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 2c75_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 SGLMEGAVEA 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 0.000 175.509 175.510 -0.002 0.000 1.280 3 N CA 0.000 52.938 53.050 -0.187 0.000 0.885 3 N CB 0.000 38.404 38.487 -0.139 0.000 1.341 4 K N 0.670 121.083 120.400 0.023 0.000 2.185 4 K HA 0.630 4.950 4.320 -0.000 0.000 0.269 4 K C -0.717 175.921 176.600 0.064 0.000 0.987 4 K CA -0.633 55.680 56.287 0.042 0.000 0.865 4 K CB 1.885 34.395 32.500 0.016 0.000 1.090 4 K HN 0.562 nan 8.250 nan 0.000 0.450 5 C N -1.063 118.279 119.300 0.070 0.000 3.314 5 C HA 0.392 4.852 4.460 -0.000 0.000 0.344 5 C C 0.659 175.683 174.990 0.057 0.000 1.461 5 C CA -0.793 58.266 59.018 0.068 0.000 1.249 5 C CB 0.906 28.699 27.740 0.088 0.000 1.632 5 C HN 0.794 nan 8.230 nan 0.000 0.452 6 D N 0.287 120.724 120.400 0.061 0.000 2.110 6 D HA 0.128 4.767 4.640 -0.000 0.000 0.202 6 D C 0.346 176.708 176.300 0.104 0.000 0.975 6 D CA 1.729 55.773 54.000 0.075 0.000 0.839 6 D CB 0.233 41.076 40.800 0.071 0.000 0.996 6 D HN 0.497 nan 8.370 nan 0.000 0.464 7 V N 1.406 121.372 119.914 0.086 0.000 2.686 7 V HA 0.259 4.379 4.120 -0.000 0.000 0.306 7 V C -0.154 175.969 176.094 0.048 0.000 1.065 7 V CA -0.849 61.504 62.300 0.088 0.000 0.894 7 V CB 2.771 34.634 31.823 0.067 0.000 1.004 7 V HN -0.241 nan 8.190 nan 0.000 0.424 8 V N 5.169 125.106 119.914 0.039 0.000 2.407 8 V HA 0.405 4.525 4.120 -0.000 0.000 0.278 8 V C -0.061 176.024 176.094 -0.016 0.000 1.037 8 V CA -0.410 61.883 62.300 -0.012 0.000 0.900 8 V CB 1.830 33.640 31.823 -0.021 0.000 0.983 8 V HN 0.637 nan 8.190 nan 0.000 0.459 9 V N 6.221 126.111 119.914 -0.041 0.000 2.370 9 V HA 0.325 4.445 4.120 -0.000 0.000 0.283 9 V C -0.002 176.063 176.094 -0.048 0.000 1.023 9 V CA -0.570 61.712 62.300 -0.031 0.000 0.857 9 V CB 1.762 33.569 31.823 -0.025 0.000 0.985 9 V HN 0.603 nan 8.190 nan 0.000 0.443 10 V N 4.677 124.576 119.914 -0.025 0.000 2.368 10 V HA 0.795 4.915 4.120 -0.000 0.000 0.266 10 V C 0.695 176.790 176.094 0.001 0.000 1.045 10 V CA 0.444 62.730 62.300 -0.024 0.000 0.899 10 V CB 0.451 32.277 31.823 0.005 0.000 1.006 10 V HN 1.262 nan 8.190 nan 0.000 0.470 11 G N 3.666 112.454 108.800 -0.021 0.000 3.367 11 G HA2 0.180 4.140 3.960 -0.000 0.000 0.686 11 G HA3 0.180 4.140 3.960 -0.000 0.000 0.686 11 G C 0.073 174.972 174.900 -0.002 0.000 1.146 11 G CA -0.504 44.597 45.100 0.001 0.000 0.913 11 G HN 1.220 nan 8.290 nan 0.000 0.554 12 G N 0.846 109.642 108.800 -0.005 0.000 4.291 12 G HA2 0.683 4.643 3.960 -0.000 0.000 0.304 12 G HA3 0.683 4.643 3.960 -0.000 0.000 0.304 12 G C 0.888 175.801 174.900 0.022 0.000 1.264 12 G CA 0.922 46.020 45.100 -0.003 0.000 1.039 12 G HN 1.292 nan 8.290 nan 0.000 0.578 13 G N -0.100 108.725 108.800 0.041 0.000 2.553 13 G HA2 0.337 4.297 3.960 -0.000 0.000 0.278 13 G HA3 0.337 4.297 3.960 -0.000 0.000 0.278 13 G C 1.194 176.117 174.900 0.038 0.000 1.349 13 G CA -0.743 44.390 45.100 0.055 0.000 1.037 13 G HN 0.146 nan 8.290 nan 0.000 0.508 14 I N -0.574 120.020 120.570 0.040 0.000 2.264 14 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 14 I C 3.005 179.139 176.117 0.028 0.000 1.111 14 I CA 1.568 62.883 61.300 0.024 0.000 1.382 14 I CB -0.098 37.917 38.000 0.024 0.000 1.060 14 I HN 0.466 nan 8.210 nan 0.000 0.418 15 S N 0.526 116.255 115.700 0.048 0.000 2.355 15 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 15 S C 2.120 176.741 174.600 0.036 0.000 1.031 15 S CA 1.561 59.793 58.200 0.053 0.000 0.993 15 S CB -0.590 62.660 63.200 0.083 0.000 0.859 15 S HN 0.565 nan 8.310 nan 0.000 0.453 16 G N 1.670 110.491 108.800 0.035 0.000 2.418 16 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 16 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 16 G C 1.453 176.353 174.900 -0.000 0.000 1.158 16 G CA 1.046 46.157 45.100 0.017 0.000 0.771 16 G HN 0.394 nan 8.290 nan 0.000 0.545 17 M N 1.212 120.810 119.600 -0.003 0.000 2.117 17 M HA 0.070 4.550 4.480 -0.000 0.000 0.262 17 M C 3.011 179.300 176.300 -0.019 0.000 1.065 17 M CA 1.231 56.520 55.300 -0.019 0.000 1.114 17 M CB -1.368 31.218 32.600 -0.023 0.000 1.361 17 M HN 0.315 nan 8.290 nan 0.000 0.408 18 A N 0.185 123.000 122.820 -0.010 0.000 1.933 18 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 18 A C 2.450 180.028 177.584 -0.010 0.000 1.175 18 A CA 2.107 54.138 52.037 -0.009 0.000 0.628 18 A CB -0.874 18.126 19.000 -0.001 0.000 0.814 18 A HN 0.473 nan 8.150 nan 0.000 0.444 19 A N -0.115 122.700 122.820 -0.009 0.000 1.873 19 A HA 0.189 4.509 4.320 -0.000 0.000 0.215 19 A C 2.528 180.103 177.584 -0.014 0.000 1.186 19 A CA 2.052 54.078 52.037 -0.018 0.000 0.616 19 A CB -1.082 17.908 19.000 -0.017 0.000 0.823 19 A HN 1.054 nan 8.150 nan 0.000 0.442 20 A N -0.200 122.614 122.820 -0.010 0.000 1.902 20 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 20 A C 2.149 179.746 177.584 0.021 0.000 1.181 20 A CA 2.080 54.115 52.037 -0.002 0.000 0.623 20 A CB -0.483 18.504 19.000 -0.022 0.000 0.818 20 A HN 0.566 nan 8.150 nan 0.000 0.443 21 K N -0.487 119.916 120.400 0.004 0.000 2.026 21 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 21 K C 2.008 178.645 176.600 0.061 0.000 1.048 21 K CA 1.516 57.820 56.287 0.027 0.000 0.929 21 K CB -0.315 32.183 32.500 -0.003 0.000 0.713 21 K HN 0.454 nan 8.250 nan 0.000 0.439 22 L N 1.176 122.412 121.223 0.022 0.000 2.017 22 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 22 L C 2.188 179.062 176.870 0.007 0.000 1.073 22 L CA 1.210 56.054 54.840 0.006 0.000 0.745 22 L CB -0.148 41.899 42.059 -0.020 0.000 0.894 22 L HN 0.251 nan 8.230 nan 0.000 0.432 23 L N -1.160 120.068 121.223 0.009 0.000 2.056 23 L HA -0.265 4.075 4.340 -0.000 0.000 0.207 23 L C 2.599 179.487 176.870 0.030 0.000 1.078 23 L CA 1.515 56.356 54.840 0.002 0.000 0.749 23 L CB -0.854 41.203 42.059 -0.004 0.000 0.901 23 L HN 0.408 nan 8.230 nan 0.000 0.433 24 H N 0.328 119.383 119.070 -0.024 0.000 2.319 24 H HA -0.207 4.349 4.556 -0.000 0.000 0.299 24 H C 1.816 177.134 175.328 -0.016 0.000 1.092 24 H CA 2.099 58.137 56.048 -0.017 0.000 1.302 24 H CB 0.025 29.778 29.762 -0.016 0.000 1.373 24 H HN 0.221 nan 8.280 nan 0.000 0.497 25 D N -0.604 119.803 120.400 0.012 0.000 2.218 25 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 25 D C 1.941 178.194 176.300 -0.078 0.000 0.976 25 D CA 1.168 55.144 54.000 -0.041 0.000 0.853 25 D CB -0.199 40.614 40.800 0.023 0.000 0.939 25 D HN 0.336 nan 8.370 nan 0.000 0.481 26 S N -1.150 114.513 115.700 -0.063 0.000 2.562 26 S HA 0.219 4.689 4.470 -0.000 0.000 0.221 26 S C 1.608 176.163 174.600 -0.075 0.000 0.975 26 S CA 0.677 58.842 58.200 -0.059 0.000 0.918 26 S CB 0.646 63.818 63.200 -0.046 0.000 0.772 26 S HN 0.461 nan 8.310 nan 0.000 0.531 27 G N 0.757 109.486 108.800 -0.117 0.000 2.179 27 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 27 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 27 G C -0.030 174.821 174.900 -0.082 0.000 0.990 27 G CA -0.405 44.624 45.100 -0.118 0.000 0.646 27 G HN 0.400 nan 8.290 nan 0.000 0.517 28 L N 0.761 121.949 121.223 -0.057 0.000 2.418 28 L HA 0.414 4.754 4.340 -0.000 0.000 0.265 28 L C 0.124 177.000 176.870 0.010 0.000 1.143 28 L CA -0.988 53.844 54.840 -0.014 0.000 0.809 28 L CB 0.582 42.641 42.059 0.001 0.000 1.124 28 L HN 0.007 nan 8.230 nan 0.000 0.456 29 N N 2.013 120.732 118.700 0.032 0.000 2.406 29 N HA 0.272 5.012 4.740 -0.000 0.000 0.251 29 N C -0.658 174.893 175.510 0.069 0.000 1.069 29 N CA -0.106 52.979 53.050 0.059 0.000 0.947 29 N CB 1.542 40.059 38.487 0.050 0.000 1.111 29 N HN 0.359 nan 8.380 nan 0.000 0.497 30 V N 0.225 120.190 119.914 0.086 0.000 2.715 30 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 30 V C -0.111 176.005 176.094 0.036 0.000 1.054 30 V CA -0.714 61.621 62.300 0.058 0.000 0.928 30 V CB 1.968 33.823 31.823 0.054 0.000 1.007 30 V HN 0.155 nan 8.190 nan 0.000 0.437 31 V N 3.711 123.626 119.914 0.003 0.000 2.656 31 V HA 0.543 4.663 4.120 -0.000 0.000 0.307 31 V C -0.358 175.679 176.094 -0.096 0.000 1.051 31 V CA -0.536 61.737 62.300 -0.045 0.000 0.893 31 V CB 2.080 33.866 31.823 -0.061 0.000 0.999 31 V HN 0.842 nan 8.190 nan 0.000 0.426 32 V N 6.034 125.883 119.914 -0.107 0.000 2.370 32 V HA 0.454 4.574 4.120 -0.000 0.000 0.283 32 V C -0.217 175.779 176.094 -0.163 0.000 1.023 32 V CA -0.444 61.789 62.300 -0.111 0.000 0.857 32 V CB 1.502 33.281 31.823 -0.074 0.000 0.985 32 V HN 0.615 nan 8.190 nan 0.000 0.443 33 L N 4.589 125.699 121.223 -0.188 0.000 2.262 33 L HA 0.582 4.922 4.340 -0.000 0.000 0.288 33 L C -0.142 176.642 176.870 -0.143 0.000 1.035 33 L CA -0.342 54.368 54.840 -0.217 0.000 0.820 33 L CB 1.355 43.244 42.059 -0.282 0.000 1.204 33 L HN 0.624 nan 8.230 nan 0.000 0.424 34 E N 2.397 122.519 120.200 -0.130 0.000 2.158 34 E HA 0.472 4.822 4.350 -0.000 0.000 0.271 34 E C 0.375 176.871 176.600 -0.174 0.000 0.911 34 E CA -0.313 56.014 56.400 -0.121 0.000 0.767 34 E CB 2.039 31.691 29.700 -0.079 0.000 1.120 34 E HN 0.553 nan 8.360 nan 0.000 0.405 35 A N 5.497 128.151 122.820 -0.278 0.000 1.902 35 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 35 A C 1.071 178.424 177.584 -0.383 0.000 1.181 35 A CA 1.037 52.774 52.037 -0.500 0.000 0.623 35 A CB -0.209 18.102 19.000 -1.147 0.000 0.818 35 A HN 0.614 nan 8.150 nan 0.000 0.443 36 R N -0.099 120.256 120.500 -0.241 0.000 2.580 36 R HA 0.235 4.575 4.340 -0.000 0.000 0.267 36 R C 0.202 176.466 176.300 -0.061 0.000 1.125 36 R CA 0.144 56.182 56.100 -0.103 0.000 1.188 36 R CB 0.140 30.422 30.300 -0.031 0.000 1.155 36 R HN 0.463 nan 8.270 nan 0.000 0.586 37 D N 0.389 120.773 120.400 -0.027 0.000 2.324 37 D HA -0.044 4.596 4.640 -0.000 0.000 0.235 37 D C -0.082 176.222 176.300 0.006 0.000 1.095 37 D CA 0.148 54.142 54.000 -0.010 0.000 0.871 37 D CB -0.038 40.761 40.800 -0.000 0.000 0.906 37 D HN 0.437 nan 8.370 nan 0.000 0.522 38 R N -1.216 119.290 120.500 0.010 0.000 2.764 38 R HA 0.577 4.917 4.340 -0.000 0.000 0.270 38 R C -0.616 175.707 176.300 0.039 0.000 1.014 38 R CA -1.106 55.019 56.100 0.041 0.000 0.904 38 R CB 1.222 31.572 30.300 0.085 0.000 1.236 38 R HN -0.100 nan 8.270 nan 0.000 0.466 39 V N -1.483 118.461 119.914 0.050 0.000 3.262 39 V HA 0.855 4.975 4.120 -0.000 0.000 0.313 39 V C 0.948 177.099 176.094 0.095 0.000 1.070 39 V CA 0.458 62.787 62.300 0.048 0.000 1.049 39 V CB 0.762 32.597 31.823 0.021 0.000 1.157 39 V HN 1.192 nan 8.190 nan 0.000 0.454 40 G N -0.899 107.954 108.800 0.090 0.000 2.376 40 G HA2 0.153 4.113 3.960 -0.000 0.000 0.208 40 G HA3 0.153 4.113 3.960 -0.000 0.000 0.208 40 G C 1.645 176.636 174.900 0.151 0.000 1.032 40 G CA 0.777 45.952 45.100 0.124 0.000 0.641 40 G HN 2.641 nan 8.290 nan 0.000 0.503 41 G N 0.594 109.497 108.800 0.173 0.000 2.602 41 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.310 41 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.310 41 G C 0.939 176.006 174.900 0.278 0.000 1.183 41 G CA 1.457 46.677 45.100 0.199 0.000 0.979 41 G HN 1.199 nan 8.290 nan 0.000 0.545 42 R N 1.846 122.414 120.500 0.114 0.000 2.323 42 R HA 0.215 4.555 4.340 -0.000 0.000 0.198 42 R C 1.079 177.275 176.300 -0.175 0.000 0.988 42 R CA 1.081 57.065 56.100 -0.194 0.000 1.041 42 R CB -0.186 29.980 30.300 -0.223 0.000 0.926 42 R HN 0.716 nan 8.270 nan 0.000 0.476 43 T N -2.469 112.141 114.554 0.093 0.000 2.859 43 T HA 0.376 4.726 4.350 -0.000 0.000 0.281 43 T C -0.954 173.979 174.700 0.389 0.000 1.005 43 T CA -0.646 61.559 62.100 0.176 0.000 1.025 43 T CB 1.621 70.555 68.868 0.110 0.000 0.977 43 T HN 0.106 nan 8.240 nan 0.000 0.458 44 Y N 1.127 121.581 120.300 0.257 0.000 2.313 44 Y HA 0.428 4.978 4.550 -0.000 0.000 0.320 44 Y C -1.233 174.782 175.900 0.192 0.000 1.171 44 Y CA -0.784 57.464 58.100 0.247 0.000 1.093 44 Y CB 1.568 40.235 38.460 0.344 0.000 1.224 44 Y HN 0.891 nan 8.280 nan 0.000 0.421 45 T N 7.734 122.109 114.554 -0.298 0.000 2.756 45 T HA 0.415 4.765 4.350 -0.000 0.000 0.290 45 T C -0.901 173.470 174.700 -0.549 0.000 0.985 45 T CA -0.416 61.512 62.100 -0.288 0.000 0.955 45 T CB 0.668 69.478 68.868 -0.096 0.000 0.930 45 T HN 0.567 nan 8.240 nan 0.000 0.451 46 L N 4.368 125.296 121.223 -0.492 0.000 2.326 46 L HA 0.642 4.982 4.340 -0.000 0.000 0.278 46 L C -0.282 176.513 176.870 -0.124 0.000 1.092 46 L CA -0.123 54.507 54.840 -0.351 0.000 0.810 46 L CB 0.491 42.440 42.059 -0.183 0.000 1.153 46 L HN 0.441 nan 8.230 nan 0.000 0.439 47 R N 3.511 123.962 120.500 -0.082 0.000 2.494 47 R HA 0.658 4.998 4.340 -0.000 0.000 0.305 47 R C -1.081 175.194 176.300 -0.042 0.000 0.959 47 R CA -0.584 55.492 56.100 -0.040 0.000 0.864 47 R CB 1.355 31.643 30.300 -0.021 0.000 1.159 47 R HN 0.896 nan 8.270 nan 0.000 0.446 48 N N -1.000 117.658 118.700 -0.069 0.000 3.020 48 N HA 0.058 4.798 4.740 -0.000 0.000 0.248 48 N C -0.103 175.343 175.510 -0.106 0.000 1.480 48 N CA -0.871 52.136 53.050 -0.073 0.000 0.874 48 N CB 0.621 39.071 38.487 -0.063 0.000 1.433 48 N HN 0.186 nan 8.380 nan 0.000 0.530 49 Q N -0.140 119.607 119.800 -0.087 0.000 2.135 49 Q HA -0.038 4.302 4.340 -0.000 0.000 0.204 49 Q C 0.682 176.633 176.000 -0.081 0.000 0.981 49 Q CA 1.552 57.318 55.803 -0.061 0.000 0.856 49 Q CB -0.065 28.643 28.738 -0.050 0.000 0.902 49 Q HN 0.558 nan 8.270 nan 0.000 0.425 50 K N -0.119 120.135 120.400 -0.242 0.000 2.155 50 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 50 K C 1.967 178.348 176.600 -0.365 0.000 1.052 50 K CA 1.308 57.342 56.287 -0.421 0.000 0.948 50 K CB 0.042 31.913 32.500 -1.048 0.000 0.728 50 K HN 0.312 nan 8.250 nan 0.000 0.448 51 V N -3.130 116.539 119.914 -0.407 0.000 3.645 51 V HA 0.233 4.353 4.120 -0.000 0.000 0.275 51 V C 1.394 177.071 176.094 -0.696 0.000 1.356 51 V CA 0.554 62.562 62.300 -0.488 0.000 1.051 51 V CB 0.235 31.803 31.823 -0.426 0.000 0.828 51 V HN 0.238 nan 8.190 nan 0.000 0.441 52 K N 0.570 120.640 120.400 -0.549 0.000 10.883 52 K HA -0.305 4.015 4.320 -0.000 0.000 0.526 52 K C 0.146 176.632 176.600 -0.189 0.000 0.382 52 K CA 2.547 58.561 56.287 -0.456 0.000 1.943 52 K CB -1.433 30.586 32.500 -0.802 0.000 0.766 52 K HN 0.940 nan 8.250 nan 0.000 1.214 53 Y N -1.937 118.204 120.300 -0.265 0.000 2.562 53 Y HA 0.738 5.288 4.550 -0.000 0.000 0.345 53 Y C -1.201 174.651 175.900 -0.080 0.000 1.045 53 Y CA -0.785 57.226 58.100 -0.149 0.000 1.028 53 Y CB 2.091 40.483 38.460 -0.113 0.000 1.297 53 Y HN -0.002 nan 8.280 nan 0.000 0.463 54 V N 2.344 122.317 119.914 0.099 0.000 2.817 54 V HA 0.353 4.473 4.120 -0.000 0.000 0.303 54 V C -1.580 174.577 176.094 0.105 0.000 1.151 54 V CA -0.648 61.715 62.300 0.105 0.000 0.929 54 V CB 1.898 33.803 31.823 0.137 0.000 1.030 54 V HN 0.924 nan 8.190 nan 0.000 0.427 55 D N 5.675 126.150 120.400 0.125 0.000 2.358 55 D HA 0.276 4.916 4.640 -0.000 0.000 0.258 55 D C 0.812 177.200 176.300 0.146 0.000 1.223 55 D CA 0.280 54.341 54.000 0.101 0.000 0.886 55 D CB 1.825 42.654 40.800 0.048 0.000 1.120 55 D HN 0.522 nan 8.370 nan 0.000 0.482 56 L N 1.495 122.864 121.223 0.243 0.000 2.616 56 L HA 0.229 4.569 4.340 -0.000 0.000 0.229 56 L C 1.492 178.763 176.870 0.669 0.000 1.110 56 L CA 0.006 55.088 54.840 0.404 0.000 0.884 56 L CB 0.419 42.738 42.059 0.433 0.000 1.115 56 L HN 0.340 nan 8.230 nan 0.000 0.481 57 G N -0.759 108.352 108.800 0.518 0.000 3.247 57 G HA2 0.424 4.384 3.960 -0.000 0.000 0.163 57 G HA3 0.424 4.384 3.960 -0.000 0.000 0.163 57 G C -0.155 174.776 174.900 0.052 0.000 1.206 57 G CA -0.067 45.169 45.100 0.226 0.000 0.918 57 G HN 0.069 nan 8.290 nan 0.000 0.625 58 G N -0.688 108.075 108.800 -0.062 0.000 2.321 58 G HA2 0.364 4.324 3.960 -0.000 0.000 0.237 58 G HA3 0.364 4.324 3.960 -0.000 0.000 0.237 58 G C 0.545 175.417 174.900 -0.047 0.000 1.282 58 G CA 0.927 45.993 45.100 -0.057 0.000 0.886 58 G HN 0.837 nan 8.290 nan 0.000 0.528 59 S N 1.342 116.949 115.700 -0.154 0.000 3.084 59 S HA 0.194 4.664 4.470 -0.000 0.000 0.262 59 S C 0.106 174.438 174.600 -0.447 0.000 1.081 59 S CA -0.324 57.681 58.200 -0.325 0.000 0.855 59 S CB 0.048 62.908 63.200 -0.568 0.000 0.857 59 S HN 0.492 nan 8.310 nan 0.000 0.449 60 Y N 2.802 123.030 120.300 -0.120 0.000 2.319 60 Y HA 0.532 5.082 4.550 -0.000 0.000 0.328 60 Y C 0.298 176.017 175.900 -0.302 0.000 1.133 60 Y CA -0.397 57.577 58.100 -0.211 0.000 1.265 60 Y CB 1.235 39.607 38.460 -0.147 0.000 1.218 60 Y HN 0.131 nan 8.280 nan 0.000 0.508 61 V N -0.128 119.627 119.914 -0.264 0.000 3.102 61 V HA 1.107 5.227 4.120 -0.000 0.000 0.312 61 V C -0.299 175.590 176.094 -0.342 0.000 1.135 61 V CA -0.530 61.542 62.300 -0.379 0.000 1.022 61 V CB 1.718 33.246 31.823 -0.491 0.000 1.056 61 V HN 0.934 nan 8.190 nan 0.000 0.436 62 G N 0.210 108.779 108.800 -0.384 0.000 2.548 62 G HA2 0.697 4.657 3.960 -0.000 0.000 0.301 62 G HA3 0.697 4.657 3.960 -0.000 0.000 0.301 62 G C -3.465 171.290 174.900 -0.241 0.000 1.349 62 G CA -1.056 43.878 45.100 -0.276 0.000 0.792 62 G HN 0.720 nan 8.290 nan 0.000 0.481 63 P HA 0.131 nan 4.420 nan 0.000 0.265 63 P C 0.798 178.106 177.300 0.014 0.000 1.187 63 P CA 1.971 65.045 63.100 -0.044 0.000 0.766 63 P CB 0.861 32.562 31.700 0.001 0.000 0.820 64 T N -1.546 113.046 114.554 0.063 0.000 5.979 64 T HA -0.246 4.104 4.350 -0.000 0.000 0.273 64 T C 0.213 174.980 174.700 0.112 0.000 2.195 64 T CA 0.966 63.189 62.100 0.205 0.000 3.693 64 T CB -2.705 66.420 68.868 0.429 0.000 0.944 64 T HN 0.589 nan 8.240 nan 0.000 1.117 65 Q N 1.225 120.908 119.800 -0.195 0.000 3.091 65 Q HA 0.385 4.725 4.340 -0.000 0.000 0.301 65 Q C 0.853 176.768 176.000 -0.142 0.000 1.337 65 Q CA -0.515 55.068 55.803 -0.367 0.000 1.083 65 Q CB 0.279 28.610 28.738 -0.679 0.000 1.477 65 Q HN 0.479 nan 8.270 nan 0.000 0.537 66 N N 0.841 119.529 118.700 -0.020 0.000 2.354 66 N HA -0.066 4.674 4.740 -0.000 0.000 0.179 66 N C 1.256 176.779 175.510 0.021 0.000 1.021 66 N CA 0.798 53.857 53.050 0.015 0.000 0.887 66 N CB 0.274 38.794 38.487 0.055 0.000 0.974 66 N HN 0.380 nan 8.380 nan 0.000 0.437 67 R N 0.546 121.062 120.500 0.027 0.000 2.062 67 R HA -0.000 4.340 4.340 -0.000 0.000 0.231 67 R C 2.056 178.368 176.300 0.021 0.000 1.136 67 R CA 0.757 56.877 56.100 0.032 0.000 0.948 67 R CB -0.403 29.928 30.300 0.051 0.000 0.845 67 R HN 0.090 nan 8.270 nan 0.000 0.430 68 I N 1.329 121.905 120.570 0.009 0.000 2.286 68 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 68 I C 1.846 178.024 176.117 0.102 0.000 1.115 68 I CA 1.397 62.723 61.300 0.044 0.000 1.392 68 I CB -0.094 37.935 38.000 0.049 0.000 1.065 68 I HN 0.102 nan 8.210 nan 0.000 0.418 69 L N 0.127 121.397 121.223 0.079 0.000 2.046 69 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 69 L C 2.750 179.664 176.870 0.073 0.000 1.077 69 L CA 1.344 56.248 54.840 0.108 0.000 0.747 69 L CB -0.859 41.220 42.059 0.034 0.000 0.896 69 L HN 0.257 nan 8.230 nan 0.000 0.432 70 R N 0.727 121.250 120.500 0.039 0.000 2.066 70 R HA -0.181 4.159 4.340 -0.000 0.000 0.232 70 R C 2.306 178.610 176.300 0.007 0.000 1.131 70 R CA 1.641 57.755 56.100 0.023 0.000 0.955 70 R CB -0.599 29.714 30.300 0.022 0.000 0.851 70 R HN 0.248 nan 8.270 nan 0.000 0.432 71 L N 1.181 122.403 121.223 -0.002 0.000 2.017 71 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 71 L C 2.419 179.247 176.870 -0.071 0.000 1.073 71 L CA 2.309 57.130 54.840 -0.031 0.000 0.745 71 L CB -0.861 41.179 42.059 -0.033 0.000 0.894 71 L HN 0.241 nan 8.230 nan 0.000 0.432 72 A N -0.644 122.118 122.820 -0.097 0.000 1.902 72 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 72 A C 2.465 179.983 177.584 -0.109 0.000 1.181 72 A CA 1.982 53.890 52.037 -0.216 0.000 0.623 72 A CB -0.647 18.110 19.000 -0.406 0.000 0.818 72 A HN 0.513 nan 8.150 nan 0.000 0.443 73 K N -0.293 120.095 120.400 -0.020 0.000 2.026 73 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 73 K C 2.089 178.678 176.600 -0.019 0.000 1.048 73 K CA 1.732 58.020 56.287 0.001 0.000 0.929 73 K CB -0.199 32.316 32.500 0.025 0.000 0.713 73 K HN 0.622 nan 8.250 nan 0.000 0.439 74 E N 0.483 120.669 120.200 -0.023 0.000 2.118 74 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 74 E C 1.679 178.257 176.600 -0.037 0.000 0.992 74 E CA 1.048 57.434 56.400 -0.023 0.000 0.804 74 E CB -0.009 29.679 29.700 -0.019 0.000 0.741 74 E HN 0.358 nan 8.360 nan 0.000 0.458 75 L N -0.712 120.474 121.223 -0.062 0.000 2.610 75 L HA 0.140 4.480 4.340 -0.000 0.000 0.232 75 L C 1.392 178.217 176.870 -0.075 0.000 1.149 75 L CA 0.481 55.275 54.840 -0.077 0.000 0.872 75 L CB 0.166 42.157 42.059 -0.114 0.000 0.992 75 L HN 0.407 nan 8.230 nan 0.000 0.447 76 G N 0.063 108.827 108.800 -0.059 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 0.082 174.953 174.900 -0.048 0.000 0.990 76 G CA -0.381 44.693 45.100 -0.044 0.000 0.671 76 G HN 0.186 nan 8.290 nan 0.000 0.521 77 L N -0.070 121.111 121.223 -0.070 0.000 2.399 77 L HA 0.738 5.077 4.340 -0.000 0.000 0.265 77 L C 0.630 177.530 176.870 0.050 0.000 1.089 77 L CA -0.684 54.121 54.840 -0.059 0.000 0.802 77 L CB 1.059 42.986 42.059 -0.220 0.000 1.180 77 L HN 0.187 nan 8.230 nan 0.000 0.454 78 E N -0.200 120.072 120.200 0.121 0.000 2.336 78 E HA 0.469 4.819 4.350 -0.000 0.000 0.267 78 E C -0.995 175.758 176.600 0.256 0.000 0.906 78 E CA -0.715 55.782 56.400 0.161 0.000 0.781 78 E CB 2.471 32.236 29.700 0.109 0.000 1.261 78 E HN 0.666 nan 8.360 nan 0.000 0.436 79 T N -1.417 113.236 114.554 0.165 0.000 2.950 79 T HA 0.641 4.991 4.350 -0.000 0.000 0.288 79 T C -0.757 174.021 174.700 0.129 0.000 1.035 79 T CA -0.701 61.429 62.100 0.050 0.000 1.028 79 T CB 0.739 69.513 68.868 -0.156 0.000 1.109 79 T HN 0.535 nan 8.240 nan 0.000 0.514 80 Y N -1.493 118.797 120.300 -0.016 0.000 2.609 80 Y HA 0.742 5.292 4.550 0.000 0.000 0.342 80 Y C -0.826 175.070 175.900 -0.006 0.000 1.058 80 Y CA -1.557 56.548 58.100 0.007 0.000 1.055 80 Y CB 1.372 39.857 38.460 0.042 0.000 1.292 80 Y HN 0.627 nan 8.280 nan 0.000 0.476 81 K N 2.137 122.588 120.400 0.084 0.000 2.234 81 K HA 0.443 4.763 4.320 -0.000 0.000 0.282 81 K C -0.851 175.773 176.600 0.039 0.000 1.039 81 K CA -0.777 55.502 56.287 -0.013 0.000 0.928 81 K CB 1.613 34.139 32.500 0.042 0.000 1.039 81 K HN 0.577 nan 8.250 nan 0.000 0.470 82 V N 3.315 123.192 119.914 -0.062 0.000 2.673 82 V HA -0.112 4.008 4.120 -0.000 0.000 0.303 82 V C 0.564 176.701 176.094 0.072 0.000 1.046 82 V CA -0.126 62.197 62.300 0.040 0.000 1.126 82 V CB 0.265 32.100 31.823 0.020 0.000 0.934 82 V HN 0.729 nan 8.190 nan 0.000 0.487 83 N N 3.944 122.714 118.700 0.117 0.000 2.434 83 N HA 0.013 4.753 4.740 -0.000 0.000 0.268 83 N C 0.262 175.797 175.510 0.041 0.000 1.256 83 N CA 0.515 53.622 53.050 0.094 0.000 0.914 83 N CB 0.269 38.837 38.487 0.135 0.000 1.088 83 N HN 0.822 nan 8.380 nan 0.000 0.478 84 E N 2.947 123.161 120.200 0.022 0.000 3.191 84 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 84 E C 0.345 176.944 176.600 -0.002 0.000 0.972 84 E CA -0.066 56.329 56.400 -0.009 0.000 1.266 84 E CB 0.267 29.948 29.700 -0.030 0.000 1.076 84 E HN 0.442 nan 8.360 nan 0.000 0.462 85 V N 0.497 120.422 119.914 0.018 0.000 2.307 85 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 85 V C 0.952 177.053 176.094 0.011 0.000 1.045 85 V CA 1.620 63.929 62.300 0.015 0.000 1.024 85 V CB -0.137 31.698 31.823 0.019 0.000 0.651 85 V HN 0.257 nan 8.190 nan 0.000 0.449 86 E N -0.738 119.474 120.200 0.021 0.000 3.099 86 E HA 0.399 4.749 4.350 -0.000 0.000 0.259 86 E C 0.203 176.812 176.600 0.014 0.000 1.274 86 E CA -0.649 55.767 56.400 0.027 0.000 1.111 86 E CB 0.249 29.979 29.700 0.050 0.000 1.327 86 E HN 0.299 nan 8.360 nan 0.000 0.652 87 R N 0.217 120.747 120.500 0.050 0.000 2.539 87 R HA 0.278 4.618 4.340 -0.000 0.000 0.275 87 R C -0.469 175.779 176.300 -0.086 0.000 1.077 87 R CA -0.551 55.551 56.100 0.003 0.000 1.097 87 R CB 0.118 30.487 30.300 0.115 0.000 1.018 87 R HN 0.177 nan 8.270 nan 0.000 0.483 88 L N 2.506 123.494 121.223 -0.391 0.000 2.456 88 L HA 0.376 4.716 4.340 -0.000 0.000 0.257 88 L C 0.215 176.830 176.870 -0.424 0.000 1.162 88 L CA 0.183 54.678 54.840 -0.573 0.000 0.808 88 L CB 0.460 41.847 42.059 -1.120 0.000 1.136 88 L HN 0.462 nan 8.230 nan 0.000 0.466 89 I N 0.207 120.675 120.570 -0.170 0.000 2.498 89 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 89 I C -0.633 175.762 176.117 0.464 0.000 1.032 89 I CA -0.474 60.892 61.300 0.109 0.000 1.073 89 I CB 1.544 39.464 38.000 -0.133 0.000 1.251 89 I HN 0.546 nan 8.210 nan 0.000 0.426 90 H N 5.388 124.775 119.070 0.527 0.000 2.541 90 H HA 0.307 4.863 4.556 -0.000 0.000 0.316 90 H C -1.244 174.324 175.328 0.400 0.000 1.043 90 H CA -0.737 55.565 56.048 0.424 0.000 1.232 90 H CB 0.900 30.833 29.762 0.285 0.000 1.406 90 H HN 0.606 nan 8.280 nan 0.000 0.469 91 H N 4.865 124.067 119.070 0.220 0.000 2.597 91 H HA 0.344 4.900 4.556 -0.000 0.000 0.303 91 H C -1.308 174.022 175.328 0.003 0.000 1.057 91 H CA -0.413 55.696 56.048 0.101 0.000 1.261 91 H CB 0.377 30.195 29.762 0.094 0.000 1.397 91 H HN 0.268 nan 8.280 nan 0.000 0.461 92 V N 5.965 125.754 119.914 -0.208 0.000 2.588 92 V HA 0.185 4.305 4.120 -0.000 0.000 0.304 92 V C 0.027 176.060 176.094 -0.101 0.000 1.042 92 V CA -1.287 60.913 62.300 -0.165 0.000 0.877 92 V CB 1.713 33.380 31.823 -0.259 0.000 0.996 92 V HN 0.933 nan 8.190 nan 0.000 0.425 93 K N 3.427 123.799 120.400 -0.047 0.000 3.311 93 K HA -0.253 4.067 4.320 -0.000 0.000 0.270 93 K C 1.084 177.646 176.600 -0.065 0.000 0.927 93 K CA 0.766 57.042 56.287 -0.017 0.000 0.706 93 K CB -1.342 31.165 32.500 0.012 0.000 1.418 93 K HN 1.687 nan 8.250 nan 0.000 0.459 94 G N -0.170 108.547 108.800 -0.140 0.000 2.148 94 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 94 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 94 G C -0.169 174.549 174.900 -0.304 0.000 0.981 94 G CA 0.968 46.008 45.100 -0.099 0.000 0.670 94 G HN 0.404 nan 8.290 nan 0.000 0.528 95 K N 0.004 120.037 120.400 -0.612 0.000 2.464 95 K HA 0.581 4.901 4.320 -0.000 0.000 0.253 95 K C -0.672 175.564 176.600 -0.606 0.000 0.933 95 K CA -0.628 55.369 56.287 -0.484 0.000 0.801 95 K CB 1.982 34.265 32.500 -0.362 0.000 1.271 95 K HN 0.067 nan 8.250 nan 0.000 0.430 96 S N 1.705 117.200 115.700 -0.342 0.000 2.499 96 S HA 0.364 4.834 4.470 -0.000 0.000 0.279 96 S C -1.158 173.233 174.600 -0.347 0.000 1.219 96 S CA -0.461 57.667 58.200 -0.120 0.000 1.062 96 S CB 0.149 63.382 63.200 0.055 0.000 0.978 96 S HN 0.345 nan 8.310 nan 0.000 0.489 97 Y N 2.749 123.129 120.300 0.135 0.000 2.447 97 Y HA 0.353 4.903 4.550 0.000 0.000 0.325 97 Y C -2.464 173.633 175.900 0.327 0.000 0.976 97 Y CA -2.456 55.764 58.100 0.199 0.000 1.280 97 Y CB 0.754 39.323 38.460 0.182 0.000 1.104 97 Y HN 0.459 nan 8.280 nan 0.000 0.486 98 P HA 0.234 nan 4.420 nan 0.000 0.271 98 P C -0.828 176.762 177.300 0.483 0.000 1.218 98 P CA 0.008 63.328 63.100 0.367 0.000 0.780 98 P CB 0.609 32.519 31.700 0.349 0.000 0.901 99 F N -1.033 119.042 119.950 0.209 0.000 2.779 99 F HA 0.706 5.233 4.527 0.000 0.000 0.316 99 F C -1.092 174.792 175.800 0.140 0.000 1.164 99 F CA -1.314 56.799 58.000 0.188 0.000 0.924 99 F CB 1.421 40.540 39.000 0.199 0.000 1.348 99 F HN 0.053 nan 8.300 nan 0.000 0.467 100 R N 0.780 121.423 120.500 0.238 0.000 2.854 100 R HA 0.784 5.124 4.340 -0.000 0.000 0.271 100 R C -0.394 176.053 176.300 0.245 0.000 0.994 100 R CA -0.796 55.362 56.100 0.096 0.000 0.945 100 R CB 1.768 32.125 30.300 0.095 0.000 1.194 100 R HN 1.489 nan 8.270 nan 0.000 0.476 101 G N 1.369 110.251 108.800 0.137 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 -2.010 173.012 174.900 0.204 0.000 1.350 101 G CA -0.750 44.449 45.100 0.165 0.000 0.837 101 G HN 0.463 nan 8.290 nan 0.000 0.564 102 P HA 0.122 nan 4.420 nan 0.000 0.225 102 P C 0.402 177.592 177.300 -0.183 0.000 1.156 102 P CA 1.021 64.079 63.100 -0.070 0.000 0.787 102 P CB 0.135 31.700 31.700 -0.225 0.000 0.802 103 F N 2.078 122.056 119.950 0.046 0.000 2.444 103 F HA 0.401 4.928 4.527 0.000 0.000 0.342 103 F C -1.985 173.581 175.800 -0.390 0.000 1.121 103 F CA -2.912 54.986 58.000 -0.169 0.000 0.997 103 F CB 1.444 40.275 39.000 -0.283 0.000 1.130 103 F HN -0.250 nan 8.300 nan 0.000 0.454 104 P HA 0.118 nan 4.420 nan 0.000 0.271 104 P C -2.566 174.454 177.300 -0.467 0.000 1.233 104 P CA -1.113 61.258 63.100 -1.216 0.000 0.764 104 P CB 0.079 31.178 31.700 -1.002 0.000 0.825 105 P HA 0.090 nan 4.420 nan 0.000 0.272 105 P C -0.549 176.607 177.300 -0.241 0.000 1.230 105 P CA -0.075 62.882 63.100 -0.239 0.000 0.788 105 P CB 0.577 32.167 31.700 -0.184 0.000 0.949 106 V N -1.984 117.728 119.914 -0.336 0.000 2.656 106 V HA 0.427 4.547 4.120 -0.000 0.000 0.307 106 V C -0.053 175.855 176.094 -0.310 0.000 1.051 106 V CA -0.636 61.498 62.300 -0.277 0.000 0.893 106 V CB 1.871 33.431 31.823 -0.438 0.000 0.999 106 V HN 0.613 nan 8.190 nan 0.000 0.426 107 W N 0.513 121.783 121.300 -0.050 0.000 2.792 107 W HA 0.310 4.970 4.660 -0.000 0.000 0.262 107 W C 1.288 177.797 176.519 -0.017 0.000 1.212 107 W CA -0.009 57.319 57.345 -0.030 0.000 1.433 107 W CB 0.336 29.774 29.460 -0.037 0.000 1.004 107 W HN 0.671 nan 8.180 nan 0.000 0.608 108 N N 2.279 121.084 118.700 0.174 0.000 2.447 108 N HA -0.029 4.711 4.740 -0.000 0.000 0.263 108 N C -1.784 173.787 175.510 0.101 0.000 1.226 108 N CA -0.471 52.648 53.050 0.116 0.000 0.906 108 N CB 1.592 40.132 38.487 0.087 0.000 1.060 108 N HN -0.145 nan 8.380 nan 0.000 0.468 109 P HA -0.075 nan 4.420 nan 0.000 0.216 109 P C 1.525 178.889 177.300 0.107 0.000 1.153 109 P CA 0.681 63.824 63.100 0.072 0.000 0.848 109 P CB 0.349 32.072 31.700 0.039 0.000 0.787 110 I N -0.634 119.986 120.570 0.084 0.000 2.252 110 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 110 I C 1.944 178.122 176.117 0.102 0.000 1.102 110 I CA 1.798 63.143 61.300 0.076 0.000 1.385 110 I CB -2.025 36.014 38.000 0.064 0.000 1.064 110 I HN 0.016 nan 8.210 nan 0.000 0.414 111 T N 0.415 115.038 114.554 0.114 0.000 2.746 111 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 111 T C 1.887 176.668 174.700 0.136 0.000 1.039 111 T CA 1.461 63.646 62.100 0.142 0.000 1.142 111 T CB -0.649 68.276 68.868 0.094 0.000 0.866 111 T HN 0.298 nan 8.240 nan 0.000 0.444 112 Y N 1.875 122.157 120.300 -0.030 0.000 2.128 112 Y HA -0.155 4.395 4.550 -0.000 0.000 0.284 112 Y C 2.067 177.969 175.900 0.003 0.000 1.154 112 Y CA 1.259 59.319 58.100 -0.066 0.000 1.149 112 Y CB -0.519 37.873 38.460 -0.113 0.000 0.976 112 Y HN 0.110 nan 8.280 nan 0.000 0.505 113 L N -0.228 121.072 121.223 0.129 0.000 2.046 113 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 113 L C 2.187 179.037 176.870 -0.034 0.000 1.077 113 L CA 1.782 56.642 54.840 0.033 0.000 0.747 113 L CB -0.643 41.444 42.059 0.047 0.000 0.896 113 L HN 0.252 nan 8.230 nan 0.000 0.432 114 D N -0.905 119.510 120.400 0.024 0.000 2.097 114 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 114 D C 2.182 178.488 176.300 0.010 0.000 0.984 114 D CA 1.252 55.273 54.000 0.035 0.000 0.826 114 D CB 0.033 40.888 40.800 0.092 0.000 0.973 114 D HN 0.292 nan 8.370 nan 0.000 0.460 115 H N -0.538 118.471 119.070 -0.102 0.000 2.290 115 H HA -0.139 4.417 4.556 -0.000 0.000 0.298 115 H C 2.019 177.302 175.328 -0.073 0.000 1.087 115 H CA 1.500 57.495 56.048 -0.088 0.000 1.291 115 H CB -0.197 29.527 29.762 -0.062 0.000 1.369 115 H HN 0.183 nan 8.280 nan 0.000 0.492 116 N N 0.972 119.597 118.700 -0.125 0.000 2.069 116 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 116 N C 1.769 177.211 175.510 -0.112 0.000 1.031 116 N CA 1.453 54.374 53.050 -0.215 0.000 0.852 116 N CB -0.317 37.910 38.487 -0.433 0.000 1.018 116 N HN 0.292 nan 8.380 nan 0.000 0.423 117 N N -0.953 117.689 118.700 -0.098 0.000 2.166 117 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 117 N C 1.745 177.198 175.510 -0.095 0.000 1.019 117 N CA 0.996 53.993 53.050 -0.087 0.000 0.856 117 N CB -0.276 38.173 38.487 -0.064 0.000 0.993 117 N HN 0.322 nan 8.380 nan 0.000 0.426 118 F N 0.762 120.563 119.950 -0.248 0.000 2.046 118 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 118 F C 1.779 177.367 175.800 -0.354 0.000 1.123 118 F CA 1.700 59.478 58.000 -0.370 0.000 1.199 118 F CB -0.951 37.684 39.000 -0.608 0.000 0.972 118 F HN 0.071 nan 8.300 nan 0.000 0.474 119 W N 0.644 121.639 121.300 -0.508 0.000 2.358 119 W HA -0.107 4.553 4.660 -0.000 0.000 0.303 119 W C 2.848 179.085 176.519 -0.469 0.000 1.208 119 W CA 1.490 58.471 57.345 -0.608 0.000 1.274 119 W CB -0.670 28.548 29.460 -0.402 0.000 1.138 119 W HN -0.046 nan 8.180 nan 0.000 0.515 120 R N 0.146 120.567 120.500 -0.132 0.000 2.083 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 120 R C 1.948 178.137 176.300 -0.186 0.000 1.137 120 R CA 2.260 58.267 56.100 -0.155 0.000 0.951 120 R CB -0.707 29.503 30.300 -0.151 0.000 0.851 120 R HN 0.039 nan 8.270 nan 0.000 0.434 121 T N 1.292 115.712 114.554 -0.224 0.000 2.821 121 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 121 T C 1.838 176.380 174.700 -0.263 0.000 1.046 121 T CA 1.334 63.307 62.100 -0.211 0.000 1.139 121 T CB -0.049 68.712 68.868 -0.178 0.000 0.871 121 T HN 0.176 nan 8.240 nan 0.000 0.454 122 M N 1.619 120.990 119.600 -0.382 0.000 2.082 122 M HA -0.120 4.360 4.480 -0.000 0.000 0.258 122 M C 1.857 178.031 176.300 -0.211 0.000 1.069 122 M CA 1.569 56.670 55.300 -0.331 0.000 1.102 122 M CB -1.065 31.283 32.600 -0.420 0.000 1.336 122 M HN 0.191 nan 8.290 nan 0.000 0.404 123 D N 0.423 120.716 120.400 -0.179 0.000 2.149 123 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 123 D C 1.610 177.841 176.300 -0.115 0.000 0.972 123 D CA 1.004 54.923 54.000 -0.135 0.000 0.835 123 D CB -0.322 40.408 40.800 -0.117 0.000 0.966 123 D HN 0.285 nan 8.370 nan 0.000 0.476 124 D N 0.484 120.814 120.400 -0.116 0.000 2.106 124 D HA -0.144 4.496 4.640 -0.000 0.000 0.191 124 D C 2.211 178.493 176.300 -0.030 0.000 0.997 124 D CA 0.878 54.834 54.000 -0.074 0.000 0.834 124 D CB -0.288 40.468 40.800 -0.074 0.000 0.956 124 D HN 0.245 nan 8.370 nan 0.000 0.448 125 M N 0.195 119.748 119.600 -0.080 0.000 2.117 125 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 125 M C 2.357 178.687 176.300 0.050 0.000 1.065 125 M CA 1.684 56.946 55.300 -0.064 0.000 1.114 125 M CB -0.495 31.800 32.600 -0.508 0.000 1.361 125 M HN 0.039 nan 8.290 nan 0.000 0.408 126 G N 0.241 109.011 108.800 -0.050 0.000 2.450 126 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 126 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 126 G C 1.621 176.515 174.900 -0.010 0.000 1.130 126 G CA 0.640 45.717 45.100 -0.038 0.000 0.760 126 G HN 0.415 nan 8.290 nan 0.000 0.557 127 R N 0.102 120.593 120.500 -0.014 0.000 2.237 127 R HA 0.002 4.342 4.340 -0.000 0.000 0.219 127 R C 1.637 177.940 176.300 0.005 0.000 1.080 127 R CA 0.822 56.908 56.100 -0.024 0.000 0.995 127 R CB 0.052 30.332 30.300 -0.034 0.000 0.875 127 R HN 0.264 nan 8.270 nan 0.000 0.462 128 E N 0.265 120.508 120.200 0.072 0.000 2.479 128 E HA 0.092 4.442 4.350 -0.000 0.000 0.193 128 E C 0.037 176.665 176.600 0.046 0.000 1.049 128 E CA 0.335 56.773 56.400 0.063 0.000 0.870 128 E CB 0.401 30.169 29.700 0.113 0.000 0.944 128 E HN 0.319 nan 8.360 nan 0.000 0.492 129 I N 2.675 123.287 120.570 0.069 0.000 2.359 129 I HA 0.205 4.375 4.170 -0.000 0.000 0.284 129 I C -2.421 173.694 176.117 -0.003 0.000 1.018 129 I CA -2.369 58.968 61.300 0.062 0.000 1.173 129 I CB 1.519 39.623 38.000 0.173 0.000 1.326 129 I HN -0.339 nan 8.210 nan 0.000 0.462 130 P HA 0.105 nan 4.420 nan 0.000 0.267 130 P C 0.497 177.758 177.300 -0.065 0.000 1.205 130 P CA 0.206 63.230 63.100 -0.127 0.000 0.765 130 P CB 0.887 32.454 31.700 -0.222 0.000 0.828 131 S N 2.152 117.831 115.700 -0.036 0.000 2.383 131 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 131 S C 1.269 175.958 174.600 0.147 0.000 1.030 131 S CA 1.808 60.068 58.200 0.101 0.000 1.002 131 S CB -0.594 62.571 63.200 -0.059 0.000 0.829 131 S HN 0.677 nan 8.310 nan 0.000 0.467 132 D N 0.530 120.869 120.400 -0.103 0.000 2.340 132 D HA 0.263 4.903 4.640 -0.000 0.000 0.220 132 D C 0.286 176.345 176.300 -0.400 0.000 1.039 132 D CA 0.363 54.253 54.000 -0.183 0.000 0.866 132 D CB 0.050 40.677 40.800 -0.288 0.000 0.913 132 D HN 0.276 nan 8.370 nan 0.000 0.523 133 A N 1.018 123.438 122.820 -0.667 0.000 3.330 133 A HA 0.337 4.657 4.320 -0.000 0.000 0.256 133 A C -2.149 174.641 177.584 -1.323 0.000 1.185 133 A CA -0.755 50.399 52.037 -1.472 0.000 0.940 133 A CB 0.770 19.201 19.000 -0.948 0.000 1.397 133 A HN -0.098 nan 8.150 nan 0.000 0.678 134 P HA -0.182 nan 4.420 nan 0.000 0.219 134 P C 1.238 178.331 177.300 -0.345 0.000 1.146 134 P CA 1.536 64.321 63.100 -0.525 0.000 0.808 134 P CB -0.350 31.009 31.700 -0.567 0.000 0.779 135 W N 0.794 122.014 121.300 -0.133 0.000 2.721 135 W HA 0.109 4.769 4.660 -0.000 0.000 0.245 135 W C 1.280 177.750 176.519 -0.081 0.000 1.276 135 W CA 0.357 57.646 57.345 -0.094 0.000 1.342 135 W CB -1.391 28.009 29.460 -0.099 0.000 1.135 135 W HN -0.096 nan 8.180 nan 0.000 0.654 136 K N 0.767 120.974 120.400 -0.321 0.000 2.374 136 K HA 0.326 4.646 4.320 -0.000 0.000 0.196 136 K C 1.000 177.504 176.600 -0.160 0.000 1.023 136 K CA 0.133 56.308 56.287 -0.186 0.000 1.103 136 K CB 0.054 32.403 32.500 -0.253 0.000 0.848 136 K HN 0.091 nan 8.250 nan 0.000 0.528 137 A N 2.364 125.088 122.820 -0.161 0.000 2.531 137 A HA 0.071 4.391 4.320 -0.000 0.000 0.236 137 A C -1.623 175.828 177.584 -0.221 0.000 1.062 137 A CA -0.939 50.998 52.037 -0.167 0.000 0.760 137 A CB 0.064 18.985 19.000 -0.131 0.000 0.995 137 A HN -0.010 nan 8.150 nan 0.000 0.501 138 P HA -0.123 nan 4.420 nan 0.000 0.216 138 P C 0.499 177.602 177.300 -0.328 0.000 1.150 138 P CA 1.238 64.195 63.100 -0.239 0.000 0.843 138 P CB 0.049 31.623 31.700 -0.210 0.000 0.787 139 L N -2.184 118.683 121.223 -0.594 0.000 2.984 139 L HA 0.357 4.697 4.340 -0.000 0.000 0.246 139 L C 1.838 178.318 176.870 -0.650 0.000 1.268 139 L CA -0.314 54.082 54.840 -0.739 0.000 1.054 139 L CB -0.463 40.866 42.059 -1.217 0.000 1.393 139 L HN -0.106 nan 8.230 nan 0.000 0.532 140 A N 0.549 123.164 122.820 -0.342 0.000 1.892 140 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 140 A C 2.183 179.763 177.584 -0.007 0.000 1.188 140 A CA 1.806 53.778 52.037 -0.108 0.000 0.631 140 A CB -0.168 18.819 19.000 -0.023 0.000 0.822 140 A HN 0.516 nan 8.150 nan 0.000 0.447 141 E N -0.959 119.222 120.200 -0.032 0.000 2.047 141 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 141 E C 2.138 178.770 176.600 0.053 0.000 0.987 141 E CA 1.180 57.593 56.400 0.022 0.000 0.799 141 E CB -0.227 29.474 29.700 0.001 0.000 0.752 141 E HN 0.833 nan 8.360 nan 0.000 0.449 142 E N 0.191 120.391 120.200 0.001 0.000 2.058 142 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 142 E C 1.751 178.511 176.600 0.265 0.000 0.997 142 E CA 1.301 57.747 56.400 0.078 0.000 0.801 142 E CB -0.014 29.688 29.700 0.004 0.000 0.746 142 E HN 0.281 nan 8.360 nan 0.000 0.450 143 W N 0.932 122.273 121.300 0.068 0.000 2.436 143 W HA -0.024 4.636 4.660 -0.000 0.000 0.284 143 W C 1.951 178.540 176.519 0.116 0.000 1.225 143 W CA 0.684 58.082 57.345 0.089 0.000 1.271 143 W CB -1.010 28.503 29.460 0.089 0.000 1.114 143 W HN 0.229 nan 8.180 nan 0.000 0.559 144 D N -0.238 120.359 120.400 0.328 0.000 2.269 144 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 144 D C 1.307 177.734 176.300 0.212 0.000 0.963 144 D CA 0.950 55.109 54.000 0.264 0.000 0.864 144 D CB -0.213 40.715 40.800 0.214 0.000 0.936 144 D HN -0.100 nan 8.370 nan 0.000 0.505 145 N N -0.576 118.233 118.700 0.182 0.000 2.398 145 N HA 0.097 4.837 4.740 -0.000 0.000 0.188 145 N C -0.129 175.461 175.510 0.133 0.000 1.122 145 N CA 0.173 53.306 53.050 0.138 0.000 0.866 145 N CB 0.276 38.827 38.487 0.106 0.000 0.970 145 N HN 0.309 nan 8.380 nan 0.000 0.462 146 M N 0.069 119.765 119.600 0.160 0.000 2.456 146 M HA 0.208 4.688 4.480 -0.000 0.000 0.324 146 M C 0.137 176.517 176.300 0.133 0.000 1.124 146 M CA -0.606 54.773 55.300 0.132 0.000 0.959 146 M CB 2.034 34.717 32.600 0.139 0.000 1.692 146 M HN -0.028 nan 8.290 nan 0.000 0.444 147 T N -0.425 114.189 114.554 0.100 0.000 2.849 147 T HA 0.232 4.582 4.350 -0.000 0.000 0.284 147 T C 1.174 175.908 174.700 0.056 0.000 1.004 147 T CA -0.835 61.319 62.100 0.091 0.000 1.021 147 T CB 0.852 69.764 68.868 0.073 0.000 1.013 147 T HN 0.615 nan 8.240 nan 0.000 0.527 148 M N 0.322 119.936 119.600 0.024 0.000 2.202 148 M HA -0.034 4.446 4.480 -0.000 0.000 0.262 148 M C 2.192 178.454 176.300 -0.064 0.000 1.063 148 M CA 1.576 56.847 55.300 -0.048 0.000 1.097 148 M CB -1.312 31.169 32.600 -0.198 0.000 1.382 148 M HN 0.869 nan 8.290 nan 0.000 0.413 149 K N 0.564 120.937 120.400 -0.045 0.000 2.032 149 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 149 K C 1.714 178.294 176.600 -0.033 0.000 1.048 149 K CA 1.681 57.946 56.287 -0.036 0.000 0.927 149 K CB 0.025 32.536 32.500 0.020 0.000 0.712 149 K HN 0.397 nan 8.250 nan 0.000 0.441 150 E N 0.537 120.732 120.200 -0.008 0.000 2.077 150 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 150 E C 2.042 178.631 176.600 -0.018 0.000 0.989 150 E CA 1.128 57.522 56.400 -0.009 0.000 0.800 150 E CB -0.149 29.562 29.700 0.018 0.000 0.746 150 E HN 0.191 nan 8.360 nan 0.000 0.452 151 L N 1.164 122.380 121.223 -0.013 0.000 2.017 151 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 151 L C 2.083 178.937 176.870 -0.028 0.000 1.073 151 L CA 1.581 56.408 54.840 -0.022 0.000 0.745 151 L CB -0.380 41.659 42.059 -0.033 0.000 0.894 151 L HN 0.125 nan 8.230 nan 0.000 0.432 152 L N -0.795 120.400 121.223 -0.048 0.000 2.083 152 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 152 L C 2.233 179.034 176.870 -0.115 0.000 1.083 152 L CA 1.301 56.084 54.840 -0.096 0.000 0.752 152 L CB -0.952 41.009 42.059 -0.163 0.000 0.899 152 L HN 0.289 nan 8.230 nan 0.000 0.433 153 D N 0.368 120.706 120.400 -0.103 0.000 2.144 153 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 153 D C 2.208 178.421 176.300 -0.145 0.000 0.984 153 D CA 1.204 55.130 54.000 -0.124 0.000 0.834 153 D CB -0.001 40.739 40.800 -0.101 0.000 0.955 153 D HN 0.299 nan 8.370 nan 0.000 0.465 154 K N -0.119 120.225 120.400 -0.093 0.000 2.062 154 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 154 K C 2.002 178.583 176.600 -0.031 0.000 1.051 154 K CA 0.374 56.617 56.287 -0.073 0.000 0.941 154 K CB 0.151 32.644 32.500 -0.012 0.000 0.719 154 K HN 0.078 nan 8.250 nan 0.000 0.440 155 L N 0.668 121.897 121.223 0.009 0.000 2.162 155 L HA -0.004 4.336 4.340 -0.000 0.000 0.205 155 L C 0.531 177.496 176.870 0.159 0.000 1.086 155 L CA 0.742 55.645 54.840 0.104 0.000 0.778 155 L CB -0.077 42.041 42.059 0.098 0.000 0.928 155 L HN 0.192 nan 8.230 nan 0.000 0.446 156 C N -0.427 118.877 119.300 0.006 0.000 2.303 156 C HA 0.106 4.566 4.460 -0.000 0.000 0.341 156 C C 1.034 176.025 174.990 0.003 0.000 1.244 156 C CA -0.946 58.062 59.018 -0.017 0.000 1.765 156 C CB -0.874 26.747 27.740 -0.198 0.000 2.379 156 C HN 0.479 nan 8.230 nan 0.000 0.530 157 W N 1.863 123.118 121.300 -0.075 0.000 3.139 157 W HA 0.125 4.785 4.660 -0.000 0.000 0.260 157 W C 1.429 177.924 176.519 -0.040 0.000 1.312 157 W CA 0.128 57.446 57.345 -0.046 0.000 1.606 157 W CB -0.125 29.320 29.460 -0.026 0.000 1.118 157 W HN 0.675 nan 8.180 nan 0.000 0.675 158 T N -3.521 111.103 114.554 0.117 0.000 2.887 158 T HA 0.298 4.648 4.350 -0.000 0.000 0.288 158 T C 0.839 175.531 174.700 -0.014 0.000 1.021 158 T CA -0.633 61.505 62.100 0.063 0.000 1.000 158 T CB 2.605 71.532 68.868 0.100 0.000 1.034 158 T HN -0.224 nan 8.240 nan 0.000 0.467 159 E N 1.146 121.342 120.200 -0.007 0.000 2.110 159 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 159 E C 2.159 178.746 176.600 -0.023 0.000 0.988 159 E CA 1.264 57.646 56.400 -0.029 0.000 0.804 159 E CB -0.446 29.248 29.700 -0.011 0.000 0.745 159 E HN 0.746 nan 8.360 nan 0.000 0.458 160 S N 0.656 116.378 115.700 0.037 0.000 2.359 160 S HA -0.220 4.250 4.470 -0.000 0.000 0.223 160 S C 2.098 176.710 174.600 0.020 0.000 1.039 160 S CA 1.790 60.061 58.200 0.118 0.000 1.042 160 S CB -0.144 63.200 63.200 0.241 0.000 0.915 160 S HN 0.305 nan 8.310 nan 0.000 0.439 161 A N 1.209 123.918 122.820 -0.186 0.000 1.902 161 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 161 A C 2.200 179.427 177.584 -0.595 0.000 1.181 161 A CA 1.869 53.468 52.037 -0.729 0.000 0.623 161 A CB -0.769 17.848 19.000 -0.638 0.000 0.818 161 A HN 0.655 nan 8.150 nan 0.000 0.443 162 K N -0.561 119.614 120.400 -0.374 0.000 2.057 162 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 162 K C 2.261 178.703 176.600 -0.264 0.000 1.049 162 K CA 1.758 57.838 56.287 -0.344 0.000 0.931 162 K CB -0.182 32.190 32.500 -0.214 0.000 0.714 162 K HN 0.644 nan 8.250 nan 0.000 0.440 163 Q N 0.253 119.962 119.800 -0.152 0.000 2.079 163 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 163 Q C 2.090 178.072 176.000 -0.030 0.000 0.974 163 Q CA 1.294 57.064 55.803 -0.055 0.000 0.840 163 Q CB -0.076 28.673 28.738 0.018 0.000 0.898 163 Q HN 0.215 nan 8.270 nan 0.000 0.430 164 L N 0.393 121.583 121.223 -0.054 0.000 2.109 164 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 164 L C 2.102 178.941 176.870 -0.051 0.000 1.086 164 L CA 1.793 56.655 54.840 0.036 0.000 0.760 164 L CB -0.707 41.428 42.059 0.126 0.000 0.910 164 L HN 0.125 nan 8.230 nan 0.000 0.437 165 A N -1.479 121.086 122.820 -0.425 0.000 1.908 165 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 165 A C 2.261 179.760 177.584 -0.143 0.000 1.181 165 A CA 2.323 54.015 52.037 -0.574 0.000 0.627 165 A CB -1.186 16.976 19.000 -1.395 0.000 0.818 165 A HN 0.498 nan 8.150 nan 0.000 0.445 166 T N 0.069 114.528 114.554 -0.158 0.000 2.708 166 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 166 T C 1.871 176.570 174.700 -0.002 0.000 1.037 166 T CA 1.355 63.401 62.100 -0.090 0.000 1.146 166 T CB -0.409 68.412 68.868 -0.078 0.000 0.865 166 T HN 0.402 nan 8.240 nan 0.000 0.435 167 L N 0.228 121.495 121.223 0.074 0.000 2.012 167 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 167 L C 2.243 179.221 176.870 0.180 0.000 1.073 167 L CA 1.623 56.547 54.840 0.141 0.000 0.748 167 L CB -0.410 41.771 42.059 0.203 0.000 0.891 167 L HN 0.220 nan 8.230 nan 0.000 0.431 168 F N -0.248 119.768 119.950 0.109 0.000 2.091 168 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 168 F C 2.114 178.012 175.800 0.163 0.000 1.103 168 F CA 2.151 60.273 58.000 0.203 0.000 1.228 168 F CB -0.686 38.552 39.000 0.396 0.000 0.984 168 F HN -0.118 nan 8.300 nan 0.000 0.477 169 V N 1.050 120.904 119.914 -0.100 0.000 2.295 169 V HA -0.363 3.757 4.120 -0.000 0.000 0.246 169 V C 2.055 178.004 176.094 -0.242 0.000 1.049 169 V CA 2.469 64.531 62.300 -0.397 0.000 1.024 169 V CB -1.092 30.370 31.823 -0.601 0.000 0.648 169 V HN 0.423 nan 8.190 nan 0.000 0.447 170 N N 0.067 118.676 118.700 -0.151 0.000 2.104 170 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 170 N C 1.763 177.206 175.510 -0.113 0.000 1.024 170 N CA 1.330 54.309 53.050 -0.118 0.000 0.853 170 N CB -0.225 38.240 38.487 -0.036 0.000 1.008 170 N HN 0.335 nan 8.380 nan 0.000 0.424 171 L N 0.759 121.943 121.223 -0.065 0.000 2.109 171 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 171 L C 2.346 179.188 176.870 -0.047 0.000 1.086 171 L CA 1.370 56.182 54.840 -0.046 0.000 0.760 171 L CB -0.771 41.265 42.059 -0.038 0.000 0.910 171 L HN 0.252 nan 8.230 nan 0.000 0.437 172 C N -1.225 118.002 119.300 -0.122 0.000 2.446 172 C HA -0.017 4.443 4.460 -0.000 0.000 0.277 172 C C 2.212 177.202 174.990 -0.000 0.000 1.275 172 C CA 1.141 60.124 59.018 -0.058 0.000 1.727 172 C CB -0.534 27.077 27.740 -0.215 0.000 2.010 172 C HN 0.546 nan 8.230 nan 0.000 0.486 173 V N -1.672 118.167 119.914 -0.125 0.000 3.199 173 V HA 0.327 4.447 4.120 -0.000 0.000 0.331 173 V C 0.701 176.622 176.094 -0.287 0.000 1.446 173 V CA 0.952 63.149 62.300 -0.173 0.000 1.120 173 V CB -1.205 30.653 31.823 0.058 0.000 1.051 173 V HN 0.599 nan 8.190 nan 0.000 0.495 174 T N -1.442 112.862 114.554 -0.416 0.000 3.760 174 T HA -0.081 4.269 4.350 -0.000 0.000 0.366 174 T C 0.130 174.662 174.700 -0.279 0.000 0.761 174 T CA 1.360 63.223 62.100 -0.396 0.000 1.887 174 T CB -2.550 65.973 68.868 -0.576 0.000 1.811 174 T HN 2.464 nan 8.240 nan 0.000 0.749 175 A N -0.275 122.367 122.820 -0.297 0.000 2.587 175 A HA 0.724 5.044 4.320 -0.000 0.000 0.293 175 A C -0.413 176.954 177.584 -0.362 0.000 1.087 175 A CA -1.065 50.725 52.037 -0.413 0.000 0.692 175 A CB 1.236 19.780 19.000 -0.760 0.000 1.291 175 A HN 0.348 nan 8.150 nan 0.000 0.407 176 E N 0.544 120.486 120.200 -0.429 0.000 2.373 176 E HA 0.236 4.586 4.350 -0.000 0.000 0.263 176 E C 1.250 177.547 176.600 -0.504 0.000 1.073 176 E CA 0.530 56.650 56.400 -0.467 0.000 0.894 176 E CB 0.850 30.094 29.700 -0.760 0.000 1.008 176 E HN 0.804 nan 8.360 nan 0.000 0.420 177 T N -1.276 113.058 114.554 -0.366 0.000 2.833 177 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 177 T C 1.441 176.019 174.700 -0.203 0.000 1.054 177 T CA 1.672 63.609 62.100 -0.272 0.000 1.135 177 T CB -0.388 68.370 68.868 -0.183 0.000 0.869 177 T HN 0.624 nan 8.240 nan 0.000 0.466 178 H N 0.573 119.582 119.070 -0.101 0.000 2.555 178 H HA 0.260 4.816 4.556 -0.000 0.000 0.269 178 H C 1.476 176.774 175.328 -0.051 0.000 0.988 178 H CA 0.769 56.778 56.048 -0.065 0.000 1.178 178 H CB -0.190 29.534 29.762 -0.062 0.000 1.373 178 H HN 0.503 nan 8.280 nan 0.000 0.588 179 E N 1.333 121.325 120.200 -0.346 0.000 2.250 179 E HA 0.043 4.393 4.350 -0.000 0.000 0.192 179 E C 0.775 177.333 176.600 -0.070 0.000 0.986 179 E CA 0.448 56.726 56.400 -0.204 0.000 0.849 179 E CB 0.796 30.221 29.700 -0.459 0.000 0.797 179 E HN 0.361 nan 8.360 nan 0.000 0.482 180 V N -1.040 118.828 119.914 -0.076 0.000 2.667 180 V HA 0.424 4.544 4.120 -0.000 0.000 0.308 180 V C -0.023 176.209 176.094 0.230 0.000 1.048 180 V CA -1.163 61.207 62.300 0.116 0.000 0.928 180 V CB 1.844 33.784 31.823 0.195 0.000 1.004 180 V HN -0.029 nan 8.190 nan 0.000 0.444 181 S N 3.306 119.220 115.700 0.355 0.000 2.549 181 S HA 0.447 4.917 4.470 -0.000 0.000 0.286 181 S C 1.432 176.284 174.600 0.419 0.000 1.314 181 S CA 0.198 58.620 58.200 0.369 0.000 1.062 181 S CB 0.971 64.422 63.200 0.418 0.000 0.865 181 S HN 1.769 nan 8.310 nan 0.000 0.498 182 A N 4.812 127.810 122.820 0.297 0.000 1.902 182 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 182 A C 2.019 179.782 177.584 0.298 0.000 1.181 182 A CA 1.554 53.739 52.037 0.246 0.000 0.623 182 A CB -0.920 18.151 19.000 0.119 0.000 0.818 182 A HN 0.957 nan 8.150 nan 0.000 0.443 183 L N -1.383 120.062 121.223 0.369 0.000 2.012 183 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 183 L C 2.230 179.335 176.870 0.391 0.000 1.073 183 L CA 2.595 57.682 54.840 0.412 0.000 0.748 183 L CB -0.838 41.462 42.059 0.402 0.000 0.891 183 L HN 0.663 nan 8.230 nan 0.000 0.431 184 W N -0.637 120.829 121.300 0.277 0.000 2.358 184 W HA -0.278 4.382 4.660 -0.000 0.000 0.303 184 W C 2.350 179.133 176.519 0.441 0.000 1.208 184 W CA 1.885 59.412 57.345 0.305 0.000 1.274 184 W CB -0.663 28.958 29.460 0.267 0.000 1.138 184 W HN 0.289 nan 8.180 nan 0.000 0.515 185 F N 0.794 120.807 119.950 0.106 0.000 2.134 185 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 185 F C 2.098 177.810 175.800 -0.147 0.000 1.097 185 F CA 2.173 60.041 58.000 -0.221 0.000 1.264 185 F CB -0.678 38.329 39.000 0.011 0.000 1.001 185 F HN -0.170 nan 8.300 nan 0.000 0.479 186 L N -1.305 119.926 121.223 0.013 0.000 2.083 186 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 186 L C 2.302 179.090 176.870 -0.138 0.000 1.083 186 L CA 1.629 56.416 54.840 -0.088 0.000 0.752 186 L CB -1.026 41.009 42.059 -0.040 0.000 0.899 186 L HN 0.447 nan 8.230 nan 0.000 0.433 187 W N 0.123 121.291 121.300 -0.221 0.000 2.355 187 W HA -0.315 4.345 4.660 -0.000 0.000 0.309 187 W C 2.631 178.922 176.519 -0.379 0.000 1.206 187 W CA 1.600 58.795 57.345 -0.250 0.000 1.284 187 W CB -0.647 28.697 29.460 -0.193 0.000 1.145 187 W HN 0.113 nan 8.180 nan 0.000 0.502 188 Y N 0.596 120.419 120.300 -0.796 0.000 2.128 188 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 188 Y C 2.365 177.683 175.900 -0.970 0.000 1.154 188 Y CA 3.051 60.467 58.100 -1.141 0.000 1.149 188 Y CB -0.789 36.957 38.460 -1.189 0.000 0.976 188 Y HN -0.138 nan 8.280 nan 0.000 0.505 189 V N 0.964 120.443 119.914 -0.726 0.000 2.307 189 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 189 V C 2.497 178.262 176.094 -0.549 0.000 1.045 189 V CA 2.192 64.153 62.300 -0.565 0.000 1.024 189 V CB -0.688 30.899 31.823 -0.394 0.000 0.651 189 V HN 0.322 nan 8.190 nan 0.000 0.449 190 K N 1.141 121.235 120.400 -0.509 0.000 2.057 190 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 190 K C 2.138 178.408 176.600 -0.550 0.000 1.049 190 K CA 2.289 58.319 56.287 -0.429 0.000 0.931 190 K CB -0.143 32.173 32.500 -0.306 0.000 0.714 190 K HN 0.714 nan 8.250 nan 0.000 0.440 191 Q N -0.829 118.488 119.800 -0.804 0.000 2.472 191 Q HA 0.011 4.351 4.340 -0.000 0.000 0.208 191 Q C 1.451 176.950 176.000 -0.836 0.000 0.958 191 Q CA 0.926 56.255 55.803 -0.790 0.000 0.932 191 Q CB -0.446 27.647 28.738 -1.074 0.000 1.007 191 Q HN 0.141 nan 8.270 nan 0.000 0.508 192 C N 0.326 118.991 119.300 -1.057 0.000 2.754 192 C HA 0.603 5.063 4.460 -0.000 0.000 0.276 192 C C 1.530 175.816 174.990 -1.174 0.000 1.264 192 C CA 0.211 58.261 59.018 -1.613 0.000 1.700 192 C CB -0.955 25.903 27.740 -1.471 0.000 1.885 192 C HN 0.841 nan 8.230 nan 0.000 0.607 193 G N 0.088 108.507 108.800 -0.635 0.000 2.159 193 G HA2 0.273 4.233 3.960 -0.000 0.000 0.227 193 G HA3 0.273 4.233 3.960 -0.000 0.000 0.227 193 G C 0.465 175.215 174.900 -0.249 0.000 0.986 193 G CA 0.020 44.917 45.100 -0.338 0.000 0.651 193 G HN 1.641 nan 8.290 nan 0.000 0.523 194 G N -2.106 106.521 108.800 -0.287 0.000 2.592 194 G HA2 0.330 4.290 3.960 -0.000 0.000 0.684 194 G HA3 0.330 4.290 3.960 -0.000 0.000 0.684 194 G C 1.014 175.854 174.900 -0.100 0.000 1.291 194 G CA 0.961 45.954 45.100 -0.179 0.000 0.891 194 G HN 1.846 nan 8.290 nan 0.000 0.544 195 T N -2.984 111.552 114.554 -0.031 0.000 2.708 195 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 195 T C 2.345 177.032 174.700 -0.021 0.000 1.037 195 T CA 2.942 65.066 62.100 0.040 0.000 1.146 195 T CB -0.789 68.125 68.868 0.077 0.000 0.865 195 T HN 0.950 nan 8.240 nan 0.000 0.435 196 T N 1.308 115.857 114.554 -0.008 0.000 2.708 196 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 196 T C 2.129 176.804 174.700 -0.043 0.000 1.037 196 T CA 1.466 63.558 62.100 -0.014 0.000 1.146 196 T CB -0.318 68.583 68.868 0.054 0.000 0.865 196 T HN 0.305 nan 8.240 nan 0.000 0.435 197 R N 0.961 121.450 120.500 -0.017 0.000 2.081 197 R HA 0.123 4.463 4.340 -0.000 0.000 0.235 197 R C 2.200 178.552 176.300 0.087 0.000 1.131 197 R CA 1.214 57.335 56.100 0.034 0.000 0.960 197 R CB -0.837 29.477 30.300 0.024 0.000 0.856 197 R HN 0.457 nan 8.270 nan 0.000 0.436 198 I N 0.309 120.894 120.570 0.025 0.000 2.439 198 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 198 I C 1.687 177.860 176.117 0.094 0.000 1.139 198 I CA 1.172 62.524 61.300 0.087 0.000 1.438 198 I CB 0.067 38.067 38.000 0.001 0.000 1.085 198 I HN 0.347 nan 8.210 nan 0.000 0.427 199 I N -2.485 118.098 120.570 0.023 0.000 3.226 199 I HA 0.123 4.293 4.170 -0.000 0.000 0.277 199 I C 0.809 176.845 176.117 -0.135 0.000 1.243 199 I CA 0.004 61.266 61.300 -0.064 0.000 1.459 199 I CB -0.115 37.744 38.000 -0.235 0.000 1.093 199 I HN -0.091 nan 8.210 nan 0.000 0.453 200 S N 1.263 116.897 115.700 -0.110 0.000 2.584 200 S HA 0.276 4.746 4.470 -0.000 0.000 0.273 200 S C 0.926 175.486 174.600 -0.065 0.000 1.311 200 S CA -0.292 57.847 58.200 -0.101 0.000 1.034 200 S CB 1.688 64.842 63.200 -0.077 0.000 0.939 200 S HN 0.305 nan 8.310 nan 0.000 0.513 201 T N 2.208 116.724 114.554 -0.064 0.000 2.896 201 T HA 0.025 4.375 4.350 -0.000 0.000 0.238 201 T C 0.595 175.260 174.700 -0.059 0.000 1.045 201 T CA 0.639 62.695 62.100 -0.074 0.000 1.248 201 T CB -0.360 68.467 68.868 -0.069 0.000 0.955 201 T HN 0.608 nan 8.240 nan 0.000 0.416 202 T N 3.575 118.102 114.554 -0.044 0.000 2.831 202 T HA 0.106 4.456 4.350 -0.000 0.000 0.291 202 T C 0.709 175.394 174.700 -0.024 0.000 0.981 202 T CA 0.401 62.483 62.100 -0.030 0.000 1.174 202 T CB -0.166 68.691 68.868 -0.017 0.000 0.929 202 T HN 0.521 nan 8.240 nan 0.000 0.532 203 N N 0.781 119.469 118.700 -0.020 0.000 2.800 203 N HA -0.146 4.594 4.740 -0.000 0.000 0.250 203 N C 0.160 175.674 175.510 0.006 0.000 1.078 203 N CA 1.439 54.486 53.050 -0.006 0.000 0.804 203 N CB -1.068 37.422 38.487 0.004 0.000 1.135 203 N HN 0.943 nan 8.380 nan 0.000 0.565 204 G N -3.027 105.767 108.800 -0.008 0.000 3.086 204 G HA2 0.573 4.533 3.960 -0.000 0.000 0.282 204 G HA3 0.573 4.533 3.960 -0.000 0.000 0.282 204 G C 0.951 175.845 174.900 -0.011 0.000 1.343 204 G CA -0.044 45.074 45.100 0.028 0.000 0.895 204 G HN 0.294 nan 8.290 nan 0.000 0.557 205 G N -1.007 107.825 108.800 0.053 0.000 2.498 205 G HA2 0.015 3.975 3.960 -0.000 0.000 0.219 205 G HA3 0.015 3.975 3.960 -0.000 0.000 0.219 205 G C 1.137 175.951 174.900 -0.143 0.000 1.119 205 G CA 0.882 45.917 45.100 -0.108 0.000 0.766 205 G HN 0.394 nan 8.290 nan 0.000 0.552 206 Q N -0.454 119.267 119.800 -0.132 0.000 2.188 206 Q HA 0.262 4.602 4.340 -0.000 0.000 0.212 206 Q C 1.660 177.574 176.000 -0.143 0.000 0.846 206 Q CA -0.128 55.538 55.803 -0.228 0.000 0.989 206 Q CB 0.708 29.211 28.738 -0.391 0.000 1.114 206 Q HN 0.622 nan 8.270 nan 0.000 0.488 207 E N 0.461 120.592 120.200 -0.116 0.000 2.106 207 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 207 E C -0.052 176.473 176.600 -0.124 0.000 0.984 207 E CA 0.764 57.102 56.400 -0.104 0.000 0.806 207 E CB 0.432 30.072 29.700 -0.100 0.000 0.750 207 E HN 0.148 nan 8.360 nan 0.000 0.458 208 R N -0.875 119.526 120.500 -0.165 0.000 2.799 208 R HA 0.460 4.800 4.340 -0.000 0.000 0.270 208 R C -1.098 174.968 176.300 -0.389 0.000 1.010 208 R CA -0.742 55.174 56.100 -0.306 0.000 0.916 208 R CB 2.010 32.113 30.300 -0.329 0.000 1.228 208 R HN -0.177 nan 8.270 nan 0.000 0.469 209 K N 0.579 120.585 120.400 -0.656 0.000 2.444 209 K HA 0.443 4.763 4.320 -0.000 0.000 0.252 209 K C -1.148 175.127 176.600 -0.542 0.000 0.993 209 K CA -0.708 55.209 56.287 -0.617 0.000 0.847 209 K CB 1.563 33.761 32.500 -0.503 0.000 1.340 209 K HN 0.240 nan 8.250 nan 0.000 0.446 210 F N 1.124 121.009 119.950 -0.108 0.000 2.410 210 F HA 0.149 4.676 4.527 -0.000 0.000 0.348 210 F C 0.463 176.313 175.800 0.084 0.000 1.106 210 F CA -0.932 57.052 58.000 -0.027 0.000 1.163 210 F CB 0.954 39.912 39.000 -0.070 0.000 1.129 210 F HN 0.012 nan 8.300 nan 0.000 0.516 211 V N 3.865 123.977 119.914 0.331 0.000 2.493 211 V HA 0.188 4.308 4.120 -0.000 0.000 0.292 211 V C 0.967 176.948 176.094 -0.189 0.000 1.016 211 V CA 1.293 63.700 62.300 0.179 0.000 1.097 211 V CB 0.082 31.993 31.823 0.146 0.000 0.947 211 V HN 1.115 nan 8.190 nan 0.000 0.479 212 G N 3.307 111.580 108.800 -0.878 0.000 2.199 212 G HA2 0.135 4.095 3.960 -0.000 0.000 0.254 212 G HA3 0.135 4.095 3.960 -0.000 0.000 0.254 212 G C 0.792 175.166 174.900 -0.877 0.000 0.982 212 G CA -0.055 44.255 45.100 -1.316 0.000 0.632 212 G HN 2.440 nan 8.290 nan 0.000 0.529 213 G N -1.526 107.042 108.800 -0.387 0.000 2.650 213 G HA2 0.377 4.337 3.960 -0.000 0.000 0.686 213 G HA3 0.377 4.337 3.960 -0.000 0.000 0.686 213 G C 0.793 175.699 174.900 0.010 0.000 1.205 213 G CA 0.839 45.910 45.100 -0.048 0.000 0.781 213 G HN 1.869 nan 8.290 nan 0.000 0.648 214 S N 0.004 115.765 115.700 0.100 0.000 2.453 214 S HA 0.138 4.608 4.470 -0.000 0.000 0.231 214 S C 2.551 177.137 174.600 -0.024 0.000 1.005 214 S CA 1.607 59.866 58.200 0.098 0.000 0.949 214 S CB -0.045 63.270 63.200 0.192 0.000 0.774 214 S HN 2.182 nan 8.310 nan 0.000 0.510 215 G N 1.454 110.252 108.800 -0.003 0.000 2.462 215 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 215 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 215 G C 1.448 176.317 174.900 -0.052 0.000 1.121 215 G CA 0.733 45.834 45.100 0.002 0.000 0.758 215 G HN 0.632 nan 8.290 nan 0.000 0.559 216 Q N -0.264 119.470 119.800 -0.109 0.000 2.226 216 Q HA -0.061 4.279 4.340 -0.000 0.000 0.204 216 Q C 2.761 178.663 176.000 -0.164 0.000 0.975 216 Q CA 1.011 56.729 55.803 -0.141 0.000 0.866 216 Q CB -0.176 28.453 28.738 -0.183 0.000 0.915 216 Q HN 0.441 nan 8.270 nan 0.000 0.440 217 V N 0.275 120.063 119.914 -0.210 0.000 2.233 217 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 217 V C 2.134 178.161 176.094 -0.112 0.000 1.050 217 V CA 2.176 64.354 62.300 -0.203 0.000 1.010 217 V CB -0.632 31.052 31.823 -0.232 0.000 0.637 217 V HN 0.299 nan 8.190 nan 0.000 0.444 218 S N -0.758 114.901 115.700 -0.069 0.000 2.383 218 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 218 S C 1.912 176.489 174.600 -0.038 0.000 1.026 218 S CA 1.430 59.609 58.200 -0.036 0.000 0.981 218 S CB -0.265 62.937 63.200 0.002 0.000 0.818 218 S HN 0.683 nan 8.310 nan 0.000 0.472 219 E N 1.063 121.239 120.200 -0.040 0.000 2.051 219 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 219 E C 2.349 178.917 176.600 -0.053 0.000 0.991 219 E CA 0.883 57.261 56.400 -0.037 0.000 0.799 219 E CB -0.080 29.598 29.700 -0.038 0.000 0.748 219 E HN 0.354 nan 8.360 nan 0.000 0.449 220 R N 0.208 120.665 120.500 -0.072 0.000 2.115 220 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 220 R C 2.308 178.565 176.300 -0.072 0.000 1.100 220 R CA 0.818 56.874 56.100 -0.074 0.000 0.980 220 R CB -0.155 30.091 30.300 -0.090 0.000 0.875 220 R HN 0.223 nan 8.270 nan 0.000 0.445 221 I N 0.559 121.085 120.570 -0.073 0.000 2.353 221 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 221 I C 2.635 178.703 176.117 -0.083 0.000 1.119 221 I CA 1.019 62.274 61.300 -0.076 0.000 1.417 221 I CB -0.158 37.801 38.000 -0.067 0.000 1.078 221 I HN 0.189 nan 8.210 nan 0.000 0.421 222 M N 0.884 120.445 119.600 -0.066 0.000 2.159 222 M HA -0.244 4.236 4.480 -0.000 0.000 0.263 222 M C 1.638 177.899 176.300 -0.065 0.000 1.063 222 M CA 1.948 57.211 55.300 -0.062 0.000 1.110 222 M CB -0.199 32.377 32.600 -0.041 0.000 1.374 222 M HN 0.138 nan 8.290 nan 0.000 0.411 223 D N 0.780 121.145 120.400 -0.059 0.000 2.104 223 D HA -0.166 4.473 4.640 -0.000 0.000 0.194 223 D C 2.055 178.317 176.300 -0.065 0.000 0.994 223 D CA 1.488 55.456 54.000 -0.053 0.000 0.830 223 D CB -0.520 40.252 40.800 -0.046 0.000 0.959 223 D HN 0.431 nan 8.370 nan 0.000 0.452 224 L N 0.093 121.266 121.223 -0.082 0.000 2.046 224 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 224 L C 2.447 179.208 176.870 -0.182 0.000 1.077 224 L CA 0.724 55.502 54.840 -0.105 0.000 0.747 224 L CB -0.270 41.727 42.059 -0.104 0.000 0.896 224 L HN 0.028 nan 8.230 nan 0.000 0.432 225 L N -1.139 119.959 121.223 -0.208 0.000 2.418 225 L HA 0.109 4.449 4.340 -0.000 0.000 0.218 225 L C 1.671 178.454 176.870 -0.144 0.000 1.125 225 L CA 0.429 55.105 54.840 -0.273 0.000 0.835 225 L CB -0.717 41.207 42.059 -0.225 0.000 0.953 225 L HN 0.459 nan 8.230 nan 0.000 0.454 226 G N 1.885 110.630 108.800 -0.090 0.000 2.591 226 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.298 226 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.298 226 G C 0.506 175.386 174.900 -0.033 0.000 1.195 226 G CA 0.519 45.590 45.100 -0.047 0.000 0.989 226 G HN 0.508 nan 8.290 nan 0.000 0.551 227 D N 0.966 121.358 120.400 -0.014 0.000 2.378 227 D HA 0.036 4.676 4.640 -0.000 0.000 0.227 227 D C 2.062 178.365 176.300 0.005 0.000 1.012 227 D CA 0.872 54.873 54.000 0.001 0.000 0.905 227 D CB -0.337 40.472 40.800 0.015 0.000 0.895 227 D HN 0.642 nan 8.370 nan 0.000 0.532 228 R N -0.069 120.424 120.500 -0.012 0.000 2.189 228 R HA 0.080 4.420 4.340 -0.000 0.000 0.218 228 R C 0.279 176.558 176.300 -0.034 0.000 1.074 228 R CA 0.335 56.428 56.100 -0.011 0.000 0.991 228 R CB 0.201 30.485 30.300 -0.025 0.000 0.883 228 R HN 0.100 nan 8.270 nan 0.000 0.457 229 V N 2.959 122.847 119.914 -0.043 0.000 2.406 229 V HA 0.120 4.240 4.120 -0.000 0.000 0.272 229 V C -0.101 175.969 176.094 -0.041 0.000 1.043 229 V CA -0.399 61.869 62.300 -0.052 0.000 0.915 229 V CB 1.351 33.144 31.823 -0.050 0.000 0.988 229 V HN 0.043 nan 8.190 nan 0.000 0.466 230 K N 6.487 126.849 120.400 -0.063 0.000 2.389 230 K HA 0.543 4.863 4.320 -0.000 0.000 0.261 230 K C -0.722 175.845 176.600 -0.055 0.000 1.014 230 K CA -0.327 55.933 56.287 -0.044 0.000 0.920 230 K CB 1.892 34.358 32.500 -0.058 0.000 1.149 230 K HN 0.501 nan 8.250 nan 0.000 0.444 231 L N 1.639 122.842 121.223 -0.033 0.000 2.399 231 L HA 0.188 4.528 4.340 -0.000 0.000 0.266 231 L C 0.696 177.542 176.870 -0.040 0.000 1.114 231 L CA -0.220 54.596 54.840 -0.040 0.000 0.804 231 L CB 0.259 42.304 42.059 -0.023 0.000 1.146 231 L HN 0.697 nan 8.230 nan 0.000 0.451 232 E N 0.612 120.774 120.200 -0.064 0.000 2.389 232 E HA -0.227 4.123 4.350 -0.000 0.000 0.243 232 E C -0.488 176.075 176.600 -0.062 0.000 1.154 232 E CA 0.276 56.637 56.400 -0.065 0.000 0.723 232 E CB -0.851 28.832 29.700 -0.027 0.000 1.261 232 E HN 0.385 nan 8.360 nan 0.000 0.390 233 R N 0.228 120.673 120.500 -0.091 0.000 2.724 233 R HA 0.245 4.585 4.340 -0.000 0.000 0.284 233 R C -2.702 173.522 176.300 -0.127 0.000 1.481 233 R CA -1.956 54.098 56.100 -0.077 0.000 1.652 233 R CB 0.598 30.856 30.300 -0.071 0.000 1.175 233 R HN -0.010 nan 8.270 nan 0.000 0.613 234 P HA 0.018 nan 4.420 nan 0.000 0.271 234 P C -0.295 176.965 177.300 -0.066 0.000 1.226 234 P CA -0.176 62.819 63.100 -0.174 0.000 0.765 234 P CB 0.936 32.543 31.700 -0.155 0.000 0.835 235 V N 5.591 125.475 119.914 -0.050 0.000 2.555 235 V HA 0.049 4.169 4.120 -0.000 0.000 0.286 235 V C 1.724 177.830 176.094 0.021 0.000 1.044 235 V CA 0.458 62.748 62.300 -0.015 0.000 1.026 235 V CB 0.264 32.068 31.823 -0.031 0.000 0.981 235 V HN 0.543 nan 8.190 nan 0.000 0.480 236 I N 1.760 122.353 120.570 0.040 0.000 4.323 236 I HA 0.447 4.617 4.170 -0.000 0.000 0.328 236 I C -0.014 176.188 176.117 0.143 0.000 1.310 236 I CA 0.102 61.454 61.300 0.087 0.000 1.186 236 I CB 0.636 38.664 38.000 0.045 0.000 1.130 236 I HN 0.501 nan 8.210 nan 0.000 0.411 237 Y N 1.897 122.140 120.300 -0.094 0.000 2.436 237 Y HA 0.678 5.228 4.550 -0.000 0.000 0.327 237 Y C -1.887 173.932 175.900 -0.136 0.000 1.138 237 Y CA -1.510 56.517 58.100 -0.121 0.000 1.042 237 Y CB 1.635 40.053 38.460 -0.069 0.000 1.302 237 Y HN -0.013 nan 8.280 nan 0.000 0.439 238 I N 5.787 125.932 120.570 -0.709 0.000 2.447 238 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 238 I C -1.377 174.347 176.117 -0.655 0.000 1.023 238 I CA -0.697 60.278 61.300 -0.541 0.000 1.083 238 I CB 1.830 39.665 38.000 -0.275 0.000 1.245 238 I HN 0.522 nan 8.210 nan 0.000 0.434 239 D N 6.041 126.125 120.400 -0.526 0.000 2.425 239 D HA 0.277 4.917 4.640 -0.000 0.000 0.240 239 D C -0.248 175.984 176.300 -0.113 0.000 1.080 239 D CA -0.197 53.601 54.000 -0.337 0.000 0.836 239 D CB 1.592 42.242 40.800 -0.251 0.000 1.125 239 D HN 0.497 nan 8.370 nan 0.000 0.525 240 Q N 1.772 121.544 119.800 -0.046 0.000 2.172 240 Q HA 0.077 4.417 4.340 -0.000 0.000 0.217 240 Q C 1.158 177.157 176.000 -0.001 0.000 0.832 240 Q CA 0.002 55.797 55.803 -0.014 0.000 1.010 240 Q CB 0.804 29.548 28.738 0.009 0.000 1.133 240 Q HN 0.581 nan 8.270 nan 0.000 0.489 241 T N -2.468 112.090 114.554 0.007 0.000 3.055 241 T HA 0.095 4.445 4.350 -0.000 0.000 0.265 241 T C 0.941 175.648 174.700 0.012 0.000 1.111 241 T CA 0.272 62.384 62.100 0.019 0.000 1.118 241 T CB 0.271 69.160 68.868 0.036 0.000 0.909 241 T HN 0.076 nan 8.240 nan 0.000 0.501 242 R N 0.181 120.684 120.500 0.004 0.000 2.944 242 R HA 0.478 4.818 4.340 -0.000 0.000 0.233 242 R C 1.380 177.671 176.300 -0.015 0.000 1.346 242 R CA -0.794 55.306 56.100 -0.000 0.000 1.082 242 R CB 0.802 31.105 30.300 0.006 0.000 1.434 242 R HN 0.092 nan 8.270 nan 0.000 0.510 243 E N 0.731 120.921 120.200 -0.017 0.000 2.058 243 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 243 E C -0.270 176.298 176.600 -0.052 0.000 0.997 243 E CA 1.244 57.626 56.400 -0.030 0.000 0.801 243 E CB 0.169 29.855 29.700 -0.024 0.000 0.746 243 E HN 0.285 nan 8.360 nan 0.000 0.450 244 N N 0.128 118.802 118.700 -0.044 0.000 2.417 244 N HA 0.180 4.920 4.740 -0.000 0.000 0.300 244 N C -0.964 174.520 175.510 -0.043 0.000 1.102 244 N CA -0.398 52.618 53.050 -0.056 0.000 0.886 244 N CB 2.067 40.532 38.487 -0.037 0.000 1.203 244 N HN -0.153 nan 8.380 nan 0.000 0.496 245 V N 2.101 121.982 119.914 -0.054 0.000 2.637 245 V HA 0.164 4.284 4.120 -0.000 0.000 0.296 245 V C 0.473 176.560 176.094 -0.012 0.000 1.046 245 V CA -0.237 62.042 62.300 -0.035 0.000 1.066 245 V CB 0.132 31.937 31.823 -0.031 0.000 0.968 245 V HN 0.365 nan 8.190 nan 0.000 0.483 246 L N 5.508 126.719 121.223 -0.020 0.000 2.296 246 L HA 0.587 4.927 4.340 -0.000 0.000 0.286 246 L C -0.626 176.237 176.870 -0.011 0.000 1.023 246 L CA -0.556 54.289 54.840 0.009 0.000 0.812 246 L CB 1.800 43.878 42.059 0.032 0.000 1.223 246 L HN 0.371 nan 8.230 nan 0.000 0.421 247 V N 2.753 122.704 119.914 0.062 0.000 2.378 247 V HA 0.350 4.470 4.120 -0.000 0.000 0.288 247 V C -0.212 175.978 176.094 0.160 0.000 1.016 247 V CA -0.619 61.719 62.300 0.064 0.000 0.840 247 V CB 1.726 33.583 31.823 0.056 0.000 0.994 247 V HN 0.731 nan 8.190 nan 0.000 0.431 248 E N 2.936 123.227 120.200 0.153 0.000 2.191 248 E HA 0.658 5.008 4.350 -0.000 0.000 0.274 248 E C -0.258 176.415 176.600 0.121 0.000 0.948 248 E CA -0.460 56.047 56.400 0.178 0.000 0.802 248 E CB 1.813 31.646 29.700 0.222 0.000 1.137 248 E HN 0.837 nan 8.360 nan 0.000 0.397 249 T N 0.939 115.557 114.554 0.107 0.000 2.952 249 T HA 0.207 4.557 4.350 -0.000 0.000 0.286 249 T C 0.913 175.579 174.700 -0.057 0.000 1.024 249 T CA -0.849 61.274 62.100 0.039 0.000 1.029 249 T CB 1.160 70.073 68.868 0.075 0.000 1.094 249 T HN 0.438 nan 8.240 nan 0.000 0.515 250 L N 1.671 122.841 121.223 -0.090 0.000 2.083 250 L HA 0.018 4.358 4.340 -0.000 0.000 0.209 250 L C 1.898 178.543 176.870 -0.374 0.000 1.083 250 L CA 2.133 56.864 54.840 -0.183 0.000 0.752 250 L CB -1.157 40.852 42.059 -0.083 0.000 0.899 250 L HN 0.938 nan 8.230 nan 0.000 0.433 251 N N -2.516 116.066 118.700 -0.197 0.000 2.471 251 N HA -0.113 4.627 4.740 -0.000 0.000 0.205 251 N C -0.101 175.407 175.510 -0.003 0.000 1.251 251 N CA 0.350 53.338 53.050 -0.103 0.000 0.843 251 N CB -0.332 38.165 38.487 0.017 0.000 1.044 251 N HN 0.427 nan 8.380 nan 0.000 0.461 252 H N -2.351 116.735 119.070 0.027 0.000 3.049 252 H HA -0.131 4.425 4.556 -0.000 0.000 0.250 252 H C -0.924 174.408 175.328 0.007 0.000 1.219 252 H CA 0.809 56.863 56.048 0.010 0.000 1.117 252 H CB -1.949 27.810 29.762 -0.005 0.000 1.251 252 H HN 0.663 nan 8.280 nan 0.000 0.338 253 E N 0.261 120.516 120.200 0.091 0.000 2.248 253 E HA 0.509 4.859 4.350 -0.000 0.000 0.272 253 E C 0.163 176.769 176.600 0.010 0.000 1.008 253 E CA -0.805 55.609 56.400 0.023 0.000 0.856 253 E CB 1.460 31.198 29.700 0.064 0.000 1.120 253 E HN 0.024 nan 8.360 nan 0.000 0.397 254 M N 2.583 122.089 119.600 -0.157 0.000 2.321 254 M HA 0.354 4.834 4.480 -0.000 0.000 0.315 254 M C -2.054 174.057 176.300 -0.314 0.000 1.052 254 M CA -0.417 54.829 55.300 -0.090 0.000 0.936 254 M CB 0.942 33.521 32.600 -0.034 0.000 1.639 254 M HN 0.390 nan 8.290 nan 0.000 0.433 255 Y N 1.677 121.988 120.300 0.018 0.000 2.446 255 Y HA 0.598 5.148 4.550 -0.000 0.000 0.345 255 Y C -0.454 175.449 175.900 0.005 0.000 0.984 255 Y CA -0.670 57.436 58.100 0.009 0.000 1.058 255 Y CB 1.813 40.276 38.460 0.005 0.000 1.220 255 Y HN 0.597 nan 8.280 nan 0.000 0.455 256 E N 1.804 122.078 120.200 0.124 0.000 2.210 256 E HA 0.839 5.189 4.350 -0.000 0.000 0.266 256 E C -1.503 175.135 176.600 0.064 0.000 0.883 256 E CA -0.698 55.741 56.400 0.065 0.000 0.761 256 E CB 1.293 31.007 29.700 0.024 0.000 1.156 256 E HN 0.766 nan 8.360 nan 0.000 0.412 257 A N 3.561 126.401 122.820 0.034 0.000 2.594 257 A HA 0.365 4.685 4.320 -0.000 0.000 0.291 257 A C -0.071 177.484 177.584 -0.048 0.000 1.105 257 A CA -0.650 51.399 52.037 0.020 0.000 0.694 257 A CB 1.514 20.544 19.000 0.051 0.000 1.291 257 A HN 0.689 nan 8.150 nan 0.000 0.410 258 K N -0.741 119.611 120.400 -0.079 0.000 2.116 258 K HA 0.093 4.413 4.320 -0.000 0.000 0.203 258 K C -0.662 175.588 176.600 -0.583 0.000 1.052 258 K CA 1.494 57.597 56.287 -0.307 0.000 0.952 258 K CB -0.070 32.280 32.500 -0.249 0.000 0.729 258 K HN 0.610 nan 8.250 nan 0.000 0.446 259 Y N -1.295 119.025 120.300 0.032 0.000 2.615 259 Y HA 0.403 4.953 4.550 -0.000 0.000 0.341 259 Y C -0.651 175.271 175.900 0.037 0.000 1.089 259 Y CA -1.315 56.819 58.100 0.057 0.000 1.049 259 Y CB 1.829 40.315 38.460 0.044 0.000 1.296 259 Y HN -0.427 nan 8.280 nan 0.000 0.470 260 V N 2.963 123.013 119.914 0.227 0.000 2.735 260 V HA 0.481 4.601 4.120 -0.000 0.000 0.310 260 V C -0.681 175.456 176.094 0.072 0.000 1.061 260 V CA -0.863 61.498 62.300 0.100 0.000 0.913 260 V CB 2.148 33.997 31.823 0.044 0.000 1.005 260 V HN 0.543 nan 8.190 nan 0.000 0.428 261 I N 2.760 123.342 120.570 0.021 0.000 2.339 261 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 261 I C 0.297 176.395 176.117 -0.032 0.000 0.994 261 I CA -0.137 61.153 61.300 -0.017 0.000 1.191 261 I CB 1.892 39.891 38.000 -0.002 0.000 1.343 261 I HN 0.599 nan 8.210 nan 0.000 0.458 262 S N 5.402 121.048 115.700 -0.090 0.000 2.399 262 S HA 0.511 4.981 4.470 -0.000 0.000 0.301 262 S C 0.451 175.128 174.600 0.128 0.000 1.093 262 S CA -0.470 57.754 58.200 0.040 0.000 1.077 262 S CB 0.505 63.770 63.200 0.109 0.000 0.980 262 S HN 0.713 nan 8.310 nan 0.000 0.494 263 A N 5.879 128.763 122.820 0.107 0.000 2.827 263 A HA 0.455 4.775 4.320 -0.000 0.000 0.300 263 A C 0.344 178.003 177.584 0.126 0.000 1.237 263 A CA -0.672 51.434 52.037 0.115 0.000 0.964 263 A CB -0.533 18.510 19.000 0.072 0.000 1.143 263 A HN 0.901 nan 8.150 nan 0.000 0.554 264 I N -3.962 116.701 120.570 0.155 0.000 2.750 264 I HA 0.670 4.840 4.170 -0.000 0.000 0.308 264 I C -2.913 173.299 176.117 0.158 0.000 1.016 264 I CA -3.097 58.293 61.300 0.150 0.000 1.098 264 I CB 1.433 39.523 38.000 0.150 0.000 1.279 264 I HN -0.162 nan 8.210 nan 0.000 0.454 265 P HA 0.111 nan 4.420 nan 0.000 0.264 265 P C -2.161 175.192 177.300 0.089 0.000 1.183 265 P CA -0.568 62.601 63.100 0.114 0.000 0.763 265 P CB -0.020 31.735 31.700 0.092 0.000 0.807 266 P HA -0.240 nan 4.420 nan 0.000 0.216 266 P C 1.622 178.904 177.300 -0.030 0.000 1.157 266 P CA 1.916 65.018 63.100 0.004 0.000 0.880 266 P CB -0.279 31.393 31.700 -0.047 0.000 0.791 267 T N -1.348 113.163 114.554 -0.071 0.000 2.881 267 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 267 T C 1.519 176.207 174.700 -0.019 0.000 1.068 267 T CA 0.756 62.803 62.100 -0.089 0.000 1.131 267 T CB -0.816 67.965 68.868 -0.145 0.000 0.871 267 T HN -0.037 nan 8.240 nan 0.000 0.479 268 L N 0.404 121.645 121.223 0.031 0.000 2.551 268 L HA 0.123 4.463 4.340 -0.000 0.000 0.228 268 L C 2.792 179.733 176.870 0.119 0.000 1.153 268 L CA 0.696 55.582 54.840 0.077 0.000 0.851 268 L CB -0.749 41.381 42.059 0.118 0.000 0.959 268 L HN 0.350 nan 8.230 nan 0.000 0.451 269 G N -0.095 108.786 108.800 0.135 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 1.605 176.643 174.900 0.230 0.000 1.115 269 G CA 0.257 45.497 45.100 0.233 0.000 0.757 269 G HN 0.156 nan 8.290 nan 0.000 0.560 270 M N 0.350 120.011 119.600 0.102 0.000 2.279 270 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 270 M C 2.110 178.421 176.300 0.018 0.000 1.062 270 M CA 1.015 56.343 55.300 0.047 0.000 1.099 270 M CB -0.502 32.089 32.600 -0.016 0.000 1.394 270 M HN 0.234 nan 8.290 nan 0.000 0.426 271 K N 0.071 120.504 120.400 0.054 0.000 2.486 271 K HA 0.142 4.462 4.320 -0.000 0.000 0.194 271 K C 0.388 177.028 176.600 0.066 0.000 1.033 271 K CA 0.428 56.753 56.287 0.063 0.000 1.004 271 K CB 0.140 32.713 32.500 0.120 0.000 0.798 271 K HN 0.327 nan 8.250 nan 0.000 0.495 272 I N 1.318 121.891 120.570 0.005 0.000 2.377 272 I HA 0.123 4.293 4.170 -0.000 0.000 0.293 272 I C 0.120 176.069 176.117 -0.280 0.000 0.987 272 I CA -0.734 60.472 61.300 -0.156 0.000 1.185 272 I CB 1.281 39.040 38.000 -0.402 0.000 1.341 272 I HN 0.043 nan 8.210 nan 0.000 0.455 273 H N 6.177 125.132 119.070 -0.192 0.000 2.562 273 H HA 0.331 4.887 4.556 -0.000 0.000 0.314 273 H C -1.076 174.143 175.328 -0.182 0.000 1.079 273 H CA -0.179 55.856 56.048 -0.021 0.000 1.349 273 H CB 1.092 30.938 29.762 0.140 0.000 1.432 273 H HN 0.328 nan 8.280 nan 0.000 0.479 274 F N 2.002 122.048 119.950 0.160 0.000 2.443 274 F HA 0.166 4.693 4.527 -0.000 0.000 0.335 274 F C 0.617 176.454 175.800 0.061 0.000 1.104 274 F CA -0.711 57.314 58.000 0.041 0.000 1.013 274 F CB 1.334 40.347 39.000 0.022 0.000 1.136 274 F HN 0.473 nan 8.300 nan 0.000 0.470 275 N N 4.443 123.221 118.700 0.130 0.000 2.461 275 N HA 0.416 5.156 4.740 -0.000 0.000 0.284 275 N C -3.016 172.538 175.510 0.073 0.000 1.049 275 N CA -2.369 50.754 53.050 0.122 0.000 0.889 275 N CB 2.134 40.717 38.487 0.160 0.000 1.365 275 N HN 0.069 nan 8.380 nan 0.000 0.499 276 P HA 0.293 nan 4.420 nan 0.000 0.274 276 P C -2.631 174.742 177.300 0.121 0.000 1.260 276 P CA -0.931 62.225 63.100 0.093 0.000 0.793 276 P CB -0.410 31.325 31.700 0.058 0.000 1.048 277 P HA 0.077 nan 4.420 nan 0.000 0.268 277 P C 0.094 177.407 177.300 0.020 0.000 1.208 277 P CA 0.261 63.419 63.100 0.098 0.000 0.777 277 P CB 0.166 31.905 31.700 0.065 0.000 0.875 278 L N 3.322 124.508 121.223 -0.062 0.000 2.483 278 L HA 0.118 4.458 4.340 -0.000 0.000 0.275 278 L C -1.656 175.158 176.870 -0.095 0.000 1.220 278 L CA -1.525 53.209 54.840 -0.177 0.000 0.833 278 L CB -0.712 41.151 42.059 -0.327 0.000 1.102 278 L HN 0.301 nan 8.230 nan 0.000 0.490 279 P HA -0.056 nan 4.420 nan 0.000 0.268 279 P C 0.676 177.942 177.300 -0.057 0.000 1.208 279 P CA -0.160 62.904 63.100 -0.061 0.000 0.777 279 P CB 0.462 32.125 31.700 -0.062 0.000 0.875 280 M N 2.017 121.596 119.600 -0.034 0.000 2.113 280 M HA -0.263 4.217 4.480 -0.000 0.000 0.255 280 M C 1.233 177.536 176.300 0.006 0.000 1.073 280 M CA 2.376 57.666 55.300 -0.016 0.000 1.091 280 M CB -0.374 32.220 32.600 -0.010 0.000 1.309 280 M HN 0.184 nan 8.290 nan 0.000 0.407 281 M N -0.450 119.151 119.600 0.001 0.000 2.117 281 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 281 M C 2.308 178.647 176.300 0.065 0.000 1.065 281 M CA 1.816 57.157 55.300 0.069 0.000 1.114 281 M CB -1.462 31.123 32.600 -0.024 0.000 1.361 281 M HN 0.444 nan 8.290 nan 0.000 0.408 282 R N 0.316 120.782 120.500 -0.057 0.000 2.092 282 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 282 R C 2.008 178.217 176.300 -0.151 0.000 1.119 282 R CA 1.662 57.678 56.100 -0.140 0.000 0.970 282 R CB -0.208 29.958 30.300 -0.222 0.000 0.864 282 R HN 0.333 nan 8.270 nan 0.000 0.440 283 N N 0.508 119.137 118.700 -0.119 0.000 2.061 283 N HA -0.232 4.508 4.740 -0.000 0.000 0.193 283 N C 1.574 177.016 175.510 -0.115 0.000 1.030 283 N CA 1.995 54.982 53.050 -0.105 0.000 0.856 283 N CB 0.007 38.456 38.487 -0.063 0.000 1.023 283 N HN 0.360 nan 8.380 nan 0.000 0.424 284 Q N -1.072 118.665 119.800 -0.104 0.000 2.163 284 Q HA -0.048 4.292 4.340 -0.000 0.000 0.198 284 Q C 1.997 177.734 176.000 -0.437 0.000 0.954 284 Q CA 0.620 56.304 55.803 -0.199 0.000 0.851 284 Q CB -0.131 28.556 28.738 -0.086 0.000 0.928 284 Q HN 0.489 nan 8.270 nan 0.000 0.459 285 M N 1.715 121.055 119.600 -0.434 0.000 2.082 285 M HA -0.176 4.304 4.480 -0.000 0.000 0.258 285 M C 2.004 178.063 176.300 -0.401 0.000 1.069 285 M CA 1.702 56.688 55.300 -0.523 0.000 1.102 285 M CB -0.480 31.990 32.600 -0.217 0.000 1.336 285 M HN 0.311 nan 8.290 nan 0.000 0.404 286 I N -1.602 118.799 120.570 -0.282 0.000 3.334 286 I HA -0.062 4.108 4.170 -0.000 0.000 0.282 286 I C 1.392 177.376 176.117 -0.221 0.000 1.313 286 I CA 1.315 62.479 61.300 -0.225 0.000 1.396 286 I CB -0.983 36.930 38.000 -0.145 0.000 1.054 286 I HN 0.313 nan 8.210 nan 0.000 0.495 287 T N -2.601 111.798 114.554 -0.259 0.000 3.069 287 T HA 0.291 4.641 4.350 -0.000 0.000 0.252 287 T C 1.463 175.989 174.700 -0.289 0.000 1.053 287 T CA -0.239 61.722 62.100 -0.232 0.000 0.964 287 T CB -0.012 68.743 68.868 -0.189 0.000 1.005 287 T HN 0.409 nan 8.240 nan 0.000 0.532 288 R N 1.002 121.269 120.500 -0.388 0.000 2.508 288 R HA 0.331 4.671 4.340 -0.000 0.000 0.300 288 R C -0.138 175.835 176.300 -0.546 0.000 0.970 288 R CA -0.005 55.835 56.100 -0.433 0.000 1.102 288 R CB 1.340 31.327 30.300 -0.521 0.000 1.246 288 R HN 0.427 nan 8.270 nan 0.000 0.539 289 V N -0.816 118.757 119.914 -0.569 0.000 2.383 289 V HA 0.463 4.583 4.120 -0.000 0.000 0.261 289 V C -2.695 173.031 176.094 -0.614 0.000 0.987 289 V CA -2.326 59.519 62.300 -0.759 0.000 0.853 289 V CB 0.732 32.065 31.823 -0.817 0.000 1.095 289 V HN -0.107 nan 8.190 nan 0.000 0.461 290 P HA 0.506 nan 4.420 nan 0.000 0.276 290 P C -0.667 176.310 177.300 -0.539 0.000 1.252 290 P CA -0.334 62.427 63.100 -0.565 0.000 0.802 290 P CB 1.808 33.157 31.700 -0.585 0.000 1.035 291 L N 0.259 121.345 121.223 -0.229 0.000 2.352 291 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 291 L C 1.484 178.410 176.870 0.094 0.000 1.034 291 L CA -0.183 54.624 54.840 -0.054 0.000 0.806 291 L CB 0.481 42.545 42.059 0.009 0.000 1.244 291 L HN 0.475 nan 8.230 nan 0.000 0.447 292 G N -0.024 108.864 108.800 0.147 0.000 2.631 292 G HA2 0.413 4.373 3.960 -0.000 0.000 0.271 292 G HA3 0.413 4.373 3.960 -0.000 0.000 0.271 292 G C -0.753 174.167 174.900 0.033 0.000 1.302 292 G CA -0.358 44.797 45.100 0.092 0.000 1.002 292 G HN 0.497 nan 8.290 nan 0.000 0.519 293 S N -1.395 114.294 115.700 -0.017 0.000 2.605 293 S HA 0.582 5.052 4.470 -0.000 0.000 0.308 293 S C -1.063 173.546 174.600 0.015 0.000 1.113 293 S CA -0.492 57.726 58.200 0.030 0.000 1.049 293 S CB 1.674 64.896 63.200 0.037 0.000 1.001 293 S HN 0.842 nan 8.310 nan 0.000 0.480 294 V N 4.905 124.885 119.914 0.109 0.000 3.000 294 V HA 0.569 4.689 4.120 -0.000 0.000 0.300 294 V C -1.948 174.333 176.094 0.312 0.000 1.251 294 V CA -0.742 61.663 62.300 0.175 0.000 0.972 294 V CB 1.768 33.664 31.823 0.121 0.000 1.065 294 V HN 0.877 nan 8.190 nan 0.000 0.431 295 I N 5.322 126.080 120.570 0.313 0.000 2.362 295 I HA 0.519 4.689 4.170 -0.000 0.000 0.289 295 I C -0.205 176.165 176.117 0.421 0.000 0.994 295 I CA -0.614 60.882 61.300 0.327 0.000 1.158 295 I CB 1.694 39.822 38.000 0.214 0.000 1.315 295 I HN 0.525 nan 8.210 nan 0.000 0.451 296 K N 5.979 126.658 120.400 0.465 0.000 2.234 296 K HA 0.576 4.896 4.320 -0.000 0.000 0.277 296 K C -1.449 175.272 176.600 0.201 0.000 1.038 296 K CA -0.314 56.211 56.287 0.395 0.000 0.888 296 K CB 0.946 33.745 32.500 0.498 0.000 1.091 296 K HN 0.700 nan 8.250 nan 0.000 0.467 297 C N 5.376 124.752 119.300 0.126 0.000 2.441 297 C HA 0.571 5.031 4.460 -0.000 0.000 0.318 297 C C -0.868 174.176 174.990 0.090 0.000 1.222 297 C CA -1.085 58.007 59.018 0.124 0.000 1.474 297 C CB 0.035 27.955 27.740 0.300 0.000 2.125 297 C HN 0.733 nan 8.230 nan 0.000 0.479 298 I N 3.107 123.694 120.570 0.027 0.000 2.439 298 I HA 0.418 4.588 4.170 -0.000 0.000 0.285 298 I C -0.271 175.869 176.117 0.038 0.000 1.021 298 I CA -0.137 61.136 61.300 -0.043 0.000 1.091 298 I CB 1.442 39.362 38.000 -0.133 0.000 1.242 298 I HN 0.352 nan 8.210 nan 0.000 0.439 299 V N 6.731 126.665 119.914 0.032 0.000 2.394 299 V HA 0.384 4.504 4.120 -0.000 0.000 0.282 299 V C -0.610 175.317 176.094 -0.279 0.000 1.031 299 V CA -0.675 61.657 62.300 0.053 0.000 0.881 299 V CB 0.852 32.745 31.823 0.116 0.000 0.982 299 V HN 0.410 nan 8.190 nan 0.000 0.451 300 Y N 4.113 124.362 120.300 -0.084 0.000 2.387 300 Y HA 0.666 5.216 4.550 0.000 0.000 0.330 300 Y C -0.251 175.506 175.900 -0.239 0.000 1.133 300 Y CA -0.366 57.729 58.100 -0.009 0.000 1.152 300 Y CB 1.385 39.940 38.460 0.158 0.000 1.215 300 Y HN 0.531 nan 8.280 nan 0.000 0.466 301 Y N -0.132 120.421 120.300 0.422 0.000 2.605 301 Y HA 0.283 4.833 4.550 -0.000 0.000 0.343 301 Y C 1.105 177.152 175.900 0.245 0.000 1.036 301 Y CA -1.394 56.923 58.100 0.362 0.000 1.065 301 Y CB 1.895 40.665 38.460 0.518 0.000 1.288 301 Y HN 0.497 nan 8.280 nan 0.000 0.481 302 K N 0.198 120.815 120.400 0.362 0.000 2.057 302 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 302 K C -0.352 176.321 176.600 0.122 0.000 1.049 302 K CA 1.565 57.959 56.287 0.179 0.000 0.931 302 K CB 0.250 32.826 32.500 0.128 0.000 0.714 302 K HN 0.577 nan 8.250 nan 0.000 0.440 303 E N -0.582 119.707 120.200 0.148 0.000 2.393 303 E HA 0.211 4.561 4.350 -0.000 0.000 0.273 303 E C -2.665 173.807 176.600 -0.214 0.000 0.918 303 E CA -2.259 54.133 56.400 -0.013 0.000 0.773 303 E CB 1.812 31.494 29.700 -0.031 0.000 1.275 303 E HN -0.032 nan 8.360 nan 0.000 0.451 304 P HA 0.082 nan 4.420 nan 0.000 0.230 304 P C 0.711 177.062 177.300 -1.581 0.000 1.791 304 P CA -0.087 62.076 63.100 -1.561 0.000 1.020 304 P CB -1.138 29.968 31.700 -0.990 0.000 1.977 305 F N -0.045 119.330 119.950 -0.957 0.000 2.333 305 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 305 F C 1.734 177.369 175.800 -0.274 0.000 1.083 305 F CA -0.102 57.641 58.000 -0.428 0.000 1.395 305 F CB -1.690 37.190 39.000 -0.199 0.000 1.056 305 F HN 0.123 nan 8.300 nan 0.000 0.529 306 W N 1.320 122.291 121.300 -0.548 0.000 2.374 306 W HA 0.041 4.701 4.660 0.000 0.000 0.288 306 W C 2.020 178.486 176.519 -0.088 0.000 1.218 306 W CA 0.824 58.038 57.345 -0.218 0.000 1.245 306 W CB -1.124 28.139 29.460 -0.329 0.000 1.126 306 W HN -0.142 nan 8.180 nan 0.000 0.545 307 R N 1.272 121.557 120.500 -0.358 0.000 2.120 307 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 307 R C 2.044 178.261 176.300 -0.140 0.000 1.123 307 R CA 1.687 57.675 56.100 -0.187 0.000 0.975 307 R CB -0.430 29.699 30.300 -0.285 0.000 0.866 307 R HN 0.303 nan 8.270 nan 0.000 0.446 308 K N 0.709 121.022 120.400 -0.145 0.000 2.211 308 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 308 K C 1.300 177.829 176.600 -0.117 0.000 1.050 308 K CA 0.972 57.198 56.287 -0.101 0.000 0.945 308 K CB 0.062 32.524 32.500 -0.063 0.000 0.732 308 K HN 0.162 nan 8.250 nan 0.000 0.451 309 K N 0.949 121.250 120.400 -0.165 0.000 2.410 309 K HA -0.020 4.300 4.320 -0.000 0.000 0.200 309 K C -0.495 175.766 176.600 -0.565 0.000 1.023 309 K CA 0.044 56.118 56.287 -0.356 0.000 1.149 309 K CB 0.280 32.529 32.500 -0.419 0.000 0.859 309 K HN 0.005 nan 8.250 nan 0.000 0.514 310 D N 0.387 120.609 120.400 -0.295 0.000 2.746 310 D HA -0.215 4.425 4.640 -0.000 0.000 0.236 310 D C -1.400 174.835 176.300 -0.108 0.000 1.129 310 D CA 0.908 54.799 54.000 -0.182 0.000 0.691 310 D CB -1.432 39.281 40.800 -0.144 0.000 1.077 310 D HN 0.351 nan 8.370 nan 0.000 0.432 311 Y N -0.890 119.443 120.300 0.055 0.000 2.393 311 Y HA 0.320 4.870 4.550 -0.000 0.000 0.341 311 Y C 2.002 177.976 175.900 0.125 0.000 0.988 311 Y CA -0.961 57.173 58.100 0.057 0.000 1.078 311 Y CB 1.321 39.825 38.460 0.075 0.000 1.203 311 Y HN 0.255 nan 8.280 nan 0.000 0.453 312 C N -1.044 118.376 119.300 0.200 0.000 2.495 312 C HA 0.457 4.917 4.460 -0.000 0.000 0.275 312 C C 1.714 176.772 174.990 0.114 0.000 1.392 312 C CA 0.607 59.719 59.018 0.157 0.000 1.766 312 C CB -0.854 26.903 27.740 0.028 0.000 1.933 312 C HN 1.222 nan 8.230 nan 0.000 0.519 313 G N -0.230 108.470 108.800 -0.167 0.000 2.231 313 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.206 313 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.206 313 G C 0.045 174.610 174.900 -0.558 0.000 0.996 313 G CA 0.161 44.847 45.100 -0.690 0.000 0.645 313 G HN 0.555 nan 8.290 nan 0.000 0.498 314 T N 2.484 116.808 114.554 -0.383 0.000 2.779 314 T HA 0.609 4.959 4.350 -0.000 0.000 0.296 314 T C 0.301 174.774 174.700 -0.378 0.000 0.938 314 T CA 0.621 62.468 62.100 -0.423 0.000 1.119 314 T CB 0.793 69.471 68.868 -0.316 0.000 0.891 314 T HN 0.293 nan 8.240 nan 0.000 0.526 315 M N 4.069 123.415 119.600 -0.423 0.000 2.259 315 M HA 0.485 4.965 4.480 -0.000 0.000 0.304 315 M C -0.845 175.400 176.300 -0.092 0.000 1.019 315 M CA -0.569 54.602 55.300 -0.214 0.000 0.922 315 M CB 2.188 34.650 32.600 -0.230 0.000 1.600 315 M HN 0.410 nan 8.290 nan 0.000 0.433 316 I N 4.790 125.468 120.570 0.180 0.000 2.328 316 I HA 0.437 4.607 4.170 -0.000 0.000 0.287 316 I C -0.805 175.567 176.117 0.425 0.000 1.012 316 I CA -0.358 61.161 61.300 0.365 0.000 1.195 316 I CB 0.917 39.158 38.000 0.403 0.000 1.350 316 I HN 0.616 nan 8.210 nan 0.000 0.464 317 I N 5.517 126.296 120.570 0.347 0.000 2.390 317 I HA 0.267 4.437 4.170 -0.000 0.000 0.283 317 I C -0.626 175.670 176.117 0.298 0.000 1.016 317 I CA -0.703 60.784 61.300 0.313 0.000 1.151 317 I CB 1.040 39.159 38.000 0.198 0.000 1.293 317 I HN 0.417 nan 8.210 nan 0.000 0.458 318 D N 4.890 125.474 120.400 0.306 0.000 2.362 318 D HA 0.586 5.226 4.640 -0.000 0.000 0.242 318 D C 0.506 176.921 176.300 0.192 0.000 1.132 318 D CA 0.629 54.773 54.000 0.239 0.000 0.907 318 D CB 1.338 42.254 40.800 0.194 0.000 1.195 318 D HN 0.841 nan 8.370 nan 0.000 0.429 319 G N 0.958 109.850 108.800 0.155 0.000 2.617 319 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 319 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 319 G C 0.458 175.433 174.900 0.125 0.000 1.214 319 G CA -0.211 44.966 45.100 0.128 0.000 0.796 319 G HN 0.372 nan 8.290 nan 0.000 0.654 320 E N 0.266 120.534 120.200 0.113 0.000 2.106 320 E HA -0.037 4.313 4.350 -0.000 0.000 0.192 320 E C 2.163 178.827 176.600 0.106 0.000 0.984 320 E CA 2.406 58.883 56.400 0.128 0.000 0.806 320 E CB -0.013 29.758 29.700 0.118 0.000 0.750 320 E HN 0.631 nan 8.360 nan 0.000 0.458 321 E N 0.475 120.728 120.200 0.088 0.000 2.150 321 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 321 E C 0.370 177.004 176.600 0.056 0.000 0.985 321 E CA 0.920 57.361 56.400 0.068 0.000 0.814 321 E CB -0.364 29.374 29.700 0.064 0.000 0.752 321 E HN 0.295 nan 8.360 nan 0.000 0.466 322 A N 2.449 125.312 122.820 0.072 0.000 2.451 322 A HA 0.169 4.489 4.320 -0.000 0.000 0.266 322 A C -1.413 176.200 177.584 0.049 0.000 1.119 322 A CA -1.129 50.944 52.037 0.059 0.000 0.786 322 A CB 0.158 19.215 19.000 0.094 0.000 1.061 322 A HN -0.013 nan 8.150 nan 0.000 0.503 323 P HA -0.051 nan 4.420 nan 0.000 0.217 323 P C 0.245 177.582 177.300 0.061 0.000 1.150 323 P CA 1.008 64.119 63.100 0.017 0.000 0.832 323 P CB 0.067 31.760 31.700 -0.012 0.000 0.787 324 V N 0.160 120.131 119.914 0.094 0.000 2.417 324 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 324 V C 1.174 177.388 176.094 0.201 0.000 1.024 324 V CA -0.130 62.276 62.300 0.175 0.000 0.861 324 V CB 1.288 33.248 31.823 0.228 0.000 0.985 324 V HN -0.021 nan 8.190 nan 0.000 0.436 325 A N 4.451 127.418 122.820 0.244 0.000 2.220 325 A HA 0.323 4.643 4.320 -0.000 0.000 0.211 325 A C 0.162 177.965 177.584 0.365 0.000 1.176 325 A CA 0.545 52.744 52.037 0.270 0.000 0.834 325 A CB 0.147 19.294 19.000 0.245 0.000 0.868 325 A HN 0.775 nan 8.150 nan 0.000 0.488 326 Y N -0.229 120.193 120.300 0.203 0.000 2.482 326 Y HA 0.461 5.011 4.550 -0.000 0.000 0.334 326 Y C -0.432 175.526 175.900 0.098 0.000 1.091 326 Y CA -0.348 57.856 58.100 0.172 0.000 1.027 326 Y CB 1.505 40.108 38.460 0.239 0.000 1.306 326 Y HN 0.121 nan 8.280 nan 0.000 0.446 327 T N 3.898 118.132 114.554 -0.534 0.000 2.906 327 T HA 0.867 5.217 4.350 -0.000 0.000 0.295 327 T C -1.530 172.763 174.700 -0.679 0.000 1.075 327 T CA -0.822 60.980 62.100 -0.497 0.000 1.005 327 T CB 1.879 70.428 68.868 -0.532 0.000 1.136 327 T HN 0.614 nan 8.240 nan 0.000 0.498 328 L N 0.989 121.948 121.223 -0.439 0.000 2.393 328 L HA 0.504 4.844 4.340 -0.000 0.000 0.260 328 L C -0.657 176.035 176.870 -0.296 0.000 1.002 328 L CA -1.264 53.373 54.840 -0.339 0.000 0.818 328 L CB 2.216 44.168 42.059 -0.178 0.000 1.369 328 L HN 0.741 nan 8.230 nan 0.000 0.412 329 D N 0.868 121.126 120.400 -0.238 0.000 2.450 329 D HA -0.039 4.601 4.640 -0.000 0.000 0.247 329 D C -0.235 176.086 176.300 0.035 0.000 1.162 329 D CA 0.579 54.512 54.000 -0.112 0.000 0.879 329 D CB 1.181 42.037 40.800 0.093 0.000 1.163 329 D HN 0.501 nan 8.370 nan 0.000 0.472 330 D N 1.870 122.294 120.400 0.041 0.000 2.462 330 D HA 0.072 4.712 4.640 -0.000 0.000 0.221 330 D C -0.307 176.077 176.300 0.141 0.000 1.173 330 D CA -0.137 53.914 54.000 0.084 0.000 0.831 330 D CB 0.385 41.172 40.800 -0.021 0.000 1.001 330 D HN 0.240 nan 8.370 nan 0.000 0.499 331 T N 1.572 116.249 114.554 0.205 0.000 2.946 331 T HA 0.012 4.362 4.350 -0.000 0.000 0.311 331 T C 0.537 175.313 174.700 0.126 0.000 1.063 331 T CA -0.096 62.122 62.100 0.198 0.000 1.139 331 T CB 0.768 69.760 68.868 0.208 0.000 0.994 331 T HN -0.066 nan 8.240 nan 0.000 0.547 332 K N 3.808 124.245 120.400 0.063 0.000 2.380 332 K HA 0.073 4.393 4.320 -0.000 0.000 0.267 332 K C -1.393 175.094 176.600 -0.189 0.000 0.990 332 K CA -1.865 54.360 56.287 -0.103 0.000 0.946 332 K CB 0.152 32.629 32.500 -0.038 0.000 0.937 332 K HN 0.333 nan 8.250 nan 0.000 0.491 333 P HA -0.145 nan 4.420 nan 0.000 0.218 333 P C 0.387 177.612 177.300 -0.125 0.000 1.148 333 P CA 1.376 64.259 63.100 -0.362 0.000 0.822 333 P CB 0.330 31.715 31.700 -0.525 0.000 0.784 334 E N -1.009 119.139 120.200 -0.087 0.000 2.409 334 E HA 0.092 4.442 4.350 -0.000 0.000 0.198 334 E C 1.618 178.211 176.600 -0.012 0.000 1.024 334 E CA 1.106 57.492 56.400 -0.023 0.000 0.861 334 E CB -0.880 28.828 29.700 0.014 0.000 0.788 334 E HN 0.335 nan 8.360 nan 0.000 0.521 335 G N 0.532 109.326 108.800 -0.010 0.000 2.176 335 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.232 335 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.232 335 G C 0.124 175.020 174.900 -0.006 0.000 0.986 335 G CA 0.249 45.341 45.100 -0.012 0.000 0.643 335 G HN 0.375 nan 8.290 nan 0.000 0.522 336 N N -0.677 118.040 118.700 0.028 0.000 2.530 336 N HA 0.527 5.267 4.740 -0.000 0.000 0.283 336 N C 0.534 176.133 175.510 0.148 0.000 1.238 336 N CA -0.839 52.207 53.050 -0.006 0.000 0.971 336 N CB -0.003 38.410 38.487 -0.124 0.000 1.195 336 N HN 0.609 nan 8.380 nan 0.000 0.583 337 Y N -2.750 117.581 120.300 0.052 0.000 3.168 337 Y HA -0.177 4.373 4.550 -0.000 0.000 0.207 337 Y C 0.643 176.685 175.900 0.237 0.000 1.280 337 Y CA 0.314 58.499 58.100 0.142 0.000 1.235 337 Y CB -2.373 36.131 38.460 0.074 0.000 1.370 337 Y HN 0.757 nan 8.280 nan 0.000 0.537 338 A N 0.290 123.274 122.820 0.274 0.000 2.587 338 A HA 0.533 4.853 4.320 -0.000 0.000 0.235 338 A C 0.759 178.599 177.584 0.427 0.000 1.044 338 A CA 0.663 52.878 52.037 0.296 0.000 0.754 338 A CB 0.083 19.183 19.000 0.167 0.000 0.968 338 A HN 1.549 nan 8.150 nan 0.000 0.509 339 A N 2.348 125.429 122.820 0.434 0.000 2.605 339 A HA 0.614 4.934 4.320 -0.000 0.000 0.294 339 A C -1.034 176.552 177.584 0.003 0.000 1.062 339 A CA -0.534 51.567 52.037 0.107 0.000 0.682 339 A CB 0.947 19.678 19.000 -0.449 0.000 1.278 339 A HN 0.727 nan 8.150 nan 0.000 0.410 340 I N 2.588 123.054 120.570 -0.174 0.000 2.406 340 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 340 I C -0.207 175.757 176.117 -0.255 0.000 0.999 340 I CA -0.391 60.668 61.300 -0.403 0.000 1.124 340 I CB 1.655 39.255 38.000 -0.668 0.000 1.289 340 I HN 0.761 nan 8.210 nan 0.000 0.441 341 M N 5.750 125.200 119.600 -0.250 0.000 2.209 341 M HA 0.602 5.082 4.480 -0.000 0.000 0.355 341 M C -0.341 175.824 176.300 -0.224 0.000 1.171 341 M CA -0.160 55.026 55.300 -0.190 0.000 1.069 341 M CB 1.149 33.657 32.600 -0.153 0.000 1.622 341 M HN 0.698 nan 8.290 nan 0.000 0.459 342 G N 4.419 113.143 108.800 -0.127 0.000 2.563 342 G HA2 0.688 4.648 3.960 -0.000 0.000 0.302 342 G HA3 0.688 4.648 3.960 -0.000 0.000 0.302 342 G C -1.935 172.927 174.900 -0.064 0.000 1.301 342 G CA -0.537 44.535 45.100 -0.047 0.000 0.965 342 G HN 0.659 nan 8.290 nan 0.000 0.480 343 F N 0.641 120.744 119.950 0.254 0.000 2.436 343 F HA 0.488 5.015 4.527 0.000 0.000 0.340 343 F C 0.548 176.467 175.800 0.199 0.000 1.113 343 F CA -0.705 57.447 58.000 0.253 0.000 1.022 343 F CB 2.119 41.297 39.000 0.296 0.000 1.128 343 F HN 0.057 nan 8.300 nan 0.000 0.466 344 I N 5.291 126.083 120.570 0.368 0.000 2.304 344 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 344 I C -0.681 175.537 176.117 0.168 0.000 1.018 344 I CA -0.316 61.113 61.300 0.214 0.000 1.260 344 I CB 0.833 38.925 38.000 0.154 0.000 1.390 344 I HN 0.385 nan 8.210 nan 0.000 0.475 345 L N 6.515 127.792 121.223 0.090 0.000 2.317 345 L HA 0.716 5.056 4.340 -0.000 0.000 0.281 345 L C 0.906 177.745 176.870 -0.051 0.000 1.024 345 L CA -0.208 54.646 54.840 0.024 0.000 0.810 345 L CB 1.551 43.629 42.059 0.031 0.000 1.240 345 L HN 0.914 nan 8.230 nan 0.000 0.427 346 A N 2.117 124.903 122.820 -0.057 0.000 5.382 346 A HA -0.362 3.958 4.320 -0.000 0.000 0.307 346 A C 1.679 179.256 177.584 -0.012 0.000 1.937 346 A CA 1.472 53.479 52.037 -0.049 0.000 0.715 346 A CB -1.585 17.382 19.000 -0.055 0.000 1.293 346 A HN 1.088 nan 8.150 nan 0.000 0.374 347 H N 0.957 120.021 119.070 -0.011 0.000 2.457 347 H HA -0.054 4.502 4.556 -0.000 0.000 0.297 347 H C 1.668 177.017 175.328 0.034 0.000 1.092 347 H CA 1.885 57.944 56.048 0.018 0.000 1.309 347 H CB -0.379 29.401 29.762 0.031 0.000 1.382 347 H HN 0.733 nan 8.280 nan 0.000 0.535 348 K N 0.701 120.763 120.400 -0.564 0.000 2.211 348 K HA 0.062 4.382 4.320 -0.000 0.000 0.203 348 K C 2.573 179.118 176.600 -0.092 0.000 1.050 348 K CA 0.867 56.950 56.287 -0.339 0.000 0.945 348 K CB 0.038 32.352 32.500 -0.311 0.000 0.732 348 K HN 0.338 nan 8.250 nan 0.000 0.451 349 A N 1.423 124.218 122.820 -0.041 0.000 1.933 349 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 349 A C 2.070 179.677 177.584 0.038 0.000 1.175 349 A CA 1.343 53.400 52.037 0.032 0.000 0.628 349 A CB -0.262 18.775 19.000 0.061 0.000 0.814 349 A HN 0.115 nan 8.150 nan 0.000 0.444 350 R N -0.261 120.260 120.500 0.035 0.000 2.066 350 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 350 R C 2.338 178.666 176.300 0.046 0.000 1.131 350 R CA 1.723 57.853 56.100 0.050 0.000 0.955 350 R CB -0.295 30.046 30.300 0.069 0.000 0.851 350 R HN 0.591 nan 8.270 nan 0.000 0.432 351 K N 0.512 120.939 120.400 0.046 0.000 2.057 351 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 351 K C 1.547 178.167 176.600 0.033 0.000 1.049 351 K CA 1.320 57.636 56.287 0.049 0.000 0.931 351 K CB 0.017 32.556 32.500 0.066 0.000 0.714 351 K HN 0.172 nan 8.250 nan 0.000 0.440 352 L N 0.217 121.454 121.223 0.024 0.000 2.558 352 L HA 0.104 4.444 4.340 -0.000 0.000 0.225 352 L C 2.236 179.127 176.870 0.035 0.000 1.128 352 L CA 0.208 55.063 54.840 0.026 0.000 0.868 352 L CB -0.064 42.008 42.059 0.022 0.000 1.006 352 L HN 0.179 nan 8.230 nan 0.000 0.454 353 A N 0.686 123.529 122.820 0.038 0.000 2.019 353 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 353 A C 2.333 179.936 177.584 0.030 0.000 1.164 353 A CA 1.130 53.190 52.037 0.039 0.000 0.644 353 A CB -0.354 18.668 19.000 0.038 0.000 0.805 353 A HN 0.367 nan 8.150 nan 0.000 0.449 354 R N -0.579 119.938 120.500 0.027 0.000 2.152 354 R HA 0.045 4.385 4.340 -0.000 0.000 0.232 354 R C 0.240 176.552 176.300 0.020 0.000 1.117 354 R CA 0.336 56.449 56.100 0.022 0.000 0.981 354 R CB -0.520 29.793 30.300 0.021 0.000 0.870 354 R HN 0.446 nan 8.270 nan 0.000 0.451 355 L N 0.660 121.897 121.223 0.022 0.000 2.475 355 L HA 0.122 4.462 4.340 -0.000 0.000 0.253 355 L C 1.037 177.921 176.870 0.024 0.000 1.198 355 L CA -0.543 54.308 54.840 0.019 0.000 0.814 355 L CB 0.442 42.510 42.059 0.015 0.000 1.134 355 L HN 0.114 nan 8.230 nan 0.000 0.478 356 T N -2.865 111.701 114.554 0.020 0.000 2.849 356 T HA 0.124 4.474 4.350 -0.000 0.000 0.284 356 T C 0.876 175.603 174.700 0.045 0.000 1.004 356 T CA -0.666 61.451 62.100 0.028 0.000 1.021 356 T CB 1.306 70.185 68.868 0.019 0.000 1.013 356 T HN 0.672 nan 8.240 nan 0.000 0.527 357 K N 0.415 120.857 120.400 0.071 0.000 2.074 357 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 357 K C 1.935 178.590 176.600 0.092 0.000 1.048 357 K CA 1.993 58.366 56.287 0.143 0.000 0.926 357 K CB -0.213 32.379 32.500 0.153 0.000 0.713 357 K HN 0.704 nan 8.250 nan 0.000 0.444 358 E N 0.699 120.919 120.200 0.034 0.000 2.110 358 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 358 E C 1.815 178.374 176.600 -0.068 0.000 0.988 358 E CA 1.456 57.840 56.400 -0.026 0.000 0.804 358 E CB 0.009 29.704 29.700 -0.009 0.000 0.745 358 E HN 0.410 nan 8.360 nan 0.000 0.458 359 E N 0.186 120.364 120.200 -0.037 0.000 2.072 359 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 359 E C 2.136 178.693 176.600 -0.072 0.000 0.985 359 E CA 0.718 57.091 56.400 -0.045 0.000 0.801 359 E CB -0.019 29.670 29.700 -0.018 0.000 0.750 359 E HN 0.127 nan 8.360 nan 0.000 0.452 360 R N 0.271 120.736 120.500 -0.060 0.000 2.075 360 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 360 R C 2.459 178.611 176.300 -0.246 0.000 1.126 360 R CA 0.747 56.800 56.100 -0.078 0.000 0.963 360 R CB -0.334 29.991 30.300 0.042 0.000 0.858 360 R HN 0.121 nan 8.270 nan 0.000 0.435 361 L N 1.831 122.791 121.223 -0.438 0.000 2.012 361 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 361 L C 2.220 178.873 176.870 -0.362 0.000 1.073 361 L CA 1.913 56.338 54.840 -0.693 0.000 0.748 361 L CB -0.489 41.120 42.059 -0.751 0.000 0.891 361 L HN 0.007 nan 8.230 nan 0.000 0.431 362 K N -0.531 119.734 120.400 -0.225 0.000 2.032 362 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 362 K C 2.201 178.711 176.600 -0.149 0.000 1.048 362 K CA 1.834 58.034 56.287 -0.145 0.000 0.927 362 K CB -0.113 32.332 32.500 -0.093 0.000 0.712 362 K HN 0.335 nan 8.250 nan 0.000 0.441 363 K N 0.141 120.450 120.400 -0.152 0.000 2.057 363 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 363 K C 2.119 178.580 176.600 -0.232 0.000 1.049 363 K CA 1.238 57.439 56.287 -0.144 0.000 0.931 363 K CB -0.116 32.322 32.500 -0.104 0.000 0.714 363 K HN 0.051 nan 8.250 nan 0.000 0.440 364 L N 0.812 121.840 121.223 -0.325 0.000 2.017 364 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 364 L C 2.471 178.898 176.870 -0.739 0.000 1.073 364 L CA 1.530 56.003 54.840 -0.612 0.000 0.745 364 L CB -0.767 40.968 42.059 -0.540 0.000 0.894 364 L HN 0.239 nan 8.230 nan 0.000 0.432 365 C N -0.668 118.423 119.300 -0.349 0.000 2.429 365 C HA -0.158 4.302 4.460 -0.000 0.000 0.277 365 C C 2.650 177.608 174.990 -0.053 0.000 1.262 365 C CA 0.606 59.572 59.018 -0.087 0.000 1.733 365 C CB -0.786 26.959 27.740 0.009 0.000 2.010 365 C HN 0.552 nan 8.230 nan 0.000 0.483 366 E N 0.300 120.441 120.200 -0.099 0.000 2.072 366 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 366 E C 2.005 178.568 176.600 -0.062 0.000 0.985 366 E CA 0.932 57.299 56.400 -0.055 0.000 0.801 366 E CB -0.289 29.378 29.700 -0.054 0.000 0.750 366 E HN 0.520 nan 8.360 nan 0.000 0.452 367 L N 0.472 121.610 121.223 -0.142 0.000 1.989 367 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 367 L C 2.046 178.918 176.870 0.003 0.000 1.071 367 L CA 1.767 56.535 54.840 -0.119 0.000 0.749 367 L CB -0.618 41.327 42.059 -0.191 0.000 0.890 367 L HN 0.198 nan 8.230 nan 0.000 0.431 368 Y N -0.799 119.485 120.300 -0.027 0.000 2.224 368 Y HA -0.217 4.333 4.550 -0.000 0.000 0.289 368 Y C 2.527 178.435 175.900 0.015 0.000 1.146 368 Y CA 0.262 58.349 58.100 -0.021 0.000 1.182 368 Y CB -0.506 37.979 38.460 0.042 0.000 0.983 368 Y HN 0.390 nan 8.280 nan 0.000 0.524 369 A N 0.601 123.530 122.820 0.181 0.000 1.902 369 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 369 A C 2.142 179.773 177.584 0.079 0.000 1.181 369 A CA 1.988 54.097 52.037 0.119 0.000 0.623 369 A CB -0.595 18.445 19.000 0.067 0.000 0.818 369 A HN 0.399 nan 8.150 nan 0.000 0.443 370 K N -0.512 119.911 120.400 0.038 0.000 2.002 370 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 370 K C 1.817 178.413 176.600 -0.008 0.000 1.048 370 K CA 1.677 57.974 56.287 0.016 0.000 0.930 370 K CB -0.231 32.258 32.500 -0.019 0.000 0.714 370 K HN 0.238 nan 8.250 nan 0.000 0.438 371 V N 1.371 121.222 119.914 -0.104 0.000 2.379 371 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 371 V C 2.090 178.136 176.094 -0.080 0.000 1.044 371 V CA 1.396 63.590 62.300 -0.175 0.000 1.036 371 V CB -0.284 31.380 31.823 -0.266 0.000 0.664 371 V HN 0.307 nan 8.190 nan 0.000 0.453 372 L N 0.563 121.776 121.223 -0.018 0.000 2.554 372 L HA 0.254 4.594 4.340 -0.000 0.000 0.226 372 L C 1.640 178.647 176.870 0.227 0.000 1.137 372 L CA 0.745 55.620 54.840 0.058 0.000 0.863 372 L CB -0.779 41.400 42.059 0.200 0.000 0.985 372 L HN 0.552 nan 8.230 nan 0.000 0.451 373 G N 0.856 109.747 108.800 0.152 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 -0.088 174.902 174.900 0.150 0.000 1.040 373 G CA 0.492 45.680 45.100 0.147 0.000 1.004 373 G HN 0.348 nan 8.290 nan 0.000 0.509 374 S N -0.843 114.938 115.700 0.136 0.000 2.677 374 S HA 0.446 4.916 4.470 -0.000 0.000 0.283 374 S C 1.085 175.660 174.600 -0.042 0.000 1.159 374 S CA -0.786 57.456 58.200 0.069 0.000 1.001 374 S CB 1.722 65.034 63.200 0.187 0.000 1.032 374 S HN 0.245 nan 8.310 nan 0.000 0.487 375 L N 1.921 123.095 121.223 -0.082 0.000 2.362 375 L HA -0.067 4.272 4.340 -0.000 0.000 0.219 375 L C 2.068 178.825 176.870 -0.190 0.000 1.134 375 L CA 1.104 55.889 54.840 -0.092 0.000 0.807 375 L CB -0.357 41.664 42.059 -0.064 0.000 0.927 375 L HN 0.701 nan 8.230 nan 0.000 0.447 376 E N 0.563 120.512 120.200 -0.419 0.000 2.204 376 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 376 E C 2.262 178.464 176.600 -0.663 0.000 0.990 376 E CA 0.975 56.950 56.400 -0.707 0.000 0.821 376 E CB -0.125 28.773 29.700 -1.337 0.000 0.750 376 E HN 0.507 nan 8.360 nan 0.000 0.477 377 A N 0.871 123.410 122.820 -0.468 0.000 2.125 377 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 377 A C 1.919 179.680 177.584 0.295 0.000 1.156 377 A CA 0.750 52.819 52.037 0.054 0.000 0.671 377 A CB -0.341 18.828 19.000 0.281 0.000 0.794 377 A HN 0.167 nan 8.150 nan 0.000 0.459 378 L N -0.404 120.890 121.223 0.118 0.000 2.591 378 L HA 0.084 4.424 4.340 -0.000 0.000 0.228 378 L C 0.170 177.120 176.870 0.133 0.000 1.133 378 L CA 0.139 55.046 54.840 0.111 0.000 0.880 378 L CB 0.007 42.088 42.059 0.037 0.000 1.033 378 L HN 0.210 nan 8.230 nan 0.000 0.450 379 E N 1.111 121.440 120.200 0.216 0.000 3.588 379 E HA 0.269 4.619 4.350 -0.000 0.000 0.213 379 E C -2.300 174.470 176.600 0.282 0.000 1.168 379 E CA -1.661 54.852 56.400 0.189 0.000 1.254 379 E CB 0.398 30.167 29.700 0.115 0.000 1.302 379 E HN 0.129 nan 8.360 nan 0.000 0.429 380 P HA 0.019 nan 4.420 nan 0.000 0.271 380 P C 1.096 178.427 177.300 0.052 0.000 1.218 380 P CA -0.129 62.938 63.100 -0.054 0.000 0.780 380 P CB 1.492 33.114 31.700 -0.130 0.000 0.901 381 V N -1.713 118.249 119.914 0.081 0.000 3.565 381 V HA 0.308 4.428 4.120 -0.000 0.000 0.260 381 V C 0.475 176.699 176.094 0.216 0.000 1.231 381 V CA 0.786 63.171 62.300 0.142 0.000 1.100 381 V CB -1.190 30.723 31.823 0.149 0.000 0.807 381 V HN 0.679 nan 8.190 nan 0.000 0.454 382 H N -1.185 117.955 119.070 0.116 0.000 2.987 382 H HA 0.615 5.171 4.556 -0.000 0.000 0.316 382 H C -2.307 173.231 175.328 0.350 0.000 1.380 382 H CA -0.680 55.456 56.048 0.146 0.000 1.160 382 H CB 1.920 31.668 29.762 -0.024 0.000 1.865 382 H HN 0.149 nan 8.280 nan 0.000 0.521 383 Y N 1.618 121.648 120.300 -0.450 0.000 2.479 383 Y HA 0.500 5.050 4.550 -0.000 0.000 0.338 383 Y C -1.704 174.082 175.900 -0.191 0.000 1.055 383 Y CA -0.644 57.376 58.100 -0.133 0.000 1.023 383 Y CB 1.717 40.110 38.460 -0.111 0.000 1.287 383 Y HN 0.626 nan 8.280 nan 0.000 0.447 384 E N 4.419 124.364 120.200 -0.425 0.000 2.317 384 E HA 0.436 4.786 4.350 -0.000 0.000 0.270 384 E C -1.463 174.769 176.600 -0.613 0.000 0.885 384 E CA -0.800 55.362 56.400 -0.398 0.000 0.760 384 E CB 2.779 32.487 29.700 0.013 0.000 1.227 384 E HN 0.772 nan 8.360 nan 0.000 0.434 385 E N 0.391 120.343 120.200 -0.413 0.000 2.412 385 E HA 0.651 5.001 4.350 -0.000 0.000 0.279 385 E C -1.234 175.324 176.600 -0.069 0.000 0.984 385 E CA -1.060 55.201 56.400 -0.231 0.000 0.788 385 E CB 2.552 32.097 29.700 -0.259 0.000 1.277 385 E HN 0.176 nan 8.360 nan 0.000 0.455 386 K N 1.386 121.798 120.400 0.019 0.000 2.581 386 K HA 0.275 4.595 4.320 -0.000 0.000 0.249 386 K C -1.584 174.995 176.600 -0.035 0.000 0.966 386 K CA -0.739 55.499 56.287 -0.081 0.000 0.811 386 K CB 1.454 33.869 32.500 -0.142 0.000 1.223 386 K HN 0.519 nan 8.250 nan 0.000 0.438 387 N N 4.109 122.750 118.700 -0.099 0.000 2.437 387 N HA 0.101 4.841 4.740 -0.000 0.000 0.243 387 N C -0.239 175.234 175.510 -0.062 0.000 1.041 387 N CA -0.374 52.682 53.050 0.011 0.000 0.940 387 N CB 0.337 38.837 38.487 0.020 0.000 1.133 387 N HN 0.647 nan 8.380 nan 0.000 0.506 388 W N 2.183 123.539 121.300 0.094 0.000 2.699 388 W HA 0.049 4.709 4.660 -0.000 0.000 0.249 388 W C 1.941 178.492 176.519 0.053 0.000 1.280 388 W CA -0.096 57.299 57.345 0.083 0.000 1.345 388 W CB -0.161 29.371 29.460 0.119 0.000 1.128 388 W HN 0.586 nan 8.180 nan 0.000 0.642 389 C N 0.476 119.895 119.300 0.198 0.000 2.432 389 C HA -0.158 4.302 4.460 -0.000 0.000 0.282 389 C C 2.340 177.366 174.990 0.060 0.000 1.388 389 C CA 1.407 60.497 59.018 0.119 0.000 1.777 389 C CB -1.467 26.326 27.740 0.088 0.000 1.882 389 C HN 0.496 nan 8.230 nan 0.000 0.520 390 E N 0.754 120.967 120.200 0.021 0.000 2.478 390 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 390 E C -0.053 176.523 176.600 -0.039 0.000 1.045 390 E CA 0.369 56.755 56.400 -0.023 0.000 0.868 390 E CB -0.179 29.490 29.700 -0.051 0.000 0.885 390 E HN 0.496 nan 8.360 nan 0.000 0.505 391 E N 2.201 122.398 120.200 -0.005 0.000 2.129 391 E HA -0.017 4.333 4.350 -0.000 0.000 0.283 391 E C 0.485 177.072 176.600 -0.021 0.000 1.080 391 E CA 0.021 56.422 56.400 0.002 0.000 0.867 391 E CB 1.497 31.259 29.700 0.103 0.000 1.056 391 E HN 0.353 nan 8.360 nan 0.000 0.404 392 Q N 2.994 122.716 119.800 -0.131 0.000 2.135 392 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 392 Q C 0.379 176.144 176.000 -0.392 0.000 0.981 392 Q CA 1.616 57.221 55.803 -0.331 0.000 0.856 392 Q CB 0.089 28.488 28.738 -0.565 0.000 0.902 392 Q HN 0.602 nan 8.270 nan 0.000 0.425 393 Y N -0.933 119.398 120.300 0.051 0.000 2.493 393 Y HA 0.245 4.795 4.550 -0.000 0.000 0.275 393 Y C 1.488 177.451 175.900 0.105 0.000 1.183 393 Y CA -0.280 57.860 58.100 0.066 0.000 1.258 393 Y CB 0.886 39.377 38.460 0.051 0.000 1.108 393 Y HN 0.080 nan 8.280 nan 0.000 0.521 394 S N -1.650 114.179 115.700 0.214 0.000 2.931 394 S HA 0.285 4.755 4.470 -0.000 0.000 0.251 394 S C 1.841 176.527 174.600 0.144 0.000 1.078 394 S CA 0.545 58.879 58.200 0.223 0.000 0.835 394 S CB 0.604 64.019 63.200 0.359 0.000 0.798 394 S HN 0.527 nan 8.310 nan 0.000 0.495 395 G N 1.051 109.917 108.800 0.111 0.000 2.225 395 G HA2 0.081 4.041 3.960 -0.000 0.000 0.254 395 G HA3 0.081 4.041 3.960 -0.000 0.000 0.254 395 G C 0.492 175.443 174.900 0.085 0.000 0.988 395 G CA 0.093 45.228 45.100 0.058 0.000 0.625 395 G HN 1.375 nan 8.290 nan 0.000 0.527 396 G N -2.355 106.539 108.800 0.157 0.000 2.352 396 G HA2 0.518 4.478 3.960 -0.000 0.000 0.283 396 G HA3 0.518 4.478 3.960 -0.000 0.000 0.283 396 G C -0.979 174.024 174.900 0.171 0.000 1.308 396 G CA 0.317 45.522 45.100 0.174 0.000 0.892 396 G HN 1.481 nan 8.290 nan 0.000 0.504 397 C N -1.681 117.680 119.300 0.102 0.000 3.311 397 C HA 0.596 5.056 4.460 -0.000 0.000 0.325 397 C C 0.688 175.602 174.990 -0.127 0.000 1.352 397 C CA -0.639 58.384 59.018 0.008 0.000 1.308 397 C CB 0.785 28.442 27.740 -0.139 0.000 1.619 397 C HN 0.727 nan 8.230 nan 0.000 0.469 398 Y N 0.531 120.806 120.300 -0.042 0.000 2.395 398 Y HA 0.241 4.791 4.550 -0.000 0.000 0.293 398 Y C 1.563 177.479 175.900 0.027 0.000 1.123 398 Y CA 1.033 59.096 58.100 -0.062 0.000 1.227 398 Y CB -0.463 37.978 38.460 -0.032 0.000 1.012 398 Y HN 0.676 nan 8.280 nan 0.000 0.552 399 T N -1.826 112.841 114.554 0.189 0.000 2.671 399 T HA 0.358 4.708 4.350 -0.000 0.000 0.300 399 T C -0.784 174.025 174.700 0.183 0.000 1.238 399 T CA -0.680 61.561 62.100 0.235 0.000 1.020 399 T CB 1.089 70.193 68.868 0.393 0.000 1.503 399 T HN -0.153 nan 8.240 nan 0.000 0.497 400 T N 2.540 117.212 114.554 0.197 0.000 2.832 400 T HA 0.490 4.840 4.350 -0.000 0.000 0.296 400 T C -0.827 173.888 174.700 0.025 0.000 0.968 400 T CA 0.019 62.137 62.100 0.029 0.000 1.107 400 T CB -0.324 68.553 68.868 0.015 0.000 0.916 400 T HN 0.467 nan 8.240 nan 0.000 0.517 401 Y N 0.905 120.988 120.300 -0.362 0.000 2.528 401 Y HA 0.796 5.346 4.550 -0.000 0.000 0.335 401 Y C -1.283 174.055 175.900 -0.936 0.000 1.093 401 Y CA -2.243 55.284 58.100 -0.956 0.000 1.134 401 Y CB 0.788 38.820 38.460 -0.713 0.000 1.253 401 Y HN 0.407 nan 8.280 nan 0.000 0.478 402 F N 3.145 122.349 119.950 -1.243 0.000 2.375 402 F HA 0.563 5.090 4.527 -0.000 0.000 0.361 402 F C -2.327 173.377 175.800 -0.161 0.000 1.117 402 F CA -2.735 54.900 58.000 -0.608 0.000 1.037 402 F CB 1.498 40.187 39.000 -0.518 0.000 1.192 402 F HN 0.357 nan 8.300 nan 0.000 0.452 403 P HA 0.103 nan 4.420 nan 0.000 0.273 403 P C -2.546 174.852 177.300 0.163 0.000 1.250 403 P CA -1.127 62.053 63.100 0.133 0.000 0.793 403 P CB -0.160 31.570 31.700 0.049 0.000 1.011 404 P HA -0.024 nan 4.420 nan 0.000 0.264 404 P C 0.900 178.290 177.300 0.151 0.000 1.193 404 P CA 1.240 64.441 63.100 0.167 0.000 0.763 404 P CB -0.066 31.715 31.700 0.135 0.000 0.810 405 G N 2.878 111.782 108.800 0.173 0.000 2.217 405 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.246 405 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.246 405 G C 0.796 175.812 174.900 0.193 0.000 0.990 405 G CA 0.066 45.259 45.100 0.154 0.000 0.627 405 G HN 0.431 nan 8.290 nan 0.000 0.522 406 I N 0.201 120.917 120.570 0.243 0.000 2.400 406 I HA 0.162 4.332 4.170 -0.000 0.000 0.248 406 I C 2.625 178.988 176.117 0.411 0.000 1.109 406 I CA 1.242 62.742 61.300 0.333 0.000 1.425 406 I CB -1.175 36.943 38.000 0.196 0.000 1.094 406 I HN 0.270 nan 8.210 nan 0.000 0.425 407 L N 1.211 122.664 121.223 0.383 0.000 2.042 407 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 407 L C 2.648 179.595 176.870 0.128 0.000 1.076 407 L CA 2.544 57.479 54.840 0.158 0.000 0.749 407 L CB -1.006 41.050 42.059 -0.005 0.000 0.893 407 L HN 0.429 nan 8.230 nan 0.000 0.432 408 T N -4.193 110.446 114.554 0.142 0.000 2.821 408 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 408 T C 1.803 176.468 174.700 -0.058 0.000 1.046 408 T CA 0.968 63.122 62.100 0.090 0.000 1.139 408 T CB -0.348 68.578 68.868 0.095 0.000 0.871 408 T HN 0.348 nan 8.240 nan 0.000 0.454 409 Q N -0.090 119.674 119.800 -0.061 0.000 2.212 409 Q HA 0.110 4.450 4.340 -0.000 0.000 0.199 409 Q C 1.042 176.726 176.000 -0.527 0.000 0.950 409 Q CA 1.160 56.781 55.803 -0.303 0.000 0.863 409 Q CB 0.007 28.553 28.738 -0.319 0.000 0.944 409 Q HN 0.783 nan 8.270 nan 0.000 0.465 410 Y N -1.885 118.349 120.300 -0.110 0.000 2.499 410 Y HA 0.266 4.816 4.550 -0.000 0.000 0.253 410 Y C 1.989 177.770 175.900 -0.199 0.000 1.105 410 Y CA 0.060 58.078 58.100 -0.136 0.000 1.240 410 Y CB 0.266 38.688 38.460 -0.064 0.000 1.289 410 Y HN 0.076 nan 8.280 nan 0.000 0.534 411 G N 1.657 110.369 108.800 -0.147 0.000 2.442 411 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 411 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 411 G C 1.706 176.146 174.900 -0.768 0.000 1.141 411 G CA 1.185 46.100 45.100 -0.308 0.000 0.763 411 G HN 0.445 nan 8.290 nan 0.000 0.554 412 R N 0.232 119.979 120.500 -1.255 0.000 2.237 412 R HA 0.061 4.401 4.340 -0.000 0.000 0.219 412 R C 1.892 177.951 176.300 -0.402 0.000 1.080 412 R CA 1.184 56.632 56.100 -1.087 0.000 0.995 412 R CB -0.577 29.125 30.300 -0.996 0.000 0.875 412 R HN 0.270 nan 8.270 nan 0.000 0.462 413 V N 1.510 121.245 119.914 -0.298 0.000 2.871 413 V HA -0.120 4.000 4.120 -0.000 0.000 0.256 413 V C 2.453 178.441 176.094 -0.177 0.000 1.082 413 V CA 0.928 63.117 62.300 -0.184 0.000 1.105 413 V CB -0.491 31.254 31.823 -0.131 0.000 0.713 413 V HN 0.257 nan 8.190 nan 0.000 0.473 414 L N 0.945 122.100 121.223 -0.113 0.000 2.021 414 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 414 L C 2.458 179.268 176.870 -0.100 0.000 1.074 414 L CA 2.313 57.110 54.840 -0.071 0.000 0.760 414 L CB -0.203 41.913 42.059 0.094 0.000 0.889 414 L HN 0.476 nan 8.230 nan 0.000 0.433 415 R N -0.753 119.782 120.500 0.059 0.000 2.577 415 R HA 0.147 4.487 4.340 -0.000 0.000 0.344 415 R C 0.465 176.907 176.300 0.237 0.000 1.037 415 R CA -0.245 55.978 56.100 0.205 0.000 1.102 415 R CB -0.054 30.429 30.300 0.305 0.000 1.313 415 R HN 0.216 nan 8.270 nan 0.000 0.561 416 Q N 2.668 122.529 119.800 0.101 0.000 2.286 416 Q HA 0.207 4.547 4.340 -0.000 0.000 0.267 416 Q C -2.101 174.006 176.000 0.178 0.000 1.028 416 Q CA -2.084 53.779 55.803 0.101 0.000 0.901 416 Q CB 0.864 29.605 28.738 0.005 0.000 1.183 416 Q HN 0.036 nan 8.270 nan 0.000 0.392 417 P HA -0.044 nan 4.420 nan 0.000 0.267 417 P C -1.254 176.035 177.300 -0.018 0.000 1.200 417 P CA -0.063 62.970 63.100 -0.111 0.000 0.772 417 P CB 0.666 32.027 31.700 -0.564 0.000 0.855 418 V N 3.404 123.320 119.914 0.003 0.000 2.275 418 V HA 0.147 4.267 4.120 -0.000 0.000 0.272 418 V C 0.705 176.760 176.094 -0.065 0.000 1.028 418 V CA 0.133 62.435 62.300 0.004 0.000 0.810 418 V CB 0.041 31.907 31.823 0.073 0.000 1.043 418 V HN 0.778 nan 8.190 nan 0.000 0.453 419 D N 4.093 124.458 120.400 -0.058 0.000 4.372 419 D HA -0.307 4.333 4.640 -0.000 0.000 0.169 419 D C 1.348 177.635 176.300 -0.022 0.000 0.680 419 D CA 2.421 56.407 54.000 -0.024 0.000 1.152 419 D CB -0.269 40.530 40.800 -0.001 0.000 0.585 419 D HN 0.569 nan 8.370 nan 0.000 0.493 420 R N -0.116 120.399 120.500 0.025 0.000 2.468 420 R HA 0.450 4.790 4.340 -0.000 0.000 0.280 420 R C -0.210 176.199 176.300 0.182 0.000 0.963 420 R CA -0.151 56.066 56.100 0.195 0.000 1.083 420 R CB 0.457 30.813 30.300 0.094 0.000 1.200 420 R HN 0.292 nan 8.270 nan 0.000 0.541 421 I N 1.244 121.762 120.570 -0.087 0.000 2.315 421 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 421 I C -0.588 175.177 176.117 -0.586 0.000 1.006 421 I CA -0.664 60.500 61.300 -0.226 0.000 1.265 421 I CB 0.672 38.512 38.000 -0.267 0.000 1.387 421 I HN -0.081 nan 8.210 nan 0.000 0.475 422 Y N 5.295 125.344 120.300 -0.418 0.000 2.528 422 Y HA 0.546 5.096 4.550 -0.000 0.000 0.335 422 Y C -0.528 175.023 175.900 -0.582 0.000 1.093 422 Y CA -0.740 57.145 58.100 -0.359 0.000 1.134 422 Y CB 1.554 39.929 38.460 -0.142 0.000 1.253 422 Y HN 0.282 nan 8.280 nan 0.000 0.478 423 F N 1.229 121.283 119.950 0.172 0.000 2.427 423 F HA 0.712 5.239 4.527 -0.000 0.000 0.348 423 F C 0.403 176.277 175.800 0.123 0.000 1.125 423 F CA -0.596 57.480 58.000 0.126 0.000 0.989 423 F CB 1.123 40.181 39.000 0.097 0.000 1.165 423 F HN 0.601 nan 8.300 nan 0.000 0.442 424 A N 2.278 125.240 122.820 0.236 0.000 3.444 424 A HA 0.955 5.275 4.320 -0.000 0.000 0.189 424 A C 0.382 178.091 177.584 0.209 0.000 1.542 424 A CA -0.397 51.746 52.037 0.177 0.000 0.867 424 A CB -0.029 19.032 19.000 0.102 0.000 1.712 424 A HN 1.503 nan 8.150 nan 0.000 0.556 425 G N -2.531 106.370 108.800 0.168 0.000 2.785 425 G HA2 0.092 4.052 3.960 -0.000 0.000 0.686 425 G HA3 0.092 4.052 3.960 -0.000 0.000 0.686 425 G C 0.423 175.444 174.900 0.201 0.000 1.155 425 G CA 0.612 45.818 45.100 0.177 0.000 0.760 425 G HN 1.542 nan 8.290 nan 0.000 0.624 426 T N 0.229 114.900 114.554 0.196 0.000 2.849 426 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 426 T C 2.118 176.997 174.700 0.299 0.000 1.066 426 T CA 2.682 64.916 62.100 0.224 0.000 1.130 426 T CB -0.180 68.812 68.868 0.206 0.000 0.864 426 T HN 0.628 nan 8.240 nan 0.000 0.481 427 E N 0.504 120.892 120.200 0.314 0.000 2.267 427 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 427 E C 2.231 179.074 176.600 0.404 0.000 0.998 427 E CA 1.570 58.208 56.400 0.397 0.000 0.830 427 E CB -0.210 29.693 29.700 0.338 0.000 0.751 427 E HN 0.719 nan 8.360 nan 0.000 0.491 428 T N -2.626 112.132 114.554 0.339 0.000 3.086 428 T HA 0.453 4.803 4.350 -0.000 0.000 0.250 428 T C 0.804 175.733 174.700 0.382 0.000 1.074 428 T CA 0.018 62.322 62.100 0.340 0.000 0.988 428 T CB 0.192 69.240 68.868 0.300 0.000 0.988 428 T HN 0.101 nan 8.240 nan 0.000 0.530 429 A N 1.746 124.791 122.820 0.375 0.000 2.346 429 A HA 0.539 4.859 4.320 -0.000 0.000 0.252 429 A C 1.511 179.351 177.584 0.426 0.000 1.089 429 A CA 0.130 52.392 52.037 0.374 0.000 0.797 429 A CB 0.325 19.500 19.000 0.290 0.000 1.047 429 A HN 0.510 nan 8.150 nan 0.000 0.494 430 T N -2.564 112.221 114.554 0.385 0.000 3.010 430 T HA 0.242 4.592 4.350 -0.000 0.000 0.257 430 T C 0.240 175.044 174.700 0.173 0.000 1.020 430 T CA 0.667 62.947 62.100 0.300 0.000 0.938 430 T CB -0.382 68.596 68.868 0.182 0.000 1.049 430 T HN 0.760 nan 8.240 nan 0.000 0.522 431 H N -1.154 117.945 119.070 0.048 0.000 2.934 431 H HA 0.276 4.832 4.556 -0.000 0.000 0.340 431 H C -0.999 174.363 175.328 0.057 0.000 1.008 431 H CA -1.113 54.897 56.048 -0.064 0.000 1.317 431 H CB 0.943 30.726 29.762 0.036 0.000 1.670 431 H HN 0.293 nan 8.280 nan 0.000 0.516 432 W N 2.171 123.277 121.300 -0.325 0.000 4.849 432 W HA -0.253 4.407 4.660 0.000 0.000 0.358 432 W C 0.488 176.882 176.519 -0.208 0.000 1.331 432 W CA 0.976 58.105 57.345 -0.360 0.000 0.844 432 W CB -1.646 27.584 29.460 -0.385 0.000 2.434 432 W HN 0.408 nan 8.180 nan 0.000 1.458 433 S N 0.474 116.154 115.700 -0.034 0.000 2.558 433 S HA 0.370 4.840 4.470 -0.000 0.000 0.293 433 S C 1.395 176.090 174.600 0.158 0.000 1.292 433 S CA 1.793 60.074 58.200 0.135 0.000 1.063 433 S CB 0.747 64.123 63.200 0.293 0.000 0.831 433 S HN 1.372 nan 8.310 nan 0.000 0.499 434 G N 3.385 112.383 108.800 0.329 0.000 2.254 434 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.225 434 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.225 434 G C -0.188 174.894 174.900 0.303 0.000 1.003 434 G CA 0.184 45.546 45.100 0.436 0.000 0.622 434 G HN 0.632 nan 8.290 nan 0.000 0.507 435 L N 0.249 121.603 121.223 0.218 0.000 2.260 435 L HA 0.641 4.981 4.340 -0.000 0.000 0.265 435 L C 2.148 179.066 176.870 0.080 0.000 1.015 435 L CA -0.799 54.118 54.840 0.128 0.000 0.826 435 L CB 0.371 42.496 42.059 0.110 0.000 1.373 435 L HN 0.081 nan 8.230 nan 0.000 0.450 436 M N -0.187 119.426 119.600 0.021 0.000 2.159 436 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 436 M C 1.713 178.023 176.300 0.016 0.000 1.063 436 M CA 1.503 56.819 55.300 0.026 0.000 1.110 436 M CB -0.188 32.431 32.600 0.033 0.000 1.374 436 M HN 0.731 nan 8.290 nan 0.000 0.411 437 E N 0.764 120.936 120.200 -0.047 0.000 2.070 437 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 437 E C 1.942 178.573 176.600 0.052 0.000 1.004 437 E CA 2.109 58.476 56.400 -0.055 0.000 0.805 437 E CB -0.697 28.858 29.700 -0.241 0.000 0.744 437 E HN 0.430 nan 8.360 nan 0.000 0.451 438 G N 0.105 108.971 108.800 0.110 0.000 2.422 438 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 438 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 438 G C 1.722 176.709 174.900 0.146 0.000 1.146 438 G CA 1.238 46.434 45.100 0.160 0.000 0.769 438 G HN 0.486 nan 8.290 nan 0.000 0.547 439 A N 0.211 123.102 122.820 0.119 0.000 1.883 439 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 439 A C 2.628 180.259 177.584 0.080 0.000 1.186 439 A CA 2.046 54.145 52.037 0.104 0.000 0.624 439 A CB -0.701 18.349 19.000 0.084 0.000 0.822 439 A HN 0.281 nan 8.150 nan 0.000 0.444 440 V N 0.015 119.966 119.914 0.062 0.000 2.307 440 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 440 V C 2.529 178.656 176.094 0.054 0.000 1.045 440 V CA 2.191 64.518 62.300 0.045 0.000 1.024 440 V CB -0.821 31.021 31.823 0.031 0.000 0.651 440 V HN 0.737 nan 8.190 nan 0.000 0.449 441 E N 0.456 120.708 120.200 0.086 0.000 2.049 441 E HA -0.299 4.051 4.350 -0.000 0.000 0.198 441 E C 2.207 178.849 176.600 0.071 0.000 1.007 441 E CA 1.879 58.344 56.400 0.109 0.000 0.809 441 E CB -0.190 29.622 29.700 0.187 0.000 0.749 441 E HN 0.556 nan 8.360 nan 0.000 0.450 442 A N 0.465 123.344 122.820 0.099 0.000 1.929 442 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 442 A C 2.371 179.973 177.584 0.030 0.000 1.176 442 A CA 1.518 53.605 52.037 0.083 0.000 0.628 442 A CB -0.835 18.258 19.000 0.156 0.000 0.816 442 A HN 0.443 nan 8.150 nan 0.000 0.444 443 G N -0.280 108.541 108.800 0.035 0.000 2.404 443 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 443 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 443 G C 1.429 176.311 174.900 -0.030 0.000 1.174 443 G CA 0.934 46.042 45.100 0.013 0.000 0.780 443 G HN 0.636 nan 8.290 nan 0.000 0.537 444 E N -0.183 119.996 120.200 -0.035 0.000 2.106 444 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 444 E C 2.568 179.090 176.600 -0.130 0.000 0.984 444 E CA 0.212 56.575 56.400 -0.063 0.000 0.806 444 E CB -0.104 29.576 29.700 -0.035 0.000 0.750 444 E HN 0.190 nan 8.360 nan 0.000 0.458 445 R N 1.290 121.678 120.500 -0.188 0.000 2.073 445 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 445 R C 2.139 178.256 176.300 -0.304 0.000 1.134 445 R CA 1.544 57.415 56.100 -0.382 0.000 0.952 445 R CB -0.383 29.507 30.300 -0.684 0.000 0.850 445 R HN 0.155 nan 8.270 nan 0.000 0.433 446 A N 0.826 123.541 122.820 -0.174 0.000 1.902 446 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 446 A C 2.434 179.908 177.584 -0.184 0.000 1.181 446 A CA 1.920 53.894 52.037 -0.105 0.000 0.623 446 A CB -0.766 18.231 19.000 -0.005 0.000 0.818 446 A HN 0.518 nan 8.150 nan 0.000 0.443 447 A N -0.160 122.567 122.820 -0.155 0.000 1.883 447 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 447 A C 2.250 179.705 177.584 -0.214 0.000 1.186 447 A CA 1.628 53.565 52.037 -0.167 0.000 0.624 447 A CB -0.486 18.451 19.000 -0.105 0.000 0.822 447 A HN 0.554 nan 8.150 nan 0.000 0.444 448 R N -0.483 119.898 120.500 -0.198 0.000 2.148 448 R HA -0.076 4.264 4.340 -0.000 0.000 0.227 448 R C 2.011 178.186 176.300 -0.209 0.000 1.103 448 R CA 1.202 57.191 56.100 -0.183 0.000 0.983 448 R CB -0.255 29.948 30.300 -0.162 0.000 0.874 448 R HN 0.685 nan 8.270 nan 0.000 0.451 449 E N 0.710 120.745 120.200 -0.275 0.000 2.077 449 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 449 E C 1.957 178.240 176.600 -0.529 0.000 0.989 449 E CA 1.126 57.352 56.400 -0.290 0.000 0.800 449 E CB -0.087 29.480 29.700 -0.221 0.000 0.746 449 E HN 0.332 nan 8.360 nan 0.000 0.452 450 I N 0.937 121.059 120.570 -0.748 0.000 2.252 450 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 450 I C 2.325 178.109 176.117 -0.554 0.000 1.102 450 I CA 0.856 61.609 61.300 -0.912 0.000 1.385 450 I CB -0.157 37.355 38.000 -0.814 0.000 1.064 450 I HN 0.106 nan 8.210 nan 0.000 0.414 451 L N -0.082 120.947 121.223 -0.324 0.000 2.042 451 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 451 L C 2.728 179.523 176.870 -0.126 0.000 1.076 451 L CA 1.676 56.406 54.840 -0.183 0.000 0.749 451 L CB -0.927 41.062 42.059 -0.116 0.000 0.893 451 L HN 0.361 nan 8.230 nan 0.000 0.432 452 H N 0.110 119.066 119.070 -0.190 0.000 2.353 452 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 452 H C 2.132 177.395 175.328 -0.109 0.000 1.090 452 H CA 1.501 57.478 56.048 -0.119 0.000 1.327 452 H CB 0.029 29.738 29.762 -0.087 0.000 1.383 452 H HN 0.259 nan 8.280 nan 0.000 0.508 453 A N 0.493 123.145 122.820 -0.281 0.000 1.978 453 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 453 A C 2.256 179.742 177.584 -0.164 0.000 1.170 453 A CA 1.852 53.739 52.037 -0.249 0.000 0.636 453 A CB -0.636 18.190 19.000 -0.289 0.000 0.810 453 A HN 0.575 nan 8.150 nan 0.000 0.448 454 M N -1.281 118.208 119.600 -0.185 0.000 2.561 454 M HA 0.171 4.651 4.480 -0.000 0.000 0.238 454 M C 1.289 177.547 176.300 -0.070 0.000 1.131 454 M CA 0.703 55.970 55.300 -0.056 0.000 1.046 454 M CB 0.155 32.730 32.600 -0.041 0.000 1.532 454 M HN 0.604 nan 8.290 nan 0.000 0.497 455 G N 1.267 109.984 108.800 -0.139 0.000 2.160 455 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 455 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 455 G C 0.843 175.710 174.900 -0.056 0.000 1.008 455 G CA 0.510 45.542 45.100 -0.113 0.000 0.724 455 G HN 0.488 nan 8.290 nan 0.000 0.514 456 K N -0.584 119.785 120.400 -0.052 0.000 2.262 456 K HA 0.312 4.632 4.320 -0.000 0.000 0.200 456 K C 1.363 177.960 176.600 -0.005 0.000 1.049 456 K CA 1.265 57.535 56.287 -0.027 0.000 0.979 456 K CB 0.322 32.799 32.500 -0.038 0.000 0.773 456 K HN 0.809 nan 8.250 nan 0.000 0.474 457 I N -1.704 118.878 120.570 0.020 0.000 2.865 457 I HA 0.456 4.626 4.170 -0.000 0.000 0.302 457 I C -2.969 173.235 176.117 0.145 0.000 1.140 457 I CA -3.006 58.326 61.300 0.054 0.000 1.021 457 I CB 2.328 40.346 38.000 0.029 0.000 1.233 457 I HN -0.252 nan 8.210 nan 0.000 0.427 458 P HA 0.118 nan 4.420 nan 0.000 0.274 458 P C 0.219 177.558 177.300 0.064 0.000 1.246 458 P CA -0.011 63.176 63.100 0.146 0.000 0.795 458 P CB 1.136 32.880 31.700 0.072 0.000 1.006 459 E N 0.814 120.971 120.200 -0.071 0.000 2.097 459 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 459 E C 1.180 177.692 176.600 -0.147 0.000 1.000 459 E CA 1.608 57.760 56.400 -0.413 0.000 0.804 459 E CB -0.186 29.346 29.700 -0.279 0.000 0.740 459 E HN 0.495 nan 8.360 nan 0.000 0.454 460 D N -0.128 120.252 120.400 -0.034 0.000 2.378 460 D HA -0.151 4.489 4.640 -0.000 0.000 0.227 460 D C 0.842 177.166 176.300 0.040 0.000 1.012 460 D CA 0.630 54.643 54.000 0.022 0.000 0.905 460 D CB -0.111 40.705 40.800 0.026 0.000 0.895 460 D HN 0.350 nan 8.370 nan 0.000 0.532 461 E N -0.308 119.899 120.200 0.012 0.000 2.481 461 E HA 0.175 4.525 4.350 -0.000 0.000 0.198 461 E C 1.930 178.522 176.600 -0.013 0.000 1.027 461 E CA -0.298 56.111 56.400 0.015 0.000 0.900 461 E CB 0.399 30.106 29.700 0.011 0.000 0.993 461 E HN 0.311 nan 8.360 nan 0.000 0.482 462 I N 0.094 120.639 120.570 -0.042 0.000 2.142 462 I HA -0.192 3.978 4.170 -0.000 0.000 0.240 462 I C 0.509 176.481 176.117 -0.241 0.000 1.078 462 I CA 1.208 62.412 61.300 -0.160 0.000 1.343 462 I CB 0.030 37.920 38.000 -0.183 0.000 1.046 462 I HN 0.094 nan 8.210 nan 0.000 0.405 463 W N 1.521 122.818 121.300 -0.006 0.000 2.361 463 W HA 0.488 5.148 4.660 -0.000 0.000 0.309 463 W C 0.121 176.646 176.519 0.011 0.000 1.122 463 W CA -0.218 57.135 57.345 0.014 0.000 1.208 463 W CB 0.591 30.062 29.460 0.018 0.000 1.246 463 W HN -0.036 nan 8.180 nan 0.000 0.490 464 Q N 2.699 122.624 119.800 0.207 0.000 2.321 464 Q HA 0.404 4.743 4.340 -0.000 0.000 0.270 464 Q C 0.092 176.172 176.000 0.133 0.000 1.032 464 Q CA -0.545 55.335 55.803 0.128 0.000 0.784 464 Q CB 1.705 30.482 28.738 0.065 0.000 1.264 464 Q HN 0.568 nan 8.270 nan 0.000 0.448 465 S N 2.484 118.246 115.700 0.104 0.000 2.589 465 S HA 0.232 4.702 4.470 -0.000 0.000 0.265 465 S C -0.176 174.471 174.600 0.080 0.000 1.342 465 S CA -0.483 57.770 58.200 0.089 0.000 1.005 465 S CB 1.274 64.511 63.200 0.060 0.000 0.909 465 S HN 0.674 nan 8.310 nan 0.000 0.555 466 E N 0.956 121.206 120.200 0.083 0.000 2.199 466 E HA 0.573 4.923 4.350 -0.000 0.000 0.265 466 E C -2.815 173.821 176.600 0.061 0.000 0.882 466 E CA -2.147 54.296 56.400 0.073 0.000 0.759 466 E CB 1.052 30.806 29.700 0.090 0.000 1.148 466 E HN 0.538 nan 8.360 nan 0.000 0.412 467 P HA 0.075 nan 4.420 nan 0.000 0.269 467 P C -0.778 176.546 177.300 0.040 0.000 1.209 467 P CA -0.211 62.912 63.100 0.038 0.000 0.776 467 P CB 0.524 32.241 31.700 0.029 0.000 0.876 468 E N 1.601 121.823 120.200 0.037 0.000 2.384 468 E HA 0.079 4.429 4.350 -0.000 0.000 0.266 468 E C -0.097 176.519 176.600 0.027 0.000 1.012 468 E CA -0.295 56.127 56.400 0.036 0.000 0.901 468 E CB 0.400 30.120 29.700 0.034 0.000 0.967 468 E HN 0.381 nan 8.360 nan 0.000 0.435 469 S N 2.956 118.670 115.700 0.023 0.000 2.546 469 S HA -0.059 4.411 4.470 -0.000 0.000 0.290 469 S C 1.203 175.812 174.600 0.014 0.000 1.290 469 S CA -0.057 58.153 58.200 0.016 0.000 1.069 469 S CB 0.755 63.959 63.200 0.007 0.000 0.846 469 S HN 0.531 nan 8.310 nan 0.000 0.495 470 V N 1.955 121.878 119.914 0.015 0.000 2.871 470 V HA 0.051 4.171 4.120 -0.000 0.000 0.256 470 V C 1.499 177.600 176.094 0.012 0.000 1.082 470 V CA 1.493 63.801 62.300 0.014 0.000 1.105 470 V CB -0.574 31.257 31.823 0.014 0.000 0.713 470 V HN 0.807 nan 8.190 nan 0.000 0.473 471 D N 1.011 121.418 120.400 0.012 0.000 2.249 471 D HA 0.092 4.732 4.640 -0.000 0.000 0.205 471 D C 0.842 177.141 176.300 -0.000 0.000 0.962 471 D CA 1.094 55.100 54.000 0.010 0.000 0.860 471 D CB 0.743 41.553 40.800 0.017 0.000 0.955 471 D HN 0.517 nan 8.370 nan 0.000 0.505 472 V N 3.600 123.510 119.914 -0.007 0.000 2.320 472 V HA 0.197 4.317 4.120 -0.000 0.000 0.257 472 V C -2.411 173.676 176.094 -0.012 0.000 0.996 472 V CA -1.293 60.993 62.300 -0.022 0.000 0.928 472 V CB 1.198 32.990 31.823 -0.051 0.000 1.169 472 V HN -0.049 nan 8.190 nan 0.000 0.475 473 P HA 0.350 nan 4.420 nan 0.000 0.275 473 P C -0.326 176.980 177.300 0.009 0.000 1.228 473 P CA 0.081 63.185 63.100 0.007 0.000 0.786 473 P CB 1.555 33.261 31.700 0.009 0.000 0.927 474 A N 3.378 126.209 122.820 0.019 0.000 2.289 474 A HA 0.303 4.623 4.320 -0.000 0.000 0.298 474 A C 0.305 177.902 177.584 0.022 0.000 1.208 474 A CA -0.497 51.557 52.037 0.027 0.000 0.845 474 A CB 0.128 19.157 19.000 0.049 0.000 1.125 474 A HN 0.445 nan 8.150 nan 0.000 0.517 475 Q N 2.721 122.532 119.800 0.019 0.000 2.259 475 Q HA 0.338 4.678 4.340 -0.000 0.000 0.249 475 Q C -2.279 173.731 176.000 0.017 0.000 0.914 475 Q CA -1.766 54.046 55.803 0.016 0.000 0.904 475 Q CB 0.925 29.671 28.738 0.013 0.000 1.213 475 Q HN 0.560 nan 8.270 nan 0.000 0.428 476 P HA 0.128 nan 4.420 nan 0.000 0.269 476 P C -0.295 177.008 177.300 0.005 0.000 1.215 476 P CA -0.254 62.850 63.100 0.007 0.000 0.780 476 P CB 0.711 32.412 31.700 0.002 0.000 0.898 477 I N 2.165 122.734 120.570 -0.002 0.000 2.352 477 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 477 I C 1.211 177.320 176.117 -0.014 0.000 1.036 477 I CA 0.208 61.504 61.300 -0.007 0.000 1.336 477 I CB 0.140 38.130 38.000 -0.017 0.000 1.407 477 I HN 0.418 nan 8.210 nan 0.000 0.497 478 T N 2.056 116.604 114.554 -0.010 0.000 2.932 478 T HA 0.819 5.169 4.350 -0.000 0.000 0.289 478 T C -0.040 174.645 174.700 -0.026 0.000 1.039 478 T CA -0.687 61.405 62.100 -0.013 0.000 1.024 478 T CB 2.208 71.076 68.868 0.001 0.000 1.090 478 T HN 0.644 nan 8.240 nan 0.000 0.496 479 T N -1.242 113.292 114.554 -0.032 0.000 2.916 479 T HA 0.726 5.076 4.350 -0.000 0.000 0.292 479 T C 0.232 174.922 174.700 -0.016 0.000 1.055 479 T CA -0.728 61.342 62.100 -0.050 0.000 1.009 479 T CB 1.350 70.164 68.868 -0.091 0.000 1.118 479 T HN 1.025 nan 8.240 nan 0.000 0.497 480 T N -0.400 114.149 114.554 -0.009 0.000 2.902 480 T HA 0.413 4.763 4.350 -0.000 0.000 0.280 480 T C 0.859 175.608 174.700 0.081 0.000 0.992 480 T CA -0.855 61.277 62.100 0.054 0.000 1.015 480 T CB 0.673 69.578 68.868 0.062 0.000 1.044 480 T HN 0.541 nan 8.240 nan 0.000 0.520 481 F N 0.879 120.848 119.950 0.032 0.000 2.095 481 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 481 F C 1.933 177.803 175.800 0.117 0.000 1.104 481 F CA 1.487 59.550 58.000 0.104 0.000 1.232 481 F CB -0.443 38.620 39.000 0.105 0.000 0.987 481 F HN 0.508 nan 8.300 nan 0.000 0.475 482 L N -0.089 121.253 121.223 0.198 0.000 2.056 482 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 482 L C 2.392 179.258 176.870 -0.007 0.000 1.078 482 L CA 1.628 56.530 54.840 0.104 0.000 0.749 482 L CB -0.778 41.370 42.059 0.148 0.000 0.901 482 L HN 0.173 nan 8.230 nan 0.000 0.433 483 E N -0.069 120.116 120.200 -0.026 0.000 2.085 483 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 483 E C 2.351 178.834 176.600 -0.195 0.000 0.994 483 E CA 1.152 57.495 56.400 -0.096 0.000 0.801 483 E CB -0.017 29.617 29.700 -0.111 0.000 0.743 483 E HN 0.400 nan 8.360 nan 0.000 0.453 484 R N -0.445 119.874 120.500 -0.302 0.000 2.092 484 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 484 R C 1.792 177.700 176.300 -0.653 0.000 1.119 484 R CA 1.068 56.848 56.100 -0.532 0.000 0.970 484 R CB 0.012 29.864 30.300 -0.746 0.000 0.864 484 R HN 0.309 nan 8.270 nan 0.000 0.440 485 H N -0.851 118.022 119.070 -0.329 0.000 2.874 485 H HA 0.208 4.764 4.556 -0.000 0.000 0.264 485 H C 0.366 175.587 175.328 -0.179 0.000 1.007 485 H CA -0.192 55.663 56.048 -0.321 0.000 1.207 485 H CB 0.478 29.888 29.762 -0.586 0.000 1.487 485 H HN 0.024 nan 8.280 nan 0.000 0.505 486 L N 4.569 125.769 121.223 -0.039 0.000 2.490 486 L HA 0.053 4.393 4.340 -0.000 0.000 0.274 486 L C -1.665 175.190 176.870 -0.026 0.000 1.201 486 L CA -1.393 53.448 54.840 0.003 0.000 0.869 486 L CB 0.309 42.404 42.059 0.060 0.000 1.123 486 L HN -0.018 nan 8.230 nan 0.000 0.484 487 P HA 0.103 nan 4.420 nan 0.000 0.274 487 P C -0.549 176.707 177.300 -0.074 0.000 1.237 487 P CA -0.561 62.508 63.100 -0.051 0.000 0.793 487 P CB 1.014 32.683 31.700 -0.052 0.000 0.977 488 S N 0.370 116.007 115.700 -0.105 0.000 2.626 488 S HA 0.079 4.549 4.470 -0.000 0.000 0.257 488 S C 1.520 175.986 174.600 -0.223 0.000 1.288 488 S CA -0.531 57.582 58.200 -0.145 0.000 0.980 488 S CB -0.378 62.731 63.200 -0.150 0.000 0.975 488 S HN 0.221 nan 8.310 nan 0.000 0.577 489 V N 2.369 122.083 119.914 -0.332 0.000 2.261 489 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 489 V C -0.427 175.247 176.094 -0.700 0.000 1.047 489 V CA 1.930 63.942 62.300 -0.481 0.000 1.015 489 V CB -1.913 29.608 31.823 -0.503 0.000 0.642 489 V HN 0.804 nan 8.190 nan 0.000 0.446 490 P HA -0.105 nan 4.420 nan 0.000 0.218 490 P C 1.742 178.840 177.300 -0.337 0.000 1.149 490 P CA 1.946 64.601 63.100 -0.741 0.000 0.817 490 P CB -0.279 31.096 31.700 -0.541 0.000 0.785 491 G N 0.617 109.262 108.800 -0.258 0.000 2.418 491 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 491 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 491 G C 1.524 176.347 174.900 -0.128 0.000 1.158 491 G CA 0.563 45.575 45.100 -0.147 0.000 0.771 491 G HN 0.247 nan 8.290 nan 0.000 0.545 492 L N 0.347 121.479 121.223 -0.152 0.000 2.056 492 L HA 0.133 4.473 4.340 -0.000 0.000 0.207 492 L C 2.694 179.500 176.870 -0.107 0.000 1.078 492 L CA 1.264 56.037 54.840 -0.111 0.000 0.749 492 L CB -0.305 41.691 42.059 -0.105 0.000 0.901 492 L HN 0.201 nan 8.230 nan 0.000 0.433 493 L N -0.980 120.149 121.223 -0.157 0.000 2.046 493 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 493 L C 2.759 179.583 176.870 -0.077 0.000 1.077 493 L CA 1.221 55.988 54.840 -0.121 0.000 0.747 493 L CB -0.529 41.427 42.059 -0.170 0.000 0.896 493 L HN 0.210 nan 8.230 nan 0.000 0.432 494 R N -0.396 120.054 120.500 -0.084 0.000 2.096 494 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 494 R C 2.233 178.511 176.300 -0.037 0.000 1.127 494 R CA 1.099 57.169 56.100 -0.048 0.000 0.968 494 R CB -0.360 29.912 30.300 -0.046 0.000 0.861 494 R HN 0.200 nan 8.270 nan 0.000 0.440 495 L N 0.977 122.173 121.223 -0.044 0.000 2.093 495 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 495 L C 1.047 177.903 176.870 -0.024 0.000 1.085 495 L CA 1.316 56.137 54.840 -0.031 0.000 0.755 495 L CB -0.058 41.981 42.059 -0.033 0.000 0.904 495 L HN 0.017 nan 8.230 nan 0.000 0.435 496 I N 0.000 120.553 120.570 -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 -0.020 0.000 1.566 496 I CB 0.000 37.987 38.000 -0.022 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494