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 3k5n_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMAQAGFILT RHWRDTPQGT EVSFWLATDN GPLQVTLAPQ ESVAFIPADQ DATA SEQUENCE VPRAQHILQG EQGFRLTPLA LKDFHRQPVY GLYCRAHRQL MNYEKRLREG DATA SEQUENCE GVTVYEADVR PPERYLMERF ITSPVWVEGD MHNGTIVNAR LKPHPDYRPP DATA SEQUENCE LKWVSIDIET TRHGELYCIG LEGCGQRIVY MLGPENGDAS SLDFELEYVA DATA SEQUENCE SRPQLLEKLN AWFANYDPDV IIGWNVVQFD LRMLQKHAER YRLPLRLGRD DATA SEQUENCE NSELEWREXX XXNGVFFAQA KGRLIIDGIE ALKSAFWNFS SFSLETVAQE DATA SEQUENCE LLGEXXXXXX XXXRMDEIDR RFAEDKPALA TYNLKNCELV TQIFHKTEIM DATA SEQUENCE PFLLERATVN GLPVDRHGGS VAAFGHLYFP RMHRAGYVAP NLGEVPPHXX DATA SEQUENCE XXXXXXDSRP GLYDSVLVLD YKSLYPSIIR TFLIDPVGLV EGMAQPDPEH DATA SEQUENCE STEGFLDAWF SREKHCLPEI VTNIWHGRDE AKRQGNKPLS QALKIIMNAF DATA SEQUENCE YGVLGTTACR FFDPRLASSI TMRGHQIMRQ TKALIEAQGY DVIYGDTDST DATA SEQUENCE FVWLKGAHSE EEAAKIGRAL VQHVNAWWAE TLQKQRLTSA LELEYETHFC DATA SEQUENCE RFLMPXXXXX XXXXXXRYAG LIQEGDKQRM VFKGLETVRT DWTPLAQQFQ DATA SEQUENCE QELYLRIFRN EPYQEYVRET IDKLMAGELD ARLVYRKRLR RPLSEYQRNV DATA SEQUENCE PPHVRAARLA DEENQKRGRP LQYQNRGTIK YVWTTNGPEP LDYQRSPLDY DATA SEQUENCE EHYLTRQLQP VAEGILPFIE 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.339 175.328 0.019 0.000 0.993 0 H CA 0.000 56.057 56.048 0.015 0.000 1.023 0 H CB 0.000 29.767 29.762 0.008 0.000 1.292 1 M N 0.744 120.339 119.600 -0.009 0.000 2.909 1 M HA 0.039 4.502 4.480 -0.027 0.000 0.095 1 M C -1.530 174.801 176.300 0.052 0.000 0.526 1 M CA 0.068 55.290 55.300 -0.130 0.000 1.110 1 M CB -1.246 31.308 32.600 -0.077 0.000 0.910 1 M HN 0.703 nan 8.290 nan 0.000 0.599 2 A N 3.530 126.373 122.820 0.038 0.000 2.271 2 A HA 0.780 5.084 4.320 -0.027 0.000 0.317 2 A C -0.169 177.575 177.584 0.267 0.000 1.245 2 A CA -0.306 51.796 52.037 0.110 0.000 0.857 2 A CB 1.147 20.120 19.000 -0.045 0.000 1.175 2 A HN 0.718 nan 8.150 nan 0.000 0.512 3 Q N 2.081 122.073 119.800 0.319 0.000 2.423 3 Q HA 0.779 5.103 4.340 -0.027 0.000 0.278 3 Q C -0.734 175.369 176.000 0.171 0.000 1.097 3 Q CA -0.819 55.159 55.803 0.292 0.000 0.809 3 Q CB 2.106 30.913 28.738 0.115 0.000 1.391 3 Q HN 0.902 nan 8.270 nan 0.000 0.428 4 A N 1.193 123.893 122.820 -0.199 0.000 2.316 4 A HA 0.858 5.162 4.320 -0.027 0.000 0.284 4 A C 0.041 177.155 177.584 -0.784 0.000 1.115 4 A CA 0.348 51.976 52.037 -0.681 0.000 0.812 4 A CB 0.929 19.200 19.000 -1.215 0.000 1.064 4 A HN 0.942 nan 8.150 nan 0.000 0.489 5 G N -0.958 107.451 108.800 -0.651 0.000 2.749 5 G HA2 0.593 4.537 3.960 -0.027 0.000 0.300 5 G HA3 0.593 4.537 3.960 -0.027 0.000 0.300 5 G C -1.740 173.204 174.900 0.073 0.000 1.352 5 G CA -0.445 44.494 45.100 -0.268 0.000 0.789 5 G HN 0.983 nan 8.290 nan 0.000 0.509 6 F N 0.944 120.966 119.950 0.121 0.000 2.573 6 F HA 0.553 5.063 4.527 -0.028 0.000 0.316 6 F C -0.107 175.759 175.800 0.109 0.000 1.148 6 F CA -1.230 56.855 58.000 0.141 0.000 0.940 6 F CB 1.648 40.762 39.000 0.191 0.000 1.214 6 F HN 0.521 nan 8.300 nan 0.000 0.448 7 I N 7.604 128.133 120.570 -0.068 0.000 2.396 7 I HA 0.194 4.348 4.170 -0.027 0.000 0.289 7 I C -0.202 176.058 176.117 0.238 0.000 1.056 7 I CA -0.196 61.167 61.300 0.106 0.000 1.365 7 I CB 1.272 39.262 38.000 -0.016 0.000 1.407 7 I HN 0.869 nan 8.210 nan 0.000 0.509 8 L N 5.688 127.102 121.223 0.319 0.000 2.131 8 L HA 0.101 4.425 4.340 -0.027 0.000 0.206 8 L C 0.891 177.876 176.870 0.191 0.000 1.087 8 L CA 1.026 56.030 54.840 0.274 0.000 0.767 8 L CB -0.263 41.954 42.059 0.263 0.000 0.917 8 L HN 0.720 nan 8.230 nan 0.000 0.441 9 T N 0.123 114.820 114.554 0.238 0.000 2.894 9 T HA 0.502 4.836 4.350 -0.027 0.000 0.309 9 T C -1.128 173.638 174.700 0.111 0.000 1.208 9 T CA -0.756 61.409 62.100 0.109 0.000 1.016 9 T CB 2.414 71.370 68.868 0.146 0.000 1.192 9 T HN 0.121 nan 8.240 nan 0.000 0.491 10 R N 1.561 121.942 120.500 -0.198 0.000 2.837 10 R HA 0.802 5.126 4.340 -0.027 0.000 0.271 10 R C -1.562 174.347 176.300 -0.651 0.000 0.993 10 R CA -0.904 55.060 56.100 -0.226 0.000 0.931 10 R CB 1.356 31.689 30.300 0.054 0.000 1.206 10 R HN 0.791 nan 8.270 nan 0.000 0.474 11 H N -0.163 118.834 119.070 -0.122 0.000 3.037 11 H HA 0.623 5.163 4.556 -0.026 0.000 0.355 11 H C -1.166 174.136 175.328 -0.044 0.000 1.263 11 H CA -0.758 55.249 56.048 -0.068 0.000 1.129 11 H CB 2.258 31.997 29.762 -0.039 0.000 1.861 11 H HN 0.790 nan 8.280 nan 0.000 0.546 12 W N 1.107 122.403 121.300 -0.006 0.000 3.296 12 W HA 0.721 5.365 4.660 -0.026 0.000 0.314 12 W C -1.819 174.684 176.519 -0.026 0.000 1.238 12 W CA -1.004 56.298 57.345 -0.072 0.000 1.193 12 W CB 2.193 31.578 29.460 -0.126 0.000 1.383 12 W HN 0.899 nan 8.180 nan 0.000 0.545 13 R N 1.189 121.819 120.500 0.216 0.000 2.690 13 R HA 0.305 4.629 4.340 -0.027 0.000 0.269 13 R C -1.832 174.592 176.300 0.207 0.000 1.037 13 R CA -0.750 55.347 56.100 -0.004 0.000 0.877 13 R CB 1.644 31.865 30.300 -0.132 0.000 1.255 13 R HN 0.288 nan 8.270 nan 0.000 0.467 14 D N 2.435 122.935 120.400 0.165 0.000 2.280 14 D HA 0.295 4.919 4.640 -0.027 0.000 0.243 14 D C -0.319 176.030 176.300 0.081 0.000 1.129 14 D CA 0.348 54.449 54.000 0.167 0.000 0.848 14 D CB 1.993 42.901 40.800 0.180 0.000 1.107 14 D HN 0.603 nan 8.370 nan 0.000 0.471 15 T N -1.281 113.316 114.554 0.072 0.000 2.916 15 T HA 0.433 4.767 4.350 -0.027 0.000 0.292 15 T C -1.908 172.816 174.700 0.040 0.000 1.064 15 T CA -1.653 60.472 62.100 0.042 0.000 1.011 15 T CB 2.192 71.078 68.868 0.030 0.000 1.152 15 T HN -0.050 nan 8.240 nan 0.000 0.510 16 P HA -0.167 nan 4.420 nan 0.000 0.218 16 P C 1.030 178.344 177.300 0.023 0.000 1.146 16 P CA 1.167 64.282 63.100 0.024 0.000 0.813 16 P CB 0.261 31.971 31.700 0.017 0.000 0.778 17 Q N -0.572 119.241 119.800 0.021 0.000 2.360 17 Q HA 0.286 4.610 4.340 -0.027 0.000 0.202 17 Q C 0.734 176.749 176.000 0.025 0.000 0.915 17 Q CA 0.496 56.310 55.803 0.017 0.000 0.943 17 Q CB 0.299 29.042 28.738 0.008 0.000 1.064 17 Q HN 0.213 nan 8.270 nan 0.000 0.511 18 G N -0.375 108.448 108.800 0.038 0.000 2.470 18 G HA2 -0.061 3.883 3.960 -0.027 0.000 0.145 18 G HA3 -0.061 3.883 3.960 -0.027 0.000 0.145 18 G C -1.141 173.802 174.900 0.072 0.000 1.223 18 G CA -0.181 44.949 45.100 0.049 0.000 1.058 18 G HN 0.125 nan 8.290 nan 0.000 0.469 19 T N -0.281 114.322 114.554 0.082 0.000 2.848 19 T HA 0.671 5.005 4.350 -0.027 0.000 0.285 19 T C -0.925 173.831 174.700 0.093 0.000 0.995 19 T CA -0.130 62.047 62.100 0.130 0.000 0.970 19 T CB 1.967 70.922 68.868 0.146 0.000 0.976 19 T HN 0.482 nan 8.240 nan 0.000 0.441 20 E N 2.884 123.144 120.200 0.099 0.000 2.200 20 E HA 0.494 4.827 4.350 -0.027 0.000 0.283 20 E C -0.742 175.874 176.600 0.027 0.000 1.015 20 E CA -0.703 55.722 56.400 0.041 0.000 0.819 20 E CB 1.532 31.244 29.700 0.019 0.000 1.081 20 E HN 0.498 nan 8.360 nan 0.000 0.397 21 V N 3.099 122.980 119.914 -0.055 0.000 2.394 21 V HA 0.260 4.363 4.120 -0.027 0.000 0.282 21 V C -0.001 175.924 176.094 -0.282 0.000 1.031 21 V CA -0.207 61.986 62.300 -0.179 0.000 0.881 21 V CB 1.605 33.297 31.823 -0.218 0.000 0.982 21 V HN 0.535 nan 8.190 nan 0.000 0.451 22 S N 4.394 119.861 115.700 -0.388 0.000 2.536 22 S HA 0.891 5.345 4.470 -0.027 0.000 0.298 22 S C -1.345 173.000 174.600 -0.424 0.000 1.083 22 S CA -0.355 57.697 58.200 -0.248 0.000 0.995 22 S CB 0.933 64.104 63.200 -0.048 0.000 1.058 22 S HN 0.407 nan 8.310 nan 0.000 0.488 23 F N 1.427 121.450 119.950 0.121 0.000 2.619 23 F HA 0.541 5.051 4.527 -0.029 0.000 0.308 23 F C -1.288 174.584 175.800 0.119 0.000 1.097 23 F CA -0.743 57.364 58.000 0.180 0.000 0.953 23 F CB 1.322 40.376 39.000 0.088 0.000 1.287 23 F HN 0.526 nan 8.300 nan 0.000 0.446 24 W N 3.896 125.413 121.300 0.362 0.000 2.587 24 W HA 0.802 5.440 4.660 -0.037 0.000 0.324 24 W C -1.131 175.518 176.519 0.217 0.000 1.040 24 W CA -0.502 56.995 57.345 0.252 0.000 1.222 24 W CB 1.571 31.176 29.460 0.241 0.000 1.381 24 W HN 0.240 nan 8.180 nan 0.000 0.483 25 L N 2.756 124.199 121.223 0.367 0.000 2.304 25 L HA 0.967 5.291 4.340 -0.027 0.000 0.268 25 L C 0.114 177.166 176.870 0.303 0.000 1.010 25 L CA -1.555 53.459 54.840 0.290 0.000 0.813 25 L CB 1.035 43.194 42.059 0.166 0.000 1.315 25 L HN 0.381 nan 8.230 nan 0.000 0.445 26 A N 0.355 123.355 122.820 0.301 0.000 2.318 26 A HA 0.802 5.106 4.320 -0.027 0.000 0.324 26 A C -0.259 177.490 177.584 0.275 0.000 1.170 26 A CA -0.240 51.961 52.037 0.273 0.000 0.810 26 A CB 1.104 20.259 19.000 0.259 0.000 1.198 26 A HN 0.792 nan 8.150 nan 0.000 0.484 27 T N -1.631 113.051 114.554 0.213 0.000 2.804 27 T HA 0.475 4.809 4.350 -0.027 0.000 0.290 27 T C -0.281 174.533 174.700 0.192 0.000 1.099 27 T CA -0.397 61.813 62.100 0.183 0.000 1.011 27 T CB 1.155 70.069 68.868 0.075 0.000 1.291 27 T HN 0.231 nan 8.240 nan 0.000 0.523 28 D N 0.415 120.924 120.400 0.182 0.000 2.371 28 D HA 0.081 4.705 4.640 -0.027 0.000 0.221 28 D C 0.722 177.076 176.300 0.090 0.000 0.986 28 D CA 0.673 54.760 54.000 0.144 0.000 0.899 28 D CB -0.113 40.773 40.800 0.143 0.000 0.902 28 D HN 0.418 nan 8.370 nan 0.000 0.530 29 N N -0.282 118.467 118.700 0.082 0.000 2.234 29 N HA 0.324 5.048 4.740 -0.027 0.000 0.227 29 N C 0.625 176.176 175.510 0.068 0.000 1.151 29 N CA 0.372 53.459 53.050 0.062 0.000 0.865 29 N CB 1.370 39.888 38.487 0.051 0.000 1.066 29 N HN 0.136 nan 8.380 nan 0.000 0.515 30 G N 0.633 109.486 108.800 0.088 0.000 2.447 30 G HA2 -0.153 3.791 3.960 -0.027 0.000 0.220 30 G HA3 -0.153 3.791 3.960 -0.027 0.000 0.220 30 G C -3.125 171.860 174.900 0.143 0.000 1.261 30 G CA -1.099 44.062 45.100 0.100 0.000 1.000 30 G HN 0.029 nan 8.290 nan 0.000 0.515 31 P HA 0.651 nan 4.420 nan 0.000 0.277 31 P C -0.735 176.707 177.300 0.237 0.000 1.240 31 P CA -0.423 62.845 63.100 0.280 0.000 0.798 31 P CB 1.366 33.296 31.700 0.384 0.000 0.979 32 L N 1.299 122.650 121.223 0.214 0.000 2.431 32 L HA 0.449 4.773 4.340 -0.027 0.000 0.266 32 L C -0.867 175.902 176.870 -0.170 0.000 0.978 32 L CA -0.631 54.230 54.840 0.035 0.000 0.822 32 L CB 2.058 44.140 42.059 0.038 0.000 1.310 32 L HN 0.327 nan 8.230 nan 0.000 0.409 33 Q N 2.762 122.291 119.800 -0.452 0.000 2.293 33 Q HA 0.727 5.051 4.340 -0.027 0.000 0.261 33 Q C -1.796 173.989 176.000 -0.358 0.000 0.960 33 Q CA -0.619 54.693 55.803 -0.819 0.000 0.882 33 Q CB 1.918 29.939 28.738 -1.195 0.000 1.275 33 Q HN 0.599 nan 8.270 nan 0.000 0.445 34 V N 2.904 122.680 119.914 -0.230 0.000 2.604 34 V HA 0.523 4.627 4.120 -0.027 0.000 0.305 34 V C -0.626 175.453 176.094 -0.025 0.000 1.043 34 V CA -0.518 61.750 62.300 -0.053 0.000 0.888 34 V CB 2.286 34.144 31.823 0.059 0.000 0.995 34 V HN 0.859 nan 8.190 nan 0.000 0.429 35 T N 5.451 119.992 114.554 -0.022 0.000 2.848 35 T HA 0.579 4.913 4.350 -0.027 0.000 0.285 35 T C -0.697 173.995 174.700 -0.014 0.000 0.995 35 T CA -0.504 61.578 62.100 -0.030 0.000 0.970 35 T CB 1.508 70.349 68.868 -0.046 0.000 0.976 35 T HN 0.188 nan 8.240 nan 0.000 0.441 36 L N 2.619 123.819 121.223 -0.037 0.000 2.418 36 L HA 0.649 4.973 4.340 -0.027 0.000 0.265 36 L C 1.066 177.913 176.870 -0.038 0.000 1.143 36 L CA -0.357 54.442 54.840 -0.067 0.000 0.809 36 L CB 0.082 42.035 42.059 -0.178 0.000 1.124 36 L HN 0.891 nan 8.230 nan 0.000 0.456 37 A N 4.088 126.899 122.820 -0.015 0.000 2.475 37 A HA 0.355 4.659 4.320 -0.027 0.000 0.239 37 A C -2.143 175.441 177.584 0.001 0.000 1.087 37 A CA -0.604 51.434 52.037 0.001 0.000 0.779 37 A CB -1.059 17.953 19.000 0.021 0.000 1.036 37 A HN 0.628 nan 8.150 nan 0.000 0.506 38 P HA 0.145 nan 4.420 nan 0.000 0.269 38 P C -0.508 176.811 177.300 0.031 0.000 1.217 38 P CA 0.225 63.336 63.100 0.018 0.000 0.783 38 P CB 0.406 32.117 31.700 0.018 0.000 0.898 39 Q N 1.098 120.920 119.800 0.038 0.000 2.433 39 Q HA 0.436 4.759 4.340 -0.027 0.000 0.279 39 Q C -0.646 175.390 176.000 0.061 0.000 1.105 39 Q CA -0.593 55.244 55.803 0.056 0.000 0.815 39 Q CB 2.501 31.270 28.738 0.052 0.000 1.403 39 Q HN 0.442 nan 8.270 nan 0.000 0.435 40 E N 0.116 120.365 120.200 0.081 0.000 2.227 40 E HA 0.511 4.845 4.350 -0.027 0.000 0.268 40 E C -1.032 175.649 176.600 0.136 0.000 0.907 40 E CA -0.400 56.063 56.400 0.106 0.000 0.786 40 E CB 1.843 31.606 29.700 0.106 0.000 1.191 40 E HN 0.377 nan 8.360 nan 0.000 0.411 41 S N 1.148 116.928 115.700 0.134 0.000 2.475 41 S HA 0.442 4.895 4.470 -0.027 0.000 0.298 41 S C -0.867 173.750 174.600 0.028 0.000 1.119 41 S CA -0.678 57.581 58.200 0.099 0.000 1.085 41 S CB 1.663 64.936 63.200 0.123 0.000 1.028 41 S HN 0.311 nan 8.310 nan 0.000 0.489 42 V N 1.912 121.769 119.914 -0.095 0.000 2.914 42 V HA 0.969 5.073 4.120 -0.027 0.000 0.314 42 V C -0.864 174.913 176.094 -0.529 0.000 1.084 42 V CA -0.542 61.496 62.300 -0.436 0.000 0.963 42 V CB 1.752 33.171 31.823 -0.674 0.000 1.025 42 V HN 1.078 nan 8.190 nan 0.000 0.432 43 A N 4.605 126.999 122.820 -0.710 0.000 2.539 43 A HA 0.919 5.223 4.320 -0.027 0.000 0.296 43 A C -1.660 175.507 177.584 -0.695 0.000 1.073 43 A CA -0.502 51.222 52.037 -0.522 0.000 0.700 43 A CB 1.549 20.393 19.000 -0.259 0.000 1.296 43 A HN 0.746 nan 8.150 nan 0.000 0.405 44 F N 0.468 120.417 119.950 -0.001 0.000 2.508 44 F HA 0.749 5.260 4.527 -0.027 0.000 0.325 44 F C 0.135 175.961 175.800 0.043 0.000 1.090 44 F CA -0.578 57.452 58.000 0.050 0.000 0.945 44 F CB 1.869 40.963 39.000 0.156 0.000 1.156 44 F HN 0.344 nan 8.300 nan 0.000 0.463 45 I N 2.725 123.443 120.570 0.248 0.000 2.647 45 I HA 0.369 4.523 4.170 -0.027 0.000 0.295 45 I C -2.702 173.506 176.117 0.151 0.000 1.078 45 I CA -2.520 58.839 61.300 0.097 0.000 1.048 45 I CB 2.590 40.592 38.000 0.004 0.000 1.239 45 I HN 0.225 nan 8.210 nan 0.000 0.421 46 P HA 0.049 nan 4.420 nan 0.000 0.267 46 P C 0.450 177.750 177.300 -0.001 0.000 1.209 46 P CA 0.173 63.331 63.100 0.095 0.000 0.763 46 P CB 1.052 32.786 31.700 0.055 0.000 0.816 47 A N 4.823 127.655 122.820 0.020 0.000 1.903 47 A HA -0.284 4.020 4.320 -0.027 0.000 0.219 47 A C 1.910 179.332 177.584 -0.270 0.000 1.191 47 A CA 2.520 54.411 52.037 -0.243 0.000 0.638 47 A CB -1.502 17.491 19.000 -0.011 0.000 0.823 47 A HN 0.622 nan 8.150 nan 0.000 0.451 48 D N -0.551 119.784 120.400 -0.107 0.000 2.265 48 D HA -0.196 4.428 4.640 -0.027 0.000 0.208 48 D C 1.626 177.867 176.300 -0.097 0.000 0.977 48 D CA 1.650 55.599 54.000 -0.086 0.000 0.871 48 D CB -0.457 40.326 40.800 -0.028 0.000 0.925 48 D HN 0.640 nan 8.370 nan 0.000 0.485 49 Q N -0.200 119.537 119.800 -0.104 0.000 2.360 49 Q HA 0.126 4.450 4.340 -0.027 0.000 0.202 49 Q C 1.984 177.911 176.000 -0.121 0.000 0.915 49 Q CA -0.068 55.679 55.803 -0.094 0.000 0.943 49 Q CB 0.830 29.517 28.738 -0.086 0.000 1.064 49 Q HN 0.255 nan 8.270 nan 0.000 0.511 50 V N 1.740 121.539 119.914 -0.192 0.000 2.295 50 V HA -0.191 3.913 4.120 -0.027 0.000 0.246 50 V C -0.695 175.327 176.094 -0.119 0.000 1.049 50 V CA 1.914 64.088 62.300 -0.211 0.000 1.024 50 V CB -1.340 30.216 31.823 -0.446 0.000 0.648 50 V HN 0.217 nan 8.190 nan 0.000 0.447 51 P HA -0.201 nan 4.420 nan 0.000 0.217 51 P C 1.767 179.062 177.300 -0.007 0.000 1.151 51 P CA 1.552 64.626 63.100 -0.044 0.000 0.849 51 P CB -0.086 31.585 31.700 -0.047 0.000 0.787 52 R N -0.732 119.756 120.500 -0.019 0.000 2.148 52 R HA -0.011 4.313 4.340 -0.027 0.000 0.223 52 R C 2.071 178.373 176.300 0.004 0.000 1.088 52 R CA 1.131 57.244 56.100 0.022 0.000 0.985 52 R CB -0.612 29.689 30.300 0.000 0.000 0.880 52 R HN 0.070 nan 8.270 nan 0.000 0.451 53 A N 1.026 123.815 122.820 -0.051 0.000 1.877 53 A HA -0.217 4.087 4.320 -0.027 0.000 0.216 53 A C 1.987 179.520 177.584 -0.085 0.000 1.186 53 A CA 1.393 53.370 52.037 -0.101 0.000 0.620 53 A CB -0.438 18.487 19.000 -0.125 0.000 0.822 53 A HN 0.446 nan 8.150 nan 0.000 0.443 54 Q N -1.268 118.527 119.800 -0.009 0.000 2.124 54 Q HA -0.242 4.082 4.340 -0.027 0.000 0.202 54 Q C 2.024 178.061 176.000 0.062 0.000 0.977 54 Q CA 1.653 57.487 55.803 0.053 0.000 0.850 54 Q CB -0.502 28.288 28.738 0.085 0.000 0.901 54 Q HN 0.928 nan 8.270 nan 0.000 0.429 55 H N 1.439 120.492 119.070 -0.029 0.000 2.353 55 H HA -0.037 4.503 4.556 -0.027 0.000 0.300 55 H C 1.753 177.056 175.328 -0.042 0.000 1.090 55 H CA 1.521 57.552 56.048 -0.028 0.000 1.327 55 H CB -0.223 29.519 29.762 -0.033 0.000 1.383 55 H HN 0.163 nan 8.280 nan 0.000 0.508 56 I N -0.011 120.394 120.570 -0.276 0.000 2.546 56 I HA -0.133 4.021 4.170 -0.027 0.000 0.255 56 I C 0.929 176.885 176.117 -0.269 0.000 1.163 56 I CA 0.719 61.810 61.300 -0.348 0.000 1.457 56 I CB 0.081 37.936 38.000 -0.242 0.000 1.092 56 I HN 0.179 nan 8.210 nan 0.000 0.434 57 L N 1.310 122.407 121.223 -0.211 0.000 3.034 57 L HA 0.191 4.515 4.340 -0.027 0.000 0.245 57 L C 0.168 177.021 176.870 -0.029 0.000 1.295 57 L CA -0.244 54.482 54.840 -0.190 0.000 1.068 57 L CB -0.223 41.675 42.059 -0.269 0.000 1.426 57 L HN 0.167 nan 8.230 nan 0.000 0.531 58 Q N 1.015 120.779 119.800 -0.059 0.000 2.274 58 Q HA 0.090 4.414 4.340 -0.027 0.000 0.280 58 Q C 1.283 177.287 176.000 0.005 0.000 1.047 58 Q CA 1.036 56.838 55.803 -0.002 0.000 0.907 58 Q CB 1.041 29.774 28.738 -0.008 0.000 1.171 58 Q HN 0.614 nan 8.270 nan 0.000 0.381 59 G N 3.072 111.886 108.800 0.024 0.000 2.212 59 G HA2 -0.306 3.638 3.960 -0.027 0.000 0.266 59 G HA3 -0.306 3.638 3.960 -0.027 0.000 0.266 59 G C 0.288 175.205 174.900 0.029 0.000 0.978 59 G CA 0.634 45.744 45.100 0.017 0.000 0.632 59 G HN 0.532 nan 8.290 nan 0.000 0.537 60 E N -0.063 120.175 120.200 0.064 0.000 2.371 60 E HA 0.667 5.001 4.350 -0.027 0.000 0.257 60 E C 0.285 176.918 176.600 0.056 0.000 1.134 60 E CA 0.047 56.524 56.400 0.128 0.000 0.919 60 E CB 0.667 30.488 29.700 0.203 0.000 1.025 60 E HN 0.460 nan 8.360 nan 0.000 0.438 61 Q N 0.069 119.900 119.800 0.052 0.000 2.534 61 Q HA 0.561 4.885 4.340 -0.027 0.000 0.290 61 Q C -0.793 175.209 176.000 0.004 0.000 0.991 61 Q CA 0.069 55.788 55.803 -0.140 0.000 0.783 61 Q CB 1.804 30.475 28.738 -0.112 0.000 1.470 61 Q HN 0.618 nan 8.270 nan 0.000 0.406 62 G N 0.972 109.733 108.800 -0.065 0.000 2.151 62 G HA2 0.060 4.004 3.960 -0.027 0.000 0.156 62 G HA3 0.060 4.004 3.960 -0.027 0.000 0.156 62 G C -0.772 174.239 174.900 0.186 0.000 1.017 62 G CA 0.054 45.193 45.100 0.065 0.000 0.686 62 G HN 1.168 nan 8.290 nan 0.000 0.503 63 F N -1.308 118.714 119.950 0.120 0.000 3.052 63 F HA 0.910 5.420 4.527 -0.027 0.000 0.323 63 F C -0.893 174.984 175.800 0.129 0.000 1.178 63 F CA -1.309 56.778 58.000 0.144 0.000 0.892 63 F CB 0.761 39.895 39.000 0.224 0.000 1.416 63 F HN 0.603 nan 8.300 nan 0.000 0.488 64 R N 1.293 122.247 120.500 0.756 0.000 2.664 64 R HA 0.756 5.080 4.340 -0.027 0.000 0.266 64 R C -2.646 174.010 176.300 0.594 0.000 1.046 64 R CA -0.967 55.434 56.100 0.501 0.000 0.885 64 R CB 1.773 32.214 30.300 0.234 0.000 1.254 64 R HN 0.913 nan 8.270 nan 0.000 0.465 65 L N 1.979 123.476 121.223 0.456 0.000 2.333 65 L HA 0.554 4.878 4.340 -0.027 0.000 0.280 65 L C -0.796 176.236 176.870 0.270 0.000 1.004 65 L CA -0.496 54.562 54.840 0.363 0.000 0.820 65 L CB 2.558 44.851 42.059 0.390 0.000 1.247 65 L HN 0.777 nan 8.230 nan 0.000 0.416 66 T N 3.333 117.992 114.554 0.176 0.000 2.893 66 T HA 0.448 4.782 4.350 -0.027 0.000 0.291 66 T C -2.704 171.780 174.700 -0.359 0.000 1.028 66 T CA -1.447 60.647 62.100 -0.012 0.000 0.995 66 T CB 2.309 71.288 68.868 0.184 0.000 1.051 66 T HN 0.160 nan 8.240 nan 0.000 0.470 67 P HA 0.297 nan 4.420 nan 0.000 0.286 67 P C -0.698 176.470 177.300 -0.219 0.000 1.321 67 P CA -0.553 62.097 63.100 -0.750 0.000 0.790 67 P CB 0.344 31.687 31.700 -0.596 0.000 0.897 68 L N 2.710 123.891 121.223 -0.070 0.000 2.454 68 L HA 0.457 4.781 4.340 -0.027 0.000 0.256 68 L C 1.294 178.165 176.870 0.001 0.000 1.136 68 L CA -0.295 54.566 54.840 0.035 0.000 0.804 68 L CB -0.232 41.908 42.059 0.135 0.000 1.181 68 L HN 0.290 nan 8.230 nan 0.000 0.469 69 A N 2.304 125.121 122.820 -0.005 0.000 2.833 69 A HA 0.495 4.799 4.320 -0.027 0.000 0.293 69 A C 0.090 177.625 177.584 -0.082 0.000 1.338 69 A CA -0.151 51.864 52.037 -0.037 0.000 0.959 69 A CB -0.375 18.606 19.000 -0.031 0.000 1.094 69 A HN 0.515 nan 8.150 nan 0.000 0.569 70 L N 0.144 121.313 121.223 -0.090 0.000 2.303 70 L HA 0.606 4.929 4.340 -0.027 0.000 0.266 70 L C -0.136 176.625 176.870 -0.181 0.000 1.011 70 L CA -0.933 53.794 54.840 -0.188 0.000 0.818 70 L CB 2.332 44.255 42.059 -0.226 0.000 1.326 70 L HN 0.415 nan 8.230 nan 0.000 0.435 71 K N -0.621 119.610 120.400 -0.282 0.000 2.482 71 K HA 0.540 4.844 4.320 -0.027 0.000 0.257 71 K C -1.468 175.066 176.600 -0.110 0.000 0.969 71 K CA -0.983 55.203 56.287 -0.169 0.000 0.842 71 K CB 2.322 34.712 32.500 -0.184 0.000 1.359 71 K HN 0.540 nan 8.250 nan 0.000 0.441 72 D N -0.302 120.105 120.400 0.012 0.000 2.447 72 D HA 0.044 4.668 4.640 -0.027 0.000 0.265 72 D C 0.402 176.879 176.300 0.296 0.000 1.250 72 D CA -0.504 53.505 54.000 0.015 0.000 1.046 72 D CB 0.260 41.022 40.800 -0.063 0.000 1.095 72 D HN 0.388 nan 8.370 nan 0.000 0.555 73 F N -0.955 118.973 119.950 -0.035 0.000 2.408 73 F HA -0.045 4.466 4.527 -0.027 0.000 0.300 73 F C 1.808 177.757 175.800 0.248 0.000 1.090 73 F CA 1.024 59.087 58.000 0.104 0.000 1.427 73 F CB -0.481 38.546 39.000 0.046 0.000 1.070 73 F HN 0.502 nan 8.300 nan 0.000 0.549 74 H N -0.527 118.645 119.070 0.170 0.000 2.539 74 H HA 0.179 4.719 4.556 -0.027 0.000 0.269 74 H C 0.599 175.978 175.328 0.085 0.000 0.980 74 H CA 0.050 56.161 56.048 0.105 0.000 1.152 74 H CB 0.307 30.135 29.762 0.110 0.000 1.407 74 H HN 0.083 nan 8.280 nan 0.000 0.564 75 R N -0.053 120.590 120.500 0.239 0.000 3.728 75 R HA -0.164 4.160 4.340 -0.027 0.000 0.478 75 R C 0.215 176.574 176.300 0.098 0.000 0.932 75 R CA 0.467 56.657 56.100 0.149 0.000 1.317 75 R CB -1.688 28.679 30.300 0.110 0.000 1.987 75 R HN 0.300 nan 8.270 nan 0.000 0.509 76 Q N 2.597 122.474 119.800 0.129 0.000 2.352 76 Q HA 0.291 4.614 4.340 -0.027 0.000 0.260 76 Q C -2.393 173.657 176.000 0.084 0.000 0.976 76 Q CA -1.524 54.339 55.803 0.100 0.000 0.881 76 Q CB 0.931 29.736 28.738 0.112 0.000 1.235 76 Q HN -0.091 nan 8.270 nan 0.000 0.419 77 P HA 0.035 nan 4.420 nan 0.000 0.271 77 P C -1.249 176.139 177.300 0.148 0.000 1.218 77 P CA -0.219 62.931 63.100 0.082 0.000 0.780 77 P CB 0.823 32.582 31.700 0.098 0.000 0.901 78 V N 0.393 120.405 119.914 0.163 0.000 2.994 78 V HA 0.563 4.667 4.120 -0.027 0.000 0.318 78 V C -0.996 175.328 176.094 0.382 0.000 1.085 78 V CA -0.974 61.482 62.300 0.260 0.000 0.998 78 V CB 1.496 33.462 31.823 0.238 0.000 1.063 78 V HN 0.384 nan 8.190 nan 0.000 0.447 79 Y N -0.301 120.080 120.300 0.136 0.000 2.468 79 Y HA 0.746 5.280 4.550 -0.027 0.000 0.342 79 Y C 0.721 176.702 175.900 0.136 0.000 1.021 79 Y CA -0.603 57.570 58.100 0.122 0.000 1.079 79 Y CB 2.612 41.120 38.460 0.081 0.000 1.226 79 Y HN 0.986 nan 8.280 nan 0.000 0.460 80 G N 3.072 111.973 108.800 0.168 0.000 2.368 80 G HA2 0.463 4.407 3.960 -0.027 0.000 0.320 80 G HA3 0.463 4.407 3.960 -0.027 0.000 0.320 80 G C -1.897 172.829 174.900 -0.290 0.000 1.158 80 G CA -0.570 44.446 45.100 -0.140 0.000 0.912 80 G HN 0.496 nan 8.290 nan 0.000 0.456 81 L N 2.885 123.901 121.223 -0.346 0.000 2.278 81 L HA 0.599 4.923 4.340 -0.027 0.000 0.287 81 L C -1.339 175.350 176.870 -0.301 0.000 1.072 81 L CA -0.844 53.873 54.840 -0.205 0.000 0.819 81 L CB 0.067 42.000 42.059 -0.210 0.000 1.176 81 L HN 0.455 nan 8.230 nan 0.000 0.435 82 Y N 4.245 124.582 120.300 0.062 0.000 2.328 82 Y HA 0.531 5.065 4.550 -0.027 0.000 0.337 82 Y C 0.134 176.107 175.900 0.122 0.000 0.966 82 Y CA -0.379 57.752 58.100 0.052 0.000 1.136 82 Y CB 1.483 39.979 38.460 0.061 0.000 1.170 82 Y HN 0.585 nan 8.280 nan 0.000 0.470 83 C N 3.212 122.637 119.300 0.210 0.000 2.529 83 C HA 0.429 4.873 4.460 -0.027 0.000 0.329 83 C C 1.611 176.671 174.990 0.116 0.000 1.194 83 C CA -0.998 58.117 59.018 0.162 0.000 1.779 83 C CB 2.002 29.751 27.740 0.014 0.000 2.322 83 C HN 0.867 nan 8.230 nan 0.000 0.500 84 R N 1.043 121.602 120.500 0.100 0.000 2.092 84 R HA 0.081 4.405 4.340 -0.027 0.000 0.231 84 R C 0.635 176.971 176.300 0.061 0.000 1.119 84 R CA 0.862 57.006 56.100 0.072 0.000 0.970 84 R CB -0.497 29.840 30.300 0.061 0.000 0.864 84 R HN 0.835 nan 8.270 nan 0.000 0.440 85 A N -0.163 122.680 122.820 0.038 0.000 2.331 85 A HA 0.277 4.581 4.320 -0.027 0.000 0.320 85 A C 0.534 178.132 177.584 0.022 0.000 1.138 85 A CA -0.586 51.483 52.037 0.054 0.000 0.790 85 A CB 0.907 19.934 19.000 0.045 0.000 1.206 85 A HN 0.306 nan 8.150 nan 0.000 0.470 86 H N 1.997 121.042 119.070 -0.042 0.000 2.387 86 H HA -0.056 4.484 4.556 -0.026 0.000 0.299 86 H C 1.521 176.801 175.328 -0.080 0.000 1.090 86 H CA 1.724 57.677 56.048 -0.158 0.000 1.332 86 H CB 0.298 29.775 29.762 -0.476 0.000 1.386 86 H HN 0.725 nan 8.280 nan 0.000 0.516 87 R N 0.555 121.116 120.500 0.101 0.000 2.189 87 R HA -0.121 4.203 4.340 -0.027 0.000 0.223 87 R C 2.491 178.723 176.300 -0.112 0.000 1.092 87 R CA 1.265 57.401 56.100 0.061 0.000 0.989 87 R CB -0.060 30.339 30.300 0.164 0.000 0.876 87 R HN 0.680 nan 8.270 nan 0.000 0.457 88 Q N 0.405 120.084 119.800 -0.202 0.000 2.096 88 Q HA -0.113 4.211 4.340 -0.027 0.000 0.197 88 Q C 2.124 177.717 176.000 -0.679 0.000 0.964 88 Q CA 0.908 56.457 55.803 -0.425 0.000 0.838 88 Q CB -0.403 28.072 28.738 -0.438 0.000 0.906 88 Q HN 0.200 nan 8.270 nan 0.000 0.444 89 L N 0.733 121.636 121.223 -0.533 0.000 2.012 89 L HA -0.123 4.201 4.340 -0.027 0.000 0.210 89 L C 2.464 179.111 176.870 -0.371 0.000 1.073 89 L CA 1.802 56.358 54.840 -0.473 0.000 0.748 89 L CB -0.341 41.468 42.059 -0.416 0.000 0.891 89 L HN 0.305 nan 8.230 nan 0.000 0.431 90 M N -0.465 118.886 119.600 -0.415 0.000 2.149 90 M HA -0.220 4.244 4.480 -0.027 0.000 0.261 90 M C 2.059 178.278 176.300 -0.136 0.000 1.064 90 M CA 1.942 57.078 55.300 -0.274 0.000 1.102 90 M CB -0.720 31.766 32.600 -0.190 0.000 1.369 90 M HN 0.513 nan 8.290 nan 0.000 0.408 91 N N 0.444 119.060 118.700 -0.141 0.000 2.106 91 N HA -0.187 4.537 4.740 -0.027 0.000 0.188 91 N C 1.468 177.020 175.510 0.071 0.000 1.029 91 N CA 1.835 54.858 53.050 -0.046 0.000 0.848 91 N CB -0.360 38.083 38.487 -0.074 0.000 1.007 91 N HN 0.253 nan 8.380 nan 0.000 0.423 92 Y N 1.352 121.591 120.300 -0.103 0.000 2.145 92 Y HA -0.107 4.427 4.550 -0.026 0.000 0.286 92 Y C 2.476 178.297 175.900 -0.131 0.000 1.145 92 Y CA 1.513 59.538 58.100 -0.125 0.000 1.148 92 Y CB -1.306 37.046 38.460 -0.181 0.000 0.981 92 Y HN 0.375 nan 8.280 nan 0.000 0.507 93 E N 1.926 122.148 120.200 0.036 0.000 2.147 93 E HA -0.286 4.047 4.350 -0.027 0.000 0.199 93 E C 1.895 178.475 176.600 -0.033 0.000 1.005 93 E CA 2.293 58.671 56.400 -0.037 0.000 0.810 93 E CB -0.570 29.088 29.700 -0.070 0.000 0.736 93 E HN 0.561 nan 8.360 nan 0.000 0.460 94 K N 0.382 120.775 120.400 -0.013 0.000 2.057 94 K HA -0.110 4.194 4.320 -0.027 0.000 0.206 94 K C 2.352 178.941 176.600 -0.019 0.000 1.050 94 K CA 1.077 57.356 56.287 -0.013 0.000 0.935 94 K CB -0.205 32.295 32.500 0.000 0.000 0.715 94 K HN 0.017 nan 8.250 nan 0.000 0.439 95 R N 0.861 121.355 120.500 -0.010 0.000 2.073 95 R HA -0.026 4.298 4.340 -0.027 0.000 0.234 95 R C 2.507 178.767 176.300 -0.067 0.000 1.134 95 R CA 1.653 57.730 56.100 -0.038 0.000 0.952 95 R CB -0.592 29.676 30.300 -0.052 0.000 0.850 95 R HN 0.280 nan 8.270 nan 0.000 0.433 96 L N 0.086 121.260 121.223 -0.081 0.000 2.083 96 L HA -0.141 4.183 4.340 -0.027 0.000 0.209 96 L C 2.798 179.617 176.870 -0.085 0.000 1.083 96 L CA 1.251 56.030 54.840 -0.101 0.000 0.752 96 L CB -0.459 41.526 42.059 -0.123 0.000 0.899 96 L HN 0.215 nan 8.230 nan 0.000 0.433 97 R N 0.627 121.083 120.500 -0.072 0.000 2.090 97 R HA -0.139 4.184 4.340 -0.027 0.000 0.228 97 R C 1.944 178.215 176.300 -0.049 0.000 1.110 97 R CA 1.222 57.282 56.100 -0.066 0.000 0.973 97 R CB 0.040 30.306 30.300 -0.055 0.000 0.869 97 R HN 0.370 nan 8.270 nan 0.000 0.440 98 E N -1.177 118.998 120.200 -0.041 0.000 2.427 98 E HA -0.042 4.291 4.350 -0.027 0.000 0.196 98 E C 1.020 177.600 176.600 -0.034 0.000 1.028 98 E CA 0.710 57.092 56.400 -0.031 0.000 0.864 98 E CB 0.383 30.068 29.700 -0.025 0.000 0.813 98 E HN 0.510 nan 8.360 nan 0.000 0.514 99 G N -0.396 108.377 108.800 -0.045 0.000 3.393 99 G HA2 0.275 4.219 3.960 -0.027 0.000 0.255 99 G HA3 0.275 4.219 3.960 -0.027 0.000 0.255 99 G C 0.885 175.764 174.900 -0.036 0.000 1.097 99 G CA 0.081 45.156 45.100 -0.042 0.000 0.780 99 G HN 0.295 nan 8.290 nan 0.000 0.540 100 G N -1.029 107.747 108.800 -0.040 0.000 2.141 100 G HA2 -0.194 3.750 3.960 -0.027 0.000 0.231 100 G HA3 -0.194 3.750 3.960 -0.027 0.000 0.231 100 G C 0.043 174.910 174.900 -0.055 0.000 0.984 100 G CA 0.103 45.180 45.100 -0.039 0.000 0.660 100 G HN 0.815 nan 8.290 nan 0.000 0.525 101 V N 0.809 120.677 119.914 -0.077 0.000 2.581 101 V HA 0.715 4.819 4.120 -0.027 0.000 0.303 101 V C 0.552 176.558 176.094 -0.146 0.000 1.041 101 V CA -0.249 61.989 62.300 -0.104 0.000 0.907 101 V CB 1.867 33.624 31.823 -0.109 0.000 0.994 101 V HN 0.310 nan 8.190 nan 0.000 0.442 102 T N 3.788 118.225 114.554 -0.195 0.000 2.744 102 T HA 0.553 4.887 4.350 -0.027 0.000 0.291 102 T C -0.207 174.202 174.700 -0.485 0.000 0.957 102 T CA -0.394 61.508 62.100 -0.330 0.000 1.002 102 T CB 1.067 69.716 68.868 -0.363 0.000 0.919 102 T HN 0.789 nan 8.240 nan 0.000 0.468 103 V N 1.484 121.115 119.914 -0.472 0.000 2.680 103 V HA 0.815 4.919 4.120 -0.027 0.000 0.309 103 V C -1.600 174.231 176.094 -0.437 0.000 1.052 103 V CA -1.187 60.873 62.300 -0.401 0.000 0.908 103 V CB 1.134 32.838 31.823 -0.198 0.000 1.001 103 V HN 0.745 nan 8.190 nan 0.000 0.431 104 Y N 0.581 120.927 120.300 0.078 0.000 2.549 104 Y HA 0.610 5.143 4.550 -0.027 0.000 0.339 104 Y C 0.777 176.790 175.900 0.188 0.000 1.053 104 Y CA -0.876 57.287 58.100 0.106 0.000 1.105 104 Y CB 1.391 39.909 38.460 0.098 0.000 1.258 104 Y HN 0.893 nan 8.280 nan 0.000 0.478 105 E N -0.502 119.915 120.200 0.362 0.000 2.440 105 E HA -0.262 4.072 4.350 -0.027 0.000 0.246 105 E C 0.155 176.877 176.600 0.203 0.000 1.165 105 E CA 0.545 57.151 56.400 0.344 0.000 0.726 105 E CB -1.170 28.837 29.700 0.512 0.000 1.271 105 E HN 0.706 nan 8.360 nan 0.000 0.397 106 A N 0.560 123.449 122.820 0.114 0.000 2.387 106 A HA 0.105 4.409 4.320 -0.027 0.000 0.234 106 A C 1.249 178.868 177.584 0.058 0.000 1.253 106 A CA 0.579 52.631 52.037 0.025 0.000 0.894 106 A CB 0.036 19.011 19.000 -0.043 0.000 0.963 106 A HN 0.346 nan 8.150 nan 0.000 0.508 107 D N -1.330 119.137 120.400 0.112 0.000 2.369 107 D HA 0.161 4.785 4.640 -0.027 0.000 0.211 107 D C -0.129 176.248 176.300 0.128 0.000 1.077 107 D CA 0.031 54.099 54.000 0.112 0.000 0.842 107 D CB 0.101 40.965 40.800 0.107 0.000 0.947 107 D HN 0.033 nan 8.370 nan 0.000 0.509 108 V N 1.920 121.923 119.914 0.148 0.000 2.383 108 V HA 0.315 4.418 4.120 -0.027 0.000 0.275 108 V C 0.506 176.618 176.094 0.030 0.000 1.036 108 V CA -0.895 61.474 62.300 0.115 0.000 0.889 108 V CB 0.965 32.896 31.823 0.181 0.000 0.985 108 V HN 0.125 nan 8.190 nan 0.000 0.459 109 R N 5.263 125.713 120.500 -0.084 0.000 2.615 109 R HA 0.257 4.581 4.340 -0.027 0.000 0.270 109 R C -1.630 174.389 176.300 -0.468 0.000 1.081 109 R CA -2.255 53.592 56.100 -0.421 0.000 1.154 109 R CB 0.204 30.363 30.300 -0.235 0.000 1.063 109 R HN 0.338 nan 8.270 nan 0.000 0.519 110 P HA -0.118 nan 4.420 nan 0.000 0.214 110 P C -1.375 175.846 177.300 -0.131 0.000 1.163 110 P CA 1.701 64.512 63.100 -0.481 0.000 0.889 110 P CB -0.534 30.776 31.700 -0.651 0.000 0.790 111 P HA -0.163 nan 4.420 nan 0.000 0.215 111 P C 1.404 178.864 177.300 0.268 0.000 1.157 111 P CA 1.549 64.725 63.100 0.126 0.000 0.868 111 P CB -0.369 31.384 31.700 0.089 0.000 0.788 112 E N -1.036 119.260 120.200 0.160 0.000 2.153 112 E HA -0.155 4.179 4.350 -0.027 0.000 0.194 112 E C 2.149 178.825 176.600 0.126 0.000 0.988 112 E CA 0.837 57.345 56.400 0.180 0.000 0.811 112 E CB -0.422 29.360 29.700 0.136 0.000 0.746 112 E HN 0.092 nan 8.360 nan 0.000 0.466 113 R N -0.848 119.709 120.500 0.095 0.000 2.092 113 R HA -0.155 4.169 4.340 -0.027 0.000 0.231 113 R C 2.034 178.391 176.300 0.095 0.000 1.119 113 R CA 1.145 57.292 56.100 0.078 0.000 0.970 113 R CB -0.214 30.133 30.300 0.078 0.000 0.864 113 R HN 0.269 nan 8.270 nan 0.000 0.440 114 Y N 0.527 120.862 120.300 0.059 0.000 2.163 114 Y HA -0.228 4.306 4.550 -0.026 0.000 0.288 114 Y C 1.713 177.644 175.900 0.051 0.000 1.136 114 Y CA 1.384 59.531 58.100 0.078 0.000 1.147 114 Y CB -0.124 38.436 38.460 0.168 0.000 0.987 114 Y HN -0.003 nan 8.280 nan 0.000 0.509 115 L N -0.007 121.370 121.223 0.257 0.000 1.976 115 L HA -0.274 4.050 4.340 -0.027 0.000 0.209 115 L C 2.673 179.533 176.870 -0.016 0.000 1.071 115 L CA 2.195 57.122 54.840 0.144 0.000 0.746 115 L CB -1.484 40.730 42.059 0.257 0.000 0.890 115 L HN 0.379 nan 8.230 nan 0.000 0.432 116 M N -0.713 118.806 119.600 -0.134 0.000 2.089 116 M HA -0.263 4.200 4.480 -0.027 0.000 0.257 116 M C 1.644 177.674 176.300 -0.450 0.000 1.071 116 M CA 1.824 56.808 55.300 -0.527 0.000 1.096 116 M CB -0.089 32.208 32.600 -0.506 0.000 1.330 116 M HN 0.249 nan 8.290 nan 0.000 0.403 117 E N -0.617 119.383 120.200 -0.332 0.000 2.489 117 E HA -0.048 4.286 4.350 -0.027 0.000 0.193 117 E C 1.165 177.591 176.600 -0.290 0.000 1.057 117 E CA 0.436 56.610 56.400 -0.377 0.000 0.866 117 E CB 0.094 29.631 29.700 -0.272 0.000 0.916 117 E HN 0.441 nan 8.360 nan 0.000 0.500 118 R N -0.842 119.531 120.500 -0.212 0.000 2.397 118 R HA 0.189 4.513 4.340 -0.027 0.000 0.241 118 R C -0.296 176.125 176.300 0.202 0.000 0.914 118 R CA -0.197 55.881 56.100 -0.035 0.000 1.071 118 R CB -0.150 30.064 30.300 -0.144 0.000 1.116 118 R HN -0.020 nan 8.270 nan 0.000 0.524 119 F N -1.146 118.780 119.950 -0.039 0.000 2.988 119 F HA -0.274 4.237 4.527 -0.027 0.000 0.287 119 F C 0.008 175.841 175.800 0.054 0.000 0.781 119 F CA 0.162 58.172 58.000 0.016 0.000 1.221 119 F CB -1.693 37.314 39.000 0.012 0.000 1.392 119 F HN -0.031 nan 8.300 nan 0.000 0.425 120 I N -0.708 119.957 120.570 0.158 0.000 2.764 120 I HA 0.263 4.417 4.170 -0.027 0.000 0.294 120 I C 1.181 177.385 176.117 0.144 0.000 1.045 120 I CA 0.772 62.143 61.300 0.119 0.000 1.340 120 I CB 1.530 39.563 38.000 0.056 0.000 1.436 120 I HN 0.233 nan 8.210 nan 0.000 0.567 121 T N 0.776 115.353 114.554 0.037 0.000 3.413 121 T HA 0.136 4.470 4.350 -0.027 0.000 0.187 121 T C 1.130 175.733 174.700 -0.161 0.000 0.961 121 T CA 0.606 62.682 62.100 -0.040 0.000 1.085 121 T CB 0.257 69.109 68.868 -0.026 0.000 1.345 121 T HN 0.578 nan 8.240 nan 0.000 0.326 122 S N 0.835 116.362 115.700 -0.288 0.000 2.930 122 S HA 0.417 4.871 4.470 -0.027 0.000 0.253 122 S C -2.470 171.655 174.600 -0.790 0.000 1.083 122 S CA -0.167 57.674 58.200 -0.598 0.000 0.836 122 S CB 0.608 63.297 63.200 -0.850 0.000 0.814 122 S HN 0.367 nan 8.310 nan 0.000 0.467 123 P HA 0.396 nan 4.420 nan 0.000 0.278 123 P C -0.864 176.368 177.300 -0.112 0.000 1.238 123 P CA -0.017 62.911 63.100 -0.287 0.000 0.794 123 P CB 1.419 33.089 31.700 -0.051 0.000 0.955 124 V N -1.377 118.489 119.914 -0.080 0.000 3.282 124 V HA 0.589 4.693 4.120 -0.027 0.000 0.295 124 V C -1.987 174.097 176.094 -0.017 0.000 1.451 124 V CA -1.127 61.178 62.300 0.008 0.000 1.062 124 V CB 1.488 33.301 31.823 -0.017 0.000 1.128 124 V HN 0.401 nan 8.190 nan 0.000 0.456 125 W N 0.319 121.663 121.300 0.073 0.000 2.606 125 W HA 0.823 5.466 4.660 -0.028 0.000 0.332 125 W C -0.439 176.089 176.519 0.016 0.000 1.052 125 W CA -0.746 56.626 57.345 0.045 0.000 1.223 125 W CB 2.033 31.500 29.460 0.012 0.000 1.383 125 W HN 0.670 nan 8.180 nan 0.000 0.524 126 V N 3.706 123.788 119.914 0.280 0.000 2.577 126 V HA 0.523 4.627 4.120 -0.027 0.000 0.303 126 V C -0.889 175.299 176.094 0.157 0.000 1.042 126 V CA -0.516 61.885 62.300 0.169 0.000 0.872 126 V CB 1.389 33.268 31.823 0.093 0.000 0.998 126 V HN 0.648 nan 8.190 nan 0.000 0.423 127 E N 4.730 125.009 120.200 0.130 0.000 2.238 127 E HA 0.851 5.185 4.350 -0.027 0.000 0.267 127 E C -0.127 176.527 176.600 0.090 0.000 0.887 127 E CA -0.563 55.904 56.400 0.112 0.000 0.769 127 E CB 2.459 32.217 29.700 0.097 0.000 1.187 127 E HN 1.111 nan 8.360 nan 0.000 0.416 128 G N 1.565 110.415 108.800 0.084 0.000 2.340 128 G HA2 0.209 4.152 3.960 -0.027 0.000 0.299 128 G HA3 0.209 4.152 3.960 -0.027 0.000 0.299 128 G C -1.868 173.071 174.900 0.064 0.000 1.291 128 G CA -0.825 44.312 45.100 0.061 0.000 0.841 128 G HN 0.420 nan 8.290 nan 0.000 0.500 129 D N 0.682 121.111 120.400 0.050 0.000 2.233 129 D HA 0.470 5.094 4.640 -0.027 0.000 0.240 129 D C 0.242 176.585 176.300 0.071 0.000 1.074 129 D CA -0.302 53.733 54.000 0.059 0.000 0.838 129 D CB 1.959 42.783 40.800 0.040 0.000 1.124 129 D HN 0.497 nan 8.370 nan 0.000 0.475 130 M N 2.599 122.246 119.600 0.078 0.000 2.217 130 M HA 0.123 4.587 4.480 -0.027 0.000 0.354 130 M C -0.721 175.656 176.300 0.127 0.000 1.225 130 M CA 0.295 55.640 55.300 0.075 0.000 1.137 130 M CB 0.511 33.141 32.600 0.050 0.000 1.576 130 M HN 0.377 nan 8.290 nan 0.000 0.461 131 H N 4.947 124.014 119.070 -0.005 0.000 3.275 131 H HA 0.221 4.764 4.556 -0.022 0.000 0.326 131 H C -0.860 174.461 175.328 -0.011 0.000 1.096 131 H CA -0.189 55.856 56.048 -0.005 0.000 1.579 131 H CB 0.341 30.100 29.762 -0.006 0.000 1.834 131 H HN 0.976 nan 8.280 nan 0.000 0.510 132 N N 3.075 121.575 118.700 -0.332 0.000 2.818 132 N HA -0.162 4.562 4.740 -0.027 0.000 0.250 132 N C 1.081 176.527 175.510 -0.107 0.000 1.108 132 N CA 1.843 54.740 53.050 -0.255 0.000 0.745 132 N CB -1.383 36.910 38.487 -0.323 0.000 1.104 132 N HN 1.053 nan 8.380 nan 0.000 0.557 133 G N -3.000 105.760 108.800 -0.068 0.000 2.195 133 G HA2 -0.276 3.668 3.960 -0.027 0.000 0.246 133 G HA3 -0.276 3.668 3.960 -0.027 0.000 0.246 133 G C 0.102 174.971 174.900 -0.053 0.000 0.984 133 G CA 0.553 45.628 45.100 -0.041 0.000 0.633 133 G HN 0.576 nan 8.290 nan 0.000 0.525 134 T N 1.125 115.649 114.554 -0.051 0.000 2.824 134 T HA 0.597 4.931 4.350 -0.027 0.000 0.282 134 T C 0.338 175.026 174.700 -0.020 0.000 0.993 134 T CA -0.469 61.586 62.100 -0.074 0.000 0.967 134 T CB 1.749 70.573 68.868 -0.073 0.000 0.960 134 T HN 0.228 nan 8.240 nan 0.000 0.441 135 I N 4.623 125.173 120.570 -0.032 0.000 2.260 135 I HA 0.151 4.305 4.170 -0.027 0.000 0.297 135 I C 0.834 176.957 176.117 0.009 0.000 1.143 135 I CA -0.434 60.871 61.300 0.008 0.000 1.271 135 I CB 0.053 38.061 38.000 0.013 0.000 1.461 135 I HN 0.422 nan 8.210 nan 0.000 0.530 136 V N 3.046 122.976 119.914 0.027 0.000 3.083 136 V HA 0.363 4.467 4.120 -0.027 0.000 0.306 136 V C 0.537 176.636 176.094 0.008 0.000 1.077 136 V CA -0.675 61.631 62.300 0.010 0.000 1.073 136 V CB 0.753 32.580 31.823 0.006 0.000 1.081 136 V HN 0.926 nan 8.190 nan 0.000 0.474 137 N N 0.491 119.189 118.700 -0.003 0.000 2.608 137 N HA -0.024 4.700 4.740 -0.027 0.000 0.273 137 N C -0.380 175.143 175.510 0.021 0.000 1.133 137 N CA 0.856 53.908 53.050 0.004 0.000 0.726 137 N CB -0.935 37.550 38.487 -0.004 0.000 0.890 137 N HN 1.419 nan 8.380 nan 0.000 0.548 138 A N 1.892 124.728 122.820 0.026 0.000 2.386 138 A HA 0.913 5.217 4.320 -0.027 0.000 0.308 138 A C -0.202 177.425 177.584 0.073 0.000 1.128 138 A CA -0.740 51.326 52.037 0.049 0.000 0.789 138 A CB 1.399 20.428 19.000 0.048 0.000 1.325 138 A HN 0.440 nan 8.150 nan 0.000 0.437 139 R N 0.996 121.567 120.500 0.118 0.000 2.522 139 R HA 0.639 4.963 4.340 -0.027 0.000 0.283 139 R C -1.923 174.504 176.300 0.211 0.000 1.074 139 R CA -0.587 55.645 56.100 0.220 0.000 0.925 139 R CB 0.549 30.968 30.300 0.198 0.000 1.205 139 R HN 0.539 nan 8.270 nan 0.000 0.436 140 L N 2.134 123.536 121.223 0.298 0.000 2.322 140 L HA 0.690 5.014 4.340 -0.027 0.000 0.269 140 L C -0.146 176.831 176.870 0.179 0.000 1.012 140 L CA -1.136 53.827 54.840 0.206 0.000 0.815 140 L CB 1.454 43.587 42.059 0.123 0.000 1.295 140 L HN 0.734 nan 8.230 nan 0.000 0.438 141 K N -0.162 120.339 120.400 0.168 0.000 2.509 141 K HA 0.635 4.939 4.320 -0.027 0.000 0.266 141 K C -3.199 173.522 176.600 0.202 0.000 0.987 141 K CA -2.038 54.334 56.287 0.141 0.000 0.868 141 K CB 1.972 34.539 32.500 0.113 0.000 1.421 141 K HN 0.123 nan 8.250 nan 0.000 0.444 142 P HA 0.084 nan 4.420 nan 0.000 0.267 142 P C -1.163 176.308 177.300 0.286 0.000 1.200 142 P CA 0.247 63.462 63.100 0.193 0.000 0.772 142 P CB 0.196 31.993 31.700 0.161 0.000 0.855 143 H N 3.501 122.637 119.070 0.110 0.000 2.529 143 H HA 0.303 4.843 4.556 -0.027 0.000 0.348 143 H C -1.398 173.975 175.328 0.076 0.000 1.079 143 H CA -2.168 53.910 56.048 0.049 0.000 1.198 143 H CB 1.733 31.342 29.762 -0.256 0.000 1.521 143 H HN 0.301 nan 8.280 nan 0.000 0.514 144 P HA -0.093 nan 4.420 nan 0.000 0.216 144 P C 0.027 177.485 177.300 0.263 0.000 1.153 144 P CA 1.249 64.513 63.100 0.274 0.000 0.844 144 P CB 0.545 32.370 31.700 0.210 0.000 0.787 145 D N -3.795 116.817 120.400 0.352 0.000 2.556 145 D HA 0.005 4.629 4.640 -0.027 0.000 0.237 145 D C 0.077 176.359 176.300 -0.029 0.000 1.296 145 D CA -0.869 53.217 54.000 0.143 0.000 0.807 145 D CB -1.276 39.609 40.800 0.141 0.000 1.084 145 D HN 0.080 nan 8.370 nan 0.000 0.510 146 Y N 2.104 122.117 120.300 -0.479 0.000 2.497 146 Y HA 0.384 4.917 4.550 -0.029 0.000 0.334 146 Y C -0.027 175.807 175.900 -0.108 0.000 1.199 146 Y CA 0.132 57.908 58.100 -0.539 0.000 1.425 146 Y CB 0.526 38.364 38.460 -1.037 0.000 1.291 146 Y HN -0.192 nan 8.280 nan 0.000 0.562 147 R N 6.695 126.672 120.500 -0.873 0.000 2.533 147 R HA 0.325 4.649 4.340 -0.027 0.000 0.288 147 R C -2.904 172.864 176.300 -0.887 0.000 1.039 147 R CA -1.993 53.764 56.100 -0.571 0.000 0.909 147 R CB 1.636 31.733 30.300 -0.339 0.000 1.195 147 R HN 0.524 nan 8.270 nan 0.000 0.438 148 P HA 0.400 nan 4.420 nan 0.000 0.276 148 P C -2.544 174.646 177.300 -0.183 0.000 1.252 148 P CA -1.484 61.445 63.100 -0.285 0.000 0.802 148 P CB 0.250 31.933 31.700 -0.029 0.000 1.035 149 P HA 0.497 nan 4.420 nan 0.000 0.300 149 P C -0.765 176.545 177.300 0.017 0.000 1.326 149 P CA -0.190 62.891 63.100 -0.032 0.000 0.844 149 P CB 0.926 32.623 31.700 -0.005 0.000 0.992 150 L N 2.597 123.843 121.223 0.039 0.000 2.333 150 L HA 0.586 4.910 4.340 -0.027 0.000 0.263 150 L C 0.084 177.009 176.870 0.093 0.000 1.014 150 L CA -0.884 54.027 54.840 0.120 0.000 0.820 150 L CB 2.295 44.492 42.059 0.230 0.000 1.352 150 L HN 0.142 nan 8.230 nan 0.000 0.421 151 K N 1.390 121.886 120.400 0.161 0.000 2.376 151 K HA 0.449 4.753 4.320 -0.027 0.000 0.257 151 K C -1.639 175.176 176.600 0.357 0.000 0.939 151 K CA -0.714 55.637 56.287 0.107 0.000 0.809 151 K CB 1.987 34.529 32.500 0.070 0.000 1.121 151 K HN 0.256 nan 8.250 nan 0.000 0.425 152 W N 1.449 122.753 121.300 0.006 0.000 2.485 152 W HA 0.587 5.229 4.660 -0.029 0.000 0.364 152 W C -0.188 176.328 176.519 -0.004 0.000 1.171 152 W CA -1.124 56.205 57.345 -0.028 0.000 1.304 152 W CB 0.581 29.981 29.460 -0.100 0.000 1.335 152 W HN 0.136 nan 8.180 nan 0.000 0.643 153 V N 1.690 121.744 119.914 0.234 0.000 2.623 153 V HA 0.450 4.554 4.120 -0.027 0.000 0.304 153 V C -0.763 175.323 176.094 -0.013 0.000 1.054 153 V CA -0.638 61.712 62.300 0.083 0.000 0.882 153 V CB 1.775 33.579 31.823 -0.031 0.000 1.002 153 V HN 0.531 nan 8.190 nan 0.000 0.424 154 S N 7.171 122.838 115.700 -0.055 0.000 2.429 154 S HA 0.669 5.123 4.470 -0.027 0.000 0.302 154 S C -0.660 173.863 174.600 -0.127 0.000 1.115 154 S CA -0.500 57.642 58.200 -0.097 0.000 1.095 154 S CB 0.817 63.966 63.200 -0.085 0.000 0.987 154 S HN 0.762 nan 8.310 nan 0.000 0.474 155 I N 4.024 124.534 120.570 -0.100 0.000 2.603 155 I HA 0.599 4.753 4.170 -0.027 0.000 0.300 155 I C -1.235 174.846 176.117 -0.060 0.000 1.017 155 I CA -0.415 60.823 61.300 -0.103 0.000 1.098 155 I CB 1.598 39.558 38.000 -0.067 0.000 1.279 155 I HN 0.617 nan 8.210 nan 0.000 0.437 156 D N 6.882 127.241 120.400 -0.068 0.000 2.655 156 D HA 0.512 5.136 4.640 -0.027 0.000 0.229 156 D C -1.451 174.837 176.300 -0.020 0.000 1.229 156 D CA -0.283 53.704 54.000 -0.020 0.000 0.807 156 D CB 2.568 43.343 40.800 -0.042 0.000 1.514 156 D HN 0.556 nan 8.370 nan 0.000 0.444 157 I N -1.320 119.268 120.570 0.030 0.000 2.865 157 I HA 0.650 4.804 4.170 -0.027 0.000 0.302 157 I C -1.071 175.118 176.117 0.120 0.000 1.140 157 I CA -0.688 60.621 61.300 0.015 0.000 1.021 157 I CB 2.665 40.605 38.000 -0.100 0.000 1.233 157 I HN -0.027 nan 8.210 nan 0.000 0.427 158 E N 2.848 123.116 120.200 0.114 0.000 2.187 158 E HA 0.504 4.838 4.350 -0.027 0.000 0.268 158 E C -1.025 175.605 176.600 0.051 0.000 0.896 158 E CA -0.431 56.067 56.400 0.163 0.000 0.766 158 E CB 2.468 32.310 29.700 0.237 0.000 1.142 158 E HN 0.782 nan 8.360 nan 0.000 0.408 159 T N 0.214 114.755 114.554 -0.022 0.000 2.916 159 T HA 0.453 4.786 4.350 -0.027 0.000 0.292 159 T C -0.012 174.369 174.700 -0.531 0.000 1.064 159 T CA -0.438 61.524 62.100 -0.231 0.000 1.011 159 T CB 1.377 70.265 68.868 0.033 0.000 1.152 159 T HN 0.507 nan 8.240 nan 0.000 0.510 160 T N 0.715 114.851 114.554 -0.697 0.000 2.766 160 T HA 0.311 4.645 4.350 -0.027 0.000 0.295 160 T C 1.465 175.987 174.700 -0.296 0.000 1.024 160 T CA -0.221 61.509 62.100 -0.616 0.000 1.018 160 T CB 0.429 69.067 68.868 -0.383 0.000 1.002 160 T HN 0.709 nan 8.240 nan 0.000 0.532 161 R N -0.183 120.137 120.500 -0.300 0.000 2.139 161 R HA -0.109 4.215 4.340 -0.027 0.000 0.243 161 R C 1.979 178.094 176.300 -0.308 0.000 1.145 161 R CA 1.987 57.894 56.100 -0.323 0.000 0.976 161 R CB -0.555 29.482 30.300 -0.439 0.000 0.866 161 R HN 0.790 nan 8.270 nan 0.000 0.449 162 H N -1.566 117.473 119.070 -0.052 0.000 2.539 162 H HA 0.207 4.747 4.556 -0.027 0.000 0.267 162 H C 1.182 176.495 175.328 -0.025 0.000 0.982 162 H CA 0.302 56.330 56.048 -0.034 0.000 1.146 162 H CB 0.773 30.514 29.762 -0.035 0.000 1.382 162 H HN 0.453 nan 8.280 nan 0.000 0.577 163 G N 0.739 109.568 108.800 0.049 0.000 2.175 163 G HA2 -0.317 3.627 3.960 -0.027 0.000 0.244 163 G HA3 -0.317 3.627 3.960 -0.027 0.000 0.244 163 G C 0.115 175.079 174.900 0.107 0.000 0.982 163 G CA -0.000 45.156 45.100 0.094 0.000 0.641 163 G HN 0.466 nan 8.290 nan 0.000 0.527 164 E N -0.212 120.011 120.200 0.040 0.000 2.392 164 E HA 0.425 4.759 4.350 -0.027 0.000 0.264 164 E C 0.202 176.821 176.600 0.031 0.000 1.024 164 E CA -0.589 55.863 56.400 0.087 0.000 0.903 164 E CB 0.486 30.219 29.700 0.054 0.000 0.963 164 E HN 0.227 nan 8.360 nan 0.000 0.432 165 L N 5.993 127.338 121.223 0.204 0.000 2.283 165 L HA 0.100 4.424 4.340 -0.027 0.000 0.287 165 L C -0.324 176.574 176.870 0.048 0.000 1.073 165 L CA 0.320 55.178 54.840 0.030 0.000 0.822 165 L CB 0.108 42.121 42.059 -0.076 0.000 1.186 165 L HN 0.655 nan 8.230 nan 0.000 0.436 166 Y N 3.905 124.114 120.300 -0.152 0.000 2.206 166 Y HA 0.100 4.633 4.550 -0.028 0.000 0.292 166 Y C 1.201 177.056 175.900 -0.076 0.000 1.123 166 Y CA -0.015 57.887 58.100 -0.330 0.000 1.142 166 Y CB -0.174 37.972 38.460 -0.523 0.000 1.006 166 Y HN 0.708 nan 8.280 nan 0.000 0.518 167 C N -1.378 118.019 119.300 0.161 0.000 3.303 167 C HA 0.702 5.146 4.460 -0.027 0.000 0.340 167 C C -0.970 174.064 174.990 0.073 0.000 1.274 167 C CA -1.679 57.419 59.018 0.133 0.000 1.234 167 C CB 0.521 28.352 27.740 0.152 0.000 1.532 167 C HN 0.089 nan 8.230 nan 0.000 0.483 168 I N 1.837 122.452 120.570 0.074 0.000 2.466 168 I HA 0.654 4.808 4.170 -0.027 0.000 0.289 168 I C 0.495 176.627 176.117 0.024 0.000 1.026 168 I CA -0.227 61.090 61.300 0.028 0.000 1.078 168 I CB 2.125 40.131 38.000 0.010 0.000 1.249 168 I HN 1.088 nan 8.210 nan 0.000 0.429 169 G N 7.085 115.850 108.800 -0.059 0.000 2.605 169 G HA2 0.691 4.635 3.960 -0.027 0.000 0.304 169 G HA3 0.691 4.635 3.960 -0.027 0.000 0.304 169 G C -1.061 173.716 174.900 -0.205 0.000 1.333 169 G CA -0.360 44.659 45.100 -0.135 0.000 0.973 169 G HN 0.388 nan 8.290 nan 0.000 0.507 170 L N 2.057 123.100 121.223 -0.301 0.000 2.287 170 L HA 0.527 4.851 4.340 -0.027 0.000 0.287 170 L C 0.128 176.787 176.870 -0.353 0.000 1.022 170 L CA -0.544 54.012 54.840 -0.473 0.000 0.814 170 L CB 1.991 43.438 42.059 -1.022 0.000 1.217 170 L HN 0.462 nan 8.230 nan 0.000 0.420 171 E N 3.274 123.330 120.200 -0.239 0.000 2.216 171 E HA 0.682 5.016 4.350 -0.027 0.000 0.260 171 E C -0.665 175.923 176.600 -0.019 0.000 0.880 171 E CA -0.345 55.989 56.400 -0.110 0.000 0.765 171 E CB 1.943 31.580 29.700 -0.105 0.000 1.174 171 E HN 0.756 nan 8.360 nan 0.000 0.417 172 G N 1.340 110.182 108.800 0.070 0.000 2.359 172 G HA2 0.022 3.966 3.960 -0.027 0.000 0.293 172 G HA3 0.022 3.966 3.960 -0.027 0.000 0.293 172 G C -0.304 174.712 174.900 0.194 0.000 1.300 172 G CA -0.214 44.955 45.100 0.114 0.000 0.888 172 G HN 0.647 nan 8.290 nan 0.000 0.541 173 C N 0.003 119.389 119.300 0.143 0.000 4.268 173 C HA 0.085 4.529 4.460 -0.027 0.000 0.299 173 C C 2.078 177.145 174.990 0.128 0.000 1.429 173 C CA 1.708 60.810 59.018 0.140 0.000 2.018 173 C CB -1.676 26.184 27.740 0.199 0.000 1.277 173 C HN 2.945 nan 8.230 nan 0.000 0.767 174 G N 0.472 109.313 108.800 0.068 0.000 2.356 174 G HA2 -0.228 3.715 3.960 -0.027 0.000 0.296 174 G HA3 -0.228 3.715 3.960 -0.027 0.000 0.296 174 G C -0.222 174.728 174.900 0.083 0.000 1.022 174 G CA 1.044 46.174 45.100 0.050 0.000 0.961 174 G HN 0.889 nan 8.290 nan 0.000 0.510 175 Q N -1.437 118.424 119.800 0.102 0.000 2.377 175 Q HA 0.623 4.947 4.340 -0.027 0.000 0.279 175 Q C -0.352 175.693 176.000 0.075 0.000 1.049 175 Q CA -0.915 54.950 55.803 0.103 0.000 0.825 175 Q CB 2.137 30.946 28.738 0.119 0.000 1.401 175 Q HN 0.415 nan 8.270 nan 0.000 0.404 176 R N 1.288 121.818 120.500 0.049 0.000 2.502 176 R HA 0.686 5.010 4.340 -0.027 0.000 0.298 176 R C -0.960 175.344 176.300 0.006 0.000 1.018 176 R CA -0.219 55.879 56.100 -0.005 0.000 0.899 176 R CB 1.901 32.204 30.300 0.005 0.000 1.181 176 R HN 0.624 nan 8.270 nan 0.000 0.444 177 I N 1.622 122.143 120.570 -0.082 0.000 3.195 177 I HA 0.641 4.794 4.170 -0.027 0.000 0.313 177 I C -1.468 174.522 176.117 -0.211 0.000 1.237 177 I CA -1.197 60.032 61.300 -0.119 0.000 0.963 177 I CB 2.593 40.481 38.000 -0.188 0.000 1.278 177 I HN 0.319 nan 8.210 nan 0.000 0.460 178 V N 3.521 123.277 119.914 -0.265 0.000 2.932 178 V HA 0.442 4.546 4.120 -0.027 0.000 0.307 178 V C -1.706 174.165 176.094 -0.372 0.000 1.147 178 V CA -0.556 61.613 62.300 -0.219 0.000 0.951 178 V CB 2.123 33.892 31.823 -0.091 0.000 1.031 178 V HN 0.537 nan 8.190 nan 0.000 0.426 179 Y N 3.703 123.967 120.300 -0.060 0.000 2.364 179 Y HA 0.815 5.347 4.550 -0.030 0.000 0.340 179 Y C 0.125 175.998 175.900 -0.045 0.000 0.975 179 Y CA -0.467 57.604 58.100 -0.048 0.000 1.089 179 Y CB 2.104 40.552 38.460 -0.020 0.000 1.192 179 Y HN 0.684 nan 8.280 nan 0.000 0.454 180 M N 2.962 122.587 119.600 0.041 0.000 2.691 180 M HA 0.654 5.118 4.480 -0.027 0.000 0.293 180 M C -2.241 174.171 176.300 0.186 0.000 1.259 180 M CA -0.964 54.358 55.300 0.037 0.000 0.827 180 M CB 2.007 34.435 32.600 -0.287 0.000 1.753 180 M HN 0.590 nan 8.290 nan 0.000 0.465 181 L N 1.541 122.969 121.223 0.342 0.000 2.307 181 L HA 0.841 5.164 4.340 -0.027 0.000 0.284 181 L C 0.045 177.143 176.870 0.379 0.000 1.023 181 L CA -0.063 55.001 54.840 0.374 0.000 0.810 181 L CB 1.497 43.820 42.059 0.439 0.000 1.231 181 L HN 0.784 nan 8.230 nan 0.000 0.423 182 G N 4.373 113.339 108.800 0.277 0.000 2.664 182 G HA2 0.400 4.344 3.960 -0.027 0.000 0.242 182 G HA3 0.400 4.344 3.960 -0.027 0.000 0.242 182 G C -2.601 172.327 174.900 0.048 0.000 1.225 182 G CA -0.630 44.551 45.100 0.136 0.000 0.849 182 G HN 0.546 nan 8.290 nan 0.000 0.581 183 P HA 0.261 nan 4.420 nan 0.000 0.287 183 P C -0.188 176.927 177.300 -0.309 0.000 1.296 183 P CA -0.711 62.298 63.100 -0.151 0.000 0.811 183 P CB 0.817 32.438 31.700 -0.131 0.000 1.211 184 E N 0.082 119.969 120.200 -0.523 0.000 2.392 184 E HA 0.260 4.594 4.350 -0.027 0.000 0.259 184 E C -0.546 175.851 176.600 -0.339 0.000 1.108 184 E CA -0.387 55.570 56.400 -0.738 0.000 0.916 184 E CB 0.465 29.675 29.700 -0.817 0.000 0.989 184 E HN 0.303 nan 8.360 nan 0.000 0.432 185 N N -0.502 118.063 118.700 -0.224 0.000 2.647 185 N HA 0.384 5.108 4.740 -0.027 0.000 0.266 185 N C -0.175 175.294 175.510 -0.067 0.000 1.373 185 N CA -0.316 52.657 53.050 -0.129 0.000 0.807 185 N CB 1.864 40.282 38.487 -0.115 0.000 1.513 185 N HN 0.773 nan 8.380 nan 0.000 0.505 186 G N 1.000 109.767 108.800 -0.055 0.000 2.574 186 G HA2 -0.282 3.661 3.960 -0.027 0.000 0.295 186 G HA3 -0.282 3.661 3.960 -0.027 0.000 0.295 186 G C -0.676 174.209 174.900 -0.025 0.000 1.300 186 G CA 0.269 45.351 45.100 -0.030 0.000 0.944 186 G HN 0.689 nan 8.290 nan 0.000 0.551 187 D N -0.056 120.336 120.400 -0.013 0.000 2.425 187 D HA 0.691 5.315 4.640 -0.027 0.000 0.240 187 D C 0.732 177.023 176.300 -0.016 0.000 1.080 187 D CA 0.496 54.485 54.000 -0.018 0.000 0.836 187 D CB 1.032 41.820 40.800 -0.020 0.000 1.125 187 D HN 0.856 nan 8.370 nan 0.000 0.525 188 A N 2.733 125.543 122.820 -0.016 0.000 2.308 188 A HA 0.074 4.378 4.320 -0.027 0.000 0.217 188 A C 1.915 179.456 177.584 -0.072 0.000 1.216 188 A CA 0.621 52.641 52.037 -0.030 0.000 0.864 188 A CB -0.247 18.767 19.000 0.024 0.000 0.902 188 A HN 0.515 nan 8.150 nan 0.000 0.499 189 S N -0.027 115.639 115.700 -0.056 0.000 2.368 189 S HA -0.113 4.341 4.470 -0.027 0.000 0.225 189 S C 1.695 176.246 174.600 -0.082 0.000 1.030 189 S CA 2.016 60.178 58.200 -0.062 0.000 0.999 189 S CB -0.480 62.694 63.200 -0.043 0.000 0.844 189 S HN 0.334 nan 8.310 nan 0.000 0.459 190 S N 1.329 116.981 115.700 -0.080 0.000 2.603 190 S HA 0.345 4.799 4.470 -0.027 0.000 0.220 190 S C 0.025 174.553 174.600 -0.119 0.000 0.967 190 S CA -0.266 57.887 58.200 -0.079 0.000 0.920 190 S CB -0.421 62.751 63.200 -0.047 0.000 0.773 190 S HN 0.310 nan 8.310 nan 0.000 0.529 191 L N 2.826 123.916 121.223 -0.222 0.000 2.439 191 L HA 0.173 4.497 4.340 -0.027 0.000 0.269 191 L C 0.724 177.392 176.870 -0.336 0.000 1.179 191 L CA 0.104 54.691 54.840 -0.422 0.000 0.828 191 L CB 0.270 41.799 42.059 -0.885 0.000 1.106 191 L HN 0.107 nan 8.230 nan 0.000 0.467 192 D N 0.786 121.049 120.400 -0.228 0.000 2.894 192 D HA 0.260 4.883 4.640 -0.027 0.000 0.273 192 D C -0.470 175.868 176.300 0.063 0.000 1.328 192 D CA -0.207 53.760 54.000 -0.055 0.000 0.845 192 D CB -0.381 40.441 40.800 0.037 0.000 1.072 192 D HN 0.230 nan 8.370 nan 0.000 0.484 193 F N -2.027 117.903 119.950 -0.033 0.000 2.686 193 F HA 0.569 5.079 4.527 -0.029 0.000 0.311 193 F C -0.334 175.430 175.800 -0.060 0.000 1.128 193 F CA -1.388 56.583 58.000 -0.048 0.000 0.946 193 F CB 0.856 39.821 39.000 -0.059 0.000 1.336 193 F HN -0.314 nan 8.300 nan 0.000 0.457 194 E N 1.152 121.443 120.200 0.150 0.000 2.371 194 E HA 0.528 4.862 4.350 -0.027 0.000 0.257 194 E C -1.504 175.131 176.600 0.058 0.000 1.134 194 E CA -0.819 55.587 56.400 0.010 0.000 0.919 194 E CB 1.783 31.469 29.700 -0.024 0.000 1.025 194 E HN 0.588 nan 8.360 nan 0.000 0.438 195 L N 1.039 122.215 121.223 -0.078 0.000 2.526 195 L HA 0.319 4.643 4.340 -0.027 0.000 0.263 195 L C -1.425 175.336 176.870 -0.182 0.000 0.943 195 L CA -0.185 54.581 54.840 -0.123 0.000 0.859 195 L CB 2.131 44.116 42.059 -0.123 0.000 1.313 195 L HN 0.642 nan 8.230 nan 0.000 0.406 196 E N 2.801 122.839 120.200 -0.271 0.000 2.288 196 E HA 0.558 4.892 4.350 -0.027 0.000 0.268 196 E C -1.915 174.617 176.600 -0.114 0.000 0.885 196 E CA -0.535 55.797 56.400 -0.113 0.000 0.767 196 E CB 1.629 31.268 29.700 -0.102 0.000 1.220 196 E HN 0.566 nan 8.360 nan 0.000 0.427 197 Y N 1.570 121.921 120.300 0.085 0.000 2.429 197 Y HA 0.498 5.031 4.550 -0.027 0.000 0.342 197 Y C -0.554 175.415 175.900 0.115 0.000 1.004 197 Y CA -0.587 57.571 58.100 0.096 0.000 1.075 197 Y CB 2.011 40.502 38.460 0.052 0.000 1.214 197 Y HN 0.318 nan 8.280 nan 0.000 0.455 198 V N 0.171 120.259 119.914 0.291 0.000 2.876 198 V HA 0.697 4.801 4.120 -0.027 0.000 0.312 198 V C 0.428 176.620 176.094 0.162 0.000 1.085 198 V CA -0.749 61.669 62.300 0.198 0.000 0.945 198 V CB 1.303 33.225 31.823 0.165 0.000 1.017 198 V HN 0.886 nan 8.190 nan 0.000 0.428 199 A N 2.278 125.162 122.820 0.107 0.000 1.930 199 A HA 0.195 4.499 4.320 -0.027 0.000 0.217 199 A C 1.123 178.744 177.584 0.063 0.000 1.175 199 A CA 1.580 53.663 52.037 0.077 0.000 0.627 199 A CB -0.313 18.717 19.000 0.049 0.000 0.815 199 A HN 0.977 nan 8.150 nan 0.000 0.443 200 S N -2.313 113.410 115.700 0.037 0.000 2.667 200 S HA 0.515 4.968 4.470 -0.027 0.000 0.292 200 S C 0.530 175.120 174.600 -0.017 0.000 1.126 200 S CA -0.866 57.331 58.200 -0.006 0.000 0.881 200 S CB 1.485 64.638 63.200 -0.079 0.000 1.132 200 S HN 0.342 nan 8.310 nan 0.000 0.492 201 R N 0.583 121.050 120.500 -0.054 0.000 2.090 201 R HA -0.001 4.322 4.340 -0.027 0.000 0.228 201 R C -1.140 175.065 176.300 -0.159 0.000 1.110 201 R CA 1.057 57.146 56.100 -0.018 0.000 0.973 201 R CB -1.681 28.687 30.300 0.113 0.000 0.869 201 R HN 0.472 nan 8.270 nan 0.000 0.440 202 P HA -0.146 nan 4.420 nan 0.000 0.216 202 P C 1.019 178.232 177.300 -0.145 0.000 1.150 202 P CA 1.370 64.168 63.100 -0.504 0.000 0.837 202 P CB -0.069 31.304 31.700 -0.545 0.000 0.786 203 Q N -1.070 118.666 119.800 -0.107 0.000 2.297 203 Q HA -0.007 4.317 4.340 -0.027 0.000 0.204 203 Q C 2.137 178.112 176.000 -0.041 0.000 0.962 203 Q CA 0.657 56.434 55.803 -0.042 0.000 0.879 203 Q CB -0.486 28.247 28.738 -0.008 0.000 0.947 203 Q HN 0.297 nan 8.270 nan 0.000 0.462 204 L N 0.091 121.296 121.223 -0.030 0.000 2.042 204 L HA -0.218 4.106 4.340 -0.027 0.000 0.210 204 L C 2.130 178.931 176.870 -0.116 0.000 1.076 204 L CA 0.970 55.779 54.840 -0.050 0.000 0.749 204 L CB -0.387 41.673 42.059 0.000 0.000 0.893 204 L HN 0.294 nan 8.230 nan 0.000 0.432 205 L N -0.113 121.079 121.223 -0.052 0.000 2.017 205 L HA -0.205 4.119 4.340 -0.027 0.000 0.208 205 L C 2.516 179.353 176.870 -0.055 0.000 1.073 205 L CA 1.631 56.447 54.840 -0.040 0.000 0.745 205 L CB -0.542 41.544 42.059 0.046 0.000 0.894 205 L HN 0.202 nan 8.230 nan 0.000 0.432 206 E N -0.462 119.714 120.200 -0.039 0.000 2.070 206 E HA -0.276 4.057 4.350 -0.027 0.000 0.197 206 E C 2.086 178.662 176.600 -0.041 0.000 1.004 206 E CA 1.466 57.853 56.400 -0.021 0.000 0.805 206 E CB -0.141 29.555 29.700 -0.006 0.000 0.744 206 E HN 0.477 nan 8.360 nan 0.000 0.451 207 K N 0.389 120.709 120.400 -0.133 0.000 2.147 207 K HA -0.149 4.155 4.320 -0.027 0.000 0.205 207 K C 2.233 178.698 176.600 -0.226 0.000 1.049 207 K CA 0.700 56.840 56.287 -0.246 0.000 0.936 207 K CB -0.180 31.942 32.500 -0.631 0.000 0.722 207 K HN 0.074 nan 8.250 nan 0.000 0.446 208 L N 2.119 123.215 121.223 -0.213 0.000 2.027 208 L HA -0.140 4.184 4.340 -0.027 0.000 0.206 208 L C 1.391 178.368 176.870 0.178 0.000 1.074 208 L CA 1.805 56.627 54.840 -0.030 0.000 0.745 208 L CB -0.842 41.164 42.059 -0.088 0.000 0.898 208 L HN 0.126 nan 8.230 nan 0.000 0.433 209 N N -0.370 118.366 118.700 0.060 0.000 2.104 209 N HA -0.172 4.552 4.740 -0.027 0.000 0.190 209 N C 1.835 177.476 175.510 0.218 0.000 1.024 209 N CA 1.401 54.503 53.050 0.088 0.000 0.853 209 N CB -0.305 38.199 38.487 0.028 0.000 1.008 209 N HN 0.532 nan 8.380 nan 0.000 0.424 210 A N -0.103 122.828 122.820 0.185 0.000 1.930 210 A HA -0.160 4.144 4.320 -0.027 0.000 0.217 210 A C 1.912 179.685 177.584 0.314 0.000 1.175 210 A CA 0.964 53.121 52.037 0.201 0.000 0.627 210 A CB -0.984 18.103 19.000 0.144 0.000 0.815 210 A HN 0.605 nan 8.150 nan 0.000 0.443 211 W N -0.506 120.907 121.300 0.188 0.000 2.358 211 W HA -0.154 4.503 4.660 -0.004 0.000 0.303 211 W C 1.708 178.377 176.519 0.251 0.000 1.208 211 W CA 1.792 59.262 57.345 0.208 0.000 1.274 211 W CB -0.308 29.217 29.460 0.109 0.000 1.138 211 W HN 0.312 nan 8.180 nan 0.000 0.515 212 F N 0.344 120.587 119.950 0.489 0.000 2.186 212 F HA -0.161 4.348 4.527 -0.030 0.000 0.299 212 F C 2.569 178.446 175.800 0.129 0.000 1.090 212 F CA 1.665 59.868 58.000 0.339 0.000 1.307 212 F CB -1.041 38.107 39.000 0.246 0.000 1.019 212 F HN -0.043 nan 8.300 nan 0.000 0.489 213 A N 0.129 123.113 122.820 0.273 0.000 1.908 213 A HA -0.225 4.079 4.320 -0.027 0.000 0.218 213 A C 2.157 179.747 177.584 0.010 0.000 1.181 213 A CA 2.049 54.162 52.037 0.126 0.000 0.627 213 A CB -0.847 18.215 19.000 0.102 0.000 0.818 213 A HN 0.395 nan 8.150 nan 0.000 0.445 214 N N -1.491 117.184 118.700 -0.041 0.000 2.083 214 N HA -0.118 4.605 4.740 -0.027 0.000 0.190 214 N C 1.816 176.995 175.510 -0.551 0.000 1.047 214 N CA 1.863 54.736 53.050 -0.296 0.000 0.845 214 N CB -0.322 37.943 38.487 -0.371 0.000 1.025 214 N HN 0.643 nan 8.380 nan 0.000 0.428 215 Y N 0.594 120.552 120.300 -0.569 0.000 2.263 215 Y HA -0.023 4.526 4.550 -0.002 0.000 0.292 215 Y C 0.684 176.365 175.900 -0.365 0.000 1.130 215 Y CA 0.426 58.135 58.100 -0.652 0.000 1.179 215 Y CB -0.034 37.571 38.460 -1.424 0.000 0.998 215 Y HN 0.097 nan 8.280 nan 0.000 0.532 216 D N 0.623 120.935 120.400 -0.146 0.000 2.746 216 D HA -0.123 4.501 4.640 -0.027 0.000 0.241 216 D C -2.642 173.659 176.300 0.002 0.000 1.140 216 D CA -0.114 53.868 54.000 -0.030 0.000 0.707 216 D CB -0.182 40.601 40.800 -0.029 0.000 1.034 216 D HN 0.164 nan 8.370 nan 0.000 0.423 217 P HA 0.041 nan 4.420 nan 0.000 0.269 217 P C 0.446 177.811 177.300 0.109 0.000 1.209 217 P CA 0.010 63.163 63.100 0.087 0.000 0.776 217 P CB 0.730 32.488 31.700 0.098 0.000 0.876 218 D N 0.299 120.784 120.400 0.142 0.000 2.301 218 D HA 0.067 4.691 4.640 -0.027 0.000 0.206 218 D C 0.308 176.676 176.300 0.114 0.000 0.979 218 D CA 0.913 54.992 54.000 0.130 0.000 0.874 218 D CB 0.637 41.526 40.800 0.148 0.000 0.968 218 D HN 0.116 nan 8.370 nan 0.000 0.510 219 V N 1.643 121.637 119.914 0.132 0.000 2.735 219 V HA 0.389 4.493 4.120 -0.027 0.000 0.310 219 V C -0.148 175.945 176.094 -0.002 0.000 1.061 219 V CA -0.737 61.569 62.300 0.011 0.000 0.913 219 V CB 2.903 34.632 31.823 -0.157 0.000 1.005 219 V HN -0.107 nan 8.190 nan 0.000 0.428 220 I N 5.736 126.278 120.570 -0.046 0.000 2.355 220 I HA 0.541 4.695 4.170 -0.027 0.000 0.288 220 I C -0.339 175.701 176.117 -0.128 0.000 0.999 220 I CA -0.368 60.915 61.300 -0.028 0.000 1.163 220 I CB 1.343 39.355 38.000 0.021 0.000 1.316 220 I HN 0.605 nan 8.210 nan 0.000 0.454 221 I N 2.800 123.247 120.570 -0.204 0.000 2.797 221 I HA 1.060 5.214 4.170 -0.027 0.000 0.307 221 I C -0.070 175.949 176.117 -0.163 0.000 1.033 221 I CA -0.442 60.668 61.300 -0.316 0.000 1.071 221 I CB 2.344 39.788 38.000 -0.927 0.000 1.255 221 I HN 0.606 nan 8.210 nan 0.000 0.445 222 G N 2.503 111.283 108.800 -0.034 0.000 2.430 222 G HA2 0.225 4.169 3.960 -0.027 0.000 0.300 222 G HA3 0.225 4.169 3.960 -0.027 0.000 0.300 222 G C -2.691 172.379 174.900 0.285 0.000 1.330 222 G CA -0.694 44.467 45.100 0.101 0.000 0.813 222 G HN 0.776 nan 8.290 nan 0.000 0.487 223 W N 1.683 123.004 121.300 0.036 0.000 2.318 223 W HA 0.419 5.062 4.660 -0.028 0.000 0.315 223 W C 0.492 177.052 176.519 0.068 0.000 1.033 223 W CA -0.278 57.098 57.345 0.052 0.000 1.275 223 W CB 1.175 30.654 29.460 0.032 0.000 1.250 223 W HN 0.726 nan 8.180 nan 0.000 0.421 224 N N 3.477 122.148 118.700 -0.049 0.000 2.758 224 N HA -0.220 4.504 4.740 -0.027 0.000 0.248 224 N C 0.420 176.014 175.510 0.140 0.000 1.076 224 N CA 1.043 54.111 53.050 0.030 0.000 0.696 224 N CB -1.086 37.459 38.487 0.098 0.000 0.979 224 N HN 0.328 nan 8.380 nan 0.000 0.550 225 V N -0.733 119.234 119.914 0.089 0.000 2.548 225 V HA -0.102 4.001 4.120 -0.027 0.000 0.249 225 V C 1.829 177.963 176.094 0.067 0.000 1.055 225 V CA 2.114 64.464 62.300 0.083 0.000 1.065 225 V CB 0.144 31.988 31.823 0.036 0.000 0.681 225 V HN 0.314 nan 8.190 nan 0.000 0.462 226 V N -0.311 119.639 119.914 0.061 0.000 2.302 226 V HA -0.145 3.959 4.120 -0.027 0.000 0.243 226 V C 2.588 178.801 176.094 0.198 0.000 1.036 226 V CA 1.799 64.156 62.300 0.095 0.000 1.020 226 V CB -0.780 31.079 31.823 0.061 0.000 0.657 226 V HN 0.449 nan 8.190 nan 0.000 0.453 227 Q N -1.256 118.653 119.800 0.182 0.000 2.167 227 Q HA -0.073 4.251 4.340 -0.027 0.000 0.202 227 Q C 1.886 178.046 176.000 0.265 0.000 0.970 227 Q CA 1.663 57.599 55.803 0.221 0.000 0.855 227 Q CB -0.172 28.678 28.738 0.186 0.000 0.911 227 Q HN 0.675 nan 8.270 nan 0.000 0.438 228 F N 1.064 121.070 119.950 0.094 0.000 2.484 228 F HA 0.070 4.582 4.527 -0.026 0.000 0.268 228 F C 1.590 177.436 175.800 0.076 0.000 0.965 228 F CA 0.523 58.571 58.000 0.081 0.000 1.119 228 F CB -0.300 38.741 39.000 0.069 0.000 1.153 228 F HN -0.117 nan 8.300 nan 0.000 0.689 229 D N 0.967 121.231 120.400 -0.226 0.000 2.106 229 D HA -0.195 4.429 4.640 -0.027 0.000 0.191 229 D C 2.248 178.391 176.300 -0.262 0.000 0.997 229 D CA 1.684 55.432 54.000 -0.421 0.000 0.834 229 D CB -0.629 40.121 40.800 -0.083 0.000 0.956 229 D HN 0.230 nan 8.370 nan 0.000 0.448 230 L N 0.742 121.930 121.223 -0.059 0.000 2.056 230 L HA -0.066 4.258 4.340 -0.027 0.000 0.207 230 L C 2.415 179.393 176.870 0.179 0.000 1.078 230 L CA 1.353 56.221 54.840 0.046 0.000 0.749 230 L CB -0.288 41.809 42.059 0.064 0.000 0.901 230 L HN -0.107 nan 8.230 nan 0.000 0.433 231 R N -1.526 119.046 120.500 0.120 0.000 2.092 231 R HA -0.091 4.233 4.340 -0.027 0.000 0.231 231 R C 2.138 178.409 176.300 -0.049 0.000 1.119 231 R CA 1.123 57.184 56.100 -0.065 0.000 0.970 231 R CB -0.063 30.228 30.300 -0.014 0.000 0.864 231 R HN 0.298 nan 8.270 nan 0.000 0.440 232 M N 0.325 119.863 119.600 -0.103 0.000 2.175 232 M HA -0.146 4.318 4.480 -0.027 0.000 0.264 232 M C 2.080 178.393 176.300 0.022 0.000 1.063 232 M CA 1.344 56.596 55.300 -0.080 0.000 1.119 232 M CB -0.537 31.861 32.600 -0.337 0.000 1.377 232 M HN 0.086 nan 8.290 nan 0.000 0.415 233 L N -0.065 121.099 121.223 -0.097 0.000 2.141 233 L HA -0.182 4.142 4.340 -0.027 0.000 0.209 233 L C 2.524 179.423 176.870 0.048 0.000 1.094 233 L CA 1.491 56.270 54.840 -0.100 0.000 0.763 233 L CB -1.283 40.704 42.059 -0.121 0.000 0.908 233 L HN 0.331 nan 8.230 nan 0.000 0.437 234 Q N 0.133 119.973 119.800 0.067 0.000 2.124 234 Q HA -0.203 4.121 4.340 -0.027 0.000 0.202 234 Q C 2.188 178.193 176.000 0.008 0.000 0.977 234 Q CA 1.566 57.408 55.803 0.065 0.000 0.850 234 Q CB -0.022 28.734 28.738 0.032 0.000 0.901 234 Q HN 0.358 nan 8.270 nan 0.000 0.429 235 K N -0.696 119.711 120.400 0.011 0.000 2.032 235 K HA -0.203 4.101 4.320 -0.027 0.000 0.209 235 K C 2.127 178.639 176.600 -0.148 0.000 1.048 235 K CA 1.701 57.943 56.287 -0.074 0.000 0.927 235 K CB -0.266 32.178 32.500 -0.094 0.000 0.712 235 K HN 0.536 nan 8.250 nan 0.000 0.441 236 H N -0.370 118.579 119.070 -0.202 0.000 2.357 236 H HA -0.064 4.476 4.556 -0.026 0.000 0.301 236 H C 2.148 177.267 175.328 -0.349 0.000 1.082 236 H CA 0.986 56.813 56.048 -0.368 0.000 1.342 236 H CB -0.016 29.649 29.762 -0.161 0.000 1.389 236 H HN 0.270 nan 8.280 nan 0.000 0.511 237 A N 1.682 124.513 122.820 0.017 0.000 1.948 237 A HA -0.227 4.077 4.320 -0.027 0.000 0.220 237 A C 2.231 179.799 177.584 -0.028 0.000 1.177 237 A CA 1.899 53.955 52.037 0.032 0.000 0.636 237 A CB -0.352 18.677 19.000 0.048 0.000 0.815 237 A HN 0.535 nan 8.150 nan 0.000 0.449 238 E N -0.990 119.161 120.200 -0.082 0.000 2.107 238 E HA -0.164 4.170 4.350 -0.027 0.000 0.191 238 E C 2.261 178.777 176.600 -0.140 0.000 0.982 238 E CA 0.978 57.325 56.400 -0.089 0.000 0.809 238 E CB -0.182 29.462 29.700 -0.092 0.000 0.756 238 E HN 0.566 nan 8.360 nan 0.000 0.459 239 R N 0.452 120.776 120.500 -0.294 0.000 2.080 239 R HA -0.167 4.157 4.340 -0.027 0.000 0.236 239 R C 1.713 177.894 176.300 -0.199 0.000 1.137 239 R CA 1.620 57.500 56.100 -0.366 0.000 0.943 239 R CB -0.176 29.683 30.300 -0.735 0.000 0.846 239 R HN 0.205 nan 8.270 nan 0.000 0.431 240 Y N -0.049 120.257 120.300 0.009 0.000 2.511 240 Y HA 0.259 4.793 4.550 -0.027 0.000 0.279 240 Y C 0.235 176.144 175.900 0.015 0.000 1.157 240 Y CA -0.001 58.109 58.100 0.018 0.000 1.300 240 Y CB 0.046 38.526 38.460 0.035 0.000 1.052 240 Y HN 0.000 nan 8.280 nan 0.000 0.529 241 R N -0.277 120.284 120.500 0.101 0.000 3.531 241 R HA -0.189 4.135 4.340 -0.027 0.000 0.280 241 R C -0.905 175.446 176.300 0.084 0.000 1.130 241 R CA 0.297 56.438 56.100 0.068 0.000 0.757 241 R CB -2.434 27.901 30.300 0.059 0.000 1.218 241 R HN 0.314 nan 8.270 nan 0.000 0.454 242 L N 0.643 121.933 121.223 0.111 0.000 2.317 242 L HA 0.508 4.832 4.340 -0.027 0.000 0.281 242 L C -2.043 174.867 176.870 0.066 0.000 1.024 242 L CA -2.083 52.815 54.840 0.097 0.000 0.810 242 L CB 1.896 44.040 42.059 0.142 0.000 1.240 242 L HN -0.231 nan 8.230 nan 0.000 0.427 243 P HA 0.203 nan 4.420 nan 0.000 0.276 243 P C -1.174 176.132 177.300 0.009 0.000 1.244 243 P CA -0.443 62.671 63.100 0.023 0.000 0.801 243 P CB 0.940 32.649 31.700 0.014 0.000 1.006 244 L N 2.974 124.191 121.223 -0.009 0.000 2.435 244 L HA 0.305 4.629 4.340 -0.027 0.000 0.253 244 L C -0.166 176.642 176.870 -0.104 0.000 1.087 244 L CA -0.313 54.494 54.840 -0.054 0.000 0.950 244 L CB -0.127 41.912 42.059 -0.034 0.000 1.304 244 L HN 0.157 nan 8.230 nan 0.000 0.453 245 R N 4.735 125.173 120.500 -0.104 0.000 2.291 245 R HA 0.215 4.539 4.340 -0.027 0.000 0.333 245 R C -0.355 175.814 176.300 -0.218 0.000 1.082 245 R CA -0.316 55.716 56.100 -0.113 0.000 0.948 245 R CB 0.678 30.947 30.300 -0.052 0.000 1.009 245 R HN 0.441 nan 8.270 nan 0.000 0.460 246 L N 1.748 122.810 121.223 -0.268 0.000 3.168 246 L HA 0.317 4.641 4.340 -0.027 0.000 0.277 246 L C 0.512 177.265 176.870 -0.196 0.000 1.245 246 L CA 0.100 54.675 54.840 -0.443 0.000 1.035 246 L CB 1.132 42.861 42.059 -0.550 0.000 1.399 246 L HN 0.722 nan 8.230 nan 0.000 0.580 247 G N -0.809 107.910 108.800 -0.134 0.000 2.600 247 G HA2 0.505 4.449 3.960 -0.027 0.000 0.303 247 G HA3 0.505 4.449 3.960 -0.027 0.000 0.303 247 G C -0.582 174.235 174.900 -0.138 0.000 1.253 247 G CA -0.779 44.238 45.100 -0.139 0.000 0.974 247 G HN -0.041 nan 8.290 nan 0.000 0.483 248 R N 0.495 120.817 120.500 -0.298 0.000 2.491 248 R HA 0.240 4.564 4.340 -0.027 0.000 0.283 248 R C -0.359 175.838 176.300 -0.172 0.000 1.072 248 R CA 0.085 55.975 56.100 -0.349 0.000 1.048 248 R CB 0.673 30.403 30.300 -0.951 0.000 0.983 248 R HN 0.702 nan 8.270 nan 0.000 0.450 249 D N 1.587 121.990 120.400 0.004 0.000 3.102 249 D HA -0.172 4.452 4.640 -0.027 0.000 0.210 249 D C -0.776 175.546 176.300 0.036 0.000 1.077 249 D CA 0.691 54.744 54.000 0.088 0.000 0.969 249 D CB -1.270 39.628 40.800 0.163 0.000 1.084 249 D HN 0.958 nan 8.370 nan 0.000 0.432 250 N N -0.704 118.005 118.700 0.014 0.000 2.740 250 N HA -0.179 4.545 4.740 -0.027 0.000 0.248 250 N C -0.736 174.765 175.510 -0.014 0.000 1.062 250 N CA 1.102 54.157 53.050 0.008 0.000 0.704 250 N CB -1.429 37.072 38.487 0.023 0.000 0.968 250 N HN 0.289 nan 8.380 nan 0.000 0.547 251 S N 0.518 116.193 115.700 -0.042 0.000 2.610 251 S HA 0.239 4.693 4.470 -0.027 0.000 0.273 251 S C 0.607 175.166 174.600 -0.067 0.000 1.274 251 S CA -0.619 57.548 58.200 -0.054 0.000 1.023 251 S CB 1.950 65.100 63.200 -0.084 0.000 0.962 251 S HN 0.135 nan 8.310 nan 0.000 0.523 252 E N 0.499 120.665 120.200 -0.057 0.000 2.349 252 E HA 0.238 4.571 4.350 -0.027 0.000 0.262 252 E C -0.287 176.255 176.600 -0.096 0.000 1.088 252 E CA -0.671 55.693 56.400 -0.060 0.000 0.899 252 E CB 0.584 30.270 29.700 -0.024 0.000 1.044 252 E HN 0.355 nan 8.360 nan 0.000 0.420 253 L N 1.662 122.810 121.223 -0.125 0.000 2.483 253 L HA 0.056 4.380 4.340 -0.027 0.000 0.276 253 L C -0.305 176.446 176.870 -0.199 0.000 1.213 253 L CA 0.826 55.537 54.840 -0.216 0.000 0.843 253 L CB 0.514 42.416 42.059 -0.262 0.000 1.107 253 L HN 0.493 nan 8.230 nan 0.000 0.487 254 E N 2.819 122.844 120.200 -0.291 0.000 2.210 254 E HA 0.352 4.686 4.350 -0.027 0.000 0.266 254 E C -1.948 174.441 176.600 -0.352 0.000 0.883 254 E CA -0.470 55.815 56.400 -0.191 0.000 0.761 254 E CB 0.920 30.554 29.700 -0.110 0.000 1.156 254 E HN 0.580 nan 8.360 nan 0.000 0.412 255 W N 4.319 125.565 121.300 -0.089 0.000 2.417 255 W HA 0.484 5.128 4.660 -0.026 0.000 0.315 255 W C 0.014 176.451 176.519 -0.136 0.000 1.045 255 W CA -0.640 56.626 57.345 -0.132 0.000 1.221 255 W CB 1.230 30.602 29.460 -0.148 0.000 1.309 255 W HN 0.162 nan 8.180 nan 0.000 0.453 256 R N 1.994 122.485 120.500 -0.014 0.000 2.799 256 R HA 0.533 4.857 4.340 -0.027 0.000 0.270 256 R C -0.767 175.224 176.300 -0.516 0.000 1.010 256 R CA -1.079 54.912 56.100 -0.182 0.000 0.916 256 R CB 2.393 32.583 30.300 -0.184 0.000 1.228 256 R HN 0.564 nan 8.270 nan 0.000 0.469 263 G N -0.757 108.046 108.800 0.006 0.000 2.194 263 G HA2 0.077 4.021 3.960 -0.027 0.000 0.236 263 G HA3 0.077 4.021 3.960 -0.027 0.000 0.236 263 G C 0.498 175.381 174.900 -0.029 0.000 0.987 263 G CA 0.677 45.758 45.100 -0.032 0.000 0.635 263 G HN 2.058 nan 8.290 nan 0.000 0.520 264 V N 0.167 120.117 119.914 0.061 0.000 2.427 264 V HA 0.841 4.945 4.120 -0.027 0.000 0.286 264 V C 0.221 176.493 176.094 0.296 0.000 1.034 264 V CA -1.349 61.052 62.300 0.169 0.000 0.893 264 V CB 0.820 32.763 31.823 0.200 0.000 0.982 264 V HN 1.083 nan 8.190 nan 0.000 0.452 265 F N 5.754 125.731 119.950 0.046 0.000 2.410 265 F HA 0.758 5.270 4.527 -0.026 0.000 0.349 265 F C -0.640 175.367 175.800 0.344 0.000 1.117 265 F CA -3.177 54.874 58.000 0.085 0.000 1.104 265 F CB 0.112 39.087 39.000 -0.042 0.000 1.122 265 F HN 0.725 nan 8.300 nan 0.000 0.483 266 F N 2.258 122.409 119.950 0.335 0.000 2.480 266 F HA 0.928 5.439 4.527 -0.028 0.000 0.329 266 F C -0.748 175.111 175.800 0.100 0.000 1.091 266 F CA -1.047 57.076 58.000 0.205 0.000 0.972 266 F CB 1.446 40.513 39.000 0.112 0.000 1.150 266 F HN 0.818 nan 8.300 nan 0.000 0.467 267 A N 4.307 127.351 122.820 0.373 0.000 2.354 267 A HA 0.747 5.050 4.320 -0.027 0.000 0.321 267 A C -1.314 176.145 177.584 -0.207 0.000 1.125 267 A CA -0.802 51.028 52.037 -0.345 0.000 0.799 267 A CB 1.721 19.551 19.000 -1.950 0.000 1.293 267 A HN 0.932 nan 8.150 nan 0.000 0.452 268 Q N -0.043 119.572 119.800 -0.308 0.000 2.353 268 Q HA 0.724 5.048 4.340 -0.027 0.000 0.275 268 Q C -1.093 174.766 176.000 -0.234 0.000 1.029 268 Q CA -0.871 54.815 55.803 -0.195 0.000 0.848 268 Q CB 1.991 30.717 28.738 -0.020 0.000 1.390 268 Q HN 1.226 nan 8.270 nan 0.000 0.401 269 A N 1.839 124.544 122.820 -0.191 0.000 2.355 269 A HA 0.617 4.921 4.320 -0.027 0.000 0.324 269 A C -1.005 176.509 177.584 -0.116 0.000 1.117 269 A CA -0.869 51.066 52.037 -0.170 0.000 0.785 269 A CB 1.636 20.529 19.000 -0.179 0.000 1.254 269 A HN 0.706 nan 8.150 nan 0.000 0.453 270 K N 0.989 121.314 120.400 -0.125 0.000 2.349 270 K HA 0.417 4.721 4.320 -0.027 0.000 0.288 270 K C 1.067 177.425 176.600 -0.403 0.000 1.058 270 K CA 1.135 57.339 56.287 -0.139 0.000 0.953 270 K CB 0.054 32.457 32.500 -0.161 0.000 0.997 270 K HN 1.729 nan 8.250 nan 0.000 0.477 271 G N 3.712 112.306 108.800 -0.344 0.000 2.159 271 G HA2 -0.279 3.664 3.960 -0.027 0.000 0.256 271 G HA3 -0.279 3.664 3.960 -0.027 0.000 0.256 271 G C -0.257 174.550 174.900 -0.155 0.000 0.977 271 G CA 0.242 45.076 45.100 -0.444 0.000 0.652 271 G HN 0.627 nan 8.290 nan 0.000 0.531 272 R N -1.317 119.123 120.500 -0.100 0.000 2.837 272 R HA 0.736 5.060 4.340 -0.027 0.000 0.271 272 R C -1.205 175.080 176.300 -0.025 0.000 0.993 272 R CA -1.100 54.982 56.100 -0.029 0.000 0.931 272 R CB 1.369 31.661 30.300 -0.013 0.000 1.206 272 R HN 0.045 nan 8.270 nan 0.000 0.474 273 L N 2.174 123.389 121.223 -0.013 0.000 2.325 273 L HA 0.537 4.861 4.340 -0.027 0.000 0.278 273 L C -0.436 176.396 176.870 -0.063 0.000 1.023 273 L CA -0.310 54.507 54.840 -0.039 0.000 0.811 273 L CB 1.552 43.593 42.059 -0.029 0.000 1.249 273 L HN 0.472 nan 8.230 nan 0.000 0.431 274 I N 4.530 125.047 120.570 -0.089 0.000 2.410 274 I HA 0.439 4.592 4.170 -0.027 0.000 0.286 274 I C -0.775 175.292 176.117 -0.083 0.000 1.009 274 I CA -0.420 60.823 61.300 -0.094 0.000 1.111 274 I CB 1.530 39.455 38.000 -0.126 0.000 1.262 274 I HN 0.256 nan 8.210 nan 0.000 0.443 275 I N 4.397 124.936 120.570 -0.052 0.000 2.465 275 I HA 0.327 4.481 4.170 -0.027 0.000 0.291 275 I C -0.729 175.413 176.117 0.042 0.000 1.014 275 I CA -0.395 60.915 61.300 0.016 0.000 1.093 275 I CB 1.961 40.011 38.000 0.083 0.000 1.267 275 I HN 0.564 nan 8.210 nan 0.000 0.431 276 D N 3.081 123.485 120.400 0.007 0.000 2.308 276 D HA 0.479 5.103 4.640 -0.027 0.000 0.242 276 D C 1.214 177.400 176.300 -0.191 0.000 1.059 276 D CA -0.380 53.575 54.000 -0.077 0.000 0.830 276 D CB 2.064 42.790 40.800 -0.123 0.000 1.161 276 D HN 0.687 nan 8.370 nan 0.000 0.494 277 G N 3.333 111.987 108.800 -0.244 0.000 2.442 277 G HA2 -0.213 3.731 3.960 -0.027 0.000 0.219 277 G HA3 -0.213 3.731 3.960 -0.027 0.000 0.219 277 G C 1.385 175.782 174.900 -0.839 0.000 1.141 277 G CA 0.975 45.788 45.100 -0.479 0.000 0.763 277 G HN 0.677 nan 8.290 nan 0.000 0.554 278 I N 0.010 119.913 120.570 -1.113 0.000 2.286 278 I HA -0.050 4.104 4.170 -0.027 0.000 0.245 278 I C 2.565 178.284 176.117 -0.663 0.000 1.104 278 I CA 1.102 61.865 61.300 -0.896 0.000 1.397 278 I CB -0.527 36.946 38.000 -0.879 0.000 1.072 278 I HN 0.170 nan 8.210 nan 0.000 0.417 279 E N 1.922 121.806 120.200 -0.527 0.000 2.028 279 E HA -0.168 4.166 4.350 -0.027 0.000 0.191 279 E C 2.484 178.714 176.600 -0.615 0.000 0.988 279 E CA 1.374 57.486 56.400 -0.479 0.000 0.799 279 E CB -0.228 29.287 29.700 -0.309 0.000 0.755 279 E HN 0.529 nan 8.360 nan 0.000 0.447 280 A N 1.498 124.013 122.820 -0.508 0.000 1.883 280 A HA -0.197 4.107 4.320 -0.027 0.000 0.217 280 A C 2.201 179.510 177.584 -0.457 0.000 1.186 280 A CA 1.213 52.961 52.037 -0.483 0.000 0.624 280 A CB -0.603 18.245 19.000 -0.254 0.000 0.822 280 A HN 0.155 nan 8.150 nan 0.000 0.444 281 L N -0.006 120.973 121.223 -0.406 0.000 2.027 281 L HA -0.143 4.181 4.340 -0.027 0.000 0.206 281 L C 2.393 179.210 176.870 -0.089 0.000 1.074 281 L CA 2.090 56.784 54.840 -0.243 0.000 0.745 281 L CB -0.516 41.466 42.059 -0.128 0.000 0.898 281 L HN 0.360 nan 8.230 nan 0.000 0.433 282 K N -0.637 119.616 120.400 -0.244 0.000 2.032 282 K HA -0.162 4.142 4.320 -0.027 0.000 0.209 282 K C 2.030 178.398 176.600 -0.387 0.000 1.048 282 K CA 1.726 57.870 56.287 -0.237 0.000 0.927 282 K CB -0.654 31.605 32.500 -0.402 0.000 0.712 282 K HN 0.522 nan 8.250 nan 0.000 0.441 283 S N 0.991 116.389 115.700 -0.503 0.000 2.461 283 S HA -0.143 4.311 4.470 -0.027 0.000 0.246 283 S C 1.875 176.077 174.600 -0.663 0.000 1.007 283 S CA 1.151 59.001 58.200 -0.584 0.000 0.976 283 S CB -0.296 62.595 63.200 -0.516 0.000 0.763 283 S HN 0.345 nan 8.310 nan 0.000 0.508 284 A N -0.317 122.207 122.820 -0.492 0.000 2.308 284 A HA 0.601 4.904 4.320 -0.027 0.000 0.217 284 A C 0.476 177.956 177.584 -0.174 0.000 1.216 284 A CA -0.487 51.327 52.037 -0.372 0.000 0.864 284 A CB -0.668 18.120 19.000 -0.354 0.000 0.902 284 A HN 0.515 nan 8.150 nan 0.000 0.499 285 F N -3.635 116.300 119.950 -0.025 0.000 3.056 285 F HA -0.203 4.308 4.527 -0.026 0.000 0.301 285 F C -0.200 175.551 175.800 -0.082 0.000 0.907 285 F CA 0.195 58.168 58.000 -0.046 0.000 1.113 285 F CB -2.433 36.509 39.000 -0.097 0.000 1.123 285 F HN 0.458 nan 8.300 nan 0.000 0.661 286 W N 1.538 122.868 121.300 0.049 0.000 2.361 286 W HA 0.567 5.211 4.660 -0.026 0.000 0.309 286 W C 0.499 177.018 176.519 0.001 0.000 1.122 286 W CA -0.321 57.012 57.345 -0.020 0.000 1.208 286 W CB 0.960 30.471 29.460 0.086 0.000 1.246 286 W HN -0.046 nan 8.180 nan 0.000 0.490 287 N N 3.185 121.861 118.700 -0.041 0.000 2.269 287 N HA 0.511 5.235 4.740 -0.027 0.000 0.304 287 N C -1.720 173.445 175.510 -0.575 0.000 1.072 287 N CA -0.557 52.456 53.050 -0.062 0.000 0.802 287 N CB 1.325 39.852 38.487 0.067 0.000 1.348 287 N HN 0.155 nan 8.380 nan 0.000 0.484 288 F N -0.059 119.780 119.950 -0.184 0.000 2.588 288 F HA 0.247 4.758 4.527 -0.027 0.000 0.314 288 F C 1.853 177.565 175.800 -0.147 0.000 1.069 288 F CA -0.698 57.142 58.000 -0.266 0.000 0.931 288 F CB 1.631 40.283 39.000 -0.580 0.000 1.260 288 F HN 0.446 nan 8.300 nan 0.000 0.465 289 S N -0.287 115.480 115.700 0.112 0.000 2.359 289 S HA -0.136 4.318 4.470 -0.027 0.000 0.223 289 S C 0.867 175.548 174.600 0.134 0.000 1.039 289 S CA 1.193 59.457 58.200 0.107 0.000 1.042 289 S CB -0.301 62.951 63.200 0.087 0.000 0.915 289 S HN 0.516 nan 8.310 nan 0.000 0.439 290 S N -0.784 114.980 115.700 0.106 0.000 2.600 290 S HA 0.683 5.137 4.470 -0.027 0.000 0.300 290 S C -1.520 173.138 174.600 0.096 0.000 1.087 290 S CA -0.839 57.448 58.200 0.144 0.000 0.965 290 S CB 1.069 64.337 63.200 0.113 0.000 1.089 290 S HN 0.253 nan 8.310 nan 0.000 0.496 291 F N 2.762 122.817 119.950 0.175 0.000 2.530 291 F HA 0.384 4.894 4.527 -0.027 0.000 0.318 291 F C 0.408 176.395 175.800 0.311 0.000 1.356 291 F CA -0.278 57.853 58.000 0.218 0.000 1.135 291 F CB 0.669 39.771 39.000 0.171 0.000 1.315 291 F HN 0.533 nan 8.300 nan 0.000 0.549 292 S N -0.686 115.219 115.700 0.340 0.000 2.566 292 S HA 0.524 4.977 4.470 -0.027 0.000 0.298 292 S C 1.007 175.588 174.600 -0.032 0.000 1.083 292 S CA -0.804 57.574 58.200 0.296 0.000 0.978 292 S CB 1.713 64.990 63.200 0.129 0.000 1.073 292 S HN 0.346 nan 8.310 nan 0.000 0.491 293 L N 1.142 122.113 121.223 -0.421 0.000 1.997 293 L HA -0.294 4.030 4.340 -0.027 0.000 0.227 293 L C 2.658 179.251 176.870 -0.461 0.000 1.087 293 L CA 2.401 56.738 54.840 -0.839 0.000 0.797 293 L CB -0.847 40.800 42.059 -0.686 0.000 0.902 293 L HN 0.832 nan 8.230 nan 0.000 0.441 294 E N -0.863 119.178 120.200 -0.266 0.000 2.065 294 E HA -0.249 4.085 4.350 -0.027 0.000 0.201 294 E C 1.926 178.432 176.600 -0.157 0.000 1.016 294 E CA 2.231 58.527 56.400 -0.173 0.000 0.818 294 E CB -0.792 28.854 29.700 -0.090 0.000 0.749 294 E HN 0.427 nan 8.360 nan 0.000 0.453 295 T N 0.397 114.875 114.554 -0.126 0.000 2.857 295 T HA -0.062 4.272 4.350 -0.027 0.000 0.266 295 T C 2.002 176.586 174.700 -0.193 0.000 1.048 295 T CA 1.111 63.149 62.100 -0.103 0.000 1.139 295 T CB -0.187 68.657 68.868 -0.040 0.000 0.874 295 T HN -0.010 nan 8.240 nan 0.000 0.455 296 V N 1.793 121.502 119.914 -0.341 0.000 2.358 296 V HA -0.112 3.992 4.120 -0.027 0.000 0.246 296 V C 2.895 178.693 176.094 -0.493 0.000 1.047 296 V CA 1.582 63.493 62.300 -0.649 0.000 1.035 296 V CB -1.258 30.132 31.823 -0.722 0.000 0.658 296 V HN 0.497 nan 8.190 nan 0.000 0.452 297 A N -0.390 122.202 122.820 -0.381 0.000 1.873 297 A HA -0.237 4.067 4.320 -0.027 0.000 0.215 297 A C 2.229 179.714 177.584 -0.165 0.000 1.186 297 A CA 1.750 53.621 52.037 -0.277 0.000 0.616 297 A CB -0.449 18.391 19.000 -0.267 0.000 0.823 297 A HN 0.619 nan 8.150 nan 0.000 0.442 298 Q N -0.290 119.430 119.800 -0.132 0.000 2.002 298 Q HA -0.211 4.113 4.340 -0.027 0.000 0.204 298 Q C 2.026 178.006 176.000 -0.032 0.000 0.988 298 Q CA 1.618 57.381 55.803 -0.067 0.000 0.843 298 Q CB -0.348 28.362 28.738 -0.046 0.000 0.908 298 Q HN 0.713 nan 8.270 nan 0.000 0.420 299 E N 0.379 120.568 120.200 -0.018 0.000 2.085 299 E HA -0.208 4.126 4.350 -0.027 0.000 0.194 299 E C 1.995 178.670 176.600 0.124 0.000 0.994 299 E CA 1.127 57.575 56.400 0.080 0.000 0.801 299 E CB -0.060 29.762 29.700 0.203 0.000 0.743 299 E HN 0.201 nan 8.360 nan 0.000 0.453 300 L N -0.159 121.109 121.223 0.074 0.000 2.286 300 L HA 0.066 4.390 4.340 -0.027 0.000 0.203 300 L C 1.970 178.859 176.870 0.032 0.000 1.068 300 L CA 0.916 55.821 54.840 0.108 0.000 0.811 300 L CB 0.161 42.264 42.059 0.073 0.000 0.989 300 L HN -0.016 nan 8.230 nan 0.000 0.467 301 L N -0.720 120.484 121.223 -0.031 0.000 2.446 301 L HA 0.315 4.639 4.340 -0.027 0.000 0.219 301 L C 1.664 178.523 176.870 -0.018 0.000 1.116 301 L CA 0.708 55.529 54.840 -0.032 0.000 0.844 301 L CB -0.397 41.619 42.059 -0.072 0.000 0.970 301 L HN 0.489 nan 8.230 nan 0.000 0.457 302 G N 0.091 108.882 108.800 -0.015 0.000 2.199 302 G HA2 -0.334 3.610 3.960 -0.027 0.000 0.254 302 G HA3 -0.334 3.610 3.960 -0.027 0.000 0.254 302 G C 0.345 175.232 174.900 -0.022 0.000 0.982 302 G CA 0.483 45.578 45.100 -0.007 0.000 0.632 302 G HN 0.353 nan 8.290 nan 0.000 0.529 314 M N -0.154 119.421 119.600 -0.040 0.000 2.175 314 M HA 0.044 4.508 4.480 -0.027 0.000 0.264 314 M C 0.603 176.886 176.300 -0.028 0.000 1.063 314 M CA 1.947 57.224 55.300 -0.039 0.000 1.119 314 M CB -0.379 32.199 32.600 -0.038 0.000 1.377 314 M HN 0.136 nan 8.290 nan 0.000 0.415 315 D N 1.132 121.519 120.400 -0.022 0.000 2.178 315 D HA -0.110 4.514 4.640 -0.027 0.000 0.202 315 D C 2.116 178.413 176.300 -0.004 0.000 0.974 315 D CA 0.955 54.953 54.000 -0.004 0.000 0.841 315 D CB -0.252 40.545 40.800 -0.005 0.000 0.953 315 D HN 0.415 nan 8.370 nan 0.000 0.478 316 E N 0.716 120.895 120.200 -0.036 0.000 2.070 316 E HA -0.153 4.181 4.350 -0.027 0.000 0.197 316 E C 2.438 179.000 176.600 -0.062 0.000 1.004 316 E CA 0.471 56.834 56.400 -0.062 0.000 0.805 316 E CB -0.234 29.396 29.700 -0.116 0.000 0.744 316 E HN 0.389 nan 8.360 nan 0.000 0.451 317 I N 1.472 121.999 120.570 -0.070 0.000 2.163 317 I HA -0.291 3.863 4.170 -0.027 0.000 0.243 317 I C 2.024 178.208 176.117 0.112 0.000 1.085 317 I CA 1.262 62.552 61.300 -0.016 0.000 1.347 317 I CB -0.275 37.748 38.000 0.038 0.000 1.044 317 I HN -0.017 nan 8.210 nan 0.000 0.408 318 D N 0.322 120.805 120.400 0.138 0.000 2.144 318 D HA -0.198 4.426 4.640 -0.027 0.000 0.199 318 D C 2.183 178.565 176.300 0.136 0.000 0.984 318 D CA 1.089 55.209 54.000 0.201 0.000 0.834 318 D CB -0.264 40.629 40.800 0.154 0.000 0.955 318 D HN 0.323 nan 8.370 nan 0.000 0.465 319 R N 0.927 121.468 120.500 0.069 0.000 2.066 319 R HA -0.036 4.288 4.340 -0.027 0.000 0.232 319 R C 2.239 178.556 176.300 0.028 0.000 1.131 319 R CA 0.922 57.045 56.100 0.039 0.000 0.955 319 R CB 0.102 30.409 30.300 0.012 0.000 0.851 319 R HN 0.033 nan 8.270 nan 0.000 0.432 320 R N -0.477 120.036 120.500 0.022 0.000 2.096 320 R HA -0.145 4.179 4.340 -0.027 0.000 0.235 320 R C 2.209 178.529 176.300 0.035 0.000 1.127 320 R CA 1.374 57.483 56.100 0.015 0.000 0.968 320 R CB -0.500 29.802 30.300 0.002 0.000 0.861 320 R HN 0.242 nan 8.270 nan 0.000 0.440 321 F N 1.476 121.335 119.950 -0.152 0.000 2.095 321 F HA -0.179 4.332 4.527 -0.028 0.000 0.298 321 F C 2.072 177.772 175.800 -0.165 0.000 1.104 321 F CA 1.635 59.472 58.000 -0.273 0.000 1.232 321 F CB -0.263 38.318 39.000 -0.698 0.000 0.987 321 F HN -0.043 nan 8.300 nan 0.000 0.475 322 A N -1.425 121.319 122.820 -0.126 0.000 2.275 322 A HA 0.133 4.437 4.320 -0.027 0.000 0.212 322 A C 1.883 179.393 177.584 -0.124 0.000 1.201 322 A CA 0.544 52.470 52.037 -0.185 0.000 0.843 322 A CB -0.380 18.589 19.000 -0.052 0.000 0.873 322 A HN 0.517 nan 8.150 nan 0.000 0.492 323 E N -1.135 119.013 120.200 -0.086 0.000 2.378 323 E HA 0.025 4.359 4.350 -0.027 0.000 0.200 323 E C -0.588 175.980 176.600 -0.054 0.000 0.882 323 E CA 0.134 56.499 56.400 -0.058 0.000 1.061 323 E CB 0.472 30.154 29.700 -0.029 0.000 1.049 323 E HN 0.295 nan 8.360 nan 0.000 0.494 324 D N 0.531 120.907 120.400 -0.039 0.000 2.513 324 D HA 0.172 4.796 4.640 -0.027 0.000 0.295 324 D C 0.229 176.536 176.300 0.012 0.000 1.202 324 D CA -0.016 53.978 54.000 -0.010 0.000 0.849 324 D CB 0.534 41.339 40.800 0.008 0.000 1.116 324 D HN -0.110 nan 8.370 nan 0.000 0.502 325 K N 0.536 120.932 120.400 -0.008 0.000 2.097 325 K HA -0.090 4.214 4.320 -0.027 0.000 0.206 325 K C -0.936 175.735 176.600 0.119 0.000 1.049 325 K CA 1.060 57.376 56.287 0.047 0.000 0.933 325 K CB -0.285 32.248 32.500 0.056 0.000 0.717 325 K HN 0.265 nan 8.250 nan 0.000 0.442 326 P HA -0.176 nan 4.420 nan 0.000 0.217 326 P C 0.677 178.073 177.300 0.159 0.000 1.148 326 P CA 1.506 64.680 63.100 0.123 0.000 0.828 326 P CB 0.084 31.827 31.700 0.073 0.000 0.783 327 A N -1.501 121.394 122.820 0.126 0.000 2.178 327 A HA 0.024 4.328 4.320 -0.027 0.000 0.211 327 A C 2.012 179.698 177.584 0.170 0.000 1.157 327 A CA 0.296 52.421 52.037 0.147 0.000 0.780 327 A CB -1.258 17.800 19.000 0.097 0.000 0.828 327 A HN 0.118 nan 8.150 nan 0.000 0.476 328 L N -0.723 120.596 121.223 0.159 0.000 2.056 328 L HA -0.174 4.150 4.340 -0.027 0.000 0.207 328 L C 2.856 179.870 176.870 0.240 0.000 1.078 328 L CA 1.464 56.420 54.840 0.194 0.000 0.749 328 L CB -0.465 41.719 42.059 0.208 0.000 0.901 328 L HN 0.464 nan 8.230 nan 0.000 0.433 329 A N -0.631 122.309 122.820 0.201 0.000 1.858 329 A HA -0.219 4.085 4.320 -0.027 0.000 0.216 329 A C 2.196 179.804 177.584 0.041 0.000 1.190 329 A CA 2.322 54.452 52.037 0.154 0.000 0.617 329 A CB -1.075 18.117 19.000 0.320 0.000 0.827 329 A HN 0.424 nan 8.150 nan 0.000 0.443 330 T N -1.157 113.560 114.554 0.271 0.000 2.699 330 T HA -0.252 4.082 4.350 -0.027 0.000 0.268 330 T C 1.764 176.469 174.700 0.007 0.000 1.036 330 T CA 1.982 64.184 62.100 0.170 0.000 1.147 330 T CB -0.527 68.520 68.868 0.298 0.000 0.862 330 T HN 0.621 nan 8.240 nan 0.000 0.446 331 Y N 2.711 122.996 120.300 -0.025 0.000 2.145 331 Y HA -0.194 4.340 4.550 -0.027 0.000 0.286 331 Y C 2.415 178.266 175.900 -0.082 0.000 1.145 331 Y CA 1.680 59.757 58.100 -0.039 0.000 1.148 331 Y CB -0.698 37.761 38.460 -0.001 0.000 0.981 331 Y HN 0.117 nan 8.280 nan 0.000 0.507 332 N N 0.787 119.345 118.700 -0.237 0.000 2.013 332 N HA -0.220 4.504 4.740 -0.027 0.000 0.195 332 N C 1.874 177.161 175.510 -0.371 0.000 1.051 332 N CA 1.882 54.722 53.050 -0.350 0.000 0.851 332 N CB -0.896 37.538 38.487 -0.087 0.000 1.044 332 N HN 0.454 nan 8.380 nan 0.000 0.422 333 L N 1.372 122.363 121.223 -0.386 0.000 2.197 333 L HA -0.130 4.194 4.340 -0.027 0.000 0.215 333 L C 2.127 178.796 176.870 -0.335 0.000 1.095 333 L CA 1.761 56.351 54.840 -0.418 0.000 0.764 333 L CB -0.648 40.994 42.059 -0.694 0.000 0.897 333 L HN 0.294 nan 8.230 nan 0.000 0.436 334 K N -1.320 118.884 120.400 -0.327 0.000 2.288 334 K HA -0.121 4.183 4.320 -0.027 0.000 0.201 334 K C 1.732 178.166 176.600 -0.278 0.000 1.048 334 K CA 0.844 56.978 56.287 -0.256 0.000 0.956 334 K CB 0.043 32.420 32.500 -0.205 0.000 0.746 334 K HN 0.357 nan 8.250 nan 0.000 0.461 335 N N 0.435 118.922 118.700 -0.355 0.000 2.171 335 N HA -0.105 4.619 4.740 -0.027 0.000 0.184 335 N C 1.602 176.977 175.510 -0.225 0.000 1.021 335 N CA 1.092 53.948 53.050 -0.325 0.000 0.854 335 N CB -0.520 37.744 38.487 -0.372 0.000 0.994 335 N HN 0.218 nan 8.380 nan 0.000 0.426 336 C N 1.359 120.536 119.300 -0.205 0.000 2.429 336 C HA -0.045 4.398 4.460 -0.027 0.000 0.277 336 C C 2.287 177.205 174.990 -0.120 0.000 1.262 336 C CA 0.445 59.373 59.018 -0.150 0.000 1.733 336 C CB -0.861 26.779 27.740 -0.167 0.000 2.010 336 C HN 0.525 nan 8.230 nan 0.000 0.483 337 E N 0.528 120.645 120.200 -0.138 0.000 2.204 337 E HA -0.091 4.242 4.350 -0.027 0.000 0.194 337 E C 2.041 178.596 176.600 -0.075 0.000 0.989 337 E CA 0.682 57.026 56.400 -0.095 0.000 0.824 337 E CB -0.148 29.485 29.700 -0.110 0.000 0.756 337 E HN 0.582 nan 8.360 nan 0.000 0.477 338 L N 0.619 121.766 121.223 -0.126 0.000 2.109 338 L HA -0.092 4.232 4.340 -0.027 0.000 0.207 338 L C 2.439 179.250 176.870 -0.099 0.000 1.086 338 L CA 0.949 55.703 54.840 -0.143 0.000 0.760 338 L CB -0.704 41.211 42.059 -0.240 0.000 0.910 338 L HN 0.069 nan 8.230 nan 0.000 0.437 339 V N -0.579 119.290 119.914 -0.075 0.000 2.358 339 V HA -0.225 3.879 4.120 -0.027 0.000 0.246 339 V C 2.620 178.831 176.094 0.194 0.000 1.047 339 V CA 1.929 64.277 62.300 0.080 0.000 1.035 339 V CB -0.829 31.049 31.823 0.093 0.000 0.658 339 V HN 0.406 nan 8.190 nan 0.000 0.452 340 T N 0.060 114.678 114.554 0.106 0.000 2.622 340 T HA -0.285 4.049 4.350 -0.027 0.000 0.266 340 T C 1.968 176.924 174.700 0.427 0.000 1.047 340 T CA 2.063 64.319 62.100 0.260 0.000 1.159 340 T CB -0.343 68.637 68.868 0.185 0.000 0.863 340 T HN 0.596 nan 8.240 nan 0.000 0.422 341 Q N 0.154 120.089 119.800 0.224 0.000 2.112 341 Q HA -0.079 4.245 4.340 -0.027 0.000 0.206 341 Q C 2.383 178.519 176.000 0.226 0.000 0.987 341 Q CA 1.353 57.267 55.803 0.185 0.000 0.858 341 Q CB -0.455 28.306 28.738 0.040 0.000 0.905 341 Q HN 0.507 nan 8.270 nan 0.000 0.420 342 I N -0.045 120.632 120.570 0.177 0.000 2.226 342 I HA -0.261 3.893 4.170 -0.027 0.000 0.245 342 I C 1.974 178.199 176.117 0.180 0.000 1.100 342 I CA 1.187 62.552 61.300 0.109 0.000 1.374 342 I CB -0.169 37.864 38.000 0.055 0.000 1.057 342 I HN 0.125 nan 8.210 nan 0.000 0.413 343 F N 0.329 120.337 119.950 0.097 0.000 2.154 343 F HA -0.314 4.198 4.527 -0.025 0.000 0.301 343 F C 2.500 178.356 175.800 0.094 0.000 1.087 343 F CA 1.781 59.812 58.000 0.051 0.000 1.274 343 F CB -0.373 38.644 39.000 0.029 0.000 1.009 343 F HN 0.152 nan 8.300 nan 0.000 0.485 344 H N -1.126 118.181 119.070 0.394 0.000 2.333 344 H HA -0.124 4.415 4.556 -0.028 0.000 0.302 344 H C 2.084 177.502 175.328 0.148 0.000 1.075 344 H CA 1.672 57.877 56.048 0.262 0.000 1.348 344 H CB -0.154 29.712 29.762 0.174 0.000 1.393 344 H HN -0.036 nan 8.280 nan 0.000 0.509 345 K N 0.318 120.855 120.400 0.229 0.000 2.026 345 K HA -0.129 4.175 4.320 -0.027 0.000 0.208 345 K C 2.294 178.952 176.600 0.096 0.000 1.048 345 K CA 1.893 58.261 56.287 0.134 0.000 0.929 345 K CB -0.357 32.188 32.500 0.075 0.000 0.713 345 K HN 0.448 nan 8.250 nan 0.000 0.439 346 T N -2.128 112.400 114.554 -0.042 0.000 2.777 346 T HA -0.109 4.225 4.350 -0.027 0.000 0.266 346 T C 0.819 175.575 174.700 0.094 0.000 1.040 346 T CA 1.317 63.311 62.100 -0.177 0.000 1.141 346 T CB -0.273 68.257 68.868 -0.564 0.000 0.868 346 T HN 0.497 nan 8.240 nan 0.000 0.444 347 E N -0.041 120.190 120.200 0.052 0.000 3.057 347 E HA -0.163 4.171 4.350 -0.027 0.000 0.296 347 E C 0.830 177.484 176.600 0.090 0.000 0.943 347 E CA 0.566 57.037 56.400 0.119 0.000 0.965 347 E CB -2.081 27.731 29.700 0.185 0.000 1.485 347 E HN 0.851 nan 8.360 nan 0.000 0.417 348 I N -2.602 117.925 120.570 -0.071 0.000 2.353 348 I HA -0.164 3.990 4.170 -0.027 0.000 0.248 348 I C 2.434 178.593 176.117 0.071 0.000 1.119 348 I CA 0.872 62.116 61.300 -0.092 0.000 1.417 348 I CB -0.437 37.348 38.000 -0.357 0.000 1.078 348 I HN 0.158 nan 8.210 nan 0.000 0.421 349 M N 1.985 121.590 119.600 0.009 0.000 2.088 349 M HA -0.098 4.366 4.480 -0.027 0.000 0.256 349 M C -0.550 175.830 176.300 0.133 0.000 1.071 349 M CA 2.255 57.594 55.300 0.065 0.000 1.097 349 M CB -1.593 31.073 32.600 0.110 0.000 1.315 349 M HN 0.005 nan 8.290 nan 0.000 0.406 350 P HA -0.144 nan 4.420 nan 0.000 0.216 350 P C 1.637 179.036 177.300 0.164 0.000 1.150 350 P CA 1.317 64.494 63.100 0.129 0.000 0.837 350 P CB -0.437 31.345 31.700 0.138 0.000 0.786 351 F N -1.023 118.949 119.950 0.037 0.000 2.456 351 F HA 0.024 4.535 4.527 -0.028 0.000 0.298 351 F C 1.596 177.419 175.800 0.038 0.000 1.104 351 F CA 0.656 58.683 58.000 0.046 0.000 1.435 351 F CB -0.503 38.537 39.000 0.067 0.000 1.078 351 F HN -0.250 nan 8.300 nan 0.000 0.546 352 L N 0.349 121.827 121.223 0.425 0.000 2.240 352 L HA -0.102 4.222 4.340 -0.027 0.000 0.211 352 L C 2.112 178.973 176.870 -0.015 0.000 1.106 352 L CA 0.805 55.775 54.840 0.216 0.000 0.793 352 L CB -0.396 41.827 42.059 0.273 0.000 0.927 352 L HN 0.316 nan 8.230 nan 0.000 0.446 353 L N -1.001 120.219 121.223 -0.005 0.000 2.209 353 L HA -0.099 4.224 4.340 -0.027 0.000 0.207 353 L C 2.361 179.261 176.870 0.049 0.000 1.094 353 L CA 0.479 55.328 54.840 0.016 0.000 0.790 353 L CB -0.248 41.708 42.059 -0.171 0.000 0.932 353 L HN 0.111 nan 8.230 nan 0.000 0.447 354 E N 0.724 120.891 120.200 -0.054 0.000 2.152 354 E HA -0.178 4.156 4.350 -0.027 0.000 0.192 354 E C 2.231 178.762 176.600 -0.115 0.000 0.983 354 E CA 0.961 57.330 56.400 -0.052 0.000 0.818 354 E CB 0.067 29.730 29.700 -0.062 0.000 0.758 354 E HN 0.403 nan 8.360 nan 0.000 0.467 355 R N -0.247 120.083 120.500 -0.283 0.000 2.090 355 R HA 0.134 4.457 4.340 -0.027 0.000 0.228 355 R C 2.258 178.492 176.300 -0.111 0.000 1.110 355 R CA 1.187 57.134 56.100 -0.256 0.000 0.973 355 R CB -0.539 29.498 30.300 -0.440 0.000 0.869 355 R HN 0.074 nan 8.270 nan 0.000 0.440 356 A N 1.245 124.027 122.820 -0.064 0.000 1.978 356 A HA -0.123 4.181 4.320 -0.027 0.000 0.220 356 A C 2.134 179.719 177.584 0.002 0.000 1.170 356 A CA 1.947 53.981 52.037 -0.004 0.000 0.636 356 A CB -0.971 18.076 19.000 0.079 0.000 0.810 356 A HN 0.477 nan 8.150 nan 0.000 0.448 357 T N -0.629 113.955 114.554 0.051 0.000 2.746 357 T HA -0.104 4.230 4.350 -0.027 0.000 0.267 357 T C 1.838 176.545 174.700 0.012 0.000 1.039 357 T CA 1.615 63.739 62.100 0.039 0.000 1.142 357 T CB -0.292 68.639 68.868 0.105 0.000 0.866 357 T HN 0.179 nan 8.240 nan 0.000 0.444 358 V N 3.403 123.322 119.914 0.007 0.000 2.407 358 V HA -0.093 4.011 4.120 -0.027 0.000 0.245 358 V C 2.355 178.465 176.094 0.026 0.000 1.041 358 V CA 1.550 63.865 62.300 0.024 0.000 1.040 358 V CB -0.489 31.338 31.823 0.007 0.000 0.671 358 V HN 0.670 nan 8.190 nan 0.000 0.455 359 N N 0.311 119.004 118.700 -0.013 0.000 2.422 359 N HA 0.062 4.785 4.740 -0.027 0.000 0.181 359 N C 1.580 177.008 175.510 -0.137 0.000 1.080 359 N CA 1.125 54.167 53.050 -0.013 0.000 0.893 359 N CB 0.594 39.081 38.487 0.000 0.000 0.973 359 N HN 0.509 nan 8.380 nan 0.000 0.456 360 G N 0.836 109.506 108.800 -0.216 0.000 2.184 360 G HA2 -0.259 3.685 3.960 -0.027 0.000 0.264 360 G HA3 -0.259 3.685 3.960 -0.027 0.000 0.264 360 G C -0.114 174.537 174.900 -0.415 0.000 0.975 360 G CA 0.403 45.201 45.100 -0.503 0.000 0.642 360 G HN 0.314 nan 8.290 nan 0.000 0.536 361 L N 0.394 121.495 121.223 -0.203 0.000 2.399 361 L HA 0.475 4.799 4.340 -0.027 0.000 0.265 361 L C -1.848 174.977 176.870 -0.075 0.000 1.089 361 L CA -2.336 52.437 54.840 -0.112 0.000 0.802 361 L CB 0.955 42.976 42.059 -0.063 0.000 1.180 361 L HN -0.161 nan 8.230 nan 0.000 0.454 362 P HA -0.066 nan 4.420 nan 0.000 0.268 362 P C 0.745 178.010 177.300 -0.058 0.000 1.204 362 P CA -0.099 62.980 63.100 -0.035 0.000 0.768 362 P CB 0.811 32.486 31.700 -0.043 0.000 0.842 363 V N 1.556 121.466 119.914 -0.006 0.000 2.469 363 V HA -0.259 3.845 4.120 -0.027 0.000 0.251 363 V C 0.924 176.929 176.094 -0.148 0.000 1.064 363 V CA 2.129 64.415 62.300 -0.022 0.000 1.066 363 V CB -1.182 30.683 31.823 0.070 0.000 0.667 363 V HN 0.343 nan 8.190 nan 0.000 0.461 364 D N 0.218 120.519 120.400 -0.166 0.000 2.351 364 D HA -0.042 4.582 4.640 -0.027 0.000 0.216 364 D C 1.432 177.443 176.300 -0.481 0.000 0.968 364 D CA 0.925 54.759 54.000 -0.276 0.000 0.899 364 D CB -0.395 40.279 40.800 -0.210 0.000 0.907 364 D HN 0.595 nan 8.370 nan 0.000 0.514 365 R N 1.246 121.511 120.500 -0.393 0.000 2.202 365 R HA 0.140 4.464 4.340 -0.027 0.000 0.334 365 R C -0.751 175.321 176.300 -0.379 0.000 1.036 365 R CA -0.340 55.538 56.100 -0.371 0.000 0.878 365 R CB 0.148 30.341 30.300 -0.177 0.000 1.067 365 R HN 0.014 nan 8.270 nan 0.000 0.457 366 H N 2.678 121.700 119.070 -0.081 0.000 2.499 366 H HA 0.598 5.137 4.556 -0.027 0.000 0.340 366 H C 0.774 176.072 175.328 -0.051 0.000 1.148 366 H CA 0.070 56.080 56.048 -0.064 0.000 1.215 366 H CB 1.993 31.698 29.762 -0.095 0.000 1.529 366 H HN 0.933 nan 8.280 nan 0.000 0.510 367 G N 0.297 109.153 108.800 0.093 0.000 2.451 367 G HA2 0.090 4.034 3.960 -0.027 0.000 0.208 367 G HA3 0.090 4.034 3.960 -0.027 0.000 0.208 367 G C 0.423 175.358 174.900 0.058 0.000 1.248 367 G CA 0.073 45.209 45.100 0.059 0.000 0.989 367 G HN 1.373 nan 8.290 nan 0.000 0.559 368 G N -1.453 107.382 108.800 0.059 0.000 2.273 368 G HA2 0.020 3.964 3.960 -0.027 0.000 0.280 368 G HA3 0.020 3.964 3.960 -0.027 0.000 0.280 368 G C 1.292 176.252 174.900 0.100 0.000 1.047 368 G CA 1.425 46.567 45.100 0.071 0.000 0.869 368 G HN 1.859 nan 8.290 nan 0.000 0.502 369 S N -1.208 114.559 115.700 0.111 0.000 2.371 369 S HA -0.066 4.388 4.470 -0.027 0.000 0.224 369 S C 2.518 177.246 174.600 0.215 0.000 1.029 369 S CA 1.229 59.521 58.200 0.153 0.000 0.978 369 S CB -0.031 63.249 63.200 0.134 0.000 0.833 369 S HN 0.465 nan 8.310 nan 0.000 0.466 370 V N 2.254 122.270 119.914 0.169 0.000 2.343 370 V HA -0.208 3.896 4.120 -0.027 0.000 0.247 370 V C 2.679 178.918 176.094 0.241 0.000 1.051 370 V CA 1.655 64.071 62.300 0.193 0.000 1.036 370 V CB -1.214 30.681 31.823 0.120 0.000 0.654 370 V HN 0.537 nan 8.190 nan 0.000 0.451 371 A N -0.139 122.783 122.820 0.170 0.000 1.908 371 A HA -0.174 4.129 4.320 -0.027 0.000 0.218 371 A C 2.381 180.067 177.584 0.170 0.000 1.181 371 A CA 2.350 54.471 52.037 0.140 0.000 0.627 371 A CB -0.676 18.383 19.000 0.098 0.000 0.818 371 A HN 0.587 nan 8.150 nan 0.000 0.445 372 A N -1.438 121.504 122.820 0.203 0.000 1.874 372 A HA 0.105 4.409 4.320 -0.027 0.000 0.214 372 A C 2.017 179.793 177.584 0.322 0.000 1.189 372 A CA 1.261 53.431 52.037 0.222 0.000 0.615 372 A CB -0.740 18.375 19.000 0.191 0.000 0.830 372 A HN 0.674 nan 8.150 nan 0.000 0.443 373 F N 1.504 121.608 119.950 0.257 0.000 2.087 373 F HA -0.205 4.306 4.527 -0.027 0.000 0.299 373 F C 2.273 178.198 175.800 0.209 0.000 1.100 373 F CA 1.924 60.071 58.000 0.244 0.000 1.226 373 F CB -0.669 38.448 39.000 0.195 0.000 0.983 373 F HN 0.214 nan 8.300 nan 0.000 0.479 374 G N -1.550 107.511 108.800 0.434 0.000 2.469 374 G HA2 -0.392 3.552 3.960 -0.027 0.000 0.219 374 G HA3 -0.392 3.552 3.960 -0.027 0.000 0.219 374 G C 1.426 176.284 174.900 -0.069 0.000 1.150 374 G CA 1.304 46.536 45.100 0.221 0.000 0.763 374 G HN 0.583 nan 8.290 nan 0.000 0.561 375 H N -0.243 118.782 119.070 -0.075 0.000 2.321 375 H HA -0.006 4.534 4.556 -0.027 0.000 0.300 375 H C 2.413 177.726 175.328 -0.024 0.000 1.087 375 H CA 1.347 57.347 56.048 -0.079 0.000 1.319 375 H CB 0.030 29.780 29.762 -0.020 0.000 1.379 375 H HN 0.250 nan 8.280 nan 0.000 0.501 376 L N -0.851 120.461 121.223 0.147 0.000 2.072 376 L HA -0.112 4.212 4.340 -0.027 0.000 0.205 376 L C 2.061 178.917 176.870 -0.024 0.000 1.079 376 L CA 1.370 56.252 54.840 0.071 0.000 0.752 376 L CB -1.319 40.794 42.059 0.089 0.000 0.906 376 L HN 0.338 nan 8.230 nan 0.000 0.436 377 Y N -0.782 119.362 120.300 -0.260 0.000 2.293 377 Y HA -0.189 4.345 4.550 -0.027 0.000 0.291 377 Y C 2.426 178.385 175.900 0.098 0.000 1.137 377 Y CA 0.980 58.922 58.100 -0.264 0.000 1.202 377 Y CB -0.331 37.764 38.460 -0.609 0.000 0.990 377 Y HN 0.043 nan 8.280 nan 0.000 0.537 378 F N 0.931 120.891 119.950 0.016 0.000 2.069 378 F HA -0.243 4.268 4.527 -0.027 0.000 0.298 378 F C -0.125 175.731 175.800 0.095 0.000 1.113 378 F CA 1.272 59.344 58.000 0.119 0.000 1.214 378 F CB -1.448 37.634 39.000 0.137 0.000 0.978 378 F HN 0.089 nan 8.300 nan 0.000 0.474 379 P HA -0.162 nan 4.420 nan 0.000 0.216 379 P C 1.102 178.339 177.300 -0.104 0.000 1.153 379 P CA 1.658 64.572 63.100 -0.311 0.000 0.848 379 P CB -0.224 30.924 31.700 -0.919 0.000 0.787 380 R N -0.220 120.231 120.500 -0.082 0.000 2.115 380 R HA -0.034 4.289 4.340 -0.027 0.000 0.230 380 R C 2.716 178.952 176.300 -0.106 0.000 1.111 380 R CA 1.634 57.725 56.100 -0.014 0.000 0.976 380 R CB -0.780 29.486 30.300 -0.056 0.000 0.870 380 R HN 0.310 nan 8.270 nan 0.000 0.445 381 M N -0.644 118.828 119.600 -0.214 0.000 2.132 381 M HA -0.114 4.350 4.480 -0.027 0.000 0.263 381 M C 1.564 177.846 176.300 -0.030 0.000 1.065 381 M CA 1.739 56.922 55.300 -0.196 0.000 1.122 381 M CB -0.471 31.974 32.600 -0.259 0.000 1.365 381 M HN 0.112 nan 8.290 nan 0.000 0.411 382 H N 0.828 119.827 119.070 -0.118 0.000 2.321 382 H HA -0.068 4.472 4.556 -0.027 0.000 0.300 382 H C 2.045 177.333 175.328 -0.067 0.000 1.087 382 H CA 1.919 57.904 56.048 -0.105 0.000 1.319 382 H CB -0.362 29.335 29.762 -0.108 0.000 1.379 382 H HN 0.476 nan 8.280 nan 0.000 0.501 383 R N 0.626 121.196 120.500 0.118 0.000 2.316 383 R HA -0.064 4.260 4.340 -0.027 0.000 0.232 383 R C 1.920 178.236 176.300 0.028 0.000 1.137 383 R CA 0.748 56.887 56.100 0.065 0.000 1.012 383 R CB 0.072 30.425 30.300 0.088 0.000 0.859 383 R HN 0.244 nan 8.270 nan 0.000 0.474 384 A N -0.522 122.315 122.820 0.029 0.000 2.345 384 A HA 0.321 4.625 4.320 -0.027 0.000 0.225 384 A C 1.303 178.892 177.584 0.009 0.000 1.243 384 A CA 0.443 52.505 52.037 0.043 0.000 0.875 384 A CB 0.090 19.136 19.000 0.077 0.000 0.929 384 A HN 0.348 nan 8.150 nan 0.000 0.502 385 G N -2.048 106.695 108.800 -0.096 0.000 2.148 385 G HA2 -0.291 3.653 3.960 -0.027 0.000 0.254 385 G HA3 -0.291 3.653 3.960 -0.027 0.000 0.254 385 G C -0.108 174.459 174.900 -0.556 0.000 0.981 385 G CA 0.666 45.586 45.100 -0.300 0.000 0.670 385 G HN 0.475 nan 8.290 nan 0.000 0.528 386 Y N -1.686 118.512 120.300 -0.169 0.000 2.621 386 Y HA 0.726 5.260 4.550 -0.027 0.000 0.334 386 Y C 0.363 176.036 175.900 -0.379 0.000 1.074 386 Y CA -1.149 56.847 58.100 -0.172 0.000 1.149 386 Y CB 2.287 40.726 38.460 -0.034 0.000 1.302 386 Y HN 0.102 nan 8.280 nan 0.000 0.501 387 V N 1.326 121.148 119.914 -0.154 0.000 2.735 387 V HA 0.699 4.803 4.120 -0.027 0.000 0.310 387 V C -0.461 175.373 176.094 -0.433 0.000 1.061 387 V CA -1.261 60.712 62.300 -0.545 0.000 0.913 387 V CB 1.742 33.150 31.823 -0.691 0.000 1.005 387 V HN 0.908 nan 8.190 nan 0.000 0.428 388 A N 7.502 129.981 122.820 -0.568 0.000 2.462 388 A HA 0.588 4.892 4.320 -0.027 0.000 0.243 388 A C -1.930 175.231 177.584 -0.704 0.000 1.076 388 A CA -0.717 50.958 52.037 -0.603 0.000 0.773 388 A CB -0.125 18.593 19.000 -0.469 0.000 1.010 388 A HN 0.629 nan 8.150 nan 0.000 0.493 389 P HA 0.175 nan 4.420 nan 0.000 0.327 389 P C -0.471 176.693 177.300 -0.227 0.000 1.342 389 P CA -0.192 62.558 63.100 -0.583 0.000 0.761 389 P CB 0.436 31.762 31.700 -0.623 0.000 1.675 390 N N -2.939 115.709 118.700 -0.087 0.000 2.697 390 N HA 0.373 5.096 4.740 -0.027 0.000 0.272 390 N C -1.184 174.311 175.510 -0.026 0.000 1.381 390 N CA -0.712 52.335 53.050 -0.006 0.000 0.797 390 N CB -0.106 38.434 38.487 0.088 0.000 1.523 390 N HN 0.085 nan 8.380 nan 0.000 0.518 391 L N 1.406 122.627 121.223 -0.003 0.000 2.530 391 L HA 0.317 4.641 4.340 -0.027 0.000 0.273 391 L C 1.373 178.262 176.870 0.032 0.000 1.141 391 L CA 1.205 56.050 54.840 0.008 0.000 0.905 391 L CB -0.691 41.374 42.059 0.009 0.000 1.202 391 L HN 0.875 nan 8.230 nan 0.000 0.473 392 G N 1.983 110.820 108.800 0.060 0.000 2.176 392 G HA2 -0.228 3.716 3.960 -0.027 0.000 0.232 392 G HA3 -0.228 3.716 3.960 -0.027 0.000 0.232 392 G C 0.855 175.812 174.900 0.095 0.000 0.986 392 G CA 0.282 45.431 45.100 0.082 0.000 0.643 392 G HN 0.630 nan 8.290 nan 0.000 0.522 393 E N -0.496 119.762 120.200 0.097 0.000 2.268 393 E HA 0.142 4.476 4.350 -0.027 0.000 0.195 393 E C 0.748 177.420 176.600 0.119 0.000 0.995 393 E CA 1.073 57.542 56.400 0.116 0.000 0.836 393 E CB 0.349 30.142 29.700 0.154 0.000 0.763 393 E HN 0.417 nan 8.360 nan 0.000 0.491 394 V N 2.106 122.095 119.914 0.126 0.000 2.735 394 V HA 0.364 4.468 4.120 -0.027 0.000 0.310 394 V C -2.463 173.754 176.094 0.206 0.000 1.061 394 V CA -1.709 60.650 62.300 0.098 0.000 0.913 394 V CB 2.289 34.100 31.823 -0.020 0.000 1.005 394 V HN 0.031 nan 8.190 nan 0.000 0.428 395 P HA 0.578 nan 4.420 nan 0.000 0.292 395 P C -2.888 174.584 177.300 0.287 0.000 1.313 395 P CA -2.069 61.198 63.100 0.278 0.000 0.965 395 P CB 1.019 32.809 31.700 0.150 0.000 1.303 396 P HA 0.183 nan 4.420 nan 0.000 0.271 396 P C -0.297 177.098 177.300 0.159 0.000 1.218 396 P CA 0.620 63.923 63.100 0.339 0.000 0.780 396 P CB 0.032 31.902 31.700 0.285 0.000 0.901 407 S N 0.276 116.112 115.700 0.227 0.000 2.442 407 S HA 0.690 5.144 4.470 -0.027 0.000 0.297 407 S C -0.276 174.427 174.600 0.172 0.000 1.131 407 S CA -0.907 57.436 58.200 0.239 0.000 1.092 407 S CB 1.320 64.639 63.200 0.198 0.000 0.998 407 S HN 0.234 nan 8.310 nan 0.000 0.478 408 R N 2.761 123.369 120.500 0.180 0.000 2.204 408 R HA 0.389 4.713 4.340 -0.027 0.000 0.341 408 R C -2.918 173.494 176.300 0.187 0.000 1.035 408 R CA -2.319 53.887 56.100 0.177 0.000 0.887 408 R CB 0.131 30.554 30.300 0.205 0.000 1.114 408 R HN 0.458 nan 8.270 nan 0.000 0.473 409 P HA 0.341 nan 4.420 nan 0.000 0.282 409 P C -0.236 176.915 177.300 -0.248 0.000 1.262 409 P CA -0.048 63.059 63.100 0.011 0.000 0.773 409 P CB 1.538 33.317 31.700 0.131 0.000 0.879 410 G N 2.278 110.665 108.800 -0.687 0.000 2.506 410 G HA2 0.416 4.360 3.960 -0.027 0.000 0.292 410 G HA3 0.416 4.360 3.960 -0.027 0.000 0.292 410 G C -2.295 171.751 174.900 -1.423 0.000 1.425 410 G CA -0.442 43.913 45.100 -1.241 0.000 0.788 410 G HN 0.470 nan 8.290 nan 0.000 0.490 411 L N 1.018 121.527 121.223 -1.189 0.000 2.272 411 L HA 0.802 5.126 4.340 -0.027 0.000 0.289 411 L C -1.327 175.143 176.870 -0.666 0.000 1.032 411 L CA -1.431 52.989 54.840 -0.701 0.000 0.810 411 L CB -0.300 41.513 42.059 -0.410 0.000 1.205 411 L HN 0.569 nan 8.230 nan 0.000 0.422 412 Y N 2.577 122.731 120.300 -0.242 0.000 2.576 412 Y HA 0.676 5.210 4.550 -0.027 0.000 0.346 412 Y C -0.541 175.295 175.900 -0.107 0.000 1.018 412 Y CA -1.232 56.676 58.100 -0.321 0.000 1.050 412 Y CB 1.859 39.913 38.460 -0.677 0.000 1.280 412 Y HN 0.604 nan 8.280 nan 0.000 0.474 413 D N -0.332 120.153 120.400 0.141 0.000 2.879 413 D HA 0.485 5.109 4.640 -0.027 0.000 0.236 413 D C -1.078 175.419 176.300 0.329 0.000 1.171 413 D CA -1.009 53.097 54.000 0.177 0.000 0.868 413 D CB 1.658 42.544 40.800 0.143 0.000 1.598 413 D HN 0.486 nan 8.370 nan 0.000 0.497 414 S N -0.101 115.845 115.700 0.409 0.000 2.681 414 S HA 0.812 5.265 4.470 -0.027 0.000 0.299 414 S C -0.303 174.459 174.600 0.269 0.000 1.113 414 S CA -0.873 57.480 58.200 0.255 0.000 1.013 414 S CB 1.943 65.375 63.200 0.386 0.000 1.076 414 S HN 0.784 nan 8.310 nan 0.000 0.534 415 V N 1.001 120.953 119.914 0.063 0.000 3.078 415 V HA 0.774 4.878 4.120 -0.027 0.000 0.311 415 V C -1.968 174.072 176.094 -0.089 0.000 1.138 415 V CA -0.977 61.285 62.300 -0.063 0.000 1.007 415 V CB 1.799 33.352 31.823 -0.451 0.000 1.045 415 V HN 0.874 nan 8.190 nan 0.000 0.432 416 L N 4.371 125.521 121.223 -0.121 0.000 2.342 416 L HA 0.744 5.068 4.340 -0.027 0.000 0.271 416 L C -0.402 176.325 176.870 -0.238 0.000 1.008 416 L CA -0.358 54.401 54.840 -0.137 0.000 0.818 416 L CB 2.015 44.029 42.059 -0.075 0.000 1.296 416 L HN 0.549 nan 8.230 nan 0.000 0.427 417 V N 4.091 123.811 119.914 -0.324 0.000 2.407 417 V HA 0.569 4.672 4.120 -0.027 0.000 0.291 417 V C -1.143 174.708 176.094 -0.404 0.000 1.018 417 V CA -0.579 61.477 62.300 -0.407 0.000 0.842 417 V CB 1.738 33.352 31.823 -0.349 0.000 0.996 417 V HN 0.520 nan 8.190 nan 0.000 0.426 418 L N 3.499 124.506 121.223 -0.360 0.000 2.385 418 L HA 0.794 5.118 4.340 -0.027 0.000 0.273 418 L C -0.533 176.152 176.870 -0.309 0.000 0.990 418 L CA -0.617 54.050 54.840 -0.288 0.000 0.821 418 L CB 1.478 43.422 42.059 -0.192 0.000 1.279 418 L HN 0.324 nan 8.230 nan 0.000 0.412 419 D N 0.638 120.885 120.400 -0.255 0.000 2.374 419 D HA 0.420 5.044 4.640 -0.027 0.000 0.239 419 D C -1.339 174.852 176.300 -0.183 0.000 0.991 419 D CA -0.245 53.633 54.000 -0.202 0.000 0.960 419 D CB 2.187 42.916 40.800 -0.119 0.000 1.284 419 D HN 0.434 nan 8.370 nan 0.000 0.512 420 Y N 1.165 121.442 120.300 -0.038 0.000 2.328 420 Y HA 0.166 4.700 4.550 -0.027 0.000 0.337 420 Y C 0.848 176.748 175.900 0.000 0.000 1.008 420 Y CA -0.403 57.692 58.100 -0.008 0.000 1.129 420 Y CB 1.062 39.503 38.460 -0.032 0.000 1.185 420 Y HN -0.132 nan 8.280 nan 0.000 0.476 421 K N 2.455 123.004 120.400 0.248 0.000 2.416 421 K HA 0.044 4.348 4.320 -0.027 0.000 0.283 421 K C 0.340 177.003 176.600 0.106 0.000 1.037 421 K CA 0.190 56.556 56.287 0.132 0.000 0.995 421 K CB 0.491 33.098 32.500 0.178 0.000 0.938 421 K HN 0.838 nan 8.250 nan 0.000 0.475 422 S N 2.266 117.943 115.700 -0.039 0.000 3.247 422 S HA -0.174 4.279 4.470 -0.027 0.000 0.341 422 S C 1.123 175.787 174.600 0.106 0.000 0.924 422 S CA 0.306 58.477 58.200 -0.048 0.000 1.323 422 S CB -1.042 61.946 63.200 -0.354 0.000 0.918 422 S HN 0.648 nan 8.310 nan 0.000 0.523 423 L N 1.707 122.956 121.223 0.044 0.000 1.989 423 L HA -0.125 4.199 4.340 -0.027 0.000 0.211 423 L C 1.859 178.680 176.870 -0.081 0.000 1.071 423 L CA 2.004 56.794 54.840 -0.083 0.000 0.749 423 L CB -0.437 41.453 42.059 -0.281 0.000 0.890 423 L HN 0.626 nan 8.230 nan 0.000 0.431 424 Y N -0.171 120.172 120.300 0.073 0.000 2.114 424 Y HA -0.157 4.377 4.550 -0.027 0.000 0.284 424 Y C -0.207 175.781 175.900 0.148 0.000 1.143 424 Y CA 1.761 59.930 58.100 0.114 0.000 1.135 424 Y CB -2.033 36.556 38.460 0.216 0.000 0.980 424 Y HN 0.270 nan 8.280 nan 0.000 0.499 425 P HA -0.262 nan 4.420 nan 0.000 0.216 425 P C 1.864 179.335 177.300 0.284 0.000 1.157 425 P CA 2.629 65.940 63.100 0.352 0.000 0.880 425 P CB -0.321 31.613 31.700 0.391 0.000 0.791 426 S N -0.458 115.435 115.700 0.321 0.000 2.365 426 S HA -0.214 4.240 4.470 -0.027 0.000 0.225 426 S C 2.048 176.640 174.600 -0.013 0.000 1.039 426 S CA 1.547 59.799 58.200 0.086 0.000 1.033 426 S CB -1.740 61.502 63.200 0.071 0.000 0.887 426 S HN 0.056 nan 8.310 nan 0.000 0.447 427 I N 1.330 121.932 120.570 0.054 0.000 2.286 427 I HA -0.149 4.005 4.170 -0.027 0.000 0.248 427 I C 2.332 178.557 176.117 0.180 0.000 1.115 427 I CA 1.043 62.448 61.300 0.176 0.000 1.392 427 I CB -0.430 37.622 38.000 0.087 0.000 1.065 427 I HN 0.326 nan 8.210 nan 0.000 0.418 428 I N 1.065 121.705 120.570 0.117 0.000 2.142 428 I HA -0.275 3.879 4.170 -0.027 0.000 0.240 428 I C 2.696 178.790 176.117 -0.039 0.000 1.078 428 I CA 1.817 63.146 61.300 0.048 0.000 1.343 428 I CB -1.252 36.813 38.000 0.108 0.000 1.046 428 I HN 0.288 nan 8.210 nan 0.000 0.405 429 R N 0.143 120.610 120.500 -0.054 0.000 2.061 429 R HA -0.098 4.226 4.340 -0.027 0.000 0.230 429 R C 2.325 178.481 176.300 -0.239 0.000 1.140 429 R CA 1.827 57.838 56.100 -0.148 0.000 0.940 429 R CB -1.226 28.970 30.300 -0.174 0.000 0.839 429 R HN 0.204 nan 8.270 nan 0.000 0.429 430 T N 0.882 115.256 114.554 -0.301 0.000 2.653 430 T HA -0.158 4.176 4.350 -0.027 0.000 0.268 430 T C 1.065 175.387 174.700 -0.629 0.000 1.035 430 T CA 1.618 63.406 62.100 -0.520 0.000 1.154 430 T CB -0.230 68.183 68.868 -0.757 0.000 0.862 430 T HN 0.123 nan 8.240 nan 0.000 0.441 431 F N 0.635 120.459 119.950 -0.209 0.000 2.732 431 F HA 0.420 4.930 4.527 -0.027 0.000 0.303 431 F C 0.785 176.421 175.800 -0.274 0.000 1.110 431 F CA -0.246 57.628 58.000 -0.210 0.000 1.355 431 F CB -0.618 38.256 39.000 -0.210 0.000 1.081 431 F HN -0.014 nan 8.300 nan 0.000 0.565 432 L N 0.971 122.068 121.223 -0.210 0.000 3.677 432 L HA -0.262 4.061 4.340 -0.027 0.000 0.464 432 L C -0.510 176.155 176.870 -0.341 0.000 1.278 432 L CA 0.083 54.732 54.840 -0.318 0.000 0.806 432 L CB -1.921 39.938 42.059 -0.334 0.000 1.610 432 L HN 0.103 nan 8.230 nan 0.000 0.867 433 I N 1.160 121.475 120.570 -0.424 0.000 2.337 433 I HA 0.329 4.482 4.170 -0.027 0.000 0.291 433 I C 0.312 176.285 176.117 -0.241 0.000 1.046 433 I CA 0.213 61.076 61.300 -0.727 0.000 1.324 433 I CB 1.332 38.965 38.000 -0.611 0.000 1.409 433 I HN 0.244 nan 8.210 nan 0.000 0.494 434 D N 7.744 128.145 120.400 0.001 0.000 2.717 434 D HA 0.347 4.971 4.640 -0.027 0.000 0.223 434 D C -2.466 173.997 176.300 0.272 0.000 1.240 434 D CA -1.447 52.651 54.000 0.163 0.000 0.801 434 D CB 2.719 43.645 40.800 0.209 0.000 1.556 434 D HN -0.005 nan 8.370 nan 0.000 0.462 435 P HA -0.111 nan 4.420 nan 0.000 0.215 435 P C 1.574 178.934 177.300 0.100 0.000 1.157 435 P CA 0.716 63.941 63.100 0.208 0.000 0.863 435 P CB 0.125 31.940 31.700 0.192 0.000 0.787 436 V N 0.178 120.154 119.914 0.105 0.000 2.358 436 V HA -0.118 3.986 4.120 -0.027 0.000 0.246 436 V C 2.225 178.161 176.094 -0.264 0.000 1.047 436 V CA 2.701 64.818 62.300 -0.305 0.000 1.035 436 V CB -1.609 30.137 31.823 -0.129 0.000 0.658 436 V HN 0.150 nan 8.190 nan 0.000 0.452 437 G N -0.161 108.657 108.800 0.030 0.000 2.422 437 G HA2 -0.273 3.671 3.960 -0.027 0.000 0.218 437 G HA3 -0.273 3.671 3.960 -0.027 0.000 0.218 437 G C 1.550 176.512 174.900 0.103 0.000 1.146 437 G CA 1.198 46.383 45.100 0.141 0.000 0.769 437 G HN 0.582 nan 8.290 nan 0.000 0.547 438 L N 0.226 121.492 121.223 0.073 0.000 2.109 438 L HA 0.135 4.459 4.340 -0.027 0.000 0.207 438 L C 2.728 179.458 176.870 -0.234 0.000 1.086 438 L CA 1.067 55.784 54.840 -0.205 0.000 0.760 438 L CB -0.184 41.776 42.059 -0.166 0.000 0.910 438 L HN 0.040 nan 8.230 nan 0.000 0.437 439 V N -0.126 119.615 119.914 -0.288 0.000 2.379 439 V HA -0.239 3.865 4.120 -0.027 0.000 0.245 439 V C 2.593 178.512 176.094 -0.292 0.000 1.044 439 V CA 1.893 63.969 62.300 -0.373 0.000 1.036 439 V CB -0.133 31.247 31.823 -0.739 0.000 0.664 439 V HN 0.608 nan 8.190 nan 0.000 0.453 440 E N 0.316 120.339 120.200 -0.295 0.000 2.150 440 E HA -0.113 4.221 4.350 -0.027 0.000 0.193 440 E C 2.105 178.642 176.600 -0.105 0.000 0.985 440 E CA 1.486 57.792 56.400 -0.158 0.000 0.814 440 E CB -0.545 29.086 29.700 -0.115 0.000 0.752 440 E HN 0.514 nan 8.360 nan 0.000 0.466 441 G N -0.084 108.666 108.800 -0.084 0.000 2.421 441 G HA2 -0.202 3.741 3.960 -0.027 0.000 0.217 441 G HA3 -0.202 3.741 3.960 -0.027 0.000 0.217 441 G C 1.371 176.235 174.900 -0.060 0.000 1.143 441 G CA 0.635 45.718 45.100 -0.028 0.000 0.784 441 G HN 0.234 nan 8.290 nan 0.000 0.541 442 M N 1.182 120.723 119.600 -0.099 0.000 2.659 442 M HA 0.398 4.862 4.480 -0.027 0.000 0.243 442 M C 2.358 178.588 176.300 -0.116 0.000 1.111 442 M CA 0.450 55.695 55.300 -0.092 0.000 1.070 442 M CB 0.169 32.711 32.600 -0.097 0.000 1.525 442 M HN 0.244 nan 8.290 nan 0.000 0.517 443 A N -0.471 122.275 122.820 -0.123 0.000 1.930 443 A HA -0.004 4.300 4.320 -0.027 0.000 0.215 443 A C 0.703 178.193 177.584 -0.157 0.000 1.176 443 A CA 0.883 52.847 52.037 -0.121 0.000 0.632 443 A CB 0.006 18.942 19.000 -0.108 0.000 0.819 443 A HN 0.522 nan 8.150 nan 0.000 0.445 444 Q N -0.617 119.065 119.800 -0.197 0.000 2.589 444 Q HA 0.297 4.621 4.340 -0.027 0.000 0.245 444 Q C -2.772 173.018 176.000 -0.349 0.000 0.931 444 Q CA -1.783 53.869 55.803 -0.252 0.000 0.730 444 Q CB 1.899 30.422 28.738 -0.359 0.000 1.315 444 Q HN 0.086 nan 8.270 nan 0.000 0.469 445 P HA 0.122 nan 4.420 nan 0.000 0.220 445 P C -1.172 175.377 177.300 -1.253 0.000 1.806 445 P CA 0.062 62.437 63.100 -1.208 0.000 0.976 445 P CB 0.199 31.351 31.700 -0.913 0.000 1.952 446 D N 0.996 120.915 120.400 -0.802 0.000 2.492 446 D HA 0.190 4.814 4.640 -0.027 0.000 0.248 446 D C -1.686 174.415 176.300 -0.332 0.000 1.101 446 D CA -2.003 51.725 54.000 -0.453 0.000 0.840 446 D CB 1.722 42.471 40.800 -0.084 0.000 1.209 446 D HN -0.069 nan 8.370 nan 0.000 0.524 447 P HA -0.185 nan 4.420 nan 0.000 0.219 447 P C 1.199 178.514 177.300 0.025 0.000 1.144 447 P CA 0.943 64.138 63.100 0.160 0.000 0.806 447 P CB 0.688 32.488 31.700 0.168 0.000 0.771 448 E N -0.530 119.558 120.200 -0.187 0.000 2.058 448 E HA -0.196 4.138 4.350 -0.027 0.000 0.194 448 E C -0.006 176.429 176.600 -0.276 0.000 0.997 448 E CA 1.011 57.206 56.400 -0.341 0.000 0.801 448 E CB -0.101 29.206 29.700 -0.656 0.000 0.746 448 E HN 0.468 nan 8.360 nan 0.000 0.450 449 H N -1.446 117.629 119.070 0.007 0.000 2.448 449 H HA 0.647 5.187 4.556 -0.027 0.000 0.237 449 H C -0.979 174.400 175.328 0.086 0.000 1.391 449 H CA -0.876 55.197 56.048 0.041 0.000 1.477 449 H CB 0.687 30.450 29.762 0.002 0.000 1.520 449 H HN -0.108 nan 8.280 nan 0.000 0.502 450 S N 0.114 116.022 115.700 0.346 0.000 2.653 450 S HA 0.609 5.063 4.470 -0.027 0.000 0.264 450 S C -1.049 173.914 174.600 0.606 0.000 1.070 450 S CA -0.539 57.973 58.200 0.520 0.000 0.885 450 S CB 1.198 64.765 63.200 0.612 0.000 1.157 450 S HN 0.605 nan 8.310 nan 0.000 0.479 451 T N 1.185 116.096 114.554 0.595 0.000 2.843 451 T HA 0.635 4.968 4.350 -0.027 0.000 0.302 451 T C -1.680 172.839 174.700 -0.301 0.000 1.232 451 T CA -1.155 61.072 62.100 0.212 0.000 1.009 451 T CB 1.706 70.689 68.868 0.192 0.000 1.254 451 T HN 0.718 nan 8.240 nan 0.000 0.504 452 E N -0.223 119.611 120.200 -0.609 0.000 2.249 452 E HA 0.780 5.114 4.350 -0.027 0.000 0.263 452 E C -0.253 176.132 176.600 -0.359 0.000 0.950 452 E CA -1.452 54.381 56.400 -0.945 0.000 0.827 452 E CB 1.859 30.791 29.700 -1.280 0.000 1.220 452 E HN 0.848 nan 8.360 nan 0.000 0.411 453 G N 0.379 108.999 108.800 -0.300 0.000 2.708 453 G HA2 0.511 4.455 3.960 -0.027 0.000 0.289 453 G HA3 0.511 4.455 3.960 -0.027 0.000 0.289 453 G C -1.216 173.632 174.900 -0.087 0.000 1.416 453 G CA -1.138 43.978 45.100 0.027 0.000 0.829 453 G HN 0.400 nan 8.290 nan 0.000 0.480 454 F N 0.229 120.120 119.950 -0.099 0.000 2.506 454 F HA 0.374 4.885 4.527 -0.027 0.000 0.351 454 F C 1.548 177.307 175.800 -0.068 0.000 1.136 454 F CA -0.215 57.734 58.000 -0.085 0.000 1.298 454 F CB 0.588 39.542 39.000 -0.076 0.000 1.145 454 F HN 0.258 nan 8.300 nan 0.000 0.593 455 L N 1.607 122.883 121.223 0.090 0.000 4.793 455 L HA -0.303 4.021 4.340 -0.027 0.000 0.404 455 L C -0.253 176.608 176.870 -0.015 0.000 1.022 455 L CA 0.536 55.398 54.840 0.037 0.000 1.242 455 L CB -1.560 40.524 42.059 0.041 0.000 2.049 455 L HN 0.886 nan 8.230 nan 0.000 0.637 456 D N -3.084 117.278 120.400 -0.062 0.000 2.981 456 D HA -0.117 4.507 4.640 -0.027 0.000 0.203 456 D C 0.725 176.955 176.300 -0.116 0.000 1.049 456 D CA 1.310 55.265 54.000 -0.075 0.000 1.003 456 D CB -1.225 39.576 40.800 0.002 0.000 1.085 456 D HN 0.694 nan 8.370 nan 0.000 0.432 457 A N -0.401 122.325 122.820 -0.157 0.000 2.511 457 A HA 0.352 4.655 4.320 -0.027 0.000 0.242 457 A C -0.201 177.134 177.584 -0.416 0.000 1.069 457 A CA 0.442 52.313 52.037 -0.276 0.000 0.763 457 A CB 0.230 19.113 19.000 -0.194 0.000 1.001 457 A HN 0.264 nan 8.150 nan 0.000 0.498 458 W N 1.564 122.604 121.300 -0.434 0.000 2.683 458 W HA 0.601 5.245 4.660 -0.027 0.000 0.329 458 W C -1.258 174.987 176.519 -0.457 0.000 1.037 458 W CA -0.220 56.967 57.345 -0.263 0.000 1.232 458 W CB 1.859 31.231 29.460 -0.147 0.000 1.390 458 W HN 0.543 nan 8.180 nan 0.000 0.465 459 F N 2.617 122.746 119.950 0.297 0.000 2.444 459 F HA 0.324 4.835 4.527 -0.027 0.000 0.342 459 F C 0.800 176.751 175.800 0.253 0.000 1.121 459 F CA -0.838 57.288 58.000 0.209 0.000 0.997 459 F CB 1.748 40.826 39.000 0.131 0.000 1.130 459 F HN 0.059 nan 8.300 nan 0.000 0.454 460 S N 3.172 119.080 115.700 0.346 0.000 2.546 460 S HA 0.060 4.514 4.470 -0.027 0.000 0.290 460 S C 1.617 176.443 174.600 0.377 0.000 1.290 460 S CA -0.390 57.965 58.200 0.259 0.000 1.069 460 S CB 0.469 63.739 63.200 0.117 0.000 0.846 460 S HN 0.637 nan 8.310 nan 0.000 0.495 461 R N 2.933 123.617 120.500 0.307 0.000 2.092 461 R HA 0.011 4.334 4.340 -0.027 0.000 0.231 461 R C 1.018 177.487 176.300 0.282 0.000 1.119 461 R CA 1.430 57.739 56.100 0.348 0.000 0.970 461 R CB -0.065 30.377 30.300 0.236 0.000 0.864 461 R HN 0.757 nan 8.270 nan 0.000 0.440 462 E N -0.716 119.424 120.200 -0.101 0.000 2.641 462 E HA 0.050 4.384 4.350 -0.027 0.000 0.224 462 E C -0.146 176.051 176.600 -0.672 0.000 0.951 462 E CA -0.107 56.057 56.400 -0.394 0.000 1.102 462 E CB 0.682 30.317 29.700 -0.109 0.000 1.091 462 E HN -0.151 nan 8.360 nan 0.000 0.507 463 K N 2.270 122.351 120.400 -0.530 0.000 2.229 463 K HA 0.115 4.419 4.320 -0.027 0.000 0.247 463 K C -0.930 175.520 176.600 -0.250 0.000 1.117 463 K CA 0.023 56.131 56.287 -0.298 0.000 1.036 463 K CB -0.228 32.215 32.500 -0.096 0.000 1.654 463 K HN 0.072 nan 8.250 nan 0.000 0.405 464 H N -0.574 118.516 119.070 0.034 0.000 2.855 464 H HA 0.412 4.952 4.556 -0.027 0.000 0.363 464 H C 0.061 175.390 175.328 0.001 0.000 1.185 464 H CA -0.995 55.074 56.048 0.036 0.000 1.174 464 H CB 1.478 31.263 29.762 0.038 0.000 1.857 464 H HN 0.344 nan 8.280 nan 0.000 0.565 465 C N -0.720 118.675 119.300 0.158 0.000 3.003 465 C HA 0.048 4.492 4.460 -0.027 0.000 0.499 465 C C 2.424 177.451 174.990 0.061 0.000 1.327 465 C CA -0.081 58.937 59.018 0.001 0.000 2.544 465 C CB -0.105 27.437 27.740 -0.330 0.000 3.143 465 C HN 0.597 nan 8.230 nan 0.000 0.510 466 L N 2.758 124.076 121.223 0.159 0.000 1.976 466 L HA 0.036 4.359 4.340 -0.027 0.000 0.209 466 L C -0.818 176.075 176.870 0.039 0.000 1.071 466 L CA 2.393 57.284 54.840 0.085 0.000 0.746 466 L CB -2.205 39.905 42.059 0.084 0.000 0.890 466 L HN 0.085 nan 8.230 nan 0.000 0.432 467 P HA -0.207 nan 4.420 nan 0.000 0.216 467 P C 1.402 178.700 177.300 -0.003 0.000 1.157 467 P CA 1.765 64.840 63.100 -0.042 0.000 0.880 467 P CB -0.049 31.547 31.700 -0.173 0.000 0.791 468 E N -1.024 119.196 120.200 0.032 0.000 2.153 468 E HA -0.152 4.181 4.350 -0.027 0.000 0.194 468 E C 2.070 178.707 176.600 0.061 0.000 0.988 468 E CA 0.851 57.284 56.400 0.055 0.000 0.811 468 E CB -0.591 29.162 29.700 0.089 0.000 0.746 468 E HN 0.286 nan 8.360 nan 0.000 0.466 469 I N 0.602 121.211 120.570 0.065 0.000 2.233 469 I HA -0.214 3.940 4.170 -0.027 0.000 0.243 469 I C 2.241 178.451 176.117 0.155 0.000 1.093 469 I CA 0.678 62.034 61.300 0.094 0.000 1.380 469 I CB 0.059 38.084 38.000 0.043 0.000 1.067 469 I HN -0.026 nan 8.210 nan 0.000 0.413 470 V N 0.623 120.640 119.914 0.173 0.000 2.343 470 V HA -0.274 3.830 4.120 -0.027 0.000 0.247 470 V C 2.642 178.849 176.094 0.189 0.000 1.051 470 V CA 2.322 64.786 62.300 0.274 0.000 1.036 470 V CB -1.702 30.288 31.823 0.280 0.000 0.654 470 V HN 0.612 nan 8.190 nan 0.000 0.451 471 T N -1.201 113.386 114.554 0.056 0.000 2.652 471 T HA -0.303 4.031 4.350 -0.027 0.000 0.267 471 T C 1.842 176.424 174.700 -0.195 0.000 1.039 471 T CA 1.979 64.005 62.100 -0.123 0.000 1.153 471 T CB -0.715 68.078 68.868 -0.124 0.000 0.863 471 T HN 0.445 nan 8.240 nan 0.000 0.428 472 N N 1.131 119.833 118.700 0.002 0.000 2.104 472 N HA -0.045 4.678 4.740 -0.027 0.000 0.190 472 N C 2.041 177.632 175.510 0.135 0.000 1.024 472 N CA 1.703 54.817 53.050 0.107 0.000 0.853 472 N CB -0.268 38.302 38.487 0.138 0.000 1.008 472 N HN 0.500 nan 8.380 nan 0.000 0.424 473 I N -0.114 120.548 120.570 0.153 0.000 2.226 473 I HA -0.254 3.900 4.170 -0.027 0.000 0.245 473 I C 2.419 178.636 176.117 0.165 0.000 1.100 473 I CA 0.771 62.168 61.300 0.161 0.000 1.374 473 I CB -0.461 37.648 38.000 0.181 0.000 1.057 473 I HN 0.349 nan 8.210 nan 0.000 0.413 474 W N 2.573 123.838 121.300 -0.057 0.000 2.335 474 W HA -0.236 4.408 4.660 -0.027 0.000 0.311 474 W C 2.705 179.213 176.519 -0.019 0.000 1.213 474 W CA 1.847 59.147 57.345 -0.075 0.000 1.274 474 W CB -0.682 28.679 29.460 -0.164 0.000 1.148 474 W HN 0.304 nan 8.180 nan 0.000 0.498 475 H N -0.765 118.544 119.070 0.400 0.000 2.387 475 H HA -0.096 4.444 4.556 -0.027 0.000 0.299 475 H C 2.472 177.902 175.328 0.170 0.000 1.099 475 H CA 1.649 57.856 56.048 0.266 0.000 1.315 475 H CB -1.307 28.554 29.762 0.165 0.000 1.380 475 H HN 0.224 nan 8.280 nan 0.000 0.513 476 G N 1.235 110.186 108.800 0.252 0.000 2.459 476 G HA2 -0.284 3.660 3.960 -0.027 0.000 0.217 476 G HA3 -0.284 3.660 3.960 -0.027 0.000 0.217 476 G C 1.995 176.953 174.900 0.096 0.000 1.183 476 G CA 0.566 45.757 45.100 0.152 0.000 0.776 476 G HN 0.230 nan 8.290 nan 0.000 0.552 477 R N 1.238 121.766 120.500 0.047 0.000 2.115 477 R HA -0.141 4.183 4.340 -0.027 0.000 0.239 477 R C 2.300 178.607 176.300 0.013 0.000 1.133 477 R CA 2.364 58.451 56.100 -0.021 0.000 0.935 477 R CB -0.972 29.238 30.300 -0.149 0.000 0.853 477 R HN 0.375 nan 8.270 nan 0.000 0.433 478 D N -0.115 120.316 120.400 0.051 0.000 2.084 478 D HA -0.150 4.473 4.640 -0.027 0.000 0.194 478 D C 1.935 178.293 176.300 0.097 0.000 0.990 478 D CA 1.285 55.340 54.000 0.092 0.000 0.826 478 D CB -0.365 40.550 40.800 0.191 0.000 0.971 478 D HN 0.245 nan 8.370 nan 0.000 0.453 479 E N 0.443 120.716 120.200 0.123 0.000 2.058 479 E HA -0.128 4.206 4.350 -0.027 0.000 0.194 479 E C 1.997 178.639 176.600 0.071 0.000 0.997 479 E CA 1.338 57.792 56.400 0.091 0.000 0.801 479 E CB -0.480 29.276 29.700 0.094 0.000 0.746 479 E HN 0.235 nan 8.360 nan 0.000 0.450 480 A N 0.926 123.788 122.820 0.071 0.000 1.917 480 A HA -0.262 4.042 4.320 -0.027 0.000 0.219 480 A C 2.107 179.716 177.584 0.042 0.000 1.182 480 A CA 2.007 54.076 52.037 0.053 0.000 0.633 480 A CB -0.588 18.440 19.000 0.047 0.000 0.819 480 A HN 0.061 nan 8.150 nan 0.000 0.448 481 K N 0.072 120.493 120.400 0.036 0.000 2.009 481 K HA -0.117 4.187 4.320 -0.027 0.000 0.210 481 K C 2.026 178.646 176.600 0.033 0.000 1.049 481 K CA 1.898 58.202 56.287 0.027 0.000 0.929 481 K CB -0.425 32.085 32.500 0.016 0.000 0.714 481 K HN 0.484 nan 8.250 nan 0.000 0.440 482 R N 0.294 120.818 120.500 0.039 0.000 2.307 482 R HA 0.042 4.366 4.340 -0.027 0.000 0.199 482 R C 1.742 178.064 176.300 0.037 0.000 1.000 482 R CA 0.534 56.657 56.100 0.037 0.000 1.023 482 R CB 0.204 30.527 30.300 0.039 0.000 0.908 482 R HN 0.282 nan 8.270 nan 0.000 0.473 483 Q N -0.730 119.094 119.800 0.040 0.000 2.356 483 Q HA 0.097 4.421 4.340 -0.027 0.000 0.205 483 Q C 0.239 176.262 176.000 0.038 0.000 0.901 483 Q CA 0.066 55.893 55.803 0.039 0.000 0.938 483 Q CB 1.033 29.797 28.738 0.043 0.000 1.081 483 Q HN 0.277 nan 8.270 nan 0.000 0.517 484 G N 2.416 111.238 108.800 0.037 0.000 2.254 484 G HA2 -0.080 3.864 3.960 -0.027 0.000 0.253 484 G HA3 -0.080 3.864 3.960 -0.027 0.000 0.253 484 G C 0.203 175.126 174.900 0.038 0.000 1.246 484 G CA -0.074 45.048 45.100 0.037 0.000 0.946 484 G HN 0.475 nan 8.290 nan 0.000 0.474 485 N N 0.593 119.319 118.700 0.043 0.000 2.705 485 N HA -0.218 4.506 4.740 -0.027 0.000 0.255 485 N C 1.258 176.799 175.510 0.050 0.000 1.008 485 N CA 1.278 54.357 53.050 0.047 0.000 0.742 485 N CB -0.735 37.778 38.487 0.043 0.000 0.906 485 N HN 0.846 nan 8.380 nan 0.000 0.541 486 K N 0.395 120.828 120.400 0.056 0.000 2.365 486 K HA 0.016 4.320 4.320 -0.027 0.000 0.199 486 K C -0.808 175.842 176.600 0.084 0.000 1.045 486 K CA 0.699 57.020 56.287 0.058 0.000 0.962 486 K CB -0.170 32.364 32.500 0.056 0.000 0.759 486 K HN 0.371 nan 8.250 nan 0.000 0.469 487 P HA -0.251 nan 4.420 nan 0.000 0.217 487 P C 1.562 178.926 177.300 0.107 0.000 1.162 487 P CA 1.795 64.981 63.100 0.144 0.000 0.901 487 P CB -0.136 31.637 31.700 0.122 0.000 0.793 488 L N -2.386 118.867 121.223 0.049 0.000 2.131 488 L HA 0.081 4.405 4.340 -0.027 0.000 0.206 488 L C 2.386 179.261 176.870 0.009 0.000 1.087 488 L CA 1.876 56.719 54.840 0.004 0.000 0.767 488 L CB -1.611 40.453 42.059 0.007 0.000 0.917 488 L HN -0.187 nan 8.230 nan 0.000 0.441 489 S N -0.037 115.677 115.700 0.024 0.000 2.365 489 S HA -0.235 4.219 4.470 -0.027 0.000 0.225 489 S C 1.974 176.580 174.600 0.010 0.000 1.039 489 S CA 1.718 59.922 58.200 0.007 0.000 1.033 489 S CB -0.429 62.775 63.200 0.006 0.000 0.887 489 S HN 0.570 nan 8.310 nan 0.000 0.447 490 Q N 0.530 120.362 119.800 0.053 0.000 2.062 490 Q HA -0.218 4.105 4.340 -0.027 0.000 0.209 490 Q C 2.570 178.621 176.000 0.084 0.000 0.996 490 Q CA 1.769 57.635 55.803 0.106 0.000 0.859 490 Q CB -0.564 28.316 28.738 0.237 0.000 0.920 490 Q HN 0.606 nan 8.270 nan 0.000 0.415 491 A N 0.872 123.694 122.820 0.004 0.000 1.865 491 A HA -0.194 4.110 4.320 -0.027 0.000 0.217 491 A C 2.196 179.743 177.584 -0.063 0.000 1.191 491 A CA 1.410 53.373 52.037 -0.124 0.000 0.623 491 A CB -0.868 18.002 19.000 -0.217 0.000 0.826 491 A HN 0.334 nan 8.150 nan 0.000 0.444 492 L N -0.219 120.978 121.223 -0.044 0.000 2.046 492 L HA -0.238 4.086 4.340 -0.027 0.000 0.208 492 L C 2.725 179.551 176.870 -0.073 0.000 1.077 492 L CA 2.024 56.835 54.840 -0.048 0.000 0.747 492 L CB -0.471 41.569 42.059 -0.032 0.000 0.896 492 L HN 0.671 nan 8.230 nan 0.000 0.432 493 K N 1.424 121.786 120.400 -0.063 0.000 2.026 493 K HA -0.228 4.076 4.320 -0.027 0.000 0.208 493 K C 2.141 178.695 176.600 -0.076 0.000 1.048 493 K CA 2.084 58.317 56.287 -0.091 0.000 0.929 493 K CB -0.627 31.826 32.500 -0.079 0.000 0.713 493 K HN 0.414 nan 8.250 nan 0.000 0.439 494 I N 0.390 120.954 120.570 -0.009 0.000 2.286 494 I HA -0.173 3.981 4.170 -0.027 0.000 0.248 494 I C 2.319 178.412 176.117 -0.041 0.000 1.115 494 I CA 1.211 62.528 61.300 0.029 0.000 1.392 494 I CB -0.356 37.769 38.000 0.208 0.000 1.065 494 I HN 0.329 nan 8.210 nan 0.000 0.418 495 I N 0.854 121.372 120.570 -0.087 0.000 2.252 495 I HA -0.225 3.929 4.170 -0.027 0.000 0.245 495 I C 2.364 178.231 176.117 -0.417 0.000 1.102 495 I CA 1.776 62.962 61.300 -0.190 0.000 1.385 495 I CB -0.687 37.214 38.000 -0.164 0.000 1.064 495 I HN 0.349 nan 8.210 nan 0.000 0.414 496 M N 1.005 120.392 119.600 -0.355 0.000 2.082 496 M HA -0.252 4.211 4.480 -0.027 0.000 0.258 496 M C 1.586 177.706 176.300 -0.300 0.000 1.069 496 M CA 2.168 57.229 55.300 -0.398 0.000 1.102 496 M CB -0.491 32.002 32.600 -0.178 0.000 1.336 496 M HN 0.424 nan 8.290 nan 0.000 0.404 497 N N 0.694 119.288 118.700 -0.177 0.000 2.512 497 N HA -0.025 4.699 4.740 -0.027 0.000 0.183 497 N C 1.461 176.917 175.510 -0.089 0.000 1.073 497 N CA 1.134 54.131 53.050 -0.089 0.000 0.911 497 N CB -0.617 37.814 38.487 -0.094 0.000 0.964 497 N HN 0.393 nan 8.380 nan 0.000 0.447 498 A N 0.871 123.590 122.820 -0.168 0.000 1.902 498 A HA -0.083 4.220 4.320 -0.027 0.000 0.217 498 A C 1.689 179.320 177.584 0.077 0.000 1.181 498 A CA 0.867 52.854 52.037 -0.082 0.000 0.623 498 A CB -0.720 18.203 19.000 -0.129 0.000 0.818 498 A HN 0.096 nan 8.150 nan 0.000 0.443 499 F N -0.906 119.140 119.950 0.161 0.000 2.091 499 F HA -0.215 4.296 4.527 -0.027 0.000 0.299 499 F C 2.286 178.170 175.800 0.141 0.000 1.103 499 F CA 0.815 58.931 58.000 0.192 0.000 1.228 499 F CB -1.582 37.575 39.000 0.262 0.000 0.984 499 F HN 0.527 nan 8.300 nan 0.000 0.477 500 Y N 0.601 121.003 120.300 0.170 0.000 2.128 500 Y HA -0.176 4.357 4.550 -0.027 0.000 0.284 500 Y C 2.533 178.394 175.900 -0.065 0.000 1.154 500 Y CA 1.194 59.286 58.100 -0.013 0.000 1.149 500 Y CB -0.752 37.603 38.460 -0.175 0.000 0.976 500 Y HN 0.035 nan 8.280 nan 0.000 0.505 501 G N 0.314 109.414 108.800 0.500 0.000 2.440 501 G HA2 -0.288 3.656 3.960 -0.027 0.000 0.218 501 G HA3 -0.288 3.656 3.960 -0.027 0.000 0.218 501 G C 1.616 176.616 174.900 0.167 0.000 1.154 501 G CA 1.371 46.652 45.100 0.302 0.000 0.767 501 G HN 0.397 nan 8.290 nan 0.000 0.552 502 V N 1.181 121.168 119.914 0.121 0.000 2.252 502 V HA -0.206 3.898 4.120 -0.027 0.000 0.249 502 V C 2.878 178.922 176.094 -0.083 0.000 1.056 502 V CA 1.836 64.142 62.300 0.010 0.000 1.022 502 V CB -0.475 31.338 31.823 -0.017 0.000 0.641 502 V HN 0.391 nan 8.190 nan 0.000 0.445 503 L N 0.330 121.477 121.223 -0.127 0.000 2.450 503 L HA -0.060 4.264 4.340 -0.027 0.000 0.224 503 L C 2.392 179.281 176.870 0.032 0.000 1.149 503 L CA 1.113 55.879 54.840 -0.124 0.000 0.816 503 L CB -0.919 41.029 42.059 -0.184 0.000 0.932 503 L HN 0.484 nan 8.230 nan 0.000 0.449 504 G N -0.496 108.311 108.800 0.011 0.000 2.464 504 G HA2 -0.081 3.863 3.960 -0.027 0.000 0.217 504 G HA3 -0.081 3.863 3.960 -0.027 0.000 0.217 504 G C 0.800 175.658 174.900 -0.070 0.000 1.138 504 G CA 0.485 45.610 45.100 0.042 0.000 0.793 504 G HN 0.376 nan 8.290 nan 0.000 0.539 505 T N -0.883 113.580 114.554 -0.151 0.000 2.847 505 T HA 0.388 4.722 4.350 -0.027 0.000 0.279 505 T C 1.494 175.791 174.700 -0.672 0.000 0.984 505 T CA 0.332 62.237 62.100 -0.325 0.000 0.988 505 T CB 1.444 70.213 68.868 -0.165 0.000 1.040 505 T HN 0.090 nan 8.240 nan 0.000 0.528 506 T N -2.857 111.325 114.554 -0.620 0.000 3.081 506 T HA 0.305 4.639 4.350 -0.027 0.000 0.250 506 T C 1.799 176.366 174.700 -0.222 0.000 1.100 506 T CA 0.101 61.854 62.100 -0.578 0.000 1.038 506 T CB -0.243 68.396 68.868 -0.382 0.000 0.962 506 T HN 0.681 nan 8.240 nan 0.000 0.516 507 A N 0.149 122.866 122.820 -0.172 0.000 2.238 507 A HA 0.380 4.684 4.320 -0.027 0.000 0.208 507 A C 1.126 178.690 177.584 -0.033 0.000 1.177 507 A CA -0.184 51.810 52.037 -0.072 0.000 0.804 507 A CB -0.815 18.155 19.000 -0.049 0.000 0.823 507 A HN 0.644 nan 8.150 nan 0.000 0.482 508 C N 1.600 120.875 119.300 -0.040 0.000 2.346 508 C HA 0.632 5.076 4.460 -0.027 0.000 0.326 508 C C 0.758 175.769 174.990 0.036 0.000 1.224 508 C CA -1.378 57.650 59.018 0.016 0.000 1.408 508 C CB -0.212 27.530 27.740 0.004 0.000 2.089 508 C HN 0.736 nan 8.230 nan 0.000 0.456 509 R N 3.892 124.348 120.500 -0.074 0.000 2.944 509 R HA 0.421 4.745 4.340 -0.027 0.000 0.279 509 R C 0.230 176.435 176.300 -0.159 0.000 1.048 509 R CA -0.052 55.913 56.100 -0.225 0.000 1.196 509 R CB -0.072 29.916 30.300 -0.521 0.000 1.134 509 R HN 0.622 nan 8.270 nan 0.000 0.525 510 F N -4.071 115.888 119.950 0.015 0.000 2.656 510 F HA -0.209 4.302 4.527 -0.027 0.000 0.381 510 F C 0.004 175.829 175.800 0.042 0.000 0.603 510 F CA 0.312 58.320 58.000 0.013 0.000 1.335 510 F CB -2.298 36.677 39.000 -0.041 0.000 1.836 510 F HN 0.552 nan 8.300 nan 0.000 0.290 511 F N 2.899 122.895 119.950 0.076 0.000 2.427 511 F HA 0.554 5.064 4.527 -0.027 0.000 0.352 511 F C -0.061 175.769 175.800 0.050 0.000 1.100 511 F CA -0.824 57.192 58.000 0.027 0.000 1.191 511 F CB 0.748 39.745 39.000 -0.004 0.000 1.128 511 F HN 0.030 nan 8.300 nan 0.000 0.533 512 D N 7.024 126.981 120.400 -0.740 0.000 2.977 512 D HA 0.350 4.974 4.640 -0.027 0.000 0.220 512 D C -2.385 173.499 176.300 -0.692 0.000 1.267 512 D CA -1.969 51.584 54.000 -0.745 0.000 0.884 512 D CB 2.655 43.303 40.800 -0.253 0.000 1.667 512 D HN 0.171 nan 8.370 nan 0.000 0.536 513 P HA -0.088 nan 4.420 nan 0.000 0.216 513 P C 0.940 178.167 177.300 -0.121 0.000 1.150 513 P CA 1.216 64.172 63.100 -0.241 0.000 0.837 513 P CB 0.230 31.848 31.700 -0.136 0.000 0.786 514 R N -1.208 119.220 120.500 -0.119 0.000 2.148 514 R HA -0.043 4.281 4.340 -0.027 0.000 0.227 514 R C 1.975 178.291 176.300 0.025 0.000 1.103 514 R CA 0.733 56.812 56.100 -0.034 0.000 0.983 514 R CB -1.325 28.946 30.300 -0.048 0.000 0.874 514 R HN 0.197 nan 8.270 nan 0.000 0.451 515 L N 1.343 122.558 121.223 -0.014 0.000 2.027 515 L HA -0.026 4.298 4.340 -0.027 0.000 0.206 515 L C 2.385 179.215 176.870 -0.067 0.000 1.074 515 L CA 1.870 56.733 54.840 0.040 0.000 0.745 515 L CB -0.799 41.261 42.059 0.001 0.000 0.898 515 L HN 0.173 nan 8.230 nan 0.000 0.433 516 A N -1.647 121.101 122.820 -0.121 0.000 1.872 516 A HA -0.135 4.169 4.320 -0.027 0.000 0.214 516 A C 2.331 179.755 177.584 -0.267 0.000 1.187 516 A CA 1.758 53.640 52.037 -0.258 0.000 0.614 516 A CB -0.824 18.074 19.000 -0.170 0.000 0.826 516 A HN 0.512 nan 8.150 nan 0.000 0.442 517 S N 0.894 116.502 115.700 -0.154 0.000 2.356 517 S HA -0.149 4.305 4.470 -0.027 0.000 0.223 517 S C 2.172 176.614 174.600 -0.263 0.000 1.032 517 S CA 1.533 59.631 58.200 -0.171 0.000 1.005 517 S CB -0.551 62.602 63.200 -0.077 0.000 0.867 517 S HN 0.625 nan 8.310 nan 0.000 0.449 518 S N 2.009 117.633 115.700 -0.126 0.000 2.387 518 S HA -0.055 4.399 4.470 -0.027 0.000 0.230 518 S C 1.752 176.159 174.600 -0.322 0.000 1.035 518 S CA 1.023 59.156 58.200 -0.112 0.000 1.014 518 S CB -0.522 62.773 63.200 0.158 0.000 0.836 518 S HN 0.382 nan 8.310 nan 0.000 0.466 519 I N 1.919 122.332 120.570 -0.262 0.000 2.179 519 I HA -0.196 3.958 4.170 -0.027 0.000 0.242 519 I C 2.604 178.623 176.117 -0.164 0.000 1.088 519 I CA 1.821 62.993 61.300 -0.213 0.000 1.357 519 I CB -1.158 36.682 38.000 -0.267 0.000 1.051 519 I HN 0.478 nan 8.210 nan 0.000 0.409 520 T N -1.116 113.283 114.554 -0.258 0.000 2.901 520 T HA -0.029 4.304 4.350 -0.027 0.000 0.252 520 T C 1.869 176.108 174.700 -0.768 0.000 1.035 520 T CA 0.504 62.448 62.100 -0.259 0.000 1.142 520 T CB -0.421 68.357 68.868 -0.150 0.000 0.869 520 T HN 0.133 nan 8.240 nan 0.000 0.442 521 M N 0.977 120.024 119.600 -0.922 0.000 2.337 521 M HA -0.067 4.397 4.480 -0.027 0.000 0.261 521 M C 2.561 178.263 176.300 -0.997 0.000 1.067 521 M CA 1.305 55.952 55.300 -1.087 0.000 1.074 521 M CB -0.369 31.583 32.600 -1.080 0.000 1.395 521 M HN 0.186 nan 8.290 nan 0.000 0.431 522 R N 0.200 120.094 120.500 -1.009 0.000 2.153 522 R HA -0.046 4.278 4.340 -0.027 0.000 0.218 522 R C 2.152 178.217 176.300 -0.391 0.000 1.072 522 R CA 1.229 56.984 56.100 -0.575 0.000 0.990 522 R CB -0.263 29.632 30.300 -0.675 0.000 0.889 522 R HN 0.396 nan 8.270 nan 0.000 0.452 523 G N 0.493 109.045 108.800 -0.414 0.000 2.433 523 G HA2 -0.266 3.678 3.960 -0.027 0.000 0.216 523 G HA3 -0.266 3.678 3.960 -0.027 0.000 0.216 523 G C 0.908 175.751 174.900 -0.095 0.000 1.186 523 G CA 0.860 45.788 45.100 -0.286 0.000 0.779 523 G HN 0.361 nan 8.290 nan 0.000 0.543 524 H N 0.525 119.548 119.070 -0.079 0.000 2.289 524 H HA -0.173 4.367 4.556 -0.027 0.000 0.296 524 H C 2.513 177.852 175.328 0.018 0.000 1.091 524 H CA 1.674 57.711 56.048 -0.019 0.000 1.274 524 H CB -1.040 28.716 29.762 -0.010 0.000 1.364 524 H HN 0.624 nan 8.280 nan 0.000 0.490 525 Q N 0.891 120.764 119.800 0.123 0.000 2.096 525 Q HA -0.152 4.171 4.340 -0.027 0.000 0.208 525 Q C 2.170 178.290 176.000 0.200 0.000 0.993 525 Q CA 2.023 57.924 55.803 0.163 0.000 0.862 525 Q CB -0.270 28.570 28.738 0.169 0.000 0.915 525 Q HN 0.468 nan 8.270 nan 0.000 0.416 526 I N -0.141 120.506 120.570 0.129 0.000 2.394 526 I HA -0.221 3.933 4.170 -0.027 0.000 0.251 526 I C 2.304 178.590 176.117 0.280 0.000 1.136 526 I CA 0.700 62.134 61.300 0.224 0.000 1.425 526 I CB -0.298 37.643 38.000 -0.098 0.000 1.079 526 I HN 0.387 nan 8.210 nan 0.000 0.425 527 M N 1.135 120.839 119.600 0.172 0.000 2.067 527 M HA -0.166 4.298 4.480 -0.027 0.000 0.260 527 M C 2.299 178.690 176.300 0.152 0.000 1.069 527 M CA 1.949 57.347 55.300 0.164 0.000 1.117 527 M CB -0.582 32.086 32.600 0.113 0.000 1.334 527 M HN -0.002 nan 8.290 nan 0.000 0.407 528 R N -0.817 119.768 120.500 0.141 0.000 2.083 528 R HA -0.186 4.138 4.340 -0.027 0.000 0.237 528 R C 2.216 178.572 176.300 0.095 0.000 1.137 528 R CA 1.721 57.885 56.100 0.106 0.000 0.951 528 R CB -0.917 29.448 30.300 0.108 0.000 0.851 528 R HN 0.393 nan 8.270 nan 0.000 0.434 529 Q N 0.130 120.019 119.800 0.149 0.000 2.124 529 Q HA -0.090 4.234 4.340 -0.027 0.000 0.202 529 Q C 1.739 177.732 176.000 -0.011 0.000 0.977 529 Q CA 2.162 58.003 55.803 0.064 0.000 0.850 529 Q CB -0.217 28.624 28.738 0.172 0.000 0.901 529 Q HN 0.380 nan 8.270 nan 0.000 0.429 530 T N 0.894 115.551 114.554 0.172 0.000 2.759 530 T HA -0.233 4.101 4.350 -0.027 0.000 0.269 530 T C 1.541 176.238 174.700 -0.006 0.000 1.042 530 T CA 1.778 63.956 62.100 0.129 0.000 1.140 530 T CB -0.299 68.740 68.868 0.285 0.000 0.864 530 T HN 0.572 nan 8.240 nan 0.000 0.455 531 K N 1.898 122.307 120.400 0.015 0.000 2.025 531 K HA 0.130 4.434 4.320 -0.027 0.000 0.207 531 K C 2.549 179.120 176.600 -0.048 0.000 1.049 531 K CA 1.272 57.553 56.287 -0.011 0.000 0.933 531 K CB -0.550 31.958 32.500 0.014 0.000 0.714 531 K HN 0.216 nan 8.250 nan 0.000 0.438 532 A N 2.218 124.997 122.820 -0.069 0.000 1.883 532 A HA -0.091 4.213 4.320 -0.027 0.000 0.217 532 A C 2.316 179.802 177.584 -0.163 0.000 1.186 532 A CA 1.694 53.672 52.037 -0.099 0.000 0.624 532 A CB -0.854 18.084 19.000 -0.102 0.000 0.822 532 A HN 0.338 nan 8.150 nan 0.000 0.444 533 L N -0.695 120.365 121.223 -0.273 0.000 2.013 533 L HA -0.216 4.108 4.340 -0.027 0.000 0.212 533 L C 2.541 179.334 176.870 -0.127 0.000 1.073 533 L CA 1.167 55.815 54.840 -0.321 0.000 0.753 533 L CB -0.916 40.813 42.059 -0.550 0.000 0.890 533 L HN 0.283 nan 8.230 nan 0.000 0.432 534 I N 0.570 121.088 120.570 -0.086 0.000 2.151 534 I HA -0.286 3.868 4.170 -0.027 0.000 0.243 534 I C 2.576 178.695 176.117 0.002 0.000 1.080 534 I CA 1.659 62.952 61.300 -0.012 0.000 1.339 534 I CB -0.794 37.198 38.000 -0.013 0.000 1.039 534 I HN 0.360 nan 8.210 nan 0.000 0.409 535 E N 0.368 120.550 120.200 -0.031 0.000 2.072 535 E HA -0.164 4.170 4.350 -0.027 0.000 0.191 535 E C 2.176 178.716 176.600 -0.100 0.000 0.985 535 E CA 1.186 57.561 56.400 -0.043 0.000 0.801 535 E CB -0.204 29.472 29.700 -0.041 0.000 0.750 535 E HN 0.490 nan 8.360 nan 0.000 0.452 536 A N 1.129 123.882 122.820 -0.111 0.000 2.139 536 A HA -0.221 4.083 4.320 -0.027 0.000 0.221 536 A C 1.802 179.278 177.584 -0.180 0.000 1.159 536 A CA 1.217 53.173 52.037 -0.136 0.000 0.662 536 A CB -0.230 18.684 19.000 -0.144 0.000 0.796 536 A HN 0.186 nan 8.150 nan 0.000 0.463 537 Q N -1.747 117.931 119.800 -0.202 0.000 2.222 537 Q HA 0.288 4.612 4.340 -0.027 0.000 0.206 537 Q C 0.872 176.608 176.000 -0.440 0.000 0.877 537 Q CA 0.358 55.986 55.803 -0.291 0.000 0.958 537 Q CB 0.238 28.808 28.738 -0.279 0.000 1.075 537 Q HN 0.875 nan 8.270 nan 0.000 0.483 538 G N 0.127 108.697 108.800 -0.383 0.000 2.159 538 G HA2 -0.251 3.693 3.960 -0.027 0.000 0.227 538 G HA3 -0.251 3.693 3.960 -0.027 0.000 0.227 538 G C -0.338 174.223 174.900 -0.565 0.000 0.986 538 G CA -0.212 44.596 45.100 -0.486 0.000 0.651 538 G HN 0.261 nan 8.290 nan 0.000 0.523 539 Y N 0.275 120.470 120.300 -0.175 0.000 2.699 539 Y HA 0.766 5.300 4.550 -0.027 0.000 0.326 539 Y C 0.463 176.253 175.900 -0.183 0.000 1.141 539 Y CA -1.462 56.509 58.100 -0.215 0.000 1.246 539 Y CB 0.943 39.280 38.460 -0.204 0.000 1.426 539 Y HN 0.007 nan 8.280 nan 0.000 0.559 540 D N -0.440 119.970 120.400 0.016 0.000 2.527 540 D HA 0.493 5.117 4.640 -0.027 0.000 0.233 540 D C -1.535 174.798 176.300 0.055 0.000 1.063 540 D CA -0.314 53.700 54.000 0.022 0.000 0.880 540 D CB 2.860 43.683 40.800 0.039 0.000 1.457 540 D HN 0.152 nan 8.370 nan 0.000 0.475 541 V N 3.140 123.098 119.914 0.074 0.000 2.357 541 V HA 0.151 4.255 4.120 -0.027 0.000 0.281 541 V C 1.221 177.377 176.094 0.103 0.000 1.015 541 V CA -0.355 61.984 62.300 0.066 0.000 0.827 541 V CB 1.146 32.994 31.823 0.042 0.000 1.018 541 V HN 0.453 nan 8.190 nan 0.000 0.432 542 I N 4.031 124.657 120.570 0.093 0.000 2.353 542 I HA 0.074 4.228 4.170 -0.027 0.000 0.248 542 I C 0.513 176.779 176.117 0.247 0.000 1.119 542 I CA 1.212 62.578 61.300 0.110 0.000 1.417 542 I CB -0.116 37.840 38.000 -0.074 0.000 1.078 542 I HN 0.540 nan 8.210 nan 0.000 0.421 543 Y N 0.648 121.048 120.300 0.168 0.000 2.519 543 Y HA 0.663 5.197 4.550 -0.027 0.000 0.336 543 Y C -0.674 175.484 175.900 0.429 0.000 1.089 543 Y CA -1.191 57.064 58.100 0.260 0.000 1.025 543 Y CB 1.880 40.420 38.460 0.134 0.000 1.318 543 Y HN -0.093 nan 8.280 nan 0.000 0.452 544 G N 3.930 112.507 108.800 -0.372 0.000 2.707 544 G HA2 0.439 4.383 3.960 -0.027 0.000 0.299 544 G HA3 0.439 4.383 3.960 -0.027 0.000 0.299 544 G C -1.693 172.890 174.900 -0.528 0.000 1.442 544 G CA -0.528 44.390 45.100 -0.303 0.000 1.009 544 G HN 0.595 nan 8.290 nan 0.000 0.515 545 D N 0.333 120.558 120.400 -0.291 0.000 2.496 545 D HA 0.353 4.976 4.640 -0.027 0.000 0.283 545 D C 2.395 178.684 176.300 -0.019 0.000 1.214 545 D CA 0.446 54.373 54.000 -0.122 0.000 1.089 545 D CB 0.984 41.869 40.800 0.142 0.000 1.141 545 D HN 0.327 nan 8.370 nan 0.000 0.580 546 T N -2.067 112.522 114.554 0.058 0.000 2.803 546 T HA -0.192 4.141 4.350 -0.027 0.000 0.269 546 T C 0.674 175.405 174.700 0.053 0.000 1.052 546 T CA 1.853 64.005 62.100 0.088 0.000 1.136 546 T CB -0.236 68.714 68.868 0.135 0.000 0.864 546 T HN 0.517 nan 8.240 nan 0.000 0.467 547 D N -0.897 119.532 120.400 0.048 0.000 2.651 547 D HA 0.348 4.971 4.640 -0.027 0.000 0.280 547 D C -0.210 176.128 176.300 0.064 0.000 1.496 547 D CA -0.541 53.501 54.000 0.070 0.000 0.792 547 D CB 0.005 40.831 40.800 0.043 0.000 1.144 547 D HN 0.308 nan 8.370 nan 0.000 0.470 548 S N -0.272 115.419 115.700 -0.015 0.000 2.570 548 S HA 0.779 5.233 4.470 -0.027 0.000 0.286 548 S C -1.010 173.443 174.600 -0.246 0.000 1.099 548 S CA -0.311 57.799 58.200 -0.151 0.000 0.913 548 S CB 1.491 64.605 63.200 -0.142 0.000 1.085 548 S HN 0.358 nan 8.310 nan 0.000 0.480 549 T N 1.010 115.322 114.554 -0.403 0.000 2.912 549 T HA 0.728 5.062 4.350 -0.027 0.000 0.299 549 T C -1.408 172.941 174.700 -0.586 0.000 1.052 549 T CA -0.536 61.359 62.100 -0.342 0.000 0.996 549 T CB 0.753 69.515 68.868 -0.176 0.000 1.070 549 T HN 0.302 nan 8.240 nan 0.000 0.465 550 F N 2.098 122.009 119.950 -0.065 0.000 2.411 550 F HA 0.609 5.120 4.527 -0.027 0.000 0.352 550 F C 0.178 175.878 175.800 -0.166 0.000 1.123 550 F CA -0.936 56.979 58.000 -0.142 0.000 1.044 550 F CB 1.886 40.817 39.000 -0.115 0.000 1.135 550 F HN 0.536 nan 8.300 nan 0.000 0.461 551 V N 5.434 125.289 119.914 -0.099 0.000 2.417 551 V HA 0.501 4.605 4.120 -0.027 0.000 0.291 551 V C -1.634 174.398 176.094 -0.104 0.000 1.024 551 V CA -0.572 61.657 62.300 -0.118 0.000 0.861 551 V CB 1.164 32.868 31.823 -0.198 0.000 0.985 551 V HN 0.756 nan 8.190 nan 0.000 0.436 552 W N 8.343 129.481 121.300 -0.271 0.000 2.632 552 W HA 0.698 5.342 4.660 -0.027 0.000 0.328 552 W C -1.005 175.433 176.519 -0.135 0.000 1.044 552 W CA -1.554 55.630 57.345 -0.268 0.000 1.225 552 W CB 1.845 31.063 29.460 -0.403 0.000 1.396 552 W HN 0.599 nan 8.180 nan 0.000 0.499 553 L N 5.035 125.991 121.223 -0.445 0.000 2.678 553 L HA 0.477 4.801 4.340 -0.027 0.000 0.250 553 L C 0.177 176.912 176.870 -0.224 0.000 1.455 553 L CA -0.934 53.641 54.840 -0.441 0.000 0.823 553 L CB -0.016 41.696 42.059 -0.579 0.000 1.107 553 L HN 0.473 nan 8.230 nan 0.000 0.514 554 K N 1.373 121.284 120.400 -0.815 0.000 1.957 554 K HA -0.238 4.066 4.320 -0.027 0.000 0.155 554 K C 0.923 177.855 176.600 0.554 0.000 1.342 554 K CA 1.785 58.050 56.287 -0.036 0.000 0.382 554 K CB -1.747 30.763 32.500 0.017 0.000 0.664 554 K HN 0.637 nan 8.250 nan 0.000 0.799 555 G N -0.693 108.292 108.800 0.308 0.000 3.443 555 G HA2 0.492 4.436 3.960 -0.027 0.000 0.252 555 G HA3 0.492 4.436 3.960 -0.027 0.000 0.252 555 G C 0.349 175.300 174.900 0.086 0.000 1.015 555 G CA 0.770 46.030 45.100 0.266 0.000 0.891 555 G HN 0.810 nan 8.290 nan 0.000 0.510 556 A N 0.611 123.307 122.820 -0.206 0.000 2.605 556 A HA 0.446 4.749 4.320 -0.027 0.000 0.292 556 A C 0.499 177.908 177.584 -0.292 0.000 1.055 556 A CA -0.470 51.435 52.037 -0.219 0.000 0.969 556 A CB -0.193 18.693 19.000 -0.191 0.000 1.236 556 A HN 0.314 nan 8.150 nan 0.000 0.534 557 H N 0.598 119.722 119.070 0.089 0.000 2.309 557 H HA 0.582 5.122 4.556 -0.027 0.000 0.341 557 H C 0.313 175.647 175.328 0.009 0.000 1.677 557 H CA 0.788 56.845 56.048 0.014 0.000 1.440 557 H CB 0.682 30.415 29.762 -0.048 0.000 1.693 557 H HN 0.432 nan 8.280 nan 0.000 0.608 558 S N -1.150 114.577 115.700 0.045 0.000 2.752 558 S HA 0.101 4.555 4.470 -0.027 0.000 0.284 558 S C 0.908 175.455 174.600 -0.089 0.000 1.189 558 S CA -0.889 57.319 58.200 0.014 0.000 0.835 558 S CB 2.036 65.249 63.200 0.021 0.000 1.192 558 S HN 0.628 nan 8.310 nan 0.000 0.506 559 E N 0.930 121.108 120.200 -0.037 0.000 2.051 559 E HA -0.143 4.191 4.350 -0.027 0.000 0.192 559 E C 1.635 178.184 176.600 -0.086 0.000 0.991 559 E CA 1.854 58.219 56.400 -0.059 0.000 0.799 559 E CB -0.139 29.560 29.700 -0.001 0.000 0.748 559 E HN 0.631 nan 8.360 nan 0.000 0.449 560 E N -0.060 120.107 120.200 -0.055 0.000 2.038 560 E HA -0.222 4.112 4.350 -0.027 0.000 0.195 560 E C 2.071 178.619 176.600 -0.088 0.000 1.000 560 E CA 1.281 57.645 56.400 -0.060 0.000 0.803 560 E CB -0.086 29.593 29.700 -0.035 0.000 0.750 560 E HN 0.163 nan 8.360 nan 0.000 0.448 561 E N 0.373 120.530 120.200 -0.071 0.000 2.076 561 E HA -0.034 4.300 4.350 -0.027 0.000 0.190 561 E C 1.801 178.307 176.600 -0.157 0.000 0.979 561 E CA 1.046 57.407 56.400 -0.065 0.000 0.807 561 E CB -0.318 29.407 29.700 0.041 0.000 0.761 561 E HN 0.246 nan 8.360 nan 0.000 0.454 562 A N 0.859 123.532 122.820 -0.246 0.000 1.898 562 A HA -0.029 4.275 4.320 -0.027 0.000 0.216 562 A C 2.357 179.696 177.584 -0.407 0.000 1.181 562 A CA 1.921 53.708 52.037 -0.417 0.000 0.620 562 A CB -0.810 17.672 19.000 -0.864 0.000 0.819 562 A HN 0.264 nan 8.150 nan 0.000 0.442 563 A N -0.248 122.356 122.820 -0.360 0.000 1.865 563 A HA -0.201 4.103 4.320 -0.027 0.000 0.217 563 A C 2.183 179.484 177.584 -0.472 0.000 1.191 563 A CA 1.948 53.709 52.037 -0.460 0.000 0.623 563 A CB -0.512 18.343 19.000 -0.243 0.000 0.826 563 A HN 0.468 nan 8.150 nan 0.000 0.444 564 K N -0.666 119.563 120.400 -0.285 0.000 2.002 564 K HA -0.092 4.212 4.320 -0.027 0.000 0.209 564 K C 1.931 178.396 176.600 -0.226 0.000 1.048 564 K CA 1.706 57.862 56.287 -0.218 0.000 0.930 564 K CB -0.403 32.017 32.500 -0.134 0.000 0.714 564 K HN 0.557 nan 8.250 nan 0.000 0.438 565 I N 0.324 120.762 120.570 -0.220 0.000 2.264 565 I HA -0.221 3.933 4.170 -0.027 0.000 0.248 565 I C 2.412 178.378 176.117 -0.252 0.000 1.111 565 I CA 1.301 62.489 61.300 -0.186 0.000 1.382 565 I CB -0.552 37.335 38.000 -0.188 0.000 1.060 565 I HN 0.322 nan 8.210 nan 0.000 0.418 566 G N 0.890 109.454 108.800 -0.393 0.000 2.414 566 G HA2 -0.205 3.738 3.960 -0.027 0.000 0.215 566 G HA3 -0.205 3.738 3.960 -0.027 0.000 0.215 566 G C 1.759 176.436 174.900 -0.371 0.000 1.188 566 G CA 0.373 45.217 45.100 -0.426 0.000 0.783 566 G HN 0.288 nan 8.290 nan 0.000 0.537 567 R N 0.741 120.940 120.500 -0.502 0.000 2.091 567 R HA -0.030 4.294 4.340 -0.027 0.000 0.238 567 R C 2.963 179.190 176.300 -0.123 0.000 1.136 567 R CA 1.219 57.154 56.100 -0.275 0.000 0.959 567 R CB -0.494 29.648 30.300 -0.264 0.000 0.856 567 R HN 0.347 nan 8.270 nan 0.000 0.437 568 A N 1.583 124.331 122.820 -0.121 0.000 1.902 568 A HA -0.122 4.182 4.320 -0.027 0.000 0.217 568 A C 2.246 179.830 177.584 0.001 0.000 1.181 568 A CA 1.142 53.150 52.037 -0.050 0.000 0.623 568 A CB -0.541 18.425 19.000 -0.057 0.000 0.818 568 A HN 0.171 nan 8.150 nan 0.000 0.443 569 L N -0.007 121.206 121.223 -0.016 0.000 2.012 569 L HA -0.214 4.109 4.340 -0.027 0.000 0.210 569 L C 2.777 179.688 176.870 0.068 0.000 1.073 569 L CA 1.694 56.559 54.840 0.043 0.000 0.748 569 L CB -0.981 41.078 42.059 -0.001 0.000 0.891 569 L HN 0.481 nan 8.230 nan 0.000 0.431 570 V N -0.357 119.570 119.914 0.023 0.000 2.252 570 V HA -0.336 3.768 4.120 -0.027 0.000 0.249 570 V C 2.448 178.583 176.094 0.068 0.000 1.056 570 V CA 2.230 64.548 62.300 0.030 0.000 1.022 570 V CB -1.065 30.775 31.823 0.028 0.000 0.641 570 V HN 0.736 nan 8.190 nan 0.000 0.445 571 Q N 0.078 119.922 119.800 0.073 0.000 2.079 571 Q HA -0.300 4.024 4.340 -0.027 0.000 0.200 571 Q C 2.412 178.483 176.000 0.119 0.000 0.974 571 Q CA 2.003 57.861 55.803 0.092 0.000 0.840 571 Q CB -1.196 27.585 28.738 0.072 0.000 0.898 571 Q HN 0.911 nan 8.270 nan 0.000 0.430 572 H N 1.315 120.408 119.070 0.039 0.000 2.289 572 H HA -0.139 4.401 4.556 -0.027 0.000 0.296 572 H C 2.011 177.384 175.328 0.075 0.000 1.091 572 H CA 2.057 58.130 56.048 0.042 0.000 1.274 572 H CB 0.095 29.848 29.762 -0.015 0.000 1.364 572 H HN 0.188 nan 8.280 nan 0.000 0.490 573 V N 1.918 121.736 119.914 -0.159 0.000 2.332 573 V HA -0.283 3.821 4.120 -0.027 0.000 0.248 573 V C 2.351 178.505 176.094 0.100 0.000 1.055 573 V CA 2.014 64.201 62.300 -0.188 0.000 1.038 573 V CB -0.615 31.201 31.823 -0.010 0.000 0.651 573 V HN 0.481 nan 8.190 nan 0.000 0.450 574 N N 0.720 119.531 118.700 0.185 0.000 2.039 574 N HA -0.119 4.605 4.740 -0.027 0.000 0.193 574 N C 1.914 177.567 175.510 0.239 0.000 1.044 574 N CA 1.897 55.114 53.050 0.278 0.000 0.847 574 N CB -0.830 37.766 38.487 0.183 0.000 1.030 574 N HN 0.450 nan 8.380 nan 0.000 0.422 575 A N -0.158 122.750 122.820 0.148 0.000 1.940 575 A HA -0.173 4.131 4.320 -0.027 0.000 0.219 575 A C 2.171 179.819 177.584 0.108 0.000 1.176 575 A CA 1.411 53.516 52.037 0.113 0.000 0.631 575 A CB -1.226 17.832 19.000 0.097 0.000 0.814 575 A HN 0.538 nan 8.150 nan 0.000 0.446 576 W N -0.614 120.599 121.300 -0.145 0.000 2.318 576 W HA -0.241 4.403 4.660 -0.027 0.000 0.313 576 W C 2.053 178.485 176.519 -0.146 0.000 1.221 576 W CA 2.053 59.247 57.345 -0.251 0.000 1.266 576 W CB -0.603 28.515 29.460 -0.570 0.000 1.150 576 W HN 0.479 nan 8.180 nan 0.000 0.496 577 W N -0.127 121.274 121.300 0.169 0.000 2.333 577 W HA -0.229 4.415 4.660 -0.027 0.000 0.316 577 W C 2.677 179.119 176.519 -0.128 0.000 1.215 577 W CA 1.920 59.280 57.345 0.025 0.000 1.278 577 W CB -1.102 28.426 29.460 0.114 0.000 1.154 577 W HN -0.044 nan 8.180 nan 0.000 0.486 578 A N 0.263 123.191 122.820 0.178 0.000 1.883 578 A HA -0.253 4.051 4.320 -0.027 0.000 0.217 578 A C 1.766 179.323 177.584 -0.044 0.000 1.186 578 A CA 2.020 54.080 52.037 0.039 0.000 0.624 578 A CB -0.846 18.175 19.000 0.036 0.000 0.822 578 A HN 0.386 nan 8.150 nan 0.000 0.444 579 E N -1.485 118.662 120.200 -0.089 0.000 2.047 579 E HA -0.140 4.194 4.350 -0.027 0.000 0.191 579 E C 2.144 178.611 176.600 -0.222 0.000 0.987 579 E CA 1.412 57.728 56.400 -0.140 0.000 0.799 579 E CB -0.300 29.313 29.700 -0.145 0.000 0.752 579 E HN 0.617 nan 8.360 nan 0.000 0.449 580 T N 0.237 114.554 114.554 -0.395 0.000 2.977 580 T HA -0.075 4.259 4.350 -0.027 0.000 0.271 580 T C 1.558 176.126 174.700 -0.220 0.000 1.105 580 T CA 0.736 62.548 62.100 -0.480 0.000 1.116 580 T CB 0.018 68.284 68.868 -1.003 0.000 0.878 580 T HN 0.037 nan 8.240 nan 0.000 0.509 581 L N -0.344 120.808 121.223 -0.119 0.000 2.664 581 L HA 0.294 4.617 4.340 -0.027 0.000 0.233 581 L C 2.648 179.472 176.870 -0.077 0.000 1.113 581 L CA 0.038 54.839 54.840 -0.065 0.000 0.896 581 L CB -0.172 41.857 42.059 -0.050 0.000 1.163 581 L HN 0.194 nan 8.230 nan 0.000 0.497 582 Q N 0.719 120.470 119.800 -0.081 0.000 2.124 582 Q HA -0.207 4.117 4.340 -0.027 0.000 0.202 582 Q C 1.874 177.841 176.000 -0.055 0.000 0.977 582 Q CA 1.496 57.259 55.803 -0.066 0.000 0.850 582 Q CB 0.094 28.795 28.738 -0.062 0.000 0.901 582 Q HN 0.443 nan 8.270 nan 0.000 0.429 583 K N 0.357 120.721 120.400 -0.061 0.000 2.103 583 K HA -0.206 4.098 4.320 -0.027 0.000 0.207 583 K C 1.829 178.413 176.600 -0.027 0.000 1.048 583 K CA 1.191 57.450 56.287 -0.047 0.000 0.930 583 K CB -0.064 32.400 32.500 -0.060 0.000 0.716 583 K HN 0.160 nan 8.250 nan 0.000 0.444 584 Q N 0.097 119.883 119.800 -0.024 0.000 2.482 584 Q HA 0.078 4.402 4.340 -0.027 0.000 0.209 584 Q C -0.159 175.842 176.000 0.001 0.000 0.961 584 Q CA 0.237 56.040 55.803 0.001 0.000 0.945 584 Q CB 0.254 29.000 28.738 0.014 0.000 1.012 584 Q HN 0.172 nan 8.270 nan 0.000 0.515 585 R N -2.039 118.451 120.500 -0.018 0.000 3.584 585 R HA -0.167 4.157 4.340 -0.027 0.000 0.488 585 R C -1.145 175.139 176.300 -0.026 0.000 0.869 585 R CA 0.336 56.428 56.100 -0.013 0.000 1.325 585 R CB -1.775 28.530 30.300 0.009 0.000 2.015 585 R HN 0.056 nan 8.270 nan 0.000 0.489 586 L N 1.490 122.681 121.223 -0.054 0.000 2.275 586 L HA 0.352 4.676 4.340 -0.027 0.000 0.288 586 L C 0.900 177.692 176.870 -0.130 0.000 1.046 586 L CA 0.174 54.954 54.840 -0.101 0.000 0.805 586 L CB 1.452 43.416 42.059 -0.158 0.000 1.193 586 L HN -0.120 nan 8.230 nan 0.000 0.426 587 T N 1.226 115.704 114.554 -0.126 0.000 2.926 587 T HA 0.145 4.478 4.350 -0.027 0.000 0.307 587 T C 0.460 175.043 174.700 -0.195 0.000 1.059 587 T CA 0.009 62.032 62.100 -0.129 0.000 1.122 587 T CB 0.622 69.424 68.868 -0.110 0.000 0.972 587 T HN 0.604 nan 8.240 nan 0.000 0.545 588 S N 0.904 116.498 115.700 -0.176 0.000 2.457 588 S HA 0.513 4.967 4.470 -0.027 0.000 0.289 588 S C 1.123 175.573 174.600 -0.249 0.000 1.163 588 S CA -0.520 57.544 58.200 -0.228 0.000 1.078 588 S CB 0.689 63.806 63.200 -0.139 0.000 0.987 588 S HN 0.765 nan 8.310 nan 0.000 0.482 589 A N 5.448 128.064 122.820 -0.340 0.000 1.975 589 A HA 0.290 4.594 4.320 -0.027 0.000 0.215 589 A C 0.758 178.143 177.584 -0.331 0.000 1.170 589 A CA 0.347 52.153 52.037 -0.385 0.000 0.656 589 A CB -0.646 18.116 19.000 -0.397 0.000 0.821 589 A HN 0.786 nan 8.150 nan 0.000 0.449 590 L N 0.532 121.593 121.223 -0.270 0.000 2.559 590 L HA 0.045 4.368 4.340 -0.027 0.000 0.282 590 L C 0.614 177.506 176.870 0.038 0.000 1.232 590 L CA 0.488 55.228 54.840 -0.166 0.000 0.885 590 L CB 0.121 41.974 42.059 -0.343 0.000 1.131 590 L HN 0.520 nan 8.230 nan 0.000 0.498 591 E N 4.576 124.893 120.200 0.194 0.000 3.284 591 E HA 0.219 4.553 4.350 -0.027 0.000 0.277 591 E C -0.800 175.993 176.600 0.322 0.000 1.218 591 E CA -0.441 56.112 56.400 0.256 0.000 0.925 591 E CB 0.779 30.629 29.700 0.250 0.000 1.409 591 E HN 0.599 nan 8.360 nan 0.000 0.388 592 L N 2.138 123.567 121.223 0.343 0.000 2.482 592 L HA 0.274 4.597 4.340 -0.027 0.000 0.273 592 L C -0.645 176.212 176.870 -0.022 0.000 1.228 592 L CA 0.375 55.188 54.840 -0.045 0.000 0.827 592 L CB 0.540 42.285 42.059 -0.523 0.000 1.099 592 L HN 0.443 nan 8.230 nan 0.000 0.494 593 E N 2.783 122.926 120.200 -0.095 0.000 2.408 593 E HA 0.197 4.531 4.350 -0.027 0.000 0.275 593 E C -1.895 174.680 176.600 -0.042 0.000 0.935 593 E CA -0.798 55.589 56.400 -0.023 0.000 0.775 593 E CB 1.677 31.378 29.700 0.003 0.000 1.277 593 E HN 0.562 nan 8.360 nan 0.000 0.455 594 Y N 1.931 122.169 120.300 -0.104 0.000 2.350 594 Y HA 0.185 4.719 4.550 -0.027 0.000 0.340 594 Y C 0.587 176.418 175.900 -0.115 0.000 1.006 594 Y CA 0.066 58.090 58.100 -0.126 0.000 1.166 594 Y CB 0.795 39.187 38.460 -0.113 0.000 1.168 594 Y HN 0.522 nan 8.280 nan 0.000 0.502 595 E N 3.126 122.879 120.200 -0.745 0.000 2.052 595 E HA 0.064 4.398 4.350 -0.027 0.000 0.192 595 E C 0.169 176.277 176.600 -0.821 0.000 0.958 595 E CA 1.333 57.355 56.400 -0.630 0.000 0.835 595 E CB -0.027 29.439 29.700 -0.391 0.000 0.811 595 E HN 0.706 nan 8.360 nan 0.000 0.462 596 T N -1.684 112.352 114.554 -0.863 0.000 2.821 596 T HA 0.353 4.687 4.350 -0.027 0.000 0.306 596 T C -0.970 173.387 174.700 -0.571 0.000 1.313 596 T CA -0.927 60.764 62.100 -0.681 0.000 1.012 596 T CB 2.404 70.906 68.868 -0.610 0.000 1.298 596 T HN 0.213 nan 8.240 nan 0.000 0.502 597 H N 0.789 119.549 119.070 -0.517 0.000 2.667 597 H HA 0.588 5.128 4.556 -0.027 0.000 0.353 597 H C -2.051 173.063 175.328 -0.355 0.000 1.072 597 H CA -0.864 54.990 56.048 -0.323 0.000 1.214 597 H CB 1.362 31.104 29.762 -0.034 0.000 1.600 597 H HN 0.498 nan 8.280 nan 0.000 0.527 598 F N 3.702 123.324 119.950 -0.547 0.000 2.444 598 F HA 0.221 4.731 4.527 -0.027 0.000 0.342 598 F C 1.422 176.863 175.800 -0.599 0.000 1.121 598 F CA -0.706 57.031 58.000 -0.438 0.000 0.997 598 F CB 1.093 40.056 39.000 -0.062 0.000 1.130 598 F HN 0.611 nan 8.300 nan 0.000 0.454 599 C N 1.158 120.317 119.300 -0.236 0.000 2.436 599 C HA -0.010 4.433 4.460 -0.027 0.000 0.277 599 C C 0.913 175.900 174.990 -0.006 0.000 1.241 599 C CA 0.178 59.143 59.018 -0.088 0.000 1.721 599 C CB -0.892 26.857 27.740 0.014 0.000 2.043 599 C HN 0.567 nan 8.230 nan 0.000 0.472 600 R N 0.101 120.549 120.500 -0.087 0.000 2.561 600 R HA 0.634 4.958 4.340 -0.027 0.000 0.297 600 R C -1.469 174.685 176.300 -0.244 0.000 0.969 600 R CA -0.232 55.818 56.100 -0.082 0.000 0.879 600 R CB 1.804 32.075 30.300 -0.048 0.000 1.178 600 R HN 0.473 nan 8.270 nan 0.000 0.445 601 F N 3.507 123.319 119.950 -0.231 0.000 2.557 601 F HA 0.416 4.927 4.527 -0.027 0.000 0.316 601 F C -1.572 174.171 175.800 -0.095 0.000 1.141 601 F CA -1.342 56.486 58.000 -0.287 0.000 0.922 601 F CB 1.582 40.490 39.000 -0.152 0.000 1.194 601 F HN 0.464 nan 8.300 nan 0.000 0.443 602 L N 8.321 129.357 121.223 -0.311 0.000 2.325 602 L HA 0.782 5.106 4.340 -0.027 0.000 0.278 602 L C -1.093 175.554 176.870 -0.371 0.000 1.023 602 L CA -0.499 54.238 54.840 -0.171 0.000 0.811 602 L CB 1.690 43.705 42.059 -0.074 0.000 1.249 602 L HN 0.866 nan 8.230 nan 0.000 0.431 603 M N 6.560 126.096 119.600 -0.107 0.000 2.465 603 M HA 0.897 5.361 4.480 -0.027 0.000 0.284 603 M C -3.067 173.197 176.300 -0.061 0.000 1.212 603 M CA -0.706 54.567 55.300 -0.044 0.000 0.910 603 M CB 2.893 35.637 32.600 0.240 0.000 1.725 603 M HN 0.475 nan 8.290 nan 0.000 0.477 617 Y N -1.843 118.276 120.300 -0.302 0.000 2.540 617 Y HA 0.908 5.442 4.550 -0.027 0.000 0.371 617 Y C 0.614 176.266 175.900 -0.415 0.000 1.337 617 Y CA -1.511 56.332 58.100 -0.428 0.000 1.590 617 Y CB 0.738 38.815 38.460 -0.638 0.000 1.676 617 Y HN 0.565 nan 8.280 nan 0.000 0.614 618 A N -0.852 121.726 122.820 -0.404 0.000 2.608 618 A HA 0.785 5.089 4.320 -0.027 0.000 0.292 618 A C -0.682 176.369 177.584 -0.888 0.000 1.066 618 A CA -0.140 51.566 52.037 -0.550 0.000 0.676 618 A CB 1.122 19.910 19.000 -0.353 0.000 1.277 618 A HN 1.682 nan 8.150 nan 0.000 0.413 619 G N -0.724 107.432 108.800 -1.074 0.000 2.576 619 G HA2 0.652 4.596 3.960 -0.027 0.000 0.290 619 G HA3 0.652 4.596 3.960 -0.027 0.000 0.290 619 G C -2.035 172.090 174.900 -1.291 0.000 1.442 619 G CA -0.393 43.833 45.100 -1.456 0.000 0.792 619 G HN 1.514 nan 8.290 nan 0.000 0.491 620 L N 0.439 120.968 121.223 -1.156 0.000 2.334 620 L HA 0.932 5.256 4.340 -0.027 0.000 0.270 620 L C -0.285 176.552 176.870 -0.056 0.000 1.018 620 L CA -1.104 53.393 54.840 -0.572 0.000 0.811 620 L CB 1.687 43.420 42.059 -0.543 0.000 1.271 620 L HN 0.725 nan 8.230 nan 0.000 0.443 621 I N 2.169 122.794 120.570 0.092 0.000 2.644 621 I HA 0.396 4.550 4.170 -0.027 0.000 0.291 621 I C -1.729 174.443 176.117 0.092 0.000 1.180 621 I CA -0.490 60.929 61.300 0.200 0.000 1.040 621 I CB 1.917 40.086 38.000 0.281 0.000 1.255 621 I HN 0.754 nan 8.210 nan 0.000 0.422 622 Q N 6.141 125.991 119.800 0.084 0.000 2.372 622 Q HA 0.300 4.624 4.340 -0.027 0.000 0.259 622 Q C -0.803 175.241 176.000 0.073 0.000 0.993 622 Q CA -0.713 55.135 55.803 0.075 0.000 0.854 622 Q CB 1.178 29.965 28.738 0.081 0.000 1.231 622 Q HN 0.543 nan 8.270 nan 0.000 0.462 623 E N 2.116 122.350 120.200 0.057 0.000 2.390 623 E HA 0.039 4.373 4.350 -0.027 0.000 0.261 623 E C 0.872 177.501 176.600 0.048 0.000 1.076 623 E CA 0.277 56.706 56.400 0.049 0.000 0.905 623 E CB 0.745 30.469 29.700 0.039 0.000 0.984 623 E HN 0.887 nan 8.360 nan 0.000 0.427 624 G N 2.311 111.138 108.800 0.044 0.000 2.469 624 G HA2 -0.297 3.646 3.960 -0.027 0.000 0.219 624 G HA3 -0.297 3.646 3.960 -0.027 0.000 0.219 624 G C 0.931 175.852 174.900 0.036 0.000 1.150 624 G CA 0.659 45.783 45.100 0.041 0.000 0.763 624 G HN 0.428 nan 8.290 nan 0.000 0.561 625 D N 0.137 120.556 120.400 0.032 0.000 2.178 625 D HA 0.067 4.691 4.640 -0.027 0.000 0.202 625 D C 1.409 177.727 176.300 0.030 0.000 0.974 625 D CA 1.062 55.079 54.000 0.028 0.000 0.841 625 D CB 0.248 41.062 40.800 0.025 0.000 0.953 625 D HN 0.369 nan 8.370 nan 0.000 0.478 626 K N -1.266 119.154 120.400 0.034 0.000 2.303 626 K HA 0.296 4.600 4.320 -0.027 0.000 0.258 626 K C -0.891 175.734 176.600 0.041 0.000 0.846 626 K CA -0.664 55.644 56.287 0.035 0.000 0.686 626 K CB 1.145 33.663 32.500 0.031 0.000 1.425 626 K HN -0.199 nan 8.250 nan 0.000 0.345 627 Q N 0.605 120.429 119.800 0.040 0.000 2.458 627 Q HA 0.606 4.930 4.340 -0.027 0.000 0.282 627 Q C -1.172 174.854 176.000 0.043 0.000 1.106 627 Q CA -1.030 54.800 55.803 0.044 0.000 0.814 627 Q CB 3.146 31.910 28.738 0.043 0.000 1.425 627 Q HN 0.366 nan 8.270 nan 0.000 0.437 628 R N 0.874 121.400 120.500 0.044 0.000 2.707 628 R HA 0.562 4.886 4.340 -0.027 0.000 0.272 628 R C -1.560 174.752 176.300 0.019 0.000 1.011 628 R CA -0.477 55.649 56.100 0.044 0.000 0.893 628 R CB 1.756 32.090 30.300 0.056 0.000 1.233 628 R HN 0.641 nan 8.270 nan 0.000 0.464 629 M N 3.366 122.973 119.600 0.011 0.000 2.364 629 M HA 0.423 4.887 4.480 -0.027 0.000 0.334 629 M C -1.026 175.200 176.300 -0.123 0.000 1.107 629 M CA -1.088 54.157 55.300 -0.092 0.000 0.988 629 M CB 2.166 34.754 32.600 -0.019 0.000 1.673 629 M HN 0.280 nan 8.290 nan 0.000 0.441 630 V N 3.398 123.109 119.914 -0.338 0.000 2.540 630 V HA 0.583 4.686 4.120 -0.027 0.000 0.302 630 V C -1.022 174.762 176.094 -0.515 0.000 1.035 630 V CA -0.537 61.625 62.300 -0.230 0.000 0.873 630 V CB 1.882 33.678 31.823 -0.045 0.000 0.992 630 V HN 0.643 nan 8.190 nan 0.000 0.428 631 F N 2.881 122.718 119.950 -0.187 0.000 2.561 631 F HA 0.819 5.329 4.527 -0.027 0.000 0.321 631 F C 0.039 175.637 175.800 -0.336 0.000 1.065 631 F CA -0.826 57.003 58.000 -0.284 0.000 0.934 631 F CB 2.343 41.171 39.000 -0.287 0.000 1.215 631 F HN 0.259 nan 8.300 nan 0.000 0.471 632 K N -0.185 120.052 120.400 -0.271 0.000 2.498 632 K HA 0.593 4.897 4.320 -0.027 0.000 0.254 632 K C -0.107 176.335 176.600 -0.263 0.000 0.933 632 K CA -0.198 55.867 56.287 -0.370 0.000 0.806 632 K CB 1.975 33.978 32.500 -0.829 0.000 1.301 632 K HN 0.745 nan 8.250 nan 0.000 0.432 633 G N 2.487 111.180 108.800 -0.178 0.000 2.390 633 G HA2 -0.261 3.682 3.960 -0.027 0.000 0.299 633 G HA3 -0.261 3.682 3.960 -0.027 0.000 0.299 633 G C -0.566 174.248 174.900 -0.144 0.000 1.002 633 G CA 0.886 45.906 45.100 -0.133 0.000 0.979 633 G HN 0.326 nan 8.290 nan 0.000 0.513 634 L N -2.034 119.082 121.223 -0.178 0.000 2.350 634 L HA 0.476 4.799 4.340 -0.027 0.000 0.260 634 L C 1.376 177.995 176.870 -0.418 0.000 1.015 634 L CA -1.183 53.498 54.840 -0.264 0.000 0.821 634 L CB 1.458 43.393 42.059 -0.208 0.000 1.370 634 L HN 0.120 nan 8.230 nan 0.000 0.416 635 E N -0.416 119.399 120.200 -0.643 0.000 2.130 635 E HA -0.209 4.125 4.350 -0.027 0.000 0.196 635 E C 1.642 177.867 176.600 -0.625 0.000 0.998 635 E CA 1.749 57.533 56.400 -1.028 0.000 0.806 635 E CB -0.121 28.651 29.700 -1.546 0.000 0.738 635 E HN 0.651 nan 8.360 nan 0.000 0.459 636 T N -0.530 113.652 114.554 -0.620 0.000 2.788 636 T HA -0.085 4.249 4.350 -0.027 0.000 0.268 636 T C 1.303 175.761 174.700 -0.405 0.000 1.044 636 T CA 1.186 62.931 62.100 -0.590 0.000 1.139 636 T CB 0.028 68.243 68.868 -1.089 0.000 0.867 636 T HN 0.015 nan 8.240 nan 0.000 0.454 637 V N 1.181 120.881 119.914 -0.357 0.000 3.444 637 V HA 0.384 4.488 4.120 -0.027 0.000 0.308 637 V C 0.866 176.894 176.094 -0.111 0.000 1.371 637 V CA -0.395 61.788 62.300 -0.195 0.000 1.141 637 V CB -0.256 31.477 31.823 -0.151 0.000 1.037 637 V HN 0.098 nan 8.190 nan 0.000 0.433 638 R N 0.329 120.763 120.500 -0.111 0.000 2.580 638 R HA 0.407 4.731 4.340 -0.027 0.000 0.267 638 R C 1.267 177.615 176.300 0.080 0.000 1.125 638 R CA 0.634 56.750 56.100 0.028 0.000 1.188 638 R CB 0.707 31.085 30.300 0.131 0.000 1.155 638 R HN 0.083 nan 8.270 nan 0.000 0.586 639 T N -0.981 113.655 114.554 0.137 0.000 2.964 639 T HA 0.041 4.374 4.350 -0.027 0.000 0.250 639 T C 0.145 174.925 174.700 0.134 0.000 0.982 639 T CA 0.463 62.627 62.100 0.108 0.000 0.959 639 T CB 0.017 68.935 68.868 0.083 0.000 1.141 639 T HN 0.718 nan 8.240 nan 0.000 0.494 640 D N -0.657 119.844 120.400 0.167 0.000 2.355 640 D HA 0.006 4.630 4.640 -0.027 0.000 0.218 640 D C 0.579 176.950 176.300 0.119 0.000 1.004 640 D CA -0.157 53.907 54.000 0.108 0.000 0.880 640 D CB -0.188 40.633 40.800 0.036 0.000 0.911 640 D HN 0.383 nan 8.370 nan 0.000 0.528 641 W N 1.143 122.473 121.300 0.050 0.000 1.833 641 W HA 0.380 5.023 4.660 -0.027 0.000 0.390 641 W C 0.730 177.243 176.519 -0.011 0.000 1.680 641 W CA -0.194 57.183 57.345 0.053 0.000 1.828 641 W CB 0.378 29.836 29.460 -0.003 0.000 1.357 641 W HN -0.383 nan 8.180 nan 0.000 0.720 642 T N 1.972 116.654 114.554 0.213 0.000 2.888 642 T HA 0.180 4.514 4.350 -0.027 0.000 0.284 642 T C -1.842 172.875 174.700 0.028 0.000 1.017 642 T CA -1.198 60.872 62.100 -0.050 0.000 1.022 642 T CB 1.597 70.261 68.868 -0.338 0.000 1.013 642 T HN 0.043 nan 8.240 nan 0.000 0.465 643 P HA -0.044 nan 4.420 nan 0.000 0.218 643 P C 1.642 178.942 177.300 -0.001 0.000 1.146 643 P CA 0.612 63.701 63.100 -0.018 0.000 0.813 643 P CB 0.158 31.835 31.700 -0.039 0.000 0.778 644 L N -0.953 120.262 121.223 -0.013 0.000 2.017 644 L HA -0.192 4.132 4.340 -0.027 0.000 0.208 644 L C 2.180 179.093 176.870 0.073 0.000 1.073 644 L CA 2.032 56.869 54.840 -0.005 0.000 0.745 644 L CB -0.794 41.236 42.059 -0.047 0.000 0.894 644 L HN -0.017 nan 8.230 nan 0.000 0.432 645 A N -0.806 122.077 122.820 0.105 0.000 1.872 645 A HA -0.205 4.099 4.320 -0.027 0.000 0.214 645 A C 2.053 179.677 177.584 0.066 0.000 1.187 645 A CA 1.113 53.248 52.037 0.163 0.000 0.614 645 A CB -0.401 18.768 19.000 0.281 0.000 0.826 645 A HN 0.543 nan 8.150 nan 0.000 0.442 646 Q N -0.558 119.243 119.800 0.001 0.000 2.061 646 Q HA -0.299 4.024 4.340 -0.027 0.000 0.204 646 Q C 2.219 178.167 176.000 -0.087 0.000 0.984 646 Q CA 1.981 57.716 55.803 -0.113 0.000 0.846 646 Q CB -0.415 28.268 28.738 -0.090 0.000 0.902 646 Q HN 0.896 nan 8.270 nan 0.000 0.421 647 Q N 0.159 119.965 119.800 0.009 0.000 2.079 647 Q HA -0.154 4.170 4.340 -0.027 0.000 0.200 647 Q C 1.897 177.980 176.000 0.140 0.000 0.974 647 Q CA 1.068 56.903 55.803 0.052 0.000 0.840 647 Q CB -0.223 28.560 28.738 0.074 0.000 0.898 647 Q HN 0.292 nan 8.270 nan 0.000 0.430 648 F N 1.107 121.075 119.950 0.030 0.000 2.146 648 F HA -0.152 4.359 4.527 -0.027 0.000 0.298 648 F C 2.313 178.170 175.800 0.095 0.000 1.096 648 F CA 1.999 60.055 58.000 0.095 0.000 1.275 648 F CB -0.322 38.696 39.000 0.030 0.000 1.008 648 F HN 0.198 nan 8.300 nan 0.000 0.480 649 Q N -0.048 119.754 119.800 0.005 0.000 2.050 649 Q HA -0.247 4.077 4.340 -0.027 0.000 0.202 649 Q C 2.247 178.160 176.000 -0.144 0.000 0.980 649 Q CA 1.977 57.697 55.803 -0.138 0.000 0.840 649 Q CB -0.173 28.392 28.738 -0.288 0.000 0.898 649 Q HN 0.586 nan 8.270 nan 0.000 0.424 650 Q N 0.123 119.823 119.800 -0.167 0.000 2.030 650 Q HA -0.207 4.116 4.340 -0.027 0.000 0.204 650 Q C 1.940 177.955 176.000 0.024 0.000 0.986 650 Q CA 1.850 57.615 55.803 -0.064 0.000 0.843 650 Q CB -0.057 28.631 28.738 -0.084 0.000 0.904 650 Q HN 0.486 nan 8.270 nan 0.000 0.420 651 E N 0.680 120.873 120.200 -0.011 0.000 2.106 651 E HA -0.143 4.191 4.350 -0.027 0.000 0.192 651 E C 2.097 178.637 176.600 -0.101 0.000 0.984 651 E CA 0.579 56.936 56.400 -0.072 0.000 0.806 651 E CB -0.108 29.513 29.700 -0.132 0.000 0.750 651 E HN 0.299 nan 8.360 nan 0.000 0.458 652 L N 0.127 121.304 121.223 -0.077 0.000 2.056 652 L HA -0.194 4.130 4.340 -0.027 0.000 0.207 652 L C 2.229 178.995 176.870 -0.173 0.000 1.078 652 L CA 1.359 56.109 54.840 -0.148 0.000 0.749 652 L CB -0.176 41.635 42.059 -0.414 0.000 0.901 652 L HN 0.149 nan 8.230 nan 0.000 0.433 653 Y N -0.622 119.482 120.300 -0.325 0.000 2.145 653 Y HA -0.302 4.231 4.550 -0.027 0.000 0.286 653 Y C 2.319 177.890 175.900 -0.549 0.000 1.145 653 Y CA 1.467 59.243 58.100 -0.540 0.000 1.148 653 Y CB -0.658 37.611 38.460 -0.318 0.000 0.981 653 Y HN 0.124 nan 8.280 nan 0.000 0.507 654 L N 0.486 121.707 121.223 -0.004 0.000 2.079 654 L HA -0.217 4.107 4.340 -0.027 0.000 0.210 654 L C 2.251 179.116 176.870 -0.007 0.000 1.081 654 L CA 1.708 56.588 54.840 0.065 0.000 0.752 654 L CB -0.634 41.465 42.059 0.066 0.000 0.896 654 L HN 0.096 nan 8.230 nan 0.000 0.433 655 R N -0.723 119.731 120.500 -0.076 0.000 2.073 655 R HA -0.113 4.211 4.340 -0.027 0.000 0.234 655 R C 2.275 178.547 176.300 -0.048 0.000 1.134 655 R CA 1.915 57.985 56.100 -0.050 0.000 0.952 655 R CB -0.448 29.832 30.300 -0.035 0.000 0.850 655 R HN 0.407 nan 8.270 nan 0.000 0.433 656 I N -0.142 120.317 120.570 -0.185 0.000 2.286 656 I HA -0.225 3.929 4.170 -0.027 0.000 0.245 656 I C 1.780 177.829 176.117 -0.114 0.000 1.104 656 I CA 1.011 62.183 61.300 -0.213 0.000 1.397 656 I CB -0.243 37.481 38.000 -0.460 0.000 1.072 656 I HN 0.010 nan 8.210 nan 0.000 0.417 657 F N 1.466 121.369 119.950 -0.078 0.000 2.202 657 F HA -0.144 4.366 4.527 -0.027 0.000 0.301 657 F C 2.353 178.137 175.800 -0.027 0.000 1.082 657 F CA 1.249 59.210 58.000 -0.065 0.000 1.313 657 F CB -0.727 38.232 39.000 -0.068 0.000 1.024 657 F HN 0.003 nan 8.300 nan 0.000 0.495 658 R N 0.195 120.792 120.500 0.162 0.000 2.313 658 R HA 0.016 4.340 4.340 -0.027 0.000 0.199 658 R C 0.006 176.349 176.300 0.071 0.000 0.958 658 R CA 0.236 56.397 56.100 0.101 0.000 1.047 658 R CB -0.506 29.838 30.300 0.073 0.000 0.955 658 R HN 0.125 nan 8.270 nan 0.000 0.481 659 N N 1.881 120.622 118.700 0.068 0.000 2.721 659 N HA -0.174 4.550 4.740 -0.027 0.000 0.249 659 N C -0.910 174.633 175.510 0.054 0.000 1.072 659 N CA 1.164 54.249 53.050 0.059 0.000 0.710 659 N CB -0.933 37.588 38.487 0.057 0.000 0.993 659 N HN 0.516 nan 8.380 nan 0.000 0.547 660 E N 0.240 120.473 120.200 0.054 0.000 2.250 660 E HA 0.413 4.746 4.350 -0.027 0.000 0.265 660 E C -2.058 174.585 176.600 0.073 0.000 1.033 660 E CA -1.631 54.794 56.400 0.042 0.000 0.888 660 E CB 0.966 30.679 29.700 0.022 0.000 1.151 660 E HN 0.085 nan 8.360 nan 0.000 0.412 661 P HA -0.002 nan 4.420 nan 0.000 0.275 661 P C -0.968 176.323 177.300 -0.016 0.000 1.228 661 P CA 0.226 63.285 63.100 -0.067 0.000 0.786 661 P CB 0.372 32.012 31.700 -0.100 0.000 0.927 662 Y N -0.840 119.471 120.300 0.018 0.000 2.515 662 Y HA 0.277 4.811 4.550 -0.027 0.000 0.267 662 Y C 2.084 178.048 175.900 0.106 0.000 1.058 662 Y CA -0.226 57.918 58.100 0.074 0.000 1.231 662 Y CB -0.724 37.756 38.460 0.033 0.000 1.350 662 Y HN 0.115 nan 8.280 nan 0.000 0.554 663 Q N 1.365 120.743 119.800 -0.702 0.000 2.045 663 Q HA -0.186 4.138 4.340 -0.027 0.000 0.206 663 Q C 1.367 177.345 176.000 -0.037 0.000 0.991 663 Q CA 2.136 57.754 55.803 -0.309 0.000 0.851 663 Q CB -0.081 28.431 28.738 -0.377 0.000 0.911 663 Q HN 0.509 nan 8.270 nan 0.000 0.418 664 E N -0.098 120.084 120.200 -0.031 0.000 2.208 664 E HA -0.146 4.187 4.350 -0.027 0.000 0.193 664 E C 1.692 178.346 176.600 0.090 0.000 0.988 664 E CA 0.553 56.965 56.400 0.020 0.000 0.828 664 E CB -0.230 29.476 29.700 0.010 0.000 0.763 664 E HN 0.414 nan 8.360 nan 0.000 0.478 665 Y N 1.538 121.860 120.300 0.037 0.000 2.181 665 Y HA -0.217 4.317 4.550 -0.027 0.000 0.288 665 Y C 2.146 178.139 175.900 0.154 0.000 1.146 665 Y CA 0.932 59.082 58.100 0.084 0.000 1.164 665 Y CB -0.501 38.011 38.460 0.088 0.000 0.982 665 Y HN -0.211 nan 8.280 nan 0.000 0.515 666 V N 1.623 121.506 119.914 -0.051 0.000 2.220 666 V HA -0.381 3.723 4.120 -0.027 0.000 0.246 666 V C 2.594 178.624 176.094 -0.106 0.000 1.049 666 V CA 2.880 65.151 62.300 -0.048 0.000 1.003 666 V CB -0.829 31.087 31.823 0.156 0.000 0.634 666 V HN 0.533 nan 8.190 nan 0.000 0.444 667 R N 0.837 121.312 120.500 -0.042 0.000 2.115 667 R HA -0.162 4.162 4.340 -0.027 0.000 0.230 667 R C 1.980 178.237 176.300 -0.071 0.000 1.111 667 R CA 2.135 58.201 56.100 -0.057 0.000 0.976 667 R CB -0.792 29.490 30.300 -0.029 0.000 0.870 667 R HN 0.614 nan 8.270 nan 0.000 0.445 668 E N 0.042 120.214 120.200 -0.048 0.000 2.065 668 E HA -0.217 4.117 4.350 -0.027 0.000 0.201 668 E C 1.418 177.980 176.600 -0.063 0.000 1.016 668 E CA 2.316 58.705 56.400 -0.019 0.000 0.818 668 E CB -0.207 29.531 29.700 0.064 0.000 0.749 668 E HN 0.469 nan 8.360 nan 0.000 0.453 669 T N 0.432 114.905 114.554 -0.136 0.000 2.746 669 T HA -0.102 4.232 4.350 -0.027 0.000 0.267 669 T C 1.828 176.421 174.700 -0.179 0.000 1.039 669 T CA 1.284 63.289 62.100 -0.158 0.000 1.142 669 T CB -0.160 68.559 68.868 -0.248 0.000 0.866 669 T HN 0.169 nan 8.240 nan 0.000 0.444 670 I N 1.012 121.466 120.570 -0.193 0.000 2.315 670 I HA -0.146 4.008 4.170 -0.027 0.000 0.248 670 I C 2.130 178.148 176.117 -0.164 0.000 1.117 670 I CA 1.099 62.285 61.300 -0.190 0.000 1.404 670 I CB -0.304 37.598 38.000 -0.164 0.000 1.071 670 I HN 0.110 nan 8.210 nan 0.000 0.419 671 D N 0.858 121.183 120.400 -0.125 0.000 2.263 671 D HA -0.129 4.495 4.640 -0.027 0.000 0.208 671 D C 2.144 178.364 176.300 -0.134 0.000 0.971 671 D CA 0.802 54.735 54.000 -0.112 0.000 0.867 671 D CB -0.067 40.688 40.800 -0.076 0.000 0.929 671 D HN 0.209 nan 8.370 nan 0.000 0.492 672 K N 0.548 120.869 120.400 -0.132 0.000 2.001 672 K HA -0.060 4.244 4.320 -0.027 0.000 0.208 672 K C 2.313 178.797 176.600 -0.194 0.000 1.048 672 K CA 0.484 56.694 56.287 -0.129 0.000 0.932 672 K CB -0.722 31.720 32.500 -0.096 0.000 0.715 672 K HN 0.309 nan 8.250 nan 0.000 0.437 673 L N -0.908 120.167 121.223 -0.246 0.000 2.072 673 L HA -0.006 4.318 4.340 -0.027 0.000 0.205 673 L C 2.482 178.945 176.870 -0.678 0.000 1.079 673 L CA 1.084 55.704 54.840 -0.367 0.000 0.752 673 L CB -0.343 41.536 42.059 -0.300 0.000 0.906 673 L HN -0.036 nan 8.230 nan 0.000 0.436 674 M N 1.162 120.447 119.600 -0.526 0.000 2.202 674 M HA -0.076 4.387 4.480 -0.027 0.000 0.262 674 M C 2.151 178.163 176.300 -0.480 0.000 1.063 674 M CA 1.937 56.896 55.300 -0.568 0.000 1.097 674 M CB -0.442 32.005 32.600 -0.254 0.000 1.382 674 M HN 0.452 nan 8.290 nan 0.000 0.413 675 A N -1.323 121.305 122.820 -0.320 0.000 2.168 675 A HA 0.359 4.663 4.320 -0.027 0.000 0.215 675 A C 1.818 179.277 177.584 -0.209 0.000 1.152 675 A CA 0.985 52.903 52.037 -0.198 0.000 0.716 675 A CB -1.046 17.873 19.000 -0.134 0.000 0.794 675 A HN 0.865 nan 8.150 nan 0.000 0.465 676 G N -1.212 107.368 108.800 -0.366 0.000 2.176 676 G HA2 -0.268 3.676 3.960 -0.027 0.000 0.232 676 G HA3 -0.268 3.676 3.960 -0.027 0.000 0.232 676 G C 0.608 175.434 174.900 -0.122 0.000 0.986 676 G CA 0.837 45.806 45.100 -0.218 0.000 0.643 676 G HN 0.415 nan 8.290 nan 0.000 0.522 677 E N -0.290 119.822 120.200 -0.146 0.000 2.171 677 E HA -0.031 4.303 4.350 -0.027 0.000 0.197 677 E C 1.440 177.996 176.600 -0.073 0.000 0.997 677 E CA 1.476 57.822 56.400 -0.091 0.000 0.810 677 E CB -0.125 29.522 29.700 -0.089 0.000 0.738 677 E HN 0.724 nan 8.360 nan 0.000 0.467 678 L N -0.066 121.100 121.223 -0.096 0.000 2.637 678 L HA 0.361 4.685 4.340 -0.027 0.000 0.241 678 L C -0.098 176.719 176.870 -0.090 0.000 1.398 678 L CA -0.441 54.352 54.840 -0.078 0.000 0.895 678 L CB 1.367 43.378 42.059 -0.081 0.000 1.183 678 L HN -0.233 nan 8.230 nan 0.000 0.497 679 D N 1.465 121.827 120.400 -0.062 0.000 2.224 679 D HA -0.047 4.576 4.640 -0.027 0.000 0.205 679 D C 2.162 178.404 176.300 -0.097 0.000 0.965 679 D CA 1.236 55.191 54.000 -0.075 0.000 0.852 679 D CB 0.415 41.200 40.800 -0.024 0.000 0.947 679 D HN 0.541 nan 8.370 nan 0.000 0.494 680 A N 0.775 123.554 122.820 -0.068 0.000 1.933 680 A HA -0.172 4.132 4.320 -0.027 0.000 0.218 680 A C 1.981 179.515 177.584 -0.083 0.000 1.175 680 A CA 1.049 53.049 52.037 -0.061 0.000 0.628 680 A CB -0.414 18.562 19.000 -0.040 0.000 0.814 680 A HN 0.125 nan 8.150 nan 0.000 0.444 681 R N -0.482 119.961 120.500 -0.095 0.000 2.357 681 R HA 0.119 4.443 4.340 -0.027 0.000 0.202 681 R C 0.762 176.965 176.300 -0.161 0.000 1.047 681 R CA 0.395 56.434 56.100 -0.101 0.000 1.034 681 R CB -0.317 29.933 30.300 -0.084 0.000 0.875 681 R HN 0.473 nan 8.270 nan 0.000 0.473 682 L N 0.769 121.855 121.223 -0.228 0.000 2.611 682 L HA 0.126 4.450 4.340 -0.027 0.000 0.229 682 L C -0.162 176.615 176.870 -0.155 0.000 1.137 682 L CA -0.195 54.423 54.840 -0.370 0.000 0.901 682 L CB 0.528 42.178 42.059 -0.680 0.000 1.098 682 L HN -0.091 nan 8.230 nan 0.000 0.456 683 V N -0.564 119.266 119.914 -0.140 0.000 2.432 683 V HA 0.148 4.252 4.120 -0.027 0.000 0.275 683 V C -0.408 175.551 176.094 -0.225 0.000 1.043 683 V CA -0.511 61.715 62.300 -0.122 0.000 0.925 683 V CB 0.549 32.324 31.823 -0.079 0.000 0.985 683 V HN 0.008 nan 8.190 nan 0.000 0.466 684 Y N 4.026 124.154 120.300 -0.286 0.000 2.342 684 Y HA 0.629 5.162 4.550 -0.027 0.000 0.334 684 Y C 0.494 176.047 175.900 -0.578 0.000 1.067 684 Y CA -0.477 57.336 58.100 -0.478 0.000 1.128 684 Y CB 1.375 39.300 38.460 -0.890 0.000 1.200 684 Y HN 0.573 nan 8.280 nan 0.000 0.464 685 R N 3.731 124.158 120.500 -0.120 0.000 2.532 685 R HA 0.610 4.934 4.340 -0.027 0.000 0.297 685 R C -1.765 174.575 176.300 0.066 0.000 0.984 685 R CA -0.863 55.219 56.100 -0.030 0.000 0.884 685 R CB 1.173 31.478 30.300 0.009 0.000 1.182 685 R HN 0.755 nan 8.270 nan 0.000 0.442 686 K N 2.864 123.365 120.400 0.169 0.000 2.523 686 K HA 0.332 4.636 4.320 -0.027 0.000 0.257 686 K C -1.013 175.741 176.600 0.257 0.000 0.932 686 K CA -1.049 55.344 56.287 0.178 0.000 0.812 686 K CB 1.157 33.704 32.500 0.078 0.000 1.326 686 K HN 0.614 nan 8.250 nan 0.000 0.433 687 R N 4.054 124.679 120.500 0.209 0.000 2.582 687 R HA 0.274 4.598 4.340 -0.027 0.000 0.271 687 R C -1.201 175.267 176.300 0.279 0.000 1.078 687 R CA -0.113 56.116 56.100 0.215 0.000 1.127 687 R CB -0.113 30.290 30.300 0.172 0.000 1.038 687 R HN 0.567 nan 8.270 nan 0.000 0.500 688 L N 3.966 125.316 121.223 0.212 0.000 2.280 688 L HA 0.443 4.767 4.340 -0.027 0.000 0.287 688 L C 1.736 178.719 176.870 0.188 0.000 1.023 688 L CA -0.435 54.517 54.840 0.187 0.000 0.819 688 L CB 1.789 43.902 42.059 0.089 0.000 1.212 688 L HN 0.605 nan 8.230 nan 0.000 0.420 689 R N 2.120 122.742 120.500 0.205 0.000 2.090 689 R HA 0.080 4.404 4.340 -0.027 0.000 0.228 689 R C 0.084 176.414 176.300 0.050 0.000 1.110 689 R CA 0.860 57.032 56.100 0.119 0.000 0.973 689 R CB 0.129 30.489 30.300 0.100 0.000 0.869 689 R HN 0.570 nan 8.270 nan 0.000 0.440 690 R N 0.558 121.062 120.500 0.005 0.000 2.854 690 R HA 0.383 4.707 4.340 -0.027 0.000 0.271 690 R C -2.697 173.603 176.300 -0.001 0.000 0.996 690 R CA -2.480 53.556 56.100 -0.106 0.000 0.961 690 R CB 0.618 30.678 30.300 -0.401 0.000 1.182 690 R HN -0.186 nan 8.270 nan 0.000 0.479 691 P HA -0.059 nan 4.420 nan 0.000 0.264 691 P C 0.444 177.810 177.300 0.110 0.000 1.183 691 P CA 0.231 63.359 63.100 0.047 0.000 0.763 691 P CB 0.450 32.157 31.700 0.011 0.000 0.807 692 L N 2.519 123.847 121.223 0.176 0.000 2.081 692 L HA -0.260 4.064 4.340 -0.027 0.000 0.212 692 L C 2.332 179.343 176.870 0.235 0.000 1.080 692 L CA 2.162 57.166 54.840 0.273 0.000 0.754 692 L CB -1.225 40.904 42.059 0.116 0.000 0.893 692 L HN 0.376 nan 8.230 nan 0.000 0.433 693 S N -0.241 115.525 115.700 0.111 0.000 2.359 693 S HA -0.243 4.211 4.470 -0.027 0.000 0.224 693 S C 1.202 175.839 174.600 0.061 0.000 1.035 693 S CA 1.341 59.582 58.200 0.069 0.000 1.018 693 S CB -0.809 62.410 63.200 0.033 0.000 0.876 693 S HN 0.695 nan 8.310 nan 0.000 0.448 694 E N 0.216 120.421 120.200 0.010 0.000 2.467 694 E HA 0.045 4.379 4.350 -0.027 0.000 0.321 694 E C -1.169 175.345 176.600 -0.144 0.000 1.388 694 E CA -0.221 56.143 56.400 -0.061 0.000 1.508 694 E CB -0.408 29.231 29.700 -0.102 0.000 1.250 694 E HN 0.483 nan 8.360 nan 0.000 0.500 695 Y N 1.255 121.539 120.300 -0.025 0.000 2.535 695 Y HA 0.178 4.712 4.550 -0.027 0.000 0.351 695 Y C 0.135 176.015 175.900 -0.033 0.000 1.050 695 Y CA -0.702 57.378 58.100 -0.033 0.000 1.168 695 Y CB 1.270 39.699 38.460 -0.052 0.000 1.116 695 Y HN 0.274 nan 8.280 nan 0.000 0.654 696 Q N 0.626 120.493 119.800 0.111 0.000 2.188 696 Q HA 0.232 4.555 4.340 -0.027 0.000 0.212 696 Q C 1.917 177.952 176.000 0.059 0.000 0.846 696 Q CA 0.111 55.957 55.803 0.073 0.000 0.989 696 Q CB 0.062 28.820 28.738 0.034 0.000 1.114 696 Q HN 0.618 nan 8.270 nan 0.000 0.488 697 R N 0.909 121.462 120.500 0.087 0.000 2.081 697 R HA -0.098 4.226 4.340 -0.027 0.000 0.235 697 R C 0.088 176.414 176.300 0.042 0.000 1.131 697 R CA 1.690 57.828 56.100 0.062 0.000 0.960 697 R CB 0.229 30.581 30.300 0.088 0.000 0.856 697 R HN 0.473 nan 8.270 nan 0.000 0.436 698 N N -2.853 115.874 118.700 0.045 0.000 3.717 698 N HA -0.153 4.571 4.740 -0.027 0.000 0.249 698 N C -1.594 173.894 175.510 -0.036 0.000 1.221 698 N CA -0.004 53.045 53.050 -0.001 0.000 0.677 698 N CB 0.214 38.697 38.487 -0.007 0.000 1.642 698 N HN -0.054 nan 8.380 nan 0.000 0.332 699 V N -0.177 119.687 119.914 -0.084 0.000 2.350 699 V HA 0.734 4.838 4.120 -0.027 0.000 0.276 699 V C -2.494 173.509 176.094 -0.151 0.000 1.028 699 V CA -1.181 61.023 62.300 -0.160 0.000 0.860 699 V CB 0.644 32.354 31.823 -0.188 0.000 0.990 699 V HN 0.663 nan 8.190 nan 0.000 0.453 700 P HA 0.388 nan 4.420 nan 0.000 0.274 700 P C -2.281 174.926 177.300 -0.156 0.000 1.237 700 P CA -1.617 61.445 63.100 -0.063 0.000 0.793 700 P CB 0.609 32.347 31.700 0.064 0.000 0.977 701 P HA -0.207 nan 4.420 nan 0.000 0.215 701 P C 1.380 178.315 177.300 -0.609 0.000 1.153 701 P CA 1.616 64.474 63.100 -0.403 0.000 0.853 701 P CB -0.385 31.129 31.700 -0.310 0.000 0.788 702 H N -1.110 117.505 119.070 -0.758 0.000 2.395 702 H HA 0.002 4.542 4.556 -0.027 0.000 0.299 702 H C 1.951 176.934 175.328 -0.574 0.000 1.070 702 H CA 0.891 56.384 56.048 -0.926 0.000 1.356 702 H CB -1.345 28.158 29.762 -0.431 0.000 1.401 702 H HN -0.055 nan 8.280 nan 0.000 0.524 703 V N 2.819 122.250 119.914 -0.805 0.000 2.287 703 V HA -0.305 3.799 4.120 -0.027 0.000 0.248 703 V C 2.937 178.725 176.094 -0.512 0.000 1.053 703 V CA 2.577 64.406 62.300 -0.785 0.000 1.027 703 V CB -0.421 30.861 31.823 -0.900 0.000 0.646 703 V HN 0.629 nan 8.190 nan 0.000 0.447 704 R N 0.773 121.006 120.500 -0.444 0.000 2.081 704 R HA -0.048 4.276 4.340 -0.027 0.000 0.235 704 R C 2.302 178.414 176.300 -0.314 0.000 1.131 704 R CA 1.578 57.475 56.100 -0.339 0.000 0.960 704 R CB -1.133 28.980 30.300 -0.313 0.000 0.856 704 R HN 0.465 nan 8.270 nan 0.000 0.436 705 A N 1.992 124.572 122.820 -0.401 0.000 1.917 705 A HA -0.120 4.184 4.320 -0.027 0.000 0.219 705 A C 2.578 180.017 177.584 -0.242 0.000 1.182 705 A CA 1.902 53.760 52.037 -0.298 0.000 0.633 705 A CB -0.769 18.026 19.000 -0.342 0.000 0.819 705 A HN 0.535 nan 8.150 nan 0.000 0.448 706 A N -0.398 122.209 122.820 -0.355 0.000 1.902 706 A HA -0.163 4.140 4.320 -0.027 0.000 0.217 706 A C 2.269 179.795 177.584 -0.097 0.000 1.181 706 A CA 1.486 53.305 52.037 -0.362 0.000 0.623 706 A CB -0.462 18.282 19.000 -0.426 0.000 0.818 706 A HN 0.545 nan 8.150 nan 0.000 0.443 707 R N -0.573 119.843 120.500 -0.140 0.000 2.092 707 R HA 0.019 4.342 4.340 -0.027 0.000 0.231 707 R C 2.056 178.337 176.300 -0.032 0.000 1.119 707 R CA 1.059 57.117 56.100 -0.070 0.000 0.970 707 R CB -0.499 29.731 30.300 -0.117 0.000 0.864 707 R HN 0.471 nan 8.270 nan 0.000 0.440 708 L N 0.283 121.470 121.223 -0.060 0.000 2.012 708 L HA -0.186 4.138 4.340 -0.027 0.000 0.210 708 L C 2.654 179.547 176.870 0.039 0.000 1.073 708 L CA 1.635 56.456 54.840 -0.032 0.000 0.748 708 L CB -0.799 41.234 42.059 -0.043 0.000 0.891 708 L HN 0.245 nan 8.230 nan 0.000 0.431 709 A N -0.335 122.564 122.820 0.130 0.000 1.902 709 A HA -0.244 4.060 4.320 -0.027 0.000 0.217 709 A C 1.909 179.649 177.584 0.260 0.000 1.181 709 A CA 2.026 54.254 52.037 0.318 0.000 0.623 709 A CB -0.544 18.741 19.000 0.476 0.000 0.818 709 A HN 0.339 nan 8.150 nan 0.000 0.443 710 D N -0.207 120.322 120.400 0.215 0.000 2.144 710 D HA -0.135 4.489 4.640 -0.027 0.000 0.200 710 D C 2.159 178.488 176.300 0.047 0.000 0.978 710 D CA 1.423 55.503 54.000 0.133 0.000 0.833 710 D CB -0.253 40.621 40.800 0.122 0.000 0.961 710 D HN 0.804 nan 8.370 nan 0.000 0.470 711 E N 0.633 120.842 120.200 0.015 0.000 2.051 711 E HA -0.210 4.124 4.350 -0.027 0.000 0.192 711 E C 1.819 178.383 176.600 -0.061 0.000 0.991 711 E CA 0.794 57.179 56.400 -0.025 0.000 0.799 711 E CB -0.314 29.362 29.700 -0.040 0.000 0.748 711 E HN 0.101 nan 8.360 nan 0.000 0.449 712 E N 1.129 121.264 120.200 -0.108 0.000 2.097 712 E HA -0.185 4.149 4.350 -0.027 0.000 0.196 712 E C 1.898 178.371 176.600 -0.212 0.000 1.000 712 E CA 0.909 57.148 56.400 -0.269 0.000 0.804 712 E CB -0.282 29.092 29.700 -0.544 0.000 0.740 712 E HN 0.266 nan 8.360 nan 0.000 0.454 713 N N 0.821 119.499 118.700 -0.036 0.000 2.149 713 N HA -0.206 4.517 4.740 -0.027 0.000 0.188 713 N C 1.842 177.352 175.510 0.000 0.000 1.019 713 N CA 1.425 54.510 53.050 0.057 0.000 0.857 713 N CB -0.373 38.171 38.487 0.094 0.000 0.997 713 N HN 0.287 nan 8.380 nan 0.000 0.426 714 Q N 1.596 121.385 119.800 -0.018 0.000 2.030 714 Q HA -0.135 4.189 4.340 -0.027 0.000 0.204 714 Q C 1.622 177.604 176.000 -0.031 0.000 0.986 714 Q CA 1.905 57.695 55.803 -0.021 0.000 0.843 714 Q CB -0.116 28.608 28.738 -0.024 0.000 0.904 714 Q HN 0.244 nan 8.270 nan 0.000 0.420 715 K N -0.037 120.331 120.400 -0.053 0.000 2.063 715 K HA -0.122 4.182 4.320 -0.027 0.000 0.208 715 K C 2.161 178.736 176.600 -0.041 0.000 1.048 715 K CA 1.609 57.864 56.287 -0.053 0.000 0.928 715 K CB -0.222 32.232 32.500 -0.077 0.000 0.713 715 K HN 0.233 nan 8.250 nan 0.000 0.442 716 R N 0.263 120.736 120.500 -0.045 0.000 2.339 716 R HA -0.008 4.316 4.340 -0.027 0.000 0.199 716 R C 0.810 177.108 176.300 -0.003 0.000 1.018 716 R CA 0.596 56.685 56.100 -0.017 0.000 1.036 716 R CB -0.205 30.096 30.300 0.002 0.000 0.899 716 R HN 0.421 nan 8.270 nan 0.000 0.473 717 G N 2.583 111.378 108.800 -0.008 0.000 2.305 717 G HA2 -0.334 3.610 3.960 -0.027 0.000 0.287 717 G HA3 -0.334 3.610 3.960 -0.027 0.000 0.287 717 G C -0.237 174.665 174.900 0.003 0.000 1.036 717 G CA 0.458 45.556 45.100 -0.004 0.000 0.887 717 G HN 0.410 nan 8.290 nan 0.000 0.505 718 R N -0.394 120.112 120.500 0.009 0.000 2.778 718 R HA 0.679 5.003 4.340 -0.027 0.000 0.277 718 R C -2.554 173.746 176.300 -0.001 0.000 0.977 718 R CA -2.292 53.814 56.100 0.009 0.000 0.950 718 R CB 1.530 31.845 30.300 0.025 0.000 1.165 718 R HN 0.123 nan 8.270 nan 0.000 0.474 719 P HA -0.064 nan 4.420 nan 0.000 0.264 719 P C -0.638 176.631 177.300 -0.052 0.000 1.179 719 P CA -0.121 62.959 63.100 -0.033 0.000 0.763 719 P CB 0.412 32.087 31.700 -0.042 0.000 0.806 720 L N 3.189 124.378 121.223 -0.057 0.000 2.331 720 L HA 0.161 4.485 4.340 -0.027 0.000 0.278 720 L C 1.768 178.545 176.870 -0.155 0.000 1.106 720 L CA 0.478 55.269 54.840 -0.081 0.000 0.824 720 L CB -0.071 41.968 42.059 -0.034 0.000 1.142 720 L HN 0.503 nan 8.230 nan 0.000 0.443 721 Q N 1.599 121.194 119.800 -0.341 0.000 2.217 721 Q HA 0.113 4.437 4.340 -0.027 0.000 0.217 721 Q C -0.205 175.503 176.000 -0.487 0.000 0.844 721 Q CA 0.253 55.785 55.803 -0.452 0.000 0.957 721 Q CB 0.247 28.631 28.738 -0.590 0.000 1.127 721 Q HN 0.588 nan 8.270 nan 0.000 0.503 722 Y N 0.590 120.906 120.300 0.025 0.000 2.612 722 Y HA 0.280 4.814 4.550 -0.027 0.000 0.250 722 Y C 1.724 177.636 175.900 0.020 0.000 1.175 722 Y CA -0.590 57.523 58.100 0.023 0.000 1.205 722 Y CB 0.632 39.097 38.460 0.009 0.000 1.201 722 Y HN -0.024 nan 8.280 nan 0.000 0.532 723 Q N 1.287 121.141 119.800 0.090 0.000 2.061 723 Q HA -0.109 4.215 4.340 -0.027 0.000 0.204 723 Q C -0.138 175.913 176.000 0.084 0.000 0.984 723 Q CA 1.397 57.245 55.803 0.075 0.000 0.846 723 Q CB -0.271 28.486 28.738 0.031 0.000 0.902 723 Q HN 0.540 nan 8.270 nan 0.000 0.421 724 N N 0.317 119.062 118.700 0.075 0.000 2.617 724 N HA 0.334 5.058 4.740 -0.027 0.000 0.263 724 N C -1.303 174.259 175.510 0.087 0.000 1.074 724 N CA -0.379 52.715 53.050 0.072 0.000 0.841 724 N CB 1.543 40.055 38.487 0.043 0.000 1.221 724 N HN -0.012 nan 8.380 nan 0.000 0.529 725 R N 0.482 121.050 120.500 0.114 0.000 1.270 725 R HA -0.174 4.149 4.340 -0.027 0.000 0.409 725 R C -0.239 176.146 176.300 0.142 0.000 1.343 725 R CA 1.128 57.303 56.100 0.124 0.000 1.285 725 R CB -0.503 29.853 30.300 0.093 0.000 3.625 725 R HN 0.839 nan 8.270 nan 0.000 0.485 726 G N 0.718 109.621 108.800 0.172 0.000 2.427 726 G HA2 0.508 4.452 3.960 -0.027 0.000 0.306 726 G HA3 0.508 4.452 3.960 -0.027 0.000 0.306 726 G C -1.489 173.534 174.900 0.206 0.000 1.280 726 G CA -0.279 44.941 45.100 0.200 0.000 0.837 726 G HN 0.471 nan 8.290 nan 0.000 0.482 727 T N 1.384 116.072 114.554 0.224 0.000 2.807 727 T HA 0.647 4.981 4.350 -0.027 0.000 0.279 727 T C -0.116 174.706 174.700 0.203 0.000 0.993 727 T CA -0.303 61.912 62.100 0.192 0.000 0.970 727 T CB 1.115 70.079 68.868 0.160 0.000 0.950 727 T HN 0.526 nan 8.240 nan 0.000 0.441 728 I N 2.031 122.679 120.570 0.130 0.000 2.530 728 I HA 0.555 4.709 4.170 -0.027 0.000 0.297 728 I C -0.271 175.919 176.117 0.123 0.000 1.011 728 I CA -1.134 60.178 61.300 0.019 0.000 1.107 728 I CB 2.055 40.004 38.000 -0.085 0.000 1.285 728 I HN 0.398 nan 8.210 nan 0.000 0.436 729 K N 5.432 125.890 120.400 0.095 0.000 2.358 729 K HA 0.578 4.882 4.320 -0.027 0.000 0.260 729 K C -1.140 175.529 176.600 0.114 0.000 0.956 729 K CA -0.418 55.901 56.287 0.055 0.000 0.834 729 K CB 1.874 34.392 32.500 0.031 0.000 1.102 729 K HN 0.552 nan 8.250 nan 0.000 0.431 730 Y N -0.810 119.538 120.300 0.079 0.000 2.965 730 Y HA 0.849 5.382 4.550 -0.027 0.000 0.310 730 Y C -0.894 175.127 175.900 0.202 0.000 1.480 730 Y CA -1.246 56.902 58.100 0.079 0.000 1.094 730 Y CB 0.879 39.343 38.460 0.007 0.000 1.377 730 Y HN 0.154 nan 8.280 nan 0.000 0.514 731 V N -0.786 119.416 119.914 0.479 0.000 3.258 731 V HA 0.176 4.279 4.120 -0.027 0.000 0.299 731 V C -1.735 174.688 176.094 0.547 0.000 1.376 731 V CA -1.115 61.492 62.300 0.511 0.000 1.063 731 V CB 2.600 34.617 31.823 0.325 0.000 1.103 731 V HN 0.872 nan 8.190 nan 0.000 0.451 732 W N 1.432 123.014 121.300 0.471 0.000 2.391 732 W HA 0.705 5.349 4.660 -0.027 0.000 0.311 732 W C -0.473 176.203 176.519 0.262 0.000 1.087 732 W CA 0.128 57.691 57.345 0.365 0.000 1.209 732 W CB 1.836 31.738 29.460 0.737 0.000 1.273 732 W HN 0.609 nan 8.180 nan 0.000 0.482 733 T N 2.577 117.197 114.554 0.110 0.000 2.907 733 T HA 0.137 4.471 4.350 -0.027 0.000 0.290 733 T C 1.105 175.867 174.700 0.103 0.000 1.066 733 T CA -0.408 61.755 62.100 0.104 0.000 1.012 733 T CB 2.106 70.971 68.868 -0.006 0.000 1.184 733 T HN 0.272 nan 8.240 nan 0.000 0.522 734 T N 2.060 116.663 114.554 0.081 0.000 2.720 734 T HA -0.134 4.200 4.350 -0.027 0.000 0.268 734 T C 1.750 176.466 174.700 0.026 0.000 1.037 734 T CA 1.926 64.070 62.100 0.074 0.000 1.144 734 T CB -0.390 68.505 68.868 0.045 0.000 0.864 734 T HN 0.572 nan 8.240 nan 0.000 0.444 735 N N 0.535 119.220 118.700 -0.025 0.000 2.188 735 N HA 0.232 4.956 4.740 -0.027 0.000 0.184 735 N C 1.171 176.607 175.510 -0.123 0.000 1.018 735 N CA 1.066 54.079 53.050 -0.062 0.000 0.858 735 N CB -0.206 38.235 38.487 -0.076 0.000 0.989 735 N HN 0.573 nan 8.380 nan 0.000 0.426 736 G N -1.354 107.320 108.800 -0.211 0.000 2.366 736 G HA2 0.051 3.995 3.960 -0.027 0.000 0.190 736 G HA3 0.051 3.995 3.960 -0.027 0.000 0.190 736 G C -3.090 171.334 174.900 -0.793 0.000 1.299 736 G CA -0.903 43.872 45.100 -0.542 0.000 1.056 736 G HN -0.008 nan 8.290 nan 0.000 0.468 737 P HA 0.475 nan 4.420 nan 0.000 0.276 737 P C -0.916 176.178 177.300 -0.344 0.000 1.230 737 P CA 0.302 62.956 63.100 -0.743 0.000 0.776 737 P CB 1.068 32.192 31.700 -0.961 0.000 0.888 738 E N 3.236 123.373 120.200 -0.105 0.000 2.335 738 E HA 0.266 4.600 4.350 -0.027 0.000 0.280 738 E C -2.658 173.995 176.600 0.088 0.000 0.918 738 E CA -2.416 53.965 56.400 -0.033 0.000 0.765 738 E CB 2.082 31.772 29.700 -0.016 0.000 1.218 738 E HN 0.345 nan 8.360 nan 0.000 0.425 739 P HA -0.057 nan 4.420 nan 0.000 0.267 739 P C 0.481 177.840 177.300 0.098 0.000 1.200 739 P CA -0.182 62.983 63.100 0.108 0.000 0.772 739 P CB 1.194 32.953 31.700 0.098 0.000 0.855 740 L N 2.839 124.107 121.223 0.074 0.000 2.056 740 L HA -0.140 4.184 4.340 -0.027 0.000 0.207 740 L C 1.992 178.847 176.870 -0.025 0.000 1.078 740 L CA 1.953 56.815 54.840 0.036 0.000 0.749 740 L CB -1.061 41.012 42.059 0.024 0.000 0.901 740 L HN 0.298 nan 8.230 nan 0.000 0.433 741 D N -1.144 119.186 120.400 -0.116 0.000 2.133 741 D HA -0.222 4.402 4.640 -0.027 0.000 0.195 741 D C 0.008 176.098 176.300 -0.350 0.000 0.997 741 D CA 1.427 55.238 54.000 -0.315 0.000 0.840 741 D CB -0.260 40.206 40.800 -0.557 0.000 0.947 741 D HN 0.275 nan 8.370 nan 0.000 0.452 742 Y N 0.307 120.639 120.300 0.053 0.000 2.328 742 Y HA 0.464 4.998 4.550 -0.027 0.000 0.336 742 Y C 0.330 176.246 175.900 0.026 0.000 0.960 742 Y CA -0.810 57.310 58.100 0.034 0.000 1.134 742 Y CB 1.378 39.857 38.460 0.032 0.000 1.166 742 Y HN -0.239 nan 8.280 nan 0.000 0.464 743 Q N 2.646 122.550 119.800 0.173 0.000 2.397 743 Q HA 0.608 4.932 4.340 -0.027 0.000 0.275 743 Q C -1.068 174.973 176.000 0.070 0.000 1.090 743 Q CA -1.038 54.825 55.803 0.101 0.000 0.809 743 Q CB 1.702 30.483 28.738 0.071 0.000 1.362 743 Q HN 0.741 nan 8.270 nan 0.000 0.431 744 R N 2.064 122.590 120.500 0.044 0.000 2.585 744 R HA 0.320 4.644 4.340 -0.027 0.000 0.278 744 R C -0.484 175.825 176.300 0.016 0.000 1.663 744 R CA 0.045 56.160 56.100 0.024 0.000 1.592 744 R CB 0.940 31.245 30.300 0.009 0.000 1.200 744 R HN 0.960 nan 8.270 nan 0.000 0.611 745 S N 1.209 116.922 115.700 0.021 0.000 3.961 745 S HA -0.160 4.294 4.470 -0.027 0.000 0.627 745 S C -2.453 172.153 174.600 0.011 0.000 2.148 745 S CA 0.207 58.417 58.200 0.016 0.000 4.099 745 S CB -1.879 61.329 63.200 0.014 0.000 0.219 745 S HN 0.619 nan 8.310 nan 0.000 0.744 746 P HA 0.171 nan 4.420 nan 0.000 0.257 746 P C -0.582 176.722 177.300 0.007 0.000 1.153 746 P CA 0.793 63.891 63.100 -0.003 0.000 0.762 746 P CB -0.736 30.970 31.700 0.010 0.000 0.743 747 L N 1.979 123.178 121.223 -0.042 0.000 2.356 747 L HA 0.625 4.949 4.340 -0.027 0.000 0.277 747 L C -0.313 176.487 176.870 -0.117 0.000 0.996 747 L CA -0.977 53.888 54.840 0.042 0.000 0.822 747 L CB 2.475 44.559 42.059 0.042 0.000 1.256 747 L HN 0.251 nan 8.230 nan 0.000 0.413 748 D N 2.280 122.745 120.400 0.109 0.000 2.329 748 D HA 0.147 4.771 4.640 -0.027 0.000 0.232 748 D C 0.197 176.566 176.300 0.114 0.000 1.088 748 D CA -0.526 53.488 54.000 0.023 0.000 0.835 748 D CB 1.569 42.457 40.800 0.146 0.000 1.078 748 D HN 0.599 nan 8.370 nan 0.000 0.495 749 Y N 1.103 121.528 120.300 0.207 0.000 2.403 749 Y HA -0.187 4.347 4.550 -0.027 0.000 0.291 749 Y C 2.463 178.433 175.900 0.117 0.000 1.143 749 Y CA 1.127 59.323 58.100 0.160 0.000 1.257 749 Y CB -0.425 38.059 38.460 0.039 0.000 0.984 749 Y HN 0.527 nan 8.280 nan 0.000 0.550 750 E N 0.385 120.729 120.200 0.241 0.000 2.070 750 E HA -0.331 4.003 4.350 -0.027 0.000 0.197 750 E C 2.067 178.736 176.600 0.116 0.000 1.004 750 E CA 2.104 58.589 56.400 0.142 0.000 0.805 750 E CB -0.598 29.165 29.700 0.105 0.000 0.744 750 E HN 0.560 nan 8.360 nan 0.000 0.451 751 H N -0.811 118.244 119.070 -0.025 0.000 2.353 751 H HA -0.125 4.414 4.556 -0.027 0.000 0.300 751 H C 1.596 176.795 175.328 -0.216 0.000 1.090 751 H CA 2.138 58.038 56.048 -0.247 0.000 1.327 751 H CB -0.812 28.688 29.762 -0.437 0.000 1.383 751 H HN 0.346 nan 8.280 nan 0.000 0.508 752 Y N -0.235 119.900 120.300 -0.275 0.000 2.220 752 Y HA -0.087 4.447 4.550 -0.027 0.000 0.291 752 Y C 2.608 178.424 175.900 -0.140 0.000 1.129 752 Y CA 1.228 59.135 58.100 -0.322 0.000 1.161 752 Y CB -0.437 37.906 38.460 -0.195 0.000 0.997 752 Y HN 0.315 nan 8.280 nan 0.000 0.522 753 L N -0.406 120.876 121.223 0.098 0.000 1.994 753 L HA -0.153 4.171 4.340 -0.027 0.000 0.208 753 L C 2.373 179.236 176.870 -0.012 0.000 1.071 753 L CA 2.747 57.590 54.840 0.006 0.000 0.745 753 L CB -1.647 40.416 42.059 0.007 0.000 0.892 753 L HN 0.275 nan 8.230 nan 0.000 0.431 754 T N -1.848 112.710 114.554 0.006 0.000 2.904 754 T HA -0.150 4.184 4.350 -0.027 0.000 0.267 754 T C 2.112 176.813 174.700 0.001 0.000 1.059 754 T CA 1.175 63.274 62.100 -0.002 0.000 1.137 754 T CB -0.288 68.575 68.868 -0.010 0.000 0.879 754 T HN 0.358 nan 8.240 nan 0.000 0.467 755 R N 0.420 120.917 120.500 -0.005 0.000 2.093 755 R HA 0.208 4.532 4.340 -0.027 0.000 0.224 755 R C 2.472 178.785 176.300 0.023 0.000 1.101 755 R CA 1.479 57.569 56.100 -0.017 0.000 0.979 755 R CB -0.374 29.944 30.300 0.031 0.000 0.877 755 R HN 0.461 nan 8.270 nan 0.000 0.441 756 Q N -1.172 118.654 119.800 0.044 0.000 2.499 756 Q HA 0.126 4.450 4.340 -0.027 0.000 0.213 756 Q C 1.891 178.005 176.000 0.190 0.000 0.929 756 Q CA 0.456 56.383 55.803 0.206 0.000 0.904 756 Q CB 0.019 28.842 28.738 0.142 0.000 1.052 756 Q HN 0.160 nan 8.270 nan 0.000 0.589 757 L N 1.225 122.440 121.223 -0.013 0.000 2.109 757 L HA -0.107 4.217 4.340 -0.027 0.000 0.207 757 L C 2.030 178.872 176.870 -0.047 0.000 1.086 757 L CA 1.536 56.253 54.840 -0.205 0.000 0.760 757 L CB -0.293 41.457 42.059 -0.514 0.000 0.910 757 L HN 0.135 nan 8.230 nan 0.000 0.437 758 Q N -1.156 118.643 119.800 -0.002 0.000 2.365 758 Q HA 0.066 4.390 4.340 -0.027 0.000 0.203 758 Q C -1.024 175.019 176.000 0.070 0.000 0.929 758 Q CA 0.023 55.848 55.803 0.036 0.000 0.948 758 Q CB 0.051 28.791 28.738 0.004 0.000 1.043 758 Q HN 0.441 nan 8.270 nan 0.000 0.505 759 P HA 0.037 nan 4.420 nan 0.000 0.225 759 P C 1.602 178.966 177.300 0.106 0.000 1.142 759 P CA 0.109 63.284 63.100 0.125 0.000 0.894 759 P CB 0.525 32.362 31.700 0.229 0.000 0.895 760 V N 0.702 120.699 119.914 0.139 0.000 2.343 760 V HA -0.251 3.853 4.120 -0.027 0.000 0.247 760 V C 2.332 178.497 176.094 0.118 0.000 1.051 760 V CA 2.540 64.904 62.300 0.106 0.000 1.036 760 V CB -1.394 30.571 31.823 0.236 0.000 0.654 760 V HN 0.059 nan 8.190 nan 0.000 0.451 761 A N -1.343 121.584 122.820 0.178 0.000 1.930 761 A HA -0.186 4.117 4.320 -0.027 0.000 0.217 761 A C 2.253 179.825 177.584 -0.020 0.000 1.175 761 A CA 1.450 53.536 52.037 0.081 0.000 0.627 761 A CB -0.438 18.664 19.000 0.169 0.000 0.815 761 A HN 0.518 nan 8.150 nan 0.000 0.443 762 E N -0.278 119.922 120.200 -0.001 0.000 2.118 762 E HA -0.176 4.158 4.350 -0.027 0.000 0.195 762 E C 2.126 178.665 176.600 -0.101 0.000 0.992 762 E CA 1.237 57.605 56.400 -0.053 0.000 0.804 762 E CB -0.366 29.320 29.700 -0.022 0.000 0.741 762 E HN 0.573 nan 8.360 nan 0.000 0.458 763 G N 1.024 109.792 108.800 -0.053 0.000 2.402 763 G HA2 -0.210 3.734 3.960 -0.027 0.000 0.216 763 G HA3 -0.210 3.734 3.960 -0.027 0.000 0.216 763 G C 1.572 176.436 174.900 -0.059 0.000 1.162 763 G CA 0.468 45.542 45.100 -0.042 0.000 0.777 763 G HN 0.317 nan 8.290 nan 0.000 0.539 764 I N -0.799 119.691 120.570 -0.133 0.000 3.708 764 I HA 0.216 4.369 4.170 -0.027 0.000 0.302 764 I C 1.984 177.962 176.117 -0.232 0.000 1.255 764 I CA 0.044 61.216 61.300 -0.214 0.000 1.362 764 I CB 0.281 37.905 38.000 -0.628 0.000 1.100 764 I HN 0.016 nan 8.210 nan 0.000 0.434 765 L N 2.196 123.258 121.223 -0.268 0.000 2.109 765 L HA 0.041 4.365 4.340 -0.027 0.000 0.207 765 L C -0.629 176.096 176.870 -0.242 0.000 1.086 765 L CA 1.970 56.649 54.840 -0.270 0.000 0.760 765 L CB -1.986 39.947 42.059 -0.209 0.000 0.910 765 L HN 0.075 nan 8.230 nan 0.000 0.437 766 P HA -0.193 nan 4.420 nan 0.000 0.216 766 P C 1.607 178.683 177.300 -0.373 0.000 1.150 766 P CA 1.520 64.377 63.100 -0.404 0.000 0.843 766 P CB -0.088 31.256 31.700 -0.593 0.000 0.787 767 F N -0.207 119.659 119.950 -0.140 0.000 2.102 767 F HA -0.150 4.361 4.527 -0.027 0.000 0.298 767 F C 2.362 178.089 175.800 -0.122 0.000 1.105 767 F CA 1.129 59.043 58.000 -0.143 0.000 1.239 767 F CB -1.633 37.252 39.000 -0.192 0.000 0.991 767 F HN -0.100 nan 8.300 nan 0.000 0.474 768 I N -2.375 118.226 120.570 0.052 0.000 2.394 768 I HA -0.006 4.148 4.170 -0.027 0.000 0.251 768 I C 0.135 176.259 176.117 0.011 0.000 1.136 768 I CA 1.238 62.548 61.300 0.017 0.000 1.425 768 I CB -0.335 37.663 38.000 -0.004 0.000 1.079 768 I HN 0.254 nan 8.210 nan 0.000 0.425 769 E N 0.000 120.189 120.200 -0.018 0.000 2.725 769 E HA 0.000 4.334 4.350 -0.027 0.000 0.291 769 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 769 E CB 0.000 29.706 29.700 0.009 0.000 0.812 769 E HN 0.000 nan 8.360 nan 0.000 0.440