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 2c67_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.506 175.510 -0.007 0.000 1.280 3 N CA 0.000 52.940 53.050 -0.184 0.000 0.885 3 N CB 0.000 38.410 38.487 -0.128 0.000 1.341 4 K N 0.958 121.370 120.400 0.020 0.000 2.185 4 K HA 0.619 4.939 4.320 -0.000 0.000 0.269 4 K C -0.362 176.277 176.600 0.065 0.000 0.987 4 K CA -0.578 55.734 56.287 0.041 0.000 0.865 4 K CB 1.930 34.440 32.500 0.016 0.000 1.090 4 K HN 0.567 nan 8.250 nan 0.000 0.450 5 C N -1.032 118.311 119.300 0.072 0.000 3.336 5 C HA 0.402 4.862 4.460 -0.000 0.000 0.339 5 C C 0.661 175.688 174.990 0.061 0.000 1.468 5 C CA -0.791 58.270 59.018 0.071 0.000 1.287 5 C CB 0.927 28.721 27.740 0.091 0.000 1.682 5 C HN 0.789 nan 8.230 nan 0.000 0.451 6 D N 0.288 120.727 120.400 0.065 0.000 2.120 6 D HA 0.130 4.770 4.640 -0.000 0.000 0.202 6 D C 0.340 176.708 176.300 0.113 0.000 0.972 6 D CA 1.701 55.750 54.000 0.081 0.000 0.837 6 D CB 0.219 41.065 40.800 0.077 0.000 0.989 6 D HN 0.491 nan 8.370 nan 0.000 0.469 7 V N 1.384 121.354 119.914 0.093 0.000 2.686 7 V HA 0.262 4.382 4.120 -0.000 0.000 0.306 7 V C -0.177 175.950 176.094 0.055 0.000 1.065 7 V CA -0.845 61.512 62.300 0.096 0.000 0.894 7 V CB 2.804 34.671 31.823 0.073 0.000 1.004 7 V HN -0.242 nan 8.190 nan 0.000 0.424 8 V N 5.219 125.161 119.914 0.046 0.000 2.407 8 V HA 0.417 4.537 4.120 -0.000 0.000 0.278 8 V C -0.083 176.006 176.094 -0.010 0.000 1.037 8 V CA -0.402 61.896 62.300 -0.003 0.000 0.900 8 V CB 1.864 33.681 31.823 -0.010 0.000 0.983 8 V HN 0.639 nan 8.190 nan 0.000 0.459 9 V N 6.230 126.123 119.914 -0.035 0.000 2.370 9 V HA 0.338 4.458 4.120 -0.000 0.000 0.283 9 V C -0.018 176.050 176.094 -0.043 0.000 1.023 9 V CA -0.582 61.703 62.300 -0.025 0.000 0.857 9 V CB 1.794 33.605 31.823 -0.019 0.000 0.985 9 V HN 0.598 nan 8.190 nan 0.000 0.443 10 V N 4.577 124.479 119.914 -0.019 0.000 2.368 10 V HA 0.800 4.920 4.120 -0.000 0.000 0.266 10 V C 0.680 176.778 176.094 0.007 0.000 1.045 10 V CA 0.415 62.704 62.300 -0.017 0.000 0.899 10 V CB 0.449 32.279 31.823 0.013 0.000 1.006 10 V HN 1.267 nan 8.190 nan 0.000 0.470 11 G N 3.626 112.416 108.800 -0.016 0.000 3.367 11 G HA2 0.177 4.137 3.960 -0.000 0.000 0.686 11 G HA3 0.177 4.137 3.960 -0.000 0.000 0.686 11 G C 0.066 174.967 174.900 0.002 0.000 1.146 11 G CA -0.510 44.593 45.100 0.005 0.000 0.913 11 G HN 1.219 nan 8.290 nan 0.000 0.554 12 G N 0.886 109.684 108.800 -0.003 0.000 4.125 12 G HA2 0.683 4.643 3.960 -0.000 0.000 0.301 12 G HA3 0.683 4.643 3.960 -0.000 0.000 0.301 12 G C 0.891 175.806 174.900 0.024 0.000 1.273 12 G CA 0.909 46.008 45.100 -0.001 0.000 1.095 12 G HN 1.283 nan 8.290 nan 0.000 0.582 13 G N -0.101 108.725 108.800 0.044 0.000 2.553 13 G HA2 0.333 4.293 3.960 -0.000 0.000 0.278 13 G HA3 0.333 4.293 3.960 -0.000 0.000 0.278 13 G C 1.205 176.131 174.900 0.044 0.000 1.349 13 G CA -0.746 44.389 45.100 0.059 0.000 1.037 13 G HN 0.155 nan 8.290 nan 0.000 0.508 14 I N -0.571 120.027 120.570 0.048 0.000 2.208 14 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 14 I C 3.014 179.154 176.117 0.038 0.000 1.097 14 I CA 1.616 62.936 61.300 0.034 0.000 1.363 14 I CB -0.110 37.913 38.000 0.038 0.000 1.051 14 I HN 0.469 nan 8.210 nan 0.000 0.413 15 S N 0.512 116.247 115.700 0.059 0.000 2.355 15 S HA -0.118 4.352 4.470 -0.000 0.000 0.222 15 S C 2.109 176.737 174.600 0.045 0.000 1.031 15 S CA 1.582 59.821 58.200 0.065 0.000 0.993 15 S CB -0.582 62.676 63.200 0.096 0.000 0.859 15 S HN 0.570 nan 8.310 nan 0.000 0.453 16 G N 1.509 110.335 108.800 0.043 0.000 2.418 16 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 16 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 16 G C 1.445 176.348 174.900 0.005 0.000 1.158 16 G CA 0.965 46.079 45.100 0.024 0.000 0.771 16 G HN 0.392 nan 8.290 nan 0.000 0.545 17 M N 1.216 120.818 119.600 0.003 0.000 2.132 17 M HA 0.090 4.570 4.480 -0.000 0.000 0.263 17 M C 2.989 179.282 176.300 -0.013 0.000 1.065 17 M CA 1.181 56.473 55.300 -0.013 0.000 1.122 17 M CB -1.324 31.265 32.600 -0.018 0.000 1.365 17 M HN 0.312 nan 8.290 nan 0.000 0.411 18 A N 0.163 122.981 122.820 -0.003 0.000 1.902 18 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 18 A C 2.450 180.031 177.584 -0.004 0.000 1.181 18 A CA 2.028 54.063 52.037 -0.003 0.000 0.623 18 A CB -0.873 18.131 19.000 0.007 0.000 0.818 18 A HN 0.463 nan 8.150 nan 0.000 0.443 19 A N -0.047 122.772 122.820 -0.003 0.000 1.877 19 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 19 A C 2.528 180.107 177.584 -0.009 0.000 1.186 19 A CA 2.135 54.164 52.037 -0.013 0.000 0.620 19 A CB -1.088 17.906 19.000 -0.010 0.000 0.822 19 A HN 1.051 nan 8.150 nan 0.000 0.443 20 A N -0.254 122.563 122.820 -0.005 0.000 1.902 20 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 20 A C 2.149 179.748 177.584 0.026 0.000 1.181 20 A CA 2.078 54.117 52.037 0.002 0.000 0.623 20 A CB -0.496 18.493 19.000 -0.018 0.000 0.818 20 A HN 0.565 nan 8.150 nan 0.000 0.443 21 K N -0.493 119.913 120.400 0.010 0.000 2.032 21 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 21 K C 2.002 178.642 176.600 0.066 0.000 1.048 21 K CA 1.573 57.880 56.287 0.034 0.000 0.927 21 K CB -0.319 32.183 32.500 0.003 0.000 0.712 21 K HN 0.459 nan 8.250 nan 0.000 0.441 22 L N 1.112 122.350 121.223 0.025 0.000 2.017 22 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 22 L C 2.180 179.055 176.870 0.008 0.000 1.073 22 L CA 1.215 56.060 54.840 0.008 0.000 0.745 22 L CB -0.154 41.894 42.059 -0.018 0.000 0.894 22 L HN 0.250 nan 8.230 nan 0.000 0.432 23 L N -1.118 120.112 121.223 0.011 0.000 2.046 23 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 23 L C 2.607 179.497 176.870 0.032 0.000 1.077 23 L CA 1.535 56.377 54.840 0.004 0.000 0.747 23 L CB -0.880 41.178 42.059 -0.001 0.000 0.896 23 L HN 0.409 nan 8.230 nan 0.000 0.432 24 H N 0.395 119.453 119.070 -0.021 0.000 2.319 24 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 24 H C 1.801 177.120 175.328 -0.014 0.000 1.092 24 H CA 2.143 58.182 56.048 -0.014 0.000 1.302 24 H CB -0.006 29.748 29.762 -0.014 0.000 1.373 24 H HN 0.222 nan 8.280 nan 0.000 0.497 25 D N -0.653 119.748 120.400 0.003 0.000 2.263 25 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 25 D C 1.843 178.096 176.300 -0.080 0.000 0.971 25 D CA 1.140 55.111 54.000 -0.049 0.000 0.867 25 D CB -0.168 40.644 40.800 0.020 0.000 0.929 25 D HN 0.342 nan 8.370 nan 0.000 0.492 26 S N -1.169 114.492 115.700 -0.065 0.000 2.558 26 S HA 0.252 4.722 4.470 -0.000 0.000 0.217 26 S C 1.590 176.146 174.600 -0.073 0.000 0.975 26 S CA 0.592 58.757 58.200 -0.059 0.000 0.912 26 S CB 0.764 63.937 63.200 -0.045 0.000 0.776 26 S HN 0.442 nan 8.310 nan 0.000 0.526 27 G N 0.909 109.641 108.800 -0.114 0.000 2.163 27 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 27 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 27 G C -0.054 174.800 174.900 -0.076 0.000 0.991 27 G CA -0.429 44.603 45.100 -0.114 0.000 0.653 27 G HN 0.400 nan 8.290 nan 0.000 0.518 28 L N 0.704 121.895 121.223 -0.053 0.000 2.399 28 L HA 0.428 4.768 4.340 -0.000 0.000 0.266 28 L C 0.086 176.966 176.870 0.017 0.000 1.114 28 L CA -1.036 53.799 54.840 -0.009 0.000 0.804 28 L CB 0.678 42.739 42.059 0.004 0.000 1.146 28 L HN 0.005 nan 8.230 nan 0.000 0.451 29 N N 2.067 120.790 118.700 0.038 0.000 2.406 29 N HA 0.268 5.008 4.740 -0.000 0.000 0.251 29 N C -0.644 174.909 175.510 0.072 0.000 1.069 29 N CA -0.100 52.988 53.050 0.064 0.000 0.947 29 N CB 1.527 40.046 38.487 0.054 0.000 1.111 29 N HN 0.353 nan 8.380 nan 0.000 0.497 30 V N 0.205 120.172 119.914 0.088 0.000 2.815 30 V HA 0.747 4.867 4.120 -0.000 0.000 0.314 30 V C -0.095 176.022 176.094 0.038 0.000 1.064 30 V CA -0.714 61.622 62.300 0.060 0.000 0.952 30 V CB 1.997 33.854 31.823 0.057 0.000 1.020 30 V HN 0.156 nan 8.190 nan 0.000 0.439 31 V N 3.599 123.516 119.914 0.006 0.000 2.709 31 V HA 0.534 4.654 4.120 -0.000 0.000 0.308 31 V C -0.392 175.647 176.094 -0.092 0.000 1.062 31 V CA -0.517 61.758 62.300 -0.042 0.000 0.901 31 V CB 2.132 33.924 31.823 -0.052 0.000 1.003 31 V HN 0.848 nan 8.190 nan 0.000 0.425 32 V N 6.132 125.984 119.914 -0.104 0.000 2.370 32 V HA 0.461 4.581 4.120 -0.000 0.000 0.283 32 V C -0.224 175.774 176.094 -0.160 0.000 1.023 32 V CA -0.449 61.786 62.300 -0.108 0.000 0.857 32 V CB 1.503 33.283 31.823 -0.072 0.000 0.985 32 V HN 0.613 nan 8.190 nan 0.000 0.443 33 L N 4.592 125.704 121.223 -0.185 0.000 2.262 33 L HA 0.588 4.928 4.340 -0.000 0.000 0.288 33 L C -0.153 176.634 176.870 -0.139 0.000 1.035 33 L CA -0.343 54.369 54.840 -0.212 0.000 0.820 33 L CB 1.373 43.265 42.059 -0.277 0.000 1.204 33 L HN 0.622 nan 8.230 nan 0.000 0.424 34 E N 2.377 122.501 120.200 -0.127 0.000 2.158 34 E HA 0.480 4.830 4.350 -0.000 0.000 0.271 34 E C 0.367 176.865 176.600 -0.171 0.000 0.911 34 E CA -0.308 56.021 56.400 -0.119 0.000 0.767 34 E CB 2.044 31.697 29.700 -0.079 0.000 1.120 34 E HN 0.552 nan 8.360 nan 0.000 0.405 35 A N 5.490 128.146 122.820 -0.273 0.000 1.902 35 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 35 A C 1.070 178.429 177.584 -0.375 0.000 1.181 35 A CA 1.039 52.779 52.037 -0.494 0.000 0.623 35 A CB -0.211 18.110 19.000 -1.133 0.000 0.818 35 A HN 0.613 nan 8.150 nan 0.000 0.443 36 R N -0.086 120.272 120.500 -0.236 0.000 2.580 36 R HA 0.232 4.572 4.340 -0.000 0.000 0.267 36 R C 0.192 176.454 176.300 -0.063 0.000 1.125 36 R CA 0.148 56.187 56.100 -0.102 0.000 1.188 36 R CB 0.149 30.429 30.300 -0.033 0.000 1.155 36 R HN 0.469 nan 8.270 nan 0.000 0.586 37 D N 0.423 120.804 120.400 -0.032 0.000 2.324 37 D HA -0.046 4.594 4.640 -0.000 0.000 0.235 37 D C -0.084 176.216 176.300 -0.000 0.000 1.095 37 D CA 0.164 54.154 54.000 -0.017 0.000 0.871 37 D CB -0.037 40.758 40.800 -0.008 0.000 0.906 37 D HN 0.433 nan 8.370 nan 0.000 0.522 38 R N -1.181 119.321 120.500 0.003 0.000 2.739 38 R HA 0.579 4.919 4.340 -0.000 0.000 0.271 38 R C -0.602 175.718 176.300 0.034 0.000 1.010 38 R CA -1.117 55.003 56.100 0.034 0.000 0.897 38 R CB 1.248 31.592 30.300 0.073 0.000 1.236 38 R HN -0.099 nan 8.270 nan 0.000 0.466 39 V N -1.426 118.516 119.914 0.046 0.000 3.262 39 V HA 0.846 4.966 4.120 -0.000 0.000 0.313 39 V C 0.948 177.096 176.094 0.091 0.000 1.070 39 V CA 0.472 62.800 62.300 0.045 0.000 1.049 39 V CB 0.777 32.612 31.823 0.020 0.000 1.157 39 V HN 1.188 nan 8.190 nan 0.000 0.454 40 G N -0.734 108.118 108.800 0.087 0.000 2.339 40 G HA2 0.138 4.098 3.960 -0.000 0.000 0.209 40 G HA3 0.138 4.098 3.960 -0.000 0.000 0.209 40 G C 1.612 176.600 174.900 0.147 0.000 1.015 40 G CA 0.768 45.940 45.100 0.121 0.000 0.635 40 G HN 2.594 nan 8.290 nan 0.000 0.499 41 G N 0.631 109.531 108.800 0.165 0.000 2.646 41 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.324 41 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.324 41 G C 0.994 176.058 174.900 0.272 0.000 1.195 41 G CA 1.558 46.775 45.100 0.195 0.000 0.976 41 G HN 1.183 nan 8.290 nan 0.000 0.546 42 R N 1.842 122.409 120.500 0.111 0.000 2.323 42 R HA 0.213 4.553 4.340 -0.000 0.000 0.198 42 R C 1.116 177.308 176.300 -0.180 0.000 0.988 42 R CA 1.067 57.053 56.100 -0.189 0.000 1.041 42 R CB -0.160 30.007 30.300 -0.221 0.000 0.926 42 R HN 0.711 nan 8.270 nan 0.000 0.476 43 T N -2.440 112.163 114.554 0.081 0.000 2.867 43 T HA 0.366 4.716 4.350 -0.000 0.000 0.282 43 T C -0.937 173.990 174.700 0.378 0.000 1.000 43 T CA -0.625 61.574 62.100 0.166 0.000 1.042 43 T CB 1.610 70.543 68.868 0.108 0.000 0.973 43 T HN 0.108 nan 8.240 nan 0.000 0.465 44 Y N 1.093 121.541 120.300 0.247 0.000 2.313 44 Y HA 0.418 4.968 4.550 -0.000 0.000 0.320 44 Y C -1.239 174.775 175.900 0.190 0.000 1.171 44 Y CA -0.794 57.452 58.100 0.242 0.000 1.093 44 Y CB 1.494 40.160 38.460 0.343 0.000 1.224 44 Y HN 0.888 nan 8.280 nan 0.000 0.421 45 T N 7.768 122.160 114.554 -0.271 0.000 2.770 45 T HA 0.413 4.763 4.350 -0.000 0.000 0.297 45 T C -0.906 173.482 174.700 -0.520 0.000 0.997 45 T CA -0.402 61.535 62.100 -0.272 0.000 0.949 45 T CB 0.600 69.417 68.868 -0.085 0.000 0.941 45 T HN 0.564 nan 8.240 nan 0.000 0.457 46 L N 4.492 125.421 121.223 -0.490 0.000 2.305 46 L HA 0.637 4.977 4.340 -0.000 0.000 0.281 46 L C -0.299 176.497 176.870 -0.124 0.000 1.085 46 L CA -0.148 54.477 54.840 -0.358 0.000 0.813 46 L CB 0.485 42.415 42.059 -0.216 0.000 1.157 46 L HN 0.432 nan 8.230 nan 0.000 0.436 47 R N 3.595 124.048 120.500 -0.079 0.000 2.437 47 R HA 0.644 4.984 4.340 -0.000 0.000 0.310 47 R C -1.019 175.257 176.300 -0.040 0.000 0.955 47 R CA -0.567 55.511 56.100 -0.036 0.000 0.851 47 R CB 1.288 31.578 30.300 -0.015 0.000 1.161 47 R HN 0.892 nan 8.270 nan 0.000 0.446 48 N N -1.041 117.619 118.700 -0.067 0.000 3.020 48 N HA 0.081 4.821 4.740 -0.000 0.000 0.248 48 N C -0.060 175.388 175.510 -0.103 0.000 1.480 48 N CA -0.864 52.144 53.050 -0.071 0.000 0.874 48 N CB 0.698 39.149 38.487 -0.061 0.000 1.433 48 N HN 0.189 nan 8.380 nan 0.000 0.530 49 Q N -0.347 119.401 119.800 -0.086 0.000 2.124 49 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 49 Q C 0.638 176.589 176.000 -0.083 0.000 0.977 49 Q CA 1.331 57.096 55.803 -0.063 0.000 0.850 49 Q CB -0.037 28.672 28.738 -0.048 0.000 0.901 49 Q HN 0.514 nan 8.270 nan 0.000 0.429 50 K N -0.007 120.246 120.400 -0.244 0.000 2.155 50 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 50 K C 1.988 178.373 176.600 -0.358 0.000 1.052 50 K CA 1.178 57.211 56.287 -0.422 0.000 0.948 50 K CB 0.074 31.946 32.500 -1.047 0.000 0.728 50 K HN 0.273 nan 8.250 nan 0.000 0.448 51 V N -3.008 116.667 119.914 -0.399 0.000 3.645 51 V HA 0.230 4.350 4.120 -0.000 0.000 0.275 51 V C 1.413 177.092 176.094 -0.691 0.000 1.356 51 V CA 0.595 62.618 62.300 -0.461 0.000 1.051 51 V CB 0.227 31.814 31.823 -0.394 0.000 0.828 51 V HN 0.246 nan 8.190 nan 0.000 0.441 52 K N 0.587 120.658 120.400 -0.548 0.000 10.883 52 K HA -0.308 4.012 4.320 -0.000 0.000 0.526 52 K C 0.151 176.636 176.600 -0.191 0.000 0.382 52 K CA 2.561 58.575 56.287 -0.455 0.000 1.943 52 K CB -1.446 30.573 32.500 -0.802 0.000 0.766 52 K HN 0.943 nan 8.250 nan 0.000 1.214 53 Y N -1.910 118.232 120.300 -0.264 0.000 2.562 53 Y HA 0.739 5.289 4.550 -0.000 0.000 0.345 53 Y C -1.202 174.651 175.900 -0.078 0.000 1.045 53 Y CA -0.782 57.231 58.100 -0.146 0.000 1.028 53 Y CB 2.087 40.482 38.460 -0.108 0.000 1.297 53 Y HN 0.000 nan 8.280 nan 0.000 0.463 54 V N 2.343 122.316 119.914 0.098 0.000 2.817 54 V HA 0.350 4.470 4.120 -0.000 0.000 0.303 54 V C -1.570 174.585 176.094 0.102 0.000 1.151 54 V CA -0.654 61.706 62.300 0.101 0.000 0.929 54 V CB 1.907 33.809 31.823 0.131 0.000 1.030 54 V HN 0.926 nan 8.190 nan 0.000 0.427 55 D N 5.763 126.237 120.400 0.123 0.000 2.339 55 D HA 0.269 4.909 4.640 -0.000 0.000 0.256 55 D C 0.835 177.217 176.300 0.137 0.000 1.214 55 D CA 0.269 54.327 54.000 0.096 0.000 0.877 55 D CB 1.811 42.640 40.800 0.048 0.000 1.111 55 D HN 0.519 nan 8.370 nan 0.000 0.478 56 L N 1.538 122.895 121.223 0.223 0.000 2.554 56 L HA 0.208 4.548 4.340 -0.000 0.000 0.225 56 L C 1.538 178.797 176.870 0.649 0.000 1.104 56 L CA 0.058 55.128 54.840 0.384 0.000 0.866 56 L CB 0.371 42.672 42.059 0.404 0.000 1.047 56 L HN 0.326 nan 8.230 nan 0.000 0.468 57 G N -0.785 108.326 108.800 0.518 0.000 3.099 57 G HA2 0.425 4.385 3.960 -0.000 0.000 0.151 57 G HA3 0.425 4.385 3.960 -0.000 0.000 0.151 57 G C -0.138 174.793 174.900 0.050 0.000 1.265 57 G CA -0.083 45.149 45.100 0.220 0.000 0.981 57 G HN 0.086 nan 8.290 nan 0.000 0.601 58 G N -0.809 107.951 108.800 -0.067 0.000 2.321 58 G HA2 0.353 4.313 3.960 -0.000 0.000 0.237 58 G HA3 0.353 4.313 3.960 -0.000 0.000 0.237 58 G C 0.557 175.425 174.900 -0.054 0.000 1.282 58 G CA 0.898 45.959 45.100 -0.066 0.000 0.886 58 G HN 0.814 nan 8.290 nan 0.000 0.528 59 S N 1.278 116.878 115.700 -0.167 0.000 3.113 59 S HA 0.197 4.667 4.470 -0.000 0.000 0.265 59 S C 0.117 174.468 174.600 -0.415 0.000 1.079 59 S CA -0.327 57.676 58.200 -0.327 0.000 0.892 59 S CB 0.058 62.895 63.200 -0.606 0.000 0.880 59 S HN 0.500 nan 8.310 nan 0.000 0.444 60 Y N 2.754 123.008 120.300 -0.078 0.000 2.304 60 Y HA 0.538 5.088 4.550 -0.000 0.000 0.328 60 Y C 0.271 176.037 175.900 -0.223 0.000 1.123 60 Y CA -0.493 57.512 58.100 -0.159 0.000 1.218 60 Y CB 1.220 39.627 38.460 -0.089 0.000 1.207 60 Y HN 0.115 nan 8.280 nan 0.000 0.495 61 V N -0.176 119.617 119.914 -0.201 0.000 3.102 61 V HA 1.105 5.225 4.120 -0.000 0.000 0.312 61 V C -0.293 175.614 176.094 -0.312 0.000 1.135 61 V CA -0.520 61.588 62.300 -0.320 0.000 1.022 61 V CB 1.683 33.241 31.823 -0.443 0.000 1.056 61 V HN 0.937 nan 8.190 nan 0.000 0.436 62 G N 0.279 108.854 108.800 -0.377 0.000 2.548 62 G HA2 0.699 4.659 3.960 -0.000 0.000 0.301 62 G HA3 0.699 4.659 3.960 -0.000 0.000 0.301 62 G C -3.446 171.291 174.900 -0.272 0.000 1.349 62 G CA -1.052 43.875 45.100 -0.288 0.000 0.792 62 G HN 0.722 nan 8.290 nan 0.000 0.481 63 P HA 0.123 nan 4.420 nan 0.000 0.265 63 P C 0.777 178.055 177.300 -0.037 0.000 1.187 63 P CA 1.997 65.051 63.100 -0.077 0.000 0.766 63 P CB 0.901 32.585 31.700 -0.026 0.000 0.820 64 T N -1.388 113.172 114.554 0.011 0.000 6.424 64 T HA -0.242 4.108 4.350 -0.000 0.000 0.279 64 T C 0.228 174.943 174.700 0.026 0.000 2.176 64 T CA 0.929 63.112 62.100 0.138 0.000 3.628 64 T CB -2.675 66.408 68.868 0.358 0.000 1.165 64 T HN 0.583 nan 8.240 nan 0.000 1.080 65 Q N 1.359 120.990 119.800 -0.281 0.000 3.091 65 Q HA 0.382 4.722 4.340 -0.000 0.000 0.301 65 Q C 0.872 176.762 176.000 -0.185 0.000 1.337 65 Q CA -0.487 55.048 55.803 -0.448 0.000 1.083 65 Q CB 0.233 28.521 28.738 -0.750 0.000 1.477 65 Q HN 0.487 nan 8.270 nan 0.000 0.537 66 N N 0.869 119.532 118.700 -0.062 0.000 2.354 66 N HA -0.063 4.677 4.740 -0.000 0.000 0.179 66 N C 1.244 176.757 175.510 0.005 0.000 1.021 66 N CA 0.781 53.825 53.050 -0.010 0.000 0.887 66 N CB 0.273 38.779 38.487 0.032 0.000 0.974 66 N HN 0.383 nan 8.380 nan 0.000 0.437 67 R N 0.528 121.033 120.500 0.009 0.000 2.062 67 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 67 R C 2.047 178.359 176.300 0.020 0.000 1.128 67 R CA 0.734 56.849 56.100 0.024 0.000 0.960 67 R CB -0.377 29.949 30.300 0.043 0.000 0.855 67 R HN 0.087 nan 8.270 nan 0.000 0.432 68 I N 1.308 121.885 120.570 0.011 0.000 2.286 68 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 68 I C 1.835 178.018 176.117 0.110 0.000 1.115 68 I CA 1.397 62.730 61.300 0.054 0.000 1.392 68 I CB -0.095 37.946 38.000 0.068 0.000 1.065 68 I HN 0.100 nan 8.210 nan 0.000 0.418 69 L N 0.146 121.417 121.223 0.081 0.000 2.046 69 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 69 L C 2.747 179.662 176.870 0.075 0.000 1.077 69 L CA 1.343 56.249 54.840 0.109 0.000 0.747 69 L CB -0.845 41.231 42.059 0.029 0.000 0.896 69 L HN 0.260 nan 8.230 nan 0.000 0.432 70 R N 0.686 121.210 120.500 0.039 0.000 2.066 70 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 70 R C 2.301 178.606 176.300 0.009 0.000 1.131 70 R CA 1.566 57.680 56.100 0.024 0.000 0.955 70 R CB -0.593 29.719 30.300 0.020 0.000 0.851 70 R HN 0.242 nan 8.270 nan 0.000 0.432 71 L N 1.241 122.465 121.223 0.002 0.000 2.017 71 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 71 L C 2.424 179.256 176.870 -0.063 0.000 1.073 71 L CA 2.350 57.175 54.840 -0.025 0.000 0.745 71 L CB -0.915 41.128 42.059 -0.026 0.000 0.894 71 L HN 0.244 nan 8.230 nan 0.000 0.432 72 A N -0.681 122.086 122.820 -0.088 0.000 1.902 72 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 72 A C 2.465 179.989 177.584 -0.100 0.000 1.181 72 A CA 1.986 53.900 52.037 -0.205 0.000 0.623 72 A CB -0.648 18.113 19.000 -0.398 0.000 0.818 72 A HN 0.518 nan 8.150 nan 0.000 0.443 73 K N -0.280 120.113 120.400 -0.012 0.000 2.057 73 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 73 K C 2.083 178.674 176.600 -0.014 0.000 1.049 73 K CA 1.709 58.000 56.287 0.007 0.000 0.931 73 K CB -0.194 32.324 32.500 0.029 0.000 0.714 73 K HN 0.621 nan 8.250 nan 0.000 0.440 74 E N 0.485 120.674 120.200 -0.019 0.000 2.118 74 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 74 E C 1.668 178.248 176.600 -0.033 0.000 0.992 74 E CA 1.014 57.402 56.400 -0.020 0.000 0.804 74 E CB -0.001 29.690 29.700 -0.016 0.000 0.741 74 E HN 0.361 nan 8.360 nan 0.000 0.458 75 L N -0.670 120.519 121.223 -0.057 0.000 2.610 75 L HA 0.136 4.476 4.340 -0.000 0.000 0.232 75 L C 1.363 178.192 176.870 -0.070 0.000 1.149 75 L CA 0.479 55.276 54.840 -0.072 0.000 0.872 75 L CB 0.150 42.144 42.059 -0.108 0.000 0.992 75 L HN 0.400 nan 8.230 nan 0.000 0.447 76 G N 0.159 108.926 108.800 -0.054 0.000 2.131 76 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.223 76 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.223 76 G C 0.055 174.929 174.900 -0.042 0.000 0.990 76 G CA -0.369 44.707 45.100 -0.039 0.000 0.671 76 G HN 0.188 nan 8.290 nan 0.000 0.521 77 L N -0.203 120.982 121.223 -0.062 0.000 2.399 77 L HA 0.766 5.106 4.340 -0.000 0.000 0.265 77 L C 0.589 177.496 176.870 0.061 0.000 1.089 77 L CA -0.740 54.071 54.840 -0.049 0.000 0.802 77 L CB 1.169 43.103 42.059 -0.209 0.000 1.180 77 L HN 0.205 nan 8.230 nan 0.000 0.454 78 E N -0.264 120.016 120.200 0.133 0.000 2.369 78 E HA 0.467 4.817 4.350 -0.000 0.000 0.270 78 E C -1.026 175.727 176.600 0.256 0.000 0.909 78 E CA -0.736 55.764 56.400 0.166 0.000 0.775 78 E CB 2.466 32.232 29.700 0.110 0.000 1.270 78 E HN 0.663 nan 8.360 nan 0.000 0.445 79 T N -1.445 113.208 114.554 0.164 0.000 2.948 79 T HA 0.645 4.995 4.350 -0.000 0.000 0.285 79 T C -0.760 174.021 174.700 0.135 0.000 1.019 79 T CA -0.695 61.437 62.100 0.053 0.000 1.013 79 T CB 0.709 69.484 68.868 -0.155 0.000 1.117 79 T HN 0.537 nan 8.240 nan 0.000 0.533 80 Y N -1.537 118.759 120.300 -0.008 0.000 2.609 80 Y HA 0.742 5.292 4.550 0.000 0.000 0.342 80 Y C -0.813 175.088 175.900 0.001 0.000 1.058 80 Y CA -1.549 56.559 58.100 0.014 0.000 1.055 80 Y CB 1.388 39.877 38.460 0.049 0.000 1.292 80 Y HN 0.623 nan 8.280 nan 0.000 0.476 81 K N 2.092 122.541 120.400 0.082 0.000 2.234 81 K HA 0.452 4.772 4.320 -0.000 0.000 0.282 81 K C -0.861 175.755 176.600 0.027 0.000 1.039 81 K CA -0.820 55.455 56.287 -0.020 0.000 0.928 81 K CB 1.722 34.242 32.500 0.035 0.000 1.039 81 K HN 0.575 nan 8.250 nan 0.000 0.470 82 V N 3.241 123.114 119.914 -0.070 0.000 2.673 82 V HA -0.105 4.015 4.120 -0.000 0.000 0.303 82 V C 0.538 176.667 176.094 0.058 0.000 1.046 82 V CA -0.156 62.159 62.300 0.025 0.000 1.126 82 V CB 0.336 32.154 31.823 -0.009 0.000 0.934 82 V HN 0.728 nan 8.190 nan 0.000 0.487 83 N N 3.901 122.665 118.700 0.106 0.000 2.438 83 N HA 0.023 4.763 4.740 -0.000 0.000 0.267 83 N C 0.236 175.766 175.510 0.033 0.000 1.222 83 N CA 0.488 53.591 53.050 0.087 0.000 0.930 83 N CB 0.297 38.862 38.487 0.131 0.000 1.083 83 N HN 0.822 nan 8.380 nan 0.000 0.476 84 E N 2.989 123.199 120.200 0.015 0.000 3.191 84 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 84 E C 0.266 176.861 176.600 -0.007 0.000 0.972 84 E CA -0.061 56.329 56.400 -0.016 0.000 1.266 84 E CB 0.261 29.936 29.700 -0.041 0.000 1.076 84 E HN 0.448 nan 8.360 nan 0.000 0.462 85 V N 0.476 120.398 119.914 0.014 0.000 2.307 85 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 85 V C 0.960 177.060 176.094 0.009 0.000 1.045 85 V CA 1.597 63.904 62.300 0.012 0.000 1.024 85 V CB -0.114 31.719 31.823 0.017 0.000 0.651 85 V HN 0.254 nan 8.190 nan 0.000 0.449 86 E N -0.695 119.517 120.200 0.020 0.000 3.099 86 E HA 0.394 4.744 4.350 -0.000 0.000 0.259 86 E C 0.199 176.808 176.600 0.014 0.000 1.274 86 E CA -0.641 55.775 56.400 0.026 0.000 1.111 86 E CB 0.248 29.977 29.700 0.049 0.000 1.327 86 E HN 0.296 nan 8.360 nan 0.000 0.652 87 R N 0.216 120.746 120.500 0.051 0.000 2.539 87 R HA 0.284 4.624 4.340 -0.000 0.000 0.275 87 R C -0.482 175.768 176.300 -0.083 0.000 1.077 87 R CA -0.561 55.542 56.100 0.005 0.000 1.097 87 R CB 0.134 30.505 30.300 0.118 0.000 1.018 87 R HN 0.177 nan 8.270 nan 0.000 0.483 88 L N 2.552 123.543 121.223 -0.387 0.000 2.456 88 L HA 0.373 4.713 4.340 -0.000 0.000 0.257 88 L C 0.213 176.829 176.870 -0.424 0.000 1.162 88 L CA 0.203 54.707 54.840 -0.560 0.000 0.808 88 L CB 0.475 41.878 42.059 -1.094 0.000 1.136 88 L HN 0.460 nan 8.230 nan 0.000 0.466 89 I N 0.292 120.764 120.570 -0.163 0.000 2.498 89 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 89 I C -0.621 175.778 176.117 0.470 0.000 1.032 89 I CA -0.497 60.870 61.300 0.111 0.000 1.073 89 I CB 1.565 39.491 38.000 -0.125 0.000 1.251 89 I HN 0.549 nan 8.210 nan 0.000 0.426 90 H N 5.448 124.845 119.070 0.544 0.000 2.541 90 H HA 0.319 4.875 4.556 -0.000 0.000 0.316 90 H C -1.319 174.255 175.328 0.411 0.000 1.043 90 H CA -0.706 55.607 56.048 0.442 0.000 1.232 90 H CB 0.938 30.884 29.762 0.306 0.000 1.406 90 H HN 0.615 nan 8.280 nan 0.000 0.469 91 H N 4.528 123.713 119.070 0.193 0.000 2.556 91 H HA 0.401 4.957 4.556 -0.000 0.000 0.310 91 H C -1.439 173.879 175.328 -0.015 0.000 1.057 91 H CA -0.411 55.690 56.048 0.088 0.000 1.264 91 H CB 0.835 30.652 29.762 0.093 0.000 1.404 91 H HN 0.340 nan 8.280 nan 0.000 0.462 92 V N 5.847 125.623 119.914 -0.230 0.000 2.808 92 V HA 0.262 4.382 4.120 -0.000 0.000 0.308 92 V C -0.711 175.326 176.094 -0.094 0.000 1.099 92 V CA -0.896 61.311 62.300 -0.156 0.000 0.920 92 V CB 1.555 33.200 31.823 -0.297 0.000 1.014 92 V HN 1.012 nan 8.190 nan 0.000 0.425 93 K N 4.608 124.987 120.400 -0.036 0.000 3.077 93 K HA -0.210 4.110 4.320 -0.000 0.000 0.264 93 K C 0.895 177.464 176.600 -0.052 0.000 1.008 93 K CA 0.989 57.271 56.287 -0.009 0.000 0.740 93 K CB -1.660 30.851 32.500 0.018 0.000 1.273 93 K HN 2.011 nan 8.250 nan 0.000 0.477 94 G N -0.021 108.704 108.800 -0.125 0.000 2.148 94 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.254 94 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.254 94 G C -0.085 174.642 174.900 -0.289 0.000 0.981 94 G CA 0.982 46.029 45.100 -0.087 0.000 0.670 94 G HN 0.444 nan 8.290 nan 0.000 0.528 95 K N 0.055 120.095 120.400 -0.600 0.000 2.464 95 K HA 0.620 4.940 4.320 -0.000 0.000 0.253 95 K C -0.444 175.797 176.600 -0.598 0.000 0.933 95 K CA -0.519 55.484 56.287 -0.473 0.000 0.801 95 K CB 1.392 33.695 32.500 -0.328 0.000 1.271 95 K HN 0.046 nan 8.250 nan 0.000 0.430 96 S N 2.421 117.912 115.700 -0.348 0.000 2.499 96 S HA 0.377 4.847 4.470 -0.000 0.000 0.279 96 S C -1.381 173.018 174.600 -0.334 0.000 1.219 96 S CA -0.353 57.775 58.200 -0.121 0.000 1.062 96 S CB 0.260 63.494 63.200 0.057 0.000 0.978 96 S HN 0.403 nan 8.310 nan 0.000 0.489 97 Y N 2.790 123.171 120.300 0.134 0.000 2.555 97 Y HA 0.350 4.900 4.550 -0.000 0.000 0.326 97 Y C -2.472 173.627 175.900 0.333 0.000 0.984 97 Y CA -2.408 55.814 58.100 0.204 0.000 1.298 97 Y CB 0.803 39.377 38.460 0.190 0.000 1.094 97 Y HN 0.459 nan 8.280 nan 0.000 0.500 98 P HA 0.264 nan 4.420 nan 0.000 0.271 98 P C -0.815 176.775 177.300 0.483 0.000 1.218 98 P CA -0.025 63.295 63.100 0.367 0.000 0.780 98 P CB 0.673 32.585 31.700 0.354 0.000 0.901 99 F N -1.118 118.960 119.950 0.215 0.000 2.779 99 F HA 0.711 5.238 4.527 -0.000 0.000 0.316 99 F C -1.122 174.764 175.800 0.143 0.000 1.164 99 F CA -1.307 56.808 58.000 0.192 0.000 0.924 99 F CB 1.395 40.516 39.000 0.202 0.000 1.348 99 F HN 0.053 nan 8.300 nan 0.000 0.467 100 R N 0.696 121.349 120.500 0.255 0.000 2.854 100 R HA 0.770 5.109 4.340 -0.000 0.000 0.271 100 R C -0.415 176.039 176.300 0.257 0.000 0.994 100 R CA -0.781 55.384 56.100 0.107 0.000 0.945 100 R CB 1.790 32.150 30.300 0.099 0.000 1.194 100 R HN 1.498 nan 8.270 nan 0.000 0.476 101 G N 1.402 110.285 108.800 0.138 0.000 2.746 101 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.685 101 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.685 101 G C -2.054 172.948 174.900 0.170 0.000 1.350 101 G CA -0.769 44.424 45.100 0.155 0.000 0.837 101 G HN 0.462 nan 8.290 nan 0.000 0.564 102 P HA 0.146 nan 4.420 nan 0.000 0.229 102 P C 0.335 177.427 177.300 -0.346 0.000 1.160 102 P CA 0.969 63.914 63.100 -0.257 0.000 0.777 102 P CB 0.096 31.432 31.700 -0.608 0.000 0.814 103 F N 1.155 121.150 119.950 0.075 0.000 2.458 103 F HA 0.446 4.973 4.527 -0.000 0.000 0.336 103 F C -2.172 173.389 175.800 -0.399 0.000 1.114 103 F CA -3.147 54.765 58.000 -0.147 0.000 0.987 103 F CB 0.974 39.833 39.000 -0.235 0.000 1.130 103 F HN -0.321 nan 8.300 nan 0.000 0.458 104 P HA 0.108 nan 4.420 nan 0.000 0.271 104 P C -2.405 174.604 177.300 -0.484 0.000 1.226 104 P CA -0.930 61.433 63.100 -1.227 0.000 0.765 104 P CB -0.125 31.011 31.700 -0.939 0.000 0.835 105 P HA 0.077 nan 4.420 nan 0.000 0.272 105 P C -0.836 176.303 177.300 -0.269 0.000 1.223 105 P CA 0.166 63.112 63.100 -0.256 0.000 0.784 105 P CB 0.613 32.205 31.700 -0.180 0.000 0.923 106 V N 1.964 121.664 119.914 -0.357 0.000 2.588 106 V HA 0.234 4.354 4.120 -0.000 0.000 0.304 106 V C 0.148 176.050 176.094 -0.319 0.000 1.042 106 V CA -0.199 61.930 62.300 -0.285 0.000 0.877 106 V CB 1.798 33.389 31.823 -0.387 0.000 0.996 106 V HN 0.689 nan 8.190 nan 0.000 0.425 107 W N 0.787 122.058 121.300 -0.048 0.000 2.699 107 W HA 0.225 4.885 4.660 -0.000 0.000 0.265 107 W C 1.331 177.838 176.519 -0.021 0.000 1.210 107 W CA -0.149 57.175 57.345 -0.035 0.000 1.414 107 W CB 0.308 29.746 29.460 -0.036 0.000 1.043 107 W HN 0.501 nan 8.180 nan 0.000 0.599 108 N N 2.210 121.021 118.700 0.185 0.000 2.447 108 N HA -0.038 4.702 4.740 -0.000 0.000 0.263 108 N C -1.786 173.789 175.510 0.108 0.000 1.226 108 N CA -0.402 52.721 53.050 0.122 0.000 0.906 108 N CB 1.513 40.056 38.487 0.092 0.000 1.060 108 N HN -0.143 nan 8.380 nan 0.000 0.468 109 P HA -0.083 nan 4.420 nan 0.000 0.216 109 P C 1.527 178.895 177.300 0.113 0.000 1.153 109 P CA 0.708 63.858 63.100 0.083 0.000 0.848 109 P CB 0.346 32.075 31.700 0.049 0.000 0.787 110 I N -0.669 119.952 120.570 0.085 0.000 2.252 110 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 110 I C 1.951 178.125 176.117 0.095 0.000 1.102 110 I CA 1.815 63.159 61.300 0.072 0.000 1.385 110 I CB -2.024 36.012 38.000 0.060 0.000 1.064 110 I HN 0.013 nan 8.210 nan 0.000 0.414 111 T N 0.318 114.939 114.554 0.111 0.000 2.746 111 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 111 T C 1.887 176.669 174.700 0.137 0.000 1.039 111 T CA 1.368 63.552 62.100 0.140 0.000 1.142 111 T CB -0.627 68.303 68.868 0.103 0.000 0.866 111 T HN 0.302 nan 8.240 nan 0.000 0.444 112 Y N 1.864 122.148 120.300 -0.026 0.000 2.128 112 Y HA -0.145 4.405 4.550 -0.000 0.000 0.284 112 Y C 2.051 177.951 175.900 -0.000 0.000 1.154 112 Y CA 1.243 59.305 58.100 -0.064 0.000 1.149 112 Y CB -0.479 37.917 38.460 -0.106 0.000 0.976 112 Y HN 0.106 nan 8.280 nan 0.000 0.505 113 L N -0.198 121.069 121.223 0.073 0.000 2.042 113 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 113 L C 2.168 178.992 176.870 -0.076 0.000 1.076 113 L CA 1.782 56.609 54.840 -0.021 0.000 0.749 113 L CB -0.641 41.429 42.059 0.018 0.000 0.893 113 L HN 0.252 nan 8.230 nan 0.000 0.432 114 D N -0.906 119.489 120.400 -0.008 0.000 2.097 114 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 114 D C 2.189 178.464 176.300 -0.041 0.000 0.984 114 D CA 1.246 55.247 54.000 0.001 0.000 0.826 114 D CB 0.048 40.888 40.800 0.065 0.000 0.973 114 D HN 0.301 nan 8.370 nan 0.000 0.460 115 H N -0.222 118.759 119.070 -0.149 0.000 2.321 115 H HA -0.116 4.440 4.556 -0.000 0.000 0.300 115 H C 2.152 177.395 175.328 -0.142 0.000 1.087 115 H CA 1.210 57.169 56.048 -0.150 0.000 1.319 115 H CB -0.191 29.515 29.762 -0.093 0.000 1.379 115 H HN 0.287 nan 8.280 nan 0.000 0.501 116 N N 1.135 119.730 118.700 -0.175 0.000 2.069 116 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 116 N C 1.822 177.245 175.510 -0.145 0.000 1.031 116 N CA 0.936 53.837 53.050 -0.249 0.000 0.852 116 N CB -0.214 37.986 38.487 -0.477 0.000 1.018 116 N HN 0.411 nan 8.380 nan 0.000 0.423 117 N N -0.131 118.487 118.700 -0.138 0.000 2.166 117 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 117 N C 1.903 177.329 175.510 -0.139 0.000 1.019 117 N CA 0.758 53.735 53.050 -0.122 0.000 0.856 117 N CB -0.276 38.154 38.487 -0.095 0.000 0.993 117 N HN 0.235 nan 8.380 nan 0.000 0.426 118 F N 0.736 120.495 119.950 -0.317 0.000 2.069 118 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 118 F C 1.763 177.302 175.800 -0.436 0.000 1.113 118 F CA 1.694 59.421 58.000 -0.455 0.000 1.214 118 F CB -0.861 37.707 39.000 -0.719 0.000 0.978 118 F HN 0.081 nan 8.300 nan 0.000 0.474 119 W N 0.561 121.605 121.300 -0.425 0.000 2.358 119 W HA -0.093 4.567 4.660 -0.000 0.000 0.303 119 W C 2.817 179.072 176.519 -0.440 0.000 1.208 119 W CA 1.327 58.356 57.345 -0.527 0.000 1.274 119 W CB -0.647 28.605 29.460 -0.348 0.000 1.138 119 W HN -0.065 nan 8.180 nan 0.000 0.515 120 R N 0.218 120.641 120.500 -0.128 0.000 2.083 120 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 120 R C 1.944 178.126 176.300 -0.197 0.000 1.137 120 R CA 2.254 58.259 56.100 -0.157 0.000 0.951 120 R CB -0.700 29.505 30.300 -0.158 0.000 0.851 120 R HN 0.036 nan 8.270 nan 0.000 0.434 121 T N 1.321 115.725 114.554 -0.249 0.000 2.746 121 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 121 T C 1.851 176.369 174.700 -0.303 0.000 1.039 121 T CA 1.376 63.328 62.100 -0.245 0.000 1.142 121 T CB -0.055 68.678 68.868 -0.224 0.000 0.866 121 T HN 0.179 nan 8.240 nan 0.000 0.444 122 M N 1.606 120.942 119.600 -0.440 0.000 2.082 122 M HA -0.122 4.358 4.480 -0.000 0.000 0.258 122 M C 1.869 178.030 176.300 -0.231 0.000 1.069 122 M CA 1.579 56.651 55.300 -0.380 0.000 1.102 122 M CB -1.057 31.265 32.600 -0.463 0.000 1.336 122 M HN 0.189 nan 8.290 nan 0.000 0.404 123 D N 0.428 120.714 120.400 -0.189 0.000 2.149 123 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 123 D C 1.607 177.834 176.300 -0.121 0.000 0.972 123 D CA 1.008 54.924 54.000 -0.140 0.000 0.835 123 D CB -0.329 40.400 40.800 -0.119 0.000 0.966 123 D HN 0.287 nan 8.370 nan 0.000 0.476 124 D N 0.394 120.720 120.400 -0.124 0.000 2.104 124 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 124 D C 2.212 178.492 176.300 -0.033 0.000 0.994 124 D CA 0.836 54.788 54.000 -0.080 0.000 0.830 124 D CB -0.260 40.492 40.800 -0.081 0.000 0.959 124 D HN 0.243 nan 8.370 nan 0.000 0.452 125 M N 0.152 119.702 119.600 -0.083 0.000 2.117 125 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 125 M C 2.357 178.693 176.300 0.059 0.000 1.065 125 M CA 1.681 56.949 55.300 -0.053 0.000 1.114 125 M CB -0.507 31.794 32.600 -0.499 0.000 1.361 125 M HN 0.035 nan 8.290 nan 0.000 0.408 126 G N 0.258 109.029 108.800 -0.049 0.000 2.450 126 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 126 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 126 G C 1.617 176.509 174.900 -0.014 0.000 1.130 126 G CA 0.636 45.713 45.100 -0.038 0.000 0.760 126 G HN 0.416 nan 8.290 nan 0.000 0.557 127 R N 0.105 120.594 120.500 -0.019 0.000 2.237 127 R HA 0.000 4.340 4.340 -0.000 0.000 0.219 127 R C 1.606 177.906 176.300 -0.001 0.000 1.080 127 R CA 0.822 56.904 56.100 -0.029 0.000 0.995 127 R CB 0.057 30.333 30.300 -0.039 0.000 0.875 127 R HN 0.272 nan 8.270 nan 0.000 0.462 128 E N 0.257 120.496 120.200 0.065 0.000 2.479 128 E HA 0.098 4.448 4.350 -0.000 0.000 0.193 128 E C 0.050 176.672 176.600 0.037 0.000 1.049 128 E CA 0.312 56.743 56.400 0.052 0.000 0.870 128 E CB 0.433 30.190 29.700 0.094 0.000 0.944 128 E HN 0.317 nan 8.360 nan 0.000 0.492 129 I N 2.794 123.403 120.570 0.064 0.000 2.359 129 I HA 0.204 4.374 4.170 -0.000 0.000 0.284 129 I C -2.416 173.698 176.117 -0.006 0.000 1.018 129 I CA -2.340 58.996 61.300 0.059 0.000 1.173 129 I CB 1.417 39.521 38.000 0.173 0.000 1.326 129 I HN -0.343 nan 8.210 nan 0.000 0.462 130 P HA 0.103 nan 4.420 nan 0.000 0.267 130 P C 0.542 177.799 177.300 -0.071 0.000 1.209 130 P CA 0.214 63.235 63.100 -0.132 0.000 0.763 130 P CB 0.897 32.461 31.700 -0.226 0.000 0.816 131 S N 2.160 117.835 115.700 -0.041 0.000 2.383 131 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 131 S C 1.271 175.956 174.600 0.142 0.000 1.030 131 S CA 1.828 60.085 58.200 0.095 0.000 1.002 131 S CB -0.585 62.571 63.200 -0.073 0.000 0.829 131 S HN 0.679 nan 8.310 nan 0.000 0.467 132 D N 0.379 120.715 120.400 -0.107 0.000 2.339 132 D HA 0.273 4.913 4.640 -0.000 0.000 0.217 132 D C 0.263 176.320 176.300 -0.404 0.000 1.050 132 D CA 0.340 54.229 54.000 -0.184 0.000 0.856 132 D CB 0.077 40.707 40.800 -0.285 0.000 0.922 132 D HN 0.269 nan 8.370 nan 0.000 0.518 133 A N 1.083 123.496 122.820 -0.678 0.000 3.330 133 A HA 0.338 4.658 4.320 -0.000 0.000 0.256 133 A C -2.156 174.625 177.584 -1.338 0.000 1.185 133 A CA -0.746 50.387 52.037 -1.506 0.000 0.940 133 A CB 0.766 19.178 19.000 -0.980 0.000 1.397 133 A HN -0.101 nan 8.150 nan 0.000 0.678 134 P HA -0.185 nan 4.420 nan 0.000 0.219 134 P C 1.233 178.332 177.300 -0.336 0.000 1.146 134 P CA 1.573 64.362 63.100 -0.519 0.000 0.808 134 P CB -0.348 31.019 31.700 -0.556 0.000 0.779 135 W N 0.752 121.974 121.300 -0.130 0.000 2.721 135 W HA 0.120 4.780 4.660 -0.000 0.000 0.245 135 W C 1.268 177.740 176.519 -0.079 0.000 1.276 135 W CA 0.342 57.633 57.345 -0.091 0.000 1.342 135 W CB -1.373 28.029 29.460 -0.097 0.000 1.135 135 W HN -0.104 nan 8.180 nan 0.000 0.654 136 K N 0.816 121.020 120.400 -0.326 0.000 2.374 136 K HA 0.322 4.642 4.320 -0.000 0.000 0.196 136 K C 0.984 177.487 176.600 -0.161 0.000 1.023 136 K CA 0.147 56.321 56.287 -0.188 0.000 1.103 136 K CB 0.033 32.380 32.500 -0.255 0.000 0.848 136 K HN 0.094 nan 8.250 nan 0.000 0.528 137 A N 2.401 125.125 122.820 -0.160 0.000 2.531 137 A HA 0.069 4.389 4.320 -0.000 0.000 0.236 137 A C -1.620 175.833 177.584 -0.219 0.000 1.062 137 A CA -0.940 50.997 52.037 -0.166 0.000 0.760 137 A CB 0.074 18.998 19.000 -0.127 0.000 0.995 137 A HN -0.010 nan 8.150 nan 0.000 0.501 138 P HA -0.127 nan 4.420 nan 0.000 0.216 138 P C 0.504 177.609 177.300 -0.325 0.000 1.150 138 P CA 1.237 64.194 63.100 -0.238 0.000 0.843 138 P CB 0.045 31.617 31.700 -0.214 0.000 0.787 139 L N -2.174 118.697 121.223 -0.586 0.000 2.984 139 L HA 0.355 4.695 4.340 -0.000 0.000 0.246 139 L C 1.843 178.339 176.870 -0.623 0.000 1.268 139 L CA -0.309 54.096 54.840 -0.725 0.000 1.054 139 L CB -0.500 40.836 42.059 -1.205 0.000 1.393 139 L HN -0.102 nan 8.230 nan 0.000 0.532 140 A N 0.564 123.189 122.820 -0.324 0.000 1.892 140 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 140 A C 2.194 179.782 177.584 0.005 0.000 1.188 140 A CA 1.796 53.777 52.037 -0.094 0.000 0.631 140 A CB -0.164 18.828 19.000 -0.012 0.000 0.822 140 A HN 0.516 nan 8.150 nan 0.000 0.447 141 E N -0.968 119.218 120.200 -0.023 0.000 2.047 141 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 141 E C 2.136 178.772 176.600 0.061 0.000 0.987 141 E CA 1.151 57.569 56.400 0.030 0.000 0.799 141 E CB -0.232 29.473 29.700 0.007 0.000 0.752 141 E HN 0.835 nan 8.360 nan 0.000 0.449 142 E N 0.193 120.399 120.200 0.009 0.000 2.058 142 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 142 E C 1.732 178.496 176.600 0.273 0.000 0.997 142 E CA 1.293 57.744 56.400 0.085 0.000 0.801 142 E CB -0.012 29.693 29.700 0.009 0.000 0.746 142 E HN 0.278 nan 8.360 nan 0.000 0.450 143 W N 0.915 122.258 121.300 0.071 0.000 2.436 143 W HA -0.013 4.647 4.660 -0.000 0.000 0.284 143 W C 1.942 178.534 176.519 0.123 0.000 1.225 143 W CA 0.669 58.069 57.345 0.093 0.000 1.271 143 W CB -0.987 28.528 29.460 0.091 0.000 1.114 143 W HN 0.225 nan 8.180 nan 0.000 0.559 144 D N -0.228 120.375 120.400 0.338 0.000 2.269 144 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 144 D C 1.331 177.764 176.300 0.221 0.000 0.963 144 D CA 0.962 55.126 54.000 0.273 0.000 0.864 144 D CB -0.207 40.727 40.800 0.222 0.000 0.936 144 D HN -0.101 nan 8.370 nan 0.000 0.505 145 N N -0.197 118.617 118.700 0.190 0.000 2.398 145 N HA 0.075 4.815 4.740 -0.000 0.000 0.188 145 N C 0.203 175.797 175.510 0.140 0.000 1.122 145 N CA 0.132 53.270 53.050 0.146 0.000 0.866 145 N CB 0.044 38.598 38.487 0.113 0.000 0.970 145 N HN 0.461 nan 8.380 nan 0.000 0.462 146 M N -0.984 118.716 119.600 0.167 0.000 2.602 146 M HA 0.468 4.948 4.480 -0.000 0.000 0.312 146 M C -0.098 176.288 176.300 0.143 0.000 1.181 146 M CA -0.767 54.614 55.300 0.136 0.000 0.910 146 M CB 1.937 34.613 32.600 0.127 0.000 1.723 146 M HN -0.107 nan 8.290 nan 0.000 0.459 147 T N -0.448 114.173 114.554 0.111 0.000 2.849 147 T HA 0.265 4.615 4.350 -0.000 0.000 0.284 147 T C 1.094 175.840 174.700 0.077 0.000 1.004 147 T CA -0.829 61.335 62.100 0.107 0.000 1.021 147 T CB 0.838 69.760 68.868 0.089 0.000 1.013 147 T HN 0.786 nan 8.240 nan 0.000 0.527 148 M N 0.236 119.868 119.600 0.054 0.000 2.213 148 M HA -0.012 4.468 4.480 -0.000 0.000 0.263 148 M C 2.151 178.432 176.300 -0.032 0.000 1.062 148 M CA 1.559 56.855 55.300 -0.007 0.000 1.105 148 M CB -1.389 31.133 32.600 -0.130 0.000 1.385 148 M HN 0.874 nan 8.290 nan 0.000 0.417 149 K N 0.747 121.135 120.400 -0.020 0.000 2.032 149 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 149 K C 1.699 178.287 176.600 -0.020 0.000 1.048 149 K CA 1.733 58.009 56.287 -0.017 0.000 0.927 149 K CB -0.032 32.490 32.500 0.036 0.000 0.712 149 K HN 0.385 nan 8.250 nan 0.000 0.441 150 E N 0.130 120.332 120.200 0.004 0.000 2.077 150 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 150 E C 1.987 178.581 176.600 -0.010 0.000 0.989 150 E CA 1.173 57.573 56.400 -0.001 0.000 0.800 150 E CB -0.167 29.549 29.700 0.025 0.000 0.746 150 E HN 0.210 nan 8.360 nan 0.000 0.452 151 L N 1.104 122.325 121.223 -0.002 0.000 2.017 151 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 151 L C 2.056 178.918 176.870 -0.014 0.000 1.073 151 L CA 1.521 56.354 54.840 -0.012 0.000 0.745 151 L CB -0.323 41.722 42.059 -0.023 0.000 0.894 151 L HN 0.122 nan 8.230 nan 0.000 0.432 152 L N -0.815 120.390 121.223 -0.030 0.000 2.046 152 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 152 L C 2.224 179.026 176.870 -0.114 0.000 1.077 152 L CA 1.367 56.155 54.840 -0.086 0.000 0.747 152 L CB -0.987 40.977 42.059 -0.158 0.000 0.896 152 L HN 0.279 nan 8.230 nan 0.000 0.432 153 D N 0.153 120.493 120.400 -0.101 0.000 2.149 153 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 153 D C 2.151 178.363 176.300 -0.147 0.000 0.990 153 D CA 1.223 55.148 54.000 -0.125 0.000 0.839 153 D CB 0.031 40.771 40.800 -0.099 0.000 0.948 153 D HN 0.221 nan 8.370 nan 0.000 0.460 154 K N -0.119 120.225 120.400 -0.092 0.000 2.062 154 K HA 0.054 4.374 4.320 -0.000 0.000 0.205 154 K C 2.114 178.696 176.600 -0.029 0.000 1.051 154 K CA 0.502 56.747 56.287 -0.070 0.000 0.941 154 K CB 0.092 32.584 32.500 -0.013 0.000 0.719 154 K HN 0.062 nan 8.250 nan 0.000 0.440 155 L N 0.040 121.269 121.223 0.010 0.000 2.249 155 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 155 L C 0.356 177.318 176.870 0.153 0.000 1.090 155 L CA -0.132 54.772 54.840 0.107 0.000 0.802 155 L CB 0.436 42.561 42.059 0.110 0.000 0.947 155 L HN 0.149 nan 8.230 nan 0.000 0.453 156 C N -0.242 119.053 119.300 -0.008 0.000 2.281 156 C HA 0.102 4.562 4.460 -0.000 0.000 0.336 156 C C 0.825 175.802 174.990 -0.022 0.000 1.217 156 C CA -0.933 58.058 59.018 -0.045 0.000 1.730 156 C CB -0.836 26.762 27.740 -0.236 0.000 2.338 156 C HN 0.477 nan 8.230 nan 0.000 0.521 157 W N 1.896 123.141 121.300 -0.092 0.000 3.139 157 W HA 0.120 4.780 4.660 -0.000 0.000 0.260 157 W C 1.446 177.934 176.519 -0.051 0.000 1.312 157 W CA 0.140 57.450 57.345 -0.058 0.000 1.606 157 W CB -0.115 29.323 29.460 -0.037 0.000 1.118 157 W HN 0.664 nan 8.180 nan 0.000 0.675 158 T N -3.475 111.139 114.554 0.101 0.000 2.887 158 T HA 0.292 4.642 4.350 -0.000 0.000 0.288 158 T C 0.834 175.518 174.700 -0.027 0.000 1.021 158 T CA -0.636 61.495 62.100 0.051 0.000 1.000 158 T CB 2.571 71.491 68.868 0.088 0.000 1.034 158 T HN -0.213 nan 8.240 nan 0.000 0.467 159 E N 1.174 121.365 120.200 -0.014 0.000 2.150 159 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 159 E C 2.125 178.709 176.600 -0.027 0.000 0.985 159 E CA 1.156 57.535 56.400 -0.035 0.000 0.814 159 E CB -0.403 29.289 29.700 -0.014 0.000 0.752 159 E HN 0.740 nan 8.360 nan 0.000 0.466 160 S N 0.645 116.365 115.700 0.033 0.000 2.353 160 S HA -0.202 4.268 4.470 -0.000 0.000 0.222 160 S C 2.088 176.694 174.600 0.010 0.000 1.035 160 S CA 1.658 59.928 58.200 0.117 0.000 1.025 160 S CB -0.108 63.240 63.200 0.247 0.000 0.902 160 S HN 0.309 nan 8.310 nan 0.000 0.440 161 A N 1.164 123.850 122.820 -0.224 0.000 1.902 161 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 161 A C 2.178 179.394 177.584 -0.614 0.000 1.181 161 A CA 1.844 53.418 52.037 -0.772 0.000 0.623 161 A CB -0.725 17.842 19.000 -0.722 0.000 0.818 161 A HN 0.652 nan 8.150 nan 0.000 0.443 162 K N -0.513 119.652 120.400 -0.391 0.000 2.057 162 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 162 K C 2.238 178.685 176.600 -0.255 0.000 1.049 162 K CA 1.690 57.766 56.287 -0.352 0.000 0.931 162 K CB -0.183 32.184 32.500 -0.222 0.000 0.714 162 K HN 0.639 nan 8.250 nan 0.000 0.440 163 Q N 0.265 119.980 119.800 -0.142 0.000 2.084 163 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 163 Q C 2.101 178.098 176.000 -0.006 0.000 0.978 163 Q CA 1.317 57.097 55.803 -0.039 0.000 0.844 163 Q CB -0.082 28.675 28.738 0.033 0.000 0.898 163 Q HN 0.215 nan 8.270 nan 0.000 0.426 164 L N 0.424 121.630 121.223 -0.029 0.000 2.109 164 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 164 L C 2.115 178.994 176.870 0.016 0.000 1.086 164 L CA 1.812 56.695 54.840 0.071 0.000 0.760 164 L CB -0.721 41.429 42.059 0.151 0.000 0.910 164 L HN 0.130 nan 8.230 nan 0.000 0.437 165 A N -1.598 121.010 122.820 -0.353 0.000 1.933 165 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 165 A C 2.258 179.791 177.584 -0.085 0.000 1.175 165 A CA 2.280 54.028 52.037 -0.481 0.000 0.628 165 A CB -1.148 17.070 19.000 -1.302 0.000 0.814 165 A HN 0.494 nan 8.150 nan 0.000 0.444 166 T N 0.065 114.552 114.554 -0.112 0.000 2.708 166 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 166 T C 1.868 176.594 174.700 0.043 0.000 1.037 166 T CA 1.364 63.436 62.100 -0.048 0.000 1.146 166 T CB -0.395 68.444 68.868 -0.048 0.000 0.865 166 T HN 0.397 nan 8.240 nan 0.000 0.435 167 L N 0.130 121.421 121.223 0.112 0.000 2.012 167 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 167 L C 2.235 179.228 176.870 0.205 0.000 1.073 167 L CA 1.568 56.508 54.840 0.167 0.000 0.748 167 L CB -0.395 41.797 42.059 0.222 0.000 0.891 167 L HN 0.220 nan 8.230 nan 0.000 0.431 168 F N -0.322 119.719 119.950 0.151 0.000 2.091 168 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 168 F C 2.126 178.053 175.800 0.211 0.000 1.103 168 F CA 2.208 60.357 58.000 0.249 0.000 1.228 168 F CB -0.555 38.743 39.000 0.497 0.000 0.984 168 F HN -0.129 nan 8.300 nan 0.000 0.477 169 V N 0.987 120.951 119.914 0.084 0.000 2.295 169 V HA -0.364 3.756 4.120 -0.000 0.000 0.246 169 V C 2.007 178.010 176.094 -0.151 0.000 1.049 169 V CA 2.481 64.627 62.300 -0.256 0.000 1.024 169 V CB -1.098 30.416 31.823 -0.514 0.000 0.648 169 V HN 0.420 nan 8.190 nan 0.000 0.447 170 N N 0.124 118.771 118.700 -0.089 0.000 2.094 170 N HA -0.225 4.515 4.740 -0.000 0.000 0.191 170 N C 1.765 177.237 175.510 -0.063 0.000 1.023 170 N CA 1.396 54.403 53.050 -0.072 0.000 0.857 170 N CB -0.240 38.242 38.487 -0.007 0.000 1.013 170 N HN 0.344 nan 8.380 nan 0.000 0.426 171 L N 0.823 122.024 121.223 -0.037 0.000 2.072 171 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 171 L C 2.014 178.880 176.870 -0.008 0.000 1.079 171 L CA 1.482 56.295 54.840 -0.046 0.000 0.752 171 L CB -0.569 41.425 42.059 -0.108 0.000 0.906 171 L HN 0.226 nan 8.230 nan 0.000 0.436 172 C N -1.374 117.891 119.300 -0.059 0.000 2.440 172 C HA -0.009 4.451 4.460 -0.000 0.000 0.278 172 C C 2.213 177.320 174.990 0.195 0.000 1.295 172 C CA 0.928 59.973 59.018 0.045 0.000 1.738 172 C CB -0.594 27.101 27.740 -0.076 0.000 1.987 172 C HN 0.580 nan 8.230 nan 0.000 0.492 173 V N -2.181 117.777 119.914 0.074 0.000 3.276 173 V HA 0.299 4.419 4.120 -0.000 0.000 0.319 173 V C 0.750 176.753 176.094 -0.153 0.000 1.476 173 V CA 0.768 63.073 62.300 0.010 0.000 1.097 173 V CB -1.331 30.598 31.823 0.176 0.000 0.988 173 V HN 0.504 nan 8.190 nan 0.000 0.473 174 T N -1.364 113.019 114.554 -0.285 0.000 3.852 174 T HA -0.080 4.270 4.350 -0.000 0.000 0.361 174 T C 0.133 174.684 174.700 -0.249 0.000 0.759 174 T CA 1.363 63.256 62.100 -0.345 0.000 1.899 174 T CB -2.581 65.933 68.868 -0.591 0.000 1.822 174 T HN 2.464 nan 8.240 nan 0.000 0.778 175 A N -0.303 122.361 122.820 -0.260 0.000 2.587 175 A HA 0.728 5.048 4.320 -0.000 0.000 0.293 175 A C -0.406 176.975 177.584 -0.339 0.000 1.087 175 A CA -1.061 50.741 52.037 -0.391 0.000 0.692 175 A CB 1.240 19.780 19.000 -0.766 0.000 1.291 175 A HN 0.344 nan 8.150 nan 0.000 0.407 176 E N 0.516 120.467 120.200 -0.414 0.000 2.373 176 E HA 0.238 4.588 4.350 -0.000 0.000 0.263 176 E C 1.248 177.560 176.600 -0.480 0.000 1.073 176 E CA 0.534 56.664 56.400 -0.449 0.000 0.894 176 E CB 0.874 30.124 29.700 -0.749 0.000 1.008 176 E HN 0.804 nan 8.360 nan 0.000 0.420 177 T N -1.305 113.045 114.554 -0.340 0.000 2.833 177 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 177 T C 1.442 176.036 174.700 -0.177 0.000 1.054 177 T CA 1.661 63.617 62.100 -0.241 0.000 1.135 177 T CB -0.385 68.393 68.868 -0.151 0.000 0.869 177 T HN 0.624 nan 8.240 nan 0.000 0.466 178 H N 0.571 119.591 119.070 -0.084 0.000 2.555 178 H HA 0.260 4.816 4.556 -0.000 0.000 0.269 178 H C 1.463 176.768 175.328 -0.038 0.000 0.988 178 H CA 0.770 56.787 56.048 -0.052 0.000 1.178 178 H CB -0.183 29.547 29.762 -0.053 0.000 1.373 178 H HN 0.505 nan 8.280 nan 0.000 0.588 179 E N 1.327 121.330 120.200 -0.329 0.000 2.250 179 E HA 0.045 4.395 4.350 -0.000 0.000 0.192 179 E C 0.801 177.371 176.600 -0.050 0.000 0.986 179 E CA 0.431 56.719 56.400 -0.187 0.000 0.849 179 E CB 0.815 30.250 29.700 -0.441 0.000 0.797 179 E HN 0.359 nan 8.360 nan 0.000 0.482 180 V N -0.963 118.917 119.914 -0.057 0.000 2.667 180 V HA 0.426 4.546 4.120 -0.000 0.000 0.308 180 V C -0.006 176.240 176.094 0.253 0.000 1.048 180 V CA -1.148 61.235 62.300 0.139 0.000 0.928 180 V CB 1.837 33.791 31.823 0.219 0.000 1.004 180 V HN -0.022 nan 8.190 nan 0.000 0.444 181 S N 3.264 119.190 115.700 0.377 0.000 2.562 181 S HA 0.468 4.938 4.470 -0.000 0.000 0.281 181 S C 1.401 176.266 174.600 0.442 0.000 1.333 181 S CA 0.191 58.623 58.200 0.387 0.000 1.052 181 S CB 1.011 64.471 63.200 0.433 0.000 0.884 181 S HN 1.757 nan 8.310 nan 0.000 0.506 182 A N 4.696 127.705 122.820 0.315 0.000 1.873 182 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 182 A C 2.028 179.798 177.584 0.309 0.000 1.186 182 A CA 1.527 53.721 52.037 0.262 0.000 0.616 182 A CB -0.969 18.107 19.000 0.125 0.000 0.823 182 A HN 0.971 nan 8.150 nan 0.000 0.442 183 L N -1.334 120.113 121.223 0.375 0.000 2.013 183 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 183 L C 2.233 179.347 176.870 0.406 0.000 1.073 183 L CA 2.635 57.727 54.840 0.418 0.000 0.753 183 L CB -0.837 41.470 42.059 0.412 0.000 0.890 183 L HN 0.663 nan 8.230 nan 0.000 0.432 184 W N -0.645 120.833 121.300 0.296 0.000 2.358 184 W HA -0.279 4.381 4.660 -0.000 0.000 0.303 184 W C 2.344 179.150 176.519 0.478 0.000 1.208 184 W CA 1.893 59.438 57.345 0.333 0.000 1.274 184 W CB -0.656 28.984 29.460 0.300 0.000 1.138 184 W HN 0.288 nan 8.180 nan 0.000 0.515 185 F N 0.739 120.779 119.950 0.152 0.000 2.146 185 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 185 F C 2.094 177.835 175.800 -0.099 0.000 1.096 185 F CA 2.095 59.992 58.000 -0.172 0.000 1.275 185 F CB -0.658 38.389 39.000 0.078 0.000 1.008 185 F HN -0.176 nan 8.300 nan 0.000 0.480 186 L N -1.298 119.950 121.223 0.041 0.000 2.083 186 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 186 L C 2.294 179.092 176.870 -0.120 0.000 1.083 186 L CA 1.636 56.434 54.840 -0.071 0.000 0.752 186 L CB -1.018 41.019 42.059 -0.037 0.000 0.899 186 L HN 0.440 nan 8.230 nan 0.000 0.433 187 W N 0.083 121.261 121.300 -0.203 0.000 2.355 187 W HA -0.313 4.347 4.660 -0.000 0.000 0.309 187 W C 2.625 178.932 176.519 -0.353 0.000 1.206 187 W CA 1.576 58.781 57.345 -0.232 0.000 1.284 187 W CB -0.635 28.721 29.460 -0.174 0.000 1.145 187 W HN 0.110 nan 8.180 nan 0.000 0.502 188 Y N 0.563 120.395 120.300 -0.780 0.000 2.128 188 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 188 Y C 2.374 177.719 175.900 -0.926 0.000 1.154 188 Y CA 2.981 60.421 58.100 -1.100 0.000 1.149 188 Y CB -0.793 36.989 38.460 -1.130 0.000 0.976 188 Y HN -0.140 nan 8.280 nan 0.000 0.505 189 V N 0.926 120.421 119.914 -0.698 0.000 2.307 189 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 189 V C 2.517 178.286 176.094 -0.543 0.000 1.045 189 V CA 2.174 64.148 62.300 -0.544 0.000 1.024 189 V CB -0.701 30.907 31.823 -0.359 0.000 0.651 189 V HN 0.305 nan 8.190 nan 0.000 0.449 190 K N 1.285 121.383 120.400 -0.503 0.000 2.063 190 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 190 K C 2.140 178.398 176.600 -0.569 0.000 1.048 190 K CA 2.413 58.438 56.287 -0.436 0.000 0.928 190 K CB -0.260 32.053 32.500 -0.312 0.000 0.713 190 K HN 0.726 nan 8.250 nan 0.000 0.442 191 Q N -0.858 118.454 119.800 -0.814 0.000 2.472 191 Q HA 0.007 4.347 4.340 -0.000 0.000 0.208 191 Q C 1.439 176.913 176.000 -0.877 0.000 0.958 191 Q CA 1.002 56.315 55.803 -0.817 0.000 0.932 191 Q CB -0.482 27.595 28.738 -1.101 0.000 1.007 191 Q HN 0.155 nan 8.270 nan 0.000 0.508 192 C N 0.263 118.905 119.300 -1.097 0.000 2.693 192 C HA 0.626 5.086 4.460 -0.000 0.000 0.286 192 C C 1.518 175.768 174.990 -1.234 0.000 1.277 192 C CA 0.099 58.085 59.018 -1.720 0.000 1.705 192 C CB -0.875 25.881 27.740 -1.640 0.000 1.879 192 C HN 0.831 nan 8.230 nan 0.000 0.607 193 G N 0.216 108.601 108.800 -0.691 0.000 2.157 193 G HA2 0.271 4.231 3.960 -0.000 0.000 0.239 193 G HA3 0.271 4.231 3.960 -0.000 0.000 0.239 193 G C 0.479 175.208 174.900 -0.286 0.000 0.982 193 G CA 0.050 44.914 45.100 -0.392 0.000 0.650 193 G HN 1.661 nan 8.290 nan 0.000 0.527 194 G N -2.150 106.461 108.800 -0.315 0.000 2.592 194 G HA2 0.333 4.293 3.960 -0.000 0.000 0.684 194 G HA3 0.333 4.293 3.960 -0.000 0.000 0.684 194 G C 1.015 175.856 174.900 -0.100 0.000 1.291 194 G CA 0.982 45.967 45.100 -0.191 0.000 0.891 194 G HN 1.837 nan 8.290 nan 0.000 0.544 195 T N -2.915 111.629 114.554 -0.017 0.000 2.708 195 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 195 T C 2.354 177.074 174.700 0.034 0.000 1.037 195 T CA 2.981 65.129 62.100 0.079 0.000 1.146 195 T CB -0.861 68.034 68.868 0.045 0.000 0.865 195 T HN 0.981 nan 8.240 nan 0.000 0.435 196 T N 1.316 115.885 114.554 0.026 0.000 2.708 196 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 196 T C 2.136 176.809 174.700 -0.044 0.000 1.037 196 T CA 1.508 63.613 62.100 0.008 0.000 1.146 196 T CB -0.316 68.603 68.868 0.085 0.000 0.865 196 T HN 0.298 nan 8.240 nan 0.000 0.435 197 R N 0.919 121.403 120.500 -0.027 0.000 2.075 197 R HA 0.152 4.492 4.340 -0.000 0.000 0.232 197 R C 2.213 178.550 176.300 0.062 0.000 1.126 197 R CA 1.138 57.243 56.100 0.009 0.000 0.963 197 R CB -0.835 29.453 30.300 -0.021 0.000 0.858 197 R HN 0.448 nan 8.270 nan 0.000 0.435 198 I N -0.540 120.030 120.570 -0.000 0.000 2.439 198 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 198 I C 1.291 177.465 176.117 0.096 0.000 1.139 198 I CA 0.979 62.314 61.300 0.060 0.000 1.438 198 I CB 0.139 38.119 38.000 -0.033 0.000 1.085 198 I HN 0.221 nan 8.210 nan 0.000 0.427 199 I N -0.310 120.295 120.570 0.058 0.000 3.783 199 I HA 0.084 4.254 4.170 -0.000 0.000 0.310 199 I C 0.933 176.996 176.117 -0.091 0.000 1.274 199 I CA 0.415 61.719 61.300 0.006 0.000 1.294 199 I CB 0.031 38.058 38.000 0.046 0.000 1.051 199 I HN -0.045 nan 8.210 nan 0.000 0.435 200 S N -0.304 115.336 115.700 -0.099 0.000 2.586 200 S HA 0.246 4.716 4.470 -0.000 0.000 0.274 200 S C 1.200 175.755 174.600 -0.074 0.000 1.281 200 S CA -0.280 57.848 58.200 -0.119 0.000 1.035 200 S CB 1.469 64.596 63.200 -0.121 0.000 0.962 200 S HN 0.253 nan 8.310 nan 0.000 0.512 201 T N 2.167 116.675 114.554 -0.077 0.000 2.896 201 T HA 0.025 4.375 4.350 -0.000 0.000 0.238 201 T C 0.598 175.252 174.700 -0.077 0.000 1.045 201 T CA 0.657 62.704 62.100 -0.088 0.000 1.248 201 T CB -0.361 68.456 68.868 -0.086 0.000 0.955 201 T HN 0.607 nan 8.240 nan 0.000 0.416 202 T N 3.543 118.059 114.554 -0.064 0.000 2.831 202 T HA 0.106 4.456 4.350 -0.000 0.000 0.291 202 T C 0.709 175.382 174.700 -0.045 0.000 0.981 202 T CA 0.388 62.459 62.100 -0.049 0.000 1.174 202 T CB -0.158 68.689 68.868 -0.035 0.000 0.929 202 T HN 0.519 nan 8.240 nan 0.000 0.532 203 N N 0.789 119.466 118.700 -0.039 0.000 2.782 203 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 203 N C 0.152 175.651 175.510 -0.019 0.000 1.101 203 N CA 1.435 54.470 53.050 -0.026 0.000 0.764 203 N CB -1.057 37.421 38.487 -0.015 0.000 1.122 203 N HN 0.948 nan 8.380 nan 0.000 0.561 204 G N -3.121 105.659 108.800 -0.034 0.000 3.086 204 G HA2 0.569 4.529 3.960 -0.000 0.000 0.282 204 G HA3 0.569 4.529 3.960 -0.000 0.000 0.282 204 G C 0.980 175.855 174.900 -0.041 0.000 1.343 204 G CA -0.032 45.067 45.100 -0.002 0.000 0.895 204 G HN 0.292 nan 8.290 nan 0.000 0.557 205 G N -0.920 107.891 108.800 0.018 0.000 2.479 205 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.220 205 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.220 205 G C 1.151 175.989 174.900 -0.102 0.000 1.115 205 G CA 0.972 46.002 45.100 -0.117 0.000 0.757 205 G HN 0.404 nan 8.290 nan 0.000 0.560 206 Q N -0.421 119.313 119.800 -0.111 0.000 2.201 206 Q HA 0.274 4.614 4.340 -0.000 0.000 0.217 206 Q C 1.619 177.516 176.000 -0.172 0.000 0.860 206 Q CA -0.113 55.552 55.803 -0.231 0.000 0.984 206 Q CB 0.727 29.230 28.738 -0.391 0.000 1.095 206 Q HN 0.633 nan 8.270 nan 0.000 0.477 207 E N 0.474 120.598 120.200 -0.127 0.000 2.106 207 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 207 E C -0.040 176.483 176.600 -0.129 0.000 0.984 207 E CA 0.748 57.078 56.400 -0.115 0.000 0.806 207 E CB 0.441 30.075 29.700 -0.110 0.000 0.750 207 E HN 0.151 nan 8.360 nan 0.000 0.458 208 R N -0.785 119.620 120.500 -0.158 0.000 2.836 208 R HA 0.444 4.784 4.340 -0.000 0.000 0.269 208 R C -0.994 175.097 176.300 -0.349 0.000 1.010 208 R CA -0.756 55.172 56.100 -0.287 0.000 0.930 208 R CB 2.045 32.157 30.300 -0.313 0.000 1.218 208 R HN -0.160 nan 8.270 nan 0.000 0.473 209 K N 0.885 120.917 120.400 -0.614 0.000 2.400 209 K HA 0.422 4.742 4.320 -0.000 0.000 0.246 209 K C -1.013 175.286 176.600 -0.502 0.000 0.995 209 K CA -0.768 55.178 56.287 -0.568 0.000 0.840 209 K CB 1.630 33.861 32.500 -0.448 0.000 1.293 209 K HN 0.247 nan 8.250 nan 0.000 0.445 210 F N 1.108 121.008 119.950 -0.084 0.000 2.410 210 F HA 0.120 4.647 4.527 -0.000 0.000 0.348 210 F C 0.610 176.466 175.800 0.094 0.000 1.106 210 F CA -0.942 57.051 58.000 -0.012 0.000 1.163 210 F CB 1.002 39.969 39.000 -0.056 0.000 1.129 210 F HN 0.021 nan 8.300 nan 0.000 0.516 211 V N 3.835 123.951 119.914 0.336 0.000 2.493 211 V HA 0.199 4.319 4.120 -0.000 0.000 0.292 211 V C 0.956 176.941 176.094 -0.183 0.000 1.016 211 V CA 1.253 63.665 62.300 0.187 0.000 1.097 211 V CB 0.116 32.033 31.823 0.157 0.000 0.947 211 V HN 1.111 nan 8.190 nan 0.000 0.479 212 G N 3.321 111.596 108.800 -0.875 0.000 2.199 212 G HA2 0.133 4.093 3.960 -0.000 0.000 0.254 212 G HA3 0.133 4.093 3.960 -0.000 0.000 0.254 212 G C 0.788 175.171 174.900 -0.861 0.000 0.982 212 G CA -0.059 44.267 45.100 -1.291 0.000 0.632 212 G HN 2.436 nan 8.290 nan 0.000 0.529 213 G N -1.509 107.059 108.800 -0.387 0.000 2.697 213 G HA2 0.373 4.333 3.960 -0.000 0.000 0.686 213 G HA3 0.373 4.333 3.960 -0.000 0.000 0.686 213 G C 0.799 175.707 174.900 0.013 0.000 1.179 213 G CA 0.839 45.911 45.100 -0.046 0.000 0.765 213 G HN 1.873 nan 8.290 nan 0.000 0.649 214 S N 0.049 115.812 115.700 0.106 0.000 2.453 214 S HA 0.132 4.602 4.470 -0.000 0.000 0.231 214 S C 2.540 177.127 174.600 -0.022 0.000 1.005 214 S CA 1.614 59.873 58.200 0.097 0.000 0.949 214 S CB -0.035 63.284 63.200 0.198 0.000 0.774 214 S HN 2.176 nan 8.310 nan 0.000 0.510 215 G N 1.447 110.247 108.800 0.001 0.000 2.462 215 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 215 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 215 G C 1.445 176.317 174.900 -0.047 0.000 1.121 215 G CA 0.693 45.797 45.100 0.007 0.000 0.758 215 G HN 0.636 nan 8.290 nan 0.000 0.559 216 Q N -0.237 119.500 119.800 -0.104 0.000 2.226 216 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 216 Q C 2.736 178.641 176.000 -0.158 0.000 0.975 216 Q CA 0.946 56.668 55.803 -0.135 0.000 0.866 216 Q CB -0.161 28.471 28.738 -0.176 0.000 0.915 216 Q HN 0.442 nan 8.270 nan 0.000 0.440 217 V N 0.229 120.022 119.914 -0.201 0.000 2.237 217 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 217 V C 2.125 178.156 176.094 -0.106 0.000 1.046 217 V CA 2.156 64.339 62.300 -0.195 0.000 1.007 217 V CB -0.605 31.085 31.823 -0.221 0.000 0.638 217 V HN 0.294 nan 8.190 nan 0.000 0.445 218 S N -0.727 114.935 115.700 -0.063 0.000 2.383 218 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 218 S C 1.911 176.490 174.600 -0.035 0.000 1.026 218 S CA 1.409 59.590 58.200 -0.032 0.000 0.981 218 S CB -0.257 62.946 63.200 0.005 0.000 0.818 218 S HN 0.683 nan 8.310 nan 0.000 0.472 219 E N 1.076 121.254 120.200 -0.036 0.000 2.051 219 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 219 E C 2.350 178.920 176.600 -0.050 0.000 0.991 219 E CA 0.887 57.267 56.400 -0.034 0.000 0.799 219 E CB -0.084 29.596 29.700 -0.033 0.000 0.748 219 E HN 0.353 nan 8.360 nan 0.000 0.449 220 R N 0.231 120.690 120.500 -0.068 0.000 2.115 220 R HA -0.036 4.304 4.340 -0.000 0.000 0.230 220 R C 2.326 178.585 176.300 -0.067 0.000 1.111 220 R CA 0.838 56.895 56.100 -0.070 0.000 0.976 220 R CB -0.164 30.084 30.300 -0.086 0.000 0.870 220 R HN 0.218 nan 8.270 nan 0.000 0.445 221 I N 0.556 121.084 120.570 -0.069 0.000 2.315 221 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 221 I C 2.636 178.706 176.117 -0.079 0.000 1.117 221 I CA 1.051 62.309 61.300 -0.071 0.000 1.404 221 I CB -0.169 37.794 38.000 -0.062 0.000 1.071 221 I HN 0.195 nan 8.210 nan 0.000 0.419 222 M N 0.914 120.476 119.600 -0.063 0.000 2.108 222 M HA -0.255 4.225 4.480 -0.000 0.000 0.261 222 M C 1.651 177.912 176.300 -0.064 0.000 1.066 222 M CA 1.978 57.242 55.300 -0.060 0.000 1.107 222 M CB -0.204 32.373 32.600 -0.040 0.000 1.356 222 M HN 0.142 nan 8.290 nan 0.000 0.406 223 D N 0.695 121.061 120.400 -0.057 0.000 2.123 223 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 223 D C 2.050 178.312 176.300 -0.063 0.000 0.992 223 D CA 1.470 55.439 54.000 -0.051 0.000 0.833 223 D CB -0.518 40.256 40.800 -0.044 0.000 0.954 223 D HN 0.431 nan 8.370 nan 0.000 0.455 224 L N 0.093 121.268 121.223 -0.080 0.000 2.046 224 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 224 L C 2.443 179.204 176.870 -0.182 0.000 1.077 224 L CA 0.767 55.545 54.840 -0.103 0.000 0.747 224 L CB -0.302 41.697 42.059 -0.101 0.000 0.896 224 L HN 0.031 nan 8.230 nan 0.000 0.432 225 L N -1.093 120.004 121.223 -0.210 0.000 2.418 225 L HA 0.101 4.441 4.340 -0.000 0.000 0.218 225 L C 1.668 178.451 176.870 -0.144 0.000 1.125 225 L CA 0.428 55.104 54.840 -0.274 0.000 0.835 225 L CB -0.778 41.147 42.059 -0.224 0.000 0.953 225 L HN 0.466 nan 8.230 nan 0.000 0.454 226 G N 1.938 110.683 108.800 -0.090 0.000 2.591 226 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.298 226 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.298 226 G C 0.420 175.300 174.900 -0.034 0.000 1.195 226 G CA 0.540 45.612 45.100 -0.047 0.000 0.989 226 G HN 0.524 nan 8.290 nan 0.000 0.551 227 D N 0.841 121.232 120.400 -0.015 0.000 2.352 227 D HA 0.095 4.735 4.640 -0.000 0.000 0.232 227 D C 2.009 178.312 176.300 0.004 0.000 1.055 227 D CA 0.670 54.670 54.000 -0.001 0.000 0.891 227 D CB -0.256 40.552 40.800 0.013 0.000 0.897 227 D HN 0.627 nan 8.370 nan 0.000 0.529 228 R N -0.106 120.386 120.500 -0.013 0.000 2.189 228 R HA 0.087 4.427 4.340 -0.000 0.000 0.218 228 R C 0.213 176.492 176.300 -0.035 0.000 1.074 228 R CA 0.334 56.426 56.100 -0.013 0.000 0.991 228 R CB 0.216 30.499 30.300 -0.028 0.000 0.883 228 R HN 0.108 nan 8.270 nan 0.000 0.457 229 V N 3.004 122.891 119.914 -0.043 0.000 2.406 229 V HA 0.113 4.233 4.120 -0.000 0.000 0.272 229 V C -0.097 175.972 176.094 -0.042 0.000 1.043 229 V CA -0.360 61.908 62.300 -0.052 0.000 0.915 229 V CB 1.322 33.115 31.823 -0.050 0.000 0.988 229 V HN 0.045 nan 8.190 nan 0.000 0.466 230 K N 6.533 126.895 120.400 -0.063 0.000 2.389 230 K HA 0.538 4.858 4.320 -0.000 0.000 0.261 230 K C -0.702 175.864 176.600 -0.056 0.000 1.014 230 K CA -0.327 55.933 56.287 -0.045 0.000 0.920 230 K CB 1.859 34.325 32.500 -0.058 0.000 1.149 230 K HN 0.500 nan 8.250 nan 0.000 0.444 231 L N 1.638 122.840 121.223 -0.036 0.000 2.399 231 L HA 0.178 4.518 4.340 -0.000 0.000 0.266 231 L C 0.710 177.553 176.870 -0.045 0.000 1.114 231 L CA -0.212 54.602 54.840 -0.043 0.000 0.804 231 L CB 0.228 42.271 42.059 -0.027 0.000 1.146 231 L HN 0.692 nan 8.230 nan 0.000 0.451 232 E N 0.549 120.709 120.200 -0.067 0.000 2.389 232 E HA -0.230 4.120 4.350 -0.000 0.000 0.243 232 E C -0.496 176.065 176.600 -0.065 0.000 1.154 232 E CA 0.277 56.636 56.400 -0.070 0.000 0.723 232 E CB -0.883 28.794 29.700 -0.039 0.000 1.261 232 E HN 0.382 nan 8.360 nan 0.000 0.390 233 R N 0.212 120.659 120.500 -0.088 0.000 2.724 233 R HA 0.250 4.590 4.340 -0.000 0.000 0.284 233 R C -2.708 173.525 176.300 -0.111 0.000 1.481 233 R CA -1.974 54.086 56.100 -0.067 0.000 1.652 233 R CB 0.620 30.884 30.300 -0.061 0.000 1.175 233 R HN -0.011 nan 8.270 nan 0.000 0.613 234 P HA 0.021 nan 4.420 nan 0.000 0.271 234 P C -0.326 176.952 177.300 -0.036 0.000 1.226 234 P CA -0.183 62.823 63.100 -0.155 0.000 0.765 234 P CB 0.948 32.569 31.700 -0.133 0.000 0.835 235 V N 5.587 125.485 119.914 -0.026 0.000 2.555 235 V HA 0.063 4.183 4.120 -0.000 0.000 0.286 235 V C 1.700 177.827 176.094 0.055 0.000 1.044 235 V CA 0.426 62.735 62.300 0.015 0.000 1.026 235 V CB 0.325 32.142 31.823 -0.010 0.000 0.981 235 V HN 0.541 nan 8.190 nan 0.000 0.480 236 I N 1.834 122.455 120.570 0.085 0.000 4.323 236 I HA 0.446 4.616 4.170 -0.000 0.000 0.328 236 I C 0.002 176.227 176.117 0.179 0.000 1.310 236 I CA 0.123 61.503 61.300 0.133 0.000 1.186 236 I CB 0.635 38.703 38.000 0.115 0.000 1.130 236 I HN 0.498 nan 8.210 nan 0.000 0.411 237 Y N 1.860 122.124 120.300 -0.060 0.000 2.436 237 Y HA 0.685 5.235 4.550 -0.000 0.000 0.327 237 Y C -1.882 173.948 175.900 -0.117 0.000 1.138 237 Y CA -1.577 56.465 58.100 -0.097 0.000 1.042 237 Y CB 1.644 40.077 38.460 -0.045 0.000 1.302 237 Y HN -0.015 nan 8.280 nan 0.000 0.439 238 I N 5.803 125.967 120.570 -0.678 0.000 2.447 238 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 238 I C -1.373 174.358 176.117 -0.644 0.000 1.023 238 I CA -0.691 60.294 61.300 -0.525 0.000 1.083 238 I CB 1.848 39.688 38.000 -0.267 0.000 1.245 238 I HN 0.522 nan 8.210 nan 0.000 0.434 239 D N 6.075 126.165 120.400 -0.517 0.000 2.425 239 D HA 0.278 4.918 4.640 -0.000 0.000 0.240 239 D C -0.300 175.929 176.300 -0.119 0.000 1.080 239 D CA -0.219 53.576 54.000 -0.342 0.000 0.836 239 D CB 1.621 42.250 40.800 -0.285 0.000 1.125 239 D HN 0.507 nan 8.370 nan 0.000 0.525 240 Q N 1.776 121.546 119.800 -0.050 0.000 2.175 240 Q HA 0.080 4.420 4.340 -0.000 0.000 0.225 240 Q C 1.174 177.171 176.000 -0.005 0.000 0.837 240 Q CA -0.009 55.783 55.803 -0.018 0.000 1.032 240 Q CB 0.802 29.544 28.738 0.006 0.000 1.137 240 Q HN 0.563 nan 8.270 nan 0.000 0.483 241 T N -2.537 112.018 114.554 0.003 0.000 3.055 241 T HA 0.108 4.458 4.350 -0.000 0.000 0.265 241 T C 0.931 175.636 174.700 0.008 0.000 1.111 241 T CA 0.294 62.403 62.100 0.015 0.000 1.118 241 T CB 0.308 69.196 68.868 0.033 0.000 0.909 241 T HN 0.056 nan 8.240 nan 0.000 0.501 242 R N 0.028 120.528 120.500 -0.001 0.000 2.943 242 R HA 0.488 4.828 4.340 -0.000 0.000 0.246 242 R C 1.380 177.668 176.300 -0.019 0.000 1.201 242 R CA -0.756 55.342 56.100 -0.005 0.000 1.056 242 R CB 0.867 31.168 30.300 0.001 0.000 1.243 242 R HN 0.082 nan 8.270 nan 0.000 0.498 243 E N 0.606 120.794 120.200 -0.021 0.000 2.070 243 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 243 E C -0.296 176.270 176.600 -0.055 0.000 1.004 243 E CA 1.255 57.635 56.400 -0.034 0.000 0.805 243 E CB 0.164 29.848 29.700 -0.027 0.000 0.744 243 E HN 0.279 nan 8.360 nan 0.000 0.451 244 N N 0.140 118.812 118.700 -0.046 0.000 2.456 244 N HA 0.170 4.910 4.740 -0.000 0.000 0.296 244 N C -0.953 174.529 175.510 -0.046 0.000 1.102 244 N CA -0.363 52.652 53.050 -0.058 0.000 0.924 244 N CB 2.062 40.526 38.487 -0.038 0.000 1.186 244 N HN -0.153 nan 8.380 nan 0.000 0.492 245 V N 2.234 122.114 119.914 -0.056 0.000 2.572 245 V HA 0.163 4.283 4.120 -0.000 0.000 0.291 245 V C 0.506 176.591 176.094 -0.015 0.000 1.039 245 V CA -0.244 62.033 62.300 -0.038 0.000 1.055 245 V CB 0.188 31.991 31.823 -0.033 0.000 0.969 245 V HN 0.368 nan 8.190 nan 0.000 0.482 246 L N 5.604 126.811 121.223 -0.026 0.000 2.296 246 L HA 0.585 4.925 4.340 -0.000 0.000 0.286 246 L C -0.628 176.231 176.870 -0.018 0.000 1.023 246 L CA -0.555 54.285 54.840 0.001 0.000 0.812 246 L CB 1.789 43.858 42.059 0.017 0.000 1.223 246 L HN 0.373 nan 8.230 nan 0.000 0.421 247 V N 2.822 122.773 119.914 0.061 0.000 2.444 247 V HA 0.352 4.472 4.120 -0.000 0.000 0.294 247 V C -0.239 175.960 176.094 0.174 0.000 1.022 247 V CA -0.628 61.714 62.300 0.071 0.000 0.850 247 V CB 1.773 33.636 31.823 0.067 0.000 0.992 247 V HN 0.731 nan 8.190 nan 0.000 0.426 248 E N 2.961 123.264 120.200 0.172 0.000 2.191 248 E HA 0.652 5.002 4.350 -0.000 0.000 0.274 248 E C -0.270 176.437 176.600 0.178 0.000 0.948 248 E CA -0.465 56.064 56.400 0.214 0.000 0.802 248 E CB 1.840 31.696 29.700 0.261 0.000 1.137 248 E HN 0.836 nan 8.360 nan 0.000 0.397 249 T N 0.997 115.662 114.554 0.184 0.000 2.948 249 T HA 0.203 4.553 4.350 -0.000 0.000 0.285 249 T C 0.939 175.701 174.700 0.104 0.000 1.019 249 T CA -0.844 61.332 62.100 0.126 0.000 1.013 249 T CB 1.131 70.079 68.868 0.133 0.000 1.117 249 T HN 0.438 nan 8.240 nan 0.000 0.533 250 L N 1.559 122.812 121.223 0.050 0.000 2.083 250 L HA 0.029 4.368 4.340 -0.000 0.000 0.209 250 L C 1.819 178.619 176.870 -0.117 0.000 1.083 250 L CA 1.999 56.842 54.840 0.006 0.000 0.752 250 L CB -1.148 40.915 42.059 0.008 0.000 0.899 250 L HN 0.931 nan 8.230 nan 0.000 0.433 251 N N -2.138 116.509 118.700 -0.089 0.000 2.413 251 N HA -0.074 4.666 4.740 -0.000 0.000 0.207 251 N C -0.301 175.160 175.510 -0.082 0.000 1.206 251 N CA 0.162 53.118 53.050 -0.157 0.000 0.832 251 N CB -0.721 37.730 38.487 -0.061 0.000 1.037 251 N HN 0.519 nan 8.380 nan 0.000 0.467 252 H N -1.595 117.489 119.070 0.024 0.000 2.770 252 H HA -0.153 4.403 4.556 -0.000 0.000 0.309 252 H C -0.890 174.441 175.328 0.006 0.000 1.206 252 H CA 0.241 56.294 56.048 0.010 0.000 1.147 252 H CB -1.522 28.235 29.762 -0.007 0.000 1.422 252 H HN 0.618 nan 8.280 nan 0.000 0.420 253 E N 0.764 121.047 120.200 0.139 0.000 2.207 253 E HA 0.500 4.850 4.350 -0.000 0.000 0.270 253 E C -0.071 176.544 176.600 0.025 0.000 0.927 253 E CA -0.997 55.427 56.400 0.041 0.000 0.799 253 E CB 1.376 31.124 29.700 0.080 0.000 1.172 253 E HN 0.073 nan 8.360 nan 0.000 0.404 254 M N 2.414 121.918 119.600 -0.160 0.000 2.311 254 M HA 0.378 4.858 4.480 -0.000 0.000 0.325 254 M C -1.366 174.736 176.300 -0.330 0.000 1.061 254 M CA -0.651 54.589 55.300 -0.100 0.000 0.957 254 M CB 0.813 33.379 32.600 -0.056 0.000 1.646 254 M HN 0.507 nan 8.290 nan 0.000 0.434 255 Y N 0.423 120.737 120.300 0.023 0.000 2.393 255 Y HA 0.486 5.036 4.550 -0.000 0.000 0.341 255 Y C 0.080 175.984 175.900 0.006 0.000 0.988 255 Y CA -0.669 57.438 58.100 0.013 0.000 1.078 255 Y CB 1.776 40.243 38.460 0.011 0.000 1.203 255 Y HN 0.573 nan 8.280 nan 0.000 0.453 256 E N 1.932 122.205 120.200 0.122 0.000 2.199 256 E HA 0.826 5.176 4.350 -0.000 0.000 0.265 256 E C -1.510 175.128 176.600 0.063 0.000 0.882 256 E CA -0.676 55.762 56.400 0.063 0.000 0.759 256 E CB 1.203 30.915 29.700 0.021 0.000 1.148 256 E HN 0.766 nan 8.360 nan 0.000 0.412 257 A N 3.711 126.552 122.820 0.036 0.000 2.566 257 A HA 0.376 4.696 4.320 -0.000 0.000 0.292 257 A C 0.013 177.571 177.584 -0.043 0.000 1.112 257 A CA -0.644 51.407 52.037 0.025 0.000 0.707 257 A CB 1.555 20.588 19.000 0.055 0.000 1.302 257 A HN 0.692 nan 8.150 nan 0.000 0.409 258 K N -0.726 119.632 120.400 -0.070 0.000 2.116 258 K HA 0.085 4.405 4.320 -0.000 0.000 0.203 258 K C -0.655 175.612 176.600 -0.555 0.000 1.052 258 K CA 1.499 57.612 56.287 -0.291 0.000 0.952 258 K CB -0.073 32.292 32.500 -0.225 0.000 0.729 258 K HN 0.622 nan 8.250 nan 0.000 0.446 259 Y N -1.320 119.002 120.300 0.037 0.000 2.615 259 Y HA 0.399 4.949 4.550 -0.000 0.000 0.341 259 Y C -0.622 175.305 175.900 0.045 0.000 1.089 259 Y CA -1.302 56.836 58.100 0.064 0.000 1.049 259 Y CB 1.805 40.300 38.460 0.059 0.000 1.296 259 Y HN -0.427 nan 8.280 nan 0.000 0.470 260 V N 2.922 122.977 119.914 0.235 0.000 2.735 260 V HA 0.482 4.602 4.120 -0.000 0.000 0.310 260 V C -0.681 175.463 176.094 0.083 0.000 1.061 260 V CA -0.873 61.492 62.300 0.108 0.000 0.913 260 V CB 2.151 34.003 31.823 0.048 0.000 1.005 260 V HN 0.540 nan 8.190 nan 0.000 0.428 261 I N 2.728 123.317 120.570 0.031 0.000 2.339 261 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 261 I C 0.263 176.367 176.117 -0.022 0.000 0.994 261 I CA -0.162 61.135 61.300 -0.005 0.000 1.191 261 I CB 1.894 39.899 38.000 0.009 0.000 1.343 261 I HN 0.599 nan 8.210 nan 0.000 0.458 262 S N 5.307 120.960 115.700 -0.078 0.000 2.411 262 S HA 0.516 4.986 4.470 -0.000 0.000 0.294 262 S C 0.459 175.140 174.600 0.135 0.000 1.115 262 S CA -0.444 57.784 58.200 0.046 0.000 1.071 262 S CB 0.560 63.822 63.200 0.104 0.000 0.967 262 S HN 0.720 nan 8.310 nan 0.000 0.488 263 A N 5.795 128.684 122.820 0.116 0.000 2.793 263 A HA 0.439 4.759 4.320 -0.000 0.000 0.301 263 A C 0.369 178.034 177.584 0.134 0.000 1.172 263 A CA -0.660 51.452 52.037 0.124 0.000 0.973 263 A CB -0.494 18.554 19.000 0.081 0.000 1.164 263 A HN 0.898 nan 8.150 nan 0.000 0.542 264 I N -3.783 116.883 120.570 0.162 0.000 2.750 264 I HA 0.659 4.829 4.170 -0.000 0.000 0.308 264 I C -2.864 173.352 176.117 0.165 0.000 1.016 264 I CA -3.038 58.355 61.300 0.156 0.000 1.098 264 I CB 1.254 39.348 38.000 0.156 0.000 1.279 264 I HN -0.161 nan 8.210 nan 0.000 0.454 265 P HA 0.107 nan 4.420 nan 0.000 0.264 265 P C -2.161 175.197 177.300 0.097 0.000 1.183 265 P CA -0.574 62.598 63.100 0.120 0.000 0.763 265 P CB -0.029 31.728 31.700 0.096 0.000 0.807 266 P HA -0.240 nan 4.420 nan 0.000 0.215 266 P C 1.622 178.910 177.300 -0.019 0.000 1.163 266 P CA 1.930 65.040 63.100 0.016 0.000 0.894 266 P CB -0.288 31.392 31.700 -0.034 0.000 0.791 267 T N -1.370 113.146 114.554 -0.062 0.000 2.881 267 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 267 T C 1.512 176.206 174.700 -0.010 0.000 1.068 267 T CA 0.738 62.790 62.100 -0.080 0.000 1.131 267 T CB -0.819 67.967 68.868 -0.138 0.000 0.871 267 T HN -0.038 nan 8.240 nan 0.000 0.479 268 L N 0.386 121.633 121.223 0.040 0.000 2.551 268 L HA 0.128 4.468 4.340 -0.000 0.000 0.228 268 L C 2.777 179.725 176.870 0.130 0.000 1.153 268 L CA 0.676 55.567 54.840 0.086 0.000 0.851 268 L CB -0.723 41.411 42.059 0.126 0.000 0.959 268 L HN 0.352 nan 8.230 nan 0.000 0.451 269 G N -0.090 108.798 108.800 0.147 0.000 2.479 269 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 269 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 269 G C 1.600 176.648 174.900 0.247 0.000 1.115 269 G CA 0.246 45.495 45.100 0.248 0.000 0.757 269 G HN 0.158 nan 8.290 nan 0.000 0.560 270 M N 0.387 120.057 119.600 0.117 0.000 2.358 270 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 270 M C 2.077 178.397 176.300 0.032 0.000 1.064 270 M CA 1.025 56.362 55.300 0.061 0.000 1.093 270 M CB -0.510 32.087 32.600 -0.005 0.000 1.401 270 M HN 0.237 nan 8.290 nan 0.000 0.440 271 K N 0.075 120.517 120.400 0.070 0.000 2.525 271 K HA 0.158 4.478 4.320 -0.000 0.000 0.192 271 K C 0.392 177.045 176.600 0.089 0.000 1.029 271 K CA 0.420 56.756 56.287 0.082 0.000 1.029 271 K CB 0.171 32.754 32.500 0.139 0.000 0.814 271 K HN 0.328 nan 8.250 nan 0.000 0.503 272 I N 1.306 121.891 120.570 0.024 0.000 2.404 272 I HA 0.129 4.299 4.170 -0.000 0.000 0.293 272 I C 0.113 176.075 176.117 -0.257 0.000 0.992 272 I CA -0.747 60.473 61.300 -0.133 0.000 1.149 272 I CB 1.316 39.086 38.000 -0.385 0.000 1.315 272 I HN 0.044 nan 8.210 nan 0.000 0.446 273 H N 6.116 125.085 119.070 -0.168 0.000 2.527 273 H HA 0.336 4.892 4.556 -0.000 0.000 0.321 273 H C -1.095 174.145 175.328 -0.146 0.000 1.087 273 H CA -0.180 55.869 56.048 0.002 0.000 1.337 273 H CB 1.136 30.987 29.762 0.149 0.000 1.440 273 H HN 0.325 nan 8.280 nan 0.000 0.490 274 F N 1.962 122.023 119.950 0.185 0.000 2.443 274 F HA 0.165 4.692 4.527 -0.000 0.000 0.335 274 F C 0.590 176.440 175.800 0.084 0.000 1.104 274 F CA -0.720 57.321 58.000 0.067 0.000 1.013 274 F CB 1.356 40.379 39.000 0.039 0.000 1.136 274 F HN 0.474 nan 8.300 nan 0.000 0.470 275 N N 4.465 123.255 118.700 0.151 0.000 2.461 275 N HA 0.417 5.157 4.740 -0.000 0.000 0.284 275 N C -3.033 172.524 175.510 0.078 0.000 1.049 275 N CA -2.351 50.779 53.050 0.134 0.000 0.889 275 N CB 2.130 40.722 38.487 0.175 0.000 1.365 275 N HN 0.068 nan 8.380 nan 0.000 0.499 276 P HA 0.296 nan 4.420 nan 0.000 0.273 276 P C -2.630 174.746 177.300 0.127 0.000 1.250 276 P CA -0.940 62.218 63.100 0.097 0.000 0.793 276 P CB -0.369 31.367 31.700 0.060 0.000 1.011 277 P HA 0.081 nan 4.420 nan 0.000 0.269 277 P C 0.108 177.424 177.300 0.026 0.000 1.217 277 P CA 0.228 63.391 63.100 0.104 0.000 0.783 277 P CB 0.182 31.925 31.700 0.071 0.000 0.898 278 L N 3.132 124.321 121.223 -0.056 0.000 2.483 278 L HA 0.129 4.469 4.340 -0.000 0.000 0.275 278 L C -1.652 175.165 176.870 -0.089 0.000 1.220 278 L CA -1.532 53.206 54.840 -0.170 0.000 0.833 278 L CB -0.673 41.195 42.059 -0.318 0.000 1.102 278 L HN 0.304 nan 8.230 nan 0.000 0.490 279 P HA -0.050 nan 4.420 nan 0.000 0.268 279 P C 0.660 177.929 177.300 -0.052 0.000 1.208 279 P CA -0.226 62.842 63.100 -0.055 0.000 0.777 279 P CB 0.457 32.124 31.700 -0.054 0.000 0.875 280 M N 1.726 121.308 119.600 -0.030 0.000 2.089 280 M HA -0.241 4.239 4.480 -0.000 0.000 0.257 280 M C 1.226 177.532 176.300 0.011 0.000 1.071 280 M CA 2.343 57.636 55.300 -0.011 0.000 1.096 280 M CB -0.370 32.225 32.600 -0.007 0.000 1.330 280 M HN 0.179 nan 8.290 nan 0.000 0.403 281 M N -0.428 119.175 119.600 0.005 0.000 2.132 281 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 281 M C 2.298 178.639 176.300 0.069 0.000 1.065 281 M CA 1.775 57.117 55.300 0.070 0.000 1.122 281 M CB -1.476 31.110 32.600 -0.024 0.000 1.365 281 M HN 0.432 nan 8.290 nan 0.000 0.411 282 R N 0.361 120.831 120.500 -0.051 0.000 2.092 282 R HA -0.164 4.176 4.340 -0.000 0.000 0.231 282 R C 2.022 178.238 176.300 -0.141 0.000 1.119 282 R CA 1.690 57.711 56.100 -0.131 0.000 0.970 282 R CB -0.214 29.958 30.300 -0.213 0.000 0.864 282 R HN 0.332 nan 8.270 nan 0.000 0.440 283 N N 0.491 119.124 118.700 -0.111 0.000 2.061 283 N HA -0.232 4.508 4.740 -0.000 0.000 0.193 283 N C 1.593 177.040 175.510 -0.105 0.000 1.030 283 N CA 1.970 54.961 53.050 -0.098 0.000 0.856 283 N CB 0.003 38.456 38.487 -0.057 0.000 1.023 283 N HN 0.352 nan 8.380 nan 0.000 0.424 284 Q N -1.075 118.671 119.800 -0.091 0.000 2.163 284 Q HA -0.054 4.286 4.340 -0.000 0.000 0.198 284 Q C 1.999 177.750 176.000 -0.414 0.000 0.954 284 Q CA 0.657 56.352 55.803 -0.181 0.000 0.851 284 Q CB -0.137 28.564 28.738 -0.062 0.000 0.928 284 Q HN 0.491 nan 8.270 nan 0.000 0.459 285 M N 1.707 121.061 119.600 -0.411 0.000 2.082 285 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 285 M C 2.009 178.079 176.300 -0.383 0.000 1.069 285 M CA 1.703 56.704 55.300 -0.498 0.000 1.102 285 M CB -0.510 31.975 32.600 -0.191 0.000 1.336 285 M HN 0.311 nan 8.290 nan 0.000 0.404 286 I N -1.588 118.821 120.570 -0.268 0.000 3.334 286 I HA -0.074 4.096 4.170 -0.000 0.000 0.282 286 I C 1.435 177.424 176.117 -0.212 0.000 1.313 286 I CA 1.375 62.547 61.300 -0.214 0.000 1.396 286 I CB -1.022 36.897 38.000 -0.135 0.000 1.054 286 I HN 0.328 nan 8.210 nan 0.000 0.495 287 T N -2.545 111.860 114.554 -0.249 0.000 3.069 287 T HA 0.290 4.640 4.350 -0.000 0.000 0.252 287 T C 1.462 175.995 174.700 -0.280 0.000 1.053 287 T CA -0.245 61.721 62.100 -0.224 0.000 0.964 287 T CB -0.011 68.748 68.868 -0.182 0.000 1.005 287 T HN 0.408 nan 8.240 nan 0.000 0.532 288 R N 0.985 121.259 120.500 -0.377 0.000 2.508 288 R HA 0.328 4.668 4.340 -0.000 0.000 0.300 288 R C -0.132 175.851 176.300 -0.529 0.000 0.970 288 R CA -0.006 55.842 56.100 -0.420 0.000 1.102 288 R CB 1.341 31.336 30.300 -0.509 0.000 1.246 288 R HN 0.428 nan 8.270 nan 0.000 0.539 289 V N -0.745 118.837 119.914 -0.553 0.000 2.383 289 V HA 0.468 4.588 4.120 -0.000 0.000 0.261 289 V C -2.694 173.036 176.094 -0.607 0.000 0.987 289 V CA -2.364 59.490 62.300 -0.743 0.000 0.853 289 V CB 0.715 32.065 31.823 -0.789 0.000 1.095 289 V HN -0.109 nan 8.190 nan 0.000 0.461 290 P HA 0.505 nan 4.420 nan 0.000 0.276 290 P C -0.633 176.343 177.300 -0.541 0.000 1.252 290 P CA -0.346 62.415 63.100 -0.565 0.000 0.802 290 P CB 1.818 33.165 31.700 -0.588 0.000 1.035 291 L N 0.322 121.407 121.223 -0.231 0.000 2.352 291 L HA 0.575 4.915 4.340 -0.000 0.000 0.269 291 L C 1.499 178.421 176.870 0.087 0.000 1.034 291 L CA -0.159 54.645 54.840 -0.060 0.000 0.806 291 L CB 0.418 42.475 42.059 -0.004 0.000 1.244 291 L HN 0.474 nan 8.230 nan 0.000 0.447 292 G N -0.048 108.830 108.800 0.131 0.000 2.683 292 G HA2 0.406 4.366 3.960 -0.000 0.000 0.260 292 G HA3 0.406 4.366 3.960 -0.000 0.000 0.260 292 G C -0.759 174.140 174.900 -0.002 0.000 1.238 292 G CA -0.358 44.784 45.100 0.069 0.000 0.934 292 G HN 0.500 nan 8.290 nan 0.000 0.534 293 S N -1.407 114.262 115.700 -0.051 0.000 2.561 293 S HA 0.593 5.063 4.470 -0.000 0.000 0.303 293 S C -1.035 173.542 174.600 -0.038 0.000 1.110 293 S CA -0.510 57.685 58.200 -0.008 0.000 1.034 293 S CB 1.715 64.925 63.200 0.015 0.000 1.010 293 S HN 0.832 nan 8.310 nan 0.000 0.482 294 V N 4.799 124.740 119.914 0.045 0.000 3.000 294 V HA 0.553 4.673 4.120 -0.000 0.000 0.300 294 V C -1.945 174.299 176.094 0.249 0.000 1.251 294 V CA -0.722 61.637 62.300 0.098 0.000 0.972 294 V CB 1.750 33.560 31.823 -0.021 0.000 1.065 294 V HN 0.884 nan 8.190 nan 0.000 0.431 295 I N 5.388 126.114 120.570 0.260 0.000 2.362 295 I HA 0.513 4.683 4.170 -0.000 0.000 0.289 295 I C -0.183 176.159 176.117 0.375 0.000 0.994 295 I CA -0.605 60.866 61.300 0.285 0.000 1.158 295 I CB 1.680 39.791 38.000 0.185 0.000 1.315 295 I HN 0.523 nan 8.210 nan 0.000 0.451 296 K N 5.998 126.654 120.400 0.427 0.000 2.211 296 K HA 0.570 4.890 4.320 -0.000 0.000 0.275 296 K C -1.432 175.279 176.600 0.185 0.000 1.024 296 K CA -0.308 56.201 56.287 0.370 0.000 0.887 296 K CB 0.921 33.707 32.500 0.476 0.000 1.084 296 K HN 0.693 nan 8.250 nan 0.000 0.463 297 C N 5.358 124.726 119.300 0.113 0.000 2.441 297 C HA 0.567 5.027 4.460 -0.000 0.000 0.318 297 C C -0.849 174.188 174.990 0.079 0.000 1.222 297 C CA -1.085 57.999 59.018 0.109 0.000 1.474 297 C CB 0.056 27.967 27.740 0.285 0.000 2.125 297 C HN 0.737 nan 8.230 nan 0.000 0.479 298 I N 3.082 123.662 120.570 0.016 0.000 2.439 298 I HA 0.406 4.576 4.170 -0.000 0.000 0.285 298 I C -0.267 175.874 176.117 0.040 0.000 1.021 298 I CA -0.125 61.148 61.300 -0.045 0.000 1.091 298 I CB 1.408 39.331 38.000 -0.130 0.000 1.242 298 I HN 0.353 nan 8.210 nan 0.000 0.439 299 V N 6.761 126.697 119.914 0.037 0.000 2.394 299 V HA 0.373 4.493 4.120 -0.000 0.000 0.282 299 V C -0.584 175.347 176.094 -0.272 0.000 1.031 299 V CA -0.659 61.673 62.300 0.053 0.000 0.881 299 V CB 0.750 32.642 31.823 0.116 0.000 0.982 299 V HN 0.406 nan 8.190 nan 0.000 0.451 300 Y N 4.148 124.395 120.300 -0.089 0.000 2.387 300 Y HA 0.669 5.219 4.550 -0.000 0.000 0.330 300 Y C -0.252 175.512 175.900 -0.228 0.000 1.133 300 Y CA -0.398 57.696 58.100 -0.009 0.000 1.152 300 Y CB 1.391 39.946 38.460 0.158 0.000 1.215 300 Y HN 0.530 nan 8.280 nan 0.000 0.466 301 Y N -0.117 120.436 120.300 0.422 0.000 2.609 301 Y HA 0.275 4.825 4.550 -0.000 0.000 0.342 301 Y C 1.094 177.142 175.900 0.245 0.000 1.058 301 Y CA -1.391 56.926 58.100 0.362 0.000 1.055 301 Y CB 1.953 40.723 38.460 0.516 0.000 1.292 301 Y HN 0.499 nan 8.280 nan 0.000 0.476 302 K N 0.322 120.940 120.400 0.363 0.000 2.063 302 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 302 K C -0.401 176.273 176.600 0.122 0.000 1.048 302 K CA 1.603 57.998 56.287 0.181 0.000 0.928 302 K CB 0.227 32.804 32.500 0.128 0.000 0.713 302 K HN 0.631 nan 8.250 nan 0.000 0.442 303 E N -0.490 119.798 120.200 0.147 0.000 2.408 303 E HA 0.201 4.551 4.350 -0.000 0.000 0.275 303 E C -2.665 173.807 176.600 -0.212 0.000 0.935 303 E CA -2.130 54.262 56.400 -0.014 0.000 0.775 303 E CB 1.948 31.630 29.700 -0.030 0.000 1.277 303 E HN -0.019 nan 8.360 nan 0.000 0.455 304 P HA 0.077 nan 4.420 nan 0.000 0.230 304 P C 0.631 176.994 177.300 -1.562 0.000 1.791 304 P CA -0.094 62.083 63.100 -1.538 0.000 1.020 304 P CB -1.148 29.951 31.700 -1.002 0.000 1.977 305 F N 0.005 119.393 119.950 -0.937 0.000 2.333 305 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 305 F C 1.722 177.356 175.800 -0.278 0.000 1.083 305 F CA -0.074 57.671 58.000 -0.426 0.000 1.395 305 F CB -1.706 37.175 39.000 -0.200 0.000 1.056 305 F HN 0.127 nan 8.300 nan 0.000 0.529 306 W N 1.310 122.278 121.300 -0.554 0.000 2.374 306 W HA 0.040 4.700 4.660 0.000 0.000 0.288 306 W C 2.024 178.487 176.519 -0.093 0.000 1.218 306 W CA 0.825 58.038 57.345 -0.220 0.000 1.245 306 W CB -1.118 28.149 29.460 -0.321 0.000 1.126 306 W HN -0.139 nan 8.180 nan 0.000 0.545 307 R N 1.291 121.573 120.500 -0.363 0.000 2.120 307 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 307 R C 2.046 178.261 176.300 -0.142 0.000 1.123 307 R CA 1.716 57.702 56.100 -0.190 0.000 0.975 307 R CB -0.442 29.686 30.300 -0.286 0.000 0.866 307 R HN 0.301 nan 8.270 nan 0.000 0.446 308 K N 0.705 121.017 120.400 -0.147 0.000 2.280 308 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 308 K C 1.304 177.834 176.600 -0.117 0.000 1.047 308 K CA 0.990 57.216 56.287 -0.102 0.000 0.942 308 K CB 0.053 32.514 32.500 -0.065 0.000 0.739 308 K HN 0.157 nan 8.250 nan 0.000 0.457 309 K N 0.909 121.210 120.400 -0.166 0.000 2.410 309 K HA -0.019 4.301 4.320 -0.000 0.000 0.200 309 K C -0.495 175.768 176.600 -0.562 0.000 1.023 309 K CA 0.048 56.124 56.287 -0.351 0.000 1.149 309 K CB 0.310 32.568 32.500 -0.405 0.000 0.859 309 K HN 0.004 nan 8.250 nan 0.000 0.514 310 D N 0.332 120.554 120.400 -0.298 0.000 2.800 310 D HA -0.215 4.425 4.640 -0.000 0.000 0.232 310 D C -1.376 174.854 176.300 -0.118 0.000 1.137 310 D CA 0.906 54.794 54.000 -0.185 0.000 0.718 310 D CB -1.427 39.287 40.800 -0.143 0.000 1.084 310 D HN 0.346 nan 8.370 nan 0.000 0.432 311 Y N -0.882 119.454 120.300 0.059 0.000 2.377 311 Y HA 0.324 4.874 4.550 -0.000 0.000 0.339 311 Y C 2.029 178.006 175.900 0.128 0.000 1.011 311 Y CA -0.939 57.198 58.100 0.061 0.000 1.093 311 Y CB 1.291 39.795 38.460 0.075 0.000 1.201 311 Y HN 0.249 nan 8.280 nan 0.000 0.455 312 C N -1.041 118.380 119.300 0.203 0.000 2.514 312 C HA 0.460 4.920 4.460 -0.000 0.000 0.271 312 C C 1.713 176.768 174.990 0.107 0.000 1.399 312 C CA 0.560 59.673 59.018 0.159 0.000 1.765 312 C CB -0.890 26.868 27.740 0.029 0.000 1.893 312 C HN 1.224 nan 8.230 nan 0.000 0.531 313 G N -0.223 108.475 108.800 -0.169 0.000 2.231 313 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.206 313 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.206 313 G C 0.040 174.606 174.900 -0.557 0.000 0.996 313 G CA 0.166 44.848 45.100 -0.697 0.000 0.645 313 G HN 0.556 nan 8.290 nan 0.000 0.498 314 T N 2.454 116.783 114.554 -0.375 0.000 2.779 314 T HA 0.609 4.959 4.350 -0.000 0.000 0.296 314 T C 0.316 174.813 174.700 -0.339 0.000 0.938 314 T CA 0.615 62.477 62.100 -0.396 0.000 1.119 314 T CB 0.785 69.478 68.868 -0.293 0.000 0.891 314 T HN 0.290 nan 8.240 nan 0.000 0.526 315 M N 4.092 123.474 119.600 -0.363 0.000 2.259 315 M HA 0.490 4.970 4.480 -0.000 0.000 0.304 315 M C -0.853 175.442 176.300 -0.009 0.000 1.019 315 M CA -0.571 54.631 55.300 -0.164 0.000 0.922 315 M CB 2.155 34.633 32.600 -0.204 0.000 1.600 315 M HN 0.412 nan 8.290 nan 0.000 0.433 316 I N 4.789 125.502 120.570 0.239 0.000 2.354 316 I HA 0.441 4.611 4.170 -0.000 0.000 0.286 316 I C -0.858 175.531 176.117 0.452 0.000 1.007 316 I CA -0.317 61.232 61.300 0.415 0.000 1.167 316 I CB 0.961 39.235 38.000 0.457 0.000 1.320 316 I HN 0.612 nan 8.210 nan 0.000 0.458 317 I N 5.319 126.108 120.570 0.365 0.000 2.390 317 I HA 0.284 4.454 4.170 -0.000 0.000 0.283 317 I C -0.291 176.007 176.117 0.301 0.000 1.016 317 I CA -0.493 60.999 61.300 0.320 0.000 1.151 317 I CB 1.230 39.353 38.000 0.206 0.000 1.293 317 I HN 0.466 nan 8.210 nan 0.000 0.458 318 D N 4.537 125.119 120.400 0.304 0.000 2.312 318 D HA 0.653 5.293 4.640 -0.000 0.000 0.248 318 D C 0.174 176.591 176.300 0.196 0.000 1.086 318 D CA 0.569 54.715 54.000 0.242 0.000 0.948 318 D CB 1.939 42.876 40.800 0.227 0.000 1.162 318 D HN 0.790 nan 8.370 nan 0.000 0.446 319 G N 1.808 110.704 108.800 0.159 0.000 2.640 319 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.686 319 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.686 319 G C 0.424 175.401 174.900 0.129 0.000 1.229 319 G CA 0.131 45.310 45.100 0.132 0.000 0.796 319 G HN 0.440 nan 8.290 nan 0.000 0.654 320 E N 0.326 120.596 120.200 0.117 0.000 2.106 320 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 320 E C 2.171 178.835 176.600 0.106 0.000 0.984 320 E CA 2.425 58.903 56.400 0.131 0.000 0.806 320 E CB -0.008 29.765 29.700 0.122 0.000 0.750 320 E HN 0.660 nan 8.360 nan 0.000 0.458 321 E N 0.501 120.754 120.200 0.089 0.000 2.150 321 E HA 0.035 4.385 4.350 -0.000 0.000 0.193 321 E C 0.425 177.059 176.600 0.057 0.000 0.985 321 E CA 0.933 57.374 56.400 0.068 0.000 0.814 321 E CB -0.391 29.348 29.700 0.064 0.000 0.752 321 E HN 0.287 nan 8.360 nan 0.000 0.466 322 A N 2.561 125.426 122.820 0.074 0.000 2.451 322 A HA 0.183 4.503 4.320 -0.000 0.000 0.266 322 A C -1.401 176.213 177.584 0.049 0.000 1.119 322 A CA -1.178 50.896 52.037 0.062 0.000 0.786 322 A CB 0.199 19.258 19.000 0.098 0.000 1.061 322 A HN -0.009 nan 8.150 nan 0.000 0.503 323 P HA -0.041 nan 4.420 nan 0.000 0.219 323 P C 0.218 177.553 177.300 0.059 0.000 1.150 323 P CA 0.972 64.082 63.100 0.016 0.000 0.814 323 P CB 0.107 31.799 31.700 -0.012 0.000 0.787 324 V N 0.179 120.150 119.914 0.094 0.000 2.448 324 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 324 V C 1.123 177.338 176.094 0.202 0.000 1.025 324 V CA -0.155 62.249 62.300 0.173 0.000 0.859 324 V CB 1.344 33.301 31.823 0.223 0.000 0.988 324 V HN -0.029 nan 8.190 nan 0.000 0.431 325 A N 4.482 127.449 122.820 0.245 0.000 2.220 325 A HA 0.321 4.641 4.320 -0.000 0.000 0.211 325 A C 0.147 177.956 177.584 0.376 0.000 1.176 325 A CA 0.549 52.751 52.037 0.275 0.000 0.834 325 A CB 0.178 19.326 19.000 0.247 0.000 0.868 325 A HN 0.759 nan 8.150 nan 0.000 0.488 326 Y N -0.064 120.362 120.300 0.210 0.000 2.442 326 Y HA 0.469 5.019 4.550 -0.000 0.000 0.330 326 Y C -0.385 175.577 175.900 0.103 0.000 1.100 326 Y CA -0.426 57.785 58.100 0.185 0.000 1.034 326 Y CB 1.525 40.145 38.460 0.266 0.000 1.285 326 Y HN 0.128 nan 8.280 nan 0.000 0.440 327 T N 3.959 118.190 114.554 -0.538 0.000 2.906 327 T HA 0.877 5.227 4.350 -0.000 0.000 0.295 327 T C -1.518 172.745 174.700 -0.728 0.000 1.075 327 T CA -0.826 60.952 62.100 -0.538 0.000 1.005 327 T CB 1.885 70.427 68.868 -0.543 0.000 1.136 327 T HN 0.610 nan 8.240 nan 0.000 0.498 328 L N 0.955 121.881 121.223 -0.495 0.000 2.393 328 L HA 0.495 4.835 4.340 -0.000 0.000 0.260 328 L C -0.721 175.961 176.870 -0.314 0.000 1.002 328 L CA -1.262 53.350 54.840 -0.381 0.000 0.818 328 L CB 2.255 44.170 42.059 -0.240 0.000 1.369 328 L HN 0.742 nan 8.230 nan 0.000 0.412 329 D N 0.884 121.134 120.400 -0.250 0.000 2.450 329 D HA -0.040 4.600 4.640 -0.000 0.000 0.247 329 D C -0.213 176.105 176.300 0.029 0.000 1.162 329 D CA 0.609 54.539 54.000 -0.116 0.000 0.879 329 D CB 1.189 42.044 40.800 0.090 0.000 1.163 329 D HN 0.508 nan 8.370 nan 0.000 0.472 330 D N 1.793 122.217 120.400 0.040 0.000 2.440 330 D HA 0.070 4.710 4.640 -0.000 0.000 0.216 330 D C -0.312 176.072 176.300 0.141 0.000 1.150 330 D CA -0.132 53.919 54.000 0.085 0.000 0.832 330 D CB 0.390 41.177 40.800 -0.020 0.000 0.992 330 D HN 0.241 nan 8.370 nan 0.000 0.502 331 T N 1.595 116.272 114.554 0.203 0.000 2.946 331 T HA 0.010 4.360 4.350 -0.000 0.000 0.311 331 T C 0.533 175.309 174.700 0.126 0.000 1.063 331 T CA -0.067 62.150 62.100 0.194 0.000 1.139 331 T CB 0.767 69.757 68.868 0.203 0.000 0.994 331 T HN -0.067 nan 8.240 nan 0.000 0.547 332 K N 3.766 124.202 120.400 0.059 0.000 2.319 332 K HA 0.086 4.406 4.320 -0.000 0.000 0.265 332 K C -1.423 175.060 176.600 -0.194 0.000 1.000 332 K CA -1.914 54.307 56.287 -0.110 0.000 0.943 332 K CB 0.159 32.636 32.500 -0.037 0.000 0.950 332 K HN 0.320 nan 8.250 nan 0.000 0.485 333 P HA -0.147 nan 4.420 nan 0.000 0.218 333 P C 0.428 177.656 177.300 -0.119 0.000 1.148 333 P CA 1.399 64.287 63.100 -0.352 0.000 0.822 333 P CB 0.319 31.729 31.700 -0.483 0.000 0.784 334 E N -1.094 119.055 120.200 -0.084 0.000 2.338 334 E HA 0.086 4.436 4.350 -0.000 0.000 0.197 334 E C 1.613 178.204 176.600 -0.014 0.000 1.007 334 E CA 1.146 57.532 56.400 -0.023 0.000 0.849 334 E CB -0.856 28.852 29.700 0.013 0.000 0.774 334 E HN 0.333 nan 8.360 nan 0.000 0.506 335 G N 0.481 109.274 108.800 -0.012 0.000 2.176 335 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 335 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 335 G C 0.115 175.008 174.900 -0.012 0.000 0.986 335 G CA 0.222 45.313 45.100 -0.016 0.000 0.643 335 G HN 0.366 nan 8.290 nan 0.000 0.522 336 N N -0.634 118.077 118.700 0.019 0.000 2.604 336 N HA 0.527 5.267 4.740 -0.000 0.000 0.297 336 N C 0.539 176.127 175.510 0.129 0.000 1.266 336 N CA -0.841 52.195 53.050 -0.022 0.000 0.961 336 N CB -0.036 38.361 38.487 -0.150 0.000 1.166 336 N HN 0.602 nan 8.380 nan 0.000 0.601 337 Y N -2.694 117.635 120.300 0.050 0.000 3.108 337 Y HA -0.176 4.374 4.550 -0.000 0.000 0.208 337 Y C 0.630 176.664 175.900 0.223 0.000 1.245 337 Y CA 0.322 58.504 58.100 0.137 0.000 1.171 337 Y CB -2.350 36.154 38.460 0.074 0.000 1.331 337 Y HN 0.747 nan 8.280 nan 0.000 0.534 338 A N 0.316 123.297 122.820 0.267 0.000 2.565 338 A HA 0.555 4.875 4.320 -0.000 0.000 0.237 338 A C 0.744 178.573 177.584 0.408 0.000 1.053 338 A CA 0.628 52.838 52.037 0.289 0.000 0.755 338 A CB 0.113 19.211 19.000 0.164 0.000 0.980 338 A HN 1.514 nan 8.150 nan 0.000 0.506 339 A N 2.314 125.379 122.820 0.409 0.000 2.605 339 A HA 0.621 4.941 4.320 -0.000 0.000 0.294 339 A C -1.050 176.539 177.584 0.007 0.000 1.062 339 A CA -0.533 51.559 52.037 0.092 0.000 0.682 339 A CB 0.954 19.672 19.000 -0.469 0.000 1.278 339 A HN 0.716 nan 8.150 nan 0.000 0.410 340 I N 2.508 122.977 120.570 -0.169 0.000 2.389 340 I HA 0.367 4.537 4.170 -0.000 0.000 0.288 340 I C -0.181 175.782 176.117 -0.256 0.000 0.999 340 I CA -0.405 60.658 61.300 -0.395 0.000 1.129 340 I CB 1.637 39.252 38.000 -0.641 0.000 1.288 340 I HN 0.761 nan 8.210 nan 0.000 0.444 341 M N 5.798 125.242 119.600 -0.259 0.000 2.188 341 M HA 0.602 5.082 4.480 -0.000 0.000 0.357 341 M C -0.320 175.826 176.300 -0.258 0.000 1.204 341 M CA -0.125 55.050 55.300 -0.208 0.000 1.095 341 M CB 1.058 33.558 32.600 -0.165 0.000 1.604 341 M HN 0.702 nan 8.290 nan 0.000 0.464 342 G N 4.459 113.159 108.800 -0.166 0.000 2.612 342 G HA2 0.689 4.649 3.960 -0.000 0.000 0.298 342 G HA3 0.689 4.649 3.960 -0.000 0.000 0.298 342 G C -1.965 172.870 174.900 -0.109 0.000 1.336 342 G CA -0.548 44.494 45.100 -0.096 0.000 0.953 342 G HN 0.652 nan 8.290 nan 0.000 0.482 343 F N 0.569 120.661 119.950 0.237 0.000 2.436 343 F HA 0.493 5.020 4.527 -0.000 0.000 0.340 343 F C 0.550 176.457 175.800 0.178 0.000 1.113 343 F CA -0.716 57.422 58.000 0.230 0.000 1.022 343 F CB 2.161 41.323 39.000 0.270 0.000 1.128 343 F HN 0.061 nan 8.300 nan 0.000 0.466 344 I N 5.267 126.041 120.570 0.341 0.000 2.297 344 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 344 I C -0.666 175.539 176.117 0.146 0.000 1.033 344 I CA -0.274 61.142 61.300 0.194 0.000 1.253 344 I CB 0.718 38.800 38.000 0.136 0.000 1.396 344 I HN 0.384 nan 8.210 nan 0.000 0.476 345 L N 6.526 127.797 121.223 0.080 0.000 2.317 345 L HA 0.694 5.034 4.340 -0.000 0.000 0.281 345 L C 0.972 177.808 176.870 -0.056 0.000 1.024 345 L CA -0.178 54.670 54.840 0.014 0.000 0.810 345 L CB 1.520 43.597 42.059 0.030 0.000 1.240 345 L HN 0.907 nan 8.230 nan 0.000 0.427 346 A N 2.170 124.950 122.820 -0.065 0.000 5.308 346 A HA -0.367 3.953 4.320 -0.000 0.000 0.321 346 A C 1.700 179.277 177.584 -0.012 0.000 1.849 346 A CA 1.540 53.547 52.037 -0.051 0.000 0.713 346 A CB -1.595 17.375 19.000 -0.050 0.000 1.360 346 A HN 1.083 nan 8.150 nan 0.000 0.384 347 H N 0.978 120.040 119.070 -0.013 0.000 2.457 347 H HA -0.045 4.511 4.556 -0.000 0.000 0.297 347 H C 1.669 177.015 175.328 0.031 0.000 1.092 347 H CA 1.868 57.925 56.048 0.016 0.000 1.309 347 H CB -0.376 29.405 29.762 0.031 0.000 1.382 347 H HN 0.736 nan 8.280 nan 0.000 0.535 348 K N 0.698 120.762 120.400 -0.560 0.000 2.211 348 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 348 K C 2.566 179.107 176.600 -0.099 0.000 1.050 348 K CA 0.873 56.953 56.287 -0.344 0.000 0.945 348 K CB 0.047 32.358 32.500 -0.314 0.000 0.732 348 K HN 0.337 nan 8.250 nan 0.000 0.451 349 A N 1.739 124.529 122.820 -0.050 0.000 1.930 349 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 349 A C 2.007 179.606 177.584 0.025 0.000 1.175 349 A CA 1.186 53.234 52.037 0.018 0.000 0.627 349 A CB -0.268 18.756 19.000 0.041 0.000 0.815 349 A HN 0.202 nan 8.150 nan 0.000 0.443 350 R N -0.486 120.029 120.500 0.024 0.000 2.073 350 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 350 R C 2.343 178.666 176.300 0.039 0.000 1.120 350 R CA 1.359 57.483 56.100 0.040 0.000 0.967 350 R CB -0.309 30.026 30.300 0.059 0.000 0.862 350 R HN 0.554 nan 8.270 nan 0.000 0.436 351 K N 1.299 121.723 120.400 0.039 0.000 2.057 351 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 351 K C 1.733 178.350 176.600 0.027 0.000 1.049 351 K CA 1.198 57.511 56.287 0.043 0.000 0.931 351 K CB 0.082 32.617 32.500 0.058 0.000 0.714 351 K HN 0.140 nan 8.250 nan 0.000 0.440 352 L N 0.135 121.368 121.223 0.017 0.000 2.592 352 L HA 0.149 4.489 4.340 -0.000 0.000 0.227 352 L C 2.145 179.031 176.870 0.027 0.000 1.127 352 L CA 0.121 54.972 54.840 0.019 0.000 0.884 352 L CB 0.078 42.146 42.059 0.015 0.000 1.065 352 L HN 0.174 nan 8.230 nan 0.000 0.457 353 A N 0.707 123.544 122.820 0.029 0.000 2.019 353 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 353 A C 2.355 179.953 177.584 0.023 0.000 1.164 353 A CA 1.119 53.173 52.037 0.029 0.000 0.644 353 A CB -0.319 18.697 19.000 0.027 0.000 0.805 353 A HN 0.365 nan 8.150 nan 0.000 0.449 354 R N -0.458 120.054 120.500 0.020 0.000 2.120 354 R HA 0.025 4.364 4.340 -0.000 0.000 0.234 354 R C 0.330 176.639 176.300 0.015 0.000 1.123 354 R CA 0.402 56.512 56.100 0.016 0.000 0.975 354 R CB -0.620 29.690 30.300 0.016 0.000 0.866 354 R HN 0.440 nan 8.270 nan 0.000 0.446 355 L N 1.058 122.291 121.223 0.016 0.000 2.474 355 L HA 0.051 4.391 4.340 -0.000 0.000 0.259 355 L C 1.084 177.966 176.870 0.019 0.000 1.232 355 L CA -0.278 54.571 54.840 0.014 0.000 0.821 355 L CB 0.160 42.225 42.059 0.010 0.000 1.108 355 L HN 0.174 nan 8.230 nan 0.000 0.495 356 T N -2.674 111.889 114.554 0.015 0.000 2.849 356 T HA 0.122 4.472 4.350 -0.000 0.000 0.284 356 T C 0.888 175.612 174.700 0.041 0.000 1.004 356 T CA -0.691 61.423 62.100 0.023 0.000 1.021 356 T CB 1.319 70.196 68.868 0.015 0.000 1.013 356 T HN 0.668 nan 8.240 nan 0.000 0.527 357 K N 0.416 120.856 120.400 0.067 0.000 2.044 357 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 357 K C 1.953 178.605 176.600 0.088 0.000 1.049 357 K CA 2.051 58.422 56.287 0.140 0.000 0.927 357 K CB -0.228 32.361 32.500 0.148 0.000 0.713 357 K HN 0.706 nan 8.250 nan 0.000 0.443 358 E N 0.667 120.884 120.200 0.029 0.000 2.110 358 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 358 E C 1.821 178.377 176.600 -0.073 0.000 0.988 358 E CA 1.462 57.843 56.400 -0.033 0.000 0.804 358 E CB 0.013 29.705 29.700 -0.014 0.000 0.745 358 E HN 0.412 nan 8.360 nan 0.000 0.458 359 E N 0.174 120.349 120.200 -0.042 0.000 2.072 359 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 359 E C 2.146 178.700 176.600 -0.076 0.000 0.985 359 E CA 0.703 57.074 56.400 -0.049 0.000 0.801 359 E CB -0.023 29.664 29.700 -0.022 0.000 0.750 359 E HN 0.128 nan 8.360 nan 0.000 0.452 360 R N 0.314 120.776 120.500 -0.063 0.000 2.081 360 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 360 R C 2.476 178.626 176.300 -0.248 0.000 1.131 360 R CA 0.831 56.882 56.100 -0.081 0.000 0.960 360 R CB -0.374 29.950 30.300 0.039 0.000 0.856 360 R HN 0.121 nan 8.270 nan 0.000 0.436 361 L N 1.827 122.781 121.223 -0.448 0.000 2.013 361 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 361 L C 2.216 178.864 176.870 -0.371 0.000 1.073 361 L CA 1.920 56.335 54.840 -0.708 0.000 0.753 361 L CB -0.478 41.114 42.059 -0.779 0.000 0.890 361 L HN 0.016 nan 8.230 nan 0.000 0.432 362 K N -0.571 119.689 120.400 -0.233 0.000 2.026 362 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 362 K C 2.183 178.691 176.600 -0.152 0.000 1.048 362 K CA 1.725 57.922 56.287 -0.150 0.000 0.929 362 K CB -0.103 32.339 32.500 -0.097 0.000 0.713 362 K HN 0.333 nan 8.250 nan 0.000 0.439 363 K N 0.164 120.471 120.400 -0.154 0.000 2.057 363 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 363 K C 2.107 178.568 176.600 -0.230 0.000 1.049 363 K CA 1.194 57.394 56.287 -0.145 0.000 0.931 363 K CB -0.107 32.331 32.500 -0.104 0.000 0.714 363 K HN 0.055 nan 8.250 nan 0.000 0.440 364 L N 0.779 121.807 121.223 -0.325 0.000 2.027 364 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 364 L C 2.458 178.881 176.870 -0.746 0.000 1.074 364 L CA 1.508 55.982 54.840 -0.609 0.000 0.745 364 L CB -0.696 41.036 42.059 -0.544 0.000 0.898 364 L HN 0.231 nan 8.230 nan 0.000 0.433 365 C N -0.668 118.416 119.300 -0.361 0.000 2.429 365 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 365 C C 2.646 177.600 174.990 -0.061 0.000 1.262 365 C CA 0.596 59.553 59.018 -0.101 0.000 1.733 365 C CB -0.776 26.965 27.740 0.002 0.000 2.010 365 C HN 0.549 nan 8.230 nan 0.000 0.483 366 E N 0.301 120.440 120.200 -0.102 0.000 2.106 366 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 366 E C 2.002 178.566 176.600 -0.060 0.000 0.984 366 E CA 0.932 57.299 56.400 -0.056 0.000 0.806 366 E CB -0.282 29.385 29.700 -0.054 0.000 0.750 366 E HN 0.517 nan 8.360 nan 0.000 0.458 367 L N 0.451 121.591 121.223 -0.137 0.000 1.994 367 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 367 L C 2.045 178.921 176.870 0.010 0.000 1.071 367 L CA 1.759 56.533 54.840 -0.111 0.000 0.745 367 L CB -0.616 41.339 42.059 -0.174 0.000 0.892 367 L HN 0.197 nan 8.230 nan 0.000 0.431 368 Y N -0.791 119.494 120.300 -0.025 0.000 2.224 368 Y HA -0.219 4.331 4.550 -0.000 0.000 0.289 368 Y C 2.525 178.436 175.900 0.019 0.000 1.146 368 Y CA 0.253 58.342 58.100 -0.017 0.000 1.182 368 Y CB -0.520 37.967 38.460 0.046 0.000 0.983 368 Y HN 0.389 nan 8.280 nan 0.000 0.524 369 A N 0.647 123.578 122.820 0.185 0.000 1.908 369 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 369 A C 2.139 179.772 177.584 0.083 0.000 1.181 369 A CA 1.752 53.861 52.037 0.121 0.000 0.627 369 A CB -0.502 18.540 19.000 0.069 0.000 0.818 369 A HN 0.356 nan 8.150 nan 0.000 0.445 370 K N -0.622 119.803 120.400 0.042 0.000 2.002 370 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 370 K C 1.943 178.543 176.600 0.001 0.000 1.048 370 K CA 1.621 57.921 56.287 0.021 0.000 0.930 370 K CB -0.341 32.148 32.500 -0.017 0.000 0.714 370 K HN 0.315 nan 8.250 nan 0.000 0.438 371 V N 1.562 121.417 119.914 -0.099 0.000 2.379 371 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 371 V C 2.055 178.104 176.094 -0.074 0.000 1.044 371 V CA 1.432 63.631 62.300 -0.168 0.000 1.036 371 V CB -0.304 31.361 31.823 -0.263 0.000 0.664 371 V HN 0.272 nan 8.190 nan 0.000 0.453 372 L N 0.534 121.749 121.223 -0.012 0.000 2.554 372 L HA 0.261 4.601 4.340 -0.000 0.000 0.226 372 L C 1.639 178.647 176.870 0.229 0.000 1.137 372 L CA 0.745 55.623 54.840 0.063 0.000 0.863 372 L CB -0.761 41.423 42.059 0.208 0.000 0.985 372 L HN 0.543 nan 8.230 nan 0.000 0.451 373 G N 0.804 109.697 108.800 0.155 0.000 2.338 373 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.296 373 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.296 373 G C -0.077 174.915 174.900 0.154 0.000 1.040 373 G CA 0.483 45.673 45.100 0.151 0.000 1.004 373 G HN 0.341 nan 8.290 nan 0.000 0.509 374 S N -0.898 114.885 115.700 0.139 0.000 2.677 374 S HA 0.454 4.924 4.470 -0.000 0.000 0.283 374 S C 1.094 175.672 174.600 -0.037 0.000 1.159 374 S CA -0.783 57.460 58.200 0.073 0.000 1.001 374 S CB 1.736 65.049 63.200 0.190 0.000 1.032 374 S HN 0.244 nan 8.310 nan 0.000 0.487 375 L N 1.945 123.120 121.223 -0.081 0.000 2.362 375 L HA -0.047 4.293 4.340 -0.000 0.000 0.219 375 L C 2.097 178.853 176.870 -0.189 0.000 1.134 375 L CA 1.077 55.862 54.840 -0.091 0.000 0.807 375 L CB -0.323 41.698 42.059 -0.063 0.000 0.927 375 L HN 0.708 nan 8.230 nan 0.000 0.447 376 E N 0.561 120.512 120.200 -0.415 0.000 2.204 376 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 376 E C 2.251 178.446 176.600 -0.676 0.000 0.990 376 E CA 0.957 56.937 56.400 -0.699 0.000 0.821 376 E CB -0.111 28.814 29.700 -1.291 0.000 0.750 376 E HN 0.509 nan 8.360 nan 0.000 0.477 377 A N 0.849 123.384 122.820 -0.475 0.000 2.125 377 A HA -0.096 4.223 4.320 -0.000 0.000 0.219 377 A C 1.921 179.677 177.584 0.287 0.000 1.156 377 A CA 0.758 52.825 52.037 0.051 0.000 0.671 377 A CB -0.331 18.839 19.000 0.283 0.000 0.794 377 A HN 0.164 nan 8.150 nan 0.000 0.459 378 L N -1.223 120.068 121.223 0.114 0.000 2.591 378 L HA 0.125 4.465 4.340 -0.000 0.000 0.228 378 L C 0.500 177.449 176.870 0.130 0.000 1.133 378 L CA 0.247 55.152 54.840 0.109 0.000 0.880 378 L CB 0.038 42.118 42.059 0.035 0.000 1.033 378 L HN 0.170 nan 8.230 nan 0.000 0.450 379 E N 0.701 121.030 120.200 0.214 0.000 3.659 379 E HA 0.193 4.543 4.350 -0.000 0.000 0.217 379 E C -2.264 174.506 176.600 0.283 0.000 1.141 379 E CA -1.857 54.654 56.400 0.185 0.000 1.340 379 E CB 0.529 30.294 29.700 0.108 0.000 1.295 379 E HN 0.043 nan 8.360 nan 0.000 0.434 380 P HA -0.018 nan 4.420 nan 0.000 0.272 380 P C 0.764 178.100 177.300 0.059 0.000 1.223 380 P CA -0.081 62.997 63.100 -0.037 0.000 0.784 380 P CB 1.662 33.284 31.700 -0.130 0.000 0.923 381 V N -1.969 117.998 119.914 0.088 0.000 3.565 381 V HA 0.317 4.437 4.120 -0.000 0.000 0.260 381 V C 0.468 176.690 176.094 0.214 0.000 1.231 381 V CA 0.757 63.144 62.300 0.144 0.000 1.100 381 V CB -1.186 30.727 31.823 0.151 0.000 0.807 381 V HN 0.679 nan 8.190 nan 0.000 0.454 382 H N -1.166 117.971 119.070 0.112 0.000 2.987 382 H HA 0.617 5.173 4.556 -0.000 0.000 0.316 382 H C -2.318 173.217 175.328 0.344 0.000 1.380 382 H CA -0.680 55.448 56.048 0.132 0.000 1.160 382 H CB 1.930 31.657 29.762 -0.058 0.000 1.865 382 H HN 0.146 nan 8.280 nan 0.000 0.521 383 Y N 1.607 121.642 120.300 -0.442 0.000 2.479 383 Y HA 0.498 5.048 4.550 -0.000 0.000 0.338 383 Y C -1.713 174.072 175.900 -0.192 0.000 1.055 383 Y CA -0.647 57.377 58.100 -0.127 0.000 1.023 383 Y CB 1.722 40.115 38.460 -0.111 0.000 1.287 383 Y HN 0.625 nan 8.280 nan 0.000 0.447 384 E N 4.471 124.417 120.200 -0.423 0.000 2.317 384 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 384 E C -1.444 174.792 176.600 -0.607 0.000 0.885 384 E CA -0.778 55.387 56.400 -0.391 0.000 0.760 384 E CB 2.758 32.464 29.700 0.010 0.000 1.227 384 E HN 0.779 nan 8.360 nan 0.000 0.434 385 E N 0.348 120.295 120.200 -0.423 0.000 2.412 385 E HA 0.704 5.054 4.350 -0.000 0.000 0.279 385 E C -1.214 175.338 176.600 -0.080 0.000 0.984 385 E CA -1.105 55.149 56.400 -0.244 0.000 0.788 385 E CB 2.294 31.828 29.700 -0.277 0.000 1.277 385 E HN 0.100 nan 8.360 nan 0.000 0.455 386 K N 1.225 121.628 120.400 0.004 0.000 2.581 386 K HA 0.307 4.627 4.320 -0.000 0.000 0.249 386 K C -1.816 174.748 176.600 -0.061 0.000 0.966 386 K CA -0.567 55.663 56.287 -0.095 0.000 0.811 386 K CB 1.525 33.933 32.500 -0.153 0.000 1.223 386 K HN 0.524 nan 8.250 nan 0.000 0.438 387 N N 4.211 122.838 118.700 -0.121 0.000 2.437 387 N HA 0.119 4.859 4.740 -0.000 0.000 0.243 387 N C -0.247 175.202 175.510 -0.101 0.000 1.041 387 N CA -0.337 52.702 53.050 -0.019 0.000 0.940 387 N CB 0.270 38.755 38.487 -0.003 0.000 1.133 387 N HN 0.681 nan 8.380 nan 0.000 0.506 388 W N 2.183 123.519 121.300 0.060 0.000 2.699 388 W HA 0.044 4.704 4.660 -0.000 0.000 0.249 388 W C 1.923 178.456 176.519 0.023 0.000 1.280 388 W CA -0.099 57.276 57.345 0.049 0.000 1.345 388 W CB -0.148 29.355 29.460 0.072 0.000 1.128 388 W HN 0.583 nan 8.180 nan 0.000 0.642 389 C N 0.426 119.827 119.300 0.168 0.000 2.432 389 C HA -0.144 4.316 4.460 -0.000 0.000 0.282 389 C C 2.323 177.338 174.990 0.041 0.000 1.388 389 C CA 1.363 60.439 59.018 0.096 0.000 1.777 389 C CB -1.449 26.332 27.740 0.067 0.000 1.882 389 C HN 0.492 nan 8.230 nan 0.000 0.520 390 E N 0.712 120.913 120.200 0.002 0.000 2.489 390 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 390 E C -0.085 176.482 176.600 -0.055 0.000 1.057 390 E CA 0.318 56.695 56.400 -0.038 0.000 0.866 390 E CB -0.164 29.499 29.700 -0.063 0.000 0.916 390 E HN 0.494 nan 8.360 nan 0.000 0.500 391 E N 2.208 122.394 120.200 -0.024 0.000 2.129 391 E HA -0.017 4.333 4.350 -0.000 0.000 0.283 391 E C 0.470 177.047 176.600 -0.038 0.000 1.080 391 E CA 0.018 56.407 56.400 -0.018 0.000 0.867 391 E CB 1.511 31.257 29.700 0.076 0.000 1.056 391 E HN 0.354 nan 8.360 nan 0.000 0.404 392 Q N 2.994 122.704 119.800 -0.150 0.000 2.135 392 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 392 Q C 0.385 176.145 176.000 -0.401 0.000 0.981 392 Q CA 1.596 57.192 55.803 -0.346 0.000 0.856 392 Q CB 0.098 28.485 28.738 -0.584 0.000 0.902 392 Q HN 0.603 nan 8.270 nan 0.000 0.425 393 Y N -0.967 119.361 120.300 0.047 0.000 2.493 393 Y HA 0.241 4.791 4.550 -0.000 0.000 0.275 393 Y C 1.517 177.477 175.900 0.100 0.000 1.183 393 Y CA -0.266 57.871 58.100 0.063 0.000 1.258 393 Y CB 0.893 39.382 38.460 0.049 0.000 1.108 393 Y HN 0.080 nan 8.280 nan 0.000 0.521 394 S N -1.649 114.175 115.700 0.208 0.000 2.931 394 S HA 0.280 4.750 4.470 -0.000 0.000 0.251 394 S C 1.844 176.526 174.600 0.137 0.000 1.078 394 S CA 0.542 58.871 58.200 0.215 0.000 0.835 394 S CB 0.616 64.025 63.200 0.348 0.000 0.798 394 S HN 0.528 nan 8.310 nan 0.000 0.495 395 G N 1.073 109.934 108.800 0.102 0.000 2.225 395 G HA2 0.085 4.045 3.960 -0.000 0.000 0.254 395 G HA3 0.085 4.045 3.960 -0.000 0.000 0.254 395 G C 0.496 175.438 174.900 0.070 0.000 0.988 395 G CA 0.085 45.215 45.100 0.049 0.000 0.625 395 G HN 1.383 nan 8.290 nan 0.000 0.527 396 G N -2.368 106.513 108.800 0.136 0.000 2.350 396 G HA2 0.513 4.472 3.960 -0.000 0.000 0.282 396 G HA3 0.513 4.472 3.960 -0.000 0.000 0.282 396 G C -0.967 174.009 174.900 0.126 0.000 1.314 396 G CA 0.299 45.485 45.100 0.143 0.000 0.915 396 G HN 1.485 nan 8.290 nan 0.000 0.499 397 C N -1.595 117.724 119.300 0.031 0.000 3.285 397 C HA 0.598 5.058 4.460 -0.000 0.000 0.325 397 C C 0.783 175.590 174.990 -0.305 0.000 1.304 397 C CA -0.637 58.318 59.018 -0.106 0.000 1.319 397 C CB 0.790 28.367 27.740 -0.272 0.000 1.640 397 C HN 0.736 nan 8.230 nan 0.000 0.477 398 Y N 0.607 120.847 120.300 -0.101 0.000 2.337 398 Y HA 0.231 4.781 4.550 -0.000 0.000 0.293 398 Y C 1.560 177.435 175.900 -0.042 0.000 1.123 398 Y CA 1.100 59.112 58.100 -0.147 0.000 1.201 398 Y CB -0.335 38.013 38.460 -0.186 0.000 1.011 398 Y HN 0.676 nan 8.280 nan 0.000 0.545 399 T N -1.884 112.761 114.554 0.152 0.000 2.665 399 T HA 0.332 4.682 4.350 -0.000 0.000 0.303 399 T C -0.847 173.966 174.700 0.187 0.000 1.334 399 T CA -0.722 61.511 62.100 0.222 0.000 1.011 399 T CB 1.067 70.168 68.868 0.387 0.000 1.573 399 T HN -0.155 nan 8.240 nan 0.000 0.492 400 T N 2.684 117.363 114.554 0.209 0.000 2.851 400 T HA 0.481 4.831 4.350 -0.000 0.000 0.298 400 T C -0.799 173.929 174.700 0.047 0.000 0.977 400 T CA 0.039 62.163 62.100 0.040 0.000 1.126 400 T CB -0.384 68.497 68.868 0.021 0.000 0.916 400 T HN 0.464 nan 8.240 nan 0.000 0.529 401 Y N 0.996 121.086 120.300 -0.349 0.000 2.528 401 Y HA 0.794 5.344 4.550 -0.000 0.000 0.335 401 Y C -1.274 174.063 175.900 -0.939 0.000 1.093 401 Y CA -2.244 55.288 58.100 -0.947 0.000 1.134 401 Y CB 0.786 38.822 38.460 -0.707 0.000 1.253 401 Y HN 0.405 nan 8.280 nan 0.000 0.478 402 F N 3.256 122.459 119.950 -1.244 0.000 2.402 402 F HA 0.565 5.092 4.527 -0.000 0.000 0.355 402 F C -2.313 173.391 175.800 -0.161 0.000 1.123 402 F CA -2.710 54.928 58.000 -0.603 0.000 1.021 402 F CB 1.521 40.219 39.000 -0.503 0.000 1.160 402 F HN 0.363 nan 8.300 nan 0.000 0.451 403 P HA 0.107 nan 4.420 nan 0.000 0.273 403 P C -2.548 174.857 177.300 0.174 0.000 1.250 403 P CA -1.138 62.048 63.100 0.143 0.000 0.793 403 P CB -0.156 31.578 31.700 0.058 0.000 1.011 404 P HA -0.029 nan 4.420 nan 0.000 0.264 404 P C 0.881 178.277 177.300 0.160 0.000 1.193 404 P CA 1.241 64.447 63.100 0.177 0.000 0.763 404 P CB -0.075 31.712 31.700 0.144 0.000 0.810 405 G N 2.909 111.817 108.800 0.181 0.000 2.217 405 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 405 G C 0.785 175.805 174.900 0.200 0.000 0.990 405 G CA 0.065 45.262 45.100 0.162 0.000 0.627 405 G HN 0.431 nan 8.290 nan 0.000 0.522 406 I N 0.112 120.833 120.570 0.252 0.000 2.400 406 I HA 0.166 4.336 4.170 -0.000 0.000 0.248 406 I C 2.619 178.986 176.117 0.417 0.000 1.109 406 I CA 1.218 62.725 61.300 0.345 0.000 1.425 406 I CB -1.182 36.948 38.000 0.216 0.000 1.094 406 I HN 0.267 nan 8.210 nan 0.000 0.425 407 L N 1.196 122.643 121.223 0.374 0.000 2.046 407 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 407 L C 2.661 179.603 176.870 0.121 0.000 1.077 407 L CA 2.534 57.456 54.840 0.136 0.000 0.747 407 L CB -0.979 41.066 42.059 -0.024 0.000 0.896 407 L HN 0.433 nan 8.230 nan 0.000 0.432 408 T N -4.181 110.458 114.554 0.142 0.000 2.821 408 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 408 T C 1.814 176.481 174.700 -0.054 0.000 1.046 408 T CA 1.012 63.167 62.100 0.092 0.000 1.139 408 T CB -0.361 68.567 68.868 0.099 0.000 0.871 408 T HN 0.352 nan 8.240 nan 0.000 0.454 409 Q N -0.116 119.652 119.800 -0.055 0.000 2.212 409 Q HA 0.105 4.445 4.340 -0.000 0.000 0.199 409 Q C 1.145 176.827 176.000 -0.531 0.000 0.950 409 Q CA 1.179 56.806 55.803 -0.295 0.000 0.863 409 Q CB -0.004 28.550 28.738 -0.307 0.000 0.944 409 Q HN 0.781 nan 8.270 nan 0.000 0.465 410 Y N -1.833 118.406 120.300 -0.102 0.000 2.432 410 Y HA 0.260 4.810 4.550 -0.000 0.000 0.252 410 Y C 2.029 177.813 175.900 -0.193 0.000 1.097 410 Y CA 0.093 58.117 58.100 -0.127 0.000 1.250 410 Y CB 0.221 38.650 38.460 -0.052 0.000 1.245 410 Y HN 0.080 nan 8.280 nan 0.000 0.522 411 G N 1.683 110.405 108.800 -0.131 0.000 2.442 411 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 411 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 411 G C 1.753 176.208 174.900 -0.742 0.000 1.141 411 G CA 1.154 46.084 45.100 -0.284 0.000 0.763 411 G HN 0.405 nan 8.290 nan 0.000 0.554 412 R N 0.008 119.762 120.500 -1.243 0.000 2.241 412 R HA 0.085 4.425 4.340 -0.000 0.000 0.224 412 R C 1.816 177.866 176.300 -0.417 0.000 1.101 412 R CA 1.154 56.565 56.100 -1.148 0.000 0.995 412 R CB -0.655 29.020 30.300 -1.041 0.000 0.870 412 R HN 0.253 nan 8.270 nan 0.000 0.463 413 V N 1.128 120.864 119.914 -0.297 0.000 3.608 413 V HA -0.028 4.092 4.120 -0.000 0.000 0.269 413 V C 1.948 177.941 176.094 -0.168 0.000 1.245 413 V CA 0.268 62.461 62.300 -0.178 0.000 1.138 413 V CB -0.096 31.641 31.823 -0.144 0.000 0.841 413 V HN 0.216 nan 8.190 nan 0.000 0.451 414 L N 1.205 122.363 121.223 -0.107 0.000 2.043 414 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 414 L C 2.378 179.192 176.870 -0.094 0.000 1.075 414 L CA 2.384 57.182 54.840 -0.069 0.000 0.752 414 L CB -0.232 41.887 42.059 0.100 0.000 0.891 414 L HN 0.503 nan 8.230 nan 0.000 0.432 415 R N -1.152 119.386 120.500 0.063 0.000 2.577 415 R HA 0.179 4.519 4.340 -0.000 0.000 0.344 415 R C 0.389 176.837 176.300 0.247 0.000 1.037 415 R CA -0.275 55.951 56.100 0.210 0.000 1.102 415 R CB -0.272 30.218 30.300 0.317 0.000 1.313 415 R HN 0.249 nan 8.270 nan 0.000 0.561 416 Q N 2.642 122.508 119.800 0.111 0.000 2.286 416 Q HA 0.221 4.561 4.340 -0.000 0.000 0.267 416 Q C -2.106 174.012 176.000 0.196 0.000 1.028 416 Q CA -2.106 53.767 55.803 0.116 0.000 0.901 416 Q CB 0.897 29.646 28.738 0.018 0.000 1.183 416 Q HN 0.037 nan 8.270 nan 0.000 0.392 417 P HA -0.057 nan 4.420 nan 0.000 0.267 417 P C -1.256 176.042 177.300 -0.003 0.000 1.200 417 P CA -0.029 63.019 63.100 -0.088 0.000 0.772 417 P CB 0.633 32.025 31.700 -0.514 0.000 0.855 418 V N 3.362 123.281 119.914 0.007 0.000 2.275 418 V HA 0.151 4.271 4.120 -0.000 0.000 0.272 418 V C 0.692 176.747 176.094 -0.065 0.000 1.028 418 V CA 0.111 62.415 62.300 0.007 0.000 0.810 418 V CB 0.060 31.931 31.823 0.080 0.000 1.043 418 V HN 0.775 nan 8.190 nan 0.000 0.453 419 D N 4.022 124.387 120.400 -0.059 0.000 4.372 419 D HA -0.302 4.338 4.640 -0.000 0.000 0.169 419 D C 1.348 177.626 176.300 -0.036 0.000 0.680 419 D CA 2.395 56.378 54.000 -0.028 0.000 1.152 419 D CB -0.258 40.540 40.800 -0.004 0.000 0.585 419 D HN 0.569 nan 8.370 nan 0.000 0.493 420 R N -0.120 120.386 120.500 0.010 0.000 2.468 420 R HA 0.450 4.790 4.340 -0.000 0.000 0.280 420 R C -0.200 176.193 176.300 0.155 0.000 0.963 420 R CA -0.155 56.049 56.100 0.174 0.000 1.083 420 R CB 0.485 30.835 30.300 0.082 0.000 1.200 420 R HN 0.286 nan 8.270 nan 0.000 0.541 421 I N 1.261 121.765 120.570 -0.109 0.000 2.315 421 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 421 I C -0.590 175.167 176.117 -0.601 0.000 1.006 421 I CA -0.647 60.509 61.300 -0.240 0.000 1.265 421 I CB 0.686 38.523 38.000 -0.272 0.000 1.387 421 I HN -0.080 nan 8.210 nan 0.000 0.475 422 Y N 5.288 125.348 120.300 -0.401 0.000 2.528 422 Y HA 0.538 5.088 4.550 -0.000 0.000 0.335 422 Y C -0.528 175.039 175.900 -0.555 0.000 1.093 422 Y CA -0.697 57.199 58.100 -0.340 0.000 1.134 422 Y CB 1.563 39.945 38.460 -0.130 0.000 1.253 422 Y HN 0.283 nan 8.280 nan 0.000 0.478 423 F N 1.283 121.344 119.950 0.185 0.000 2.427 423 F HA 0.703 5.230 4.527 -0.000 0.000 0.348 423 F C 0.409 176.290 175.800 0.135 0.000 1.125 423 F CA -0.595 57.487 58.000 0.138 0.000 0.989 423 F CB 1.059 40.125 39.000 0.109 0.000 1.165 423 F HN 0.597 nan 8.300 nan 0.000 0.442 424 A N 2.311 125.279 122.820 0.247 0.000 3.322 424 A HA 0.950 5.270 4.320 -0.000 0.000 0.201 424 A C 0.401 178.118 177.584 0.221 0.000 1.668 424 A CA -0.376 51.773 52.037 0.187 0.000 0.861 424 A CB -0.052 19.015 19.000 0.112 0.000 1.769 424 A HN 1.485 nan 8.150 nan 0.000 0.578 425 G N -2.541 106.368 108.800 0.181 0.000 2.785 425 G HA2 0.090 4.050 3.960 -0.000 0.000 0.686 425 G HA3 0.090 4.050 3.960 -0.000 0.000 0.686 425 G C 0.422 175.456 174.900 0.222 0.000 1.155 425 G CA 0.608 45.824 45.100 0.193 0.000 0.760 425 G HN 1.544 nan 8.290 nan 0.000 0.624 426 T N 0.263 114.950 114.554 0.221 0.000 2.803 426 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 426 T C 2.115 177.019 174.700 0.339 0.000 1.052 426 T CA 2.685 64.942 62.100 0.262 0.000 1.136 426 T CB -0.176 68.843 68.868 0.251 0.000 0.864 426 T HN 0.627 nan 8.240 nan 0.000 0.467 427 E N 0.484 120.891 120.200 0.345 0.000 2.267 427 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 427 E C 2.225 179.086 176.600 0.436 0.000 0.998 427 E CA 1.557 58.214 56.400 0.428 0.000 0.830 427 E CB -0.200 29.716 29.700 0.360 0.000 0.751 427 E HN 0.721 nan 8.360 nan 0.000 0.491 428 T N -2.636 112.137 114.554 0.365 0.000 3.086 428 T HA 0.451 4.801 4.350 -0.000 0.000 0.250 428 T C 0.803 175.745 174.700 0.403 0.000 1.074 428 T CA 0.017 62.334 62.100 0.363 0.000 0.988 428 T CB 0.191 69.250 68.868 0.319 0.000 0.988 428 T HN 0.099 nan 8.240 nan 0.000 0.530 429 A N 1.779 124.839 122.820 0.401 0.000 2.346 429 A HA 0.525 4.845 4.320 -0.000 0.000 0.252 429 A C 1.542 179.393 177.584 0.446 0.000 1.089 429 A CA 0.151 52.426 52.037 0.396 0.000 0.797 429 A CB 0.300 19.494 19.000 0.322 0.000 1.047 429 A HN 0.512 nan 8.150 nan 0.000 0.494 430 T N -2.402 112.392 114.554 0.400 0.000 3.023 430 T HA 0.230 4.580 4.350 -0.000 0.000 0.253 430 T C 0.288 175.090 174.700 0.170 0.000 1.038 430 T CA 0.737 63.023 62.100 0.310 0.000 0.962 430 T CB -0.376 68.603 68.868 0.186 0.000 1.018 430 T HN 0.757 nan 8.240 nan 0.000 0.521 431 H N -1.177 117.917 119.070 0.040 0.000 2.934 431 H HA 0.292 4.848 4.556 -0.000 0.000 0.340 431 H C -0.994 174.336 175.328 0.004 0.000 1.008 431 H CA -1.203 54.782 56.048 -0.105 0.000 1.317 431 H CB 0.948 30.707 29.762 -0.005 0.000 1.670 431 H HN 0.296 nan 8.280 nan 0.000 0.516 432 W N 2.194 123.284 121.300 -0.349 0.000 5.121 432 W HA -0.254 4.406 4.660 0.000 0.000 0.372 432 W C 0.455 176.901 176.519 -0.122 0.000 1.394 432 W CA 0.919 57.978 57.345 -0.477 0.000 0.885 432 W CB -1.642 27.448 29.460 -0.616 0.000 2.520 432 W HN 0.396 nan 8.180 nan 0.000 1.455 433 S N 0.528 116.266 115.700 0.063 0.000 2.552 433 S HA 0.382 4.852 4.470 -0.000 0.000 0.289 433 S C 1.393 176.219 174.600 0.377 0.000 1.304 433 S CA 1.707 60.064 58.200 0.263 0.000 1.063 433 S CB 0.806 64.233 63.200 0.378 0.000 0.848 433 S HN 1.396 nan 8.310 nan 0.000 0.499 434 G N 3.066 112.159 108.800 0.489 0.000 2.232 434 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.226 434 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.226 434 G C -0.218 174.825 174.900 0.239 0.000 0.996 434 G CA 0.204 45.603 45.100 0.498 0.000 0.626 434 G HN 0.682 nan 8.290 nan 0.000 0.509 435 Y N -0.358 120.051 120.300 0.182 0.000 2.602 435 Y HA 0.717 5.267 4.550 -0.000 0.000 0.330 435 Y C 1.981 177.919 175.900 0.064 0.000 1.114 435 Y CA -0.771 57.385 58.100 0.092 0.000 1.182 435 Y CB 0.861 39.361 38.460 0.067 0.000 1.305 435 Y HN -0.024 nan 8.280 nan 0.000 0.502 436 M N -0.148 119.555 119.600 0.172 0.000 2.149 436 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 436 M C 1.823 178.183 176.300 0.101 0.000 1.064 436 M CA 1.939 57.308 55.300 0.114 0.000 1.102 436 M CB -0.236 32.425 32.600 0.101 0.000 1.369 436 M HN 0.776 nan 8.290 nan 0.000 0.408 437 E N 0.797 121.034 120.200 0.062 0.000 2.038 437 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 437 E C 1.975 178.633 176.600 0.096 0.000 1.000 437 E CA 2.126 58.523 56.400 -0.005 0.000 0.803 437 E CB -0.744 28.816 29.700 -0.233 0.000 0.750 437 E HN 0.420 nan 8.360 nan 0.000 0.448 438 G N 0.139 109.049 108.800 0.184 0.000 2.442 438 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 438 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 438 G C 1.719 176.735 174.900 0.193 0.000 1.141 438 G CA 1.308 46.541 45.100 0.221 0.000 0.763 438 G HN 0.489 nan 8.290 nan 0.000 0.554 439 A N 0.209 123.130 122.820 0.169 0.000 1.883 439 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 439 A C 2.631 180.277 177.584 0.103 0.000 1.186 439 A CA 2.049 54.168 52.037 0.136 0.000 0.624 439 A CB -0.704 18.365 19.000 0.114 0.000 0.822 439 A HN 0.288 nan 8.150 nan 0.000 0.444 440 V N 0.086 120.051 119.914 0.085 0.000 2.295 440 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 440 V C 2.537 178.670 176.094 0.064 0.000 1.049 440 V CA 2.225 64.561 62.300 0.059 0.000 1.024 440 V CB -0.844 31.006 31.823 0.044 0.000 0.648 440 V HN 0.749 nan 8.190 nan 0.000 0.447 441 E N 0.503 120.761 120.200 0.096 0.000 2.070 441 E HA -0.296 4.054 4.350 -0.000 0.000 0.197 441 E C 2.205 178.850 176.600 0.074 0.000 1.004 441 E CA 1.866 58.334 56.400 0.112 0.000 0.805 441 E CB -0.196 29.619 29.700 0.190 0.000 0.744 441 E HN 0.555 nan 8.360 nan 0.000 0.451 442 A N 0.517 123.402 122.820 0.108 0.000 1.929 442 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 442 A C 2.386 179.993 177.584 0.039 0.000 1.176 442 A CA 1.543 53.636 52.037 0.093 0.000 0.628 442 A CB -0.879 18.224 19.000 0.171 0.000 0.816 442 A HN 0.447 nan 8.150 nan 0.000 0.444 443 G N -0.320 108.507 108.800 0.044 0.000 2.402 443 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 443 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 443 G C 1.434 176.320 174.900 -0.024 0.000 1.162 443 G CA 0.935 46.047 45.100 0.021 0.000 0.777 443 G HN 0.637 nan 8.290 nan 0.000 0.539 444 E N -0.185 119.996 120.200 -0.031 0.000 2.107 444 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 444 E C 2.574 179.096 176.600 -0.130 0.000 0.982 444 E CA 0.230 56.593 56.400 -0.061 0.000 0.809 444 E CB -0.109 29.570 29.700 -0.034 0.000 0.756 444 E HN 0.184 nan 8.360 nan 0.000 0.459 445 R N 1.321 121.707 120.500 -0.191 0.000 2.073 445 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 445 R C 2.131 178.247 176.300 -0.307 0.000 1.134 445 R CA 1.551 57.418 56.100 -0.388 0.000 0.952 445 R CB -0.399 29.481 30.300 -0.700 0.000 0.850 445 R HN 0.155 nan 8.270 nan 0.000 0.433 446 A N 0.856 123.572 122.820 -0.173 0.000 1.902 446 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 446 A C 2.444 179.917 177.584 -0.185 0.000 1.181 446 A CA 1.957 53.933 52.037 -0.102 0.000 0.623 446 A CB -0.789 18.213 19.000 0.003 0.000 0.818 446 A HN 0.519 nan 8.150 nan 0.000 0.443 447 A N -0.145 122.583 122.820 -0.154 0.000 1.883 447 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 447 A C 2.253 179.708 177.584 -0.215 0.000 1.186 447 A CA 1.667 53.605 52.037 -0.166 0.000 0.624 447 A CB -0.490 18.448 19.000 -0.103 0.000 0.822 447 A HN 0.560 nan 8.150 nan 0.000 0.444 448 R N -0.527 119.854 120.500 -0.199 0.000 2.148 448 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 448 R C 2.017 178.191 176.300 -0.209 0.000 1.088 448 R CA 1.157 57.146 56.100 -0.184 0.000 0.985 448 R CB -0.253 29.950 30.300 -0.161 0.000 0.880 448 R HN 0.685 nan 8.270 nan 0.000 0.451 449 E N 0.756 120.790 120.200 -0.276 0.000 2.085 449 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 449 E C 1.945 178.226 176.600 -0.532 0.000 0.994 449 E CA 1.159 57.384 56.400 -0.292 0.000 0.801 449 E CB -0.090 29.471 29.700 -0.232 0.000 0.743 449 E HN 0.329 nan 8.360 nan 0.000 0.453 450 I N 0.899 121.014 120.570 -0.758 0.000 2.252 450 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 450 I C 2.316 178.098 176.117 -0.559 0.000 1.102 450 I CA 0.815 61.564 61.300 -0.920 0.000 1.385 450 I CB -0.142 37.363 38.000 -0.825 0.000 1.064 450 I HN 0.109 nan 8.210 nan 0.000 0.414 451 L N -0.065 120.961 121.223 -0.327 0.000 2.042 451 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 451 L C 2.734 179.529 176.870 -0.124 0.000 1.076 451 L CA 1.681 56.410 54.840 -0.184 0.000 0.749 451 L CB -0.916 41.074 42.059 -0.116 0.000 0.893 451 L HN 0.361 nan 8.230 nan 0.000 0.432 452 H N 0.093 119.048 119.070 -0.191 0.000 2.353 452 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 452 H C 2.122 177.386 175.328 -0.106 0.000 1.090 452 H CA 1.481 57.459 56.048 -0.117 0.000 1.327 452 H CB 0.021 29.733 29.762 -0.085 0.000 1.383 452 H HN 0.262 nan 8.280 nan 0.000 0.508 453 A N 0.494 123.140 122.820 -0.290 0.000 1.978 453 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 453 A C 2.269 179.755 177.584 -0.162 0.000 1.170 453 A CA 1.848 53.733 52.037 -0.254 0.000 0.636 453 A CB -0.649 18.182 19.000 -0.282 0.000 0.810 453 A HN 0.572 nan 8.150 nan 0.000 0.448 454 M N -1.263 118.228 119.600 -0.183 0.000 2.618 454 M HA 0.161 4.641 4.480 -0.000 0.000 0.240 454 M C 1.314 177.575 176.300 -0.066 0.000 1.123 454 M CA 0.711 55.978 55.300 -0.055 0.000 1.060 454 M CB 0.112 32.686 32.600 -0.043 0.000 1.535 454 M HN 0.608 nan 8.290 nan 0.000 0.507 455 G N 1.262 109.984 108.800 -0.130 0.000 2.153 455 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.252 455 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.252 455 G C 0.855 175.728 174.900 -0.044 0.000 0.994 455 G CA 0.605 45.645 45.100 -0.100 0.000 0.698 455 G HN 0.486 nan 8.290 nan 0.000 0.521 456 K N -0.570 119.805 120.400 -0.042 0.000 2.262 456 K HA 0.314 4.634 4.320 -0.000 0.000 0.200 456 K C 1.383 177.985 176.600 0.002 0.000 1.049 456 K CA 1.271 57.546 56.287 -0.021 0.000 0.979 456 K CB 0.265 32.745 32.500 -0.034 0.000 0.773 456 K HN 0.805 nan 8.250 nan 0.000 0.474 457 I N -1.698 118.890 120.570 0.030 0.000 2.828 457 I HA 0.460 4.630 4.170 -0.000 0.000 0.302 457 I C -2.953 173.256 176.117 0.153 0.000 1.101 457 I CA -3.053 58.282 61.300 0.059 0.000 1.031 457 I CB 2.311 40.328 38.000 0.029 0.000 1.231 457 I HN -0.249 nan 8.210 nan 0.000 0.427 458 P HA 0.081 nan 4.420 nan 0.000 0.274 458 P C 0.253 177.559 177.300 0.011 0.000 1.246 458 P CA -0.023 63.154 63.100 0.129 0.000 0.795 458 P CB 1.027 32.764 31.700 0.062 0.000 1.006 459 E N 1.007 121.113 120.200 -0.158 0.000 2.130 459 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 459 E C 1.003 177.502 176.600 -0.169 0.000 0.998 459 E CA 1.677 57.786 56.400 -0.484 0.000 0.806 459 E CB -0.152 29.353 29.700 -0.324 0.000 0.738 459 E HN 0.506 nan 8.360 nan 0.000 0.459 460 D N -0.272 120.097 120.400 -0.052 0.000 2.378 460 D HA -0.129 4.511 4.640 -0.000 0.000 0.227 460 D C 0.853 177.172 176.300 0.032 0.000 1.012 460 D CA 0.533 54.541 54.000 0.012 0.000 0.905 460 D CB -0.196 40.615 40.800 0.018 0.000 0.895 460 D HN 0.291 nan 8.370 nan 0.000 0.532 461 E N -0.391 119.810 120.200 0.003 0.000 2.481 461 E HA 0.193 4.543 4.350 -0.000 0.000 0.198 461 E C 1.880 178.470 176.600 -0.017 0.000 1.027 461 E CA -0.291 56.115 56.400 0.009 0.000 0.900 461 E CB 0.405 30.107 29.700 0.004 0.000 0.993 461 E HN 0.289 nan 8.360 nan 0.000 0.482 462 I N 0.072 120.617 120.570 -0.042 0.000 2.179 462 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 462 I C 0.476 176.450 176.117 -0.238 0.000 1.088 462 I CA 1.194 62.402 61.300 -0.154 0.000 1.357 462 I CB 0.056 37.958 38.000 -0.164 0.000 1.051 462 I HN 0.094 nan 8.210 nan 0.000 0.409 463 W N 1.315 122.611 121.300 -0.006 0.000 2.391 463 W HA 0.519 5.179 4.660 -0.000 0.000 0.311 463 W C 0.048 176.573 176.519 0.010 0.000 1.087 463 W CA -0.232 57.121 57.345 0.014 0.000 1.209 463 W CB 0.677 30.148 29.460 0.019 0.000 1.273 463 W HN -0.056 nan 8.180 nan 0.000 0.482 464 Q N 2.404 122.328 119.800 0.206 0.000 2.321 464 Q HA 0.397 4.737 4.340 -0.000 0.000 0.270 464 Q C 0.112 176.190 176.000 0.131 0.000 1.032 464 Q CA -0.538 55.341 55.803 0.126 0.000 0.784 464 Q CB 1.685 30.460 28.738 0.062 0.000 1.264 464 Q HN 0.555 nan 8.270 nan 0.000 0.448 465 S N 2.289 118.050 115.700 0.103 0.000 2.589 465 S HA 0.255 4.725 4.470 -0.000 0.000 0.265 465 S C -0.169 174.477 174.600 0.077 0.000 1.342 465 S CA -0.512 57.741 58.200 0.089 0.000 1.005 465 S CB 1.240 64.476 63.200 0.060 0.000 0.909 465 S HN 0.650 nan 8.310 nan 0.000 0.555 466 E N 0.946 121.194 120.200 0.079 0.000 2.224 466 E HA 0.567 4.917 4.350 -0.000 0.000 0.265 466 E C -2.810 173.823 176.600 0.055 0.000 0.878 466 E CA -2.146 54.295 56.400 0.068 0.000 0.759 466 E CB 1.033 30.782 29.700 0.081 0.000 1.164 466 E HN 0.536 nan 8.360 nan 0.000 0.414 467 P HA 0.061 nan 4.420 nan 0.000 0.269 467 P C -0.753 176.567 177.300 0.033 0.000 1.209 467 P CA -0.170 62.950 63.100 0.033 0.000 0.776 467 P CB 0.513 32.228 31.700 0.025 0.000 0.876 468 E N 1.552 121.770 120.200 0.030 0.000 2.384 468 E HA 0.087 4.437 4.350 -0.000 0.000 0.266 468 E C -0.105 176.506 176.600 0.019 0.000 1.012 468 E CA -0.313 56.103 56.400 0.027 0.000 0.901 468 E CB 0.414 30.128 29.700 0.024 0.000 0.967 468 E HN 0.382 nan 8.360 nan 0.000 0.435 469 S N 2.972 118.680 115.700 0.013 0.000 2.546 469 S HA -0.049 4.421 4.470 -0.000 0.000 0.290 469 S C 1.192 175.796 174.600 0.007 0.000 1.290 469 S CA -0.101 58.104 58.200 0.008 0.000 1.069 469 S CB 0.812 64.011 63.200 -0.002 0.000 0.846 469 S HN 0.532 nan 8.310 nan 0.000 0.495 470 V N 1.910 121.830 119.914 0.010 0.000 2.871 470 V HA 0.055 4.175 4.120 -0.000 0.000 0.256 470 V C 1.444 177.542 176.094 0.007 0.000 1.082 470 V CA 1.495 63.801 62.300 0.009 0.000 1.105 470 V CB -0.563 31.266 31.823 0.011 0.000 0.713 470 V HN 0.812 nan 8.190 nan 0.000 0.473 471 D N 0.938 121.342 120.400 0.007 0.000 2.271 471 D HA 0.109 4.749 4.640 -0.000 0.000 0.206 471 D C 0.788 177.085 176.300 -0.006 0.000 0.967 471 D CA 1.044 55.047 54.000 0.006 0.000 0.867 471 D CB 0.866 41.674 40.800 0.014 0.000 0.960 471 D HN 0.520 nan 8.370 nan 0.000 0.509 472 V N 3.580 123.486 119.914 -0.014 0.000 2.384 472 V HA 0.197 4.317 4.120 -0.000 0.000 0.257 472 V C -2.414 173.666 176.094 -0.023 0.000 0.969 472 V CA -1.293 60.988 62.300 -0.031 0.000 0.910 472 V CB 1.218 33.004 31.823 -0.061 0.000 1.150 472 V HN -0.055 nan 8.190 nan 0.000 0.481 473 P HA 0.360 nan 4.420 nan 0.000 0.274 473 P C -0.364 176.934 177.300 -0.004 0.000 1.231 473 P CA 0.067 63.165 63.100 -0.003 0.000 0.790 473 P CB 1.542 33.242 31.700 0.001 0.000 0.951 474 A N 3.101 125.925 122.820 0.006 0.000 2.260 474 A HA 0.327 4.647 4.320 -0.000 0.000 0.308 474 A C 0.231 177.821 177.584 0.010 0.000 1.254 474 A CA -0.525 51.519 52.037 0.011 0.000 0.874 474 A CB 0.205 19.223 19.000 0.029 0.000 1.153 474 A HN 0.428 nan 8.150 nan 0.000 0.527 475 Q N 2.769 122.573 119.800 0.007 0.000 2.293 475 Q HA 0.341 4.681 4.340 -0.000 0.000 0.251 475 Q C -2.269 173.736 176.000 0.008 0.000 0.930 475 Q CA -1.806 54.001 55.803 0.007 0.000 0.893 475 Q CB 0.766 29.508 28.738 0.006 0.000 1.215 475 Q HN 0.561 nan 8.270 nan 0.000 0.425 476 P HA 0.154 nan 4.420 nan 0.000 0.272 476 P C -0.310 176.991 177.300 0.002 0.000 1.230 476 P CA -0.322 62.779 63.100 0.001 0.000 0.788 476 P CB 0.737 32.436 31.700 -0.002 0.000 0.949 477 I N 1.987 122.554 120.570 -0.005 0.000 2.352 477 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 477 I C 1.177 177.290 176.117 -0.007 0.000 1.036 477 I CA 0.143 61.441 61.300 -0.003 0.000 1.336 477 I CB 0.065 38.057 38.000 -0.014 0.000 1.407 477 I HN 0.403 nan 8.210 nan 0.000 0.497 478 T N 2.054 116.610 114.554 0.004 0.000 2.918 478 T HA 0.798 5.148 4.350 -0.000 0.000 0.286 478 T C 0.008 174.704 174.700 -0.008 0.000 1.026 478 T CA -0.699 61.401 62.100 -0.000 0.000 1.031 478 T CB 2.120 70.995 68.868 0.011 0.000 1.046 478 T HN 0.644 nan 8.240 nan 0.000 0.479 479 T N -1.111 113.432 114.554 -0.019 0.000 2.893 479 T HA 0.701 5.051 4.350 -0.000 0.000 0.291 479 T C 0.292 174.988 174.700 -0.007 0.000 1.028 479 T CA -0.745 61.332 62.100 -0.037 0.000 0.995 479 T CB 1.343 70.162 68.868 -0.081 0.000 1.051 479 T HN 1.006 nan 8.240 nan 0.000 0.470 480 T N -0.045 114.510 114.554 0.000 0.000 2.874 480 T HA 0.387 4.737 4.350 -0.000 0.000 0.281 480 T C 0.880 175.630 174.700 0.083 0.000 0.994 480 T CA -0.836 61.300 62.100 0.060 0.000 1.015 480 T CB 0.581 69.490 68.868 0.069 0.000 1.028 480 T HN 0.544 nan 8.240 nan 0.000 0.523 481 F N 0.848 120.816 119.950 0.030 0.000 2.095 481 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 481 F C 1.926 177.788 175.800 0.103 0.000 1.104 481 F CA 1.451 59.506 58.000 0.092 0.000 1.232 481 F CB -0.466 38.593 39.000 0.098 0.000 0.987 481 F HN 0.503 nan 8.300 nan 0.000 0.475 482 L N -0.031 121.297 121.223 0.174 0.000 2.056 482 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 482 L C 2.381 179.236 176.870 -0.025 0.000 1.078 482 L CA 1.602 56.490 54.840 0.080 0.000 0.749 482 L CB -0.760 41.387 42.059 0.147 0.000 0.901 482 L HN 0.159 nan 8.230 nan 0.000 0.433 483 E N -0.134 120.045 120.200 -0.035 0.000 2.085 483 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 483 E C 2.362 178.841 176.600 -0.201 0.000 0.994 483 E CA 1.078 57.417 56.400 -0.101 0.000 0.801 483 E CB -0.009 29.628 29.700 -0.105 0.000 0.743 483 E HN 0.381 nan 8.360 nan 0.000 0.453 484 R N -0.470 119.847 120.500 -0.306 0.000 2.092 484 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 484 R C 1.767 177.674 176.300 -0.656 0.000 1.119 484 R CA 1.057 56.838 56.100 -0.531 0.000 0.970 484 R CB 0.046 29.910 30.300 -0.727 0.000 0.864 484 R HN 0.305 nan 8.270 nan 0.000 0.440 485 H N -0.913 117.954 119.070 -0.338 0.000 2.874 485 H HA 0.202 4.758 4.556 -0.000 0.000 0.264 485 H C 0.346 175.557 175.328 -0.195 0.000 1.007 485 H CA -0.196 55.653 56.048 -0.331 0.000 1.207 485 H CB 0.457 29.866 29.762 -0.588 0.000 1.487 485 H HN 0.022 nan 8.280 nan 0.000 0.505 486 L N 4.652 125.841 121.223 -0.057 0.000 2.525 486 L HA 0.036 4.376 4.340 -0.000 0.000 0.278 486 L C -1.664 175.182 176.870 -0.041 0.000 1.218 486 L CA -1.325 53.508 54.840 -0.013 0.000 0.878 486 L CB 0.293 42.375 42.059 0.039 0.000 1.127 486 L HN -0.012 nan 8.230 nan 0.000 0.492 487 P HA 0.102 nan 4.420 nan 0.000 0.274 487 P C -0.565 176.682 177.300 -0.088 0.000 1.237 487 P CA -0.573 62.490 63.100 -0.062 0.000 0.793 487 P CB 0.998 32.662 31.700 -0.060 0.000 0.977 488 S N 0.314 115.943 115.700 -0.118 0.000 2.617 488 S HA 0.080 4.550 4.470 -0.000 0.000 0.259 488 S C 1.518 175.976 174.600 -0.236 0.000 1.301 488 S CA -0.542 57.562 58.200 -0.161 0.000 0.984 488 S CB -0.324 62.778 63.200 -0.163 0.000 0.954 488 S HN 0.221 nan 8.310 nan 0.000 0.572 489 V N 2.329 122.037 119.914 -0.343 0.000 2.255 489 V HA -0.079 4.041 4.120 -0.000 0.000 0.247 489 V C -0.402 175.274 176.094 -0.697 0.000 1.051 489 V CA 1.973 63.983 62.300 -0.484 0.000 1.018 489 V CB -1.946 29.573 31.823 -0.507 0.000 0.641 489 V HN 0.809 nan 8.190 nan 0.000 0.445 490 P HA -0.109 nan 4.420 nan 0.000 0.218 490 P C 1.750 178.844 177.300 -0.343 0.000 1.149 490 P CA 1.968 64.620 63.100 -0.747 0.000 0.817 490 P CB -0.289 31.076 31.700 -0.559 0.000 0.785 491 G N 0.664 109.305 108.800 -0.265 0.000 2.418 491 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 491 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 491 G C 1.519 176.339 174.900 -0.133 0.000 1.158 491 G CA 0.595 45.603 45.100 -0.154 0.000 0.771 491 G HN 0.249 nan 8.290 nan 0.000 0.545 492 L N 0.374 121.503 121.223 -0.156 0.000 2.093 492 L HA 0.147 4.487 4.340 -0.000 0.000 0.208 492 L C 2.645 179.449 176.870 -0.110 0.000 1.085 492 L CA 1.248 56.020 54.840 -0.114 0.000 0.755 492 L CB -0.314 41.681 42.059 -0.107 0.000 0.904 492 L HN 0.199 nan 8.230 nan 0.000 0.435 493 L N -1.072 120.055 121.223 -0.159 0.000 2.141 493 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 493 L C 2.767 179.589 176.870 -0.080 0.000 1.094 493 L CA 0.914 55.680 54.840 -0.124 0.000 0.763 493 L CB -0.529 41.425 42.059 -0.175 0.000 0.908 493 L HN 0.232 nan 8.230 nan 0.000 0.437 494 R N -0.286 120.163 120.500 -0.085 0.000 2.073 494 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 494 R C 2.210 178.487 176.300 -0.038 0.000 1.134 494 R CA 1.232 57.301 56.100 -0.051 0.000 0.952 494 R CB -0.413 29.857 30.300 -0.050 0.000 0.850 494 R HN 0.192 nan 8.270 nan 0.000 0.433 495 L N 0.870 122.067 121.223 -0.043 0.000 2.131 495 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 495 L C 1.304 178.160 176.870 -0.025 0.000 1.092 495 L CA 1.386 56.208 54.840 -0.031 0.000 0.759 495 L CB -0.375 41.665 42.059 -0.031 0.000 0.903 495 L HN 0.079 nan 8.230 nan 0.000 0.435 496 I N 0.000 120.552 120.570 -0.029 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.288 61.300 -0.021 0.000 1.566 496 I CB 0.000 37.986 38.000 -0.023 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494