L CA -0.367 54.321 54.840 -0.255 0.000 0.820 268 L CB 2.072 43.787 42.059 -0.573 0.000 1.303 268 L HN 0.553 nan 8.230 nan 0.000 0.411 269 S N 0.080 115.840 115.700 0.100 0.000 2.615 269 S HA 0.760 5.230 4.470 -0.001 0.000 0.269 269 S C -0.850 174.038 174.600 0.481 0.000 1.161 269 S CA -0.246 58.115 58.200 0.268 0.000 0.817 269 S CB 2.189 65.473 63.200 0.141 0.000 1.131 269 S HN 0.786 nan 8.310 nan 0.000 0.467 270 T N -0.878 113.902 114.554 0.378 0.000 2.927 270 T HA 0.530 4.879 4.350 -0.001 0.000 0.286 270 T C -0.317 174.490 174.700 0.178 0.000 1.040 270 T CA -0.584 61.662 62.100 0.244 0.000 1.010 270 T CB 1.179 70.134 68.868 0.145 0.000 1.177 270 T HN 0.450 nan 8.240 nan 0.000 0.546 271 D N 1.044 121.534 120.400 0.149 0.000 2.349 271 D HA 0.167 4.807 4.640 -0.001 0.000 0.224 271 D C 0.847 177.231 176.300 0.140 0.000 1.029 271 D CA 1.227 55.329 54.000 0.171 0.000 0.879 271 D CB -0.153 40.778 40.800 0.218 0.000 0.906 271 D HN 0.970 nan 8.370 nan 0.000 0.528 272 S N -1.728 114.011 115.700 0.064 0.000 3.656 272 S HA -0.053 4.416 4.470 -0.001 0.000 0.764 272 S C 0.943 175.583 174.600 0.066 0.000 1.134 272 S CA 0.518 58.696 58.200 -0.037 0.000 1.138 272 S CB -1.122 61.834 63.200 -0.408 0.000 0.596 272 S HN 0.763 nan 8.310 nan 0.000 0.459 273 G N 1.029 109.909 108.800 0.134 0.000 2.166 273 G HA2 0.230 4.189 3.960 -0.001 0.000 0.260 273 G HA3 0.230 4.189 3.960 -0.001 0.000 0.260 273 G C 1.200 176.277 174.900 0.296 0.000 0.986 273 G CA 0.961 46.213 45.100 0.253 0.000 0.683 273 G HN 2.930 nan 8.290 nan 0.000 0.527 274 G N -0.941 107.971 108.800 0.186 0.000 2.168 274 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.257 274 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.257 274 G C 1.241 176.135 174.900 -0.010 0.000 0.997 274 G CA 0.939 46.103 45.100 0.107 0.000 0.708 274 G HN 1.161 nan 8.290 nan 0.000 0.520 275 I N 0.803 121.353 120.570 -0.033 0.000 2.208 275 I HA 0.024 4.194 4.170 -0.001 0.000 0.245 275 I C 1.269 177.282 176.117 -0.172 0.000 1.097 275 I CA 1.885 63.088 61.300 -0.161 0.000 1.363 275 I CB -0.148 37.782 38.000 -0.117 0.000 1.051 275 I HN 0.569 nan 8.210 nan 0.000 0.413 276 D N -1.696 118.643 120.400 -0.101 0.000 2.570 276 D HA 0.540 5.179 4.640 -0.001 0.000 0.244 276 D C -0.907 175.306 176.300 -0.144 0.000 1.178 276 D CA -0.553 53.372 54.000 -0.125 0.000 0.881 276 D CB 2.021 42.776 40.800 -0.075 0.000 1.453 276 D HN -0.280 nan 8.370 nan 0.000 0.447 277 V N 0.039 119.825 119.914 -0.213 0.000 2.577 277 V HA 0.784 4.903 4.120 -0.001 0.000 0.303 277 V C 0.560 176.408 176.094 -0.410 0.000 1.042 277 V CA -0.740 61.377 62.300 -0.306 0.000 0.872 277 V CB 1.790 33.417 31.823 -0.326 0.000 0.998 277 V HN 0.829 nan 8.190 nan 0.000 0.423 278 G N 2.804 111.164 108.800 -0.734 0.000 2.395 278 G HA2 0.569 4.528 3.960 -0.001 0.000 0.283 278 G HA3 0.569 4.528 3.960 -0.001 0.000 0.283 278 G C -0.657 173.933 174.900 -0.516 0.000 1.178 278 G CA -0.347 44.281 45.100 -0.788 0.000 0.837 278 G HN 0.658 nan 8.290 nan 0.000 0.518 279 K N 1.704 121.867 120.400 -0.394 0.000 2.545 279 K HA 0.473 4.792 4.320 -0.001 0.000 0.252 279 K C -1.609 174.958 176.600 -0.055 0.000 0.948 279 K CA -0.806 55.380 56.287 -0.169 0.000 0.827 279 K CB 1.520 33.905 32.500 -0.192 0.000 1.128 279 K HN 0.337 nan 8.250 nan 0.000 0.429 280 L N 5.299 126.668 121.223 0.244 0.000 2.305 280 L HA 0.488 4.827 4.340 -0.001 0.000 0.284 280 L C -1.578 175.418 176.870 0.210 0.000 1.013 280 L CA -0.514 54.554 54.840 0.379 0.000 0.819 280 L CB 1.781 44.119 42.059 0.465 0.000 1.227 280 L HN 0.370 nan 8.230 nan 0.000 0.417 281 V N 6.581 126.606 119.914 0.185 0.000 2.384 281 V HA 0.469 4.589 4.120 -0.001 0.000 0.287 281 V C 0.048 176.232 176.094 0.150 0.000 1.020 281 V CA -0.528 61.856 62.300 0.140 0.000 0.850 281 V CB 1.304 33.193 31.823 0.110 0.000 0.987 281 V HN 0.627 nan 8.190 nan 0.000 0.436 282 L N 3.239 124.541 121.223 0.132 0.000 2.331 282 L HA 0.601 4.940 4.340 -0.001 0.000 0.275 282 L C -0.331 176.653 176.870 0.189 0.000 1.022 282 L CA -0.631 54.304 54.840 0.159 0.000 0.812 282 L CB 1.859 43.956 42.059 0.062 0.000 1.257 282 L HN 0.504 nan 8.230 nan 0.000 0.435 283 D N 1.386 121.919 120.400 0.222 0.000 2.347 283 D HA 0.164 4.803 4.640 -0.001 0.000 0.235 283 D C -1.380 175.087 176.300 0.278 0.000 1.149 283 D CA 0.026 54.147 54.000 0.202 0.000 0.850 283 D CB 0.574 41.462 40.800 0.147 0.000 1.061 283 D HN 0.234 nan 8.370 nan 0.000 0.487 284 Y N 2.785 123.155 120.300 0.117 0.000 2.341 284 Y HA 0.364 4.913 4.550 -0.001 0.000 0.338 284 Y C -0.019 175.931 175.900 0.084 0.000 0.965 284 Y CA -0.689 57.480 58.100 0.114 0.000 1.108 284 Y CB 1.415 39.930 38.460 0.092 0.000 1.180 284 Y HN 0.258 nan 8.280 nan 0.000 0.458 285 K N 4.726 124.794 120.400 -0.553 0.000 2.896 285 K HA 0.185 4.504 4.320 -0.001 0.000 0.210 285 K C -0.355 175.913 176.600 -0.554 0.000 1.116 285 K CA 0.056 56.101 56.287 -0.403 0.000 1.050 285 K CB 0.312 32.704 32.500 -0.179 0.000 0.812 285 K HN 0.860 nan 8.250 nan 0.000 0.462 286 E N -0.104 119.439 120.200 -1.096 0.000 3.628 286 E HA -0.221 4.128 4.350 -0.001 0.000 0.309 286 E C -0.228 176.202 176.600 -0.283 0.000 0.839 286 E CA 0.724 56.794 56.400 -0.550 0.000 1.123 286 E CB -0.881 28.711 29.700 -0.180 0.000 1.568 286 E HN 0.095 nan 8.360 nan 0.000 0.440 287 K N 1.514 121.707 120.400 -0.345 0.000 2.347 287 K HA 0.287 4.607 4.320 -0.001 0.000 0.262 287 K C -2.790 173.901 176.600 0.150 0.000 1.052 287 K CA -2.333 53.925 56.287 -0.049 0.000 0.946 287 K CB 0.985 33.457 32.500 -0.045 0.000 1.220 287 K HN -0.259 nan 8.250 nan 0.000 0.450 288 P HA -0.073 nan 4.420 nan 0.000 0.263 288 P C -0.844 176.488 177.300 0.053 0.000 1.175 288 P CA 0.685 63.814 63.100 0.048 0.000 0.761 288 P CB 0.293 31.950 31.700 -0.072 0.000 0.794 289 H N -1.073 118.150 119.070 0.255 0.000 3.237 289 H HA -0.160 4.396 4.556 -0.001 0.000 0.231 289 H C -0.202 175.287 175.328 0.268 0.000 1.148 289 H CA 0.634 56.827 56.048 0.242 0.000 1.155 289 H CB -1.990 27.850 29.762 0.130 0.000 1.210 289 H HN 0.558 nan 8.280 nan 0.000 0.317 290 N N 0.404 119.323 118.700 0.365 0.000 2.354 290 N HA 0.498 5.238 4.740 -0.001 0.000 0.287 290 N C -0.309 175.393 175.510 0.320 0.000 1.016 290 N CA -0.126 53.021 53.050 0.162 0.000 0.871 290 N CB 2.192 40.724 38.487 0.075 0.000 1.299 290 N HN 0.113 nan 8.380 nan 0.000 0.482 291 F N -1.396 118.640 119.950 0.143 0.000 2.741 291 F HA 0.559 5.085 4.527 -0.001 0.000 0.311 291 F C -0.716 175.141 175.800 0.095 0.000 1.149 291 F CA -1.045 57.049 58.000 0.158 0.000 0.930 291 F CB 1.053 40.159 39.000 0.177 0.000 1.312 291 F HN 0.205 nan 8.300 nan 0.000 0.450 292 T N -0.984 113.735 114.554 0.275 0.000 2.916 292 T HA 0.734 5.084 4.350 -0.001 0.000 0.292 292 T C -1.159 173.723 174.700 0.303 0.000 1.055 292 T CA -0.962 61.249 62.100 0.185 0.000 1.009 292 T CB 1.680 70.603 68.868 0.091 0.000 1.118 292 T HN 0.717 nan 8.240 nan 0.000 0.497 293 V N 2.846 122.905 119.914 0.241 0.000 2.427 293 V HA 0.284 4.404 4.120 -0.001 0.000 0.268 293 V C 1.521 177.716 176.094 0.167 0.000 1.046 293 V CA -0.307 62.127 62.300 0.224 0.000 0.970 293 V CB 0.718 32.658 31.823 0.197 0.000 1.001 293 V HN 1.052 nan 8.190 nan 0.000 0.476 294 K N 4.354 124.852 120.400 0.163 0.000 2.099 294 K HA 0.070 4.389 4.320 -0.001 0.000 0.203 294 K C 0.729 177.405 176.600 0.127 0.000 1.047 294 K CA 0.798 57.162 56.287 0.129 0.000 0.963 294 K CB 0.245 32.816 32.500 0.118 0.000 0.759 294 K HN 0.726 nan 8.250 nan 0.000 0.451 295 N N -1.320 117.471 118.700 0.152 0.000 2.484 295 N HA 0.267 5.007 4.740 -0.001 0.000 0.269 295 N C -2.240 173.413 175.510 0.239 0.000 1.237 295 N CA -0.758 52.385 53.050 0.155 0.000 0.838 295 N CB 1.282 39.826 38.487 0.095 0.000 1.593 295 N HN 0.000 nan 8.380 nan 0.000 0.485 296 F N 1.120 121.117 119.950 0.078 0.000 2.581 296 F HA 0.560 5.086 4.527 -0.001 0.000 0.311 296 F C -1.226 174.620 175.800 0.076 0.000 1.113 296 F CA -0.410 57.643 58.000 0.089 0.000 0.935 296 F CB 1.700 40.763 39.000 0.104 0.000 1.232 296 F HN 0.511 nan 8.300 nan 0.000 0.445 297 E N 5.568 125.178 120.200 -0.983 0.000 2.290 297 E HA 0.436 4.786 4.350 -0.001 0.000 0.274 297 E C -2.242 173.811 176.600 -0.912 0.000 0.889 297 E CA -0.998 55.004 56.400 -0.665 0.000 0.760 297 E CB 2.090 31.621 29.700 -0.282 0.000 1.206 297 E HN 0.685 nan 8.360 nan 0.000 0.419 298 L N 4.722 125.674 121.223 -0.452 0.000 2.272 298 L HA 0.411 4.750 4.340 -0.001 0.000 0.284 298 L C -0.823 175.972 176.870 -0.124 0.000 1.045 298 L CA -0.107 54.608 54.840 -0.209 0.000 0.842 298 L CB 0.624 42.746 42.059 0.105 0.000 1.224 298 L HN 0.424 nan 8.230 nan 0.000 0.430 299 K N 3.476 123.782 120.400 -0.157 0.000 2.234 299 K HA 0.392 4.711 4.320 -0.001 0.000 0.277 299 K C -0.519 176.019 176.600 -0.103 0.000 1.038 299 K CA -0.432 55.801 56.287 -0.089 0.000 0.888 299 K CB 0.787 33.249 32.500 -0.063 0.000 1.091 299 K HN 0.640 nan 8.250 nan 0.000 0.467 300 T N 4.929 119.420 114.554 -0.106 0.000 2.870 300 T HA 0.145 4.495 4.350 -0.001 0.000 0.300 300 T C 0.241 174.740 174.700 -0.335 0.000 0.989 300 T CA -0.261 61.674 62.100 -0.274 0.000 1.139 300 T CB 0.265 68.891 68.868 -0.403 0.000 0.920 300 T HN 0.355 nan 8.240 nan 0.000 0.537 301 I N 4.415 124.760 120.570 -0.376 0.000 2.291 301 I HA 0.228 4.397 4.170 -0.001 0.000 0.290 301 I C -0.509 175.431 176.117 -0.295 0.000 1.050 301 I CA -0.765 60.396 61.300 -0.231 0.000 1.245 301 I CB -0.219 37.610 38.000 -0.284 0.000 1.405 301 I HN 0.598 nan 8.210 nan 0.000 0.478 302 Y N 3.930 124.316 120.300 0.142 0.000 2.335 302 Y HA 0.410 4.959 4.550 -0.001 0.000 0.339 302 Y C 1.366 177.372 175.900 0.175 0.000 0.987 302 Y CA -0.556 57.591 58.100 0.079 0.000 1.140 302 Y CB 1.625 40.106 38.460 0.035 0.000 1.173 302 Y HN 0.679 nan 8.280 nan 0.000 0.486 303 A N 1.886 124.838 122.820 0.220 0.000 1.940 303 A HA -0.254 4.065 4.320 -0.001 0.000 0.219 303 A C 1.695 179.389 177.584 0.182 0.000 1.176 303 A CA 2.055 54.204 52.037 0.187 0.000 0.631 303 A CB -0.609 18.447 19.000 0.093 0.000 0.814 303 A HN 0.894 nan 8.150 nan 0.000 0.446 304 D N -0.424 120.056 120.400 0.133 0.000 2.378 304 D HA -0.075 4.564 4.640 -0.001 0.000 0.227 304 D C 1.135 177.446 176.300 0.018 0.000 1.012 304 D CA 1.063 55.097 54.000 0.058 0.000 0.905 304 D CB -0.374 40.434 40.800 0.013 0.000 0.895 304 D HN 0.643 nan 8.370 nan 0.000 0.532 305 E N -1.446 118.780 120.200 0.043 0.000 2.481 305 E HA 0.140 4.489 4.350 -0.001 0.000 0.198 305 E C -0.489 175.841 176.600 -0.449 0.000 1.027 305 E CA -0.223 56.069 56.400 -0.178 0.000 0.900 305 E CB 0.314 29.908 29.700 -0.177 0.000 0.993 305 E HN 0.286 nan 8.360 nan 0.000 0.482 306 W N 1.179 122.478 121.300 -0.002 0.000 2.819 306 W HA 0.369 5.029 4.660 -0.001 0.000 0.337 306 W C -0.276 176.234 176.519 -0.015 0.000 1.077 306 W CA -0.858 56.477 57.345 -0.016 0.000 1.226 306 W CB 1.251 30.698 29.460 -0.022 0.000 1.419 306 W HN -0.396 nan 8.180 nan 0.000 0.502 307 K N 4.089 124.630 120.400 0.235 0.000 2.276 307 K HA 0.258 4.577 4.320 -0.001 0.000 0.285 307 K C -2.197 174.499 176.600 0.160 0.000 1.062 307 K CA -1.508 54.866 56.287 0.145 0.000 0.918 307 K CB 0.786 33.335 32.500 0.080 0.000 1.055 307 K HN 0.003 nan 8.250 nan 0.000 0.477 308 P HA -0.008 nan 4.420 nan 0.000 0.276 308 P C -0.752 176.582 177.300 0.057 0.000 1.230 308 P CA -0.271 62.878 63.100 0.081 0.000 0.776 308 P CB 0.609 32.350 31.700 0.067 0.000 0.888 309 D N 1.758 122.181 120.400 0.038 0.000 2.450 309 D HA -0.058 4.581 4.640 -0.001 0.000 0.247 309 D C 1.432 177.752 176.300 0.033 0.000 1.162 309 D CA 0.339 54.354 54.000 0.025 0.000 0.879 309 D CB 0.605 41.408 40.800 0.004 0.000 1.163 309 D HN 0.289 nan 8.370 nan 0.000 0.472 310 Q N 1.926 121.743 119.800 0.028 0.000 2.084 310 Q HA -0.246 4.093 4.340 -0.001 0.000 0.202 310 Q C 1.732 177.751 176.000 0.033 0.000 0.978 310 Q CA 1.461 57.281 55.803 0.028 0.000 0.844 310 Q CB 0.136 28.886 28.738 0.021 0.000 0.898 310 Q HN 0.680 nan 8.270 nan 0.000 0.426 311 Q N -0.914 118.906 119.800 0.033 0.000 2.046 311 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 311 Q C 2.095 178.132 176.000 0.062 0.000 0.975 311 Q CA 1.822 57.651 55.803 0.042 0.000 0.836 311 Q CB -0.017 28.744 28.738 0.039 0.000 0.896 311 Q HN 0.314 nan 8.270 nan 0.000 0.428 312 T N 1.164 115.758 114.554 0.066 0.000 2.708 312 T HA -0.199 4.151 4.350 -0.001 0.000 0.266 312 T C 1.692 176.447 174.700 0.092 0.000 1.037 312 T CA 1.518 63.676 62.100 0.096 0.000 1.146 312 T CB -0.185 68.743 68.868 0.100 0.000 0.865 312 T HN 0.250 nan 8.240 nan 0.000 0.435 313 K N 0.840 121.280 120.400 0.068 0.000 2.103 313 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 313 K C 2.468 179.101 176.600 0.054 0.000 1.048 313 K CA 1.374 57.695 56.287 0.056 0.000 0.930 313 K CB -0.140 32.387 32.500 0.044 0.000 0.716 313 K HN 0.372 nan 8.250 nan 0.000 0.444 314 Q N 0.303 120.133 119.800 0.050 0.000 2.084 314 Q HA -0.147 4.192 4.340 -0.001 0.000 0.202 314 Q C 1.917 177.948 176.000 0.052 0.000 0.978 314 Q CA 1.758 57.584 55.803 0.039 0.000 0.844 314 Q CB 0.113 28.869 28.738 0.030 0.000 0.898 314 Q HN 0.229 nan 8.270 nan 0.000 0.426 315 V N 0.874 120.839 119.914 0.085 0.000 2.358 315 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 315 V C 2.270 178.484 176.094 0.200 0.000 1.047 315 V CA 1.585 63.966 62.300 0.135 0.000 1.035 315 V CB -0.484 31.447 31.823 0.180 0.000 0.658 315 V HN 0.381 nan 8.190 nan 0.000 0.452 316 I N 0.316 120.978 120.570 0.153 0.000 2.163 316 I HA -0.274 3.896 4.170 -0.001 0.000 0.243 316 I C 2.306 178.492 176.117 0.115 0.000 1.085 316 I CA 1.793 63.165 61.300 0.120 0.000 1.347 316 I CB -0.575 37.442 38.000 0.029 0.000 1.044 316 I HN 0.307 nan 8.210 nan 0.000 0.408 317 D N 0.968 121.410 120.400 0.071 0.000 2.117 317 D HA -0.138 4.501 4.640 -0.001 0.000 0.197 317 D C 2.221 178.545 176.300 0.040 0.000 0.987 317 D CA 1.597 55.626 54.000 0.048 0.000 0.829 317 D CB -0.628 40.188 40.800 0.027 0.000 0.961 317 D HN 0.419 nan 8.370 nan 0.000 0.460 318 G N -0.434 108.373 108.800 0.012 0.000 2.418 318 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 318 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 318 G C 1.529 176.369 174.900 -0.100 0.000 1.158 318 G CA 0.405 45.455 45.100 -0.083 0.000 0.771 318 G HN 0.297 nan 8.290 nan 0.000 0.545 319 W N 0.931 122.224 121.300 -0.011 0.000 2.409 319 W HA 0.039 4.699 4.660 -0.001 0.000 0.299 319 W C 2.569 179.087 176.519 -0.000 0.000 1.203 319 W CA 0.520 57.856 57.345 -0.014 0.000 1.298 319 W CB 0.042 29.481 29.460 -0.036 0.000 1.127 319 W HN 0.093 nan 8.180 nan 0.000 0.528 320 N N 0.487 119.325 118.700 0.229 0.000 2.166 320 N HA -0.190 4.549 4.740 -0.001 0.000 0.186 320 N C 1.543 177.122 175.510 0.116 0.000 1.019 320 N CA 1.424 54.575 53.050 0.168 0.000 0.856 320 N CB -0.657 37.895 38.487 0.108 0.000 0.993 320 N HN 0.197 nan 8.380 nan 0.000 0.426 321 K N 1.274 121.713 120.400 0.065 0.000 2.057 321 K HA -0.110 4.209 4.320 -0.001 0.000 0.207 321 K C 1.932 178.543 176.600 0.018 0.000 1.049 321 K CA 1.192 57.492 56.287 0.023 0.000 0.931 321 K CB 0.032 32.526 32.500 -0.010 0.000 0.714 321 K HN 0.029 nan 8.250 nan 0.000 0.440 322 K N 0.497 120.910 120.400 0.021 0.000 2.097 322 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 322 K C 1.841 178.481 176.600 0.065 0.000 1.049 322 K CA 1.143 57.440 56.287 0.017 0.000 0.933 322 K CB 0.068 32.555 32.500 -0.021 0.000 0.717 322 K HN 0.162 nan 8.250 nan 0.000 0.442 323 L N 0.143 121.436 121.223 0.116 0.000 2.446 323 L HA -0.018 4.321 4.340 -0.001 0.000 0.219 323 L C 1.775 178.637 176.870 -0.013 0.000 1.116 323 L CA 0.365 55.254 54.840 0.081 0.000 0.844 323 L CB -0.211 41.950 42.059 0.169 0.000 0.970 323 L HN 0.238 nan 8.230 nan 0.000 0.457 324 D N 0.929 121.333 120.400 0.005 0.000 2.116 324 D HA -0.306 4.333 4.640 -0.001 0.000 0.193 324 D C 1.995 178.260 176.300 -0.059 0.000 0.998 324 D CA 1.690 55.673 54.000 -0.029 0.000 0.836 324 D CB 0.252 41.051 40.800 -0.002 0.000 0.951 324 D HN 0.287 nan 8.370 nan 0.000 0.449 325 E N -0.411 119.767 120.200 -0.037 0.000 2.086 325 E HA -0.201 4.149 4.350 -0.001 0.000 0.200 325 E C 2.025 178.593 176.600 -0.054 0.000 1.012 325 E CA 1.817 58.195 56.400 -0.036 0.000 0.812 325 E CB -0.387 29.301 29.700 -0.020 0.000 0.743 325 E HN 0.245 nan 8.360 nan 0.000 0.453 326 V N 0.384 120.258 119.914 -0.067 0.000 2.307 326 V HA -0.212 3.908 4.120 -0.001 0.000 0.245 326 V C 2.505 178.509 176.094 -0.149 0.000 1.045 326 V CA 1.608 63.858 62.300 -0.083 0.000 1.024 326 V CB -0.303 31.477 31.823 -0.071 0.000 0.651 326 V HN 0.506 nan 8.190 nan 0.000 0.449 327 V N 0.131 119.896 119.914 -0.249 0.000 2.871 327 V HA -0.206 3.914 4.120 -0.001 0.000 0.256 327 V C 2.220 178.165 176.094 -0.249 0.000 1.082 327 V CA 1.770 63.836 62.300 -0.390 0.000 1.105 327 V CB -1.092 30.211 31.823 -0.867 0.000 0.713 327 V HN 0.756 nan 8.190 nan 0.000 0.473 328 Q N 1.019 120.724 119.800 -0.159 0.000 2.369 328 Q HA -0.084 4.255 4.340 -0.001 0.000 0.206 328 Q C 1.515 177.471 176.000 -0.073 0.000 0.963 328 Q CA 0.571 56.315 55.803 -0.098 0.000 0.894 328 Q CB -0.307 28.393 28.738 -0.063 0.000 0.965 328 Q HN 0.799 nan 8.270 nan 0.000 0.475 329 Q N 1.905 121.662 119.800 -0.071 0.000 2.300 329 Q HA 0.034 4.374 4.340 -0.001 0.000 0.280 329 Q C -0.916 175.057 176.000 -0.044 0.000 1.033 329 Q CA 0.198 55.975 55.803 -0.044 0.000 0.903 329 Q CB 0.742 29.462 28.738 -0.030 0.000 1.195 329 Q HN 0.123 nan 8.270 nan 0.000 0.386 330 T N 3.995 118.528 114.554 -0.036 0.000 2.851 330 T HA 0.194 4.543 4.350 -0.001 0.000 0.298 330 T C 0.923 175.598 174.700 -0.040 0.000 0.977 330 T CA -0.136 61.937 62.100 -0.045 0.000 1.126 330 T CB 1.074 69.918 68.868 -0.041 0.000 0.916 330 T HN 0.621 nan 8.240 nan 0.000 0.529 331 V N -0.040 119.835 119.914 -0.066 0.000 3.572 331 V HA 0.801 4.920 4.120 -0.001 0.000 0.260 331 V C 0.463 176.455 176.094 -0.170 0.000 1.324 331 V CA 0.474 62.744 62.300 -0.051 0.000 1.068 331 V CB -0.534 31.297 31.823 0.013 0.000 0.837 331 V HN 0.985 nan 8.190 nan 0.000 0.450 332 A N 0.674 123.313 122.820 -0.301 0.000 2.506 332 A HA 0.794 5.113 4.320 -0.001 0.000 0.305 332 A C -1.463 175.935 177.584 -0.310 0.000 1.166 332 A CA -0.172 51.548 52.037 -0.528 0.000 0.638 332 A CB 1.178 19.278 19.000 -1.500 0.000 1.336 332 A HN 0.731 nan 8.150 nan 0.000 0.493 333 Q N -0.330 119.310 119.800 -0.267 0.000 2.416 333 Q HA 0.788 5.128 4.340 -0.001 0.000 0.281 333 Q C -1.205 174.753 176.000 -0.071 0.000 1.067 333 Q CA -0.534 55.192 55.803 -0.128 0.000 0.809 333 Q CB 2.037 30.738 28.738 -0.061 0.000 1.418 333 Q HN 1.077 nan 8.270 nan 0.000 0.411 334 S N 0.781 116.467 115.700 -0.024 0.000 2.538 334 S HA 0.536 5.006 4.470 -0.001 0.000 0.288 334 S C -2.141 172.476 174.600 0.028 0.000 1.108 334 S CA -1.636 56.580 58.200 0.027 0.000 0.971 334 S CB 1.573 64.800 63.200 0.045 0.000 1.041 334 S HN 0.673 nan 8.310 nan 0.000 0.483 335 P HA 0.065 nan 4.420 nan 0.000 0.229 335 P C 0.306 177.627 177.300 0.036 0.000 1.160 335 P CA 0.657 63.779 63.100 0.035 0.000 0.777 335 P CB -0.168 31.557 31.700 0.041 0.000 0.814 336 V N -4.251 115.689 119.914 0.043 0.000 3.114 336 V HA 0.460 4.580 4.120 -0.001 0.000 0.308 336 V C -0.438 175.684 176.094 0.047 0.000 1.168 336 V CA -1.732 60.594 62.300 0.044 0.000 1.015 336 V CB 2.107 33.959 31.823 0.049 0.000 1.050 336 V HN -0.120 nan 8.190 nan 0.000 0.433 337 E N 1.724 121.950 120.200 0.044 0.000 2.465 337 E HA 0.237 4.587 4.350 -0.001 0.000 0.260 337 E C -0.951 175.685 176.600 0.059 0.000 0.980 337 E CA -0.261 56.167 56.400 0.046 0.000 0.927 337 E CB 0.585 30.312 29.700 0.044 0.000 0.934 337 E HN 0.662 nan 8.360 nan 0.000 0.459 338 L N 5.165 126.426 121.223 0.064 0.000 2.305 338 L HA 0.346 4.685 4.340 -0.001 0.000 0.281 338 L C 0.467 177.379 176.870 0.070 0.000 1.085 338 L CA -0.242 54.646 54.840 0.080 0.000 0.813 338 L CB 0.929 43.051 42.059 0.104 0.000 1.157 338 L HN 0.478 nan 8.230 nan 0.000 0.436 339 K N 3.328 123.775 120.400 0.078 0.000 2.306 339 K HA 0.658 4.977 4.320 -0.001 0.000 0.236 339 K C -0.820 175.829 176.600 0.082 0.000 1.013 339 K CA -0.974 55.359 56.287 0.077 0.000 0.857 339 K CB 2.362 34.912 32.500 0.082 0.000 1.214 339 K HN 0.568 nan 8.250 nan 0.000 0.449 340 R N -0.263 120.288 120.500 0.085 0.000 2.888 340 R HA 0.857 5.197 4.340 -0.001 0.000 0.266 340 R C -1.419 174.950 176.300 0.114 0.000 1.020 340 R CA -1.051 55.106 56.100 0.096 0.000 0.963 340 R CB 1.909 32.257 30.300 0.080 0.000 1.197 340 R HN 0.575 nan 8.270 nan 0.000 0.481 341 A N 0.747 123.647 122.820 0.134 0.000 2.594 341 A HA 0.423 4.743 4.320 -0.001 0.000 0.295 341 A C -1.570 176.142 177.584 0.212 0.000 1.071 341 A CA -0.754 51.374 52.037 0.153 0.000 0.685 341 A CB 1.313 20.387 19.000 0.123 0.000 1.285 341 A HN 0.824 nan 8.150 nan 0.000 0.405 342 Y N 0.990 121.322 120.300 0.054 0.000 2.524 342 Y HA 0.318 4.868 4.550 -0.001 0.000 0.270 342 Y C 1.819 177.758 175.900 0.065 0.000 1.094 342 Y CA 1.538 59.669 58.100 0.051 0.000 1.276 342 Y CB 0.743 39.221 38.460 0.031 0.000 1.130 342 Y HN 0.726 nan 8.280 nan 0.000 0.536 343 G N -0.422 108.478 108.800 0.166 0.000 3.192 343 G HA2 0.224 4.184 3.960 -0.001 0.000 0.239 343 G HA3 0.224 4.184 3.960 -0.001 0.000 0.239 343 G C -0.262 174.763 174.900 0.210 0.000 1.084 343 G CA 0.087 45.282 45.100 0.159 0.000 0.784 343 G HN 0.411 nan 8.290 nan 0.000 0.540 344 E N -1.081 119.209 120.200 0.150 0.000 2.447 344 E HA 0.492 4.841 4.350 -0.001 0.000 0.279 344 E C -1.119 175.543 176.600 0.104 0.000 1.053 344 E CA -0.845 55.644 56.400 0.147 0.000 0.840 344 E CB 0.281 30.054 29.700 0.121 0.000 1.409 344 E HN -0.106 nan 8.360 nan 0.000 0.461 345 S N -0.239 115.515 115.700 0.091 0.000 2.568 345 S HA 0.534 5.004 4.470 -0.001 0.000 0.282 345 S C -0.302 174.346 174.600 0.080 0.000 1.338 345 S CA 0.306 58.551 58.200 0.076 0.000 1.045 345 S CB 0.787 64.025 63.200 0.064 0.000 0.873 345 S HN 0.658 nan 8.310 nan 0.000 0.516 346 A N 1.226 124.095 122.820 0.083 0.000 2.583 346 A HA 0.686 5.006 4.320 -0.001 0.000 0.289 346 A C 1.029 178.667 177.584 0.089 0.000 1.151 346 A CA -0.138 51.950 52.037 0.086 0.000 0.695 346 A CB 0.351 19.407 19.000 0.093 0.000 1.290 346 A HN 0.797 nan 8.150 nan 0.000 0.419 347 S N -0.205 115.551 115.700 0.092 0.000 2.368 347 S HA -0.142 4.328 4.470 -0.001 0.000 0.225 347 S C 1.658 176.333 174.600 0.126 0.000 1.030 347 S CA 1.811 60.071 58.200 0.100 0.000 0.999 347 S CB -0.775 62.486 63.200 0.102 0.000 0.844 347 S HN 0.572 nan 8.310 nan 0.000 0.459 348 L N 1.449 122.758 121.223 0.144 0.000 2.093 348 L HA 0.054 4.394 4.340 -0.001 0.000 0.208 348 L C 2.990 180.007 176.870 0.245 0.000 1.085 348 L CA 1.105 56.078 54.840 0.221 0.000 0.755 348 L CB -1.111 41.049 42.059 0.169 0.000 0.904 348 L HN 0.530 nan 8.230 nan 0.000 0.435 349 G N -0.250 108.650 108.800 0.167 0.000 2.402 349 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.216 349 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.216 349 G C 1.376 176.318 174.900 0.069 0.000 1.162 349 G CA 0.545 45.723 45.100 0.131 0.000 0.777 349 G HN 0.293 nan 8.290 nan 0.000 0.539 350 N N 0.297 119.032 118.700 0.059 0.000 2.120 350 N HA -0.090 4.650 4.740 -0.001 0.000 0.188 350 N C 2.034 177.524 175.510 -0.034 0.000 1.024 350 N CA 0.936 53.998 53.050 0.019 0.000 0.852 350 N CB -0.476 38.032 38.487 0.036 0.000 1.003 350 N HN 0.298 nan 8.380 nan 0.000 0.424 351 L N 0.937 122.153 121.223 -0.012 0.000 2.027 351 L HA 0.016 4.356 4.340 -0.001 0.000 0.206 351 L C 2.058 178.779 176.870 -0.247 0.000 1.074 351 L CA 1.654 56.424 54.840 -0.117 0.000 0.745 351 L CB -0.992 41.090 42.059 0.039 0.000 0.898 351 L HN 0.127 nan 8.230 nan 0.000 0.433 352 A N -0.372 122.366 122.820 -0.138 0.000 1.902 352 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 352 A C 2.452 179.898 177.584 -0.231 0.000 1.181 352 A CA 1.931 53.796 52.037 -0.286 0.000 0.623 352 A CB -1.241 17.630 19.000 -0.215 0.000 0.818 352 A HN 0.598 nan 8.150 nan 0.000 0.443 353 A N -0.048 122.690 122.820 -0.136 0.000 1.902 353 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 353 A C 1.778 179.274 177.584 -0.147 0.000 1.181 353 A CA 1.893 53.865 52.037 -0.107 0.000 0.623 353 A CB -0.599 18.369 19.000 -0.054 0.000 0.818 353 A HN 0.451 nan 8.150 nan 0.000 0.443 354 D N 0.095 120.365 120.400 -0.217 0.000 2.144 354 D HA -0.051 4.589 4.640 -0.001 0.000 0.199 354 D C 2.219 178.271 176.300 -0.413 0.000 0.984 354 D CA 1.463 55.297 54.000 -0.277 0.000 0.834 354 D CB -0.417 40.189 40.800 -0.324 0.000 0.955 354 D HN 0.424 nan 8.370 nan 0.000 0.465 355 A N 0.639 123.088 122.820 -0.618 0.000 1.902 355 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 355 A C 2.393 179.896 177.584 -0.136 0.000 1.181 355 A CA 0.912 52.674 52.037 -0.459 0.000 0.623 355 A CB -0.765 17.963 19.000 -0.454 0.000 0.818 355 A HN 0.207 nan 8.150 nan 0.000 0.443 356 L N -1.156 119.988 121.223 -0.132 0.000 2.046 356 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 356 L C 2.557 179.426 176.870 -0.001 0.000 1.077 356 L CA 1.125 55.942 54.840 -0.038 0.000 0.747 356 L CB -0.550 41.478 42.059 -0.051 0.000 0.896 356 L HN 0.451 nan 8.230 nan 0.000 0.432 357 L N 0.288 121.498 121.223 -0.021 0.000 2.012 357 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 357 L C 2.631 179.525 176.870 0.041 0.000 1.073 357 L CA 2.110 56.958 54.840 0.013 0.000 0.748 357 L CB -0.744 41.320 42.059 0.008 0.000 0.891 357 L HN 0.161 nan 8.230 nan 0.000 0.431 358 A N -0.703 122.159 122.820 0.070 0.000 1.902 358 A HA -0.074 4.245 4.320 -0.001 0.000 0.217 358 A C 2.424 180.057 177.584 0.081 0.000 1.181 358 A CA 1.747 53.854 52.037 0.116 0.000 0.623 358 A CB -1.125 18.037 19.000 0.271 0.000 0.818 358 A HN 0.567 nan 8.150 nan 0.000 0.443 359 A N -0.310 122.564 122.820 0.090 0.000 1.969 359 A HA 0.235 4.555 4.320 -0.001 0.000 0.218 359 A C 2.427 180.017 177.584 0.009 0.000 1.169 359 A CA 1.801 53.885 52.037 0.077 0.000 0.635 359 A CB -0.809 18.318 19.000 0.212 0.000 0.810 359 A HN 0.991 nan 8.150 nan 0.000 0.445 360 A N -1.263 121.571 122.820 0.024 0.000 1.969 360 A HA 0.417 4.737 4.320 -0.001 0.000 0.218 360 A C 1.620 179.203 177.584 -0.002 0.000 1.169 360 A CA 1.660 53.702 52.037 0.009 0.000 0.635 360 A CB -1.009 18.009 19.000 0.030 0.000 0.810 360 A HN 2.163 nan 8.150 nan 0.000 0.445 361 G N -0.950 107.853 108.800 0.005 0.000 2.661 361 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.685 361 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.685 361 G C 0.322 175.220 174.900 -0.002 0.000 1.298 361 G CA 0.125 45.222 45.100 -0.005 0.000 0.855 361 G HN 0.849 nan 8.290 nan 0.000 0.560 362 K N -0.428 119.965 120.400 -0.012 0.000 2.362 362 K HA 0.001 4.321 4.320 -0.001 0.000 0.200 362 K C 1.495 178.077 176.600 -0.030 0.000 1.046 362 K CA 1.422 57.702 56.287 -0.013 0.000 0.952 362 K CB -0.042 32.449 32.500 -0.016 0.000 0.753 362 K HN 0.260 nan 8.250 nan 0.000 0.466 363 N N 1.016 119.688 118.700 -0.048 0.000 2.512 363 N HA -0.032 4.707 4.740 -0.001 0.000 0.183 363 N C -0.224 175.233 175.510 -0.087 0.000 1.073 363 N CA 0.720 53.708 53.050 -0.104 0.000 0.911 363 N CB 0.044 38.456 38.487 -0.125 0.000 0.964 363 N HN 0.211 nan 8.380 nan 0.000 0.447 364 T N 0.510 115.065 114.554 0.001 0.000 2.845 364 T HA 0.224 4.574 4.350 -0.001 0.000 0.288 364 T C 1.196 175.942 174.700 0.077 0.000 0.980 364 T CA -0.341 61.802 62.100 0.072 0.000 1.071 364 T CB 1.966 70.876 68.868 0.069 0.000 0.941 364 T HN 0.086 nan 8.240 nan 0.000 0.487 365 Q N 0.873 120.750 119.800 0.129 0.000 2.373 365 Q HA 0.311 4.650 4.340 -0.001 0.000 0.210 365 Q C 0.094 176.149 176.000 0.092 0.000 0.913 365 Q CA 0.329 56.206 55.803 0.122 0.000 0.911 365 Q CB 0.213 29.071 28.738 0.200 0.000 1.040 365 Q HN 0.635 nan 8.270 nan 0.000 0.521 366 L N -4.638 116.637 121.223 0.087 0.000 2.622 366 L HA 0.916 5.255 4.340 -0.001 0.000 0.258 366 L C -1.806 175.094 176.870 0.050 0.000 0.996 366 L CA -1.203 53.667 54.840 0.051 0.000 0.858 366 L CB 1.641 43.715 42.059 0.024 0.000 1.449 366 L HN -0.221 nan 8.230 nan 0.000 0.411 367 A N 1.766 124.602 122.820 0.027 0.000 2.454 367 A HA 0.977 5.297 4.320 -0.001 0.000 0.302 367 A C -1.378 176.214 177.584 0.014 0.000 1.079 367 A CA -0.628 51.422 52.037 0.022 0.000 0.731 367 A CB 1.697 20.695 19.000 -0.003 0.000 1.299 367 A HN 0.781 nan 8.150 nan 0.000 0.413 368 L N 0.704 121.940 121.223 0.022 0.000 2.431 368 L HA 0.778 5.117 4.340 -0.001 0.000 0.266 368 L C -0.161 176.683 176.870 -0.045 0.000 0.978 368 L CA -0.392 54.459 54.840 0.018 0.000 0.822 368 L CB 2.544 44.685 42.059 0.136 0.000 1.310 368 L HN 0.794 nan 8.230 nan 0.000 0.409 369 T N 0.795 115.311 114.554 -0.063 0.000 2.843 369 T HA 0.407 4.756 4.350 -0.001 0.000 0.302 369 T C -1.539 173.110 174.700 -0.085 0.000 1.232 369 T CA -0.787 61.263 62.100 -0.084 0.000 1.009 369 T CB 1.567 70.409 68.868 -0.043 0.000 1.254 369 T HN 0.715 nan 8.240 nan 0.000 0.504 370 N N 1.945 120.604 118.700 -0.068 0.000 2.479 370 N HA 0.227 4.966 4.740 -0.001 0.000 0.285 370 N C 0.762 176.291 175.510 0.032 0.000 1.075 370 N CA -0.418 52.602 53.050 -0.049 0.000 0.967 370 N CB 1.498 39.997 38.487 0.021 0.000 1.137 370 N HN 0.424 nan 8.380 nan 0.000 0.472 371 S N 1.535 117.254 115.700 0.031 0.000 2.399 371 S HA -0.077 4.393 4.470 -0.001 0.000 0.231 371 S C 1.792 176.521 174.600 0.215 0.000 1.022 371 S CA 1.318 59.581 58.200 0.105 0.000 0.983 371 S CB -0.510 62.705 63.200 0.024 0.000 0.803 371 S HN 0.862 nan 8.310 nan 0.000 0.480 372 G N 0.630 109.569 108.800 0.231 0.000 2.598 372 G HA2 0.087 4.046 3.960 -0.001 0.000 0.215 372 G HA3 0.087 4.046 3.960 -0.001 0.000 0.215 372 G C 1.099 176.059 174.900 0.100 0.000 1.131 372 G CA 0.603 45.853 45.100 0.251 0.000 0.785 372 G HN 0.553 nan 8.290 nan 0.000 0.539 373 G N 0.038 108.872 108.800 0.056 0.000 2.985 373 G HA2 0.299 4.258 3.960 -0.001 0.000 0.209 373 G HA3 0.299 4.258 3.960 -0.001 0.000 0.209 373 G C 0.344 175.428 174.900 0.307 0.000 1.165 373 G CA -0.281 44.879 45.100 0.101 0.000 0.776 373 G HN 0.387 nan 8.290 nan 0.000 0.541 374 I N 0.808 121.480 120.570 0.171 0.000 2.382 374 I HA 0.383 4.552 4.170 -0.001 0.000 0.285 374 I C 0.351 176.443 176.117 -0.041 0.000 1.007 374 I CA -0.836 60.471 61.300 0.012 0.000 1.142 374 I CB 1.906 39.938 38.000 0.055 0.000 1.289 374 I HN -0.115 nan 8.210 nan 0.000 0.453 375 R N 2.987 123.402 120.500 -0.142 0.000 2.397 375 R HA 0.351 4.691 4.340 -0.001 0.000 0.241 375 R C -0.063 176.177 176.300 -0.100 0.000 0.914 375 R CA -0.116 55.917 56.100 -0.112 0.000 1.071 375 R CB -0.016 30.175 30.300 -0.182 0.000 1.116 375 R HN 0.570 nan 8.270 nan 0.000 0.524 376 N N 0.496 119.119 118.700 -0.128 0.000 2.859 376 N HA 0.083 4.822 4.740 -0.001 0.000 0.250 376 N C -1.338 174.126 175.510 -0.076 0.000 1.341 376 N CA -0.314 52.693 53.050 -0.071 0.000 0.881 376 N CB 1.713 40.137 38.487 -0.104 0.000 1.516 376 N HN -0.227 nan 8.380 nan 0.000 0.503 377 E N 0.548 120.742 120.200 -0.011 0.000 2.392 377 E HA 0.405 4.755 4.350 -0.001 0.000 0.256 377 E C -0.177 176.414 176.600 -0.016 0.000 1.145 377 E CA 0.090 56.490 56.400 0.000 0.000 0.929 377 E CB 0.886 30.608 29.700 0.037 0.000 0.998 377 E HN 0.347 nan 8.360 nan 0.000 0.442 378 I N 3.041 123.614 120.570 0.004 0.000 2.362 378 I HA 0.279 4.449 4.170 -0.001 0.000 0.289 378 I C -2.190 173.943 176.117 0.025 0.000 0.994 378 I CA -2.475 58.833 61.300 0.014 0.000 1.158 378 I CB 1.625 39.647 38.000 0.036 0.000 1.315 378 I HN 0.215 nan 8.210 nan 0.000 0.451 379 P HA 0.074 nan 4.420 nan 0.000 0.270 379 P C -0.370 176.941 177.300 0.018 0.000 1.223 379 P CA -0.279 62.834 63.100 0.021 0.000 0.785 379 P CB 0.555 32.266 31.700 0.017 0.000 0.923 380 A N 1.610 124.442 122.820 0.021 0.000 2.507 380 A HA 0.489 4.808 4.320 -0.001 0.000 0.235 380 A C 1.024 178.612 177.584 0.007 0.000 1.070 380 A CA 1.151 53.198 52.037 0.018 0.000 0.768 380 A CB -1.250 17.762 19.000 0.021 0.000 1.011 380 A HN 0.844 nan 8.150 nan 0.000 0.502 381 G N -0.522 108.278 108.800 0.001 0.000 2.418 381 G HA2 0.429 4.388 3.960 -0.001 0.000 0.206 381 G HA3 0.429 4.388 3.960 -0.001 0.000 0.206 381 G C 0.233 175.118 174.900 -0.026 0.000 1.202 381 G CA -0.083 45.012 45.100 -0.008 0.000 1.061 381 G HN 2.310 nan 8.290 nan 0.000 0.563 382 A N -0.037 122.765 122.820 -0.030 0.000 2.454 382 A HA 0.629 4.948 4.320 -0.001 0.000 0.260 382 A C 0.430 177.980 177.584 -0.057 0.000 1.106 382 A CA 0.141 52.150 52.037 -0.047 0.000 0.780 382 A CB -0.196 18.782 19.000 -0.037 0.000 1.044 382 A HN 0.976 nan 8.150 nan 0.000 0.498 383 I N 3.077 123.590 120.570 -0.094 0.000 2.331 383 I HA 0.295 4.464 4.170 -0.001 0.000 0.292 383 I C 1.040 177.105 176.117 -0.087 0.000 0.998 383 I CA -0.152 61.091 61.300 -0.095 0.000 1.267 383 I CB 1.744 39.647 38.000 -0.161 0.000 1.386 383 I HN 0.848 nan 8.210 nan 0.000 0.476 387 G N 1.233 110.017 108.800 -0.027 0.000 2.418 387 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.217 387 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.217 387 G C 1.746 176.644 174.900 -0.002 0.000 1.158 387 G CA 2.007 47.108 45.100 0.002 0.000 0.771 387 G HN 0.518 nan 8.290 nan 0.000 0.545 388 V N 1.140 121.070 119.914 0.026 0.000 2.358 388 V HA -0.126 3.994 4.120 -0.001 0.000 0.246 388 V C 2.778 178.928 176.094 0.093 0.000 1.047 388 V CA 1.455 63.843 62.300 0.147 0.000 1.035 388 V CB -0.375 31.572 31.823 0.207 0.000 0.658 388 V HN 0.384 nan 8.190 nan 0.000 0.452 389 I N 0.076 120.578 120.570 -0.112 0.000 2.226 389 I HA -0.212 3.957 4.170 -0.001 0.000 0.245 389 I C 2.564 178.579 176.117 -0.170 0.000 1.100 389 I CA 1.561 62.693 61.300 -0.281 0.000 1.374 389 I CB -0.446 37.256 38.000 -0.497 0.000 1.057 389 I HN 0.247 nan 8.210 nan 0.000 0.413 390 S N 0.035 115.665 115.700 -0.116 0.000 2.400 390 S HA -0.176 4.294 4.470 -0.001 0.000 0.232 390 S C 2.015 176.465 174.600 -0.249 0.000 1.025 390 S CA 1.928 60.018 58.200 -0.183 0.000 0.993 390 S CB -0.334 62.781 63.200 -0.142 0.000 0.808 390 S HN 0.477 nan 8.310 nan 0.000 0.478 391 T N 0.666 115.059 114.554 -0.268 0.000 2.937 391 T HA 0.143 4.492 4.350 -0.001 0.000 0.260 391 T C 0.058 174.367 174.700 -0.652 0.000 1.051 391 T CA 0.730 62.524 62.100 -0.511 0.000 1.141 391 T CB -0.117 68.345 68.868 -0.676 0.000 0.879 391 T HN 0.297 nan 8.240 nan 0.000 0.459 392 F N 1.700 121.640 119.950 -0.018 0.000 2.449 392 F HA 0.348 4.875 4.527 -0.001 0.000 0.329 392 F C -1.966 173.826 175.800 -0.013 0.000 1.245 392 F CA -2.669 55.360 58.000 0.048 0.000 1.193 392 F CB 1.382 40.459 39.000 0.127 0.000 1.425 392 F HN -0.025 nan 8.300 nan 0.000 0.544 393 P HA 0.000 nan 4.420 nan 0.000 0.249 393 P C -0.063 177.061 177.300 -0.293 0.000 1.229 393 P CA 0.531 63.434 63.100 -0.328 0.000 0.788 393 P CB 0.086 31.435 31.700 -0.586 0.000 1.072 394 F N 2.495 122.465 119.950 0.033 0.000 2.379 394 F HA 0.336 4.862 4.527 -0.001 0.000 0.332 394 F C -1.431 174.208 175.800 -0.269 0.000 1.096 394 F CA -2.899 55.042 58.000 -0.099 0.000 1.105 394 F CB 0.279 39.211 39.000 -0.114 0.000 1.189 394 F HN -0.207 nan 8.300 nan 0.000 0.515 395 P HA 0.079 nan 4.420 nan 0.000 0.218 395 P C -1.033 175.974 177.300 -0.488 0.000 1.793 395 P CA -0.133 62.343 63.100 -1.040 0.000 0.941 395 P CB -0.278 31.075 31.700 -0.579 0.000 1.919 396 N N 1.522 120.121 118.700 -0.169 0.000 2.457 396 N HA 0.172 4.911 4.740 -0.001 0.000 0.250 396 N C 0.121 175.758 175.510 0.212 0.000 0.982 396 N CA -0.212 52.877 53.050 0.065 0.000 0.941 396 N CB 1.068 39.595 38.487 0.068 0.000 1.120 396 N HN 0.263 nan 8.380 nan 0.000 0.505 397 E N 0.662 121.019 120.200 0.261 0.000 2.343 397 E HA 0.166 4.515 4.350 -0.001 0.000 0.269 397 E C -0.053 176.645 176.600 0.164 0.000 1.047 397 E CA -0.873 55.701 56.400 0.289 0.000 0.874 397 E CB 1.389 31.238 29.700 0.249 0.000 1.033 397 E HN 0.296 nan 8.360 nan 0.000 0.409 398 L N 2.918 124.251 121.223 0.184 0.000 2.540 398 L HA 0.048 4.387 4.340 -0.001 0.000 0.276 398 L C -1.073 175.844 176.870 0.077 0.000 1.212 398 L CA 0.451 55.374 54.840 0.138 0.000 0.893 398 L CB 0.451 42.646 42.059 0.228 0.000 1.138 398 L HN 0.239 nan 8.230 nan 0.000 0.491 399 V N 4.405 124.342 119.914 0.038 0.000 2.638 399 V HA 0.619 4.738 4.120 -0.001 0.000 0.306 399 V C 0.138 176.248 176.094 0.027 0.000 1.052 399 V CA -0.167 62.147 62.300 0.022 0.000 0.885 399 V CB 1.949 33.769 31.823 -0.005 0.000 0.999 399 V HN 0.971 nan 8.190 nan 0.000 0.424 403 L N 1.573 122.787 121.223 -0.014 0.000 2.370 403 L HA 0.568 4.907 4.340 -0.001 0.000 0.266 403 L C 0.423 177.328 176.870 0.058 0.000 1.002 403 L CA -0.927 53.920 54.840 0.010 0.000 0.818 403 L CB 2.197 44.254 42.059 -0.002 0.000 1.325 403 L HN 0.647 nan 8.230 nan 0.000 0.418 404 T N -1.746 112.833 114.554 0.041 0.000 2.828 404 T HA 0.178 4.528 4.350 -0.001 0.000 0.290 404 T C 1.320 176.124 174.700 0.175 0.000 1.019 404 T CA -0.032 62.121 62.100 0.087 0.000 1.031 404 T CB 1.411 70.298 68.868 0.032 0.000 1.001 404 T HN 0.730 nan 8.240 nan 0.000 0.531 405 G N 0.208 109.185 108.800 0.295 0.000 2.450 405 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.220 405 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.220 405 G C 1.402 176.335 174.900 0.054 0.000 1.130 405 G CA 0.950 46.182 45.100 0.220 0.000 0.760 405 G HN 0.842 nan 8.290 nan 0.000 0.557 406 K N -0.084 120.344 120.400 0.046 0.000 2.057 406 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 406 K C 2.643 179.229 176.600 -0.022 0.000 1.050 406 K CA 1.306 57.598 56.287 0.007 0.000 0.935 406 K CB -0.139 32.365 32.500 0.006 0.000 0.715 406 K HN 0.375 nan 8.250 nan 0.000 0.439 407 Q N 0.442 120.225 119.800 -0.029 0.000 2.084 407 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 407 Q C 2.186 178.115 176.000 -0.118 0.000 0.978 407 Q CA 1.483 57.242 55.803 -0.073 0.000 0.844 407 Q CB -0.056 28.638 28.738 -0.073 0.000 0.898 407 Q HN 0.309 nan 8.270 nan 0.000 0.426 408 L N 0.122 121.283 121.223 -0.104 0.000 2.012 408 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 408 L C 2.654 179.457 176.870 -0.111 0.000 1.073 408 L CA 1.285 56.038 54.840 -0.146 0.000 0.748 408 L CB -0.389 41.567 42.059 -0.173 0.000 0.891 408 L HN 0.201 nan 8.230 nan 0.000 0.431 409 R N -0.573 119.882 120.500 -0.075 0.000 2.115 409 R HA -0.167 4.172 4.340 -0.001 0.000 0.230 409 R C 2.593 178.872 176.300 -0.034 0.000 1.111 409 R CA 1.453 57.524 56.100 -0.048 0.000 0.976 409 R CB -0.132 30.150 30.300 -0.029 0.000 0.870 409 R HN 0.243 nan 8.270 nan 0.000 0.445 410 S N 0.260 115.933 115.700 -0.044 0.000 2.368 410 S HA -0.067 4.402 4.470 -0.001 0.000 0.225 410 S C 1.122 175.719 174.600 -0.006 0.000 1.030 410 S CA 0.595 58.775 58.200 -0.034 0.000 0.999 410 S CB -0.129 63.037 63.200 -0.056 0.000 0.844 410 S HN 0.180 nan 8.310 nan 0.000 0.459 414 H N 1.209 120.219 119.070 -0.100 0.000 2.353 414 H HA -0.004 4.551 4.556 -0.001 0.000 0.300 414 H C 1.958 177.144 175.328 -0.236 0.000 1.090 414 H CA 2.791 58.699 56.048 -0.232 0.000 1.327 414 H CB -0.332 29.177 29.762 -0.421 0.000 1.383 414 H HN 0.241 nan 8.280 nan 0.000 0.508 415 G N -0.053 108.731 108.800 -0.027 0.000 2.446 415 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.217 415 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.217 415 G C 1.887 176.596 174.900 -0.318 0.000 1.168 415 G CA 1.083 46.171 45.100 -0.019 0.000 0.771 415 G HN 0.607 nan 8.290 nan 0.000 0.551 416 A N 0.987 123.571 122.820 -0.394 0.000 2.125 416 A HA 0.040 4.359 4.320 -0.001 0.000 0.219 416 A C 2.636 180.027 177.584 -0.320 0.000 1.156 416 A CA 2.235 53.893 52.037 -0.632 0.000 0.671 416 A CB -0.551 18.173 19.000 -0.461 0.000 0.794 416 A HN 0.778 nan 8.150 nan 0.000 0.459 417 S N -0.701 114.843 115.700 -0.260 0.000 2.453 417 S HA 0.012 4.481 4.470 -0.001 0.000 0.231 417 S C 1.040 175.541 174.600 -0.164 0.000 1.005 417 S CA 0.969 59.058 58.200 -0.184 0.000 0.949 417 S CB -0.628 62.438 63.200 -0.222 0.000 0.774 417 S HN 0.936 nan 8.310 nan 0.000 0.510 418 L N 0.538 121.624 121.223 -0.228 0.000 4.937 418 L HA -0.263 4.077 4.340 -0.001 0.000 0.422 418 L C 1.823 178.637 176.870 -0.093 0.000 1.059 418 L CA 0.547 55.297 54.840 -0.150 0.000 1.111 418 L CB -2.963 39.084 42.059 -0.020 0.000 2.033 418 L HN 0.601 nan 8.230 nan 0.000 0.708 419 S N -0.829 114.774 115.700 -0.162 0.000 2.399 419 S HA -0.093 4.376 4.470 -0.001 0.000 0.231 419 S C 1.156 175.780 174.600 0.040 0.000 1.022 419 S CA 1.417 59.589 58.200 -0.047 0.000 0.983 419 S CB -0.085 63.077 63.200 -0.062 0.000 0.803 419 S HN 0.701 nan 8.310 nan 0.000 0.480 420 N N 1.004 119.654 118.700 -0.083 0.000 2.305 420 N HA 0.325 5.064 4.740 -0.001 0.000 0.248 420 N C 0.436 175.776 175.510 -0.283 0.000 1.290 420 N CA 0.387 53.464 53.050 0.045 0.000 0.873 420 N CB 1.342 39.915 38.487 0.143 0.000 1.261 420 N HN 0.574 nan 8.380 nan 0.000 0.504 421 G N 1.336 109.718 108.800 -0.697 0.000 2.846 421 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.660 421 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.660 421 G C -0.017 174.652 174.900 -0.384 0.000 1.464 421 G CA -0.330 44.111 45.100 -1.098 0.000 0.891 421 G HN 0.245 nan 8.290 nan 0.000 0.552 422 V N -0.659 119.075 119.914 -0.301 0.000 3.133 422 V HA 0.722 4.841 4.120 -0.001 0.000 0.305 422 V C 1.290 177.346 176.094 -0.064 0.000 1.084 422 V CA -0.851 61.365 62.300 -0.140 0.000 1.089 422 V CB 1.121 32.852 31.823 -0.154 0.000 1.073 422 V HN 0.880 nan 8.190 nan 0.000 0.477 423 L N 2.689 123.887 121.223 -0.041 0.000 2.380 423 L HA 0.321 4.661 4.340 -0.001 0.000 0.273 423 L C 0.501 177.343 176.870 -0.047 0.000 1.138 423 L CA -0.166 54.612 54.840 -0.103 0.000 0.832 423 L CB 0.685 42.661 42.059 -0.140 0.000 1.124 423 L HN 0.712 nan 8.230 nan 0.000 0.454 424 Q N 2.883 122.664 119.800 -0.032 0.000 2.259 424 Q HA 0.466 4.805 4.340 -0.001 0.000 0.249 424 Q C -0.345 175.651 176.000 -0.008 0.000 0.914 424 Q CA -0.297 55.507 55.803 0.001 0.000 0.904 424 Q CB 2.337 31.093 28.738 0.030 0.000 1.213 424 Q HN 0.520 nan 8.270 nan 0.000 0.428 425 V N -1.594 118.320 119.914 0.000 0.000 3.102 425 V HA 0.762 4.881 4.120 -0.001 0.000 0.312 425 V C -0.079 176.010 176.094 -0.008 0.000 1.135 425 V CA -0.997 61.299 62.300 -0.006 0.000 1.022 425 V CB 1.890 33.710 31.823 -0.004 0.000 1.056 425 V HN 0.840 nan 8.190 nan 0.000 0.436 426 S N 1.192 116.886 115.700 -0.010 0.000 2.632 426 S HA 0.410 4.880 4.470 -0.001 0.000 0.267 426 S C 0.008 174.609 174.600 0.001 0.000 1.276 426 S CA -0.588 57.604 58.200 -0.013 0.000 0.998 426 S CB 0.829 64.022 63.200 -0.011 0.000 0.953 426 S HN 1.107 nan 8.310 nan 0.000 0.547 427 K N 0.014 120.417 120.400 0.005 0.000 2.524 427 K HA 0.280 4.599 4.320 -0.001 0.000 0.279 427 K C 1.297 177.909 176.600 0.020 0.000 0.993 427 K CA 1.086 57.384 56.287 0.018 0.000 1.030 427 K CB -0.534 31.982 32.500 0.028 0.000 0.891 427 K HN 1.141 nan 8.250 nan 0.000 0.488 428 G N 2.711 111.523 108.800 0.021 0.000 2.254 428 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.225 428 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.225 428 G C -0.482 174.425 174.900 0.011 0.000 1.003 428 G CA 0.013 45.125 45.100 0.020 0.000 0.622 428 G HN 0.543 nan 8.290 nan 0.000 0.507 429 L N 1.730 122.956 121.223 0.004 0.000 2.292 429 L HA 0.844 5.183 4.340 -0.001 0.000 0.284 429 L C 0.189 177.059 176.870 0.001 0.000 1.065 429 L CA -0.335 54.499 54.840 -0.010 0.000 0.806 429 L CB 1.351 43.397 42.059 -0.022 0.000 1.175 429 L HN 0.419 nan 8.230 nan 0.000 0.431 433 Y N -0.982 119.318 120.300 0.001 0.000 2.633 433 Y HA 0.753 5.302 4.550 -0.001 0.000 0.339 433 Y C -1.069 174.830 175.900 -0.001 0.000 1.045 433 Y CA -1.022 57.078 58.100 -0.001 0.000 1.098 433 Y CB 1.849 40.308 38.460 -0.002 0.000 1.296 433 Y HN 0.385 nan 8.280 nan 0.000 0.494 434 D N 0.784 121.183 120.400 -0.001 0.000 2.469 434 D HA 0.170 4.809 4.640 -0.001 0.000 0.251 434 D C 0.073 176.389 176.300 0.027 0.000 1.173 434 D CA -0.366 53.578 54.000 -0.094 0.000 0.882 434 D CB 1.737 42.514 40.800 -0.038 0.000 1.129 434 D HN 0.710 nan 8.370 nan 0.000 0.549 435 S N 1.439 117.133 115.700 -0.011 0.000 2.603 435 S HA -0.110 4.360 4.470 -0.001 0.000 0.229 435 S C 1.514 176.146 174.600 0.053 0.000 0.972 435 S CA 0.640 58.909 58.200 0.115 0.000 0.935 435 S CB -0.277 63.008 63.200 0.142 0.000 0.769 435 S HN 0.349 nan 8.310 nan 0.000 0.536 436 S N 0.329 116.039 115.700 0.017 0.000 2.558 436 S HA 0.240 4.709 4.470 -0.001 0.000 0.217 436 S C 0.485 175.095 174.600 0.016 0.000 0.975 436 S CA -0.493 57.714 58.200 0.011 0.000 0.912 436 S CB -0.212 62.986 63.200 -0.004 0.000 0.776 436 S HN 0.438 nan 8.310 nan 0.000 0.526 437 K N 1.977 122.393 120.400 0.027 0.000 2.090 437 K HA 0.423 4.743 4.320 -0.001 0.000 0.250 437 K C -2.867 173.749 176.600 0.027 0.000 1.004 437 K CA -2.371 53.932 56.287 0.026 0.000 0.919 437 K CB 0.116 32.635 32.500 0.032 0.000 1.045 437 K HN 0.062 nan 8.250 nan 0.000 0.471 438 P HA -0.034 nan 4.420 nan 0.000 0.266 438 P C -0.523 176.785 177.300 0.013 0.000 1.195 438 P CA -0.249 62.858 63.100 0.011 0.000 0.768 438 P CB 0.364 32.068 31.700 0.006 0.000 0.838 439 V N 2.989 122.906 119.914 0.005 0.000 2.681 439 V HA 0.123 4.242 4.120 -0.001 0.000 0.306 439 V C 1.774 177.868 176.094 -0.001 0.000 1.077 439 V CA 2.241 64.539 62.300 -0.003 0.000 1.224 439 V CB -0.628 31.186 31.823 -0.015 0.000 0.879 439 V HN 1.068 nan 8.190 nan 0.000 0.494 440 G N 3.875 112.673 108.800 -0.002 0.000 2.213 440 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.236 440 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.236 440 G C 0.369 175.273 174.900 0.006 0.000 0.991 440 G CA 0.411 45.511 45.100 0.001 0.000 0.629 440 G HN 0.700 nan 8.290 nan 0.000 0.517 441 Q N -0.932 118.876 119.800 0.014 0.000 2.089 441 Q HA 0.354 4.694 4.340 -0.001 0.000 0.248 441 Q C 1.811 177.832 176.000 0.035 0.000 0.828 441 Q CA -0.421 55.393 55.803 0.020 0.000 1.102 441 Q CB 0.652 29.398 28.738 0.015 0.000 1.221 441 Q HN 0.466 nan 8.270 nan 0.000 0.455 442 R N -0.367 120.163 120.500 0.050 0.000 2.223 442 R HA 0.122 4.461 4.340 -0.001 0.000 0.198 442 R C 0.438 176.816 176.300 0.131 0.000 0.984 442 R CA 0.175 56.336 56.100 0.100 0.000 1.018 442 R CB 0.644 31.032 30.300 0.148 0.000 0.945 442 R HN -0.027 nan 8.270 nan 0.000 0.479 443 V N 2.487 122.455 119.914 0.090 0.000 2.521 443 V HA -0.051 4.068 4.120 -0.001 0.000 0.286 443 V C 1.259 177.394 176.094 0.068 0.000 1.034 443 V CA 0.404 62.760 62.300 0.093 0.000 1.045 443 V CB 1.033 32.885 31.823 0.048 0.000 0.974 443 V HN 0.164 nan 8.190 nan 0.000 0.480 444 I N 3.289 123.902 120.570 0.072 0.000 2.899 444 I HA 0.121 4.290 4.170 -0.001 0.000 0.257 444 I C 1.121 177.257 176.117 0.032 0.000 1.115 444 I CA 1.077 62.402 61.300 0.041 0.000 1.451 444 I CB -0.331 37.686 38.000 0.029 0.000 1.251 444 I HN 0.764 nan 8.210 nan 0.000 0.456 445 T N 0.125 114.701 114.554 0.036 0.000 2.906 445 T HA 0.708 5.058 4.350 -0.001 0.000 0.295 445 T C -1.057 173.658 174.700 0.024 0.000 1.061 445 T CA -0.679 61.436 62.100 0.025 0.000 1.000 445 T CB 2.760 71.640 68.868 0.020 0.000 1.103 445 T HN -0.011 nan 8.240 nan 0.000 0.486 446 L N 2.092 123.321 121.223 0.009 0.000 2.661 446 L HA 0.663 5.003 4.340 -0.001 0.000 0.263 446 L C -0.643 176.215 176.870 -0.020 0.000 0.956 446 L CA 0.098 54.934 54.840 -0.008 0.000 0.918 446 L CB 1.731 43.777 42.059 -0.022 0.000 1.280 446 L HN 1.252 nan 8.230 nan 0.000 0.416 447 T N 2.027 116.569 114.554 -0.020 0.000 2.906 447 T HA 0.773 5.122 4.350 -0.001 0.000 0.295 447 T C -1.283 173.400 174.700 -0.028 0.000 1.061 447 T CA -0.731 61.360 62.100 -0.015 0.000 1.000 447 T CB 1.859 70.731 68.868 0.006 0.000 1.103 447 T HN 0.627 nan 8.240 nan 0.000 0.486 448 L N 2.577 123.789 121.223 -0.018 0.000 2.349 448 L HA 0.567 4.907 4.340 -0.001 0.000 0.278 448 L C -0.176 176.713 176.870 0.031 0.000 0.996 448 L CA 0.100 54.936 54.840 -0.007 0.000 0.825 448 L CB 0.726 42.767 42.059 -0.029 0.000 1.243 448 L HN 0.853 nan 8.230 nan 0.000 0.412 449 N N 4.334 123.052 118.700 0.029 0.000 2.727 449 N HA -0.229 4.510 4.740 -0.001 0.000 0.249 449 N C 0.993 176.523 175.510 0.032 0.000 1.048 449 N CA 1.273 54.343 53.050 0.034 0.000 0.714 449 N CB -1.241 37.271 38.487 0.043 0.000 0.959 449 N HN 1.300 nan 8.380 nan 0.000 0.544 450 G N -1.390 107.426 108.800 0.026 0.000 2.234 450 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.260 450 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.260 450 G C 0.021 174.937 174.900 0.028 0.000 0.987 450 G CA 0.922 46.037 45.100 0.025 0.000 0.625 450 G HN 0.534 nan 8.290 nan 0.000 0.532 451 K N 1.440 121.862 120.400 0.037 0.000 2.183 451 K HA 0.498 4.818 4.320 -0.001 0.000 0.274 451 K C -2.582 174.044 176.600 0.043 0.000 1.009 451 K CA -2.070 54.243 56.287 0.045 0.000 0.888 451 K CB 1.612 34.151 32.500 0.064 0.000 1.078 451 K HN 0.005 nan 8.250 nan 0.000 0.459 452 P HA -0.045 nan 4.420 nan 0.000 0.266 452 P C -0.249 177.081 177.300 0.051 0.000 1.195 452 P CA -0.137 62.982 63.100 0.032 0.000 0.768 452 P CB 0.353 32.071 31.700 0.031 0.000 0.838 453 I N 3.011 123.587 120.570 0.009 0.000 2.683 453 I HA -0.015 4.154 4.170 -0.001 0.000 0.286 453 I C 1.066 177.239 176.117 0.092 0.000 1.175 453 I CA 0.687 61.990 61.300 0.005 0.000 1.429 453 I CB -0.626 37.280 38.000 -0.157 0.000 1.371 453 I HN 0.398 nan 8.210 nan 0.000 0.569 454 E N 4.885 125.213 120.200 0.214 0.000 2.183 454 E HA 0.152 4.502 4.350 -0.001 0.000 0.271 454 E C 0.080 176.770 176.600 0.149 0.000 0.919 454 E CA -0.714 55.774 56.400 0.146 0.000 0.781 454 E CB 1.586 31.356 29.700 0.116 0.000 1.140 454 E HN 0.402 nan 8.360 nan 0.000 0.402 455 D N 2.147 122.596 120.400 0.081 0.000 2.116 455 D HA -0.188 4.451 4.640 -0.001 0.000 0.193 455 D C 1.504 177.837 176.300 0.056 0.000 0.998 455 D CA 1.654 55.690 54.000 0.061 0.000 0.836 455 D CB 0.072 40.891 40.800 0.031 0.000 0.951 455 D HN 0.535 nan 8.370 nan 0.000 0.449 456 A N -0.299 122.542 122.820 0.035 0.000 2.195 456 A HA 0.094 4.414 4.320 -0.001 0.000 0.210 456 A C 1.089 178.656 177.584 -0.028 0.000 1.165 456 A CA 0.213 52.253 52.037 0.005 0.000 0.806 456 A CB -0.021 18.977 19.000 -0.004 0.000 0.847 456 A HN 0.087 nan 8.150 nan 0.000 0.482 457 T N 0.752 115.285 114.554 -0.036 0.000 2.919 457 T HA 0.373 4.723 4.350 -0.001 0.000 0.302 457 T C -0.065 174.448 174.700 -0.311 0.000 1.031 457 T CA 0.083 62.059 62.100 -0.207 0.000 1.127 457 T CB 1.280 69.974 68.868 -0.291 0.000 0.952 457 T HN -0.003 nan 8.240 nan 0.000 0.540 458 V N 4.154 123.847 119.914 -0.368 0.000 2.439 458 V HA 0.355 4.475 4.120 -0.001 0.000 0.282 458 V C -0.806 174.991 176.094 -0.495 0.000 1.039 458 V CA -0.604 61.516 62.300 -0.302 0.000 0.913 458 V CB 0.341 32.037 31.823 -0.211 0.000 0.983 458 V HN 0.742 nan 8.190 nan 0.000 0.460 459 Y N 2.553 122.795 120.300 -0.095 0.000 2.429 459 Y HA 0.534 5.083 4.550 -0.001 0.000 0.342 459 Y C 0.144 175.968 175.900 -0.127 0.000 1.004 459 Y CA -0.788 57.289 58.100 -0.038 0.000 1.075 459 Y CB 1.369 39.828 38.460 -0.002 0.000 1.214 459 Y HN 0.630 nan 8.280 nan 0.000 0.455 460 H N 3.445 122.604 119.070 0.149 0.000 2.652 460 H HA 0.480 5.035 4.556 -0.001 0.000 0.298 460 H C -0.463 174.929 175.328 0.106 0.000 1.076 460 H CA -0.500 55.606 56.048 0.096 0.000 1.360 460 H CB 0.407 30.203 29.762 0.056 0.000 1.421 460 H HN 0.601 nan 8.280 nan 0.000 0.464 461 I N 0.125 120.793 120.570 0.164 0.000 2.892 461 I HA 0.899 5.069 4.170 -0.001 0.000 0.306 461 I C -0.819 175.365 176.117 0.113 0.000 1.078 461 I CA -1.232 60.150 61.300 0.136 0.000 1.032 461 I CB 2.306 40.387 38.000 0.134 0.000 1.229 461 I HN 0.539 nan 8.210 nan 0.000 0.435 462 A N 2.637 125.510 122.820 0.088 0.000 2.365 462 A HA 0.888 5.207 4.320 -0.001 0.000 0.318 462 A C -0.327 177.277 177.584 0.033 0.000 1.091 462 A CA -0.268 51.803 52.037 0.057 0.000 0.763 462 A CB 1.656 20.681 19.000 0.042 0.000 1.248 462 A HN 0.975 nan 8.150 nan 0.000 0.442 463 T N -0.348 114.198 114.554 -0.014 0.000 2.606 463 T HA 0.606 4.956 4.350 -0.001 0.000 0.289 463 T C -1.467 173.175 174.700 -0.098 0.000 1.113 463 T CA -0.087 61.949 62.100 -0.106 0.000 1.106 463 T CB 0.967 69.665 68.868 -0.283 0.000 1.611 463 T HN 0.988 nan 8.240 nan 0.000 0.471 464 Q N -0.132 119.577 119.800 -0.152 0.000 2.587 464 Q HA 0.647 4.986 4.340 -0.001 0.000 0.293 464 Q C 0.927 176.874 176.000 -0.088 0.000 1.083 464 Q CA -0.238 55.527 55.803 -0.063 0.000 0.792 464 Q CB 0.643 29.379 28.738 -0.002 0.000 1.484 464 Q HN 0.531 nan 8.270 nan 0.000 0.446 465 S N -0.708 114.990 115.700 -0.003 0.000 2.423 465 S HA -0.127 4.343 4.470 -0.001 0.000 0.231 465 S C 1.463 176.044 174.600 -0.031 0.000 1.014 465 S CA 0.885 59.079 58.200 -0.010 0.000 0.965 465 S CB -0.561 62.669 63.200 0.051 0.000 0.785 465 S HN 0.535 nan 8.310 nan 0.000 0.495 466 F N 2.507 122.372 119.950 -0.142 0.000 2.069 466 F HA 0.035 4.561 4.527 -0.001 0.000 0.298 466 F C 1.936 177.623 175.800 -0.188 0.000 1.113 466 F CA 1.365 59.265 58.000 -0.167 0.000 1.214 466 F CB -0.405 38.464 39.000 -0.219 0.000 0.978 466 F HN 0.138 nan 8.300 nan 0.000 0.474 467 L N -0.170 120.877 121.223 -0.295 0.000 2.093 467 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 467 L C 2.789 179.306 176.870 -0.588 0.000 1.085 467 L CA 1.013 55.508 54.840 -0.575 0.000 0.755 467 L CB -1.105 40.420 42.059 -0.891 0.000 0.904 467 L HN 0.276 nan 8.230 nan 0.000 0.435 468 A N -0.369 122.181 122.820 -0.451 0.000 1.978 468 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 468 A C 1.601 179.133 177.584 -0.088 0.000 1.170 468 A CA 1.822 53.720 52.037 -0.232 0.000 0.636 468 A CB -0.388 18.530 19.000 -0.136 0.000 0.810 468 A HN 0.352 nan 8.150 nan 0.000 0.448 469 D N -1.211 119.102 120.400 -0.146 0.000 2.328 469 D HA 0.296 4.935 4.640 -0.001 0.000 0.226 469 D C 1.213 177.426 176.300 -0.145 0.000 1.066 469 D CA 1.006 54.934 54.000 -0.119 0.000 0.861 469 D CB -0.038 40.685 40.800 -0.128 0.000 0.912 469 D HN 0.601 nan 8.370 nan 0.000 0.521 470 G N 0.338 109.059 108.800 -0.132 0.000 2.132 470 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.234 470 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.234 470 G C 0.762 175.526 174.900 -0.226 0.000 0.989 470 G CA -0.186 44.866 45.100 -0.081 0.000 0.676 470 G HN 0.576 nan 8.290 nan 0.000 0.522 471 G N -0.795 107.659 108.800 -0.576 0.000 2.559 471 G HA2 0.450 4.410 3.960 -0.001 0.000 0.235 471 G HA3 0.450 4.410 3.960 -0.001 0.000 0.235 471 G C 0.621 175.343 174.900 -0.297 0.000 1.266 471 G CA 0.943 45.431 45.100 -1.020 0.000 0.847 471 G HN 0.819 nan 8.290 nan 0.000 0.583 472 D N -0.604 119.796 120.400 -0.001 0.000 3.012 472 D HA -0.185 4.454 4.640 -0.001 0.000 0.222 472 D C 1.616 178.015 176.300 0.166 0.000 1.167 472 D CA 2.655 56.837 54.000 0.303 0.000 0.854 472 D CB -1.274 39.928 40.800 0.669 0.000 1.107 472 D HN 1.769 nan 8.370 nan 0.000 0.421 473 G N -0.884 107.895 108.800 -0.036 0.000 2.155 473 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.257 473 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.257 473 G C 0.320 174.821 174.900 -0.664 0.000 0.983 473 G CA 0.138 45.070 45.100 -0.279 0.000 0.676 473 G HN 0.422 nan 8.290 nan 0.000 0.528 474 F N 2.308 122.153 119.950 -0.175 0.000 2.661 474 F HA 0.310 4.836 4.527 -0.001 0.000 0.356 474 F C 2.044 177.809 175.800 -0.058 0.000 1.244 474 F CA 0.759 58.713 58.000 -0.076 0.000 1.290 474 F CB 0.052 39.225 39.000 0.289 0.000 1.677 474 F HN 0.042 nan 8.300 nan 0.000 0.649 475 T N 0.135 114.631 114.554 -0.097 0.000 2.788 475 T HA -0.228 4.121 4.350 -0.001 0.000 0.268 475 T C 2.354 177.043 174.700 -0.019 0.000 1.044 475 T CA 1.307 63.372 62.100 -0.058 0.000 1.139 475 T CB -0.078 68.723 68.868 -0.113 0.000 0.867 475 T HN 0.569 nan 8.240 nan 0.000 0.454 476 A N 0.934 123.710 122.820 -0.074 0.000 2.076 476 A HA -0.031 4.288 4.320 -0.001 0.000 0.220 476 A C 1.832 179.356 177.584 -0.099 0.000 1.160 476 A CA 1.117 53.087 52.037 -0.111 0.000 0.653 476 A CB -1.061 17.836 19.000 -0.171 0.000 0.801 476 A HN 0.461 nan 8.150 nan 0.000 0.455 477 F N 1.003 120.954 119.950 0.001 0.000 2.202 477 F HA -0.179 4.348 4.527 -0.001 0.000 0.301 477 F C 2.827 178.611 175.800 -0.026 0.000 1.082 477 F CA 1.780 59.771 58.000 -0.016 0.000 1.313 477 F CB -0.896 38.086 39.000 -0.030 0.000 1.024 477 F HN 0.394 nan 8.300 nan 0.000 0.495 478 T N -2.902 111.736 114.554 0.140 0.000 3.072 478 T HA -0.106 4.243 4.350 -0.001 0.000 0.266 478 T C 1.358 176.080 174.700 0.037 0.000 1.127 478 T CA 1.140 63.279 62.100 0.064 0.000 1.107 478 T CB -0.373 68.509 68.868 0.024 0.000 0.910 478 T HN 0.365 nan 8.240 nan 0.000 0.513 479 E N 0.897 121.113 120.200 0.026 0.000 2.479 479 E HA 0.274 4.623 4.350 -0.001 0.000 0.193 479 E C 1.239 177.845 176.600 0.010 0.000 1.049 479 E CA -0.335 56.068 56.400 0.006 0.000 0.870 479 E CB 0.084 29.775 29.700 -0.015 0.000 0.944 479 E HN 0.638 nan 8.360 nan 0.000 0.492 480 G N 1.604 110.425 108.800 0.035 0.000 2.432 480 G HA2 0.036 3.996 3.960 -0.001 0.000 0.239 480 G HA3 0.036 3.996 3.960 -0.001 0.000 0.239 480 G C -0.237 174.676 174.900 0.021 0.000 1.291 480 G CA -0.177 44.945 45.100 0.036 0.000 0.863 480 G HN -0.011 nan 8.290 nan 0.000 0.560 481 K N 0.705 121.108 120.400 0.004 0.000 2.211 481 K HA 0.599 4.918 4.320 -0.001 0.000 0.237 481 K C 0.626 177.227 176.600 0.002 0.000 1.002 481 K CA -0.106 56.180 56.287 -0.002 0.000 0.885 481 K CB 1.619 34.109 32.500 -0.016 0.000 1.136 481 K HN 0.981 nan 8.250 nan 0.000 0.448 482 A N 1.457 124.280 122.820 0.006 0.000 2.610 482 A HA -0.235 4.085 4.320 -0.001 0.000 0.299 482 A C -0.516 177.084 177.584 0.026 0.000 1.487 482 A CA 0.875 52.922 52.037 0.016 0.000 0.743 482 A CB -1.600 17.412 19.000 0.019 0.000 1.070 482 A HN 0.625 nan 8.150 nan 0.000 0.439 483 R N -0.200 120.315 120.500 0.024 0.000 2.390 483 R HA 0.504 4.844 4.340 -0.001 0.000 0.291 483 R C 0.083 176.398 176.300 0.025 0.000 1.070 483 R CA 0.010 56.127 56.100 0.029 0.000 1.014 483 R CB 0.562 30.879 30.300 0.027 0.000 1.007 483 R HN 0.584 nan 8.270 nan 0.000 0.466 484 N N 2.383 121.099 118.700 0.026 0.000 2.397 484 N HA 0.314 5.054 4.740 -0.001 0.000 0.291 484 N C -1.698 173.823 175.510 0.019 0.000 1.065 484 N CA -0.584 52.477 53.050 0.019 0.000 0.884 484 N CB 1.379 39.875 38.487 0.015 0.000 1.551 484 N HN 0.586 nan 8.380 nan 0.000 0.487 485 I N 2.260 122.841 120.570 0.018 0.000 2.404 485 I HA 0.481 4.651 4.170 -0.001 0.000 0.293 485 I C -0.709 175.419 176.117 0.019 0.000 0.992 485 I CA -0.381 60.935 61.300 0.027 0.000 1.149 485 I CB 1.512 39.533 38.000 0.035 0.000 1.315 485 I HN 0.465 nan 8.210 nan 0.000 0.446 486 T N 6.641 121.212 114.554 0.028 0.000 2.811 486 T HA 0.330 4.679 4.350 -0.001 0.000 0.309 486 T C 0.393 175.114 174.700 0.035 0.000 1.005 486 T CA -0.417 61.685 62.100 0.003 0.000 0.955 486 T CB 0.531 69.371 68.868 -0.047 0.000 0.970 486 T HN 0.807 nan 8.240 nan 0.000 0.496 487 G N 1.175 109.983 108.800 0.014 0.000 2.305 487 G HA2 0.388 4.348 3.960 -0.001 0.000 0.243 487 G HA3 0.388 4.348 3.960 -0.001 0.000 0.243 487 G C 1.171 176.054 174.900 -0.028 0.000 1.288 487 G CA 0.059 45.173 45.100 0.023 0.000 0.901 487 G HN 1.206 nan 8.290 nan 0.000 0.516 488 G N 0.864 109.629 108.800 -0.058 0.000 2.184 488 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.264 488 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.264 488 G C 0.286 174.759 174.900 -0.711 0.000 0.975 488 G CA 0.937 45.828 45.100 -0.348 0.000 0.642 488 G HN 1.179 nan 8.290 nan 0.000 0.536 489 Y N 1.819 121.828 120.300 -0.485 0.000 2.595 489 Y HA 0.655 5.205 4.550 -0.001 0.000 0.336 489 Y C 0.061 175.905 175.900 -0.092 0.000 0.996 489 Y CA -1.584 56.298 58.100 -0.364 0.000 1.260 489 Y CB 0.038 38.370 38.460 -0.214 0.000 1.108 489 Y HN 0.160 nan 8.280 nan 0.000 0.509 490 Y N 2.834 123.064 120.300 -0.117 0.000 2.480 490 Y HA 0.245 4.795 4.550 -0.001 0.000 0.323 490 Y C 1.360 177.017 175.900 -0.406 0.000 1.267 490 Y CA -1.393 56.559 58.100 -0.247 0.000 1.336 490 Y CB 0.021 38.259 38.460 -0.370 0.000 1.361 490 Y HN 0.275 nan 8.280 nan 0.000 0.518 491 V N 0.444 120.333 119.914 -0.041 0.000 2.324 491 V HA -0.374 3.745 4.120 -0.001 0.000 0.250 491 V C 1.958 177.913 176.094 -0.231 0.000 1.060 491 V CA 2.587 64.801 62.300 -0.143 0.000 1.042 491 V CB -1.119 30.663 31.823 -0.068 0.000 0.650 491 V HN 0.957 nan 8.190 nan 0.000 0.450 492 Y N 0.363 120.587 120.300 -0.127 0.000 2.293 492 Y HA -0.144 4.405 4.550 -0.001 0.000 0.291 492 Y C 2.309 178.095 175.900 -0.190 0.000 1.137 492 Y CA 1.548 59.569 58.100 -0.131 0.000 1.202 492 Y CB -1.353 37.086 38.460 -0.036 0.000 0.990 492 Y HN 0.359 nan 8.280 nan 0.000 0.537 493 H N 0.621 119.350 119.070 -0.568 0.000 2.353 493 H HA -0.021 4.535 4.556 -0.001 0.000 0.300 493 H C 2.376 177.453 175.328 -0.418 0.000 1.090 493 H CA 1.307 57.031 56.048 -0.539 0.000 1.327 493 H CB -0.111 29.031 29.762 -1.035 0.000 1.383 493 H HN 0.511 nan 8.280 nan 0.000 0.508 494 A N 0.507 123.096 122.820 -0.385 0.000 1.933 494 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 494 A C 2.533 180.107 177.584 -0.017 0.000 1.175 494 A CA 1.599 53.579 52.037 -0.095 0.000 0.628 494 A CB -0.727 18.231 19.000 -0.071 0.000 0.814 494 A HN 0.236 nan 8.150 nan 0.000 0.444 495 V N -0.548 119.320 119.914 -0.077 0.000 2.307 495 V HA -0.199 3.920 4.120 -0.001 0.000 0.245 495 V C 2.568 178.800 176.094 0.231 0.000 1.045 495 V CA 1.833 64.132 62.300 -0.001 0.000 1.024 495 V CB -0.723 31.066 31.823 -0.057 0.000 0.651 495 V HN 0.360 nan 8.190 nan 0.000 0.449 496 V N 0.297 120.359 119.914 0.246 0.000 2.287 496 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 496 V C 2.278 178.538 176.094 0.278 0.000 1.053 496 V CA 2.286 64.771 62.300 0.309 0.000 1.027 496 V CB -0.700 31.268 31.823 0.243 0.000 0.646 496 V HN 0.554 nan 8.190 nan 0.000 0.447 497 D N -1.411 119.116 120.400 0.211 0.000 2.218 497 D HA -0.175 4.464 4.640 -0.001 0.000 0.204 497 D C 1.874 178.262 176.300 0.146 0.000 0.976 497 D CA 1.112 55.225 54.000 0.188 0.000 0.853 497 D CB -0.233 40.710 40.800 0.238 0.000 0.939 497 D HN 0.581 nan 8.370 nan 0.000 0.481 498 Y N 0.248 120.526 120.300 -0.037 0.000 2.181 498 Y HA -0.237 4.313 4.550 -0.001 0.000 0.288 498 Y C 1.849 177.608 175.900 -0.234 0.000 1.146 498 Y CA 1.474 59.454 58.100 -0.199 0.000 1.164 498 Y CB -0.387 37.843 38.460 -0.382 0.000 0.982 498 Y HN -0.133 nan 8.280 nan 0.000 0.515 499 F N 0.154 120.164 119.950 0.100 0.000 2.234 499 F HA -0.019 4.507 4.527 -0.001 0.000 0.296 499 F C 2.445 178.240 175.800 -0.007 0.000 1.089 499 F CA 1.492 59.505 58.000 0.021 0.000 1.343 499 F CB -0.688 38.364 39.000 0.087 0.000 1.040 499 F HN -0.103 nan 8.300 nan 0.000 0.498 500 K N 0.715 121.231 120.400 0.193 0.000 2.152 500 K HA -0.116 4.203 4.320 -0.001 0.000 0.206 500 K C 1.978 178.604 176.600 0.044 0.000 1.048 500 K CA 1.146 57.499 56.287 0.111 0.000 0.933 500 K CB -0.228 32.339 32.500 0.111 0.000 0.721 500 K HN 0.198 nan 8.250 nan 0.000 0.447 501 A N -0.161 122.656 122.820 -0.006 0.000 2.235 501 A HA 0.159 4.478 4.320 -0.001 0.000 0.208 501 A C 1.379 178.914 177.584 -0.081 0.000 1.172 501 A CA 0.968 52.973 52.037 -0.053 0.000 0.786 501 A CB -0.422 18.526 19.000 -0.088 0.000 0.804 501 A HN 0.585 nan 8.150 nan 0.000 0.479 502 G N -0.983 107.778 108.800 -0.064 0.000 2.176 502 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.232 502 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.232 502 G C 0.006 174.846 174.900 -0.101 0.000 0.986 502 G CA -0.015 45.057 45.100 -0.047 0.000 0.643 502 G HN 0.505 nan 8.290 nan 0.000 0.522 503 N N 1.467 120.001 118.700 -0.278 0.000 2.453 503 N HA 0.443 5.183 4.740 -0.001 0.000 0.253 503 N C 0.663 176.081 175.510 -0.153 0.000 1.252 503 N CA 1.272 54.074 53.050 -0.413 0.000 0.917 503 N CB 1.073 38.848 38.487 -1.186 0.000 1.117 503 N HN 0.668 nan 8.380 nan 0.000 0.442 504 T N -2.541 112.012 114.554 -0.001 0.000 2.888 504 T HA 0.563 4.913 4.350 -0.001 0.000 0.288 504 T C 0.391 175.260 174.700 0.281 0.000 1.063 504 T CA -0.816 61.424 62.100 0.234 0.000 1.010 504 T CB 0.727 69.698 68.868 0.173 0.000 1.214 504 T HN 0.251 nan 8.240 nan 0.000 0.533 505 I N 2.650 123.437 120.570 0.363 0.000 2.533 505 I HA 0.285 4.455 4.170 -0.001 0.000 0.284 505 I C 1.237 177.461 176.117 0.178 0.000 1.109 505 I CA -0.110 61.362 61.300 0.287 0.000 1.412 505 I CB 0.983 39.151 38.000 0.280 0.000 1.396 505 I HN 0.914 nan 8.210 nan 0.000 0.543 506 T N 0.507 115.149 114.554 0.148 0.000 2.944 506 T HA 0.258 4.607 4.350 -0.001 0.000 0.284 506 T C 0.710 175.464 174.700 0.089 0.000 1.010 506 T CA -0.850 61.314 62.100 0.106 0.000 1.025 506 T CB 1.645 70.570 68.868 0.094 0.000 1.079 506 T HN 0.462 nan 8.240 nan 0.000 0.516 507 D N 0.009 120.452 120.400 0.072 0.000 2.144 507 D HA -0.117 4.522 4.640 -0.001 0.000 0.199 507 D C 1.764 178.100 176.300 0.059 0.000 0.984 507 D CA 0.937 54.974 54.000 0.062 0.000 0.834 507 D CB -0.014 40.817 40.800 0.051 0.000 0.955 507 D HN 0.747 nan 8.370 nan 0.000 0.465 508 E N 0.922 121.157 120.200 0.057 0.000 2.152 508 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 508 E C 1.780 178.414 176.600 0.056 0.000 0.983 508 E CA 0.632 57.063 56.400 0.052 0.000 0.818 508 E CB 0.141 29.869 29.700 0.047 0.000 0.758 508 E HN 0.380 nan 8.360 nan 0.000 0.467 509 Q N 0.040 119.880 119.800 0.066 0.000 2.084 509 Q HA -0.080 4.259 4.340 -0.001 0.000 0.202 509 Q C 2.463 178.507 176.000 0.074 0.000 0.978 509 Q CA 1.227 57.071 55.803 0.069 0.000 0.844 509 Q CB 0.012 28.799 28.738 0.083 0.000 0.898 509 Q HN 0.297 nan 8.270 nan 0.000 0.426 510 L N 0.284 121.553 121.223 0.077 0.000 2.109 510 L HA -0.124 4.216 4.340 -0.001 0.000 0.207 510 L C 1.526 178.435 176.870 0.064 0.000 1.086 510 L CA 0.782 55.667 54.840 0.075 0.000 0.760 510 L CB -0.096 42.007 42.059 0.074 0.000 0.910 510 L HN 0.286 nan 8.230 nan 0.000 0.437 511 N N -0.894 117.841 118.700 0.057 0.000 2.210 511 N HA 0.090 4.830 4.740 -0.001 0.000 0.203 511 N C 0.891 176.429 175.510 0.046 0.000 1.175 511 N CA 0.350 53.429 53.050 0.050 0.000 0.894 511 N CB 0.818 39.331 38.487 0.045 0.000 1.041 511 N HN 0.171 nan 8.380 nan 0.000 0.506 515 V N 2.517 122.473 119.914 0.069 0.000 2.487 515 V HA 0.496 4.615 4.120 -0.001 0.000 0.298 515 V C -0.617 175.560 176.094 0.137 0.000 1.028 515 V CA -0.649 61.717 62.300 0.109 0.000 0.860 515 V CB 1.952 33.836 31.823 0.102 0.000 0.991 515 V HN 0.099 nan 8.190 nan 0.000 0.427 516 K N 2.503 122.996 120.400 0.154 0.000 2.523 516 K HA 0.422 4.741 4.320 -0.001 0.000 0.257 516 K C -1.759 174.758 176.600 -0.139 0.000 0.932 516 K CA -0.645 55.673 56.287 0.052 0.000 0.812 516 K CB 2.470 34.976 32.500 0.010 0.000 1.326 516 K HN 0.699 nan 8.250 nan 0.000 0.433 517 D N 4.114 124.302 120.400 -0.353 0.000 2.295 517 D HA 0.168 4.808 4.640 -0.001 0.000 0.248 517 D C 0.793 176.877 176.300 -0.360 0.000 1.154 517 D CA -0.485 53.051 54.000 -0.774 0.000 0.857 517 D CB 0.830 41.234 40.800 -0.660 0.000 1.117 517 D HN 0.573 nan 8.370 nan 0.000 0.468 518 I N 0.756 121.136 120.570 -0.316 0.000 3.904 518 I HA 0.260 4.429 4.170 -0.001 0.000 0.333 518 I C 1.099 177.139 176.117 -0.129 0.000 1.361 518 I CA -0.756 60.448 61.300 -0.160 0.000 1.116 518 I CB -0.078 37.861 38.000 -0.102 0.000 1.028 518 I HN 0.077 nan 8.210 nan 0.000 0.398 519 K N 0.000 120.304 120.400 -0.160 0.000 2.780 519 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 519 K CA 0.000 56.228 56.287 -0.098 0.000 0.838 519 K CB 0.000 32.444 32.500 -0.094 0.000 1.064 519 K HN 0.000 nan 8.250 nan 0.000 0.543