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 3nbx_1_X DATA FIRST_RESID 3 DATA SEQUENCE HPHLLAERIS RLSSSLEKGL YERSHAIRLC LLAALSGESV FLLGPPGIAK DATA SEQUENCE SLIARRLKFA FQNARAFEYL MTRFSTPEEV FGPLSXXXXX XXXXXERLTS DATA SEQUENCE GYLPEAEIVF LDEIWKAGPA ILNTLLTAIN ERQFRNGAHV EKIPMRLLVA DATA SEQUENCE ASNELPEADS SLEALYDRML IRLWLDKVQD KANFRSMLTS QQDENDNPVP DATA SEQUENCE DALQVTDEEY ERWQKEIGEI TLPDHVFELI FMLRQQLDKL PDAPYVSDRR DATA SEQUENCE WKKAIRLLQA SAFFSGRSAV APVDLILLKD CLWYDAQSLN LIQQQIDVLM DATA SEQUENCE TGHAWQQQGM LTRLGAIVQR HLQLQQQQSD KTALTVIRLG GIFSRRQQYQ DATA SEQUENCE LPVNVTASTL TLLLQKPLKL HDMEVVHISF ERSALEQWLS KGGEIRGKLN DATA SEQUENCE GIGFAQKLNL EVDSAQHLVV RDVSLQGSTL ALPGSXXXXL PGEIKQQLEE DATA SEQUENCE LESDWRKQHA LFSEQQKCLF IPGDWLGRIE ASLQDVGAQI RQAQQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.196 175.328 -0.221 0.000 0.993 3 H CA 0.000 56.021 56.048 -0.045 0.000 1.023 3 H CB 0.000 29.757 29.762 -0.009 0.000 1.292 4 P HA 0.020 nan 4.420 nan 0.000 0.242 4 P C 0.515 177.483 177.300 -0.553 0.000 1.197 4 P CA 1.294 64.077 63.100 -0.528 0.000 0.765 4 P CB -0.289 31.065 31.700 -0.576 0.000 0.936 5 H N -2.022 116.992 119.070 -0.093 0.000 2.582 5 H HA 0.207 4.764 4.556 0.002 0.000 0.269 5 H C 1.686 176.969 175.328 -0.075 0.000 0.962 5 H CA 0.151 56.142 56.048 -0.094 0.000 1.230 5 H CB -0.536 29.169 29.762 -0.095 0.000 1.445 5 H HN 0.016 nan 8.280 nan 0.000 0.528 6 L N 0.160 121.389 121.223 0.011 0.000 2.217 6 L HA -0.076 4.265 4.340 0.002 0.000 0.211 6 L C 2.031 178.894 176.870 -0.011 0.000 1.107 6 L CA 0.354 55.201 54.840 0.013 0.000 0.783 6 L CB -0.073 42.012 42.059 0.043 0.000 0.919 6 L HN 0.247 nan 8.230 nan 0.000 0.442 7 L N 0.346 121.529 121.223 -0.067 0.000 1.994 7 L HA -0.134 4.207 4.340 0.002 0.000 0.208 7 L C 2.674 179.491 176.870 -0.089 0.000 1.071 7 L CA 2.050 56.831 54.840 -0.099 0.000 0.745 7 L CB -0.689 41.212 42.059 -0.264 0.000 0.892 7 L HN 0.135 nan 8.230 nan 0.000 0.431 8 A N -0.623 122.135 122.820 -0.103 0.000 1.940 8 A HA -0.297 4.024 4.320 0.002 0.000 0.219 8 A C 2.225 179.773 177.584 -0.059 0.000 1.176 8 A CA 1.921 53.917 52.037 -0.067 0.000 0.631 8 A CB -0.797 18.168 19.000 -0.058 0.000 0.814 8 A HN 0.656 nan 8.150 nan 0.000 0.446 9 E N 0.102 120.277 120.200 -0.041 0.000 2.051 9 E HA -0.214 4.137 4.350 0.002 0.000 0.192 9 E C 2.206 178.788 176.600 -0.029 0.000 0.991 9 E CA 1.669 58.050 56.400 -0.033 0.000 0.799 9 E CB -0.280 29.411 29.700 -0.016 0.000 0.748 9 E HN 0.571 nan 8.360 nan 0.000 0.449 10 R N 0.164 120.656 120.500 -0.014 0.000 2.066 10 R HA -0.092 4.249 4.340 0.002 0.000 0.232 10 R C 2.144 178.435 176.300 -0.015 0.000 1.131 10 R CA 1.524 57.626 56.100 0.004 0.000 0.955 10 R CB -0.293 30.036 30.300 0.048 0.000 0.851 10 R HN 0.268 nan 8.270 nan 0.000 0.432 11 I N 0.866 121.414 120.570 -0.035 0.000 2.208 11 I HA -0.248 3.923 4.170 0.002 0.000 0.245 11 I C 2.487 178.554 176.117 -0.083 0.000 1.097 11 I CA 1.288 62.548 61.300 -0.066 0.000 1.363 11 I CB -1.439 36.522 38.000 -0.065 0.000 1.051 11 I HN 0.235 nan 8.210 nan 0.000 0.413 12 S N 0.354 115.995 115.700 -0.097 0.000 2.359 12 S HA -0.172 4.299 4.470 0.002 0.000 0.224 12 S C 2.186 176.739 174.600 -0.078 0.000 1.035 12 S CA 1.267 59.399 58.200 -0.114 0.000 1.018 12 S CB -0.072 63.060 63.200 -0.112 0.000 0.876 12 S HN 0.352 nan 8.310 nan 0.000 0.448 13 R N 0.060 120.527 120.500 -0.055 0.000 2.096 13 R HA -0.064 4.277 4.340 0.002 0.000 0.235 13 R C 2.327 178.604 176.300 -0.039 0.000 1.127 13 R CA 1.379 57.454 56.100 -0.041 0.000 0.968 13 R CB -0.587 29.697 30.300 -0.027 0.000 0.861 13 R HN 0.382 nan 8.270 nan 0.000 0.440 14 L N 0.516 121.716 121.223 -0.038 0.000 1.994 14 L HA -0.169 4.172 4.340 0.002 0.000 0.208 14 L C 2.366 179.209 176.870 -0.045 0.000 1.071 14 L CA 2.041 56.858 54.840 -0.039 0.000 0.745 14 L CB -0.832 41.201 42.059 -0.043 0.000 0.892 14 L HN 0.012 nan 8.230 nan 0.000 0.431 15 S N -1.550 114.118 115.700 -0.053 0.000 2.370 15 S HA -0.245 4.226 4.470 0.002 0.000 0.226 15 S C 2.295 176.866 174.600 -0.048 0.000 1.033 15 S CA 1.731 59.902 58.200 -0.048 0.000 1.011 15 S CB -0.669 62.494 63.200 -0.062 0.000 0.852 15 S HN 0.681 nan 8.310 nan 0.000 0.457 16 S N 0.839 116.506 115.700 -0.055 0.000 2.359 16 S HA -0.152 4.319 4.470 0.002 0.000 0.224 16 S C 2.211 176.779 174.600 -0.054 0.000 1.035 16 S CA 2.267 60.435 58.200 -0.054 0.000 1.018 16 S CB -0.830 62.339 63.200 -0.052 0.000 0.876 16 S HN 0.868 nan 8.310 nan 0.000 0.448 17 S N 1.193 116.864 115.700 -0.049 0.000 2.383 17 S HA 0.038 4.508 4.470 0.002 0.000 0.227 17 S C 1.892 176.462 174.600 -0.051 0.000 1.026 17 S CA 1.144 59.313 58.200 -0.052 0.000 0.981 17 S CB -0.827 62.345 63.200 -0.047 0.000 0.818 17 S HN 0.534 nan 8.310 nan 0.000 0.472 18 L N 1.120 122.322 121.223 -0.034 0.000 2.362 18 L HA 0.067 4.408 4.340 0.002 0.000 0.219 18 L C 2.831 179.684 176.870 -0.028 0.000 1.134 18 L CA 1.374 56.206 54.840 -0.013 0.000 0.807 18 L CB -0.370 41.691 42.059 0.003 0.000 0.927 18 L HN 0.450 nan 8.230 nan 0.000 0.447 19 E N 0.186 120.356 120.200 -0.050 0.000 2.385 19 E HA -0.041 4.310 4.350 0.002 0.000 0.194 19 E C 0.434 176.961 176.600 -0.121 0.000 1.013 19 E CA -0.125 56.231 56.400 -0.074 0.000 0.866 19 E CB 0.428 30.086 29.700 -0.070 0.000 0.832 19 E HN 0.276 nan 8.360 nan 0.000 0.500 20 K N -0.132 120.203 120.400 -0.109 0.000 2.491 20 K HA -0.017 4.304 4.320 0.002 0.000 0.279 20 K C 0.657 177.169 176.600 -0.147 0.000 1.026 20 K CA 0.885 57.095 56.287 -0.129 0.000 1.070 20 K CB 0.343 32.788 32.500 -0.092 0.000 0.887 20 K HN 0.325 nan 8.250 nan 0.000 0.481 21 G N 2.487 111.155 108.800 -0.219 0.000 2.179 21 G HA2 -0.271 3.690 3.960 0.002 0.000 0.260 21 G HA3 -0.271 3.690 3.960 0.002 0.000 0.260 21 G C -0.083 174.685 174.900 -0.220 0.000 0.977 21 G CA -0.197 44.809 45.100 -0.157 0.000 0.641 21 G HN 0.468 nan 8.290 nan 0.000 0.533 22 L N 0.235 121.241 121.223 -0.362 0.000 2.313 22 L HA 0.654 4.995 4.340 0.002 0.000 0.283 22 L C -0.419 176.216 176.870 -0.391 0.000 1.013 22 L CA -1.267 53.439 54.840 -0.224 0.000 0.816 22 L CB 1.299 43.301 42.059 -0.096 0.000 1.236 22 L HN 0.089 nan 8.230 nan 0.000 0.419 23 Y N 1.277 121.593 120.300 0.027 0.000 2.335 23 Y HA 0.248 4.799 4.550 0.002 0.000 0.338 23 Y C 0.468 176.400 175.900 0.052 0.000 0.977 23 Y CA -0.739 57.383 58.100 0.037 0.000 1.114 23 Y CB 1.457 39.939 38.460 0.036 0.000 1.182 23 Y HN 0.640 nan 8.280 nan 0.000 0.463 24 E N 1.323 121.623 120.200 0.166 0.000 2.694 24 E HA -0.238 4.113 4.350 0.002 0.000 0.272 24 E C 0.144 176.812 176.600 0.113 0.000 1.040 24 E CA 0.145 56.624 56.400 0.131 0.000 0.809 24 E CB -0.452 29.330 29.700 0.138 0.000 1.389 24 E HN 0.579 nan 8.360 nan 0.000 0.413 25 R N -1.146 119.406 120.500 0.086 0.000 2.566 25 R HA 0.129 4.470 4.340 0.002 0.000 0.388 25 R C 1.622 177.970 176.300 0.079 0.000 0.989 25 R CA 0.823 56.975 56.100 0.086 0.000 1.164 25 R CB 0.284 30.620 30.300 0.059 0.000 1.459 25 R HN 0.240 nan 8.270 nan 0.000 0.553 26 S N 0.353 116.100 115.700 0.078 0.000 2.359 26 S HA -0.258 4.213 4.470 0.002 0.000 0.222 26 S C 1.865 176.536 174.600 0.119 0.000 1.038 26 S CA 1.366 59.610 58.200 0.072 0.000 1.051 26 S CB -0.689 62.552 63.200 0.067 0.000 0.944 26 S HN 0.460 nan 8.310 nan 0.000 0.433 27 H N 2.237 121.355 119.070 0.080 0.000 2.319 27 H HA -0.069 4.488 4.556 0.002 0.000 0.299 27 H C 2.434 177.836 175.328 0.123 0.000 1.092 27 H CA 1.642 57.757 56.048 0.111 0.000 1.302 27 H CB -0.572 29.270 29.762 0.134 0.000 1.373 27 H HN 0.493 nan 8.280 nan 0.000 0.497 28 A N 0.955 123.847 122.820 0.120 0.000 1.917 28 A HA -0.168 4.153 4.320 0.002 0.000 0.219 28 A C 2.628 180.226 177.584 0.023 0.000 1.182 28 A CA 1.767 53.845 52.037 0.069 0.000 0.633 28 A CB -0.768 18.299 19.000 0.111 0.000 0.819 28 A HN 0.459 nan 8.150 nan 0.000 0.448 29 I N -1.298 119.289 120.570 0.029 0.000 2.286 29 I HA -0.201 3.970 4.170 0.002 0.000 0.245 29 I C 2.705 178.839 176.117 0.028 0.000 1.104 29 I CA 1.227 62.541 61.300 0.023 0.000 1.397 29 I CB -0.254 37.754 38.000 0.013 0.000 1.072 29 I HN 0.212 nan 8.210 nan 0.000 0.417 30 R N 0.236 120.754 120.500 0.029 0.000 2.081 30 R HA -0.096 4.245 4.340 0.002 0.000 0.235 30 R C 2.235 178.631 176.300 0.159 0.000 1.131 30 R CA 1.120 57.283 56.100 0.106 0.000 0.960 30 R CB -0.285 30.067 30.300 0.087 0.000 0.856 30 R HN 0.245 nan 8.270 nan 0.000 0.436 31 L N 0.001 121.217 121.223 -0.011 0.000 2.056 31 L HA -0.208 4.133 4.340 0.002 0.000 0.207 31 L C 2.312 179.177 176.870 -0.008 0.000 1.078 31 L CA 1.530 56.336 54.840 -0.056 0.000 0.749 31 L CB -0.755 41.205 42.059 -0.166 0.000 0.901 31 L HN 0.396 nan 8.230 nan 0.000 0.433 32 C N -0.530 118.781 119.300 0.019 0.000 2.425 32 C HA -0.159 4.302 4.460 0.002 0.000 0.277 32 C C 2.767 177.792 174.990 0.059 0.000 1.280 32 C CA 0.228 59.275 59.018 0.048 0.000 1.744 32 C CB -0.835 26.938 27.740 0.054 0.000 1.989 32 C HN 0.465 nan 8.230 nan 0.000 0.491 33 L N 0.575 121.828 121.223 0.049 0.000 2.017 33 L HA -0.071 4.270 4.340 0.002 0.000 0.208 33 L C 2.291 179.156 176.870 -0.009 0.000 1.073 33 L CA 1.697 56.558 54.840 0.034 0.000 0.745 33 L CB -0.865 41.212 42.059 0.031 0.000 0.894 33 L HN 0.235 nan 8.230 nan 0.000 0.432 34 L N -0.073 121.118 121.223 -0.052 0.000 2.012 34 L HA -0.151 4.190 4.340 0.002 0.000 0.210 34 L C 2.530 179.358 176.870 -0.070 0.000 1.073 34 L CA 2.153 56.857 54.840 -0.226 0.000 0.748 34 L CB -1.094 40.644 42.059 -0.535 0.000 0.891 34 L HN 0.327 nan 8.230 nan 0.000 0.431 35 A N -0.641 122.173 122.820 -0.009 0.000 1.883 35 A HA -0.151 4.170 4.320 0.002 0.000 0.217 35 A C 2.446 180.110 177.584 0.132 0.000 1.186 35 A CA 2.010 54.080 52.037 0.055 0.000 0.624 35 A CB -1.241 17.794 19.000 0.058 0.000 0.822 35 A HN 0.571 nan 8.150 nan 0.000 0.444 36 A N -0.480 122.441 122.820 0.168 0.000 1.933 36 A HA 0.008 4.329 4.320 0.002 0.000 0.218 36 A C 2.026 179.898 177.584 0.479 0.000 1.175 36 A CA 1.478 53.693 52.037 0.295 0.000 0.628 36 A CB -0.536 18.676 19.000 0.353 0.000 0.814 36 A HN 0.478 nan 8.150 nan 0.000 0.444 37 L N 0.205 121.647 121.223 0.366 0.000 2.554 37 L HA -0.008 4.333 4.340 0.002 0.000 0.226 37 L C 2.026 179.143 176.870 0.412 0.000 1.137 37 L CA 1.016 56.130 54.840 0.457 0.000 0.863 37 L CB 0.027 42.086 42.059 -0.002 0.000 0.985 37 L HN 0.535 nan 8.230 nan 0.000 0.451 38 S N -1.966 113.906 115.700 0.287 0.000 2.603 38 S HA 0.286 4.757 4.470 0.002 0.000 0.232 38 S C 1.353 176.039 174.600 0.143 0.000 1.016 38 S CA 0.270 58.587 58.200 0.196 0.000 0.976 38 S CB 0.910 64.195 63.200 0.143 0.000 0.921 38 S HN 0.373 nan 8.310 nan 0.000 0.516 39 G N 1.171 110.098 108.800 0.212 0.000 2.147 39 G HA2 -0.194 3.767 3.960 0.002 0.000 0.244 39 G HA3 -0.194 3.767 3.960 0.002 0.000 0.244 39 G C -0.183 174.788 174.900 0.117 0.000 1.005 39 G CA 0.204 45.416 45.100 0.186 0.000 0.713 39 G HN 0.498 nan 8.290 nan 0.000 0.515 40 E N -0.016 120.247 120.200 0.105 0.000 2.267 40 E HA 0.718 5.069 4.350 0.002 0.000 0.258 40 E C 0.559 177.205 176.600 0.078 0.000 1.074 40 E CA 0.187 56.630 56.400 0.072 0.000 0.915 40 E CB 1.611 31.340 29.700 0.049 0.000 1.186 40 E HN 0.638 nan 8.360 nan 0.000 0.439 41 S N -0.990 114.749 115.700 0.066 0.000 2.600 41 S HA 0.681 5.152 4.470 0.002 0.000 0.300 41 S C -0.655 173.997 174.600 0.087 0.000 1.087 41 S CA -0.849 57.399 58.200 0.080 0.000 0.965 41 S CB 1.806 65.052 63.200 0.078 0.000 1.089 41 S HN 0.267 nan 8.310 nan 0.000 0.496 42 V N 2.443 122.426 119.914 0.116 0.000 2.760 42 V HA 0.772 4.893 4.120 0.002 0.000 0.309 42 V C -1.793 174.425 176.094 0.206 0.000 1.077 42 V CA -0.995 61.388 62.300 0.138 0.000 0.910 42 V CB 1.632 33.520 31.823 0.108 0.000 1.008 42 V HN 0.961 nan 8.190 nan 0.000 0.424 43 F N 7.509 127.511 119.950 0.087 0.000 2.415 43 F HA 0.769 5.297 4.527 0.002 0.000 0.348 43 F C -1.151 174.729 175.800 0.134 0.000 1.119 43 F CA -0.899 57.165 58.000 0.106 0.000 1.069 43 F CB 1.540 40.663 39.000 0.205 0.000 1.124 43 F HN 0.436 nan 8.300 nan 0.000 0.472 44 L N 7.400 128.247 121.223 -0.626 0.000 2.280 44 L HA 0.435 4.776 4.340 0.002 0.000 0.287 44 L C -1.070 175.287 176.870 -0.855 0.000 1.023 44 L CA -0.681 53.859 54.840 -0.500 0.000 0.819 44 L CB 1.046 43.025 42.059 -0.134 0.000 1.212 44 L HN 0.645 nan 8.230 nan 0.000 0.420 45 L N 4.062 124.918 121.223 -0.612 0.000 2.287 45 L HA 0.955 5.296 4.340 0.002 0.000 0.287 45 L C 0.001 176.755 176.870 -0.193 0.000 1.022 45 L CA 0.280 54.837 54.840 -0.471 0.000 0.814 45 L CB 1.169 43.015 42.059 -0.355 0.000 1.217 45 L HN 0.620 nan 8.230 nan 0.000 0.420 46 G N 4.432 113.169 108.800 -0.104 0.000 2.338 46 G HA2 0.352 4.313 3.960 0.002 0.000 0.295 46 G HA3 0.352 4.313 3.960 0.002 0.000 0.295 46 G C -3.419 171.513 174.900 0.052 0.000 1.461 46 G CA -0.710 44.416 45.100 0.043 0.000 0.817 46 G HN 0.474 nan 8.290 nan 0.000 0.556 47 P HA 0.351 nan 4.420 nan 0.000 0.272 47 P C -2.637 174.699 177.300 0.059 0.000 1.240 47 P CA -1.053 62.091 63.100 0.074 0.000 0.791 47 P CB 0.108 31.860 31.700 0.087 0.000 0.978 48 P HA 0.110 nan 4.420 nan 0.000 0.272 48 P C 0.683 178.010 177.300 0.044 0.000 1.230 48 P CA 0.801 63.926 63.100 0.042 0.000 0.788 48 P CB -0.138 31.582 31.700 0.034 0.000 0.949 49 G N 1.505 110.327 108.800 0.037 0.000 2.246 49 G HA2 -0.230 3.731 3.960 0.002 0.000 0.273 49 G HA3 -0.230 3.731 3.960 0.002 0.000 0.273 49 G C 0.302 175.231 174.900 0.049 0.000 1.055 49 G CA 0.465 45.587 45.100 0.037 0.000 0.851 49 G HN 0.708 nan 8.290 nan 0.000 0.500 50 I N -4.535 116.064 120.570 0.048 0.000 3.569 50 I HA 0.686 4.857 4.170 0.002 0.000 0.334 50 I C 1.276 177.419 176.117 0.045 0.000 1.570 50 I CA 0.101 61.438 61.300 0.062 0.000 1.082 50 I CB 0.448 38.495 38.000 0.079 0.000 1.323 50 I HN 1.381 nan 8.210 nan 0.000 0.489 51 A N 0.987 123.817 122.820 0.017 0.000 2.899 51 A HA -0.271 4.050 4.320 0.002 0.000 0.257 51 A C 1.548 179.098 177.584 -0.058 0.000 1.335 51 A CA 1.700 53.728 52.037 -0.015 0.000 0.924 51 A CB -2.374 16.635 19.000 0.015 0.000 1.105 51 A HN 0.689 nan 8.150 nan 0.000 0.765 52 K N 0.199 120.567 120.400 -0.053 0.000 2.009 52 K HA -0.189 4.132 4.320 0.002 0.000 0.210 52 K C 2.502 178.903 176.600 -0.331 0.000 1.049 52 K CA 1.922 58.160 56.287 -0.081 0.000 0.929 52 K CB -0.289 32.226 32.500 0.025 0.000 0.714 52 K HN 1.074 nan 8.250 nan 0.000 0.440 53 S N 1.547 116.966 115.700 -0.469 0.000 2.383 53 S HA -0.142 4.329 4.470 0.002 0.000 0.227 53 S C 2.066 176.309 174.600 -0.596 0.000 1.026 53 S CA 0.901 58.498 58.200 -1.004 0.000 0.981 53 S CB -0.418 62.450 63.200 -0.554 0.000 0.818 53 S HN 0.203 nan 8.310 nan 0.000 0.472 54 L N 2.674 123.719 121.223 -0.296 0.000 2.012 54 L HA 0.010 4.351 4.340 0.002 0.000 0.210 54 L C 2.259 179.045 176.870 -0.141 0.000 1.073 54 L CA 2.089 56.830 54.840 -0.165 0.000 0.748 54 L CB -1.082 40.929 42.059 -0.080 0.000 0.891 54 L HN 0.609 nan 8.230 nan 0.000 0.431 55 I N -1.691 118.798 120.570 -0.135 0.000 2.493 55 I HA -0.031 4.140 4.170 0.002 0.000 0.254 55 I C 2.320 178.383 176.117 -0.091 0.000 1.160 55 I CA 1.571 62.826 61.300 -0.076 0.000 1.445 55 I CB -1.176 36.802 38.000 -0.037 0.000 1.086 55 I HN 0.147 nan 8.210 nan 0.000 0.433 56 A N 1.256 123.956 122.820 -0.201 0.000 1.873 56 A HA -0.127 4.194 4.320 0.002 0.000 0.215 56 A C 2.534 180.040 177.584 -0.130 0.000 1.186 56 A CA 1.693 53.628 52.037 -0.169 0.000 0.616 56 A CB -0.702 18.085 19.000 -0.356 0.000 0.823 56 A HN 0.477 nan 8.150 nan 0.000 0.442 57 R N -1.179 119.210 120.500 -0.186 0.000 2.115 57 R HA -0.028 4.313 4.340 0.002 0.000 0.230 57 R C 2.395 178.633 176.300 -0.103 0.000 1.111 57 R CA 0.766 56.780 56.100 -0.143 0.000 0.976 57 R CB -0.196 30.027 30.300 -0.128 0.000 0.870 57 R HN 0.310 nan 8.270 nan 0.000 0.445 58 R N 0.440 120.942 120.500 0.003 0.000 2.105 58 R HA -0.117 4.224 4.340 0.002 0.000 0.239 58 R C 1.932 178.305 176.300 0.121 0.000 1.135 58 R CA 1.008 57.197 56.100 0.149 0.000 0.967 58 R CB -0.424 29.932 30.300 0.094 0.000 0.861 58 R HN 0.214 nan 8.270 nan 0.000 0.442 59 L N 1.629 122.874 121.223 0.036 0.000 2.376 59 L HA -0.137 4.204 4.340 0.002 0.000 0.219 59 L C 2.161 179.089 176.870 0.097 0.000 1.133 59 L CA 1.386 56.270 54.840 0.073 0.000 0.816 59 L CB -0.698 41.416 42.059 0.091 0.000 0.933 59 L HN 0.277 nan 8.230 nan 0.000 0.449 60 K N -1.202 119.155 120.400 -0.071 0.000 2.283 60 K HA -0.150 4.171 4.320 0.002 0.000 0.202 60 K C 1.693 178.240 176.600 -0.088 0.000 1.048 60 K CA 1.361 57.579 56.287 -0.115 0.000 0.948 60 K CB -0.466 31.828 32.500 -0.345 0.000 0.742 60 K HN 0.143 nan 8.250 nan 0.000 0.458 61 F N 1.014 121.012 119.950 0.080 0.000 2.811 61 F HA 0.183 4.711 4.527 0.002 0.000 0.301 61 F C 2.182 177.970 175.800 -0.019 0.000 1.151 61 F CA -0.034 57.986 58.000 0.033 0.000 1.412 61 F CB 0.218 39.220 39.000 0.003 0.000 1.113 61 F HN 0.151 nan 8.300 nan 0.000 0.579 62 A N -0.283 122.569 122.820 0.053 0.000 2.119 62 A HA 0.106 4.427 4.320 0.002 0.000 0.216 62 A C 0.251 177.545 177.584 -0.483 0.000 1.152 62 A CA 0.598 52.473 52.037 -0.271 0.000 0.708 62 A CB -0.458 18.243 19.000 -0.497 0.000 0.805 62 A HN 0.229 nan 8.150 nan 0.000 0.460 63 F N -1.657 118.322 119.950 0.048 0.000 2.546 63 F HA 0.391 4.919 4.527 0.002 0.000 0.320 63 F C 1.234 177.048 175.800 0.023 0.000 1.076 63 F CA -0.859 57.151 58.000 0.017 0.000 0.928 63 F CB 1.386 40.355 39.000 -0.053 0.000 1.189 63 F HN -0.014 nan 8.300 nan 0.000 0.465 64 Q N 0.592 120.508 119.800 0.194 0.000 1.942 64 Q HA -0.170 4.171 4.340 0.002 0.000 0.203 64 Q C 0.333 176.391 176.000 0.098 0.000 0.987 64 Q CA 1.352 57.226 55.803 0.119 0.000 0.844 64 Q CB -0.185 28.602 28.738 0.082 0.000 0.911 64 Q HN 0.496 nan 8.270 nan 0.000 0.423 65 N N 0.086 118.828 118.700 0.070 0.000 2.462 65 N HA 0.353 5.094 4.740 0.002 0.000 0.242 65 N C -1.922 173.576 175.510 -0.021 0.000 1.010 65 N CA -0.064 52.998 53.050 0.019 0.000 0.939 65 N CB 1.061 39.545 38.487 -0.006 0.000 1.127 65 N HN 0.231 nan 8.380 nan 0.000 0.509 66 A N 3.894 126.699 122.820 -0.026 0.000 2.476 66 A HA 0.480 4.801 4.320 0.002 0.000 0.280 66 A C -0.621 176.905 177.584 -0.096 0.000 1.081 66 A CA -0.822 51.158 52.037 -0.095 0.000 0.753 66 A CB 0.762 19.741 19.000 -0.035 0.000 1.248 66 A HN 0.664 nan 8.150 nan 0.000 0.424 67 R N 1.407 121.845 120.500 -0.103 0.000 2.297 67 R HA 0.657 4.998 4.340 0.002 0.000 0.308 67 R C 0.131 176.391 176.300 -0.066 0.000 1.029 67 R CA -0.092 55.964 56.100 -0.075 0.000 0.929 67 R CB 1.729 31.996 30.300 -0.056 0.000 1.046 67 R HN 0.766 nan 8.270 nan 0.000 0.461 68 A N 3.144 125.931 122.820 -0.054 0.000 2.312 68 A HA 0.581 4.902 4.320 0.002 0.000 0.326 68 A C -1.268 176.363 177.584 0.079 0.000 1.172 68 A CA -0.487 51.539 52.037 -0.019 0.000 0.821 68 A CB 0.639 19.586 19.000 -0.088 0.000 1.166 68 A HN 0.678 nan 8.150 nan 0.000 0.493 69 F N 1.361 121.284 119.950 -0.047 0.000 2.507 69 F HA 0.526 5.054 4.527 0.001 0.000 0.328 69 F C -0.211 175.613 175.800 0.039 0.000 1.136 69 F CA -0.348 57.633 58.000 -0.032 0.000 0.930 69 F CB 1.462 40.427 39.000 -0.058 0.000 1.166 69 F HN 0.688 nan 8.300 nan 0.000 0.436 70 E N 5.298 125.158 120.200 -0.566 0.000 2.227 70 E HA 0.382 4.733 4.350 0.002 0.000 0.268 70 E C -2.183 174.044 176.600 -0.623 0.000 0.907 70 E CA -0.802 55.391 56.400 -0.345 0.000 0.786 70 E CB 2.254 31.898 29.700 -0.093 0.000 1.191 70 E HN 0.725 nan 8.360 nan 0.000 0.411 71 Y N 3.065 123.075 120.300 -0.483 0.000 2.480 71 Y HA 0.301 4.852 4.550 0.001 0.000 0.329 71 Y C -1.949 173.807 175.900 -0.240 0.000 1.127 71 Y CA -0.931 56.940 58.100 -0.382 0.000 1.037 71 Y CB 1.258 39.502 38.460 -0.359 0.000 1.320 71 Y HN 0.525 nan 8.280 nan 0.000 0.446 72 L N 6.641 127.477 121.223 -0.644 0.000 2.264 72 L HA 0.478 4.819 4.340 0.002 0.000 0.289 72 L C -0.886 175.721 176.870 -0.438 0.000 1.044 72 L CA -0.368 54.217 54.840 -0.426 0.000 0.807 72 L CB 0.563 42.433 42.059 -0.314 0.000 1.192 72 L HN 0.612 nan 8.230 nan 0.000 0.425 73 M N 4.258 123.793 119.600 -0.110 0.000 2.219 73 M HA 0.201 4.682 4.480 0.002 0.000 0.353 73 M C 0.413 176.702 176.300 -0.018 0.000 1.304 73 M CA 0.239 55.569 55.300 0.051 0.000 1.115 73 M CB 0.444 33.056 32.600 0.019 0.000 1.664 73 M HN 0.792 nan 8.290 nan 0.000 0.459 74 T N 0.577 115.156 114.554 0.040 0.000 2.942 74 T HA 0.530 4.881 4.350 0.002 0.000 0.289 74 T C 0.956 175.619 174.700 -0.061 0.000 1.044 74 T CA -0.927 61.172 62.100 -0.001 0.000 1.023 74 T CB 1.777 70.695 68.868 0.082 0.000 1.123 74 T HN 0.709 nan 8.240 nan 0.000 0.512 75 R N -0.257 120.087 120.500 -0.260 0.000 2.237 75 R HA 0.089 4.430 4.340 0.002 0.000 0.219 75 R C 0.516 176.547 176.300 -0.449 0.000 1.080 75 R CA 1.130 56.977 56.100 -0.421 0.000 0.995 75 R CB -0.361 29.572 30.300 -0.610 0.000 0.875 75 R HN 0.625 nan 8.270 nan 0.000 0.462 76 F N 0.005 119.988 119.950 0.054 0.000 2.639 76 F HA 0.248 4.776 4.527 0.002 0.000 0.300 76 F C 0.431 176.277 175.800 0.077 0.000 1.109 76 F CA -0.420 57.614 58.000 0.056 0.000 1.335 76 F CB 0.250 39.277 39.000 0.045 0.000 1.014 76 F HN -0.289 nan 8.300 nan 0.000 0.537 77 S N 0.927 116.742 115.700 0.191 0.000 2.531 77 S HA 0.338 4.809 4.470 0.002 0.000 0.279 77 S C 0.604 175.284 174.600 0.133 0.000 1.305 77 S CA -0.419 57.903 58.200 0.202 0.000 1.058 77 S CB 0.511 63.864 63.200 0.255 0.000 0.899 77 S HN 0.396 nan 8.310 nan 0.000 0.493 78 T N 0.785 115.407 114.554 0.114 0.000 2.918 78 T HA 0.464 4.815 4.350 0.002 0.000 0.286 78 T C -2.424 172.308 174.700 0.054 0.000 1.026 78 T CA -2.357 59.795 62.100 0.087 0.000 1.031 78 T CB 1.381 70.302 68.868 0.088 0.000 1.046 78 T HN 0.108 nan 8.240 nan 0.000 0.479 79 P HA -0.077 nan 4.420 nan 0.000 0.220 79 P C 1.085 178.484 177.300 0.164 0.000 1.144 79 P CA 0.913 64.171 63.100 0.265 0.000 0.800 79 P CB 0.099 31.993 31.700 0.322 0.000 0.772 80 E N -0.242 119.997 120.200 0.064 0.000 2.110 80 E HA -0.178 4.173 4.350 0.002 0.000 0.193 80 E C 1.838 178.385 176.600 -0.089 0.000 0.988 80 E CA 1.233 57.625 56.400 -0.013 0.000 0.804 80 E CB -0.561 29.143 29.700 0.008 0.000 0.745 80 E HN 0.438 nan 8.360 nan 0.000 0.458 81 E N -0.543 119.636 120.200 -0.035 0.000 2.112 81 E HA -0.075 4.276 4.350 0.002 0.000 0.190 81 E C 1.970 178.513 176.600 -0.095 0.000 0.979 81 E CA 0.982 57.398 56.400 0.027 0.000 0.814 81 E CB 0.140 29.913 29.700 0.120 0.000 0.762 81 E HN 0.053 nan 8.360 nan 0.000 0.460 82 V N 0.103 119.775 119.914 -0.403 0.000 2.379 82 V HA -0.120 4.001 4.120 0.002 0.000 0.243 82 V C 1.444 177.129 176.094 -0.681 0.000 1.035 82 V CA 1.432 63.326 62.300 -0.677 0.000 1.035 82 V CB -0.259 30.934 31.823 -1.050 0.000 0.673 82 V HN 0.187 nan 8.190 nan 0.000 0.457 83 F N 0.347 120.111 119.950 -0.310 0.000 2.731 83 F HA 0.600 5.128 4.527 0.001 0.000 0.298 83 F C 1.181 176.619 175.800 -0.603 0.000 1.106 83 F CA 0.446 58.164 58.000 -0.470 0.000 1.329 83 F CB 0.119 38.856 39.000 -0.438 0.000 1.100 83 F HN 0.255 nan 8.300 nan 0.000 0.592 84 G N 1.153 109.503 108.800 -0.750 0.000 2.742 84 G HA2 0.022 3.983 3.960 0.002 0.000 0.686 84 G HA3 0.022 3.983 3.960 0.002 0.000 0.686 84 G C -3.306 171.321 174.900 -0.454 0.000 1.220 84 G CA -1.497 42.879 45.100 -1.207 0.000 0.783 84 G HN -0.157 nan 8.290 nan 0.000 0.646 85 P HA 0.519 nan 4.420 nan 0.000 0.285 85 P C 0.552 177.810 177.300 -0.070 0.000 1.259 85 P CA -0.588 62.438 63.100 -0.124 0.000 0.794 85 P CB 1.049 32.711 31.700 -0.062 0.000 0.940 86 L N 0.949 122.154 121.223 -0.030 0.000 2.395 86 L HA 0.536 4.877 4.340 0.002 0.000 0.269 86 L C 0.844 177.711 176.870 -0.005 0.000 1.133 86 L CA -0.599 54.233 54.840 -0.013 0.000 0.812 86 L CB 0.062 42.115 42.059 -0.010 0.000 1.125 86 L HN 0.348 nan 8.230 nan 0.000 0.452 99 R N 1.553 122.069 120.500 0.026 0.000 2.368 99 R HA 0.514 4.855 4.340 0.002 0.000 0.302 99 R C -0.681 175.638 176.300 0.032 0.000 1.002 99 R CA -0.483 55.637 56.100 0.034 0.000 0.929 99 R CB 0.947 31.303 30.300 0.094 0.000 1.073 99 R HN 0.081 nan 8.270 nan 0.000 0.464 100 L N 4.723 125.945 121.223 -0.003 0.000 2.356 100 L HA 0.183 4.523 4.340 0.002 0.000 0.282 100 L C 1.290 178.163 176.870 0.005 0.000 1.132 100 L CA -0.216 54.635 54.840 0.019 0.000 0.923 100 L CB 1.081 43.162 42.059 0.037 0.000 1.278 100 L HN 0.872 nan 8.230 nan 0.000 0.436 101 T N -2.862 111.729 114.554 0.061 0.000 3.057 101 T HA -0.016 4.335 4.350 0.002 0.000 0.254 101 T C 1.064 175.897 174.700 0.222 0.000 1.094 101 T CA -0.178 61.968 62.100 0.078 0.000 1.088 101 T CB 0.223 69.102 68.868 0.018 0.000 0.934 101 T HN 0.348 nan 8.240 nan 0.000 0.497 102 S N 1.202 117.013 115.700 0.186 0.000 2.555 102 S HA 0.415 4.886 4.470 0.002 0.000 0.293 102 S C 1.507 176.158 174.600 0.084 0.000 1.248 102 S CA 0.629 58.898 58.200 0.115 0.000 1.096 102 S CB -0.843 62.404 63.200 0.077 0.000 0.881 102 S HN 1.156 nan 8.310 nan 0.000 0.498 103 G N 3.626 112.399 108.800 -0.045 0.000 2.141 103 G HA2 -0.212 3.749 3.960 0.002 0.000 0.231 103 G HA3 -0.212 3.749 3.960 0.002 0.000 0.231 103 G C -0.257 174.395 174.900 -0.414 0.000 0.984 103 G CA 0.245 45.217 45.100 -0.213 0.000 0.660 103 G HN 0.675 nan 8.290 nan 0.000 0.525 104 Y N -1.667 118.522 120.300 -0.186 0.000 2.686 104 Y HA 0.647 5.198 4.550 0.002 0.000 0.330 104 Y C 1.536 176.862 175.900 -0.956 0.000 1.082 104 Y CA -0.471 57.240 58.100 -0.648 0.000 1.158 104 Y CB 0.782 38.979 38.460 -0.439 0.000 1.333 104 Y HN 0.004 nan 8.280 nan 0.000 0.519 105 L N 1.863 122.301 121.223 -1.308 0.000 2.021 105 L HA -0.166 4.175 4.340 0.002 0.000 0.215 105 L C -1.075 175.563 176.870 -0.386 0.000 1.074 105 L CA 2.018 56.359 54.840 -0.833 0.000 0.760 105 L CB -0.899 40.751 42.059 -0.681 0.000 0.889 105 L HN 0.528 nan 8.230 nan 0.000 0.433 106 P HA -0.166 nan 4.420 nan 0.000 0.223 106 P C -0.521 176.686 177.300 -0.156 0.000 1.144 106 P CA 1.343 64.269 63.100 -0.290 0.000 0.783 106 P CB -0.116 31.332 31.700 -0.420 0.000 0.771 107 E N -1.343 118.768 120.200 -0.148 0.000 3.935 107 E HA 0.616 4.967 4.350 0.002 0.000 0.226 107 E C -0.901 175.640 176.600 -0.098 0.000 1.220 107 E CA -0.813 55.529 56.400 -0.097 0.000 1.226 107 E CB 0.809 30.475 29.700 -0.056 0.000 1.237 107 E HN -0.121 nan 8.360 nan 0.000 0.417 108 A N 1.148 123.903 122.820 -0.108 0.000 2.455 108 A HA 0.448 4.769 4.320 0.002 0.000 0.300 108 A C -0.041 177.480 177.584 -0.105 0.000 1.040 108 A CA -0.687 51.302 52.037 -0.080 0.000 0.697 108 A CB 1.617 20.609 19.000 -0.013 0.000 1.265 108 A HN 0.192 nan 8.150 nan 0.000 0.407 109 E N 0.744 120.853 120.200 -0.152 0.000 2.112 109 E HA 0.083 4.434 4.350 0.002 0.000 0.190 109 E C -0.275 176.210 176.600 -0.192 0.000 0.979 109 E CA 1.245 57.494 56.400 -0.251 0.000 0.814 109 E CB 0.002 29.447 29.700 -0.425 0.000 0.762 109 E HN 0.631 nan 8.360 nan 0.000 0.460 110 I N 0.719 121.224 120.570 -0.108 0.000 2.355 110 I HA 0.159 4.330 4.170 0.002 0.000 0.288 110 I C -0.892 175.261 176.117 0.059 0.000 0.999 110 I CA -0.950 60.336 61.300 -0.023 0.000 1.163 110 I CB 1.780 39.770 38.000 -0.016 0.000 1.316 110 I HN -0.230 nan 8.210 nan 0.000 0.454 111 V N 3.801 123.775 119.914 0.100 0.000 2.409 111 V HA 0.599 4.720 4.120 0.002 0.000 0.291 111 V C -0.868 175.347 176.094 0.201 0.000 1.020 111 V CA -0.753 61.658 62.300 0.185 0.000 0.848 111 V CB 1.390 33.316 31.823 0.172 0.000 0.990 111 V HN 0.519 nan 8.190 nan 0.000 0.430 112 F N 6.160 126.131 119.950 0.035 0.000 2.458 112 F HA 0.826 5.354 4.527 0.002 0.000 0.336 112 F C -0.807 174.982 175.800 -0.018 0.000 1.114 112 F CA -1.241 56.753 58.000 -0.011 0.000 0.987 112 F CB 1.623 40.593 39.000 -0.050 0.000 1.130 112 F HN 0.540 nan 8.300 nan 0.000 0.458 113 L N 6.212 126.960 121.223 -0.792 0.000 2.377 113 L HA 0.327 4.668 4.340 0.002 0.000 0.270 113 L C -0.863 175.472 176.870 -0.892 0.000 0.991 113 L CA -0.806 53.669 54.840 -0.608 0.000 0.851 113 L CB 1.300 43.206 42.059 -0.255 0.000 1.218 113 L HN 0.521 nan 8.230 nan 0.000 0.420 114 D N 2.267 122.168 120.400 -0.831 0.000 2.313 114 D HA 0.119 4.760 4.640 0.002 0.000 0.247 114 D C 0.363 176.480 176.300 -0.304 0.000 1.094 114 D CA 0.150 53.822 54.000 -0.546 0.000 0.925 114 D CB 1.290 41.970 40.800 -0.201 0.000 1.188 114 D HN 0.502 nan 8.370 nan 0.000 0.430 115 E N 1.315 121.370 120.200 -0.242 0.000 2.246 115 E HA -0.226 4.125 4.350 0.002 0.000 0.211 115 E C 0.577 177.036 176.600 -0.236 0.000 1.278 115 E CA 0.031 56.320 56.400 -0.186 0.000 0.694 115 E CB -1.445 28.190 29.700 -0.108 0.000 1.166 115 E HN 0.462 nan 8.360 nan 0.000 0.370 116 I N -0.539 119.772 120.570 -0.431 0.000 2.439 116 I HA -0.058 4.113 4.170 0.002 0.000 0.251 116 I C 1.397 177.336 176.117 -0.296 0.000 1.139 116 I CA 1.314 62.322 61.300 -0.485 0.000 1.438 116 I CB -0.074 37.464 38.000 -0.769 0.000 1.085 116 I HN 0.505 nan 8.210 nan 0.000 0.427 117 W N 1.562 122.836 121.300 -0.042 0.000 3.216 117 W HA 0.006 4.667 4.660 0.002 0.000 0.247 117 W C 1.392 177.877 176.519 -0.056 0.000 1.326 117 W CA -0.102 57.201 57.345 -0.070 0.000 1.564 117 W CB -0.307 29.093 29.460 -0.100 0.000 1.113 117 W HN 0.237 nan 8.180 nan 0.000 0.722 118 K N -0.355 120.110 120.400 0.108 0.000 2.506 118 K HA 0.527 4.848 4.320 0.002 0.000 0.204 118 K C 0.477 177.090 176.600 0.022 0.000 1.045 118 K CA -0.405 55.908 56.287 0.043 0.000 1.074 118 K CB 0.198 32.695 32.500 -0.005 0.000 0.842 118 K HN -0.100 nan 8.250 nan 0.000 0.514 119 A N 1.404 124.252 122.820 0.047 0.000 2.440 119 A HA 0.497 4.818 4.320 0.002 0.000 0.251 119 A C 0.688 178.303 177.584 0.052 0.000 1.089 119 A CA 0.025 52.091 52.037 0.048 0.000 0.779 119 A CB 0.164 19.196 19.000 0.054 0.000 1.022 119 A HN 0.444 nan 8.150 nan 0.000 0.492 120 G N 1.619 110.447 108.800 0.046 0.000 2.651 120 G HA2 0.411 4.372 3.960 0.002 0.000 0.260 120 G HA3 0.411 4.372 3.960 0.002 0.000 0.260 120 G C -1.042 173.890 174.900 0.054 0.000 1.216 120 G CA -0.594 44.531 45.100 0.042 0.000 0.913 120 G HN 0.522 nan 8.290 nan 0.000 0.535 121 P HA -0.127 nan 4.420 nan 0.000 0.218 121 P C 1.754 179.083 177.300 0.049 0.000 1.148 121 P CA 1.772 64.896 63.100 0.041 0.000 0.822 121 P CB 0.136 31.851 31.700 0.026 0.000 0.784 122 A N -0.172 122.682 122.820 0.057 0.000 1.897 122 A HA -0.090 4.231 4.320 0.002 0.000 0.215 122 A C 2.320 179.969 177.584 0.110 0.000 1.181 122 A CA 1.141 53.217 52.037 0.065 0.000 0.620 122 A CB -1.355 17.684 19.000 0.065 0.000 0.821 122 A HN 0.120 nan 8.150 nan 0.000 0.443 123 I N -0.559 120.096 120.570 0.141 0.000 2.233 123 I HA -0.189 3.982 4.170 0.002 0.000 0.243 123 I C 2.453 178.686 176.117 0.193 0.000 1.093 123 I CA 0.820 62.255 61.300 0.224 0.000 1.380 123 I CB -0.373 37.712 38.000 0.143 0.000 1.067 123 I HN 0.328 nan 8.210 nan 0.000 0.413 124 L N 1.052 122.350 121.223 0.125 0.000 1.997 124 L HA -0.326 4.015 4.340 0.002 0.000 0.216 124 L C 2.479 179.407 176.870 0.096 0.000 1.074 124 L CA 2.003 56.907 54.840 0.108 0.000 0.763 124 L CB -0.550 41.559 42.059 0.084 0.000 0.890 124 L HN 0.421 nan 8.230 nan 0.000 0.434 125 N N -0.722 118.020 118.700 0.069 0.000 2.084 125 N HA -0.161 4.580 4.740 0.002 0.000 0.190 125 N C 1.625 177.151 175.510 0.026 0.000 1.030 125 N CA 2.245 55.317 53.050 0.037 0.000 0.849 125 N CB -0.294 38.201 38.487 0.013 0.000 1.012 125 N HN 0.530 nan 8.380 nan 0.000 0.423 126 T N 0.036 114.602 114.554 0.021 0.000 2.962 126 T HA 0.036 4.387 4.350 0.002 0.000 0.270 126 T C 2.184 176.902 174.700 0.029 0.000 1.088 126 T CA 0.415 62.473 62.100 -0.070 0.000 1.127 126 T CB -0.236 68.445 68.868 -0.311 0.000 0.883 126 T HN 0.097 nan 8.240 nan 0.000 0.493 127 L N -0.002 121.329 121.223 0.180 0.000 2.072 127 L HA 0.116 4.457 4.340 0.002 0.000 0.205 127 L C 2.571 179.508 176.870 0.111 0.000 1.079 127 L CA 0.947 55.907 54.840 0.201 0.000 0.752 127 L CB -0.408 41.765 42.059 0.191 0.000 0.906 127 L HN 0.245 nan 8.230 nan 0.000 0.436 128 L N -0.619 120.653 121.223 0.081 0.000 2.083 128 L HA -0.201 4.140 4.340 0.002 0.000 0.209 128 L C 2.702 179.596 176.870 0.039 0.000 1.083 128 L CA 1.837 56.710 54.840 0.055 0.000 0.752 128 L CB -0.860 41.224 42.059 0.042 0.000 0.899 128 L HN 0.453 nan 8.230 nan 0.000 0.433 129 T N -3.321 111.251 114.554 0.028 0.000 2.985 129 T HA 0.020 4.371 4.350 0.002 0.000 0.266 129 T C 1.911 176.632 174.700 0.035 0.000 1.076 129 T CA 0.692 62.801 62.100 0.016 0.000 1.135 129 T CB -0.160 68.701 68.868 -0.012 0.000 0.890 129 T HN 0.277 nan 8.240 nan 0.000 0.480 130 A N 1.592 124.446 122.820 0.057 0.000 1.898 130 A HA 0.190 4.511 4.320 0.002 0.000 0.216 130 A C 2.327 179.948 177.584 0.060 0.000 1.181 130 A CA 1.100 53.181 52.037 0.072 0.000 0.620 130 A CB -0.707 18.361 19.000 0.113 0.000 0.819 130 A HN 0.574 nan 8.150 nan 0.000 0.442 131 I N -0.136 120.470 120.570 0.060 0.000 2.233 131 I HA -0.193 3.977 4.170 0.002 0.000 0.243 131 I C 2.153 178.294 176.117 0.040 0.000 1.093 131 I CA 1.005 62.336 61.300 0.051 0.000 1.380 131 I CB -0.410 37.622 38.000 0.053 0.000 1.067 131 I HN 0.301 nan 8.210 nan 0.000 0.413 132 N N 0.978 119.698 118.700 0.034 0.000 2.124 132 N HA -0.116 4.625 4.740 0.002 0.000 0.188 132 N C 1.629 177.153 175.510 0.023 0.000 1.045 132 N CA 1.318 54.383 53.050 0.024 0.000 0.846 132 N CB -0.350 38.148 38.487 0.018 0.000 1.020 132 N HN 0.370 nan 8.380 nan 0.000 0.432 133 E N 0.469 120.682 120.200 0.021 0.000 2.481 133 E HA 0.063 4.414 4.350 0.002 0.000 0.195 133 E C -0.077 176.538 176.600 0.025 0.000 1.047 133 E CA -0.134 56.277 56.400 0.018 0.000 0.867 133 E CB 0.168 29.874 29.700 0.009 0.000 0.858 133 E HN 0.036 nan 8.360 nan 0.000 0.513 134 R N 0.999 121.519 120.500 0.034 0.000 3.610 134 R HA -0.198 4.143 4.340 0.002 0.000 0.274 134 R C -0.788 175.537 176.300 0.042 0.000 1.123 134 R CA 0.795 56.918 56.100 0.038 0.000 0.747 134 R CB -1.733 28.589 30.300 0.036 0.000 1.149 134 R HN 0.292 nan 8.270 nan 0.000 0.471 135 Q N -1.285 118.545 119.800 0.051 0.000 2.496 135 Q HA 0.721 5.062 4.340 0.002 0.000 0.286 135 Q C -1.163 174.914 176.000 0.128 0.000 1.103 135 Q CA -0.965 54.877 55.803 0.065 0.000 0.813 135 Q CB 2.075 30.830 28.738 0.027 0.000 1.444 135 Q HN 0.089 nan 8.270 nan 0.000 0.443 136 F N 0.294 120.197 119.950 -0.077 0.000 2.588 136 F HA 0.428 4.956 4.527 0.001 0.000 0.314 136 F C -1.283 174.447 175.800 -0.116 0.000 1.134 136 F CA -0.729 57.193 58.000 -0.130 0.000 0.961 136 F CB 1.420 40.338 39.000 -0.136 0.000 1.239 136 F HN 0.386 nan 8.300 nan 0.000 0.448 137 R N 3.813 123.781 120.500 -0.887 0.000 2.387 137 R HA 0.129 4.470 4.340 0.002 0.000 0.321 137 R C 0.043 175.756 176.300 -0.979 0.000 1.174 137 R CA -0.123 55.540 56.100 -0.730 0.000 1.002 137 R CB -0.272 29.705 30.300 -0.538 0.000 1.028 137 R HN 0.436 nan 8.270 nan 0.000 0.482 138 N N 2.727 121.107 118.700 -0.533 0.000 3.091 138 N HA 0.024 4.765 4.740 0.002 0.000 0.301 138 N C 0.929 176.328 175.510 -0.184 0.000 1.325 138 N CA 0.731 53.606 53.050 -0.293 0.000 1.143 138 N CB 0.417 38.885 38.487 -0.031 0.000 1.450 138 N HN 0.845 nan 8.380 nan 0.000 0.542 139 G N 1.028 109.683 108.800 -0.240 0.000 5.266 139 G HA2 -0.453 3.508 3.960 0.002 0.000 0.262 139 G HA3 -0.453 3.508 3.960 0.002 0.000 0.262 139 G C 0.908 175.718 174.900 -0.150 0.000 1.359 139 G CA 0.829 45.833 45.100 -0.161 0.000 0.955 139 G HN 0.674 nan 8.290 nan 0.000 0.754 140 A N 0.000 122.748 122.820 -0.121 0.000 1.974 140 A HA 0.486 4.807 4.320 0.002 0.000 0.219 140 A C 1.090 178.552 177.584 -0.204 0.000 1.479 140 A CA 1.033 52.975 52.037 -0.159 0.000 0.615 140 A CB -0.481 18.448 19.000 -0.118 0.000 1.130 140 A HN 0.690 nan 8.150 nan 0.000 0.497 141 H N -0.260 118.765 119.070 -0.074 0.000 2.562 141 H HA 0.387 4.944 4.556 0.002 0.000 0.352 141 H C -0.281 174.995 175.328 -0.086 0.000 1.125 141 H CA 0.341 56.349 56.048 -0.066 0.000 1.379 141 H CB 1.182 30.919 29.762 -0.042 0.000 1.464 141 H HN 0.324 nan 8.280 nan 0.000 0.563 142 V N 0.993 120.946 119.914 0.064 0.000 2.465 142 V HA 0.358 4.479 4.120 0.002 0.000 0.279 142 V C 0.098 176.218 176.094 0.042 0.000 1.045 142 V CA -0.759 61.542 62.300 0.002 0.000 0.938 142 V CB 1.140 32.946 31.823 -0.028 0.000 0.986 142 V HN 0.833 nan 8.190 nan 0.000 0.467 143 E N 2.988 123.218 120.200 0.050 0.000 2.238 143 E HA 0.622 4.973 4.350 0.002 0.000 0.267 143 E C -1.291 175.347 176.600 0.064 0.000 0.887 143 E CA -1.316 55.118 56.400 0.057 0.000 0.769 143 E CB 1.904 31.647 29.700 0.072 0.000 1.187 143 E HN 0.703 nan 8.360 nan 0.000 0.416 144 K N 2.614 123.037 120.400 0.038 0.000 2.349 144 K HA 0.296 4.617 4.320 0.002 0.000 0.288 144 K C -0.310 176.306 176.600 0.026 0.000 1.058 144 K CA -0.150 56.156 56.287 0.032 0.000 0.953 144 K CB 0.048 32.560 32.500 0.020 0.000 0.997 144 K HN 0.439 nan 8.250 nan 0.000 0.477 145 I N 4.549 125.135 120.570 0.027 0.000 2.529 145 I HA 0.109 4.280 4.170 0.002 0.000 0.284 145 I C -1.213 174.895 176.117 -0.016 0.000 1.082 145 I CA -1.880 59.419 61.300 -0.001 0.000 1.406 145 I CB 0.749 38.746 38.000 -0.004 0.000 1.405 145 I HN 0.619 nan 8.210 nan 0.000 0.548 146 P HA -0.005 nan 4.420 nan 0.000 0.253 146 P C 0.380 177.614 177.300 -0.110 0.000 1.260 146 P CA 0.108 63.164 63.100 -0.073 0.000 0.800 146 P CB 0.219 31.860 31.700 -0.098 0.000 1.162 147 M N 1.021 120.576 119.600 -0.076 0.000 2.408 147 M HA -0.044 4.437 4.480 0.002 0.000 0.363 147 M C 0.961 177.220 176.300 -0.068 0.000 1.636 147 M CA 0.611 55.867 55.300 -0.075 0.000 1.029 147 M CB 0.398 32.981 32.600 -0.028 0.000 2.068 147 M HN -0.108 nan 8.290 nan 0.000 0.466 148 R N 3.600 124.008 120.500 -0.154 0.000 2.123 148 R HA 0.249 4.590 4.340 0.002 0.000 0.209 148 R C -0.358 175.947 176.300 0.007 0.000 1.078 148 R CA 0.359 56.378 56.100 -0.135 0.000 1.028 148 R CB 0.365 30.317 30.300 -0.578 0.000 0.939 148 R HN 0.617 nan 8.270 nan 0.000 0.463 149 L N 1.062 122.276 121.223 -0.015 0.000 2.409 149 L HA 0.460 4.801 4.340 0.002 0.000 0.272 149 L C -1.651 175.256 176.870 0.061 0.000 0.980 149 L CA -0.937 53.938 54.840 0.059 0.000 0.826 149 L CB 1.980 44.096 42.059 0.094 0.000 1.268 149 L HN -0.106 nan 8.230 nan 0.000 0.407 150 L N 6.049 127.319 121.223 0.078 0.000 2.322 150 L HA 0.859 5.200 4.340 0.002 0.000 0.281 150 L C -1.398 175.537 176.870 0.109 0.000 1.014 150 L CA -0.417 54.474 54.840 0.086 0.000 0.815 150 L CB 1.869 43.970 42.059 0.070 0.000 1.247 150 L HN 0.537 nan 8.230 nan 0.000 0.421 151 V N 5.019 125.014 119.914 0.134 0.000 2.638 151 V HA 0.958 5.079 4.120 0.002 0.000 0.306 151 V C -0.880 175.262 176.094 0.079 0.000 1.052 151 V CA 0.258 62.662 62.300 0.172 0.000 0.885 151 V CB 1.570 33.545 31.823 0.253 0.000 0.999 151 V HN 1.154 nan 8.190 nan 0.000 0.424 152 A N 5.370 128.214 122.820 0.039 0.000 2.365 152 A HA 1.044 5.365 4.320 0.002 0.000 0.318 152 A C -0.190 177.337 177.584 -0.095 0.000 1.091 152 A CA -0.106 51.853 52.037 -0.131 0.000 0.763 152 A CB 1.808 20.751 19.000 -0.095 0.000 1.248 152 A HN 2.161 nan 8.150 nan 0.000 0.442 153 A N 0.730 123.392 122.820 -0.263 0.000 2.423 153 A HA 0.974 5.295 4.320 0.002 0.000 0.304 153 A C -0.210 177.253 177.584 -0.202 0.000 1.104 153 A CA -0.081 51.834 52.037 -0.203 0.000 0.757 153 A CB 1.618 20.647 19.000 0.047 0.000 1.313 153 A HN 2.247 nan 8.150 nan 0.000 0.423 154 S N -0.480 115.132 115.700 -0.146 0.000 2.597 154 S HA 0.298 4.769 4.470 0.002 0.000 0.274 154 S C -0.206 174.404 174.600 0.017 0.000 1.132 154 S CA -0.273 57.903 58.200 -0.041 0.000 0.835 154 S CB 1.226 64.409 63.200 -0.029 0.000 1.092 154 S HN 0.825 nan 8.310 nan 0.000 0.457 155 N N 1.502 120.235 118.700 0.054 0.000 2.424 155 N HA 0.152 4.893 4.740 0.002 0.000 0.178 155 N C 0.182 175.737 175.510 0.074 0.000 1.060 155 N CA 0.826 53.907 53.050 0.051 0.000 0.901 155 N CB 0.142 38.663 38.487 0.056 0.000 0.979 155 N HN 0.795 nan 8.380 nan 0.000 0.451 156 E N -0.650 119.645 120.200 0.159 0.000 2.378 156 E HA 0.332 4.683 4.350 0.002 0.000 0.265 156 E C -0.838 175.918 176.600 0.261 0.000 0.932 156 E CA -0.850 55.640 56.400 0.149 0.000 0.795 156 E CB 1.463 31.231 29.700 0.113 0.000 1.296 156 E HN -0.057 nan 8.360 nan 0.000 0.438 157 L N 0.924 122.153 121.223 0.011 0.000 2.375 157 L HA 0.457 4.798 4.340 0.002 0.000 0.268 157 L C -1.920 174.566 176.870 -0.639 0.000 1.058 157 L CA -2.123 52.529 54.840 -0.314 0.000 0.803 157 L CB 0.799 42.703 42.059 -0.258 0.000 1.212 157 L HN 0.495 nan 8.230 nan 0.000 0.451 158 P HA 0.078 nan 4.420 nan 0.000 0.273 158 P C -0.744 176.273 177.300 -0.472 0.000 1.250 158 P CA -0.479 62.006 63.100 -1.025 0.000 0.793 158 P CB 0.477 31.342 31.700 -1.392 0.000 1.011 159 E N -0.344 119.672 120.200 -0.307 0.000 2.425 159 E HA 0.053 4.404 4.350 0.002 0.000 0.258 159 E C 1.524 178.036 176.600 -0.147 0.000 1.151 159 E CA 0.058 56.356 56.400 -0.169 0.000 0.958 159 E CB 0.280 29.911 29.700 -0.116 0.000 0.968 159 E HN 0.456 nan 8.360 nan 0.000 0.451 160 A N 2.069 124.838 122.820 -0.084 0.000 1.892 160 A HA -0.191 4.130 4.320 0.002 0.000 0.218 160 A C 0.977 178.512 177.584 -0.081 0.000 1.188 160 A CA 1.761 53.764 52.037 -0.057 0.000 0.631 160 A CB 0.007 18.992 19.000 -0.024 0.000 0.822 160 A HN 0.451 nan 8.150 nan 0.000 0.447 161 D N -0.951 119.401 120.400 -0.080 0.000 2.623 161 D HA 0.207 4.848 4.640 0.002 0.000 0.252 161 D C 0.077 176.326 176.300 -0.086 0.000 1.294 161 D CA 0.049 53.999 54.000 -0.083 0.000 0.824 161 D CB 0.262 41.024 40.800 -0.063 0.000 1.070 161 D HN 0.265 nan 8.370 nan 0.000 0.487 162 S N -0.251 115.384 115.700 -0.109 0.000 2.569 162 S HA 0.016 4.487 4.470 0.002 0.000 0.274 162 S C 1.700 176.246 174.600 -0.090 0.000 1.353 162 S CA -0.136 58.000 58.200 -0.107 0.000 1.023 162 S CB 0.925 64.029 63.200 -0.161 0.000 0.876 162 S HN 0.136 nan 8.310 nan 0.000 0.540 163 S N 3.721 119.386 115.700 -0.059 0.000 2.370 163 S HA -0.100 4.371 4.470 0.002 0.000 0.226 163 S C 1.802 176.384 174.600 -0.030 0.000 1.033 163 S CA 0.861 59.041 58.200 -0.033 0.000 1.011 163 S CB -0.390 62.805 63.200 -0.008 0.000 0.852 163 S HN 0.659 nan 8.310 nan 0.000 0.457 164 L N 1.888 123.083 121.223 -0.047 0.000 2.265 164 L HA -0.009 4.332 4.340 0.002 0.000 0.215 164 L C 2.353 179.151 176.870 -0.119 0.000 1.117 164 L CA 1.360 56.185 54.840 -0.025 0.000 0.782 164 L CB -1.551 40.494 42.059 -0.023 0.000 0.914 164 L HN 0.425 nan 8.230 nan 0.000 0.441 165 E N -0.024 120.069 120.200 -0.178 0.000 2.160 165 E HA -0.215 4.136 4.350 0.002 0.000 0.195 165 E C 2.236 178.808 176.600 -0.048 0.000 0.991 165 E CA 1.215 57.533 56.400 -0.137 0.000 0.810 165 E CB 0.040 29.653 29.700 -0.146 0.000 0.742 165 E HN 0.501 nan 8.360 nan 0.000 0.466 166 A N 0.870 123.671 122.820 -0.031 0.000 1.972 166 A HA -0.161 4.160 4.320 0.002 0.000 0.219 166 A C 2.072 179.674 177.584 0.030 0.000 1.169 166 A CA 0.903 52.936 52.037 -0.008 0.000 0.635 166 A CB -0.301 18.697 19.000 -0.003 0.000 0.810 166 A HN 0.201 nan 8.150 nan 0.000 0.446 167 L N -1.717 119.557 121.223 0.085 0.000 2.068 167 L HA -0.028 4.313 4.340 0.002 0.000 0.204 167 L C 2.232 179.227 176.870 0.208 0.000 1.076 167 L CA 2.037 56.971 54.840 0.157 0.000 0.753 167 L CB -1.107 41.098 42.059 0.243 0.000 0.910 167 L HN 0.547 nan 8.230 nan 0.000 0.439 168 Y N 0.202 120.536 120.300 0.057 0.000 2.114 168 Y HA -0.313 4.238 4.550 0.001 0.000 0.282 168 Y C 1.846 177.698 175.900 -0.080 0.000 1.165 168 Y CA 1.726 59.816 58.100 -0.016 0.000 1.148 168 Y CB 0.071 38.332 38.460 -0.333 0.000 0.972 168 Y HN 0.281 nan 8.280 nan 0.000 0.504 169 D N -0.130 120.181 120.400 -0.149 0.000 2.378 169 D HA -0.063 4.578 4.640 0.002 0.000 0.227 169 D C 1.482 177.693 176.300 -0.149 0.000 1.012 169 D CA 0.795 54.648 54.000 -0.245 0.000 0.905 169 D CB -0.140 40.554 40.800 -0.177 0.000 0.895 169 D HN 0.334 nan 8.370 nan 0.000 0.532 170 R N -0.490 119.970 120.500 -0.066 0.000 2.432 170 R HA 0.275 4.616 4.340 0.002 0.000 0.260 170 R C 0.170 176.463 176.300 -0.013 0.000 0.935 170 R CA -0.003 56.080 56.100 -0.028 0.000 1.080 170 R CB 0.361 30.669 30.300 0.013 0.000 1.155 170 R HN -0.029 nan 8.270 nan 0.000 0.531 171 M N 1.429 121.011 119.600 -0.030 0.000 2.043 171 M HA 0.115 4.596 4.480 0.002 0.000 0.322 171 M C 0.120 176.387 176.300 -0.055 0.000 0.962 171 M CA -0.436 54.870 55.300 0.011 0.000 0.927 171 M CB 1.938 34.606 32.600 0.113 0.000 1.466 171 M HN 0.066 nan 8.290 nan 0.000 0.412 172 L N 4.693 125.891 121.223 -0.042 0.000 1.970 172 L HA 0.039 4.380 4.340 0.002 0.000 0.212 172 L C 0.499 177.315 176.870 -0.090 0.000 1.071 172 L CA 2.101 56.892 54.840 -0.080 0.000 0.751 172 L CB 0.057 42.090 42.059 -0.042 0.000 0.889 172 L HN 0.556 nan 8.230 nan 0.000 0.432 173 I N 0.131 120.692 120.570 -0.015 0.000 2.365 173 I HA 0.236 4.407 4.170 0.002 0.000 0.291 173 I C -0.211 175.940 176.117 0.057 0.000 1.004 173 I CA -0.266 61.043 61.300 0.014 0.000 1.311 173 I CB 0.924 38.957 38.000 0.054 0.000 1.401 173 I HN 0.071 nan 8.210 nan 0.000 0.491 174 R N 6.462 126.966 120.500 0.007 0.000 2.393 174 R HA 0.693 5.033 4.340 0.002 0.000 0.315 174 R C -1.403 175.144 176.300 0.412 0.000 0.952 174 R CA -0.375 55.761 56.100 0.059 0.000 0.842 174 R CB 1.386 31.280 30.300 -0.677 0.000 1.163 174 R HN 0.518 nan 8.270 nan 0.000 0.450 175 L N 2.480 123.961 121.223 0.430 0.000 2.349 175 L HA 0.464 4.804 4.340 0.002 0.000 0.278 175 L C -0.947 176.220 176.870 0.496 0.000 0.996 175 L CA -0.617 54.520 54.840 0.495 0.000 0.825 175 L CB 1.503 43.740 42.059 0.297 0.000 1.243 175 L HN 0.482 nan 8.230 nan 0.000 0.412 176 W N 5.513 127.039 121.300 0.376 0.000 2.308 176 W HA 0.448 5.109 4.660 0.001 0.000 0.311 176 W C -1.439 175.149 176.519 0.114 0.000 1.088 176 W CA -0.665 56.804 57.345 0.208 0.000 1.309 176 W CB 1.058 30.548 29.460 0.051 0.000 1.229 176 W HN 0.215 nan 8.180 nan 0.000 0.427 177 L N 5.088 126.605 121.223 0.490 0.000 2.332 177 L HA 0.531 4.872 4.340 0.002 0.000 0.269 177 L C 0.180 177.235 176.870 0.308 0.000 1.016 177 L CA -0.287 54.738 54.840 0.308 0.000 0.809 177 L CB 1.446 43.616 42.059 0.185 0.000 1.280 177 L HN 0.284 nan 8.230 nan 0.000 0.447 178 D N -0.866 119.646 120.400 0.186 0.000 2.596 178 D HA 0.252 4.893 4.640 0.002 0.000 0.262 178 D C -1.135 175.229 176.300 0.106 0.000 1.210 178 D CA -0.555 53.529 54.000 0.141 0.000 0.873 178 D CB 1.950 42.802 40.800 0.087 0.000 1.408 178 D HN 0.467 nan 8.370 nan 0.000 0.441 179 K N -0.333 120.119 120.400 0.086 0.000 2.440 179 K HA 0.245 4.566 4.320 0.002 0.000 0.270 179 K C 0.492 177.138 176.600 0.077 0.000 0.980 179 K CA -0.653 55.682 56.287 0.081 0.000 0.953 179 K CB 0.232 32.764 32.500 0.053 0.000 0.925 179 K HN 0.190 nan 8.250 nan 0.000 0.497 180 V N 0.336 120.318 119.914 0.113 0.000 2.617 180 V HA -0.071 4.050 4.120 0.002 0.000 0.304 180 V C 0.774 176.901 176.094 0.055 0.000 1.040 180 V CA -0.061 62.312 62.300 0.120 0.000 1.149 180 V CB 0.732 32.671 31.823 0.194 0.000 0.914 180 V HN 0.865 nan 8.190 nan 0.000 0.487 181 Q N 1.867 121.693 119.800 0.043 0.000 2.304 181 Q HA 0.126 4.467 4.340 0.002 0.000 0.204 181 Q C 0.563 176.565 176.000 0.002 0.000 0.936 181 Q CA 0.616 56.419 55.803 0.001 0.000 0.878 181 Q CB 0.078 28.815 28.738 -0.001 0.000 0.983 181 Q HN 1.030 nan 8.270 nan 0.000 0.516 182 D N 1.790 122.211 120.400 0.035 0.000 2.371 182 D HA -0.000 4.641 4.640 0.002 0.000 0.256 182 D C 1.048 177.380 176.300 0.055 0.000 1.193 182 D CA 0.185 54.207 54.000 0.037 0.000 0.881 182 D CB 0.938 41.769 40.800 0.051 0.000 1.143 182 D HN -0.076 nan 8.370 nan 0.000 0.473 183 K N 3.295 123.716 120.400 0.036 0.000 2.044 183 K HA -0.273 4.048 4.320 0.002 0.000 0.210 183 K C 1.707 178.360 176.600 0.088 0.000 1.049 183 K CA 1.587 57.912 56.287 0.063 0.000 0.927 183 K CB -0.101 32.416 32.500 0.029 0.000 0.713 183 K HN 0.522 nan 8.250 nan 0.000 0.443 184 A N 1.332 124.179 122.820 0.045 0.000 1.933 184 A HA -0.182 4.139 4.320 0.002 0.000 0.218 184 A C 1.790 179.359 177.584 -0.025 0.000 1.175 184 A CA 1.789 53.836 52.037 0.016 0.000 0.628 184 A CB -0.589 18.421 19.000 0.017 0.000 0.814 184 A HN 0.405 nan 8.150 nan 0.000 0.444 185 N N -1.051 117.648 118.700 -0.002 0.000 2.188 185 N HA -0.109 4.632 4.740 0.002 0.000 0.184 185 N C 1.388 176.797 175.510 -0.168 0.000 1.018 185 N CA 1.257 54.255 53.050 -0.087 0.000 0.858 185 N CB -0.584 37.944 38.487 0.070 0.000 0.989 185 N HN 0.509 nan 8.380 nan 0.000 0.426 186 F N 2.385 122.247 119.950 -0.148 0.000 2.126 186 F HA -0.095 4.433 4.527 0.002 0.000 0.299 186 F C 2.478 178.178 175.800 -0.166 0.000 1.096 186 F CA 1.357 59.279 58.000 -0.131 0.000 1.255 186 F CB -0.144 38.814 39.000 -0.070 0.000 0.997 186 F HN -0.077 nan 8.300 nan 0.000 0.479 187 R N -0.274 120.120 120.500 -0.176 0.000 2.092 187 R HA -0.114 4.227 4.340 0.002 0.000 0.231 187 R C 2.287 178.398 176.300 -0.315 0.000 1.119 187 R CA 1.603 57.556 56.100 -0.246 0.000 0.970 187 R CB -0.357 29.886 30.300 -0.094 0.000 0.864 187 R HN 0.304 nan 8.270 nan 0.000 0.440 188 S N 0.835 116.307 115.700 -0.379 0.000 2.371 188 S HA -0.128 4.343 4.470 0.002 0.000 0.224 188 S C 1.798 176.034 174.600 -0.606 0.000 1.029 188 S CA 1.148 59.071 58.200 -0.462 0.000 0.978 188 S CB -0.174 62.694 63.200 -0.554 0.000 0.833 188 S HN 0.357 nan 8.310 nan 0.000 0.466 189 M N 0.994 120.090 119.600 -0.840 0.000 2.175 189 M HA -0.025 4.456 4.480 0.002 0.000 0.264 189 M C 1.838 177.960 176.300 -0.297 0.000 1.063 189 M CA 1.393 56.406 55.300 -0.479 0.000 1.119 189 M CB -0.610 31.799 32.600 -0.318 0.000 1.377 189 M HN 0.275 nan 8.290 nan 0.000 0.415 190 L N 0.754 121.722 121.223 -0.424 0.000 2.093 190 L HA -0.096 4.245 4.340 0.002 0.000 0.208 190 L C 2.148 178.884 176.870 -0.225 0.000 1.085 190 L CA 2.149 56.755 54.840 -0.390 0.000 0.755 190 L CB -0.706 41.014 42.059 -0.565 0.000 0.904 190 L HN 0.538 nan 8.230 nan 0.000 0.435 191 T N -5.060 109.378 114.554 -0.194 0.000 3.134 191 T HA 0.155 4.506 4.350 0.002 0.000 0.260 191 T C 0.812 175.469 174.700 -0.071 0.000 1.027 191 T CA 0.006 62.035 62.100 -0.117 0.000 0.913 191 T CB -0.202 68.603 68.868 -0.106 0.000 1.046 191 T HN 0.100 nan 8.240 nan 0.000 0.553 192 S N 1.475 117.141 115.700 -0.057 0.000 2.443 192 S HA 0.140 4.611 4.470 0.002 0.000 0.284 192 S C 1.110 175.711 174.600 0.002 0.000 1.206 192 S CA -0.477 57.729 58.200 0.009 0.000 1.074 192 S CB 0.561 63.817 63.200 0.093 0.000 0.963 192 S HN 0.513 nan 8.310 nan 0.000 0.501 193 Q N 2.478 122.278 119.800 -0.000 0.000 2.482 193 Q HA -0.004 4.337 4.340 0.002 0.000 0.209 193 Q C 0.467 176.462 176.000 -0.007 0.000 0.961 193 Q CA 0.151 55.950 55.803 -0.008 0.000 0.945 193 Q CB 0.076 28.807 28.738 -0.011 0.000 1.012 193 Q HN 0.758 nan 8.270 nan 0.000 0.515 194 Q N 2.059 121.861 119.800 0.002 0.000 2.239 194 Q HA -0.116 4.225 4.340 0.002 0.000 0.286 194 Q C -0.627 175.365 176.000 -0.013 0.000 1.102 194 Q CA 0.337 56.135 55.803 -0.007 0.000 0.936 194 Q CB 0.407 29.147 28.738 0.003 0.000 1.127 194 Q HN 0.004 nan 8.270 nan 0.000 0.380 195 D N 4.072 124.457 120.400 -0.025 0.000 2.342 195 D HA -0.075 4.566 4.640 0.002 0.000 0.260 195 D C 0.510 176.795 176.300 -0.026 0.000 1.278 195 D CA 0.052 54.037 54.000 -0.024 0.000 0.910 195 D CB 0.782 41.564 40.800 -0.031 0.000 1.079 195 D HN 0.827 nan 8.370 nan 0.000 0.496 196 E N 3.132 123.326 120.200 -0.009 0.000 2.409 196 E HA -0.160 4.191 4.350 0.002 0.000 0.198 196 E C 0.107 176.723 176.600 0.027 0.000 1.024 196 E CA 0.503 56.904 56.400 0.002 0.000 0.861 196 E CB 0.006 29.710 29.700 0.006 0.000 0.788 196 E HN 0.315 nan 8.360 nan 0.000 0.521 197 N N 0.982 119.699 118.700 0.029 0.000 2.205 197 N HA 0.069 4.810 4.740 0.002 0.000 0.201 197 N C -0.636 174.915 175.510 0.069 0.000 1.128 197 N CA -0.019 53.084 53.050 0.089 0.000 0.867 197 N CB 0.413 38.941 38.487 0.067 0.000 0.996 197 N HN 0.078 nan 8.380 nan 0.000 0.503 198 D N 0.295 120.654 120.400 -0.069 0.000 2.225 198 D HA 0.046 4.687 4.640 0.002 0.000 0.249 198 D C 0.075 176.040 176.300 -0.559 0.000 1.052 198 D CA -0.271 53.606 54.000 -0.206 0.000 0.909 198 D CB 0.857 41.572 40.800 -0.143 0.000 1.186 198 D HN 0.043 nan 8.370 nan 0.000 0.431 199 N N 2.384 120.596 118.700 -0.813 0.000 2.416 199 N HA 0.018 4.759 4.740 0.002 0.000 0.271 199 N C -1.670 173.524 175.510 -0.527 0.000 1.245 199 N CA -1.090 51.273 53.050 -1.146 0.000 0.940 199 N CB 0.789 38.845 38.487 -0.719 0.000 1.175 199 N HN 0.138 nan 8.380 nan 0.000 0.483 200 P HA 0.087 nan 4.420 nan 0.000 0.261 200 P C -0.378 176.836 177.300 -0.144 0.000 1.268 200 P CA 0.118 63.088 63.100 -0.216 0.000 0.833 200 P CB 0.444 32.046 31.700 -0.163 0.000 1.231 201 V N 2.818 122.646 119.914 -0.144 0.000 2.406 201 V HA 0.269 4.390 4.120 0.002 0.000 0.272 201 V C -2.216 173.849 176.094 -0.049 0.000 1.043 201 V CA -1.960 60.302 62.300 -0.064 0.000 0.915 201 V CB 0.826 32.644 31.823 -0.008 0.000 0.988 201 V HN -0.040 nan 8.190 nan 0.000 0.466 202 P HA 0.117 nan 4.420 nan 0.000 0.265 202 P C 0.279 177.577 177.300 -0.003 0.000 1.193 202 P CA -0.033 63.055 63.100 -0.021 0.000 0.765 202 P CB 0.600 32.290 31.700 -0.016 0.000 0.823 203 D N 2.818 123.219 120.400 0.002 0.000 2.157 203 D HA -0.258 4.383 4.640 0.002 0.000 0.191 203 D C 1.954 178.268 176.300 0.023 0.000 1.004 203 D CA 2.310 56.320 54.000 0.017 0.000 0.854 203 D CB -0.606 40.203 40.800 0.016 0.000 0.936 203 D HN 0.423 nan 8.370 nan 0.000 0.446 204 A N -0.094 122.738 122.820 0.020 0.000 1.978 204 A HA -0.127 4.193 4.320 0.002 0.000 0.220 204 A C 2.233 179.839 177.584 0.038 0.000 1.170 204 A CA 1.020 53.074 52.037 0.028 0.000 0.636 204 A CB -0.568 18.447 19.000 0.024 0.000 0.810 204 A HN 0.265 nan 8.150 nan 0.000 0.448 205 L N -0.910 120.330 121.223 0.028 0.000 2.209 205 L HA -0.037 4.304 4.340 0.002 0.000 0.207 205 L C 0.872 177.762 176.870 0.033 0.000 1.094 205 L CA 0.018 54.877 54.840 0.032 0.000 0.790 205 L CB -0.513 41.552 42.059 0.010 0.000 0.932 205 L HN 0.430 nan 8.230 nan 0.000 0.447 206 Q N 1.493 121.307 119.800 0.022 0.000 2.308 206 Q HA 0.001 4.342 4.340 0.002 0.000 0.313 206 Q C -0.124 175.890 176.000 0.023 0.000 1.075 206 Q CA -0.070 55.739 55.803 0.009 0.000 0.995 206 Q CB 0.976 29.741 28.738 0.044 0.000 1.107 206 Q HN 0.186 nan 8.270 nan 0.000 0.380 207 V N 1.701 121.602 119.914 -0.022 0.000 2.583 207 V HA 0.332 4.453 4.120 0.002 0.000 0.287 207 V C 0.309 176.452 176.094 0.081 0.000 1.051 207 V CA -0.229 62.094 62.300 0.039 0.000 1.010 207 V CB 1.274 33.154 31.823 0.094 0.000 0.988 207 V HN 0.873 nan 8.190 nan 0.000 0.478 208 T N 1.820 116.384 114.554 0.017 0.000 2.874 208 T HA 0.312 4.663 4.350 0.002 0.000 0.281 208 T C 0.672 175.393 174.700 0.035 0.000 0.994 208 T CA -0.045 62.070 62.100 0.026 0.000 1.015 208 T CB 1.207 70.068 68.868 -0.012 0.000 1.028 208 T HN 0.735 nan 8.240 nan 0.000 0.523 209 D N 0.385 120.811 120.400 0.042 0.000 2.123 209 D HA -0.140 4.501 4.640 0.002 0.000 0.196 209 D C 1.756 178.069 176.300 0.021 0.000 0.992 209 D CA 1.484 55.513 54.000 0.049 0.000 0.833 209 D CB -0.221 40.589 40.800 0.016 0.000 0.954 209 D HN 0.886 nan 8.370 nan 0.000 0.455 210 E N 0.611 120.792 120.200 -0.031 0.000 2.118 210 E HA -0.206 4.145 4.350 0.002 0.000 0.195 210 E C 1.775 178.269 176.600 -0.177 0.000 0.992 210 E CA 1.027 57.386 56.400 -0.069 0.000 0.804 210 E CB 0.158 29.826 29.700 -0.054 0.000 0.741 210 E HN 0.337 nan 8.360 nan 0.000 0.458 211 E N -0.614 119.408 120.200 -0.297 0.000 2.046 211 E HA -0.191 4.160 4.350 0.002 0.000 0.190 211 E C 1.877 177.916 176.600 -0.936 0.000 0.982 211 E CA 1.017 56.954 56.400 -0.772 0.000 0.800 211 E CB -0.268 28.876 29.700 -0.926 0.000 0.756 211 E HN 0.325 nan 8.360 nan 0.000 0.449 212 Y N 2.300 122.304 120.300 -0.493 0.000 2.081 212 Y HA -0.279 4.272 4.550 0.001 0.000 0.280 212 Y C 2.112 177.996 175.900 -0.027 0.000 1.163 212 Y CA 1.777 59.815 58.100 -0.104 0.000 1.135 212 Y CB 0.093 38.613 38.460 0.099 0.000 0.970 212 Y HN -0.041 nan 8.280 nan 0.000 0.498 213 E N 0.163 120.343 120.200 -0.033 0.000 2.106 213 E HA -0.210 4.141 4.350 0.002 0.000 0.192 213 E C 2.319 178.853 176.600 -0.109 0.000 0.984 213 E CA 1.215 57.577 56.400 -0.064 0.000 0.806 213 E CB -0.455 29.259 29.700 0.023 0.000 0.750 213 E HN 0.526 nan 8.360 nan 0.000 0.458 214 R N 0.028 120.448 120.500 -0.133 0.000 2.081 214 R HA -0.131 4.210 4.340 0.002 0.000 0.235 214 R C 2.065 178.383 176.300 0.030 0.000 1.131 214 R CA 1.370 57.429 56.100 -0.068 0.000 0.960 214 R CB -0.112 30.143 30.300 -0.075 0.000 0.856 214 R HN 0.153 nan 8.270 nan 0.000 0.436 215 W N 1.187 122.451 121.300 -0.061 0.000 2.363 215 W HA -0.116 4.545 4.660 0.002 0.000 0.296 215 W C 2.124 178.445 176.519 -0.330 0.000 1.212 215 W CA 0.316 57.566 57.345 -0.158 0.000 1.260 215 W CB -0.915 28.641 29.460 0.160 0.000 1.131 215 W HN 0.215 nan 8.180 nan 0.000 0.530 216 Q N 0.529 120.281 119.800 -0.080 0.000 2.112 216 Q HA -0.207 4.134 4.340 0.002 0.000 0.206 216 Q C 2.077 177.990 176.000 -0.146 0.000 0.987 216 Q CA 1.824 57.531 55.803 -0.160 0.000 0.858 216 Q CB -0.885 27.723 28.738 -0.218 0.000 0.905 216 Q HN 0.425 nan 8.270 nan 0.000 0.420 217 K N 0.888 121.213 120.400 -0.125 0.000 2.031 217 K HA -0.126 4.195 4.320 0.002 0.000 0.205 217 K C 1.748 178.243 176.600 -0.175 0.000 1.049 217 K CA 1.164 57.382 56.287 -0.115 0.000 0.939 217 K CB 0.076 32.532 32.500 -0.073 0.000 0.717 217 K HN 0.159 nan 8.250 nan 0.000 0.438 218 E N 0.593 120.642 120.200 -0.252 0.000 2.106 218 E HA -0.129 4.222 4.350 0.002 0.000 0.192 218 E C 2.033 178.251 176.600 -0.637 0.000 0.984 218 E CA 1.026 57.181 56.400 -0.408 0.000 0.806 218 E CB -0.065 29.367 29.700 -0.445 0.000 0.750 218 E HN 0.325 nan 8.360 nan 0.000 0.458 219 I N 0.757 120.886 120.570 -0.736 0.000 2.264 219 I HA -0.226 3.945 4.170 0.002 0.000 0.248 219 I C 2.408 178.357 176.117 -0.279 0.000 1.111 219 I CA 1.273 62.232 61.300 -0.568 0.000 1.382 219 I CB -0.337 37.437 38.000 -0.378 0.000 1.060 219 I HN 0.169 nan 8.210 nan 0.000 0.418 220 G N -0.221 108.453 108.800 -0.210 0.000 2.509 220 G HA2 -0.180 3.781 3.960 0.002 0.000 0.218 220 G HA3 -0.180 3.781 3.960 0.002 0.000 0.218 220 G C 1.438 176.275 174.900 -0.105 0.000 1.124 220 G CA 0.371 45.397 45.100 -0.124 0.000 0.776 220 G HN 0.424 nan 8.290 nan 0.000 0.547 221 E N -0.382 119.740 120.200 -0.130 0.000 2.474 221 E HA 0.138 4.489 4.350 0.002 0.000 0.194 221 E C 0.375 176.940 176.600 -0.060 0.000 1.041 221 E CA -0.482 55.867 56.400 -0.084 0.000 0.874 221 E CB 0.319 29.973 29.700 -0.077 0.000 0.914 221 E HN 0.228 nan 8.360 nan 0.000 0.498 222 I N 3.058 123.584 120.570 -0.073 0.000 2.668 222 I HA -0.049 4.122 4.170 0.002 0.000 0.285 222 I C 1.129 177.239 176.117 -0.013 0.000 1.168 222 I CA 0.505 61.791 61.300 -0.023 0.000 1.424 222 I CB -0.079 37.912 38.000 -0.014 0.000 1.377 222 I HN 0.057 nan 8.210 nan 0.000 0.560 223 T N 5.230 119.786 114.554 0.003 0.000 2.788 223 T HA 0.371 4.722 4.350 0.002 0.000 0.287 223 T C -0.036 174.670 174.700 0.010 0.000 1.007 223 T CA -0.806 61.294 62.100 -0.000 0.000 1.005 223 T CB 1.896 70.766 68.868 0.003 0.000 1.012 223 T HN 0.415 nan 8.240 nan 0.000 0.530 224 L N 2.424 123.648 121.223 0.003 0.000 2.417 224 L HA 0.416 4.757 4.340 0.002 0.000 0.259 224 L C -2.514 174.370 176.870 0.023 0.000 1.023 224 L CA -1.955 52.897 54.840 0.021 0.000 0.901 224 L CB 0.905 42.974 42.059 0.017 0.000 1.227 224 L HN 0.633 nan 8.230 nan 0.000 0.454 225 P HA 0.100 nan 4.420 nan 0.000 0.268 225 P C 0.384 177.731 177.300 0.078 0.000 1.208 225 P CA -0.204 62.926 63.100 0.050 0.000 0.777 225 P CB 0.939 32.677 31.700 0.063 0.000 0.875 226 D N -0.312 120.134 120.400 0.077 0.000 2.116 226 D HA -0.217 4.424 4.640 0.002 0.000 0.193 226 D C 1.646 178.037 176.300 0.152 0.000 0.998 226 D CA 1.497 55.563 54.000 0.109 0.000 0.836 226 D CB -0.665 40.179 40.800 0.074 0.000 0.951 226 D HN 0.604 nan 8.370 nan 0.000 0.449 227 H N 0.536 119.625 119.070 0.032 0.000 2.387 227 H HA -0.075 4.482 4.556 0.002 0.000 0.299 227 H C 1.975 177.293 175.328 -0.017 0.000 1.090 227 H CA 1.028 57.075 56.048 -0.002 0.000 1.332 227 H CB 0.213 29.955 29.762 -0.035 0.000 1.386 227 H HN -0.045 nan 8.280 nan 0.000 0.516 228 V N 0.970 120.837 119.914 -0.078 0.000 2.307 228 V HA -0.241 3.880 4.120 0.002 0.000 0.245 228 V C 2.416 178.463 176.094 -0.079 0.000 1.045 228 V CA 1.854 64.077 62.300 -0.128 0.000 1.024 228 V CB -1.026 30.788 31.823 -0.014 0.000 0.651 228 V HN 0.331 nan 8.190 nan 0.000 0.449 229 F N 1.465 121.351 119.950 -0.107 0.000 2.095 229 F HA -0.182 4.346 4.527 0.002 0.000 0.298 229 F C 2.500 178.245 175.800 -0.091 0.000 1.104 229 F CA 1.973 59.918 58.000 -0.092 0.000 1.232 229 F CB -0.352 38.596 39.000 -0.085 0.000 0.987 229 F HN 0.114 nan 8.300 nan 0.000 0.475 230 E N 0.789 120.866 120.200 -0.206 0.000 2.097 230 E HA -0.236 4.115 4.350 0.002 0.000 0.196 230 E C 2.431 178.854 176.600 -0.295 0.000 1.000 230 E CA 1.676 57.916 56.400 -0.266 0.000 0.804 230 E CB -0.790 28.861 29.700 -0.081 0.000 0.740 230 E HN 0.492 nan 8.360 nan 0.000 0.454 231 L N 0.171 121.198 121.223 -0.328 0.000 2.027 231 L HA -0.152 4.189 4.340 0.002 0.000 0.206 231 L C 2.599 179.307 176.870 -0.270 0.000 1.074 231 L CA 0.823 55.484 54.840 -0.299 0.000 0.745 231 L CB -0.419 41.431 42.059 -0.349 0.000 0.898 231 L HN 0.084 nan 8.230 nan 0.000 0.433 232 I N -0.802 119.594 120.570 -0.291 0.000 2.118 232 I HA -0.375 3.796 4.170 0.002 0.000 0.241 232 I C 2.481 178.299 176.117 -0.498 0.000 1.070 232 I CA 1.738 62.843 61.300 -0.326 0.000 1.327 232 I CB -0.348 37.488 38.000 -0.274 0.000 1.034 232 I HN 0.130 nan 8.210 nan 0.000 0.405 233 F N 0.605 120.094 119.950 -0.769 0.000 2.171 233 F HA -0.237 4.291 4.527 0.002 0.000 0.300 233 F C 2.540 178.064 175.800 -0.460 0.000 1.090 233 F CA 1.506 59.064 58.000 -0.737 0.000 1.293 233 F CB -0.154 38.263 39.000 -0.971 0.000 1.013 233 F HN -0.056 nan 8.300 nan 0.000 0.486 234 M N -0.616 118.840 119.600 -0.241 0.000 2.080 234 M HA -0.226 4.255 4.480 0.002 0.000 0.260 234 M C 2.240 178.389 176.300 -0.251 0.000 1.068 234 M CA 1.751 56.922 55.300 -0.214 0.000 1.109 234 M CB -0.475 32.002 32.600 -0.204 0.000 1.342 234 M HN 0.368 nan 8.290 nan 0.000 0.405 235 L N 0.190 121.272 121.223 -0.235 0.000 2.056 235 L HA -0.194 4.147 4.340 0.002 0.000 0.207 235 L C 2.481 179.277 176.870 -0.122 0.000 1.078 235 L CA 1.805 56.569 54.840 -0.127 0.000 0.749 235 L CB -0.693 41.352 42.059 -0.024 0.000 0.901 235 L HN 0.232 nan 8.230 nan 0.000 0.433 236 R N -1.122 119.179 120.500 -0.333 0.000 2.091 236 R HA -0.189 4.152 4.340 0.002 0.000 0.238 236 R C 2.247 178.370 176.300 -0.296 0.000 1.136 236 R CA 1.754 57.645 56.100 -0.347 0.000 0.959 236 R CB -0.186 29.599 30.300 -0.859 0.000 0.856 236 R HN 0.501 nan 8.270 nan 0.000 0.437 237 Q N 0.108 119.641 119.800 -0.445 0.000 2.020 237 Q HA -0.196 4.145 4.340 0.002 0.000 0.202 237 Q C 2.160 178.070 176.000 -0.150 0.000 0.982 237 Q CA 1.238 56.851 55.803 -0.316 0.000 0.838 237 Q CB -0.275 28.259 28.738 -0.340 0.000 0.899 237 Q HN 0.444 nan 8.270 nan 0.000 0.423 238 Q N 0.539 120.262 119.800 -0.128 0.000 2.045 238 Q HA -0.150 4.191 4.340 0.002 0.000 0.206 238 Q C 2.376 178.368 176.000 -0.014 0.000 0.991 238 Q CA 1.235 57.002 55.803 -0.060 0.000 0.851 238 Q CB -0.420 28.283 28.738 -0.058 0.000 0.911 238 Q HN 0.399 nan 8.270 nan 0.000 0.418 239 L N 0.436 121.666 121.223 0.012 0.000 2.012 239 L HA -0.247 4.094 4.340 0.002 0.000 0.210 239 L C 2.248 179.149 176.870 0.052 0.000 1.073 239 L CA 1.548 56.422 54.840 0.057 0.000 0.748 239 L CB -0.570 41.555 42.059 0.111 0.000 0.891 239 L HN 0.229 nan 8.230 nan 0.000 0.431 240 D N 0.196 120.613 120.400 0.028 0.000 2.116 240 D HA -0.203 4.438 4.640 0.002 0.000 0.193 240 D C 2.180 178.497 176.300 0.029 0.000 0.998 240 D CA 1.403 55.423 54.000 0.033 0.000 0.836 240 D CB 0.110 40.905 40.800 -0.008 0.000 0.951 240 D HN 0.152 nan 8.370 nan 0.000 0.449 241 K N -0.610 119.795 120.400 0.009 0.000 2.097 241 K HA -0.028 4.293 4.320 0.002 0.000 0.205 241 K C 0.458 177.073 176.600 0.025 0.000 1.050 241 K CA 0.329 56.623 56.287 0.012 0.000 0.938 241 K CB -0.061 32.439 32.500 -0.000 0.000 0.718 241 K HN 0.237 nan 8.250 nan 0.000 0.442 242 L N 2.358 123.600 121.223 0.033 0.000 2.360 242 L HA 0.066 4.407 4.340 0.002 0.000 0.276 242 L C -1.700 175.203 176.870 0.054 0.000 1.121 242 L CA -1.518 53.347 54.840 0.042 0.000 0.845 242 L CB 0.580 42.666 42.059 0.046 0.000 1.143 242 L HN -0.077 nan 8.230 nan 0.000 0.452 243 P HA -0.083 nan 4.420 nan 0.000 0.217 243 P C 0.482 177.825 177.300 0.071 0.000 1.151 243 P CA 0.907 64.040 63.100 0.056 0.000 0.828 243 P CB 0.218 31.944 31.700 0.043 0.000 0.788 244 D N -0.012 120.429 120.400 0.068 0.000 2.224 244 D HA 0.045 4.686 4.640 0.002 0.000 0.205 244 D C 0.922 177.284 176.300 0.103 0.000 0.965 244 D CA 0.378 54.425 54.000 0.078 0.000 0.852 244 D CB -0.803 40.033 40.800 0.059 0.000 0.947 244 D HN 0.108 nan 8.370 nan 0.000 0.494 245 A N 1.986 124.866 122.820 0.101 0.000 2.565 245 A HA 0.214 4.535 4.320 0.002 0.000 0.237 245 A C -1.895 175.792 177.584 0.170 0.000 1.053 245 A CA -0.885 51.223 52.037 0.119 0.000 0.755 245 A CB -0.166 18.894 19.000 0.100 0.000 0.980 245 A HN 0.039 nan 8.150 nan 0.000 0.506 246 P HA 0.035 nan 4.420 nan 0.000 0.271 246 P C -0.733 176.689 177.300 0.203 0.000 1.218 246 P CA 0.104 63.399 63.100 0.325 0.000 0.780 246 P CB 0.286 32.217 31.700 0.386 0.000 0.901 247 Y N 3.334 123.673 120.300 0.064 0.000 2.496 247 Y HA 0.214 4.765 4.550 0.002 0.000 0.334 247 Y C -0.575 175.288 175.900 -0.061 0.000 1.080 247 Y CA -0.046 58.052 58.100 -0.004 0.000 1.355 247 Y CB 0.223 38.655 38.460 -0.047 0.000 1.193 247 Y HN 0.056 nan 8.280 nan 0.000 0.523 248 V N 7.512 127.030 119.914 -0.659 0.000 2.334 248 V HA 0.271 4.392 4.120 0.002 0.000 0.281 248 V C -0.009 175.540 176.094 -0.908 0.000 1.016 248 V CA -0.634 61.216 62.300 -0.750 0.000 0.832 248 V CB 0.699 32.082 31.823 -0.733 0.000 0.999 248 V HN 0.916 nan 8.190 nan 0.000 0.439 249 S N 2.262 117.451 115.700 -0.852 0.000 2.600 249 S HA 0.157 4.628 4.470 0.002 0.000 0.265 249 S C 0.725 175.272 174.600 -0.089 0.000 1.325 249 S CA -0.409 57.530 58.200 -0.434 0.000 1.002 249 S CB 0.985 64.096 63.200 -0.148 0.000 0.921 249 S HN 0.647 nan 8.310 nan 0.000 0.554 250 D N 0.724 121.185 120.400 0.101 0.000 2.144 250 D HA -0.102 4.539 4.640 0.002 0.000 0.199 250 D C 1.967 178.348 176.300 0.136 0.000 0.984 250 D CA 1.019 55.146 54.000 0.211 0.000 0.834 250 D CB -0.331 40.558 40.800 0.149 0.000 0.955 250 D HN 0.635 nan 8.370 nan 0.000 0.465 251 R N 0.860 121.389 120.500 0.049 0.000 2.083 251 R HA -0.153 4.188 4.340 0.002 0.000 0.237 251 R C 2.233 178.520 176.300 -0.023 0.000 1.137 251 R CA 1.414 57.524 56.100 0.016 0.000 0.951 251 R CB -0.075 30.222 30.300 -0.005 0.000 0.851 251 R HN 0.067 nan 8.270 nan 0.000 0.434 252 R N -0.386 120.044 120.500 -0.117 0.000 2.073 252 R HA -0.168 4.173 4.340 0.002 0.000 0.234 252 R C 2.136 178.332 176.300 -0.174 0.000 1.134 252 R CA 2.274 58.239 56.100 -0.226 0.000 0.952 252 R CB -0.519 29.531 30.300 -0.417 0.000 0.850 252 R HN 0.332 nan 8.270 nan 0.000 0.433 253 W N 0.825 122.079 121.300 -0.077 0.000 2.335 253 W HA -0.171 4.489 4.660 0.001 0.000 0.311 253 W C 2.452 178.959 176.519 -0.019 0.000 1.213 253 W CA 1.214 58.530 57.345 -0.048 0.000 1.274 253 W CB -0.134 29.302 29.460 -0.040 0.000 1.148 253 W HN 0.142 nan 8.180 nan 0.000 0.498 254 K N 0.872 121.402 120.400 0.216 0.000 2.057 254 K HA -0.201 4.120 4.320 0.002 0.000 0.207 254 K C 1.828 178.476 176.600 0.079 0.000 1.049 254 K CA 1.506 57.870 56.287 0.129 0.000 0.931 254 K CB -0.164 32.389 32.500 0.088 0.000 0.714 254 K HN 0.064 nan 8.250 nan 0.000 0.440 255 K N -0.076 120.350 120.400 0.043 0.000 2.097 255 K HA -0.057 4.264 4.320 0.002 0.000 0.205 255 K C 2.034 178.643 176.600 0.014 0.000 1.050 255 K CA 1.079 57.375 56.287 0.014 0.000 0.938 255 K CB -0.085 32.406 32.500 -0.015 0.000 0.718 255 K HN 0.163 nan 8.250 nan 0.000 0.442 256 A N 1.025 123.854 122.820 0.014 0.000 1.940 256 A HA -0.177 4.144 4.320 0.002 0.000 0.219 256 A C 2.027 179.654 177.584 0.071 0.000 1.176 256 A CA 1.411 53.463 52.037 0.026 0.000 0.631 256 A CB -0.454 18.555 19.000 0.014 0.000 0.814 256 A HN 0.142 nan 8.150 nan 0.000 0.446 257 I N -0.544 120.090 120.570 0.106 0.000 2.315 257 I HA -0.166 4.005 4.170 0.002 0.000 0.248 257 I C 2.466 178.614 176.117 0.051 0.000 1.117 257 I CA 1.429 62.786 61.300 0.096 0.000 1.404 257 I CB -0.402 37.666 38.000 0.113 0.000 1.071 257 I HN 0.366 nan 8.210 nan 0.000 0.419 258 R N 0.042 120.563 120.500 0.035 0.000 2.096 258 R HA -0.183 4.158 4.340 0.002 0.000 0.235 258 R C 2.291 178.597 176.300 0.010 0.000 1.127 258 R CA 1.370 57.478 56.100 0.013 0.000 0.968 258 R CB -0.361 29.944 30.300 0.008 0.000 0.861 258 R HN 0.244 nan 8.270 nan 0.000 0.440 259 L N 0.787 122.017 121.223 0.011 0.000 2.046 259 L HA -0.165 4.176 4.340 0.002 0.000 0.208 259 L C 1.968 178.833 176.870 -0.009 0.000 1.077 259 L CA 1.440 56.276 54.840 -0.007 0.000 0.747 259 L CB -0.443 41.608 42.059 -0.013 0.000 0.896 259 L HN 0.182 nan 8.230 nan 0.000 0.432 260 L N -0.713 120.522 121.223 0.020 0.000 2.012 260 L HA -0.282 4.059 4.340 0.002 0.000 0.210 260 L C 2.606 179.498 176.870 0.037 0.000 1.073 260 L CA 1.785 56.648 54.840 0.038 0.000 0.748 260 L CB -0.969 41.124 42.059 0.058 0.000 0.891 260 L HN 0.399 nan 8.230 nan 0.000 0.431 261 Q N -1.451 118.364 119.800 0.024 0.000 2.050 261 Q HA -0.212 4.129 4.340 0.002 0.000 0.202 261 Q C 2.337 178.345 176.000 0.014 0.000 0.980 261 Q CA 1.700 57.509 55.803 0.011 0.000 0.840 261 Q CB -0.335 28.389 28.738 -0.023 0.000 0.898 261 Q HN 0.592 nan 8.270 nan 0.000 0.424 262 A N 0.358 123.184 122.820 0.010 0.000 1.883 262 A HA -0.247 4.074 4.320 0.002 0.000 0.217 262 A C 2.189 179.844 177.584 0.119 0.000 1.186 262 A CA 1.816 53.895 52.037 0.069 0.000 0.624 262 A CB -0.989 18.081 19.000 0.118 0.000 0.822 262 A HN 0.341 nan 8.150 nan 0.000 0.444 263 S N -0.396 115.296 115.700 -0.014 0.000 2.369 263 S HA -0.189 4.282 4.470 0.002 0.000 0.225 263 S C 2.231 176.965 174.600 0.223 0.000 1.043 263 S CA 2.161 60.361 58.200 0.001 0.000 1.074 263 S CB -0.648 62.577 63.200 0.041 0.000 0.962 263 S HN 0.950 nan 8.310 nan 0.000 0.433 264 A N 0.715 123.622 122.820 0.145 0.000 1.873 264 A HA -0.087 4.234 4.320 0.002 0.000 0.218 264 A C 2.041 179.679 177.584 0.090 0.000 1.193 264 A CA 1.991 54.103 52.037 0.125 0.000 0.629 264 A CB -1.305 17.751 19.000 0.094 0.000 0.826 264 A HN 0.681 nan 8.150 nan 0.000 0.447 265 F N -0.265 119.601 119.950 -0.141 0.000 2.069 265 F HA -0.169 4.358 4.527 0.002 0.000 0.298 265 F C 1.646 177.224 175.800 -0.371 0.000 1.113 265 F CA 1.688 59.485 58.000 -0.338 0.000 1.214 265 F CB -0.462 38.185 39.000 -0.590 0.000 0.978 265 F HN 0.189 nan 8.300 nan 0.000 0.474 266 F N -0.280 119.621 119.950 -0.083 0.000 2.802 266 F HA 0.070 4.598 4.527 0.002 0.000 0.300 266 F C 2.131 177.916 175.800 -0.024 0.000 1.168 266 F CA 0.613 58.521 58.000 -0.153 0.000 1.433 266 F CB -0.762 38.281 39.000 0.072 0.000 1.115 266 F HN -0.127 nan 8.300 nan 0.000 0.582 267 S N -0.722 115.062 115.700 0.141 0.000 2.568 267 S HA 0.346 4.817 4.470 0.002 0.000 0.232 267 S C 1.538 176.132 174.600 -0.009 0.000 0.975 267 S CA 0.448 58.699 58.200 0.085 0.000 0.949 267 S CB 0.022 63.315 63.200 0.155 0.000 0.829 267 S HN 0.498 nan 8.310 nan 0.000 0.479 268 G N 2.292 111.026 108.800 -0.110 0.000 2.137 268 G HA2 -0.232 3.729 3.960 0.002 0.000 0.237 268 G HA3 -0.232 3.729 3.960 0.002 0.000 0.237 268 G C -0.095 174.792 174.900 -0.021 0.000 1.002 268 G CA -0.284 44.748 45.100 -0.113 0.000 0.702 268 G HN 0.441 nan 8.290 nan 0.000 0.515 269 R N -0.532 119.952 120.500 -0.027 0.000 2.778 269 R HA 0.622 4.963 4.340 0.002 0.000 0.277 269 R C 1.201 177.525 176.300 0.039 0.000 0.977 269 R CA -0.128 55.992 56.100 0.033 0.000 0.950 269 R CB 1.378 31.713 30.300 0.057 0.000 1.165 269 R HN 0.327 nan 8.270 nan 0.000 0.474 270 S N -0.665 115.070 115.700 0.059 0.000 2.556 270 S HA 0.294 4.765 4.470 0.002 0.000 0.216 270 S C 0.362 174.997 174.600 0.058 0.000 0.970 270 S CA -0.349 57.892 58.200 0.068 0.000 0.912 270 S CB 0.705 63.943 63.200 0.063 0.000 0.790 270 S HN 0.612 nan 8.310 nan 0.000 0.504 271 A N 1.007 123.862 122.820 0.058 0.000 2.486 271 A HA 0.683 5.004 4.320 0.002 0.000 0.300 271 A C -0.419 177.202 177.584 0.062 0.000 1.048 271 A CA -0.723 51.346 52.037 0.053 0.000 0.696 271 A CB 1.297 20.326 19.000 0.049 0.000 1.278 271 A HN 0.216 nan 8.150 nan 0.000 0.405 272 V N 1.604 121.551 119.914 0.056 0.000 2.557 272 V HA 0.335 4.456 4.120 0.002 0.000 0.301 272 V C 1.005 177.138 176.094 0.066 0.000 1.026 272 V CA 0.891 63.228 62.300 0.063 0.000 1.137 272 V CB 0.268 32.123 31.823 0.053 0.000 0.917 272 V HN 1.191 nan 8.190 nan 0.000 0.484 273 A N 6.869 129.739 122.820 0.084 0.000 2.294 273 A HA 0.749 5.070 4.320 0.002 0.000 0.330 273 A C -1.490 176.129 177.584 0.058 0.000 1.133 273 A CA -1.803 50.290 52.037 0.094 0.000 0.836 273 A CB 0.950 20.043 19.000 0.154 0.000 1.190 273 A HN 0.636 nan 8.150 nan 0.000 0.492 274 P HA -0.156 nan 4.420 nan 0.000 0.218 274 P C 1.468 178.764 177.300 -0.006 0.000 1.146 274 P CA 1.184 64.170 63.100 -0.191 0.000 0.813 274 P CB 0.148 31.442 31.700 -0.678 0.000 0.778 275 V N 0.204 120.273 119.914 0.259 0.000 2.515 275 V HA -0.214 3.907 4.120 0.002 0.000 0.250 275 V C 1.653 177.875 176.094 0.214 0.000 1.058 275 V CA 2.067 64.611 62.300 0.408 0.000 1.064 275 V CB -1.012 31.107 31.823 0.493 0.000 0.675 275 V HN 0.057 nan 8.190 nan 0.000 0.461 276 D N 0.002 120.499 120.400 0.161 0.000 2.182 276 D HA -0.174 4.467 4.640 0.002 0.000 0.201 276 D C 1.950 178.296 176.300 0.076 0.000 0.986 276 D CA 1.210 55.284 54.000 0.123 0.000 0.847 276 D CB -0.138 40.726 40.800 0.106 0.000 0.942 276 D HN 0.380 nan 8.370 nan 0.000 0.467 277 L N 0.796 122.050 121.223 0.053 0.000 2.187 277 L HA -0.129 4.212 4.340 0.002 0.000 0.213 277 L C 2.331 179.189 176.870 -0.019 0.000 1.100 277 L CA 0.737 55.591 54.840 0.023 0.000 0.765 277 L CB -0.414 41.644 42.059 -0.003 0.000 0.904 277 L HN 0.066 nan 8.230 nan 0.000 0.437 278 I N -1.243 119.293 120.570 -0.056 0.000 2.208 278 I HA -0.361 3.810 4.170 0.002 0.000 0.245 278 I C 2.281 178.273 176.117 -0.209 0.000 1.097 278 I CA 1.179 62.319 61.300 -0.267 0.000 1.363 278 I CB -0.346 37.436 38.000 -0.362 0.000 1.051 278 I HN 0.211 nan 8.210 nan 0.000 0.413 279 L N 0.267 121.464 121.223 -0.044 0.000 2.197 279 L HA -0.271 4.070 4.340 0.002 0.000 0.215 279 L C 2.456 179.344 176.870 0.031 0.000 1.095 279 L CA 1.235 56.096 54.840 0.035 0.000 0.764 279 L CB -0.558 41.538 42.059 0.063 0.000 0.897 279 L HN 0.356 nan 8.230 nan 0.000 0.436 280 L N 0.209 121.437 121.223 0.010 0.000 2.187 280 L HA -0.229 4.112 4.340 0.002 0.000 0.213 280 L C 2.557 179.459 176.870 0.053 0.000 1.100 280 L CA 1.417 56.270 54.840 0.022 0.000 0.765 280 L CB -0.629 41.460 42.059 0.050 0.000 0.904 280 L HN 0.426 nan 8.230 nan 0.000 0.437 281 K N -0.720 119.705 120.400 0.042 0.000 2.442 281 K HA -0.157 4.164 4.320 0.002 0.000 0.198 281 K C 0.650 177.461 176.600 0.351 0.000 1.044 281 K CA 1.502 57.879 56.287 0.150 0.000 0.948 281 K CB -0.095 32.413 32.500 0.012 0.000 0.762 281 K HN 0.315 nan 8.250 nan 0.000 0.472 282 D N -0.398 120.163 120.400 0.268 0.000 2.395 282 D HA 0.111 4.752 4.640 0.002 0.000 0.213 282 D C 0.450 176.804 176.300 0.091 0.000 1.110 282 D CA 0.013 54.216 54.000 0.338 0.000 0.835 282 D CB 0.650 41.638 40.800 0.313 0.000 0.965 282 D HN 0.323 nan 8.370 nan 0.000 0.505 283 C N -0.542 118.755 119.300 -0.004 0.000 3.276 283 C HA 0.236 4.697 4.460 0.002 0.000 0.512 283 C C 2.262 177.094 174.990 -0.263 0.000 1.376 283 C CA -0.184 58.735 59.018 -0.165 0.000 2.319 283 C CB 0.234 27.893 27.740 -0.134 0.000 3.330 283 C HN 0.249 nan 8.230 nan 0.000 0.596 284 L N 1.045 122.185 121.223 -0.139 0.000 2.477 284 L HA 0.157 4.498 4.340 0.002 0.000 0.220 284 L C 1.126 178.003 176.870 0.012 0.000 1.106 284 L CA 0.278 55.031 54.840 -0.146 0.000 0.851 284 L CB -0.357 41.633 42.059 -0.115 0.000 0.994 284 L HN 0.598 nan 8.230 nan 0.000 0.462 285 W N 0.114 121.432 121.300 0.030 0.000 2.375 285 W HA 0.283 4.944 4.660 0.001 0.000 0.336 285 W C 0.297 176.904 176.519 0.147 0.000 1.160 285 W CA -0.847 56.545 57.345 0.079 0.000 1.266 285 W CB 0.337 29.859 29.460 0.103 0.000 1.195 285 W HN 0.130 nan 8.180 nan 0.000 0.599 286 Y N -0.289 120.190 120.300 0.298 0.000 2.452 286 Y HA 0.220 4.770 4.550 0.001 0.000 0.262 286 Y C -0.028 176.198 175.900 0.543 0.000 1.089 286 Y CA 0.123 58.367 58.100 0.239 0.000 1.262 286 Y CB 0.034 38.555 38.460 0.101 0.000 1.236 286 Y HN 0.283 nan 8.280 nan 0.000 0.512 287 D N 0.178 120.614 120.400 0.059 0.000 2.837 287 D HA 0.443 5.084 4.640 0.002 0.000 0.294 287 D C 0.999 177.462 176.300 0.272 0.000 1.158 287 D CA -0.185 53.915 54.000 0.166 0.000 1.073 287 D CB 1.131 41.864 40.800 -0.113 0.000 1.419 287 D HN 0.088 nan 8.370 nan 0.000 0.584 288 A N -0.571 122.410 122.820 0.267 0.000 1.872 288 A HA -0.166 4.155 4.320 0.002 0.000 0.214 288 A C 2.048 179.656 177.584 0.039 0.000 1.187 288 A CA 1.843 54.025 52.037 0.241 0.000 0.614 288 A CB -0.863 18.300 19.000 0.272 0.000 0.826 288 A HN 0.601 nan 8.150 nan 0.000 0.442 289 Q N 0.506 120.317 119.800 0.018 0.000 2.119 289 Q HA -0.162 4.179 4.340 0.002 0.000 0.201 289 Q C 2.248 178.242 176.000 -0.009 0.000 0.972 289 Q CA 2.162 57.961 55.803 -0.007 0.000 0.847 289 Q CB -0.169 28.568 28.738 -0.002 0.000 0.903 289 Q HN 0.753 nan 8.270 nan 0.000 0.433 290 S N 0.293 115.973 115.700 -0.034 0.000 2.428 290 S HA -0.130 4.341 4.470 0.002 0.000 0.230 290 S C 1.945 176.611 174.600 0.111 0.000 1.014 290 S CA 0.798 59.010 58.200 0.020 0.000 0.957 290 S CB -0.418 62.735 63.200 -0.078 0.000 0.784 290 S HN 0.382 nan 8.310 nan 0.000 0.499 291 L N 2.910 124.175 121.223 0.071 0.000 1.989 291 L HA -0.084 4.257 4.340 0.002 0.000 0.211 291 L C 1.996 178.829 176.870 -0.060 0.000 1.071 291 L CA 2.015 56.795 54.840 -0.100 0.000 0.749 291 L CB -1.144 40.616 42.059 -0.498 0.000 0.890 291 L HN 0.170 nan 8.230 nan 0.000 0.431 292 N N -0.127 118.535 118.700 -0.064 0.000 2.069 292 N HA -0.243 4.498 4.740 0.002 0.000 0.191 292 N C 1.962 177.484 175.510 0.020 0.000 1.031 292 N CA 1.919 54.947 53.050 -0.037 0.000 0.852 292 N CB -0.651 37.806 38.487 -0.050 0.000 1.018 292 N HN 0.446 nan 8.380 nan 0.000 0.423 293 L N 0.663 121.908 121.223 0.037 0.000 2.012 293 L HA -0.147 4.194 4.340 0.002 0.000 0.210 293 L C 1.900 178.827 176.870 0.094 0.000 1.073 293 L CA 1.083 55.960 54.840 0.061 0.000 0.748 293 L CB -0.198 41.899 42.059 0.064 0.000 0.891 293 L HN 0.038 nan 8.230 nan 0.000 0.431 294 I N -0.224 120.419 120.570 0.121 0.000 2.163 294 I HA -0.315 3.856 4.170 0.002 0.000 0.243 294 I C 2.615 178.842 176.117 0.183 0.000 1.085 294 I CA 1.492 62.887 61.300 0.158 0.000 1.347 294 I CB -1.443 36.688 38.000 0.218 0.000 1.044 294 I HN 0.467 nan 8.210 nan 0.000 0.408 295 Q N -0.040 119.874 119.800 0.189 0.000 2.050 295 Q HA -0.261 4.080 4.340 0.002 0.000 0.202 295 Q C 2.215 178.378 176.000 0.271 0.000 0.980 295 Q CA 1.540 57.521 55.803 0.297 0.000 0.840 295 Q CB -0.314 28.557 28.738 0.221 0.000 0.898 295 Q HN 0.582 nan 8.270 nan 0.000 0.424 296 Q N 0.301 120.185 119.800 0.141 0.000 2.061 296 Q HA -0.228 4.113 4.340 0.002 0.000 0.204 296 Q C 2.103 178.184 176.000 0.134 0.000 0.984 296 Q CA 1.315 57.180 55.803 0.102 0.000 0.846 296 Q CB 0.149 28.921 28.738 0.058 0.000 0.902 296 Q HN 0.342 nan 8.270 nan 0.000 0.421 297 Q N 0.189 120.068 119.800 0.131 0.000 2.050 297 Q HA -0.116 4.225 4.340 0.002 0.000 0.202 297 Q C 2.219 178.306 176.000 0.144 0.000 0.980 297 Q CA 1.217 57.090 55.803 0.117 0.000 0.840 297 Q CB -0.329 28.467 28.738 0.097 0.000 0.898 297 Q HN 0.498 nan 8.270 nan 0.000 0.424 298 I N 1.145 121.827 120.570 0.187 0.000 2.226 298 I HA -0.260 3.911 4.170 0.002 0.000 0.245 298 I C 2.333 178.637 176.117 0.313 0.000 1.100 298 I CA 1.254 62.671 61.300 0.195 0.000 1.374 298 I CB -0.373 37.704 38.000 0.128 0.000 1.057 298 I HN 0.249 nan 8.210 nan 0.000 0.413 299 D N 0.989 121.665 120.400 0.459 0.000 2.116 299 D HA -0.181 4.460 4.640 0.002 0.000 0.193 299 D C 2.241 178.693 176.300 0.253 0.000 0.998 299 D CA 1.700 55.958 54.000 0.431 0.000 0.836 299 D CB 0.169 41.084 40.800 0.192 0.000 0.951 299 D HN 0.138 nan 8.370 nan 0.000 0.449 300 V N 1.125 121.153 119.914 0.189 0.000 2.332 300 V HA -0.241 3.880 4.120 0.002 0.000 0.248 300 V C 2.695 178.920 176.094 0.217 0.000 1.055 300 V CA 1.309 63.710 62.300 0.168 0.000 1.038 300 V CB -0.522 31.379 31.823 0.130 0.000 0.651 300 V HN 0.226 nan 8.190 nan 0.000 0.450 301 L N -0.980 120.352 121.223 0.182 0.000 2.083 301 L HA -0.148 4.193 4.340 0.002 0.000 0.209 301 L C 2.301 179.299 176.870 0.212 0.000 1.083 301 L CA 1.994 56.928 54.840 0.157 0.000 0.752 301 L CB -0.351 41.742 42.059 0.057 0.000 0.899 301 L HN 0.178 nan 8.230 nan 0.000 0.433 302 M N -1.080 118.667 119.600 0.244 0.000 2.193 302 M HA -0.047 4.434 4.480 0.002 0.000 0.265 302 M C 2.252 178.746 176.300 0.323 0.000 1.071 302 M CA 1.921 57.407 55.300 0.310 0.000 1.140 302 M CB -1.651 31.187 32.600 0.395 0.000 1.369 302 M HN 0.503 nan 8.290 nan 0.000 0.423 303 T N -3.252 111.449 114.554 0.246 0.000 3.088 303 T HA 0.157 4.508 4.350 0.002 0.000 0.259 303 T C 1.699 176.486 174.700 0.146 0.000 1.122 303 T CA 1.042 63.243 62.100 0.169 0.000 1.095 303 T CB -0.304 68.632 68.868 0.113 0.000 0.930 303 T HN 0.395 nan 8.240 nan 0.000 0.508 304 G N -0.477 108.427 108.800 0.174 0.000 2.768 304 G HA2 0.190 4.151 3.960 0.002 0.000 0.201 304 G HA3 0.190 4.151 3.960 0.002 0.000 0.201 304 G C 1.331 176.180 174.900 -0.086 0.000 1.089 304 G CA -0.148 44.990 45.100 0.062 0.000 0.787 304 G HN 0.562 nan 8.290 nan 0.000 0.547 305 H N -0.607 118.527 119.070 0.107 0.000 2.926 305 H HA 0.275 4.832 4.556 0.002 0.000 0.249 305 H C 2.738 178.123 175.328 0.095 0.000 0.963 305 H CA 0.490 56.593 56.048 0.092 0.000 1.158 305 H CB 0.655 30.445 29.762 0.047 0.000 1.445 305 H HN 0.327 nan 8.280 nan 0.000 0.452 306 A N 1.155 124.070 122.820 0.158 0.000 1.908 306 A HA -0.165 4.156 4.320 0.002 0.000 0.218 306 A C 1.137 178.536 177.584 -0.308 0.000 1.181 306 A CA 0.994 52.949 52.037 -0.137 0.000 0.627 306 A CB -0.482 18.352 19.000 -0.275 0.000 0.818 306 A HN 0.436 nan 8.150 nan 0.000 0.445 307 W N -1.199 120.180 121.300 0.131 0.000 2.159 307 W HA 0.437 5.098 4.660 0.002 0.000 0.375 307 W C 0.564 177.100 176.519 0.028 0.000 0.794 307 W CA -0.255 57.125 57.345 0.059 0.000 2.716 307 W CB -0.009 29.444 29.460 -0.011 0.000 1.583 307 W HN 0.552 nan 8.180 nan 0.000 0.702 308 Q N -0.044 119.847 119.800 0.151 0.000 2.468 308 Q HA -0.320 4.021 4.340 0.002 0.000 0.256 308 Q C 1.277 177.330 176.000 0.088 0.000 0.984 308 Q CA 1.439 57.295 55.803 0.088 0.000 1.110 308 Q CB -1.113 27.653 28.738 0.046 0.000 1.527 308 Q HN 0.372 nan 8.270 nan 0.000 0.535 309 Q N -0.318 119.544 119.800 0.104 0.000 1.975 309 Q HA -0.205 4.136 4.340 0.002 0.000 0.205 309 Q C 1.753 177.769 176.000 0.027 0.000 0.990 309 Q CA 2.128 57.988 55.803 0.095 0.000 0.845 309 Q CB -0.253 28.541 28.738 0.094 0.000 0.913 309 Q HN 0.653 nan 8.270 nan 0.000 0.420 310 Q N -0.655 119.105 119.800 -0.066 0.000 2.167 310 Q HA -0.106 4.235 4.340 0.002 0.000 0.202 310 Q C 1.955 177.917 176.000 -0.063 0.000 0.970 310 Q CA 1.188 56.932 55.803 -0.098 0.000 0.855 310 Q CB -0.252 28.350 28.738 -0.226 0.000 0.911 310 Q HN 0.522 nan 8.270 nan 0.000 0.438 311 G N 0.497 109.264 108.800 -0.056 0.000 2.408 311 G HA2 -0.232 3.729 3.960 0.002 0.000 0.217 311 G HA3 -0.232 3.729 3.960 0.002 0.000 0.217 311 G C 1.334 176.246 174.900 0.019 0.000 1.150 311 G CA 0.559 45.654 45.100 -0.008 0.000 0.776 311 G HN 0.262 nan 8.290 nan 0.000 0.542 312 M N -0.257 119.368 119.600 0.041 0.000 2.288 312 M HA 0.194 4.675 4.480 0.002 0.000 0.266 312 M C 2.451 178.772 176.300 0.035 0.000 1.072 312 M CA 0.711 56.048 55.300 0.061 0.000 1.132 312 M CB -0.162 32.514 32.600 0.126 0.000 1.386 312 M HN 0.139 nan 8.290 nan 0.000 0.432 313 L N -0.911 120.325 121.223 0.022 0.000 2.109 313 L HA -0.162 4.179 4.340 0.002 0.000 0.207 313 L C 2.617 179.485 176.870 -0.003 0.000 1.086 313 L CA 1.198 56.039 54.840 0.002 0.000 0.760 313 L CB -0.637 41.420 42.059 -0.003 0.000 0.910 313 L HN 0.303 nan 8.230 nan 0.000 0.437 314 T N -0.900 113.654 114.554 -0.000 0.000 2.951 314 T HA -0.130 4.221 4.350 0.002 0.000 0.268 314 T C 2.063 176.766 174.700 0.006 0.000 1.073 314 T CA 1.010 63.111 62.100 0.002 0.000 1.134 314 T CB 0.025 68.895 68.868 0.004 0.000 0.884 314 T HN 0.195 nan 8.240 nan 0.000 0.479 315 R N -0.109 120.397 120.500 0.010 0.000 2.073 315 R HA 0.020 4.361 4.340 0.002 0.000 0.229 315 R C 2.352 178.654 176.300 0.003 0.000 1.120 315 R CA 1.122 57.229 56.100 0.011 0.000 0.967 315 R CB -0.569 29.743 30.300 0.020 0.000 0.862 315 R HN 0.347 nan 8.270 nan 0.000 0.436 316 L N 0.287 121.507 121.223 -0.005 0.000 1.989 316 L HA -0.066 4.275 4.340 0.002 0.000 0.211 316 L C 2.156 179.013 176.870 -0.021 0.000 1.071 316 L CA 2.297 57.124 54.840 -0.022 0.000 0.749 316 L CB -1.089 40.949 42.059 -0.036 0.000 0.890 316 L HN 0.187 nan 8.230 nan 0.000 0.431 317 G N -1.254 107.537 108.800 -0.015 0.000 2.450 317 G HA2 -0.263 3.698 3.960 0.002 0.000 0.220 317 G HA3 -0.263 3.698 3.960 0.002 0.000 0.220 317 G C 1.585 176.486 174.900 0.000 0.000 1.130 317 G CA 0.835 45.929 45.100 -0.009 0.000 0.760 317 G HN 0.673 nan 8.290 nan 0.000 0.557 318 A N 0.569 123.391 122.820 0.003 0.000 1.933 318 A HA 0.078 4.399 4.320 0.002 0.000 0.218 318 A C 2.375 179.966 177.584 0.013 0.000 1.175 318 A CA 1.233 53.276 52.037 0.010 0.000 0.628 318 A CB -0.263 18.744 19.000 0.011 0.000 0.814 318 A HN 0.401 nan 8.150 nan 0.000 0.444 319 I N -0.608 119.966 120.570 0.007 0.000 2.193 319 I HA -0.160 4.011 4.170 0.002 0.000 0.240 319 I C 2.256 178.388 176.117 0.025 0.000 1.084 319 I CA 0.913 62.220 61.300 0.012 0.000 1.365 319 I CB -0.405 37.592 38.000 -0.006 0.000 1.064 319 I HN 0.112 nan 8.210 nan 0.000 0.410 320 V N 0.602 120.516 119.914 0.001 0.000 2.453 320 V HA -0.315 3.806 4.120 0.002 0.000 0.252 320 V C 2.471 178.592 176.094 0.045 0.000 1.068 320 V CA 1.844 64.148 62.300 0.007 0.000 1.070 320 V CB -0.756 31.050 31.823 -0.029 0.000 0.664 320 V HN 0.433 nan 8.190 nan 0.000 0.461 321 Q N 0.444 120.263 119.800 0.031 0.000 2.046 321 Q HA -0.198 4.143 4.340 0.002 0.000 0.200 321 Q C 2.302 178.322 176.000 0.034 0.000 0.975 321 Q CA 1.968 57.789 55.803 0.031 0.000 0.836 321 Q CB -0.367 28.386 28.738 0.025 0.000 0.896 321 Q HN 0.528 nan 8.270 nan 0.000 0.428 322 R N -0.836 119.688 120.500 0.040 0.000 2.081 322 R HA -0.147 4.194 4.340 0.002 0.000 0.235 322 R C 2.387 178.712 176.300 0.042 0.000 1.131 322 R CA 1.811 57.932 56.100 0.035 0.000 0.960 322 R CB -0.659 29.662 30.300 0.035 0.000 0.856 322 R HN 0.521 nan 8.270 nan 0.000 0.436 323 H N 0.046 119.098 119.070 -0.029 0.000 2.290 323 H HA -0.150 4.407 4.556 0.002 0.000 0.298 323 H C 1.896 177.194 175.328 -0.050 0.000 1.087 323 H CA 2.268 58.293 56.048 -0.038 0.000 1.291 323 H CB -0.086 29.650 29.762 -0.044 0.000 1.369 323 H HN 0.232 nan 8.280 nan 0.000 0.492 324 L N 0.536 121.754 121.223 -0.009 0.000 2.042 324 L HA -0.234 4.107 4.340 0.002 0.000 0.210 324 L C 3.028 179.846 176.870 -0.087 0.000 1.076 324 L CA 1.694 56.478 54.840 -0.093 0.000 0.749 324 L CB -0.414 41.588 42.059 -0.096 0.000 0.893 324 L HN 0.390 nan 8.230 nan 0.000 0.432 325 Q N 0.172 119.945 119.800 -0.045 0.000 2.084 325 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 325 Q C 2.277 178.244 176.000 -0.055 0.000 0.978 325 Q CA 1.589 57.373 55.803 -0.031 0.000 0.844 325 Q CB -0.085 28.648 28.738 -0.009 0.000 0.898 325 Q HN 0.514 nan 8.270 nan 0.000 0.426 326 L N 0.303 121.475 121.223 -0.084 0.000 2.217 326 L HA -0.156 4.185 4.340 0.002 0.000 0.211 326 L C 2.631 179.423 176.870 -0.131 0.000 1.107 326 L CA 0.639 55.420 54.840 -0.099 0.000 0.783 326 L CB -0.398 41.598 42.059 -0.105 0.000 0.919 326 L HN 0.311 nan 8.230 nan 0.000 0.442 327 Q N 0.384 120.072 119.800 -0.186 0.000 2.167 327 Q HA -0.230 4.110 4.340 0.002 0.000 0.202 327 Q C 2.184 178.127 176.000 -0.095 0.000 0.970 327 Q CA 1.706 57.405 55.803 -0.173 0.000 0.855 327 Q CB -0.025 28.582 28.738 -0.219 0.000 0.911 327 Q HN 0.676 nan 8.270 nan 0.000 0.438 328 Q N -0.741 119.017 119.800 -0.069 0.000 2.398 328 Q HA -0.016 4.325 4.340 0.002 0.000 0.204 328 Q C 1.500 177.482 176.000 -0.029 0.000 0.932 328 Q CA 0.830 56.612 55.803 -0.034 0.000 0.916 328 Q CB -0.073 28.661 28.738 -0.008 0.000 1.024 328 Q HN 0.236 nan 8.270 nan 0.000 0.504 329 Q N -0.228 119.549 119.800 -0.037 0.000 2.297 329 Q HA -0.047 4.294 4.340 0.002 0.000 0.204 329 Q C 0.882 176.863 176.000 -0.032 0.000 0.962 329 Q CA 1.006 56.791 55.803 -0.029 0.000 0.879 329 Q CB 0.258 28.978 28.738 -0.029 0.000 0.947 329 Q HN 0.365 nan 8.270 nan 0.000 0.462 330 Q N -0.499 119.275 119.800 -0.042 0.000 2.201 330 Q HA 0.063 4.404 4.340 0.002 0.000 0.236 330 Q C 0.552 176.530 176.000 -0.037 0.000 0.857 330 Q CA -0.125 55.655 55.803 -0.039 0.000 1.025 330 Q CB 0.616 29.325 28.738 -0.048 0.000 1.124 330 Q HN 0.200 nan 8.270 nan 0.000 0.473 331 S N -2.065 113.615 115.700 -0.033 0.000 2.605 331 S HA 0.030 4.501 4.470 0.002 0.000 0.217 331 S C 0.570 175.149 174.600 -0.034 0.000 0.958 331 S CA -0.000 58.181 58.200 -0.032 0.000 0.919 331 S CB 0.227 63.413 63.200 -0.025 0.000 0.780 331 S HN 0.250 nan 8.310 nan 0.000 0.507 332 D N 2.388 122.770 120.400 -0.030 0.000 2.183 332 D HA 0.009 4.650 4.640 0.002 0.000 0.205 332 D C 1.660 177.942 176.300 -0.030 0.000 0.962 332 D CA 0.794 54.775 54.000 -0.031 0.000 0.849 332 D CB -0.313 40.474 40.800 -0.022 0.000 0.978 332 D HN 0.397 nan 8.370 nan 0.000 0.488 333 K N 0.194 120.580 120.400 -0.025 0.000 2.218 333 K HA -0.072 4.249 4.320 0.002 0.000 0.205 333 K C -0.066 176.522 176.600 -0.020 0.000 1.046 333 K CA 0.922 57.197 56.287 -0.019 0.000 0.933 333 K CB 0.135 32.623 32.500 -0.019 0.000 0.728 333 K HN 0.096 nan 8.250 nan 0.000 0.454 334 T N -1.004 113.533 114.554 -0.029 0.000 2.907 334 T HA 0.730 5.081 4.350 0.002 0.000 0.292 334 T C -0.614 174.051 174.700 -0.059 0.000 1.043 334 T CA -0.617 61.465 62.100 -0.030 0.000 1.003 334 T CB 2.039 70.893 68.868 -0.023 0.000 1.084 334 T HN 0.163 nan 8.240 nan 0.000 0.483 335 A N 1.430 124.210 122.820 -0.066 0.000 3.988 335 A HA 0.966 5.287 4.320 0.002 0.000 0.178 335 A C -1.517 176.039 177.584 -0.046 0.000 0.740 335 A CA -0.758 51.194 52.037 -0.142 0.000 0.806 335 A CB 0.815 19.614 19.000 -0.335 0.000 1.517 335 A HN 0.747 nan 8.150 nan 0.000 0.811 336 L N 0.758 121.992 121.223 0.018 0.000 2.676 336 L HA 0.375 4.716 4.340 0.002 0.000 0.262 336 L C -1.472 175.529 176.870 0.218 0.000 0.965 336 L CA -0.238 54.657 54.840 0.091 0.000 0.920 336 L CB 1.913 43.998 42.059 0.044 0.000 1.260 336 L HN 0.676 nan 8.230 nan 0.000 0.422 337 T N 3.256 117.909 114.554 0.164 0.000 2.811 337 T HA 0.272 4.623 4.350 0.002 0.000 0.309 337 T C 0.181 174.917 174.700 0.060 0.000 1.005 337 T CA -0.255 61.916 62.100 0.120 0.000 0.955 337 T CB 1.276 70.193 68.868 0.082 0.000 0.970 337 T HN 0.220 nan 8.240 nan 0.000 0.496 338 V N 5.899 125.843 119.914 0.049 0.000 2.529 338 V HA 0.154 4.275 4.120 0.002 0.000 0.292 338 V C 0.811 176.925 176.094 0.034 0.000 1.028 338 V CA -0.515 61.808 62.300 0.039 0.000 1.074 338 V CB -0.183 31.663 31.823 0.039 0.000 0.958 338 V HN 0.770 nan 8.190 nan 0.000 0.481 339 I N 3.708 124.314 120.570 0.060 0.000 2.441 339 I HA 0.461 4.632 4.170 0.002 0.000 0.287 339 I C 0.572 176.724 176.117 0.058 0.000 1.049 339 I CA -0.448 60.888 61.300 0.060 0.000 1.381 339 I CB 0.287 38.338 38.000 0.084 0.000 1.409 339 I HN 0.445 nan 8.210 nan 0.000 0.523 340 R N 5.592 126.103 120.500 0.017 0.000 2.489 340 R HA 0.345 4.686 4.340 0.002 0.000 0.287 340 R C -0.642 175.646 176.300 -0.020 0.000 1.053 340 R CA -0.571 55.529 56.100 -0.001 0.000 1.036 340 R CB 0.834 31.126 30.300 -0.015 0.000 0.966 340 R HN 0.670 nan 8.270 nan 0.000 0.432 341 L N 0.613 121.816 121.223 -0.035 0.000 2.307 341 L HA 0.595 4.935 4.340 0.002 0.000 0.284 341 L C 0.458 177.287 176.870 -0.069 0.000 1.023 341 L CA -0.153 54.628 54.840 -0.099 0.000 0.810 341 L CB 1.828 43.776 42.059 -0.185 0.000 1.231 341 L HN 0.568 nan 8.230 nan 0.000 0.423 342 G N 2.029 110.787 108.800 -0.071 0.000 3.152 342 G HA2 0.608 4.569 3.960 0.002 0.000 0.157 342 G HA3 0.608 4.569 3.960 0.002 0.000 0.157 342 G C 0.382 175.264 174.900 -0.030 0.000 1.786 342 G CA -0.167 44.909 45.100 -0.040 0.000 1.055 342 G HN 1.512 nan 8.290 nan 0.000 0.528 343 G N -1.189 107.598 108.800 -0.021 0.000 2.568 343 G HA2 -0.024 3.937 3.960 0.002 0.000 0.222 343 G HA3 -0.024 3.937 3.960 0.002 0.000 0.222 343 G C -0.421 174.497 174.900 0.030 0.000 1.321 343 G CA -0.011 45.087 45.100 -0.004 0.000 0.893 343 G HN 0.985 nan 8.290 nan 0.000 0.569 344 I N 0.437 121.043 120.570 0.060 0.000 2.502 344 I HA 0.623 4.794 4.170 0.002 0.000 0.276 344 I C -0.583 175.637 176.117 0.171 0.000 1.057 344 I CA -0.227 61.118 61.300 0.076 0.000 1.163 344 I CB 0.204 38.229 38.000 0.043 0.000 1.288 344 I HN 0.480 nan 8.210 nan 0.000 0.479 345 F N 2.720 122.653 119.950 -0.029 0.000 2.626 345 F HA 0.336 4.863 4.527 0.002 0.000 0.311 345 F C 1.472 177.255 175.800 -0.029 0.000 1.088 345 F CA -0.375 57.609 58.000 -0.028 0.000 0.949 345 F CB 2.268 41.249 39.000 -0.030 0.000 1.322 345 F HN 0.269 nan 8.300 nan 0.000 0.461 346 S N 2.128 117.364 115.700 -0.772 0.000 2.399 346 S HA 0.046 4.517 4.470 0.002 0.000 0.231 346 S C 0.918 175.405 174.600 -0.188 0.000 1.022 346 S CA 1.041 58.946 58.200 -0.493 0.000 0.983 346 S CB -0.108 62.686 63.200 -0.676 0.000 0.803 346 S HN 0.596 nan 8.310 nan 0.000 0.480 347 R N 0.069 120.584 120.500 0.026 0.000 2.782 347 R HA 0.446 4.787 4.340 0.002 0.000 0.258 347 R C -0.329 176.042 176.300 0.119 0.000 1.055 347 R CA -0.823 55.346 56.100 0.115 0.000 1.065 347 R CB 0.617 31.033 30.300 0.193 0.000 1.172 347 R HN 0.129 nan 8.270 nan 0.000 0.510 348 R N 2.079 122.602 120.500 0.039 0.000 2.612 348 R HA 0.035 4.376 4.340 0.002 0.000 0.273 348 R C -0.203 176.092 176.300 -0.008 0.000 1.376 348 R CA 0.060 56.167 56.100 0.012 0.000 1.171 348 R CB 0.236 30.526 30.300 -0.017 0.000 1.151 348 R HN 0.354 nan 8.270 nan 0.000 0.560 349 Q N 1.727 121.537 119.800 0.015 0.000 2.392 349 Q HA 0.051 4.392 4.340 0.002 0.000 0.262 349 Q C 0.055 176.034 176.000 -0.035 0.000 1.003 349 Q CA 0.279 56.061 55.803 -0.035 0.000 0.888 349 Q CB 0.991 29.688 28.738 -0.069 0.000 1.260 349 Q HN 0.316 nan 8.270 nan 0.000 0.435 350 Q N 1.082 120.861 119.800 -0.035 0.000 2.484 350 Q HA 0.469 4.810 4.340 0.002 0.000 0.285 350 Q C -1.499 174.574 176.000 0.122 0.000 1.097 350 Q CA -0.664 55.147 55.803 0.014 0.000 0.802 350 Q CB 1.975 30.689 28.738 -0.039 0.000 1.444 350 Q HN 0.574 nan 8.270 nan 0.000 0.429 351 Y N 0.395 120.666 120.300 -0.048 0.000 2.504 351 Y HA 0.220 4.771 4.550 0.002 0.000 0.344 351 Y C -0.877 175.011 175.900 -0.019 0.000 1.023 351 Y CA -0.679 57.400 58.100 -0.036 0.000 1.020 351 Y CB 1.849 40.286 38.460 -0.038 0.000 1.282 351 Y HN 0.495 nan 8.280 nan 0.000 0.454 352 Q N 2.318 121.939 119.800 -0.298 0.000 2.471 352 Q HA 0.411 4.752 4.340 0.002 0.000 0.223 352 Q C -1.138 174.795 176.000 -0.112 0.000 1.045 352 Q CA -0.652 55.035 55.803 -0.193 0.000 0.956 352 Q CB 0.389 28.983 28.738 -0.241 0.000 1.249 352 Q HN 0.511 nan 8.270 nan 0.000 0.549 353 L N 3.375 124.573 121.223 -0.042 0.000 2.455 353 L HA 0.055 4.395 4.340 0.002 0.000 0.272 353 L C -1.366 175.505 176.870 0.002 0.000 1.174 353 L CA -0.610 54.237 54.840 0.011 0.000 0.869 353 L CB -0.120 41.946 42.059 0.012 0.000 1.130 353 L HN 0.637 nan 8.230 nan 0.000 0.474 354 P HA -0.237 nan 4.420 nan 0.000 0.213 354 P C 1.270 178.588 177.300 0.029 0.000 1.176 354 P CA 1.455 64.604 63.100 0.082 0.000 0.919 354 P CB 0.379 32.136 31.700 0.095 0.000 0.791 355 V N -2.081 117.846 119.914 0.022 0.000 3.548 355 V HA 0.109 4.230 4.120 0.002 0.000 0.279 355 V C 1.818 177.915 176.094 0.004 0.000 1.446 355 V CA 0.492 62.798 62.300 0.009 0.000 1.023 355 V CB -0.860 30.971 31.823 0.013 0.000 0.820 355 V HN -0.067 nan 8.190 nan 0.000 0.438 356 N N 1.321 120.025 118.700 0.007 0.000 2.037 356 N HA -0.154 4.587 4.740 0.002 0.000 0.196 356 N C 0.634 176.143 175.510 -0.001 0.000 1.034 356 N CA 2.071 55.124 53.050 0.005 0.000 0.861 356 N CB -0.186 38.307 38.487 0.010 0.000 1.039 356 N HN 0.522 nan 8.380 nan 0.000 0.427 357 V N -1.182 118.727 119.914 -0.010 0.000 2.311 357 V HA 0.499 4.620 4.120 0.002 0.000 0.275 357 V C 0.163 176.243 176.094 -0.025 0.000 1.022 357 V CA -0.503 61.788 62.300 -0.015 0.000 0.830 357 V CB 1.127 32.937 31.823 -0.022 0.000 1.012 357 V HN 0.239 nan 8.190 nan 0.000 0.452 358 T N 0.863 115.408 114.554 -0.015 0.000 3.144 358 T HA 0.506 4.857 4.350 0.002 0.000 0.290 358 T C 0.715 175.411 174.700 -0.008 0.000 0.966 358 T CA 0.483 62.573 62.100 -0.016 0.000 0.907 358 T CB 0.410 69.272 68.868 -0.011 0.000 1.152 358 T HN 1.255 nan 8.240 nan 0.000 0.532 359 A N 2.372 125.192 122.820 -0.001 0.000 2.522 359 A HA 0.497 4.818 4.320 0.002 0.000 0.256 359 A C 1.875 179.466 177.584 0.011 0.000 1.086 359 A CA 0.174 52.215 52.037 0.007 0.000 0.763 359 A CB 0.020 19.028 19.000 0.014 0.000 1.024 359 A HN 0.592 nan 8.150 nan 0.000 0.502 360 S N 2.152 117.858 115.700 0.010 0.000 2.380 360 S HA -0.149 4.322 4.470 0.002 0.000 0.229 360 S C 0.966 175.582 174.600 0.026 0.000 1.043 360 S CA 1.710 59.918 58.200 0.013 0.000 1.038 360 S CB -0.799 62.407 63.200 0.009 0.000 0.872 360 S HN 1.762 nan 8.310 nan 0.000 0.456 361 T N 0.616 115.189 114.554 0.032 0.000 2.906 361 T HA 0.647 4.997 4.350 0.002 0.000 0.302 361 T C -0.610 174.127 174.700 0.062 0.000 1.002 361 T CA -1.093 61.038 62.100 0.052 0.000 0.988 361 T CB 1.052 69.944 68.868 0.039 0.000 0.972 361 T HN 0.602 nan 8.240 nan 0.000 0.447 362 L N 2.144 123.422 121.223 0.093 0.000 2.322 362 L HA 0.930 5.271 4.340 0.002 0.000 0.279 362 L C 0.135 177.100 176.870 0.159 0.000 1.036 362 L CA -0.735 54.163 54.840 0.096 0.000 0.807 362 L CB 1.803 43.903 42.059 0.069 0.000 1.226 362 L HN 0.739 nan 8.230 nan 0.000 0.433 363 T N 1.917 116.549 114.554 0.132 0.000 2.867 363 T HA 0.670 5.021 4.350 0.002 0.000 0.282 363 T C -0.491 174.311 174.700 0.171 0.000 1.000 363 T CA -0.665 61.539 62.100 0.173 0.000 1.042 363 T CB 1.136 70.101 68.868 0.162 0.000 0.973 363 T HN 0.633 nan 8.240 nan 0.000 0.465 364 L N 3.682 125.041 121.223 0.228 0.000 2.381 364 L HA 0.503 4.844 4.340 0.002 0.000 0.274 364 L C -0.220 176.750 176.870 0.167 0.000 0.988 364 L CA -1.072 53.876 54.840 0.180 0.000 0.824 364 L CB 1.774 43.956 42.059 0.206 0.000 1.263 364 L HN 0.587 nan 8.230 nan 0.000 0.410 365 L N 3.867 125.154 121.223 0.108 0.000 2.456 365 L HA 0.502 4.843 4.340 0.002 0.000 0.257 365 L C -0.325 176.586 176.870 0.068 0.000 1.162 365 L CA -0.627 54.270 54.840 0.095 0.000 0.808 365 L CB 0.599 42.682 42.059 0.041 0.000 1.136 365 L HN 0.442 nan 8.230 nan 0.000 0.466 366 L N -0.738 120.519 121.223 0.056 0.000 2.362 366 L HA 0.497 4.838 4.340 0.002 0.000 0.275 366 L C 0.322 177.201 176.870 0.016 0.000 0.998 366 L CA -0.837 54.024 54.840 0.035 0.000 0.820 366 L CB 1.628 43.711 42.059 0.040 0.000 1.270 366 L HN 0.444 nan 8.230 nan 0.000 0.415 367 Q N 0.841 120.640 119.800 -0.001 0.000 2.112 367 Q HA -0.039 4.302 4.340 0.002 0.000 0.206 367 Q C 0.369 176.368 176.000 -0.001 0.000 0.987 367 Q CA 1.710 57.508 55.803 -0.009 0.000 0.858 367 Q CB 0.110 28.834 28.738 -0.023 0.000 0.905 367 Q HN 0.439 nan 8.270 nan 0.000 0.420 368 K N 1.141 121.543 120.400 0.005 0.000 2.464 368 K HA 0.244 4.565 4.320 0.002 0.000 0.252 368 K C -2.709 173.898 176.600 0.012 0.000 1.000 368 K CA -2.383 53.909 56.287 0.008 0.000 0.951 368 K CB 1.184 33.689 32.500 0.008 0.000 1.183 368 K HN -0.019 nan 8.250 nan 0.000 0.445 369 P HA 0.042 nan 4.420 nan 0.000 0.266 369 P C -0.494 176.812 177.300 0.011 0.000 1.195 369 P CA 0.111 63.220 63.100 0.015 0.000 0.768 369 P CB 0.844 32.553 31.700 0.016 0.000 0.838 370 L N 1.931 123.160 121.223 0.010 0.000 2.323 370 L HA 0.467 4.808 4.340 0.002 0.000 0.265 370 L C 0.741 177.614 176.870 0.005 0.000 1.012 370 L CA -1.155 53.690 54.840 0.008 0.000 0.820 370 L CB 2.075 44.141 42.059 0.011 0.000 1.334 370 L HN 0.232 nan 8.230 nan 0.000 0.427 371 K N 2.459 122.861 120.400 0.002 0.000 2.250 371 K HA 0.506 4.827 4.320 0.002 0.000 0.285 371 K C -1.376 175.224 176.600 -0.001 0.000 1.097 371 K CA -0.156 56.131 56.287 0.001 0.000 0.913 371 K CB 0.149 32.647 32.500 -0.003 0.000 1.179 371 K HN 0.411 nan 8.250 nan 0.000 0.462 372 L N 4.342 125.576 121.223 0.017 0.000 2.362 372 L HA 0.340 4.681 4.340 0.002 0.000 0.275 372 L C -0.043 176.898 176.870 0.119 0.000 0.998 372 L CA -0.997 53.870 54.840 0.046 0.000 0.820 372 L CB 1.551 43.663 42.059 0.088 0.000 1.270 372 L HN 0.770 nan 8.230 nan 0.000 0.415 373 H N 1.856 120.911 119.070 -0.025 0.000 2.677 373 H HA -0.215 4.341 4.556 0.002 0.000 0.321 373 H C 0.085 175.403 175.328 -0.017 0.000 1.171 373 H CA 0.851 56.886 56.048 -0.020 0.000 1.139 373 H CB -0.791 28.956 29.762 -0.024 0.000 1.515 373 H HN 0.908 nan 8.280 nan 0.000 0.423 374 D N -0.895 119.525 120.400 0.034 0.000 2.945 374 D HA -0.186 4.455 4.640 0.002 0.000 0.225 374 D C 0.394 176.708 176.300 0.024 0.000 1.158 374 D CA 1.503 55.516 54.000 0.021 0.000 0.805 374 D CB -0.420 40.393 40.800 0.021 0.000 1.098 374 D HN 0.679 nan 8.370 nan 0.000 0.426 375 M N -1.168 118.448 119.600 0.026 0.000 2.520 375 M HA 0.466 4.947 4.480 0.002 0.000 0.280 375 M C -1.161 175.143 176.300 0.007 0.000 1.232 375 M CA -0.960 54.348 55.300 0.013 0.000 0.892 375 M CB 1.914 34.519 32.600 0.008 0.000 1.728 375 M HN -0.044 nan 8.290 nan 0.000 0.475 376 E N 1.647 121.848 120.200 0.002 0.000 2.289 376 E HA 0.523 4.874 4.350 0.002 0.000 0.278 376 E C -1.247 175.347 176.600 -0.009 0.000 1.032 376 E CA -0.890 55.510 56.400 0.000 0.000 0.854 376 E CB 2.052 31.754 29.700 0.004 0.000 1.046 376 E HN 0.578 nan 8.360 nan 0.000 0.409 377 V N 4.836 124.742 119.914 -0.014 0.000 2.487 377 V HA 0.272 4.393 4.120 0.002 0.000 0.298 377 V C 0.338 176.426 176.094 -0.010 0.000 1.028 377 V CA -0.314 61.961 62.300 -0.040 0.000 0.860 377 V CB 1.613 33.394 31.823 -0.070 0.000 0.991 377 V HN 0.818 nan 8.190 nan 0.000 0.427 378 V N 3.352 123.276 119.914 0.017 0.000 3.307 378 V HA 0.460 4.581 4.120 0.002 0.000 0.253 378 V C 0.478 176.662 176.094 0.150 0.000 1.149 378 V CA 1.319 63.671 62.300 0.086 0.000 1.112 378 V CB -1.160 30.734 31.823 0.119 0.000 0.777 378 V HN 1.135 nan 8.190 nan 0.000 0.464 379 H N -1.606 117.460 119.070 -0.007 0.000 2.996 379 H HA 0.802 5.359 4.556 0.002 0.000 0.368 379 H C -1.412 173.898 175.328 -0.030 0.000 1.185 379 H CA -1.220 54.827 56.048 -0.003 0.000 1.160 379 H CB 1.573 31.335 29.762 0.001 0.000 1.820 379 H HN 0.128 nan 8.280 nan 0.000 0.547 380 I N 2.749 123.308 120.570 -0.018 0.000 2.466 380 I HA 0.314 4.485 4.170 0.002 0.000 0.289 380 I C -0.321 175.703 176.117 -0.156 0.000 1.026 380 I CA -0.880 60.300 61.300 -0.200 0.000 1.078 380 I CB 2.149 39.986 38.000 -0.272 0.000 1.249 380 I HN 0.805 nan 8.210 nan 0.000 0.429 381 S N 5.757 121.319 115.700 -0.231 0.000 2.480 381 S HA 0.679 5.150 4.470 0.002 0.000 0.286 381 S C -0.819 173.602 174.600 -0.299 0.000 1.180 381 S CA -0.485 57.653 58.200 -0.103 0.000 1.075 381 S CB 0.546 63.738 63.200 -0.013 0.000 0.996 381 S HN 0.339 nan 8.310 nan 0.000 0.487 382 F N 1.001 120.942 119.950 -0.015 0.000 2.480 382 F HA 0.424 4.952 4.527 0.002 0.000 0.329 382 F C 0.730 176.521 175.800 -0.014 0.000 1.091 382 F CA -0.997 56.987 58.000 -0.027 0.000 0.972 382 F CB 1.413 40.392 39.000 -0.034 0.000 1.150 382 F HN 0.673 nan 8.300 nan 0.000 0.467 383 E N 3.277 123.570 120.200 0.155 0.000 2.265 383 E HA 0.038 4.389 4.350 0.002 0.000 0.272 383 E C 1.255 177.923 176.600 0.114 0.000 1.067 383 E CA -0.144 56.316 56.400 0.101 0.000 0.900 383 E CB 0.641 30.380 29.700 0.065 0.000 1.017 383 E HN 0.653 nan 8.360 nan 0.000 0.431 384 R N 2.858 123.404 120.500 0.077 0.000 2.117 384 R HA -0.188 4.153 4.340 0.002 0.000 0.243 384 R C 2.156 178.468 176.300 0.021 0.000 1.143 384 R CA 1.780 57.903 56.100 0.038 0.000 0.968 384 R CB -0.203 30.102 30.300 0.010 0.000 0.863 384 R HN 0.563 nan 8.270 nan 0.000 0.444 385 S N -0.290 115.426 115.700 0.027 0.000 2.370 385 S HA -0.173 4.298 4.470 0.002 0.000 0.226 385 S C 1.930 176.557 174.600 0.046 0.000 1.033 385 S CA 1.463 59.678 58.200 0.024 0.000 1.011 385 S CB -0.162 63.053 63.200 0.025 0.000 0.852 385 S HN 0.520 nan 8.310 nan 0.000 0.457 386 A N 0.681 123.544 122.820 0.071 0.000 1.968 386 A HA 0.148 4.469 4.320 0.002 0.000 0.217 386 A C 2.089 179.753 177.584 0.134 0.000 1.169 386 A CA 1.263 53.360 52.037 0.100 0.000 0.638 386 A CB -0.642 18.419 19.000 0.101 0.000 0.812 386 A HN 0.554 nan 8.150 nan 0.000 0.446 387 L N 0.088 121.375 121.223 0.106 0.000 2.156 387 L HA -0.045 4.295 4.340 0.002 0.000 0.208 387 L C 2.060 178.991 176.870 0.101 0.000 1.095 387 L CA 1.889 56.776 54.840 0.078 0.000 0.770 387 L CB -0.613 41.401 42.059 -0.076 0.000 0.914 387 L HN 0.498 nan 8.230 nan 0.000 0.439 388 E N -0.759 119.462 120.200 0.034 0.000 2.012 388 E HA -0.296 4.055 4.350 0.002 0.000 0.197 388 E C 2.119 178.739 176.600 0.034 0.000 1.007 388 E CA 1.789 58.180 56.400 -0.014 0.000 0.816 388 E CB -0.253 29.417 29.700 -0.051 0.000 0.762 388 E HN 0.590 nan 8.360 nan 0.000 0.451 389 Q N -0.583 119.255 119.800 0.063 0.000 2.170 389 Q HA -0.197 4.144 4.340 0.002 0.000 0.203 389 Q C 1.839 177.902 176.000 0.105 0.000 0.976 389 Q CA 1.182 57.024 55.803 0.064 0.000 0.858 389 Q CB -0.178 28.603 28.738 0.071 0.000 0.907 389 Q HN 0.419 nan 8.270 nan 0.000 0.433 390 W N 0.619 121.917 121.300 -0.005 0.000 2.436 390 W HA -0.057 4.604 4.660 0.002 0.000 0.284 390 W C 1.336 177.852 176.519 -0.004 0.000 1.225 390 W CA 0.809 58.157 57.345 0.006 0.000 1.271 390 W CB 0.010 29.480 29.460 0.016 0.000 1.114 390 W HN 0.013 nan 8.180 nan 0.000 0.559 391 L N 0.017 121.257 121.223 0.030 0.000 2.217 391 L HA -0.156 4.185 4.340 0.002 0.000 0.211 391 L C 2.406 179.169 176.870 -0.177 0.000 1.107 391 L CA 1.270 56.027 54.840 -0.137 0.000 0.783 391 L CB -0.594 41.469 42.059 0.008 0.000 0.919 391 L HN -0.120 nan 8.230 nan 0.000 0.442 392 S N -0.603 115.024 115.700 -0.123 0.000 2.370 392 S HA -0.027 4.444 4.470 0.002 0.000 0.214 392 S C 1.754 176.259 174.600 -0.158 0.000 1.033 392 S CA 0.664 58.782 58.200 -0.137 0.000 0.941 392 S CB 0.106 63.235 63.200 -0.119 0.000 0.886 392 S HN 0.143 nan 8.310 nan 0.000 0.521 393 K N 0.868 121.198 120.400 -0.117 0.000 2.379 393 K HA 0.363 4.684 4.320 0.002 0.000 0.194 393 K C 1.116 177.671 176.600 -0.075 0.000 1.031 393 K CA 0.517 56.781 56.287 -0.038 0.000 1.037 393 K CB -0.138 32.370 32.500 0.012 0.000 0.824 393 K HN 0.418 nan 8.250 nan 0.000 0.516 394 G N -0.187 108.457 108.800 -0.260 0.000 2.512 394 G HA2 -0.025 3.936 3.960 0.002 0.000 0.254 394 G HA3 -0.025 3.936 3.960 0.002 0.000 0.254 394 G C 0.630 175.486 174.900 -0.074 0.000 1.199 394 G CA -0.296 44.543 45.100 -0.435 0.000 0.941 394 G HN 0.802 nan 8.290 nan 0.000 0.569 395 G N -0.882 107.965 108.800 0.078 0.000 2.498 395 G HA2 0.107 4.068 3.960 0.002 0.000 0.251 395 G HA3 0.107 4.068 3.960 0.002 0.000 0.251 395 G C -0.114 175.032 174.900 0.410 0.000 1.170 395 G CA 1.187 46.418 45.100 0.219 0.000 0.944 395 G HN 1.607 nan 8.290 nan 0.000 0.567 396 E N -0.426 119.967 120.200 0.323 0.000 2.212 396 E HA 0.683 5.034 4.350 0.002 0.000 0.268 396 E C -0.604 176.063 176.600 0.112 0.000 0.902 396 E CA -0.598 55.929 56.400 0.211 0.000 0.779 396 E CB 2.517 32.285 29.700 0.114 0.000 1.172 396 E HN 0.683 nan 8.360 nan 0.000 0.409 397 I N 2.131 122.629 120.570 -0.121 0.000 2.466 397 I HA 0.389 4.560 4.170 0.002 0.000 0.289 397 I C -1.009 175.029 176.117 -0.132 0.000 1.026 397 I CA -0.496 60.673 61.300 -0.218 0.000 1.078 397 I CB 0.844 38.428 38.000 -0.693 0.000 1.249 397 I HN 0.448 nan 8.210 nan 0.000 0.429 398 R N 5.099 125.560 120.500 -0.064 0.000 2.573 398 R HA 0.861 5.202 4.340 0.002 0.000 0.272 398 R C -0.523 175.683 176.300 -0.155 0.000 1.009 398 R CA -1.077 54.969 56.100 -0.090 0.000 1.059 398 R CB 1.624 31.884 30.300 -0.066 0.000 1.112 398 R HN 0.794 nan 8.270 nan 0.000 0.517 399 G N 1.109 109.742 108.800 -0.277 0.000 2.761 399 G HA2 0.203 4.164 3.960 0.002 0.000 0.296 399 G HA3 0.203 4.164 3.960 0.002 0.000 0.296 399 G C -1.405 173.253 174.900 -0.404 0.000 1.416 399 G CA -1.073 43.708 45.100 -0.532 0.000 1.105 399 G HN 0.486 nan 8.290 nan 0.000 0.565 400 K N 2.959 123.156 120.400 -0.337 0.000 2.378 400 K HA 0.348 4.669 4.320 0.002 0.000 0.288 400 K C 0.129 176.560 176.600 -0.281 0.000 1.057 400 K CA -0.442 55.699 56.287 -0.244 0.000 0.971 400 K CB 1.215 33.617 32.500 -0.165 0.000 0.975 400 K HN 0.316 nan 8.250 nan 0.000 0.475 401 L N 3.373 124.443 121.223 -0.254 0.000 2.453 401 L HA -0.013 4.328 4.340 0.002 0.000 0.272 401 L C 0.404 177.094 176.870 -0.300 0.000 1.182 401 L CA -0.222 54.464 54.840 -0.256 0.000 0.858 401 L CB -0.125 41.825 42.059 -0.183 0.000 1.120 401 L HN 0.786 nan 8.230 nan 0.000 0.474 402 N N 2.868 121.281 118.700 -0.478 0.000 2.696 402 N HA -0.241 4.500 4.740 0.002 0.000 0.249 402 N C 1.086 176.285 175.510 -0.519 0.000 1.090 402 N CA 1.147 53.718 53.050 -0.798 0.000 0.716 402 N CB -0.944 37.330 38.487 -0.355 0.000 1.020 402 N HN 1.119 nan 8.380 nan 0.000 0.548 403 G N -1.055 107.537 108.800 -0.346 0.000 2.284 403 G HA2 -0.351 3.610 3.960 0.002 0.000 0.261 403 G HA3 -0.351 3.610 3.960 0.002 0.000 0.261 403 G C 0.270 175.122 174.900 -0.080 0.000 0.997 403 G CA 0.886 45.945 45.100 -0.069 0.000 0.621 403 G HN 0.759 nan 8.290 nan 0.000 0.534 404 I N -2.595 117.906 120.570 -0.114 0.000 2.910 404 I HA 0.858 5.029 4.170 0.002 0.000 0.310 404 I C 1.033 177.069 176.117 -0.135 0.000 1.043 404 I CA -0.615 60.622 61.300 -0.106 0.000 1.053 404 I CB 1.791 39.742 38.000 -0.083 0.000 1.242 404 I HN 1.600 nan 8.210 nan 0.000 0.452 405 G N 1.675 110.378 108.800 -0.162 0.000 2.632 405 G HA2 -0.188 3.773 3.960 0.002 0.000 0.224 405 G HA3 -0.188 3.773 3.960 0.002 0.000 0.224 405 G C -0.749 174.030 174.900 -0.202 0.000 1.341 405 G CA -0.564 44.411 45.100 -0.208 0.000 0.880 405 G HN 0.647 nan 8.290 nan 0.000 0.566 406 F N 1.496 121.380 119.950 -0.109 0.000 2.410 406 F HA 0.551 5.079 4.527 0.001 0.000 0.334 406 F C 1.446 177.155 175.800 -0.152 0.000 1.134 406 F CA 0.251 58.183 58.000 -0.113 0.000 1.227 406 F CB 1.156 40.095 39.000 -0.100 0.000 1.194 406 F HN 0.930 nan 8.300 nan 0.000 0.571 407 A N 4.222 127.122 122.820 0.134 0.000 2.489 407 A HA 0.165 4.486 4.320 0.002 0.000 0.289 407 A C 0.084 177.618 177.584 -0.084 0.000 1.216 407 A CA -0.504 51.515 52.037 -0.030 0.000 0.883 407 A CB -0.705 18.282 19.000 -0.021 0.000 1.110 407 A HN 0.593 nan 8.150 nan 0.000 0.523 408 Q N 2.094 121.793 119.800 -0.168 0.000 2.259 408 Q HA 0.189 4.530 4.340 0.002 0.000 0.246 408 Q C -0.135 175.778 176.000 -0.145 0.000 0.920 408 Q CA -0.225 55.437 55.803 -0.235 0.000 0.895 408 Q CB 1.303 29.719 28.738 -0.537 0.000 1.220 408 Q HN 0.623 nan 8.270 nan 0.000 0.439 409 K N 2.019 122.382 120.400 -0.061 0.000 2.414 409 K HA 0.273 4.594 4.320 0.002 0.000 0.272 409 K C -0.180 176.441 176.600 0.036 0.000 0.993 409 K CA 0.151 56.433 56.287 -0.009 0.000 0.964 409 K CB 0.386 32.901 32.500 0.025 0.000 0.925 409 K HN 0.415 nan 8.250 nan 0.000 0.487 410 L N 1.751 122.967 121.223 -0.012 0.000 2.401 410 L HA 0.248 4.589 4.340 0.002 0.000 0.266 410 L C -0.050 176.811 176.870 -0.015 0.000 0.991 410 L CA -1.103 53.733 54.840 -0.007 0.000 0.818 410 L CB 1.672 43.703 42.059 -0.047 0.000 1.321 410 L HN 0.504 nan 8.230 nan 0.000 0.413 411 N N 2.869 121.576 118.700 0.012 0.000 2.663 411 N HA 0.288 5.029 4.740 0.002 0.000 0.250 411 N C -1.314 174.211 175.510 0.026 0.000 1.129 411 N CA -0.121 52.945 53.050 0.026 0.000 0.995 411 N CB 0.104 38.609 38.487 0.030 0.000 1.324 411 N HN 0.398 nan 8.380 nan 0.000 0.512 412 L N 2.528 123.750 121.223 -0.002 0.000 2.334 412 L HA 0.589 4.930 4.340 0.002 0.000 0.276 412 L C -0.512 176.491 176.870 0.222 0.000 1.014 412 L CA -0.442 54.386 54.840 -0.019 0.000 0.815 412 L CB 1.414 43.263 42.059 -0.350 0.000 1.268 412 L HN 0.533 nan 8.230 nan 0.000 0.428 413 E N 2.650 123.019 120.200 0.282 0.000 2.383 413 E HA 0.450 4.801 4.350 0.002 0.000 0.275 413 E C -1.597 175.193 176.600 0.317 0.000 0.918 413 E CA -1.050 55.569 56.400 0.365 0.000 0.764 413 E CB 2.116 31.937 29.700 0.202 0.000 1.252 413 E HN 0.339 nan 8.360 nan 0.000 0.449 414 V N 2.013 122.070 119.914 0.239 0.000 2.455 414 V HA 0.127 4.248 4.120 0.002 0.000 0.273 414 V C -0.388 175.754 176.094 0.080 0.000 1.045 414 V CA -0.027 62.352 62.300 0.132 0.000 0.976 414 V CB 0.979 32.819 31.823 0.028 0.000 0.993 414 V HN 0.772 nan 8.190 nan 0.000 0.475 415 D N 3.938 124.384 120.400 0.076 0.000 2.358 415 D HA 0.148 4.789 4.640 0.002 0.000 0.244 415 D C 1.374 177.667 176.300 -0.011 0.000 1.163 415 D CA 0.688 54.717 54.000 0.048 0.000 0.945 415 D CB 1.993 42.844 40.800 0.086 0.000 1.152 415 D HN 0.713 nan 8.370 nan 0.000 0.451 416 S N 1.048 116.741 115.700 -0.013 0.000 2.383 416 S HA -0.133 4.338 4.470 0.002 0.000 0.227 416 S C 1.682 176.232 174.600 -0.084 0.000 1.026 416 S CA 0.893 59.073 58.200 -0.033 0.000 0.981 416 S CB -0.252 62.940 63.200 -0.014 0.000 0.818 416 S HN 0.475 nan 8.310 nan 0.000 0.472 417 A N 0.469 123.208 122.820 -0.135 0.000 2.261 417 A HA 0.218 4.539 4.320 0.002 0.000 0.208 417 A C 0.868 178.137 177.584 -0.525 0.000 1.223 417 A CA 0.300 52.160 52.037 -0.295 0.000 0.833 417 A CB -0.483 18.344 19.000 -0.287 0.000 0.830 417 A HN 0.390 nan 8.150 nan 0.000 0.483 418 Q N -0.554 119.072 119.800 -0.289 0.000 2.489 418 Q HA -0.166 4.175 4.340 0.002 0.000 0.259 418 Q C -0.453 175.461 176.000 -0.143 0.000 0.934 418 Q CA 1.239 56.929 55.803 -0.188 0.000 1.131 418 Q CB -2.384 26.270 28.738 -0.139 0.000 1.472 418 Q HN 0.869 nan 8.270 nan 0.000 0.560 419 H N -0.272 118.817 119.070 0.032 0.000 2.500 419 H HA 0.555 5.112 4.556 0.002 0.000 0.351 419 H C 0.924 176.283 175.328 0.051 0.000 1.281 419 H CA -0.614 55.455 56.048 0.033 0.000 1.368 419 H CB 0.624 30.404 29.762 0.030 0.000 1.616 419 H HN 0.050 nan 8.280 nan 0.000 0.591 420 L N 1.380 122.718 121.223 0.192 0.000 2.287 420 L HA 0.335 4.676 4.340 0.002 0.000 0.287 420 L C -0.481 176.454 176.870 0.109 0.000 1.022 420 L CA -0.771 54.148 54.840 0.132 0.000 0.814 420 L CB 1.474 43.565 42.059 0.053 0.000 1.217 420 L HN 0.086 nan 8.230 nan 0.000 0.420 421 V N 4.354 124.338 119.914 0.116 0.000 2.409 421 V HA 0.396 4.517 4.120 0.002 0.000 0.291 421 V C 0.081 176.221 176.094 0.076 0.000 1.020 421 V CA -0.667 61.688 62.300 0.091 0.000 0.848 421 V CB 2.180 34.060 31.823 0.095 0.000 0.990 421 V HN 0.424 nan 8.190 nan 0.000 0.430 422 V N 5.799 125.749 119.914 0.061 0.000 2.539 422 V HA 0.609 4.730 4.120 0.002 0.000 0.292 422 V C 0.137 176.256 176.094 0.042 0.000 1.045 422 V CA -0.800 61.530 62.300 0.051 0.000 0.945 422 V CB 1.520 33.376 31.823 0.054 0.000 0.993 422 V HN 0.849 nan 8.190 nan 0.000 0.464 423 R N 1.957 122.479 120.500 0.036 0.000 2.803 423 R HA 0.589 4.929 4.340 0.002 0.000 0.276 423 R C -1.217 175.091 176.300 0.013 0.000 0.978 423 R CA -0.855 55.262 56.100 0.027 0.000 0.939 423 R CB 1.978 32.297 30.300 0.031 0.000 1.179 423 R HN 0.895 nan 8.270 nan 0.000 0.472 424 D N -0.044 120.358 120.400 0.005 0.000 2.539 424 D HA 0.076 4.717 4.640 0.002 0.000 0.276 424 D C 1.280 177.568 176.300 -0.020 0.000 1.206 424 D CA -0.776 53.217 54.000 -0.013 0.000 1.081 424 D CB 0.219 41.011 40.800 -0.012 0.000 1.142 424 D HN 0.236 nan 8.370 nan 0.000 0.595 425 V N -2.691 117.202 119.914 -0.036 0.000 2.913 425 V HA -0.076 4.045 4.120 0.002 0.000 0.260 425 V C 1.368 177.451 176.094 -0.018 0.000 1.098 425 V CA 1.463 63.742 62.300 -0.035 0.000 1.121 425 V CB -0.910 30.882 31.823 -0.051 0.000 0.714 425 V HN 0.437 nan 8.190 nan 0.000 0.487 426 S N 0.117 115.810 115.700 -0.012 0.000 2.593 426 S HA 0.399 4.870 4.470 0.002 0.000 0.217 426 S C 0.982 175.583 174.600 0.002 0.000 0.966 426 S CA 0.442 58.639 58.200 -0.005 0.000 0.914 426 S CB -0.360 62.838 63.200 -0.003 0.000 0.776 426 S HN 0.626 nan 8.310 nan 0.000 0.523 427 L N 0.060 121.285 121.223 0.003 0.000 4.625 427 L HA -0.219 4.122 4.340 0.002 0.000 0.428 427 L C -0.064 176.815 176.870 0.015 0.000 1.129 427 L CA 0.248 55.095 54.840 0.011 0.000 0.978 427 L CB -1.599 40.469 42.059 0.014 0.000 2.043 427 L HN 0.355 nan 8.230 nan 0.000 0.847 428 Q N 1.285 121.092 119.800 0.012 0.000 2.274 428 Q HA 0.338 4.679 4.340 0.002 0.000 0.280 428 Q C 0.816 176.828 176.000 0.020 0.000 1.047 428 Q CA 1.128 56.939 55.803 0.014 0.000 0.907 428 Q CB 1.093 29.837 28.738 0.010 0.000 1.171 428 Q HN 0.313 nan 8.270 nan 0.000 0.381 429 G N 1.037 109.852 108.800 0.025 0.000 2.451 429 G HA2 0.406 4.367 3.960 0.002 0.000 0.303 429 G HA3 0.406 4.367 3.960 0.002 0.000 0.303 429 G C -0.782 174.136 174.900 0.029 0.000 1.166 429 G CA -0.317 44.802 45.100 0.032 0.000 0.884 429 G HN 0.440 nan 8.290 nan 0.000 0.514 430 S N -0.596 115.124 115.700 0.033 0.000 2.614 430 S HA 0.549 5.020 4.470 0.002 0.000 0.275 430 S C -0.093 174.525 174.600 0.030 0.000 1.161 430 S CA -0.642 57.574 58.200 0.027 0.000 0.969 430 S CB 1.185 64.400 63.200 0.025 0.000 1.059 430 S HN 0.667 nan 8.310 nan 0.000 0.482 431 T N 5.053 119.613 114.554 0.011 0.000 2.907 431 T HA 0.386 4.737 4.350 0.002 0.000 0.298 431 T C -0.066 174.628 174.700 -0.010 0.000 1.017 431 T CA -0.190 61.904 62.100 -0.010 0.000 1.118 431 T CB 0.200 69.016 68.868 -0.088 0.000 0.948 431 T HN 0.511 nan 8.240 nan 0.000 0.531 432 L N 2.273 123.497 121.223 0.001 0.000 2.307 432 L HA 0.686 5.027 4.340 0.002 0.000 0.282 432 L C 0.315 177.177 176.870 -0.014 0.000 1.051 432 L CA -0.863 53.987 54.840 0.017 0.000 0.804 432 L CB 1.153 43.238 42.059 0.044 0.000 1.197 432 L HN 0.707 nan 8.230 nan 0.000 0.431 433 A N 3.718 126.537 122.820 -0.001 0.000 2.374 433 A HA 0.800 5.121 4.320 0.002 0.000 0.317 433 A C -0.678 176.912 177.584 0.010 0.000 1.094 433 A CA -0.662 51.367 52.037 -0.014 0.000 0.765 433 A CB 1.560 20.543 19.000 -0.029 0.000 1.268 433 A HN 0.705 nan 8.150 nan 0.000 0.438 434 L N 0.361 121.587 121.223 0.004 0.000 2.375 434 L HA 0.701 5.042 4.340 0.002 0.000 0.271 434 L C -2.262 174.608 176.870 0.001 0.000 1.107 434 L CA -1.796 53.051 54.840 0.011 0.000 0.806 434 L CB 0.187 42.251 42.059 0.010 0.000 1.146 434 L HN 0.373 nan 8.230 nan 0.000 0.447 435 P HA 0.068 nan 4.420 nan 0.000 0.269 435 P C 0.163 177.453 177.300 -0.016 0.000 1.217 435 P CA -0.064 63.026 63.100 -0.015 0.000 0.783 435 P CB 0.271 31.965 31.700 -0.011 0.000 0.898 436 G N 1.269 110.051 108.800 -0.031 0.000 2.484 436 G HA2 0.271 4.232 3.960 0.002 0.000 0.235 436 G HA3 0.271 4.232 3.960 0.002 0.000 0.235 436 G C 0.448 175.343 174.900 -0.008 0.000 1.282 436 G CA -0.206 44.879 45.100 -0.025 0.000 0.857 436 G HN 0.633 nan 8.290 nan 0.000 0.571 443 P HA 0.284 nan 4.420 nan 0.000 0.268 443 P C 0.851 178.175 177.300 0.040 0.000 1.208 443 P CA 0.238 63.361 63.100 0.039 0.000 0.777 443 P CB 0.817 32.531 31.700 0.022 0.000 0.875 444 G N 0.908 109.721 108.800 0.022 0.000 2.422 444 G HA2 -0.251 3.710 3.960 0.002 0.000 0.218 444 G HA3 -0.251 3.710 3.960 0.002 0.000 0.218 444 G C 1.305 176.217 174.900 0.020 0.000 1.146 444 G CA 0.526 45.637 45.100 0.018 0.000 0.769 444 G HN 0.696 nan 8.290 nan 0.000 0.547 445 E N -0.232 119.981 120.200 0.022 0.000 2.051 445 E HA -0.133 4.218 4.350 0.002 0.000 0.192 445 E C 2.387 179.005 176.600 0.029 0.000 0.991 445 E CA 0.832 57.245 56.400 0.022 0.000 0.799 445 E CB -0.122 29.589 29.700 0.019 0.000 0.748 445 E HN 0.374 nan 8.360 nan 0.000 0.449 446 I N 1.304 121.902 120.570 0.048 0.000 2.202 446 I HA -0.216 3.955 4.170 0.002 0.000 0.242 446 I C 2.455 178.584 176.117 0.021 0.000 1.091 446 I CA 1.275 62.607 61.300 0.053 0.000 1.368 446 I CB -0.308 37.772 38.000 0.134 0.000 1.058 446 I HN 0.015 nan 8.210 nan 0.000 0.410 447 K N -0.031 120.382 120.400 0.021 0.000 2.063 447 K HA -0.302 4.019 4.320 0.002 0.000 0.208 447 K C 2.212 178.814 176.600 0.004 0.000 1.048 447 K CA 1.695 57.985 56.287 0.005 0.000 0.928 447 K CB -0.080 32.425 32.500 0.009 0.000 0.713 447 K HN 0.181 nan 8.250 nan 0.000 0.442 448 Q N 0.954 120.760 119.800 0.010 0.000 2.020 448 Q HA -0.193 4.148 4.340 0.002 0.000 0.202 448 Q C 1.891 177.898 176.000 0.011 0.000 0.982 448 Q CA 1.960 57.770 55.803 0.011 0.000 0.838 448 Q CB -0.130 28.616 28.738 0.012 0.000 0.899 448 Q HN 0.395 nan 8.270 nan 0.000 0.423 449 Q N -0.782 119.024 119.800 0.011 0.000 2.119 449 Q HA -0.097 4.243 4.340 0.002 0.000 0.201 449 Q C 1.832 177.835 176.000 0.004 0.000 0.972 449 Q CA 1.209 57.019 55.803 0.010 0.000 0.847 449 Q CB -0.075 28.671 28.738 0.012 0.000 0.903 449 Q HN 0.292 nan 8.270 nan 0.000 0.433 450 L N 0.672 121.891 121.223 -0.007 0.000 2.395 450 L HA -0.080 4.261 4.340 0.002 0.000 0.218 450 L C 1.585 178.445 176.870 -0.016 0.000 1.130 450 L CA 1.533 56.359 54.840 -0.024 0.000 0.826 450 L CB -0.019 42.011 42.059 -0.050 0.000 0.941 450 L HN 0.146 nan 8.230 nan 0.000 0.451 451 E N -1.024 119.174 120.200 -0.003 0.000 2.122 451 E HA -0.134 4.217 4.350 0.002 0.000 0.190 451 E C 1.868 178.485 176.600 0.027 0.000 0.977 451 E CA 0.615 57.020 56.400 0.009 0.000 0.820 451 E CB 0.123 29.828 29.700 0.009 0.000 0.770 451 E HN 0.520 nan 8.360 nan 0.000 0.462 452 E N 0.682 120.898 120.200 0.026 0.000 2.058 452 E HA -0.217 4.134 4.350 0.002 0.000 0.194 452 E C 2.089 178.720 176.600 0.052 0.000 0.997 452 E CA 0.790 57.212 56.400 0.036 0.000 0.801 452 E CB -0.040 29.677 29.700 0.029 0.000 0.746 452 E HN 0.089 nan 8.360 nan 0.000 0.450 453 L N 1.577 122.828 121.223 0.045 0.000 2.046 453 L HA -0.189 4.152 4.340 0.002 0.000 0.208 453 L C 2.210 179.145 176.870 0.109 0.000 1.077 453 L CA 1.844 56.723 54.840 0.064 0.000 0.747 453 L CB -0.299 41.778 42.059 0.031 0.000 0.896 453 L HN 0.079 nan 8.230 nan 0.000 0.432 454 E N -1.417 118.828 120.200 0.076 0.000 2.110 454 E HA -0.227 4.124 4.350 0.002 0.000 0.193 454 E C 2.221 178.947 176.600 0.209 0.000 0.988 454 E CA 1.164 57.630 56.400 0.110 0.000 0.804 454 E CB -0.042 29.673 29.700 0.026 0.000 0.745 454 E HN 0.577 nan 8.360 nan 0.000 0.458 455 S N 0.491 116.275 115.700 0.139 0.000 2.355 455 S HA -0.161 4.310 4.470 0.002 0.000 0.222 455 S C 1.560 176.243 174.600 0.139 0.000 1.031 455 S CA 1.536 59.812 58.200 0.127 0.000 0.993 455 S CB -0.250 62.998 63.200 0.079 0.000 0.859 455 S HN 0.287 nan 8.310 nan 0.000 0.453 456 D N -0.031 120.449 120.400 0.134 0.000 2.123 456 D HA -0.131 4.510 4.640 0.002 0.000 0.196 456 D C 1.431 177.830 176.300 0.165 0.000 0.992 456 D CA 1.135 55.208 54.000 0.122 0.000 0.833 456 D CB -0.500 40.362 40.800 0.104 0.000 0.954 456 D HN 0.675 nan 8.370 nan 0.000 0.455 457 W N 2.118 123.443 121.300 0.041 0.000 2.355 457 W HA -0.147 4.514 4.660 0.001 0.000 0.309 457 W C 2.429 178.998 176.519 0.083 0.000 1.206 457 W CA 1.452 58.829 57.345 0.053 0.000 1.284 457 W CB -0.099 29.371 29.460 0.016 0.000 1.145 457 W HN -0.170 nan 8.180 nan 0.000 0.502 458 R N 0.230 120.847 120.500 0.194 0.000 2.081 458 R HA -0.157 4.184 4.340 0.002 0.000 0.235 458 R C 2.196 178.456 176.300 -0.066 0.000 1.131 458 R CA 1.916 58.015 56.100 -0.003 0.000 0.960 458 R CB -0.438 29.968 30.300 0.177 0.000 0.856 458 R HN 0.209 nan 8.270 nan 0.000 0.436 459 K N 0.094 120.496 120.400 0.004 0.000 2.057 459 K HA -0.142 4.179 4.320 0.002 0.000 0.207 459 K C 2.276 178.877 176.600 0.002 0.000 1.049 459 K CA 1.049 57.342 56.287 0.010 0.000 0.931 459 K CB 0.023 32.544 32.500 0.035 0.000 0.714 459 K HN 0.072 nan 8.250 nan 0.000 0.440 460 Q N 0.130 119.921 119.800 -0.015 0.000 2.030 460 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 460 Q C 2.118 178.090 176.000 -0.047 0.000 0.986 460 Q CA 1.545 57.377 55.803 0.048 0.000 0.843 460 Q CB -0.545 28.216 28.738 0.038 0.000 0.904 460 Q HN 0.525 nan 8.270 nan 0.000 0.420 461 H N -0.081 118.735 119.070 -0.423 0.000 2.387 461 H HA -0.043 4.514 4.556 0.002 0.000 0.299 461 H C 1.690 176.884 175.328 -0.223 0.000 1.090 461 H CA 1.311 57.079 56.048 -0.466 0.000 1.332 461 H CB 0.402 29.616 29.762 -0.913 0.000 1.386 461 H HN 0.229 nan 8.280 nan 0.000 0.516 462 A N 1.033 123.769 122.820 -0.140 0.000 1.873 462 A HA -0.106 4.215 4.320 0.002 0.000 0.215 462 A C 2.730 180.261 177.584 -0.089 0.000 1.186 462 A CA 1.060 53.033 52.037 -0.106 0.000 0.616 462 A CB -0.827 18.150 19.000 -0.037 0.000 0.823 462 A HN 0.381 nan 8.150 nan 0.000 0.442 463 L N -1.874 119.353 121.223 0.007 0.000 2.012 463 L HA -0.186 4.155 4.340 0.002 0.000 0.210 463 L C 2.490 179.435 176.870 0.125 0.000 1.073 463 L CA 1.856 56.770 54.840 0.124 0.000 0.748 463 L CB -0.599 41.628 42.059 0.280 0.000 0.891 463 L HN 0.531 nan 8.230 nan 0.000 0.431 464 F N 1.025 120.845 119.950 -0.216 0.000 2.095 464 F HA -0.271 4.257 4.527 0.002 0.000 0.298 464 F C 2.796 178.364 175.800 -0.386 0.000 1.104 464 F CA 1.690 59.349 58.000 -0.568 0.000 1.232 464 F CB -0.592 37.644 39.000 -1.273 0.000 0.987 464 F HN 0.153 nan 8.300 nan 0.000 0.475 465 S N -0.789 114.500 115.700 -0.684 0.000 2.402 465 S HA -0.212 4.259 4.470 0.002 0.000 0.229 465 S C 1.926 176.282 174.600 -0.406 0.000 1.021 465 S CA 1.211 59.011 58.200 -0.667 0.000 0.974 465 S CB -0.840 62.072 63.200 -0.481 0.000 0.800 465 S HN 0.658 nan 8.310 nan 0.000 0.484 466 E N 1.224 121.271 120.200 -0.254 0.000 2.482 466 E HA -0.082 4.269 4.350 0.002 0.000 0.196 466 E C 1.935 178.469 176.600 -0.110 0.000 1.047 466 E CA 0.784 57.098 56.400 -0.144 0.000 0.869 466 E CB 0.036 29.692 29.700 -0.075 0.000 0.836 466 E HN 0.937 nan 8.360 nan 0.000 0.520 467 Q N -0.753 118.961 119.800 -0.142 0.000 2.157 467 Q HA -0.003 4.338 4.340 0.002 0.000 0.235 467 Q C 1.724 177.662 176.000 -0.102 0.000 0.803 467 Q CA -0.276 55.501 55.803 -0.043 0.000 0.967 467 Q CB -0.011 28.801 28.738 0.122 0.000 1.150 467 Q HN 0.032 nan 8.270 nan 0.000 0.482 468 Q N 2.535 122.128 119.800 -0.345 0.000 2.369 468 Q HA -0.078 4.263 4.340 0.002 0.000 0.206 468 Q C -0.177 175.710 176.000 -0.187 0.000 0.963 468 Q CA 0.832 56.416 55.803 -0.364 0.000 0.894 468 Q CB -0.146 28.084 28.738 -0.846 0.000 0.965 468 Q HN 0.327 nan 8.270 nan 0.000 0.475 469 K N 1.122 121.421 120.400 -0.168 0.000 2.199 469 K HA 0.218 4.539 4.320 0.002 0.000 0.226 469 K C -0.689 175.864 176.600 -0.078 0.000 1.237 469 K CA -0.131 56.087 56.287 -0.114 0.000 1.170 469 K CB -0.423 32.012 32.500 -0.109 0.000 1.418 469 K HN 0.132 nan 8.250 nan 0.000 0.255 470 C N 3.683 122.945 119.300 -0.063 0.000 2.381 470 C HA 0.329 4.790 4.460 0.002 0.000 0.328 470 C C 1.260 176.167 174.990 -0.137 0.000 1.190 470 C CA -1.206 57.784 59.018 -0.048 0.000 1.369 470 C CB -0.132 27.652 27.740 0.072 0.000 2.029 470 C HN 0.919 nan 8.230 nan 0.000 0.448 471 L N 4.444 125.434 121.223 -0.389 0.000 2.079 471 L HA 0.060 4.401 4.340 0.002 0.000 0.210 471 L C 1.425 178.040 176.870 -0.425 0.000 1.081 471 L CA 2.297 56.806 54.840 -0.552 0.000 0.752 471 L CB -0.456 41.023 42.059 -0.966 0.000 0.896 471 L HN 0.822 nan 8.230 nan 0.000 0.433 472 F N -0.693 119.299 119.950 0.071 0.000 2.731 472 F HA 0.216 4.744 4.527 0.002 0.000 0.304 472 F C 0.409 176.317 175.800 0.180 0.000 1.133 472 F CA -0.493 57.559 58.000 0.086 0.000 1.380 472 F CB -0.162 38.872 39.000 0.056 0.000 1.079 472 F HN -0.164 nan 8.300 nan 0.000 0.550 473 I N 1.867 122.586 120.570 0.247 0.000 2.406 473 I HA 0.342 4.513 4.170 0.002 0.000 0.290 473 I C -2.481 173.754 176.117 0.196 0.000 0.999 473 I CA -3.161 58.266 61.300 0.212 0.000 1.124 473 I CB 1.101 39.200 38.000 0.165 0.000 1.289 473 I HN -0.213 nan 8.210 nan 0.000 0.441 474 P HA 0.180 nan 4.420 nan 0.000 0.271 474 P C 1.167 178.601 177.300 0.224 0.000 1.216 474 P CA -0.130 63.077 63.100 0.178 0.000 0.776 474 P CB 0.862 32.644 31.700 0.136 0.000 0.881 475 G N 2.990 111.880 108.800 0.150 0.000 2.469 475 G HA2 -0.292 3.669 3.960 0.002 0.000 0.220 475 G HA3 -0.292 3.669 3.960 0.002 0.000 0.220 475 G C 1.011 175.992 174.900 0.135 0.000 1.136 475 G CA 0.982 46.156 45.100 0.123 0.000 0.759 475 G HN 0.592 nan 8.290 nan 0.000 0.562 476 D N 0.155 120.622 120.400 0.112 0.000 2.149 476 D HA -0.185 4.456 4.640 0.002 0.000 0.198 476 D C 2.023 178.330 176.300 0.011 0.000 0.990 476 D CA 0.884 54.896 54.000 0.019 0.000 0.839 476 D CB -0.890 39.866 40.800 -0.074 0.000 0.948 476 D HN 0.537 nan 8.370 nan 0.000 0.460 477 W N 0.291 121.619 121.300 0.046 0.000 2.355 477 W HA -0.018 4.642 4.660 0.001 0.000 0.309 477 W C 2.250 178.828 176.519 0.099 0.000 1.206 477 W CA 0.179 57.567 57.345 0.072 0.000 1.284 477 W CB -0.573 28.943 29.460 0.095 0.000 1.145 477 W HN -0.043 nan 8.180 nan 0.000 0.502 478 L N 0.358 121.797 121.223 0.360 0.000 2.127 478 L HA -0.098 4.243 4.340 0.002 0.000 0.211 478 L C 2.483 179.501 176.870 0.248 0.000 1.089 478 L CA 2.126 57.169 54.840 0.339 0.000 0.757 478 L CB -1.906 40.301 42.059 0.246 0.000 0.899 478 L HN 0.124 nan 8.230 nan 0.000 0.434 479 G N -1.175 107.712 108.800 0.144 0.000 2.421 479 G HA2 -0.273 3.688 3.960 0.002 0.000 0.216 479 G HA3 -0.273 3.688 3.960 0.002 0.000 0.216 479 G C 1.916 176.840 174.900 0.040 0.000 1.171 479 G CA 0.566 45.714 45.100 0.079 0.000 0.775 479 G HN 0.279 nan 8.290 nan 0.000 0.543 480 R N -0.360 120.150 120.500 0.016 0.000 2.096 480 R HA -0.030 4.311 4.340 0.002 0.000 0.235 480 R C 2.574 178.859 176.300 -0.024 0.000 1.127 480 R CA 1.043 57.133 56.100 -0.017 0.000 0.968 480 R CB -0.235 30.028 30.300 -0.061 0.000 0.861 480 R HN 0.311 nan 8.270 nan 0.000 0.440 481 I N 0.545 121.083 120.570 -0.052 0.000 2.163 481 I HA -0.212 3.959 4.170 0.002 0.000 0.240 481 I C 2.285 178.148 176.117 -0.423 0.000 1.081 481 I CA 1.327 62.445 61.300 -0.304 0.000 1.353 481 I CB -1.236 36.357 38.000 -0.678 0.000 1.054 481 I HN 0.131 nan 8.210 nan 0.000 0.407 482 E N 1.582 121.620 120.200 -0.270 0.000 2.097 482 E HA -0.197 4.154 4.350 0.002 0.000 0.196 482 E C 2.190 178.807 176.600 0.027 0.000 1.000 482 E CA 1.914 58.296 56.400 -0.030 0.000 0.804 482 E CB -0.204 29.615 29.700 0.200 0.000 0.740 482 E HN 0.408 nan 8.360 nan 0.000 0.454 483 A N 0.169 122.996 122.820 0.012 0.000 1.902 483 A HA -0.185 4.136 4.320 0.002 0.000 0.217 483 A C 2.410 180.010 177.584 0.026 0.000 1.181 483 A CA 2.329 54.381 52.037 0.025 0.000 0.623 483 A CB -1.043 17.962 19.000 0.008 0.000 0.818 483 A HN 0.447 nan 8.150 nan 0.000 0.443 484 S N -0.156 115.543 115.700 -0.000 0.000 2.399 484 S HA -0.062 4.409 4.470 0.002 0.000 0.231 484 S C 1.833 176.478 174.600 0.075 0.000 1.022 484 S CA 1.441 59.655 58.200 0.023 0.000 0.983 484 S CB -0.607 62.602 63.200 0.015 0.000 0.803 484 S HN 0.432 nan 8.310 nan 0.000 0.480 485 L N 0.527 121.793 121.223 0.071 0.000 2.179 485 L HA 0.015 4.356 4.340 0.002 0.000 0.208 485 L C 3.059 180.192 176.870 0.438 0.000 1.096 485 L CA 0.750 55.731 54.840 0.236 0.000 0.779 485 L CB -0.436 41.677 42.059 0.091 0.000 0.922 485 L HN 0.272 nan 8.230 nan 0.000 0.443 486 Q N -0.213 119.737 119.800 0.250 0.000 2.119 486 Q HA -0.231 4.110 4.340 0.002 0.000 0.201 486 Q C 1.786 177.821 176.000 0.059 0.000 0.972 486 Q CA 1.393 57.303 55.803 0.178 0.000 0.847 486 Q CB -0.418 28.382 28.738 0.103 0.000 0.903 486 Q HN 0.472 nan 8.270 nan 0.000 0.433 487 D N 0.102 120.535 120.400 0.054 0.000 2.104 487 D HA -0.126 4.515 4.640 0.002 0.000 0.194 487 D C 1.885 178.164 176.300 -0.036 0.000 0.994 487 D CA 1.066 55.067 54.000 0.002 0.000 0.830 487 D CB 0.331 41.140 40.800 0.014 0.000 0.959 487 D HN 0.059 nan 8.370 nan 0.000 0.452 488 V N 0.835 120.760 119.914 0.018 0.000 2.307 488 V HA -0.135 3.986 4.120 0.002 0.000 0.245 488 V C 2.707 178.593 176.094 -0.347 0.000 1.045 488 V CA 1.894 64.165 62.300 -0.048 0.000 1.024 488 V CB -1.064 30.850 31.823 0.152 0.000 0.651 488 V HN 0.300 nan 8.190 nan 0.000 0.449 489 G N -0.279 108.135 108.800 -0.643 0.000 2.440 489 G HA2 -0.233 3.728 3.960 0.002 0.000 0.218 489 G HA3 -0.233 3.728 3.960 0.002 0.000 0.218 489 G C 1.747 176.261 174.900 -0.644 0.000 1.154 489 G CA 1.142 45.472 45.100 -1.283 0.000 0.767 489 G HN 0.616 nan 8.290 nan 0.000 0.552 490 A N 0.077 122.681 122.820 -0.360 0.000 1.930 490 A HA -0.031 4.290 4.320 0.002 0.000 0.217 490 A C 2.307 179.771 177.584 -0.201 0.000 1.175 490 A CA 1.773 53.672 52.037 -0.230 0.000 0.627 490 A CB -0.356 18.561 19.000 -0.138 0.000 0.815 490 A HN 0.438 nan 8.150 nan 0.000 0.443 491 Q N -1.032 118.654 119.800 -0.190 0.000 2.167 491 Q HA -0.041 4.300 4.340 0.002 0.000 0.202 491 Q C 2.016 177.915 176.000 -0.168 0.000 0.970 491 Q CA 1.276 56.990 55.803 -0.148 0.000 0.855 491 Q CB -0.162 28.509 28.738 -0.113 0.000 0.911 491 Q HN 0.824 nan 8.270 nan 0.000 0.438 492 I N 0.053 120.484 120.570 -0.232 0.000 2.406 492 I HA -0.207 3.964 4.170 0.002 0.000 0.249 492 I C 2.015 178.008 176.117 -0.207 0.000 1.122 492 I CA 0.787 61.956 61.300 -0.219 0.000 1.431 492 I CB 0.129 37.975 38.000 -0.257 0.000 1.087 492 I HN 0.056 nan 8.210 nan 0.000 0.424 493 R N 0.172 120.528 120.500 -0.239 0.000 2.092 493 R HA -0.182 4.159 4.340 0.002 0.000 0.231 493 R C 2.329 178.542 176.300 -0.146 0.000 1.119 493 R CA 1.356 57.342 56.100 -0.190 0.000 0.970 493 R CB -0.321 29.858 30.300 -0.202 0.000 0.864 493 R HN 0.491 nan 8.270 nan 0.000 0.440 494 Q N 0.066 119.781 119.800 -0.141 0.000 2.167 494 Q HA -0.085 4.256 4.340 0.002 0.000 0.202 494 Q C 1.832 177.756 176.000 -0.126 0.000 0.970 494 Q CA 1.381 57.115 55.803 -0.115 0.000 0.855 494 Q CB 0.078 28.755 28.738 -0.102 0.000 0.911 494 Q HN 0.370 nan 8.270 nan 0.000 0.438 495 A N 1.052 123.785 122.820 -0.145 0.000 2.014 495 A HA -0.136 4.185 4.320 0.002 0.000 0.218 495 A C 1.011 178.473 177.584 -0.203 0.000 1.163 495 A CA 0.739 52.672 52.037 -0.173 0.000 0.652 495 A CB -0.170 18.735 19.000 -0.159 0.000 0.808 495 A HN 0.528 nan 8.150 nan 0.000 0.449 496 Q N 0.360 120.066 119.800 -0.156 0.000 2.771 496 Q HA 0.466 4.807 4.340 0.002 0.000 0.239 496 Q C -0.972 174.966 176.000 -0.103 0.000 1.231 496 Q CA -0.513 55.211 55.803 -0.133 0.000 1.056 496 Q CB 0.532 29.208 28.738 -0.103 0.000 1.284 496 Q HN 0.350 nan 8.270 nan 0.000 0.558 497 Q N 0.000 119.737 119.800 -0.104 0.000 2.315 497 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 497 Q CA 0.000 55.764 55.803 -0.066 0.000 1.022 497 Q CB 0.000 28.700 28.738 -0.064 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481