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 2rjr_1_A DATA FIRST_RESID 12 DATA SEQUENCE PVSVDGETLT VEAVRRVAEE RATVDVPAES IAKAQKSREI FEGIAEQNIP DATA SEQUENCE IYGVTTGYGE MIYMQVDKSK EVELQTNLVR SHSAGVGPLF AEDEARAIVA DATA SEQUENCE ARLNTLAKGH SAVRPIILER LAQYLNEGIT PAIPEIGSLG XXXDLAPLSH DATA SEQUENCE VASTLIGEGY VLRDGRPVET AQVLAERGIE PLELRFKEGL ALINGTSGMT DATA SEQUENCE GLGSLVVGRA LEQAQQAEIV TALLIEAVRG STSPFLAEGH DIARPHEGQI DATA SEQUENCE DTAANMRALM RGSGLTVEHA DLRRELQKDK EAGKDVQRSE IYLQKAYSLR DATA SEQUENCE AIPQVVGAVR DTLYHARHKL RIELNSANDN PLFFEGKEIF HGANFHGQPI DATA SEQUENCE AFAMDFVTIA LTQLGVLAER QINRVLNRHL SYGLPEFLVS GDPGLHSGFA DATA SEQUENCE GAQYPATALV AENRTIGPAS TQSVPSNGDN QDVVSMGLIS ARNARRVLSN DATA SEQUENCE NNKILAVEYL AAAQAVDISG RFDGLSPAAK ATYEAVRRLV PTLGVDRYMA DATA SEQUENCE DDIELVADAL SRGEFLRAIA RETDIQLR 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.302 177.300 0.003 0.000 1.155 12 P CA 0.000 63.102 63.100 0.003 0.000 0.800 12 P CB 0.000 31.701 31.700 0.002 0.000 0.726 13 V N 0.468 120.384 119.914 0.003 0.000 2.394 13 V HA 0.528 4.650 4.120 0.004 0.000 0.282 13 V C 0.285 176.380 176.094 0.001 0.000 1.031 13 V CA -0.321 61.980 62.300 0.003 0.000 0.881 13 V CB 1.618 33.443 31.823 0.003 0.000 0.982 13 V HN 0.684 nan 8.190 nan 0.000 0.451 14 S N 4.665 120.365 115.700 0.001 0.000 2.416 14 S HA 0.334 4.806 4.470 0.004 0.000 0.287 14 S C -0.280 174.319 174.600 -0.002 0.000 1.139 14 S CA -0.500 57.700 58.200 -0.001 0.000 1.058 14 S CB 0.495 63.695 63.200 -0.001 0.000 0.967 14 S HN 0.499 nan 8.310 nan 0.000 0.495 15 V N 6.549 126.460 119.914 -0.005 0.000 2.284 15 V HA 0.222 4.344 4.120 0.004 0.000 0.260 15 V C 0.302 176.390 176.094 -0.010 0.000 1.084 15 V CA -0.391 61.905 62.300 -0.007 0.000 0.894 15 V CB 0.525 32.343 31.823 -0.009 0.000 1.119 15 V HN 0.944 nan 8.190 nan 0.000 0.484 16 D N 2.160 122.555 120.400 -0.007 0.000 2.431 16 D HA 0.186 4.829 4.640 0.004 0.000 0.213 16 D C 1.504 177.799 176.300 -0.008 0.000 1.130 16 D CA 0.406 54.400 54.000 -0.010 0.000 0.834 16 D CB 0.530 41.327 40.800 -0.006 0.000 0.985 16 D HN 0.585 nan 8.370 nan 0.000 0.504 17 G N 0.310 109.108 108.800 -0.004 0.000 2.175 17 G HA2 -0.331 3.631 3.960 0.004 0.000 0.265 17 G HA3 -0.331 3.631 3.960 0.004 0.000 0.265 17 G C 0.856 175.765 174.900 0.015 0.000 0.979 17 G CA 0.825 45.927 45.100 0.003 0.000 0.663 17 G HN 0.391 nan 8.290 nan 0.000 0.533 18 E N -1.668 118.540 120.200 0.012 0.000 2.475 18 E HA 0.077 4.429 4.350 0.004 0.000 0.205 18 E C 2.108 178.718 176.600 0.017 0.000 0.822 18 E CA 1.452 57.864 56.400 0.019 0.000 1.240 18 E CB -0.157 29.554 29.700 0.018 0.000 1.222 18 E HN 0.733 nan 8.360 nan 0.000 0.581 19 T N -0.712 113.849 114.554 0.012 0.000 3.132 19 T HA 0.297 4.649 4.350 0.004 0.000 0.274 19 T C 0.562 175.269 174.700 0.011 0.000 1.011 19 T CA -0.390 61.717 62.100 0.012 0.000 0.899 19 T CB -0.082 68.792 68.868 0.010 0.000 1.089 19 T HN -0.137 nan 8.240 nan 0.000 0.543 20 L N 4.354 125.583 121.223 0.009 0.000 2.453 20 L HA 0.460 4.802 4.340 0.004 0.000 0.272 20 L C 0.497 177.374 176.870 0.011 0.000 1.182 20 L CA 0.671 55.516 54.840 0.007 0.000 0.858 20 L CB 0.692 42.753 42.059 0.004 0.000 1.120 20 L HN 0.527 nan 8.230 nan 0.000 0.474 21 T N 0.903 115.464 114.554 0.012 0.000 2.949 21 T HA 0.434 4.786 4.350 0.004 0.000 0.287 21 T C 1.111 175.821 174.700 0.016 0.000 1.034 21 T CA -0.530 61.580 62.100 0.017 0.000 1.018 21 T CB 1.179 70.058 68.868 0.017 0.000 1.135 21 T HN 0.268 nan 8.240 nan 0.000 0.532 22 V N 0.742 120.669 119.914 0.022 0.000 2.343 22 V HA -0.117 4.005 4.120 0.004 0.000 0.247 22 V C 2.823 178.929 176.094 0.021 0.000 1.051 22 V CA 2.322 64.635 62.300 0.022 0.000 1.036 22 V CB -0.942 30.902 31.823 0.035 0.000 0.654 22 V HN 1.075 nan 8.190 nan 0.000 0.451 23 E N 0.334 120.548 120.200 0.023 0.000 2.058 23 E HA -0.265 4.087 4.350 0.004 0.000 0.194 23 E C 2.225 178.834 176.600 0.014 0.000 0.997 23 E CA 1.546 57.958 56.400 0.021 0.000 0.801 23 E CB -0.251 29.461 29.700 0.021 0.000 0.746 23 E HN 0.566 nan 8.360 nan 0.000 0.450 24 A N 0.425 123.252 122.820 0.012 0.000 1.933 24 A HA -0.140 4.183 4.320 0.004 0.000 0.218 24 A C 2.394 179.981 177.584 0.006 0.000 1.175 24 A CA 1.446 53.488 52.037 0.008 0.000 0.628 24 A CB -0.598 18.407 19.000 0.007 0.000 0.814 24 A HN 0.239 nan 8.150 nan 0.000 0.444 25 V N -0.001 119.916 119.914 0.005 0.000 2.343 25 V HA -0.276 3.846 4.120 0.004 0.000 0.247 25 V C 2.632 178.727 176.094 0.001 0.000 1.051 25 V CA 2.275 64.575 62.300 0.000 0.000 1.036 25 V CB -0.803 31.018 31.823 -0.003 0.000 0.654 25 V HN 0.544 nan 8.190 nan 0.000 0.451 26 R N -0.350 120.154 120.500 0.006 0.000 2.096 26 R HA -0.111 4.231 4.340 0.004 0.000 0.235 26 R C 2.538 178.842 176.300 0.007 0.000 1.127 26 R CA 1.317 57.421 56.100 0.007 0.000 0.968 26 R CB -0.354 29.954 30.300 0.013 0.000 0.861 26 R HN 0.482 nan 8.270 nan 0.000 0.440 27 R N 0.176 120.680 120.500 0.007 0.000 2.083 27 R HA -0.117 4.225 4.340 0.004 0.000 0.237 27 R C 2.320 178.623 176.300 0.005 0.000 1.137 27 R CA 1.577 57.681 56.100 0.006 0.000 0.951 27 R CB -0.490 29.814 30.300 0.006 0.000 0.851 27 R HN 0.065 nan 8.270 nan 0.000 0.434 28 V N 0.789 120.706 119.914 0.004 0.000 2.295 28 V HA -0.238 3.884 4.120 0.004 0.000 0.246 28 V C 2.390 178.487 176.094 0.005 0.000 1.049 28 V CA 2.057 64.360 62.300 0.005 0.000 1.024 28 V CB -0.647 31.178 31.823 0.004 0.000 0.648 28 V HN 0.433 nan 8.190 nan 0.000 0.447 29 A N -0.467 122.354 122.820 0.002 0.000 1.872 29 A HA -0.160 4.162 4.320 0.004 0.000 0.214 29 A C 2.169 179.755 177.584 0.004 0.000 1.187 29 A CA 1.685 53.722 52.037 0.001 0.000 0.614 29 A CB -0.340 18.656 19.000 -0.007 0.000 0.826 29 A HN 0.600 nan 8.150 nan 0.000 0.442 30 E N -0.485 119.718 120.200 0.005 0.000 2.102 30 E HA -0.039 4.313 4.350 0.004 0.000 0.190 30 E C 1.395 177.998 176.600 0.004 0.000 0.971 30 E CA 0.877 57.281 56.400 0.006 0.000 0.821 30 E CB 0.009 29.713 29.700 0.007 0.000 0.777 30 E HN 0.655 nan 8.360 nan 0.000 0.460 31 E N 0.408 120.611 120.200 0.004 0.000 2.463 31 E HA 0.106 4.458 4.350 0.004 0.000 0.193 31 E C -0.235 176.367 176.600 0.003 0.000 1.041 31 E CA -0.177 56.225 56.400 0.003 0.000 0.879 31 E CB 0.450 30.151 29.700 0.002 0.000 0.997 31 E HN 0.021 nan 8.360 nan 0.000 0.478 32 R N -0.341 120.162 120.500 0.004 0.000 3.641 32 R HA -0.180 4.162 4.340 0.004 0.000 0.286 32 R C -0.338 175.965 176.300 0.006 0.000 1.153 32 R CA 0.747 56.850 56.100 0.006 0.000 0.775 32 R CB -2.614 27.688 30.300 0.004 0.000 1.215 32 R HN 0.234 nan 8.270 nan 0.000 0.474 33 A N 0.590 123.413 122.820 0.006 0.000 2.498 33 A HA 0.292 4.614 4.320 0.004 0.000 0.239 33 A C 0.696 178.284 177.584 0.007 0.000 1.068 33 A CA 0.346 52.387 52.037 0.005 0.000 0.766 33 A CB 0.330 19.333 19.000 0.005 0.000 1.003 33 A HN 0.225 nan 8.150 nan 0.000 0.497 34 T N 1.754 116.312 114.554 0.007 0.000 2.930 34 T HA 0.368 4.720 4.350 0.004 0.000 0.306 34 T C 0.231 174.935 174.700 0.007 0.000 1.045 34 T CA 0.027 62.132 62.100 0.008 0.000 1.134 34 T CB 0.481 69.353 68.868 0.007 0.000 0.961 34 T HN 0.429 nan 8.240 nan 0.000 0.545 35 V N 2.754 122.673 119.914 0.008 0.000 2.630 35 V HA 0.552 4.674 4.120 0.004 0.000 0.305 35 V C -0.284 175.812 176.094 0.003 0.000 1.046 35 V CA -0.653 61.651 62.300 0.006 0.000 0.934 35 V CB 2.065 33.892 31.823 0.007 0.000 1.003 35 V HN 0.968 nan 8.190 nan 0.000 0.451 36 D N 2.175 122.575 120.400 -0.000 0.000 2.736 36 D HA 0.391 5.033 4.640 0.004 0.000 0.243 36 D C -1.158 175.139 176.300 -0.006 0.000 1.304 36 D CA -0.300 53.699 54.000 -0.002 0.000 0.934 36 D CB 2.019 42.818 40.800 -0.001 0.000 1.382 36 D HN 0.249 nan 8.370 nan 0.000 0.571 37 V N 6.308 126.216 119.914 -0.010 0.000 2.389 37 V HA 0.368 4.490 4.120 0.004 0.000 0.264 37 V C -1.596 174.489 176.094 -0.014 0.000 1.049 37 V CA -1.192 61.099 62.300 -0.015 0.000 0.932 37 V CB 0.704 32.514 31.823 -0.021 0.000 1.011 37 V HN 0.564 nan 8.190 nan 0.000 0.475 38 P HA 0.004 nan 4.420 nan 0.000 0.266 38 P C 0.788 178.080 177.300 -0.014 0.000 1.193 38 P CA 0.165 63.258 63.100 -0.011 0.000 0.770 38 P CB 1.010 32.704 31.700 -0.009 0.000 0.836 39 A N 3.355 126.168 122.820 -0.012 0.000 1.948 39 A HA -0.239 4.083 4.320 0.004 0.000 0.220 39 A C 2.083 179.657 177.584 -0.016 0.000 1.177 39 A CA 1.794 53.823 52.037 -0.013 0.000 0.636 39 A CB -1.080 17.915 19.000 -0.010 0.000 0.815 39 A HN 0.664 nan 8.150 nan 0.000 0.449 40 E N -0.298 119.894 120.200 -0.014 0.000 2.077 40 E HA -0.122 4.230 4.350 0.004 0.000 0.193 40 E C 2.329 178.915 176.600 -0.024 0.000 0.989 40 E CA 1.323 57.714 56.400 -0.015 0.000 0.800 40 E CB -0.162 29.532 29.700 -0.010 0.000 0.746 40 E HN 0.614 nan 8.360 nan 0.000 0.452 41 S N 0.813 116.497 115.700 -0.027 0.000 2.355 41 S HA -0.123 4.349 4.470 0.004 0.000 0.222 41 S C 1.987 176.560 174.600 -0.045 0.000 1.031 41 S CA 0.708 58.885 58.200 -0.038 0.000 0.993 41 S CB -0.105 63.075 63.200 -0.034 0.000 0.859 41 S HN 0.180 nan 8.310 nan 0.000 0.453 42 I N 2.228 122.776 120.570 -0.037 0.000 2.208 42 I HA -0.206 3.966 4.170 0.004 0.000 0.245 42 I C 2.694 178.787 176.117 -0.040 0.000 1.097 42 I CA 1.381 62.657 61.300 -0.039 0.000 1.363 42 I CB -1.820 36.162 38.000 -0.030 0.000 1.051 42 I HN 0.231 nan 8.210 nan 0.000 0.413 43 A N 0.591 123.392 122.820 -0.033 0.000 1.877 43 A HA -0.251 4.071 4.320 0.004 0.000 0.216 43 A C 2.470 180.031 177.584 -0.039 0.000 1.186 43 A CA 1.926 53.946 52.037 -0.030 0.000 0.620 43 A CB -0.590 18.398 19.000 -0.020 0.000 0.822 43 A HN 0.351 nan 8.150 nan 0.000 0.443 44 K N -0.553 119.819 120.400 -0.046 0.000 2.097 44 K HA -0.058 4.264 4.320 0.004 0.000 0.206 44 K C 2.208 178.754 176.600 -0.089 0.000 1.049 44 K CA 1.059 57.310 56.287 -0.061 0.000 0.933 44 K CB -0.291 32.164 32.500 -0.074 0.000 0.717 44 K HN 0.416 nan 8.250 nan 0.000 0.442 45 A N 0.846 123.611 122.820 -0.091 0.000 1.858 45 A HA -0.265 4.058 4.320 0.004 0.000 0.216 45 A C 2.088 179.611 177.584 -0.103 0.000 1.190 45 A CA 1.860 53.833 52.037 -0.107 0.000 0.617 45 A CB -0.774 18.173 19.000 -0.088 0.000 0.827 45 A HN 0.394 nan 8.150 nan 0.000 0.443 46 Q N 0.178 119.934 119.800 -0.074 0.000 2.045 46 Q HA -0.247 4.096 4.340 0.004 0.000 0.206 46 Q C 2.063 178.020 176.000 -0.071 0.000 0.991 46 Q CA 2.659 58.425 55.803 -0.061 0.000 0.851 46 Q CB -0.364 28.349 28.738 -0.042 0.000 0.911 46 Q HN 0.660 nan 8.270 nan 0.000 0.418 47 K N -0.843 119.518 120.400 -0.065 0.000 2.074 47 K HA -0.168 4.154 4.320 0.004 0.000 0.209 47 K C 2.072 178.591 176.600 -0.135 0.000 1.048 47 K CA 1.735 57.984 56.287 -0.063 0.000 0.926 47 K CB -0.223 32.262 32.500 -0.024 0.000 0.713 47 K HN 0.242 nan 8.250 nan 0.000 0.444 48 S N 0.471 116.049 115.700 -0.202 0.000 2.368 48 S HA -0.131 4.341 4.470 0.004 0.000 0.224 48 S C 1.832 176.144 174.600 -0.481 0.000 1.029 48 S CA 1.285 59.197 58.200 -0.480 0.000 0.988 48 S CB -0.316 62.665 63.200 -0.365 0.000 0.838 48 S HN 0.307 nan 8.310 nan 0.000 0.462 49 R N 1.784 122.142 120.500 -0.236 0.000 2.073 49 R HA -0.059 4.283 4.340 0.004 0.000 0.234 49 R C 1.984 178.252 176.300 -0.053 0.000 1.134 49 R CA 1.759 57.796 56.100 -0.105 0.000 0.952 49 R CB -0.636 29.630 30.300 -0.056 0.000 0.850 49 R HN 0.509 nan 8.270 nan 0.000 0.433 50 E N -0.153 120.001 120.200 -0.075 0.000 2.038 50 E HA -0.200 4.152 4.350 0.004 0.000 0.195 50 E C 2.098 178.664 176.600 -0.057 0.000 1.000 50 E CA 1.772 58.145 56.400 -0.045 0.000 0.803 50 E CB -0.268 29.411 29.700 -0.035 0.000 0.750 50 E HN 0.376 nan 8.360 nan 0.000 0.448 51 I N 0.477 120.986 120.570 -0.103 0.000 2.179 51 I HA -0.253 3.919 4.170 0.004 0.000 0.242 51 I C 2.399 178.481 176.117 -0.059 0.000 1.088 51 I CA 0.931 62.197 61.300 -0.057 0.000 1.357 51 I CB -0.279 37.721 38.000 -0.001 0.000 1.051 51 I HN 0.056 nan 8.210 nan 0.000 0.409 52 F N 2.018 121.758 119.950 -0.350 0.000 2.095 52 F HA -0.231 4.298 4.527 0.004 0.000 0.298 52 F C 2.454 178.165 175.800 -0.148 0.000 1.104 52 F CA 1.795 59.658 58.000 -0.229 0.000 1.232 52 F CB -0.339 38.479 39.000 -0.304 0.000 0.987 52 F HN 0.038 nan 8.300 nan 0.000 0.475 53 E N -0.254 119.865 120.200 -0.136 0.000 2.118 53 E HA -0.197 4.156 4.350 0.004 0.000 0.195 53 E C 2.464 178.914 176.600 -0.249 0.000 0.992 53 E CA 0.974 57.261 56.400 -0.188 0.000 0.804 53 E CB -0.738 28.972 29.700 0.017 0.000 0.741 53 E HN 0.587 nan 8.360 nan 0.000 0.458 54 G N 0.936 109.641 108.800 -0.160 0.000 2.432 54 G HA2 -0.224 3.738 3.960 0.004 0.000 0.219 54 G HA3 -0.224 3.738 3.960 0.004 0.000 0.219 54 G C 1.542 176.334 174.900 -0.179 0.000 1.135 54 G CA 0.522 45.549 45.100 -0.122 0.000 0.767 54 G HN 0.143 nan 8.290 nan 0.000 0.550 55 I N 0.959 121.372 120.570 -0.261 0.000 2.333 55 I HA -0.017 4.156 4.170 0.004 0.000 0.246 55 I C 3.211 179.073 176.117 -0.426 0.000 1.106 55 I CA 0.785 61.919 61.300 -0.276 0.000 1.411 55 I CB -0.175 37.691 38.000 -0.225 0.000 1.082 55 I HN 0.206 nan 8.210 nan 0.000 0.420 56 A N 0.429 122.802 122.820 -0.745 0.000 1.972 56 A HA -0.172 4.150 4.320 0.004 0.000 0.219 56 A C 2.145 179.339 177.584 -0.651 0.000 1.169 56 A CA 1.336 52.811 52.037 -0.937 0.000 0.635 56 A CB -0.383 17.575 19.000 -1.736 0.000 0.810 56 A HN 0.325 nan 8.150 nan 0.000 0.446 57 E N 0.286 120.228 120.200 -0.431 0.000 2.265 57 E HA -0.167 4.185 4.350 0.004 0.000 0.196 57 E C 1.632 178.158 176.600 -0.123 0.000 0.996 57 E CA 0.868 57.163 56.400 -0.175 0.000 0.832 57 E CB -0.305 29.341 29.700 -0.091 0.000 0.756 57 E HN 0.778 nan 8.360 nan 0.000 0.491 58 Q N 0.546 120.254 119.800 -0.154 0.000 2.482 58 Q HA -0.001 4.342 4.340 0.004 0.000 0.209 58 Q C -0.050 175.898 176.000 -0.086 0.000 0.961 58 Q CA -0.230 55.514 55.803 -0.098 0.000 0.945 58 Q CB -0.084 28.599 28.738 -0.091 0.000 1.012 58 Q HN 0.099 nan 8.270 nan 0.000 0.515 59 N N 1.141 119.777 118.700 -0.108 0.000 2.705 59 N HA -0.186 4.556 4.740 0.004 0.000 0.255 59 N C -1.012 174.454 175.510 -0.073 0.000 1.008 59 N CA 0.813 53.816 53.050 -0.079 0.000 0.742 59 N CB -1.017 37.452 38.487 -0.030 0.000 0.906 59 N HN 0.371 nan 8.380 nan 0.000 0.541 60 I N 0.474 120.982 120.570 -0.104 0.000 2.499 60 I HA 0.240 4.412 4.170 0.004 0.000 0.296 60 I C -1.770 174.318 176.117 -0.048 0.000 0.992 60 I CA -2.007 59.252 61.300 -0.068 0.000 1.297 60 I CB 1.007 38.966 38.000 -0.068 0.000 1.410 60 I HN -0.145 nan 8.210 nan 0.000 0.507 61 P HA 0.226 nan 4.420 nan 0.000 0.264 61 P C -0.913 176.420 177.300 0.056 0.000 1.229 61 P CA 0.571 63.674 63.100 0.005 0.000 0.780 61 P CB 0.073 31.770 31.700 -0.006 0.000 0.808 62 I N 3.699 124.329 120.570 0.100 0.000 2.548 62 I HA 0.198 4.370 4.170 0.004 0.000 0.287 62 I C -0.297 175.962 176.117 0.236 0.000 1.103 62 I CA -1.308 60.145 61.300 0.254 0.000 1.049 62 I CB 1.661 39.785 38.000 0.207 0.000 1.232 62 I HN 0.224 nan 8.210 nan 0.000 0.429 63 Y N 5.898 126.374 120.300 0.293 0.000 2.805 63 Y HA 0.233 4.785 4.550 0.004 0.000 0.331 63 Y C 1.381 177.278 175.900 -0.006 0.000 1.241 63 Y CA 1.393 59.554 58.100 0.102 0.000 1.546 63 Y CB 0.455 39.003 38.460 0.148 0.000 1.248 63 Y HN 0.860 nan 8.280 nan 0.000 0.559 64 G N 3.177 111.314 108.800 -1.105 0.000 2.189 64 G HA2 -0.306 3.656 3.960 0.004 0.000 0.267 64 G HA3 -0.306 3.656 3.960 0.004 0.000 0.267 64 G C 0.530 175.213 174.900 -0.362 0.000 0.975 64 G CA 0.680 45.134 45.100 -1.078 0.000 0.644 64 G HN 0.748 nan 8.290 nan 0.000 0.537 65 V N -0.125 119.693 119.914 -0.160 0.000 2.911 65 V HA 0.239 4.361 4.120 0.004 0.000 0.237 65 V C 1.993 178.114 176.094 0.045 0.000 1.156 65 V CA 2.327 64.672 62.300 0.074 0.000 1.180 65 V CB 0.675 32.611 31.823 0.188 0.000 0.932 65 V HN 0.892 nan 8.190 nan 0.000 0.483 66 T N -1.450 113.085 114.554 -0.032 0.000 3.339 66 T HA 0.376 4.728 4.350 0.004 0.000 0.292 66 T C 0.138 174.794 174.700 -0.074 0.000 1.012 66 T CA 0.396 62.480 62.100 -0.027 0.000 0.937 66 T CB 0.083 68.938 68.868 -0.022 0.000 1.164 66 T HN 0.543 nan 8.240 nan 0.000 0.509 67 T N -2.272 112.176 114.554 -0.176 0.000 2.792 67 T HA 0.744 5.096 4.350 0.004 0.000 0.303 67 T C 0.407 174.861 174.700 -0.409 0.000 1.310 67 T CA -0.322 61.658 62.100 -0.201 0.000 1.007 67 T CB 1.306 70.115 68.868 -0.099 0.000 1.335 67 T HN 0.300 nan 8.240 nan 0.000 0.504 68 G N -0.446 108.159 108.800 -0.325 0.000 2.653 68 G HA2 0.513 4.475 3.960 0.004 0.000 0.265 68 G HA3 0.513 4.475 3.960 0.004 0.000 0.265 68 G C -1.217 173.397 174.900 -0.476 0.000 1.237 68 G CA -0.655 44.225 45.100 -0.367 0.000 0.946 68 G HN 0.665 nan 8.290 nan 0.000 0.522 69 Y N -0.430 119.834 120.300 -0.060 0.000 2.387 69 Y HA 0.486 5.038 4.550 0.003 0.000 0.330 69 Y C 1.292 177.294 175.900 0.170 0.000 1.133 69 Y CA 0.503 58.626 58.100 0.039 0.000 1.152 69 Y CB 1.523 39.942 38.460 -0.068 0.000 1.215 69 Y HN 1.123 nan 8.280 nan 0.000 0.466 70 G N 1.623 110.705 108.800 0.470 0.000 2.611 70 G HA2 -0.479 3.483 3.960 0.004 0.000 0.301 70 G HA3 -0.479 3.483 3.960 0.004 0.000 0.301 70 G C 1.141 176.126 174.900 0.143 0.000 1.233 70 G CA 0.947 46.178 45.100 0.219 0.000 0.993 70 G HN 0.718 nan 8.290 nan 0.000 0.553 71 E N 0.493 120.763 120.200 0.118 0.000 2.160 71 E HA 0.006 4.358 4.350 0.004 0.000 0.195 71 E C 2.528 179.171 176.600 0.072 0.000 0.991 71 E CA 1.988 58.468 56.400 0.134 0.000 0.810 71 E CB -0.287 29.509 29.700 0.159 0.000 0.742 71 E HN 0.524 nan 8.360 nan 0.000 0.466 72 M N 0.366 119.910 119.600 -0.094 0.000 2.704 72 M HA 0.106 4.588 4.480 0.004 0.000 0.215 72 M C 1.539 177.541 176.300 -0.496 0.000 1.156 72 M CA 0.149 55.114 55.300 -0.558 0.000 1.002 72 M CB -0.043 32.367 32.600 -0.317 0.000 1.781 72 M HN 0.189 nan 8.290 nan 0.000 0.486 73 I N 0.316 120.784 120.570 -0.171 0.000 2.756 73 I HA -0.262 3.910 4.170 0.004 0.000 0.262 73 I C 1.867 177.961 176.117 -0.038 0.000 1.225 73 I CA 1.149 62.442 61.300 -0.012 0.000 1.472 73 I CB 0.046 38.138 38.000 0.153 0.000 1.094 73 I HN 0.430 nan 8.210 nan 0.000 0.454 74 Y N -0.774 119.557 120.300 0.052 0.000 2.571 74 Y HA 0.152 4.704 4.550 0.003 0.000 0.294 74 Y C 0.862 176.776 175.900 0.023 0.000 1.141 74 Y CA -0.297 57.822 58.100 0.032 0.000 1.308 74 Y CB -0.679 37.798 38.460 0.028 0.000 1.002 74 Y HN -0.032 nan 8.280 nan 0.000 0.551 75 M N 2.766 122.242 119.600 -0.206 0.000 2.108 75 M HA 0.222 4.704 4.480 0.004 0.000 0.354 75 M C -0.717 175.547 176.300 -0.061 0.000 1.229 75 M CA -0.491 54.754 55.300 -0.093 0.000 1.081 75 M CB 1.176 33.658 32.600 -0.198 0.000 1.606 75 M HN 0.225 nan 8.290 nan 0.000 0.467 76 Q N 2.950 122.745 119.800 -0.007 0.000 2.278 76 Q HA 0.543 4.885 4.340 0.004 0.000 0.257 76 Q C -0.696 175.293 176.000 -0.018 0.000 0.928 76 Q CA -0.405 55.390 55.803 -0.013 0.000 0.932 76 Q CB 1.755 30.499 28.738 0.009 0.000 1.221 76 Q HN 0.456 nan 8.270 nan 0.000 0.434 77 V N 2.531 122.426 119.914 -0.031 0.000 2.417 77 V HA 0.167 4.289 4.120 0.004 0.000 0.291 77 V C 0.239 176.338 176.094 0.008 0.000 1.024 77 V CA -0.903 61.387 62.300 -0.017 0.000 0.861 77 V CB 1.921 33.723 31.823 -0.035 0.000 0.985 77 V HN 0.706 nan 8.190 nan 0.000 0.436 78 D N 3.817 124.228 120.400 0.018 0.000 2.414 78 D HA 0.037 4.679 4.640 0.004 0.000 0.242 78 D C 1.253 177.594 176.300 0.068 0.000 1.129 78 D CA -0.285 53.735 54.000 0.033 0.000 0.885 78 D CB 1.291 42.106 40.800 0.024 0.000 1.198 78 D HN 0.755 nan 8.370 nan 0.000 0.437 79 K N 0.757 121.219 120.400 0.104 0.000 2.286 79 K HA -0.178 4.144 4.320 0.004 0.000 0.203 79 K C 1.482 178.169 176.600 0.145 0.000 1.045 79 K CA 1.586 58.010 56.287 0.228 0.000 0.935 79 K CB -0.178 32.472 32.500 0.249 0.000 0.737 79 K HN 0.271 nan 8.250 nan 0.000 0.460 80 S N 0.445 116.185 115.700 0.067 0.000 2.507 80 S HA 0.015 4.487 4.470 0.004 0.000 0.235 80 S C 1.216 175.809 174.600 -0.011 0.000 0.988 80 S CA 0.309 58.520 58.200 0.019 0.000 0.944 80 S CB 0.043 63.251 63.200 0.014 0.000 0.762 80 S HN 0.213 nan 8.310 nan 0.000 0.526 81 K N 1.448 121.850 120.400 0.003 0.000 2.446 81 K HA 0.247 4.569 4.320 0.004 0.000 0.203 81 K C 1.476 178.051 176.600 -0.041 0.000 1.027 81 K CA 0.106 56.385 56.287 -0.014 0.000 1.166 81 K CB -0.032 32.472 32.500 0.006 0.000 0.869 81 K HN 0.724 nan 8.250 nan 0.000 0.504 82 E N 1.084 121.220 120.200 -0.107 0.000 2.082 82 E HA -0.251 4.101 4.350 0.004 0.000 0.215 82 E C 1.444 177.921 176.600 -0.205 0.000 1.048 82 E CA 2.337 58.569 56.400 -0.279 0.000 0.869 82 E CB 0.020 29.250 29.700 -0.783 0.000 0.773 82 E HN -0.012 nan 8.360 nan 0.000 0.466 83 V N 0.899 120.699 119.914 -0.190 0.000 2.358 83 V HA -0.204 3.918 4.120 0.004 0.000 0.246 83 V C 2.505 178.558 176.094 -0.069 0.000 1.047 83 V CA 2.193 64.417 62.300 -0.127 0.000 1.035 83 V CB -0.695 31.058 31.823 -0.116 0.000 0.658 83 V HN 0.382 nan 8.190 nan 0.000 0.452 84 E N -0.103 120.067 120.200 -0.051 0.000 2.110 84 E HA -0.242 4.110 4.350 0.004 0.000 0.193 84 E C 2.188 178.789 176.600 0.001 0.000 0.988 84 E CA 1.201 57.586 56.400 -0.025 0.000 0.804 84 E CB -0.086 29.603 29.700 -0.018 0.000 0.745 84 E HN 0.399 nan 8.360 nan 0.000 0.458 85 L N 1.388 122.622 121.223 0.019 0.000 1.989 85 L HA -0.242 4.100 4.340 0.004 0.000 0.211 85 L C 2.156 179.092 176.870 0.111 0.000 1.071 85 L CA 1.863 56.754 54.840 0.086 0.000 0.749 85 L CB -0.779 41.330 42.059 0.084 0.000 0.890 85 L HN 0.144 nan 8.230 nan 0.000 0.431 86 Q N -0.945 118.889 119.800 0.056 0.000 2.124 86 Q HA -0.126 4.217 4.340 0.004 0.000 0.202 86 Q C 2.100 178.069 176.000 -0.053 0.000 0.977 86 Q CA 2.063 57.873 55.803 0.011 0.000 0.850 86 Q CB -0.828 27.907 28.738 -0.004 0.000 0.901 86 Q HN 0.563 nan 8.270 nan 0.000 0.429 87 T N 1.708 116.238 114.554 -0.040 0.000 2.770 87 T HA -0.053 4.299 4.350 0.004 0.000 0.263 87 T C 1.578 176.248 174.700 -0.049 0.000 1.039 87 T CA 1.096 63.166 62.100 -0.050 0.000 1.142 87 T CB -0.158 68.685 68.868 -0.043 0.000 0.868 87 T HN 0.220 nan 8.240 nan 0.000 0.435 88 N N 1.459 120.144 118.700 -0.026 0.000 2.149 88 N HA -0.052 4.691 4.740 0.004 0.000 0.188 88 N C 1.729 177.221 175.510 -0.031 0.000 1.019 88 N CA 0.618 53.661 53.050 -0.012 0.000 0.857 88 N CB -0.690 37.810 38.487 0.022 0.000 0.997 88 N HN 0.237 nan 8.380 nan 0.000 0.426 89 L N 0.739 121.897 121.223 -0.108 0.000 1.970 89 L HA -0.117 4.225 4.340 0.004 0.000 0.212 89 L C 2.014 178.779 176.870 -0.176 0.000 1.071 89 L CA 1.490 56.157 54.840 -0.289 0.000 0.751 89 L CB -0.799 40.842 42.059 -0.696 0.000 0.889 89 L HN -0.071 nan 8.230 nan 0.000 0.432 90 V N 0.149 119.965 119.914 -0.164 0.000 2.287 90 V HA -0.318 3.804 4.120 0.004 0.000 0.248 90 V C 2.777 178.827 176.094 -0.073 0.000 1.053 90 V CA 2.327 64.557 62.300 -0.116 0.000 1.027 90 V CB -0.699 31.062 31.823 -0.103 0.000 0.646 90 V HN 0.482 nan 8.190 nan 0.000 0.447 91 R N 0.767 121.229 120.500 -0.062 0.000 2.070 91 R HA -0.153 4.189 4.340 0.004 0.000 0.233 91 R C 2.580 178.857 176.300 -0.039 0.000 1.137 91 R CA 1.896 57.962 56.100 -0.058 0.000 0.945 91 R CB -0.700 29.574 30.300 -0.044 0.000 0.845 91 R HN 0.686 nan 8.270 nan 0.000 0.430 92 S N -0.145 115.556 115.700 0.002 0.000 2.447 92 S HA -0.110 4.362 4.470 0.004 0.000 0.233 92 S C 1.337 175.882 174.600 -0.092 0.000 1.006 92 S CA 1.063 59.254 58.200 -0.016 0.000 0.957 92 S CB -0.195 63.019 63.200 0.022 0.000 0.773 92 S HN 0.400 nan 8.310 nan 0.000 0.507 93 H N 0.835 119.845 119.070 -0.100 0.000 2.575 93 H HA 0.430 4.989 4.556 0.003 0.000 0.267 93 H C 0.325 175.613 175.328 -0.066 0.000 0.966 93 H CA 0.115 56.115 56.048 -0.081 0.000 1.165 93 H CB 0.186 29.882 29.762 -0.110 0.000 1.433 93 H HN 0.281 nan 8.280 nan 0.000 0.544 94 S N 1.163 116.831 115.700 -0.054 0.000 3.900 94 S HA 0.334 4.807 4.470 0.004 0.000 0.248 94 S C 0.723 175.297 174.600 -0.043 0.000 1.310 94 S CA 0.160 58.210 58.200 -0.250 0.000 0.915 94 S CB -0.307 62.589 63.200 -0.506 0.000 1.588 94 S HN 0.483 nan 8.310 nan 0.000 0.472 95 A N 2.106 125.008 122.820 0.136 0.000 2.643 95 A HA 0.574 4.896 4.320 0.004 0.000 0.295 95 A C 0.889 178.575 177.584 0.170 0.000 1.065 95 A CA -0.435 51.679 52.037 0.128 0.000 0.986 95 A CB 0.044 19.051 19.000 0.012 0.000 1.212 95 A HN 0.639 nan 8.150 nan 0.000 0.516 96 G N 0.053 109.051 108.800 0.330 0.000 2.483 96 G HA2 0.501 4.463 3.960 0.004 0.000 0.248 96 G HA3 0.501 4.463 3.960 0.004 0.000 0.248 96 G C 0.152 175.030 174.900 -0.037 0.000 1.248 96 G CA 0.563 45.691 45.100 0.047 0.000 0.838 96 G HN 1.201 nan 8.290 nan 0.000 0.566 97 V N -0.540 119.333 119.914 -0.069 0.000 3.156 97 V HA 1.029 5.152 4.120 0.004 0.000 0.311 97 V C 0.844 176.869 176.094 -0.116 0.000 1.208 97 V CA 0.045 62.299 62.300 -0.078 0.000 1.063 97 V CB 0.974 32.770 31.823 -0.045 0.000 1.098 97 V HN 2.487 nan 8.190 nan 0.000 0.452 98 G N 0.787 109.523 108.800 -0.107 0.000 2.681 98 G HA2 -0.036 3.927 3.960 0.004 0.000 0.220 98 G HA3 -0.036 3.927 3.960 0.004 0.000 0.220 98 G C -2.773 172.033 174.900 -0.157 0.000 1.353 98 G CA -0.220 44.806 45.100 -0.124 0.000 0.872 98 G HN 1.027 nan 8.290 nan 0.000 0.557 99 P HA 0.495 nan 4.420 nan 0.000 0.271 99 P C 0.197 177.346 177.300 -0.252 0.000 1.233 99 P CA -0.394 62.597 63.100 -0.182 0.000 0.789 99 P CB 0.339 31.937 31.700 -0.169 0.000 0.951 100 L N 0.992 122.097 121.223 -0.196 0.000 2.357 100 L HA 0.379 4.721 4.340 0.004 0.000 0.273 100 L C 0.504 177.280 176.870 -0.158 0.000 1.080 100 L CA -0.711 54.025 54.840 -0.173 0.000 0.803 100 L CB 0.215 42.224 42.059 -0.082 0.000 1.174 100 L HN 0.280 nan 8.230 nan 0.000 0.443 101 F N 0.990 120.916 119.950 -0.039 0.000 2.496 101 F HA 0.246 4.775 4.527 0.003 0.000 0.344 101 F C 1.065 176.857 175.800 -0.014 0.000 1.155 101 F CA -0.095 57.892 58.000 -0.022 0.000 1.302 101 F CB 0.721 39.712 39.000 -0.014 0.000 1.159 101 F HN 0.531 nan 8.300 nan 0.000 0.595 102 A N 2.086 125.042 122.820 0.226 0.000 2.386 102 A HA 0.088 4.410 4.320 0.004 0.000 0.246 102 A C 1.500 179.147 177.584 0.104 0.000 1.089 102 A CA -0.136 51.971 52.037 0.118 0.000 0.790 102 A CB 0.126 19.181 19.000 0.092 0.000 1.042 102 A HN 0.951 nan 8.150 nan 0.000 0.497 103 E N -0.006 120.231 120.200 0.062 0.000 2.085 103 E HA -0.279 4.073 4.350 0.004 0.000 0.194 103 E C 1.194 177.814 176.600 0.034 0.000 0.994 103 E CA 1.864 58.291 56.400 0.045 0.000 0.801 103 E CB -0.124 29.593 29.700 0.028 0.000 0.743 103 E HN 0.812 nan 8.360 nan 0.000 0.453 104 D N 0.302 120.720 120.400 0.030 0.000 2.144 104 D HA -0.207 4.435 4.640 0.004 0.000 0.200 104 D C 1.538 177.838 176.300 -0.000 0.000 0.978 104 D CA 1.252 55.261 54.000 0.016 0.000 0.833 104 D CB -0.575 40.236 40.800 0.017 0.000 0.961 104 D HN 0.406 nan 8.370 nan 0.000 0.470 105 E N 0.816 121.022 120.200 0.011 0.000 2.047 105 E HA -0.060 4.292 4.350 0.004 0.000 0.191 105 E C 2.311 178.827 176.600 -0.139 0.000 0.987 105 E CA 1.173 57.537 56.400 -0.060 0.000 0.799 105 E CB -0.205 29.509 29.700 0.022 0.000 0.752 105 E HN 0.385 nan 8.360 nan 0.000 0.449 106 A N 1.614 124.407 122.820 -0.046 0.000 1.908 106 A HA -0.214 4.108 4.320 0.004 0.000 0.218 106 A C 2.090 179.654 177.584 -0.033 0.000 1.181 106 A CA 1.430 53.445 52.037 -0.036 0.000 0.627 106 A CB -0.424 18.610 19.000 0.055 0.000 0.818 106 A HN 0.072 nan 8.150 nan 0.000 0.445 107 R N -0.650 119.842 120.500 -0.013 0.000 2.081 107 R HA -0.068 4.274 4.340 0.004 0.000 0.235 107 R C 2.487 178.773 176.300 -0.023 0.000 1.131 107 R CA 1.165 57.263 56.100 -0.003 0.000 0.960 107 R CB -0.459 29.845 30.300 0.006 0.000 0.856 107 R HN 0.520 nan 8.270 nan 0.000 0.436 108 A N 1.196 123.987 122.820 -0.047 0.000 1.902 108 A HA -0.150 4.172 4.320 0.004 0.000 0.217 108 A C 2.128 179.669 177.584 -0.071 0.000 1.181 108 A CA 1.249 53.253 52.037 -0.055 0.000 0.623 108 A CB -0.471 18.488 19.000 -0.068 0.000 0.818 108 A HN 0.188 nan 8.150 nan 0.000 0.443 109 I N -0.566 119.938 120.570 -0.110 0.000 2.202 109 I HA -0.200 3.972 4.170 0.004 0.000 0.242 109 I C 2.319 178.403 176.117 -0.055 0.000 1.091 109 I CA 1.096 62.328 61.300 -0.113 0.000 1.368 109 I CB -0.344 37.548 38.000 -0.179 0.000 1.058 109 I HN 0.147 nan 8.210 nan 0.000 0.410 110 V N 1.088 120.983 119.914 -0.031 0.000 2.343 110 V HA -0.277 3.845 4.120 0.004 0.000 0.247 110 V C 2.715 178.802 176.094 -0.011 0.000 1.051 110 V CA 1.946 64.243 62.300 -0.005 0.000 1.036 110 V CB -0.964 30.877 31.823 0.030 0.000 0.654 110 V HN 0.489 nan 8.190 nan 0.000 0.451 111 A N -0.025 122.787 122.820 -0.013 0.000 1.933 111 A HA -0.096 4.226 4.320 0.004 0.000 0.218 111 A C 2.417 179.991 177.584 -0.017 0.000 1.175 111 A CA 2.004 54.034 52.037 -0.012 0.000 0.628 111 A CB -0.697 18.297 19.000 -0.010 0.000 0.814 111 A HN 0.561 nan 8.150 nan 0.000 0.444 112 A N -0.489 122.317 122.820 -0.024 0.000 1.898 112 A HA -0.113 4.209 4.320 0.004 0.000 0.216 112 A C 2.193 179.766 177.584 -0.018 0.000 1.181 112 A CA 1.985 54.008 52.037 -0.023 0.000 0.620 112 A CB -0.395 18.586 19.000 -0.032 0.000 0.819 112 A HN 0.420 nan 8.150 nan 0.000 0.442 113 R N -0.537 119.951 120.500 -0.021 0.000 2.075 113 R HA -0.056 4.286 4.340 0.004 0.000 0.232 113 R C 1.940 178.226 176.300 -0.023 0.000 1.126 113 R CA 1.496 57.584 56.100 -0.019 0.000 0.963 113 R CB -0.858 29.430 30.300 -0.020 0.000 0.858 113 R HN 0.456 nan 8.270 nan 0.000 0.435 114 L N 0.746 121.954 121.223 -0.025 0.000 2.042 114 L HA -0.120 4.222 4.340 0.004 0.000 0.210 114 L C 1.686 178.541 176.870 -0.025 0.000 1.076 114 L CA 2.113 56.935 54.840 -0.030 0.000 0.749 114 L CB -0.911 41.132 42.059 -0.027 0.000 0.893 114 L HN 0.248 nan 8.230 nan 0.000 0.432 115 N N -1.441 117.248 118.700 -0.018 0.000 2.188 115 N HA -0.167 4.575 4.740 0.004 0.000 0.184 115 N C 1.664 177.168 175.510 -0.010 0.000 1.018 115 N CA 1.754 54.797 53.050 -0.013 0.000 0.858 115 N CB -0.163 38.319 38.487 -0.008 0.000 0.989 115 N HN 0.428 nan 8.380 nan 0.000 0.426 116 T N 0.607 115.156 114.554 -0.008 0.000 2.708 116 T HA -0.073 4.279 4.350 0.004 0.000 0.266 116 T C 1.799 176.494 174.700 -0.008 0.000 1.037 116 T CA 1.114 63.215 62.100 0.000 0.000 1.146 116 T CB -0.295 68.575 68.868 0.004 0.000 0.865 116 T HN 0.186 nan 8.240 nan 0.000 0.435 117 L N 0.773 121.981 121.223 -0.025 0.000 2.201 117 L HA 0.038 4.381 4.340 0.004 0.000 0.212 117 L C 2.876 179.714 176.870 -0.054 0.000 1.105 117 L CA 0.825 55.639 54.840 -0.043 0.000 0.775 117 L CB -0.614 41.414 42.059 -0.052 0.000 0.913 117 L HN 0.214 nan 8.230 nan 0.000 0.440 118 A N -0.220 122.575 122.820 -0.043 0.000 2.216 118 A HA -0.176 4.146 4.320 0.004 0.000 0.214 118 A C 2.329 179.881 177.584 -0.054 0.000 1.160 118 A CA 1.107 53.116 52.037 -0.047 0.000 0.725 118 A CB -0.365 18.615 19.000 -0.033 0.000 0.784 118 A HN 0.305 nan 8.150 nan 0.000 0.472 119 K N -1.255 119.117 120.400 -0.045 0.000 2.288 119 K HA 0.067 4.389 4.320 0.004 0.000 0.201 119 K C 1.259 177.751 176.600 -0.181 0.000 1.048 119 K CA 0.902 57.160 56.287 -0.047 0.000 0.956 119 K CB -0.192 32.335 32.500 0.045 0.000 0.746 119 K HN 0.651 nan 8.250 nan 0.000 0.461 120 G N 0.098 108.785 108.800 -0.189 0.000 2.176 120 G HA2 -0.251 3.711 3.960 0.004 0.000 0.232 120 G HA3 -0.251 3.711 3.960 0.004 0.000 0.232 120 G C 0.261 174.951 174.900 -0.350 0.000 0.986 120 G CA 0.560 45.494 45.100 -0.276 0.000 0.643 120 G HN 0.548 nan 8.290 nan 0.000 0.522 121 H N 0.266 119.265 119.070 -0.118 0.000 2.551 121 H HA 0.407 4.965 4.556 0.004 0.000 0.271 121 H C 2.234 177.450 175.328 -0.186 0.000 0.984 121 H CA 0.867 56.794 56.048 -0.201 0.000 1.164 121 H CB 0.688 30.208 29.762 -0.404 0.000 1.437 121 H HN 0.359 nan 8.280 nan 0.000 0.550 122 S N 0.312 115.960 115.700 -0.087 0.000 2.528 122 S HA 0.206 4.678 4.470 0.004 0.000 0.219 122 S C 1.483 175.921 174.600 -0.269 0.000 0.985 122 S CA 0.470 58.590 58.200 -0.134 0.000 0.914 122 S CB 0.282 63.427 63.200 -0.093 0.000 0.776 122 S HN 0.613 nan 8.310 nan 0.000 0.526 123 A N 0.803 123.447 122.820 -0.294 0.000 2.822 123 A HA -0.137 4.185 4.320 0.004 0.000 0.287 123 A C 0.317 177.729 177.584 -0.288 0.000 1.479 123 A CA 0.354 52.140 52.037 -0.417 0.000 0.779 123 A CB -2.333 16.142 19.000 -0.875 0.000 1.022 123 A HN 0.292 nan 8.150 nan 0.000 0.532 124 V N -0.037 119.769 119.914 -0.180 0.000 2.716 124 V HA 0.423 4.545 4.120 0.004 0.000 0.304 124 V C 1.233 177.283 176.094 -0.073 0.000 1.053 124 V CA -0.687 61.551 62.300 -0.104 0.000 0.984 124 V CB 1.525 33.292 31.823 -0.093 0.000 1.021 124 V HN 0.632 nan 8.190 nan 0.000 0.467 125 R N 3.710 124.185 120.500 -0.041 0.000 2.590 125 R HA 0.155 4.497 4.340 0.004 0.000 0.274 125 R C -1.716 174.555 176.300 -0.050 0.000 1.061 125 R CA -1.047 55.032 56.100 -0.035 0.000 1.081 125 R CB 0.147 30.435 30.300 -0.020 0.000 0.984 125 R HN 0.461 nan 8.270 nan 0.000 0.448 126 P HA -0.216 nan 4.420 nan 0.000 0.217 126 P C 1.045 178.315 177.300 -0.050 0.000 1.148 126 P CA 1.129 64.200 63.100 -0.049 0.000 0.828 126 P CB 0.065 31.740 31.700 -0.041 0.000 0.783 127 I N -1.198 119.344 120.570 -0.047 0.000 2.423 127 I HA -0.220 3.952 4.170 0.004 0.000 0.254 127 I C 1.595 177.667 176.117 -0.074 0.000 1.151 127 I CA 1.258 62.526 61.300 -0.053 0.000 1.421 127 I CB -0.130 37.842 38.000 -0.046 0.000 1.079 127 I HN -0.151 nan 8.210 nan 0.000 0.431 128 I N 0.351 120.875 120.570 -0.076 0.000 2.202 128 I HA -0.265 3.907 4.170 0.004 0.000 0.242 128 I C 2.429 178.485 176.117 -0.102 0.000 1.091 128 I CA 1.408 62.650 61.300 -0.096 0.000 1.368 128 I CB -1.203 36.747 38.000 -0.083 0.000 1.058 128 I HN 0.265 nan 8.210 nan 0.000 0.410 129 L N 0.671 121.846 121.223 -0.080 0.000 2.017 129 L HA -0.183 4.159 4.340 0.004 0.000 0.208 129 L C 2.479 179.307 176.870 -0.069 0.000 1.073 129 L CA 1.667 56.465 54.840 -0.070 0.000 0.745 129 L CB -0.987 41.038 42.059 -0.058 0.000 0.894 129 L HN 0.256 nan 8.230 nan 0.000 0.432 130 E N -0.938 119.224 120.200 -0.064 0.000 2.077 130 E HA -0.260 4.092 4.350 0.004 0.000 0.193 130 E C 2.324 178.883 176.600 -0.068 0.000 0.989 130 E CA 0.961 57.330 56.400 -0.052 0.000 0.800 130 E CB -0.112 29.564 29.700 -0.041 0.000 0.746 130 E HN 0.164 nan 8.360 nan 0.000 0.452 131 R N 1.070 121.500 120.500 -0.117 0.000 2.092 131 R HA -0.052 4.290 4.340 0.004 0.000 0.231 131 R C 2.030 178.148 176.300 -0.302 0.000 1.119 131 R CA 1.025 57.005 56.100 -0.200 0.000 0.970 131 R CB -0.467 29.671 30.300 -0.271 0.000 0.864 131 R HN 0.167 nan 8.270 nan 0.000 0.440 132 L N -0.475 120.606 121.223 -0.237 0.000 2.027 132 L HA -0.067 4.275 4.340 0.004 0.000 0.206 132 L C 2.376 179.218 176.870 -0.047 0.000 1.074 132 L CA 1.431 56.163 54.840 -0.180 0.000 0.745 132 L CB -0.590 41.399 42.059 -0.116 0.000 0.898 132 L HN 0.291 nan 8.230 nan 0.000 0.433 133 A N -0.766 122.033 122.820 -0.035 0.000 1.972 133 A HA -0.274 4.048 4.320 0.004 0.000 0.219 133 A C 2.236 179.844 177.584 0.040 0.000 1.169 133 A CA 1.778 53.817 52.037 0.004 0.000 0.635 133 A CB -0.509 18.486 19.000 -0.008 0.000 0.810 133 A HN 0.515 nan 8.150 nan 0.000 0.446 134 Q N -1.788 118.041 119.800 0.048 0.000 2.046 134 Q HA -0.199 4.143 4.340 0.004 0.000 0.200 134 Q C 1.805 177.933 176.000 0.214 0.000 0.975 134 Q CA 1.589 57.456 55.803 0.107 0.000 0.836 134 Q CB -0.281 28.521 28.738 0.107 0.000 0.896 134 Q HN 0.665 nan 8.270 nan 0.000 0.428 135 Y N 0.786 121.083 120.300 -0.005 0.000 2.165 135 Y HA -0.236 4.316 4.550 0.003 0.000 0.286 135 Y C 2.089 177.989 175.900 -0.001 0.000 1.155 135 Y CA 0.986 59.085 58.100 -0.002 0.000 1.164 135 Y CB -0.530 37.929 38.460 -0.001 0.000 0.978 135 Y HN 0.164 nan 8.280 nan 0.000 0.513 136 L N -0.460 120.862 121.223 0.165 0.000 2.005 136 L HA -0.255 4.087 4.340 0.004 0.000 0.207 136 L C 1.931 178.834 176.870 0.055 0.000 1.072 136 L CA 1.746 56.637 54.840 0.084 0.000 0.744 136 L CB -0.627 41.465 42.059 0.056 0.000 0.895 136 L HN 0.242 nan 8.230 nan 0.000 0.433 137 N N -0.607 118.125 118.700 0.054 0.000 2.309 137 N HA -0.165 4.577 4.740 0.004 0.000 0.182 137 N C 1.238 176.765 175.510 0.029 0.000 1.018 137 N CA 0.732 53.804 53.050 0.036 0.000 0.876 137 N CB 0.119 38.625 38.487 0.032 0.000 0.972 137 N HN 0.371 nan 8.380 nan 0.000 0.434 138 E N -0.359 119.863 120.200 0.037 0.000 2.474 138 E HA 0.102 4.454 4.350 0.004 0.000 0.195 138 E C 0.560 177.153 176.600 -0.011 0.000 1.039 138 E CA -0.156 56.252 56.400 0.013 0.000 0.881 138 E CB 0.560 30.270 29.700 0.017 0.000 0.970 138 E HN 0.377 nan 8.360 nan 0.000 0.486 139 G N 2.051 110.848 108.800 -0.005 0.000 2.160 139 G HA2 -0.279 3.683 3.960 0.004 0.000 0.244 139 G HA3 -0.279 3.683 3.960 0.004 0.000 0.244 139 G C 0.151 175.018 174.900 -0.055 0.000 1.022 139 G CA -0.082 45.007 45.100 -0.019 0.000 0.741 139 G HN 0.247 nan 8.290 nan 0.000 0.508 140 I N 2.245 122.753 120.570 -0.103 0.000 2.281 140 I HA 0.247 4.419 4.170 0.004 0.000 0.293 140 I C 0.358 176.392 176.117 -0.138 0.000 1.085 140 I CA -0.180 60.985 61.300 -0.225 0.000 1.257 140 I CB 0.873 38.525 38.000 -0.580 0.000 1.430 140 I HN 0.013 nan 8.210 nan 0.000 0.489 141 T N 7.333 121.849 114.554 -0.063 0.000 2.733 141 T HA 0.301 4.654 4.350 0.004 0.000 0.294 141 T C -2.345 172.373 174.700 0.031 0.000 0.956 141 T CA -1.449 60.654 62.100 0.005 0.000 0.987 141 T CB 0.997 69.876 68.868 0.018 0.000 0.920 141 T HN 0.211 nan 8.240 nan 0.000 0.470 142 P HA 0.262 nan 4.420 nan 0.000 0.269 142 P C -0.911 176.461 177.300 0.120 0.000 1.209 142 P CA -0.411 62.759 63.100 0.116 0.000 0.776 142 P CB 0.417 32.209 31.700 0.153 0.000 0.876 143 A N 4.028 126.936 122.820 0.147 0.000 2.316 143 A HA 0.432 4.754 4.320 0.004 0.000 0.311 143 A C -0.125 177.526 177.584 0.113 0.000 1.339 143 A CA -0.346 51.764 52.037 0.122 0.000 0.960 143 A CB -0.782 18.301 19.000 0.137 0.000 1.152 143 A HN 0.450 nan 8.150 nan 0.000 0.547 144 I N 5.410 126.043 120.570 0.104 0.000 2.354 144 I HA 0.307 4.479 4.170 0.004 0.000 0.286 144 I C -2.211 173.903 176.117 -0.005 0.000 1.007 144 I CA -2.278 59.078 61.300 0.093 0.000 1.167 144 I CB 2.214 40.381 38.000 0.279 0.000 1.320 144 I HN 0.435 nan 8.210 nan 0.000 0.458 145 P HA 0.139 nan 4.420 nan 0.000 0.275 145 P C -0.018 177.120 177.300 -0.270 0.000 1.227 145 P CA -0.140 62.791 63.100 -0.282 0.000 0.781 145 P CB 1.174 32.677 31.700 -0.329 0.000 0.906 146 E N 1.213 121.109 120.200 -0.507 0.000 2.274 146 E HA -0.021 4.331 4.350 0.004 0.000 0.194 146 E C 0.537 177.019 176.600 -0.196 0.000 0.996 146 E CA 0.718 56.731 56.400 -0.646 0.000 0.840 146 E CB -0.013 29.167 29.700 -0.867 0.000 0.772 146 E HN 0.491 nan 8.360 nan 0.000 0.491 147 I N -0.663 119.820 120.570 -0.144 0.000 2.460 147 I HA 0.329 4.501 4.170 0.004 0.000 0.298 147 I C 0.929 177.033 176.117 -0.021 0.000 0.989 147 I CA -0.108 61.155 61.300 -0.061 0.000 1.173 147 I CB 2.002 39.961 38.000 -0.068 0.000 1.338 147 I HN 0.094 nan 8.210 nan 0.000 0.456 148 G N 3.144 111.949 108.800 0.008 0.000 2.901 148 G HA2 -0.196 3.767 3.960 0.004 0.000 0.194 148 G HA3 -0.196 3.767 3.960 0.004 0.000 0.194 148 G C 0.289 175.212 174.900 0.037 0.000 1.020 148 G CA 0.013 45.128 45.100 0.025 0.000 0.787 148 G HN 0.612 nan 8.290 nan 0.000 0.477 149 S N 0.540 116.269 115.700 0.047 0.000 2.548 149 S HA 0.571 5.043 4.470 0.004 0.000 0.277 149 S C 1.285 175.898 174.600 0.022 0.000 1.315 149 S CA -0.335 57.891 58.200 0.043 0.000 1.050 149 S CB 0.732 63.967 63.200 0.058 0.000 0.918 149 S HN 0.373 nan 8.310 nan 0.000 0.497 150 L N 4.417 125.644 121.223 0.007 0.000 2.640 150 L HA 0.339 4.681 4.340 0.004 0.000 0.230 150 L C 1.427 178.273 176.870 -0.041 0.000 1.123 150 L CA 0.156 54.991 54.840 -0.009 0.000 0.900 150 L CB -0.957 41.097 42.059 -0.009 0.000 1.146 150 L HN 1.067 nan 8.230 nan 0.000 0.484 156 L N 0.611 121.846 121.223 0.020 0.000 1.963 156 L HA -0.240 4.102 4.340 0.004 0.000 0.220 156 L C 2.675 179.595 176.870 0.082 0.000 1.076 156 L CA 2.326 57.182 54.840 0.028 0.000 0.772 156 L CB -0.434 41.656 42.059 0.051 0.000 0.892 156 L HN 0.227 nan 8.230 nan 0.000 0.435 157 A N 0.048 122.938 122.820 0.116 0.000 1.865 157 A HA -0.139 4.183 4.320 0.004 0.000 0.217 157 A C 0.041 177.772 177.584 0.246 0.000 1.191 157 A CA 1.953 54.094 52.037 0.174 0.000 0.623 157 A CB -1.901 17.186 19.000 0.144 0.000 0.826 157 A HN 0.304 nan 8.150 nan 0.000 0.444 158 P HA -0.144 nan 4.420 nan 0.000 0.215 158 P C 1.436 178.839 177.300 0.173 0.000 1.157 158 P CA 0.986 64.197 63.100 0.185 0.000 0.868 158 P CB -0.165 31.635 31.700 0.166 0.000 0.788 159 L N -1.347 119.942 121.223 0.109 0.000 2.141 159 L HA -0.101 4.241 4.340 0.004 0.000 0.209 159 L C 2.315 179.223 176.870 0.063 0.000 1.094 159 L CA 1.257 56.138 54.840 0.067 0.000 0.763 159 L CB -0.933 41.140 42.059 0.024 0.000 0.908 159 L HN -0.010 nan 8.230 nan 0.000 0.437 160 S N -1.169 114.573 115.700 0.071 0.000 2.382 160 S HA -0.188 4.284 4.470 0.004 0.000 0.228 160 S C 1.810 176.407 174.600 -0.005 0.000 1.027 160 S CA 1.077 59.282 58.200 0.010 0.000 0.991 160 S CB -0.290 62.913 63.200 0.006 0.000 0.823 160 S HN 0.489 nan 8.310 nan 0.000 0.469 161 H N 0.280 119.384 119.070 0.056 0.000 2.423 161 H HA 0.046 4.604 4.556 0.004 0.000 0.297 161 H C 2.030 177.405 175.328 0.078 0.000 1.075 161 H CA 1.287 57.382 56.048 0.078 0.000 1.342 161 H CB -0.189 29.633 29.762 0.100 0.000 1.395 161 H HN 0.133 nan 8.280 nan 0.000 0.530 162 V N 0.377 120.395 119.914 0.173 0.000 2.270 162 V HA -0.251 3.872 4.120 0.004 0.000 0.245 162 V C 2.570 178.710 176.094 0.076 0.000 1.043 162 V CA 1.676 64.051 62.300 0.124 0.000 1.014 162 V CB -1.004 30.870 31.823 0.084 0.000 0.645 162 V HN 0.578 nan 8.190 nan 0.000 0.447 163 A N -0.440 122.397 122.820 0.028 0.000 1.940 163 A HA -0.245 4.077 4.320 0.004 0.000 0.219 163 A C 2.473 180.050 177.584 -0.011 0.000 1.176 163 A CA 2.323 54.352 52.037 -0.014 0.000 0.631 163 A CB -0.762 18.213 19.000 -0.043 0.000 0.814 163 A HN 0.510 nan 8.150 nan 0.000 0.446 164 S N -0.332 115.362 115.700 -0.009 0.000 2.359 164 S HA -0.194 4.279 4.470 0.004 0.000 0.224 164 S C 2.254 176.866 174.600 0.020 0.000 1.035 164 S CA 2.111 60.297 58.200 -0.022 0.000 1.018 164 S CB -0.762 62.406 63.200 -0.053 0.000 0.876 164 S HN 0.933 nan 8.310 nan 0.000 0.448 165 T N 0.798 115.402 114.554 0.083 0.000 2.881 165 T HA 0.047 4.399 4.350 0.004 0.000 0.270 165 T C 1.634 176.469 174.700 0.225 0.000 1.068 165 T CA 0.815 63.010 62.100 0.159 0.000 1.131 165 T CB -0.545 68.471 68.868 0.247 0.000 0.871 165 T HN 0.289 nan 8.240 nan 0.000 0.479 166 L N 0.785 122.068 121.223 0.099 0.000 2.217 166 L HA 0.245 4.588 4.340 0.004 0.000 0.211 166 L C 2.196 179.064 176.870 -0.003 0.000 1.107 166 L CA 0.999 55.822 54.840 -0.029 0.000 0.783 166 L CB -0.355 41.621 42.059 -0.139 0.000 0.919 166 L HN 0.498 nan 8.230 nan 0.000 0.442 167 I N -3.691 116.879 120.570 0.001 0.000 3.889 167 I HA 0.418 4.590 4.170 0.004 0.000 0.332 167 I C 1.029 177.143 176.117 -0.006 0.000 1.493 167 I CA 0.168 61.459 61.300 -0.014 0.000 1.158 167 I CB -0.171 37.808 38.000 -0.034 0.000 1.117 167 I HN 0.145 nan 8.210 nan 0.000 0.411 168 G N 1.202 110.015 108.800 0.022 0.000 2.179 168 G HA2 -0.251 3.711 3.960 0.004 0.000 0.257 168 G HA3 -0.251 3.711 3.960 0.004 0.000 0.257 168 G C -0.148 174.726 174.900 -0.044 0.000 1.010 168 G CA 0.545 45.645 45.100 0.001 0.000 0.736 168 G HN 0.691 nan 8.290 nan 0.000 0.513 169 E N -1.194 118.976 120.200 -0.051 0.000 2.412 169 E HA 0.674 5.026 4.350 0.004 0.000 0.255 169 E C 1.031 177.557 176.600 -0.123 0.000 0.933 169 E CA -0.667 55.672 56.400 -0.102 0.000 0.823 169 E CB 1.270 30.919 29.700 -0.085 0.000 1.352 169 E HN 1.330 nan 8.360 nan 0.000 0.406 170 G N -0.357 108.331 108.800 -0.187 0.000 2.569 170 G HA2 -0.276 3.686 3.960 0.004 0.000 0.259 170 G HA3 -0.276 3.686 3.960 0.004 0.000 0.259 170 G C -1.156 173.541 174.900 -0.339 0.000 1.263 170 G CA 0.114 45.142 45.100 -0.120 0.000 0.928 170 G HN 0.378 nan 8.290 nan 0.000 0.572 171 Y N -2.000 118.349 120.300 0.083 0.000 2.576 171 Y HA 0.644 5.196 4.550 0.004 0.000 0.346 171 Y C 0.463 176.393 175.900 0.050 0.000 1.018 171 Y CA -0.918 57.217 58.100 0.057 0.000 1.050 171 Y CB 2.158 40.652 38.460 0.057 0.000 1.280 171 Y HN 0.502 nan 8.280 nan 0.000 0.474 172 V N 2.565 122.585 119.914 0.176 0.000 2.667 172 V HA 0.370 4.492 4.120 0.004 0.000 0.308 172 V C -0.857 175.287 176.094 0.083 0.000 1.048 172 V CA -0.946 61.403 62.300 0.082 0.000 0.928 172 V CB 2.085 33.903 31.823 -0.009 0.000 1.004 172 V HN 0.542 nan 8.190 nan 0.000 0.444 173 L N 5.345 126.600 121.223 0.053 0.000 2.278 173 L HA 0.485 4.827 4.340 0.004 0.000 0.287 173 L C 0.080 176.961 176.870 0.019 0.000 1.072 173 L CA 0.557 55.421 54.840 0.040 0.000 0.819 173 L CB 0.144 42.229 42.059 0.042 0.000 1.176 173 L HN 0.563 nan 8.230 nan 0.000 0.435 174 R N 4.434 124.944 120.500 0.017 0.000 2.483 174 R HA 0.272 4.614 4.340 0.004 0.000 0.303 174 R C -0.831 175.472 176.300 0.005 0.000 0.987 174 R CA -0.716 55.388 56.100 0.007 0.000 0.881 174 R CB 1.253 31.557 30.300 0.007 0.000 1.177 174 R HN 0.672 nan 8.270 nan 0.000 0.451 175 D N 2.309 122.710 120.400 0.002 0.000 2.701 175 D HA -0.207 4.435 4.640 0.004 0.000 0.235 175 D C 0.898 177.198 176.300 -0.001 0.000 1.155 175 D CA 1.812 55.812 54.000 0.000 0.000 0.649 175 D CB -0.657 40.143 40.800 -0.001 0.000 1.050 175 D HN 1.123 nan 8.370 nan 0.000 0.425 176 G N -0.437 108.364 108.800 0.002 0.000 2.212 176 G HA2 -0.378 3.584 3.960 0.004 0.000 0.266 176 G HA3 -0.378 3.584 3.960 0.004 0.000 0.266 176 G C 0.395 175.288 174.900 -0.011 0.000 0.978 176 G CA 0.696 45.794 45.100 -0.003 0.000 0.632 176 G HN 0.527 nan 8.290 nan 0.000 0.537 177 R N 0.977 121.473 120.500 -0.007 0.000 2.664 177 R HA 0.522 4.864 4.340 0.004 0.000 0.286 177 R C -2.645 173.654 176.300 -0.001 0.000 0.967 177 R CA -1.906 54.185 56.100 -0.015 0.000 0.933 177 R CB 2.133 32.426 30.300 -0.012 0.000 1.146 177 R HN 0.115 nan 8.270 nan 0.000 0.468 178 P HA 0.081 nan 4.420 nan 0.000 0.287 178 P C -0.672 176.706 177.300 0.130 0.000 1.281 178 P CA -0.295 62.815 63.100 0.017 0.000 0.781 178 P CB 1.279 32.867 31.700 -0.185 0.000 0.903 179 V N 0.369 120.416 119.914 0.220 0.000 2.680 179 V HA 0.465 4.587 4.120 0.004 0.000 0.309 179 V C 0.073 176.300 176.094 0.220 0.000 1.052 179 V CA -1.245 61.181 62.300 0.209 0.000 0.908 179 V CB 1.721 33.595 31.823 0.085 0.000 1.001 179 V HN 0.379 nan 8.190 nan 0.000 0.431 180 E N 2.152 122.418 120.200 0.109 0.000 2.529 180 E HA 0.033 4.385 4.350 0.004 0.000 0.259 180 E C 0.771 177.307 176.600 -0.106 0.000 0.966 180 E CA 0.580 56.886 56.400 -0.157 0.000 0.937 180 E CB 0.917 30.527 29.700 -0.150 0.000 0.923 180 E HN 0.842 nan 8.360 nan 0.000 0.468 181 T N 2.718 117.181 114.554 -0.152 0.000 2.833 181 T HA -0.199 4.153 4.350 0.004 0.000 0.269 181 T C 1.801 176.460 174.700 -0.069 0.000 1.054 181 T CA 1.191 63.241 62.100 -0.083 0.000 1.135 181 T CB -0.006 68.826 68.868 -0.060 0.000 0.869 181 T HN 0.612 nan 8.240 nan 0.000 0.466 182 A N 2.350 125.119 122.820 -0.085 0.000 1.873 182 A HA -0.264 4.058 4.320 0.004 0.000 0.218 182 A C 2.322 179.880 177.584 -0.043 0.000 1.193 182 A CA 2.109 54.111 52.037 -0.059 0.000 0.629 182 A CB -0.762 18.197 19.000 -0.068 0.000 0.826 182 A HN 0.752 nan 8.150 nan 0.000 0.447 183 Q N -0.865 118.910 119.800 -0.042 0.000 2.245 183 Q HA 0.012 4.354 4.340 0.004 0.000 0.201 183 Q C 1.675 177.657 176.000 -0.030 0.000 0.955 183 Q CA 1.410 57.196 55.803 -0.029 0.000 0.870 183 Q CB -0.471 28.255 28.738 -0.021 0.000 0.945 183 Q HN 0.321 nan 8.270 nan 0.000 0.461 184 V N 1.566 121.457 119.914 -0.039 0.000 2.358 184 V HA -0.224 3.898 4.120 0.004 0.000 0.246 184 V C 2.279 178.339 176.094 -0.056 0.000 1.047 184 V CA 1.424 63.695 62.300 -0.049 0.000 1.035 184 V CB -0.482 31.301 31.823 -0.066 0.000 0.658 184 V HN 0.359 nan 8.190 nan 0.000 0.452 185 L N -0.046 121.147 121.223 -0.050 0.000 2.093 185 L HA -0.091 4.251 4.340 0.004 0.000 0.208 185 L C 2.687 179.547 176.870 -0.017 0.000 1.085 185 L CA 1.391 56.213 54.840 -0.031 0.000 0.755 185 L CB -0.698 41.360 42.059 -0.002 0.000 0.904 185 L HN 0.362 nan 8.230 nan 0.000 0.435 186 A N -0.262 122.547 122.820 -0.019 0.000 1.897 186 A HA -0.225 4.098 4.320 0.004 0.000 0.215 186 A C 2.139 179.714 177.584 -0.015 0.000 1.181 186 A CA 1.325 53.354 52.037 -0.014 0.000 0.620 186 A CB -0.446 18.545 19.000 -0.015 0.000 0.821 186 A HN 0.411 nan 8.150 nan 0.000 0.443 187 E N 0.009 120.197 120.200 -0.020 0.000 2.510 187 E HA -0.160 4.192 4.350 0.004 0.000 0.202 187 E C 0.820 177.409 176.600 -0.020 0.000 1.072 187 E CA 0.953 57.341 56.400 -0.019 0.000 0.883 187 E CB -0.031 29.656 29.700 -0.022 0.000 0.818 187 E HN 0.719 nan 8.360 nan 0.000 0.548 188 R N -2.219 118.269 120.500 -0.020 0.000 2.522 188 R HA 0.216 4.558 4.340 0.004 0.000 0.418 188 R C 0.554 176.850 176.300 -0.006 0.000 0.973 188 R CA 0.200 56.291 56.100 -0.016 0.000 1.096 188 R CB -0.363 29.921 30.300 -0.026 0.000 1.449 188 R HN 0.071 nan 8.270 nan 0.000 0.622 189 G N 1.721 110.519 108.800 -0.004 0.000 2.321 189 G HA2 -0.278 3.684 3.960 0.004 0.000 0.287 189 G HA3 -0.278 3.684 3.960 0.004 0.000 0.287 189 G C 0.008 174.915 174.900 0.011 0.000 1.018 189 G CA 0.708 45.810 45.100 0.002 0.000 0.855 189 G HN 0.488 nan 8.290 nan 0.000 0.507 190 I N 0.120 120.700 120.570 0.017 0.000 2.378 190 I HA 0.287 4.459 4.170 0.004 0.000 0.291 190 I C 0.206 176.344 176.117 0.035 0.000 0.992 190 I CA -0.669 60.654 61.300 0.039 0.000 1.154 190 I CB 1.470 39.515 38.000 0.075 0.000 1.315 190 I HN 0.102 nan 8.210 nan 0.000 0.448 191 E N 7.996 128.214 120.200 0.029 0.000 2.167 191 E HA 0.258 4.610 4.350 0.004 0.000 0.284 191 E C -2.112 174.502 176.600 0.023 0.000 1.016 191 E CA -1.727 54.683 56.400 0.017 0.000 0.817 191 E CB 0.606 30.309 29.700 0.006 0.000 1.080 191 E HN 0.353 nan 8.360 nan 0.000 0.397 192 P HA -0.073 nan 4.420 nan 0.000 0.269 192 P C -0.431 176.867 177.300 -0.004 0.000 1.211 192 P CA 0.276 63.390 63.100 0.022 0.000 0.781 192 P CB 0.851 32.559 31.700 0.012 0.000 0.877 193 L N 0.173 121.385 121.223 -0.019 0.000 2.400 193 L HA 0.417 4.759 4.340 0.004 0.000 0.264 193 L C 0.925 177.770 176.870 -0.041 0.000 1.061 193 L CA -0.662 54.155 54.840 -0.038 0.000 0.799 193 L CB 0.596 42.619 42.059 -0.060 0.000 1.240 193 L HN 0.434 nan 8.230 nan 0.000 0.461 194 E N 1.292 121.464 120.200 -0.047 0.000 2.165 194 E HA 0.370 4.722 4.350 0.004 0.000 0.266 194 E C -1.286 175.277 176.600 -0.061 0.000 0.889 194 E CA -0.670 55.699 56.400 -0.053 0.000 0.756 194 E CB 1.377 31.045 29.700 -0.054 0.000 1.131 194 E HN 0.425 nan 8.360 nan 0.000 0.411 195 L N 4.930 126.115 121.223 -0.063 0.000 2.418 195 L HA 0.294 4.636 4.340 0.004 0.000 0.274 195 L C 0.839 177.661 176.870 -0.081 0.000 1.135 195 L CA 0.171 54.973 54.840 -0.063 0.000 0.870 195 L CB 0.378 42.403 42.059 -0.057 0.000 1.154 195 L HN 0.485 nan 8.230 nan 0.000 0.462 196 R N 1.928 122.386 120.500 -0.071 0.000 2.843 196 R HA 0.462 4.804 4.340 0.004 0.000 0.232 196 R C -0.649 175.637 176.300 -0.023 0.000 1.305 196 R CA -1.139 54.887 56.100 -0.124 0.000 1.096 196 R CB 0.619 30.861 30.300 -0.096 0.000 1.455 196 R HN 0.156 nan 8.270 nan 0.000 0.520 197 F N 2.440 122.428 119.950 0.063 0.000 2.480 197 F HA -0.255 4.274 4.527 0.003 0.000 0.409 197 F C 1.667 177.564 175.800 0.162 0.000 0.979 197 F CA 1.196 59.274 58.000 0.130 0.000 1.184 197 F CB -0.137 38.973 39.000 0.183 0.000 0.925 197 F HN 0.649 nan 8.300 nan 0.000 0.543 198 K N 0.817 121.424 120.400 0.346 0.000 3.577 198 K HA -0.351 3.971 4.320 0.004 0.000 0.300 198 K C 1.364 177.997 176.600 0.056 0.000 1.235 198 K CA 1.932 58.321 56.287 0.170 0.000 1.028 198 K CB -0.739 31.808 32.500 0.079 0.000 1.306 198 K HN 0.840 nan 8.250 nan 0.000 0.432 199 E N -0.821 119.410 120.200 0.052 0.000 2.077 199 E HA -0.132 4.220 4.350 0.004 0.000 0.193 199 E C 1.978 178.559 176.600 -0.031 0.000 0.989 199 E CA 1.171 57.566 56.400 -0.007 0.000 0.800 199 E CB -0.185 29.506 29.700 -0.014 0.000 0.746 199 E HN 0.592 nan 8.360 nan 0.000 0.452 200 G N 1.735 110.517 108.800 -0.030 0.000 2.421 200 G HA2 -0.249 3.713 3.960 0.004 0.000 0.216 200 G HA3 -0.249 3.713 3.960 0.004 0.000 0.216 200 G C 1.587 176.427 174.900 -0.099 0.000 1.171 200 G CA 0.563 45.619 45.100 -0.074 0.000 0.775 200 G HN 0.139 nan 8.290 nan 0.000 0.543 201 L N 1.451 122.633 121.223 -0.068 0.000 2.017 201 L HA 0.155 4.497 4.340 0.004 0.000 0.208 201 L C 3.046 179.893 176.870 -0.039 0.000 1.073 201 L CA 2.221 57.021 54.840 -0.067 0.000 0.745 201 L CB -0.781 41.310 42.059 0.052 0.000 0.894 201 L HN 0.231 nan 8.230 nan 0.000 0.432 202 A N -0.715 122.089 122.820 -0.027 0.000 1.972 202 A HA -0.166 4.156 4.320 0.004 0.000 0.219 202 A C 2.275 179.840 177.584 -0.031 0.000 1.169 202 A CA 1.924 53.945 52.037 -0.027 0.000 0.635 202 A CB -0.872 18.095 19.000 -0.054 0.000 0.810 202 A HN 0.523 nan 8.150 nan 0.000 0.446 203 L N -0.572 120.624 121.223 -0.046 0.000 2.156 203 L HA -0.061 4.282 4.340 0.004 0.000 0.208 203 L C 2.297 179.145 176.870 -0.038 0.000 1.095 203 L CA 1.420 56.232 54.840 -0.046 0.000 0.770 203 L CB -0.237 41.789 42.059 -0.056 0.000 0.914 203 L HN 0.710 nan 8.230 nan 0.000 0.439 204 I N -5.133 115.404 120.570 -0.054 0.000 4.181 204 I HA 0.160 4.332 4.170 0.004 0.000 0.331 204 I C 0.701 176.790 176.117 -0.046 0.000 1.312 204 I CA -0.054 61.215 61.300 -0.053 0.000 1.146 204 I CB 0.126 38.068 38.000 -0.096 0.000 1.074 204 I HN 0.001 nan 8.210 nan 0.000 0.402 205 N N 2.439 121.120 118.700 -0.031 0.000 3.034 205 N HA 0.529 5.271 4.740 0.004 0.000 0.265 205 N C -0.266 175.301 175.510 0.094 0.000 1.166 205 N CA 0.315 53.366 53.050 0.000 0.000 1.081 205 N CB 0.362 38.864 38.487 0.025 0.000 1.378 205 N HN 0.660 nan 8.380 nan 0.000 0.520 206 G N -0.883 107.969 108.800 0.087 0.000 2.489 206 G HA2 0.198 4.161 3.960 0.004 0.000 0.305 206 G HA3 0.198 4.161 3.960 0.004 0.000 0.305 206 G C -0.154 174.794 174.900 0.080 0.000 1.311 206 G CA -0.268 44.902 45.100 0.116 0.000 0.813 206 G HN 0.184 nan 8.290 nan 0.000 0.480 207 T N -2.120 112.468 114.554 0.058 0.000 3.214 207 T HA 0.292 4.644 4.350 0.004 0.000 0.264 207 T C 1.660 176.360 174.700 0.000 0.000 1.012 207 T CA 0.995 63.111 62.100 0.026 0.000 0.901 207 T CB 0.370 69.249 68.868 0.019 0.000 1.070 207 T HN 0.283 nan 8.240 nan 0.000 0.561 208 S N 1.182 116.880 115.700 -0.003 0.000 2.419 208 S HA 0.017 4.489 4.470 0.004 0.000 0.235 208 S C 2.251 176.817 174.600 -0.055 0.000 1.019 208 S CA 1.219 59.404 58.200 -0.025 0.000 0.982 208 S CB -0.675 62.513 63.200 -0.021 0.000 0.789 208 S HN 0.790 nan 8.310 nan 0.000 0.490 209 G N 2.612 111.382 108.800 -0.050 0.000 2.434 209 G HA2 -0.207 3.755 3.960 0.004 0.000 0.214 209 G HA3 -0.207 3.755 3.960 0.004 0.000 0.214 209 G C 1.461 176.301 174.900 -0.101 0.000 1.202 209 G CA 1.024 46.067 45.100 -0.096 0.000 0.788 209 G HN 0.632 nan 8.290 nan 0.000 0.539 210 M N -0.383 119.192 119.600 -0.042 0.000 2.229 210 M HA 0.097 4.579 4.480 0.004 0.000 0.264 210 M C 2.203 178.480 176.300 -0.038 0.000 1.063 210 M CA 2.008 57.291 55.300 -0.029 0.000 1.114 210 M CB -0.779 31.813 32.600 -0.013 0.000 1.387 210 M HN -0.010 nan 8.290 nan 0.000 0.420 211 T N 1.000 115.530 114.554 -0.040 0.000 2.896 211 T HA 0.079 4.431 4.350 0.004 0.000 0.263 211 T C 1.945 176.618 174.700 -0.044 0.000 1.050 211 T CA 1.372 63.451 62.100 -0.035 0.000 1.140 211 T CB -0.518 68.334 68.868 -0.027 0.000 0.877 211 T HN 0.698 nan 8.240 nan 0.000 0.457 212 G N 1.538 110.296 108.800 -0.069 0.000 2.414 212 G HA2 -0.115 3.847 3.960 0.004 0.000 0.215 212 G HA3 -0.115 3.847 3.960 0.004 0.000 0.215 212 G C 1.501 176.346 174.900 -0.092 0.000 1.188 212 G CA 0.595 45.645 45.100 -0.084 0.000 0.783 212 G HN 0.396 nan 8.290 nan 0.000 0.537 213 L N 1.608 122.753 121.223 -0.130 0.000 2.046 213 L HA 0.168 4.510 4.340 0.004 0.000 0.208 213 L C 2.799 179.650 176.870 -0.032 0.000 1.077 213 L CA 2.264 57.042 54.840 -0.104 0.000 0.747 213 L CB -0.936 41.049 42.059 -0.124 0.000 0.896 213 L HN 0.178 nan 8.230 nan 0.000 0.432 214 G N -1.662 107.124 108.800 -0.024 0.000 2.442 214 G HA2 -0.254 3.708 3.960 0.004 0.000 0.219 214 G HA3 -0.254 3.708 3.960 0.004 0.000 0.219 214 G C 1.591 176.496 174.900 0.007 0.000 1.141 214 G CA 0.909 46.009 45.100 -0.000 0.000 0.763 214 G HN 0.476 nan 8.290 nan 0.000 0.554 215 S N 0.437 116.134 115.700 -0.004 0.000 2.356 215 S HA -0.038 4.434 4.470 0.004 0.000 0.223 215 S C 2.319 176.927 174.600 0.014 0.000 1.032 215 S CA 0.964 59.167 58.200 0.006 0.000 1.005 215 S CB -0.274 62.924 63.200 -0.004 0.000 0.867 215 S HN 0.335 nan 8.310 nan 0.000 0.449 216 L N 0.975 122.200 121.223 0.004 0.000 2.017 216 L HA -0.102 4.241 4.340 0.004 0.000 0.208 216 L C 2.396 179.282 176.870 0.027 0.000 1.073 216 L CA 1.040 55.888 54.840 0.013 0.000 0.745 216 L CB -0.931 41.130 42.059 0.004 0.000 0.894 216 L HN 0.207 nan 8.230 nan 0.000 0.432 217 V N -0.490 119.442 119.914 0.030 0.000 2.261 217 V HA -0.248 3.875 4.120 0.004 0.000 0.246 217 V C 2.458 178.581 176.094 0.048 0.000 1.047 217 V CA 1.609 63.934 62.300 0.042 0.000 1.015 217 V CB -0.310 31.540 31.823 0.045 0.000 0.642 217 V HN 0.192 nan 8.190 nan 0.000 0.446 218 V N 0.863 120.807 119.914 0.049 0.000 2.343 218 V HA -0.172 3.950 4.120 0.004 0.000 0.247 218 V C 2.627 178.761 176.094 0.066 0.000 1.051 218 V CA 2.147 64.485 62.300 0.063 0.000 1.036 218 V CB -1.396 30.468 31.823 0.068 0.000 0.654 218 V HN 0.620 nan 8.190 nan 0.000 0.451 219 G N -0.154 108.679 108.800 0.056 0.000 2.418 219 G HA2 -0.236 3.726 3.960 0.004 0.000 0.217 219 G HA3 -0.236 3.726 3.960 0.004 0.000 0.217 219 G C 1.751 176.685 174.900 0.056 0.000 1.158 219 G CA 0.642 45.776 45.100 0.056 0.000 0.771 219 G HN 0.448 nan 8.290 nan 0.000 0.545 220 R N 0.391 120.921 120.500 0.050 0.000 2.148 220 R HA 0.165 4.507 4.340 0.004 0.000 0.223 220 R C 2.948 179.282 176.300 0.057 0.000 1.088 220 R CA 0.812 56.942 56.100 0.050 0.000 0.985 220 R CB -0.231 30.096 30.300 0.044 0.000 0.880 220 R HN 0.346 nan 8.270 nan 0.000 0.451 221 A N 1.253 124.108 122.820 0.058 0.000 1.930 221 A HA -0.104 4.218 4.320 0.004 0.000 0.217 221 A C 2.107 179.727 177.584 0.059 0.000 1.175 221 A CA 1.044 53.116 52.037 0.057 0.000 0.627 221 A CB -0.403 18.631 19.000 0.057 0.000 0.815 221 A HN 0.168 nan 8.150 nan 0.000 0.443 222 L N -0.811 120.454 121.223 0.070 0.000 2.093 222 L HA -0.177 4.165 4.340 0.004 0.000 0.208 222 L C 2.533 179.449 176.870 0.078 0.000 1.085 222 L CA 1.463 56.352 54.840 0.082 0.000 0.755 222 L CB -0.469 41.660 42.059 0.117 0.000 0.904 222 L HN 0.458 nan 8.230 nan 0.000 0.435 223 E N -0.498 119.747 120.200 0.074 0.000 2.150 223 E HA -0.266 4.086 4.350 0.004 0.000 0.193 223 E C 2.122 178.772 176.600 0.083 0.000 0.985 223 E CA 0.783 57.228 56.400 0.075 0.000 0.814 223 E CB 0.038 29.778 29.700 0.065 0.000 0.752 223 E HN 0.466 nan 8.360 nan 0.000 0.466 224 Q N 0.293 120.138 119.800 0.076 0.000 2.123 224 Q HA -0.116 4.226 4.340 0.004 0.000 0.199 224 Q C 2.084 178.131 176.000 0.077 0.000 0.966 224 Q CA 1.133 56.985 55.803 0.081 0.000 0.845 224 Q CB -0.019 28.761 28.738 0.069 0.000 0.907 224 Q HN 0.227 nan 8.270 nan 0.000 0.439 225 A N 0.561 123.416 122.820 0.060 0.000 1.902 225 A HA -0.242 4.080 4.320 0.004 0.000 0.217 225 A C 1.922 179.537 177.584 0.053 0.000 1.181 225 A CA 1.581 53.644 52.037 0.043 0.000 0.623 225 A CB -0.499 18.514 19.000 0.021 0.000 0.818 225 A HN 0.495 nan 8.150 nan 0.000 0.443 226 Q N -0.708 119.133 119.800 0.068 0.000 2.079 226 Q HA -0.192 4.150 4.340 0.004 0.000 0.200 226 Q C 2.209 178.267 176.000 0.097 0.000 0.974 226 Q CA 1.582 57.429 55.803 0.073 0.000 0.840 226 Q CB -0.190 28.597 28.738 0.080 0.000 0.898 226 Q HN 0.753 nan 8.270 nan 0.000 0.430 227 Q N -0.332 119.548 119.800 0.133 0.000 2.297 227 Q HA -0.045 4.297 4.340 0.004 0.000 0.204 227 Q C 1.886 178.003 176.000 0.194 0.000 0.962 227 Q CA 0.861 56.793 55.803 0.214 0.000 0.879 227 Q CB 0.039 28.919 28.738 0.237 0.000 0.947 227 Q HN 0.331 nan 8.270 nan 0.000 0.462 228 A N 1.337 124.223 122.820 0.109 0.000 1.898 228 A HA -0.166 4.156 4.320 0.004 0.000 0.214 228 A C 1.777 179.357 177.584 -0.007 0.000 1.183 228 A CA 1.014 53.083 52.037 0.053 0.000 0.622 228 A CB -0.183 18.843 19.000 0.044 0.000 0.824 228 A HN 0.275 nan 8.150 nan 0.000 0.444 229 E N -0.114 120.088 120.200 0.003 0.000 2.110 229 E HA -0.144 4.208 4.350 0.004 0.000 0.193 229 E C 1.804 178.366 176.600 -0.064 0.000 0.988 229 E CA 1.158 57.538 56.400 -0.033 0.000 0.804 229 E CB -0.295 29.392 29.700 -0.021 0.000 0.745 229 E HN 0.682 nan 8.360 nan 0.000 0.458 230 I N 0.438 120.995 120.570 -0.022 0.000 2.179 230 I HA -0.236 3.936 4.170 0.004 0.000 0.242 230 I C 2.518 178.533 176.117 -0.171 0.000 1.088 230 I CA 0.796 62.077 61.300 -0.031 0.000 1.357 230 I CB -0.168 37.896 38.000 0.106 0.000 1.051 230 I HN 0.043 nan 8.210 nan 0.000 0.409 231 V N 0.080 119.783 119.914 -0.351 0.000 2.548 231 V HA -0.223 3.899 4.120 0.004 0.000 0.249 231 V C 2.368 178.260 176.094 -0.337 0.000 1.055 231 V CA 2.381 64.298 62.300 -0.639 0.000 1.065 231 V CB -0.276 30.811 31.823 -1.227 0.000 0.681 231 V HN 0.456 nan 8.190 nan 0.000 0.462 232 T N 0.626 115.051 114.554 -0.216 0.000 2.746 232 T HA -0.117 4.235 4.350 0.004 0.000 0.267 232 T C 1.996 176.615 174.700 -0.135 0.000 1.039 232 T CA 1.654 63.672 62.100 -0.136 0.000 1.142 232 T CB -0.469 68.352 68.868 -0.078 0.000 0.866 232 T HN 0.662 nan 8.240 nan 0.000 0.444 233 A N 1.371 124.095 122.820 -0.160 0.000 1.902 233 A HA -0.016 4.307 4.320 0.004 0.000 0.217 233 A C 2.238 179.743 177.584 -0.131 0.000 1.181 233 A CA 1.371 53.305 52.037 -0.172 0.000 0.623 233 A CB -0.811 18.084 19.000 -0.176 0.000 0.818 233 A HN 0.427 nan 8.150 nan 0.000 0.443 234 L N -0.343 120.800 121.223 -0.133 0.000 2.012 234 L HA -0.122 4.221 4.340 0.004 0.000 0.210 234 L C 2.261 179.074 176.870 -0.095 0.000 1.073 234 L CA 2.114 56.891 54.840 -0.106 0.000 0.748 234 L CB -0.555 41.429 42.059 -0.125 0.000 0.891 234 L HN 0.450 nan 8.230 nan 0.000 0.431 235 L N -1.052 120.100 121.223 -0.118 0.000 2.046 235 L HA -0.212 4.130 4.340 0.004 0.000 0.208 235 L C 2.491 179.330 176.870 -0.051 0.000 1.077 235 L CA 1.594 56.379 54.840 -0.091 0.000 0.747 235 L CB -0.204 41.792 42.059 -0.104 0.000 0.896 235 L HN 0.321 nan 8.230 nan 0.000 0.432 236 I N -0.206 120.337 120.570 -0.045 0.000 2.286 236 I HA -0.301 3.871 4.170 0.004 0.000 0.248 236 I C 2.378 178.490 176.117 -0.008 0.000 1.115 236 I CA 1.393 62.689 61.300 -0.006 0.000 1.392 236 I CB -0.300 37.708 38.000 0.012 0.000 1.065 236 I HN 0.369 nan 8.210 nan 0.000 0.418 237 E N 0.901 121.080 120.200 -0.034 0.000 2.072 237 E HA -0.163 4.189 4.350 0.004 0.000 0.190 237 E C 2.379 178.970 176.600 -0.015 0.000 0.982 237 E CA 1.154 57.536 56.400 -0.030 0.000 0.803 237 E CB -0.158 29.509 29.700 -0.055 0.000 0.755 237 E HN 0.484 nan 8.360 nan 0.000 0.453 238 A N 0.950 123.755 122.820 -0.024 0.000 1.978 238 A HA -0.123 4.199 4.320 0.004 0.000 0.220 238 A C 2.208 179.806 177.584 0.023 0.000 1.170 238 A CA 1.138 53.166 52.037 -0.015 0.000 0.636 238 A CB -0.230 18.751 19.000 -0.032 0.000 0.810 238 A HN 0.210 nan 8.150 nan 0.000 0.448 239 V N -0.482 119.456 119.914 0.039 0.000 3.444 239 V HA 0.147 4.270 4.120 0.004 0.000 0.308 239 V C 0.076 176.251 176.094 0.136 0.000 1.371 239 V CA -0.066 62.300 62.300 0.109 0.000 1.141 239 V CB -1.040 30.820 31.823 0.062 0.000 1.037 239 V HN 0.584 nan 8.190 nan 0.000 0.433 240 R N 0.127 120.677 120.500 0.083 0.000 3.267 240 R HA -0.142 4.200 4.340 0.004 0.000 0.254 240 R C 0.605 176.882 176.300 -0.039 0.000 0.993 240 R CA 0.762 56.885 56.100 0.039 0.000 0.670 240 R CB -2.414 27.948 30.300 0.103 0.000 1.125 240 R HN 0.644 nan 8.270 nan 0.000 0.434 241 G N 0.146 108.944 108.800 -0.003 0.000 2.599 241 G HA2 0.281 4.243 3.960 0.004 0.000 0.264 241 G HA3 0.281 4.243 3.960 0.004 0.000 0.264 241 G C -0.021 174.906 174.900 0.045 0.000 1.200 241 G CA 0.052 45.158 45.100 0.010 0.000 0.896 241 G HN 0.222 nan 8.290 nan 0.000 0.536 242 S N -1.834 113.901 115.700 0.059 0.000 2.584 242 S HA 0.344 4.816 4.470 0.004 0.000 0.273 242 S C 1.647 176.343 174.600 0.161 0.000 1.311 242 S CA 0.184 58.433 58.200 0.081 0.000 1.034 242 S CB 0.988 64.225 63.200 0.063 0.000 0.939 242 S HN 0.882 nan 8.310 nan 0.000 0.513 243 T N 0.842 115.497 114.554 0.169 0.000 3.081 243 T HA 0.050 4.402 4.350 0.004 0.000 0.250 243 T C 1.903 176.701 174.700 0.164 0.000 1.100 243 T CA 0.759 63.026 62.100 0.279 0.000 1.038 243 T CB -0.237 68.749 68.868 0.197 0.000 0.962 243 T HN 0.465 nan 8.240 nan 0.000 0.516 244 S N 2.872 118.601 115.700 0.048 0.000 2.372 244 S HA -0.049 4.423 4.470 0.004 0.000 0.227 244 S C -0.605 173.900 174.600 -0.159 0.000 1.044 244 S CA 1.418 59.591 58.200 -0.045 0.000 1.050 244 S CB -1.241 61.909 63.200 -0.084 0.000 0.901 244 S HN 0.436 nan 8.310 nan 0.000 0.447 245 P HA -0.037 nan 4.420 nan 0.000 0.221 245 P C 0.396 177.394 177.300 -0.503 0.000 1.145 245 P CA 0.994 63.755 63.100 -0.565 0.000 0.795 245 P CB -0.118 31.051 31.700 -0.886 0.000 0.775 246 F N -2.103 117.921 119.950 0.122 0.000 2.695 246 F HA 0.185 4.714 4.527 0.004 0.000 0.303 246 F C 1.055 176.952 175.800 0.163 0.000 1.091 246 F CA -0.552 57.523 58.000 0.125 0.000 1.300 246 F CB -0.900 38.110 39.000 0.017 0.000 1.071 246 F HN -0.256 nan 8.300 nan 0.000 0.578 247 L N 0.762 122.123 121.223 0.230 0.000 2.578 247 L HA -0.013 4.329 4.340 0.004 0.000 0.279 247 L C 1.762 178.762 176.870 0.216 0.000 1.227 247 L CA -0.094 54.843 54.840 0.160 0.000 0.900 247 L CB 0.320 42.413 42.059 0.056 0.000 1.144 247 L HN 0.242 nan 8.230 nan 0.000 0.496 248 A N 3.845 126.766 122.820 0.168 0.000 1.892 248 A HA -0.213 4.109 4.320 0.004 0.000 0.218 248 A C 2.126 179.788 177.584 0.130 0.000 1.188 248 A CA 1.823 53.965 52.037 0.174 0.000 0.631 248 A CB -0.492 18.566 19.000 0.096 0.000 0.822 248 A HN 0.930 nan 8.150 nan 0.000 0.447 249 E N -0.139 120.090 120.200 0.049 0.000 2.147 249 E HA -0.190 4.163 4.350 0.004 0.000 0.199 249 E C 1.893 178.449 176.600 -0.074 0.000 1.005 249 E CA 1.611 58.006 56.400 -0.009 0.000 0.810 249 E CB -1.089 28.596 29.700 -0.024 0.000 0.736 249 E HN 0.486 nan 8.360 nan 0.000 0.460 250 G N -0.096 108.609 108.800 -0.158 0.000 2.509 250 G HA2 -0.182 3.780 3.960 0.004 0.000 0.218 250 G HA3 -0.182 3.780 3.960 0.004 0.000 0.218 250 G C 0.781 175.334 174.900 -0.579 0.000 1.124 250 G CA 1.170 46.027 45.100 -0.404 0.000 0.776 250 G HN 0.427 nan 8.290 nan 0.000 0.547 251 H N -0.689 118.376 119.070 -0.009 0.000 2.249 251 H HA 0.191 4.749 4.556 0.003 0.000 0.261 251 H C 1.915 177.243 175.328 0.000 0.000 0.976 251 H CA 0.246 56.297 56.048 0.005 0.000 1.322 251 H CB -0.149 29.632 29.762 0.031 0.000 1.418 251 H HN 0.079 nan 8.280 nan 0.000 0.561 252 D N 0.663 121.152 120.400 0.147 0.000 2.203 252 D HA -0.135 4.507 4.640 0.004 0.000 0.199 252 D C 1.588 177.902 176.300 0.024 0.000 0.997 252 D CA 1.541 55.585 54.000 0.073 0.000 0.863 252 D CB 0.153 40.992 40.800 0.064 0.000 0.928 252 D HN 0.394 nan 8.370 nan 0.000 0.458 253 I N -0.377 120.195 120.570 0.003 0.000 2.900 253 I HA 0.063 4.235 4.170 0.004 0.000 0.251 253 I C 2.249 178.338 176.117 -0.046 0.000 1.102 253 I CA 0.473 61.759 61.300 -0.023 0.000 1.457 253 I CB -0.160 37.824 38.000 -0.026 0.000 1.285 253 I HN -0.082 nan 8.210 nan 0.000 0.459 254 A N 0.389 123.166 122.820 -0.071 0.000 1.929 254 A HA -0.038 4.284 4.320 0.004 0.000 0.216 254 A C 1.713 179.245 177.584 -0.087 0.000 1.176 254 A CA 1.147 53.131 52.037 -0.089 0.000 0.628 254 A CB -0.104 18.822 19.000 -0.124 0.000 0.816 254 A HN 0.340 nan 8.150 nan 0.000 0.444 255 R N -0.543 119.910 120.500 -0.078 0.000 2.718 255 R HA 0.244 4.586 4.340 0.004 0.000 0.266 255 R C -2.739 173.529 176.300 -0.054 0.000 1.776 255 R CA -1.444 54.612 56.100 -0.073 0.000 1.567 255 R CB 0.856 31.146 30.300 -0.016 0.000 1.336 255 R HN 0.066 nan 8.270 nan 0.000 0.619 256 P HA -0.089 nan 4.420 nan 0.000 0.316 256 P C -0.763 176.492 177.300 -0.074 0.000 1.508 256 P CA 0.625 63.682 63.100 -0.071 0.000 0.741 256 P CB -0.409 31.242 31.700 -0.081 0.000 1.593 257 H N -0.444 118.657 119.070 0.053 0.000 2.848 257 H HA 0.033 4.592 4.556 0.004 0.000 0.317 257 H C 1.579 176.954 175.328 0.078 0.000 1.046 257 H CA 0.071 56.151 56.048 0.054 0.000 1.470 257 H CB 0.805 30.591 29.762 0.040 0.000 1.483 257 H HN 0.172 nan 8.280 nan 0.000 0.548 258 E N 3.019 123.349 120.200 0.217 0.000 2.049 258 E HA -0.217 4.136 4.350 0.004 0.000 0.198 258 E C 2.256 179.006 176.600 0.250 0.000 1.007 258 E CA 1.376 57.901 56.400 0.207 0.000 0.809 258 E CB -0.185 29.653 29.700 0.230 0.000 0.749 258 E HN 0.947 nan 8.360 nan 0.000 0.450 259 G N 0.542 109.489 108.800 0.244 0.000 2.440 259 G HA2 -0.358 3.604 3.960 0.004 0.000 0.218 259 G HA3 -0.358 3.604 3.960 0.004 0.000 0.218 259 G C 1.458 176.407 174.900 0.081 0.000 1.154 259 G CA 0.982 46.154 45.100 0.121 0.000 0.767 259 G HN 0.348 nan 8.290 nan 0.000 0.552 260 Q N -0.216 119.643 119.800 0.099 0.000 2.084 260 Q HA -0.054 4.289 4.340 0.004 0.000 0.202 260 Q C 2.575 178.589 176.000 0.023 0.000 0.978 260 Q CA 1.172 57.023 55.803 0.081 0.000 0.844 260 Q CB -0.215 28.635 28.738 0.186 0.000 0.898 260 Q HN 0.568 nan 8.270 nan 0.000 0.426 261 I N 1.017 121.640 120.570 0.087 0.000 2.226 261 I HA -0.295 3.877 4.170 0.004 0.000 0.245 261 I C 1.643 177.775 176.117 0.024 0.000 1.100 261 I CA 1.223 62.558 61.300 0.058 0.000 1.374 261 I CB -0.272 37.785 38.000 0.093 0.000 1.057 261 I HN 0.248 nan 8.210 nan 0.000 0.413 262 D N 0.266 120.708 120.400 0.070 0.000 2.097 262 D HA -0.137 4.505 4.640 0.004 0.000 0.197 262 D C 2.222 178.540 176.300 0.031 0.000 0.984 262 D CA 1.511 55.556 54.000 0.075 0.000 0.826 262 D CB -0.445 40.458 40.800 0.171 0.000 0.973 262 D HN 0.231 nan 8.370 nan 0.000 0.460 263 T N 0.744 115.305 114.554 0.012 0.000 2.708 263 T HA -0.115 4.237 4.350 0.004 0.000 0.266 263 T C 2.006 176.679 174.700 -0.045 0.000 1.037 263 T CA 1.569 63.662 62.100 -0.012 0.000 1.146 263 T CB -0.331 68.532 68.868 -0.007 0.000 0.865 263 T HN 0.189 nan 8.240 nan 0.000 0.435 264 A N 1.572 124.322 122.820 -0.116 0.000 1.883 264 A HA 0.045 4.367 4.320 0.004 0.000 0.217 264 A C 2.657 180.208 177.584 -0.056 0.000 1.186 264 A CA 2.092 54.040 52.037 -0.148 0.000 0.624 264 A CB -1.243 17.403 19.000 -0.590 0.000 0.822 264 A HN 0.518 nan 8.150 nan 0.000 0.444 265 A N 0.065 122.859 122.820 -0.044 0.000 1.883 265 A HA -0.235 4.087 4.320 0.004 0.000 0.217 265 A C 1.950 179.517 177.584 -0.029 0.000 1.186 265 A CA 2.041 54.070 52.037 -0.014 0.000 0.624 265 A CB -0.715 18.288 19.000 0.004 0.000 0.822 265 A HN 0.547 nan 8.150 nan 0.000 0.444 266 N N -0.545 118.135 118.700 -0.033 0.000 2.120 266 N HA -0.115 4.627 4.740 0.004 0.000 0.188 266 N C 1.659 177.109 175.510 -0.101 0.000 1.024 266 N CA 1.577 54.601 53.050 -0.043 0.000 0.852 266 N CB -0.384 38.090 38.487 -0.022 0.000 1.003 266 N HN 0.342 nan 8.380 nan 0.000 0.424 267 M N 0.664 120.166 119.600 -0.164 0.000 2.117 267 M HA -0.038 4.444 4.480 0.004 0.000 0.262 267 M C 1.905 178.007 176.300 -0.331 0.000 1.065 267 M CA 1.182 56.269 55.300 -0.355 0.000 1.114 267 M CB -0.917 31.279 32.600 -0.674 0.000 1.361 267 M HN 0.146 nan 8.290 nan 0.000 0.408 268 R N -0.179 120.211 120.500 -0.183 0.000 2.081 268 R HA -0.073 4.270 4.340 0.004 0.000 0.235 268 R C 2.264 178.519 176.300 -0.076 0.000 1.131 268 R CA 1.562 57.608 56.100 -0.090 0.000 0.960 268 R CB -0.545 29.756 30.300 0.001 0.000 0.856 268 R HN 0.395 nan 8.270 nan 0.000 0.436 269 A N 1.111 123.892 122.820 -0.065 0.000 1.930 269 A HA -0.081 4.242 4.320 0.004 0.000 0.217 269 A C 2.175 179.726 177.584 -0.055 0.000 1.175 269 A CA 0.963 52.973 52.037 -0.044 0.000 0.627 269 A CB -0.405 18.579 19.000 -0.027 0.000 0.815 269 A HN 0.162 nan 8.150 nan 0.000 0.443 270 L N -1.278 119.896 121.223 -0.082 0.000 2.093 270 L HA -0.089 4.253 4.340 0.004 0.000 0.208 270 L C 2.345 179.162 176.870 -0.089 0.000 1.085 270 L CA 1.183 55.975 54.840 -0.079 0.000 0.755 270 L CB -0.298 41.700 42.059 -0.100 0.000 0.904 270 L HN 0.402 nan 8.230 nan 0.000 0.435 271 M N -1.269 118.259 119.600 -0.120 0.000 2.428 271 M HA 0.065 4.547 4.480 0.004 0.000 0.239 271 M C 0.592 176.852 176.300 -0.066 0.000 1.121 271 M CA 0.010 55.247 55.300 -0.104 0.000 1.019 271 M CB 0.157 32.672 32.600 -0.142 0.000 1.485 271 M HN 0.013 nan 8.290 nan 0.000 0.484 272 R N 0.954 121.422 120.500 -0.053 0.000 2.522 272 R HA 0.167 4.509 4.340 0.004 0.000 0.284 272 R C 1.024 177.304 176.300 -0.032 0.000 1.032 272 R CA 1.274 57.354 56.100 -0.032 0.000 1.049 272 R CB 0.187 30.473 30.300 -0.024 0.000 0.956 272 R HN 0.511 nan 8.270 nan 0.000 0.422 273 G N 2.007 110.790 108.800 -0.027 0.000 2.157 273 G HA2 -0.294 3.668 3.960 0.004 0.000 0.248 273 G HA3 -0.294 3.668 3.960 0.004 0.000 0.248 273 G C 0.054 174.928 174.900 -0.043 0.000 0.979 273 G CA 0.322 45.404 45.100 -0.031 0.000 0.650 273 G HN 0.661 nan 8.290 nan 0.000 0.529 274 S N -0.211 115.463 115.700 -0.044 0.000 2.565 274 S HA 0.557 5.029 4.470 0.004 0.000 0.276 274 S C 1.538 176.113 174.600 -0.041 0.000 1.326 274 S CA 0.900 59.068 58.200 -0.053 0.000 1.045 274 S CB 1.170 64.340 63.200 -0.051 0.000 0.918 274 S HN 1.311 nan 8.310 nan 0.000 0.505 275 G N 3.265 112.035 108.800 -0.051 0.000 3.126 275 G HA2 0.208 4.171 3.960 0.004 0.000 0.224 275 G HA3 0.208 4.171 3.960 0.004 0.000 0.224 275 G C 0.836 175.721 174.900 -0.025 0.000 1.142 275 G CA -0.128 44.951 45.100 -0.036 0.000 0.759 275 G HN 0.656 nan 8.290 nan 0.000 0.550 276 L N 0.951 122.158 121.223 -0.027 0.000 2.357 276 L HA 0.174 4.517 4.340 0.004 0.000 0.211 276 L C 1.833 178.706 176.870 0.006 0.000 1.075 276 L CA 0.497 55.332 54.840 -0.008 0.000 0.830 276 L CB -0.373 41.675 42.059 -0.018 0.000 0.996 276 L HN 0.167 nan 8.230 nan 0.000 0.467 277 T N -0.032 114.522 114.554 -0.000 0.000 2.856 277 T HA 0.326 4.678 4.350 0.004 0.000 0.306 277 T C -0.093 174.618 174.700 0.017 0.000 1.062 277 T CA -0.564 61.544 62.100 0.014 0.000 1.083 277 T CB 1.210 70.091 68.868 0.021 0.000 0.984 277 T HN 0.032 nan 8.240 nan 0.000 0.542 278 V N -1.037 118.890 119.914 0.022 0.000 2.628 278 V HA 0.665 4.787 4.120 0.004 0.000 0.306 278 V C -0.300 175.816 176.094 0.037 0.000 1.045 278 V CA -1.182 61.127 62.300 0.015 0.000 0.905 278 V CB 1.760 33.577 31.823 -0.011 0.000 0.997 278 V HN 0.898 nan 8.190 nan 0.000 0.436 279 E N 1.534 121.754 120.200 0.033 0.000 2.349 279 E HA 0.200 4.553 4.350 0.004 0.000 0.265 279 E C 0.586 177.222 176.600 0.060 0.000 1.064 279 E CA -0.161 56.273 56.400 0.058 0.000 0.886 279 E CB 1.417 31.145 29.700 0.046 0.000 1.036 279 E HN 0.999 nan 8.360 nan 0.000 0.413 280 H N 2.571 121.643 119.070 0.003 0.000 2.319 280 H HA -0.164 4.394 4.556 0.004 0.000 0.299 280 H C 1.726 177.050 175.328 -0.007 0.000 1.092 280 H CA 2.601 58.645 56.048 -0.006 0.000 1.302 280 H CB 0.080 29.836 29.762 -0.010 0.000 1.373 280 H HN 0.605 nan 8.280 nan 0.000 0.497 281 A N 0.581 123.398 122.820 -0.006 0.000 1.927 281 A HA -0.255 4.067 4.320 0.004 0.000 0.220 281 A C 2.175 179.701 177.584 -0.097 0.000 1.185 281 A CA 2.166 54.170 52.037 -0.054 0.000 0.639 281 A CB -0.614 18.392 19.000 0.009 0.000 0.820 281 A HN 0.624 nan 8.150 nan 0.000 0.451 282 D N -0.371 119.990 120.400 -0.066 0.000 2.144 282 D HA -0.072 4.570 4.640 0.004 0.000 0.200 282 D C 2.013 178.260 176.300 -0.089 0.000 0.978 282 D CA 0.910 54.875 54.000 -0.059 0.000 0.833 282 D CB -0.243 40.540 40.800 -0.029 0.000 0.961 282 D HN 0.445 nan 8.370 nan 0.000 0.470 283 L N 0.688 121.835 121.223 -0.126 0.000 2.046 283 L HA -0.149 4.194 4.340 0.004 0.000 0.208 283 L C 2.743 179.505 176.870 -0.179 0.000 1.077 283 L CA 0.920 55.676 54.840 -0.139 0.000 0.747 283 L CB -0.201 41.773 42.059 -0.142 0.000 0.896 283 L HN -0.039 nan 8.230 nan 0.000 0.432 284 R N 0.221 120.546 120.500 -0.292 0.000 2.083 284 R HA -0.189 4.153 4.340 0.004 0.000 0.237 284 R C 2.428 178.650 176.300 -0.130 0.000 1.137 284 R CA 1.586 57.535 56.100 -0.252 0.000 0.951 284 R CB -0.068 30.037 30.300 -0.325 0.000 0.851 284 R HN 0.315 nan 8.270 nan 0.000 0.434 285 R N 0.106 120.543 120.500 -0.105 0.000 2.066 285 R HA -0.133 4.210 4.340 0.004 0.000 0.232 285 R C 2.378 178.647 176.300 -0.052 0.000 1.131 285 R CA 1.589 57.652 56.100 -0.063 0.000 0.955 285 R CB -0.410 29.861 30.300 -0.048 0.000 0.851 285 R HN 0.418 nan 8.270 nan 0.000 0.432 286 E N 0.957 121.124 120.200 -0.055 0.000 2.097 286 E HA -0.241 4.111 4.350 0.004 0.000 0.196 286 E C 1.857 178.433 176.600 -0.039 0.000 1.000 286 E CA 1.202 57.579 56.400 -0.039 0.000 0.804 286 E CB 0.017 29.695 29.700 -0.037 0.000 0.740 286 E HN 0.131 nan 8.360 nan 0.000 0.454 287 L N 1.057 122.247 121.223 -0.055 0.000 2.109 287 L HA -0.127 4.215 4.340 0.004 0.000 0.207 287 L C 2.234 179.077 176.870 -0.045 0.000 1.086 287 L CA 1.605 56.413 54.840 -0.053 0.000 0.760 287 L CB -0.344 41.675 42.059 -0.067 0.000 0.910 287 L HN 0.143 nan 8.230 nan 0.000 0.437 288 Q N -0.550 119.223 119.800 -0.046 0.000 2.061 288 Q HA -0.248 4.094 4.340 0.004 0.000 0.204 288 Q C 2.133 178.116 176.000 -0.028 0.000 0.984 288 Q CA 2.007 57.789 55.803 -0.036 0.000 0.846 288 Q CB -0.141 28.576 28.738 -0.035 0.000 0.902 288 Q HN 0.470 nan 8.270 nan 0.000 0.421 289 K N 0.319 120.703 120.400 -0.026 0.000 2.209 289 K HA -0.180 4.142 4.320 0.004 0.000 0.204 289 K C 1.369 177.959 176.600 -0.017 0.000 1.048 289 K CA 1.354 57.629 56.287 -0.019 0.000 0.940 289 K CB -0.011 32.479 32.500 -0.017 0.000 0.729 289 K HN 0.157 nan 8.250 nan 0.000 0.451 290 D N 0.680 121.068 120.400 -0.021 0.000 2.348 290 D HA -0.020 4.622 4.640 0.004 0.000 0.211 290 D C -0.302 175.985 176.300 -0.022 0.000 0.998 290 D CA 0.462 54.450 54.000 -0.019 0.000 0.873 290 D CB 0.383 41.170 40.800 -0.021 0.000 0.925 290 D HN -0.028 nan 8.370 nan 0.000 0.524 291 K N 1.021 121.407 120.400 -0.024 0.000 2.172 291 K HA 0.276 4.598 4.320 0.004 0.000 0.276 291 K C -0.095 176.494 176.600 -0.018 0.000 1.013 291 K CA -0.345 55.928 56.287 -0.024 0.000 0.913 291 K CB 1.766 34.251 32.500 -0.026 0.000 1.055 291 K HN 0.148 nan 8.250 nan 0.000 0.461 292 E N 0.834 121.024 120.200 -0.017 0.000 2.283 292 E HA 0.341 4.693 4.350 0.004 0.000 0.267 292 E C -0.479 176.113 176.600 -0.013 0.000 1.045 292 E CA -0.744 55.648 56.400 -0.014 0.000 0.884 292 E CB 1.443 31.136 29.700 -0.012 0.000 1.106 292 E HN 0.623 nan 8.360 nan 0.000 0.408 293 A N 0.670 123.483 122.820 -0.011 0.000 2.287 293 A HA 0.619 4.941 4.320 0.004 0.000 0.273 293 A C 0.996 178.575 177.584 -0.010 0.000 1.091 293 A CA 0.469 52.500 52.037 -0.010 0.000 0.817 293 A CB 0.264 19.258 19.000 -0.009 0.000 1.069 293 A HN 0.755 nan 8.150 nan 0.000 0.492 294 G N 0.417 109.211 108.800 -0.009 0.000 4.365 294 G HA2 -0.266 3.696 3.960 0.004 0.000 0.214 294 G HA3 -0.266 3.696 3.960 0.004 0.000 0.214 294 G C 0.392 175.286 174.900 -0.009 0.000 1.450 294 G CA 0.349 45.444 45.100 -0.009 0.000 0.937 294 G HN 1.380 nan 8.290 nan 0.000 0.625 295 K N 1.967 122.360 120.400 -0.010 0.000 2.416 295 K HA 0.425 4.747 4.320 0.004 0.000 0.283 295 K C 0.329 176.922 176.600 -0.013 0.000 1.037 295 K CA 0.673 56.953 56.287 -0.011 0.000 0.995 295 K CB 0.872 33.364 32.500 -0.012 0.000 0.938 295 K HN 0.532 nan 8.250 nan 0.000 0.475 296 D N 1.175 121.568 120.400 -0.012 0.000 2.340 296 D HA 0.010 4.652 4.640 0.004 0.000 0.220 296 D C -0.275 176.016 176.300 -0.015 0.000 1.039 296 D CA -0.202 53.790 54.000 -0.013 0.000 0.866 296 D CB 0.328 41.121 40.800 -0.011 0.000 0.913 296 D HN 0.199 nan 8.370 nan 0.000 0.523 297 V N 1.148 121.052 119.914 -0.017 0.000 2.624 297 V HA 0.289 4.411 4.120 0.004 0.000 0.294 297 V C -1.185 174.896 176.094 -0.022 0.000 1.077 297 V CA -0.895 61.393 62.300 -0.020 0.000 0.905 297 V CB 1.500 33.312 31.823 -0.018 0.000 1.025 297 V HN 0.300 nan 8.190 nan 0.000 0.440 298 Q N 4.029 123.813 119.800 -0.028 0.000 2.416 298 Q HA 0.770 5.113 4.340 0.004 0.000 0.281 298 Q C -1.118 174.858 176.000 -0.040 0.000 1.067 298 Q CA -1.208 54.578 55.803 -0.029 0.000 0.809 298 Q CB 2.851 31.573 28.738 -0.026 0.000 1.418 298 Q HN 0.618 nan 8.270 nan 0.000 0.411 299 R N 0.725 121.201 120.500 -0.040 0.000 2.500 299 R HA 0.644 4.986 4.340 0.004 0.000 0.275 299 R C -0.519 175.745 176.300 -0.058 0.000 1.051 299 R CA -0.465 55.603 56.100 -0.053 0.000 1.088 299 R CB 1.589 31.864 30.300 -0.041 0.000 1.063 299 R HN 0.690 nan 8.270 nan 0.000 0.511 300 S N -0.294 115.354 115.700 -0.087 0.000 2.579 300 S HA 0.167 4.639 4.470 0.004 0.000 0.272 300 S C -0.185 174.349 174.600 -0.110 0.000 1.141 300 S CA -0.776 57.373 58.200 -0.086 0.000 0.843 300 S CB 1.749 64.891 63.200 -0.097 0.000 1.122 300 S HN 0.715 nan 8.310 nan 0.000 0.468 301 E N 1.494 121.662 120.200 -0.054 0.000 2.474 301 E HA 0.246 4.599 4.350 0.004 0.000 0.194 301 E C -0.247 176.360 176.600 0.011 0.000 1.041 301 E CA 0.224 56.623 56.400 -0.002 0.000 0.874 301 E CB 0.225 29.965 29.700 0.067 0.000 0.914 301 E HN 0.554 nan 8.360 nan 0.000 0.498 302 I N 1.403 121.939 120.570 -0.057 0.000 2.395 302 I HA 0.086 4.259 4.170 0.004 0.000 0.289 302 I C -0.556 175.477 176.117 -0.139 0.000 1.023 302 I CA -0.415 60.867 61.300 -0.030 0.000 1.350 302 I CB 0.409 38.388 38.000 -0.035 0.000 1.409 302 I HN -0.086 nan 8.210 nan 0.000 0.507 303 Y N 5.944 126.214 120.300 -0.051 0.000 2.434 303 Y HA 0.145 4.696 4.550 0.003 0.000 0.341 303 Y C 0.731 176.603 175.900 -0.046 0.000 0.965 303 Y CA -0.531 57.544 58.100 -0.041 0.000 1.205 303 Y CB 1.455 39.889 38.460 -0.043 0.000 1.121 303 Y HN 0.509 nan 8.280 nan 0.000 0.507 304 L N 2.213 123.473 121.223 0.061 0.000 2.191 304 L HA -0.102 4.240 4.340 0.004 0.000 0.212 304 L C 0.238 177.171 176.870 0.105 0.000 1.103 304 L CA 1.868 56.740 54.840 0.054 0.000 0.769 304 L CB -0.193 41.896 42.059 0.049 0.000 0.908 304 L HN 0.598 nan 8.230 nan 0.000 0.438 305 Q N -0.559 119.317 119.800 0.126 0.000 2.397 305 Q HA 0.368 4.710 4.340 0.004 0.000 0.275 305 Q C -0.768 175.294 176.000 0.104 0.000 1.090 305 Q CA -1.096 54.768 55.803 0.103 0.000 0.809 305 Q CB 2.086 30.881 28.738 0.095 0.000 1.362 305 Q HN -0.099 nan 8.270 nan 0.000 0.431 306 K N 0.383 120.811 120.400 0.047 0.000 2.132 306 K HA 0.622 4.944 4.320 0.004 0.000 0.241 306 K C -0.215 176.405 176.600 0.034 0.000 1.000 306 K CA -0.572 55.715 56.287 0.000 0.000 0.911 306 K CB 0.693 33.184 32.500 -0.015 0.000 1.093 306 K HN 0.741 nan 8.250 nan 0.000 0.460 307 A N 0.558 123.370 122.820 -0.013 0.000 2.429 307 A HA 0.044 4.366 4.320 0.004 0.000 0.242 307 A C 0.606 178.288 177.584 0.164 0.000 1.088 307 A CA 0.129 52.177 52.037 0.018 0.000 0.784 307 A CB -0.249 18.712 19.000 -0.066 0.000 1.038 307 A HN 0.605 nan 8.150 nan 0.000 0.501 308 Y N 1.123 121.409 120.300 -0.024 0.000 2.139 308 Y HA -0.248 4.303 4.550 0.002 0.000 0.282 308 Y C 3.027 178.921 175.900 -0.010 0.000 1.179 308 Y CA 1.913 60.002 58.100 -0.018 0.000 1.161 308 Y CB -1.414 37.039 38.460 -0.012 0.000 0.970 308 Y HN 0.776 nan 8.280 nan 0.000 0.511 309 S N -0.529 115.266 115.700 0.157 0.000 2.465 309 S HA -0.118 4.354 4.470 0.004 0.000 0.241 309 S C 1.431 176.076 174.600 0.075 0.000 1.000 309 S CA 1.052 59.306 58.200 0.089 0.000 0.964 309 S CB -0.751 62.478 63.200 0.048 0.000 0.763 309 S HN 0.476 nan 8.310 nan 0.000 0.512 310 L N -0.133 121.138 121.223 0.079 0.000 2.910 310 L HA 0.492 4.834 4.340 0.004 0.000 0.252 310 L C 1.919 178.843 176.870 0.090 0.000 1.195 310 L CA -0.115 54.779 54.840 0.090 0.000 1.003 310 L CB 0.229 42.325 42.059 0.060 0.000 1.328 310 L HN 0.291 nan 8.230 nan 0.000 0.540 311 R N -0.278 120.248 120.500 0.042 0.000 3.001 311 R HA 0.258 4.600 4.340 0.004 0.000 0.160 311 R C 0.860 177.084 176.300 -0.126 0.000 0.830 311 R CA 0.701 56.752 56.100 -0.082 0.000 1.363 311 R CB 0.163 30.445 30.300 -0.030 0.000 1.669 311 R HN 0.019 nan 8.270 nan 0.000 0.553 312 A N 1.115 123.897 122.820 -0.063 0.000 3.012 312 A HA 0.308 4.631 4.320 0.004 0.000 0.295 312 A C 0.635 178.223 177.584 0.007 0.000 1.338 312 A CA -0.307 51.686 52.037 -0.074 0.000 0.981 312 A CB -0.319 18.581 19.000 -0.168 0.000 1.091 312 A HN 0.257 nan 8.150 nan 0.000 0.602 313 I N 0.497 121.111 120.570 0.073 0.000 2.179 313 I HA -0.100 4.072 4.170 0.004 0.000 0.242 313 I C -0.623 175.548 176.117 0.089 0.000 1.088 313 I CA 1.525 62.894 61.300 0.116 0.000 1.357 313 I CB -1.012 37.125 38.000 0.228 0.000 1.051 313 I HN 0.224 nan 8.210 nan 0.000 0.409 314 P HA -0.162 nan 4.420 nan 0.000 0.216 314 P C 1.573 178.898 177.300 0.042 0.000 1.153 314 P CA 1.315 64.440 63.100 0.043 0.000 0.848 314 P CB 0.018 31.701 31.700 -0.028 0.000 0.787 315 Q N -0.850 118.978 119.800 0.046 0.000 2.046 315 Q HA -0.092 4.250 4.340 0.004 0.000 0.200 315 Q C 2.154 178.138 176.000 -0.026 0.000 0.975 315 Q CA 1.371 57.180 55.803 0.012 0.000 0.836 315 Q CB -1.481 27.244 28.738 -0.021 0.000 0.896 315 Q HN 0.092 nan 8.270 nan 0.000 0.428 316 V N -0.471 119.431 119.914 -0.019 0.000 2.283 316 V HA -0.166 3.956 4.120 0.004 0.000 0.243 316 V C 2.078 178.156 176.094 -0.026 0.000 1.039 316 V CA 1.382 63.668 62.300 -0.023 0.000 1.016 316 V CB -0.520 31.302 31.823 -0.003 0.000 0.650 316 V HN 0.162 nan 8.190 nan 0.000 0.449 317 V N 1.081 120.988 119.914 -0.011 0.000 2.515 317 V HA -0.102 4.020 4.120 0.004 0.000 0.250 317 V C 2.599 178.664 176.094 -0.049 0.000 1.058 317 V CA 1.876 64.164 62.300 -0.020 0.000 1.064 317 V CB -1.349 30.473 31.823 -0.002 0.000 0.675 317 V HN 0.607 nan 8.190 nan 0.000 0.461 318 G N -0.087 108.690 108.800 -0.039 0.000 2.422 318 G HA2 -0.177 3.786 3.960 0.004 0.000 0.218 318 G HA3 -0.177 3.786 3.960 0.004 0.000 0.218 318 G C 1.744 176.584 174.900 -0.101 0.000 1.146 318 G CA 0.977 46.047 45.100 -0.050 0.000 0.769 318 G HN 0.591 nan 8.290 nan 0.000 0.547 319 A N 0.105 122.862 122.820 -0.105 0.000 1.930 319 A HA 0.131 4.453 4.320 0.004 0.000 0.217 319 A C 2.585 180.095 177.584 -0.125 0.000 1.175 319 A CA 1.656 53.611 52.037 -0.137 0.000 0.627 319 A CB -0.510 18.412 19.000 -0.131 0.000 0.815 319 A HN 0.234 nan 8.150 nan 0.000 0.443 320 V N -0.041 119.812 119.914 -0.101 0.000 2.295 320 V HA -0.270 3.852 4.120 0.004 0.000 0.246 320 V C 2.628 178.625 176.094 -0.161 0.000 1.049 320 V CA 2.251 64.498 62.300 -0.088 0.000 1.024 320 V CB -0.803 30.989 31.823 -0.052 0.000 0.648 320 V HN 0.526 nan 8.190 nan 0.000 0.447 321 R N -0.139 120.211 120.500 -0.249 0.000 2.083 321 R HA -0.189 4.153 4.340 0.004 0.000 0.237 321 R C 2.147 177.952 176.300 -0.826 0.000 1.137 321 R CA 1.895 57.659 56.100 -0.560 0.000 0.951 321 R CB -0.500 29.474 30.300 -0.543 0.000 0.851 321 R HN 0.518 nan 8.270 nan 0.000 0.434 322 D N -0.426 119.712 120.400 -0.437 0.000 2.123 322 D HA -0.127 4.515 4.640 0.004 0.000 0.196 322 D C 1.778 178.045 176.300 -0.055 0.000 0.992 322 D CA 1.599 55.488 54.000 -0.184 0.000 0.833 322 D CB -0.261 40.500 40.800 -0.066 0.000 0.954 322 D HN 0.229 nan 8.370 nan 0.000 0.455 323 T N 1.029 115.544 114.554 -0.066 0.000 2.777 323 T HA -0.043 4.309 4.350 0.004 0.000 0.266 323 T C 2.225 177.000 174.700 0.125 0.000 1.040 323 T CA 0.485 62.619 62.100 0.057 0.000 1.141 323 T CB -0.162 68.729 68.868 0.039 0.000 0.868 323 T HN 0.141 nan 8.240 nan 0.000 0.444 324 L N -0.355 120.870 121.223 0.003 0.000 2.093 324 L HA -0.065 4.277 4.340 0.004 0.000 0.208 324 L C 2.492 179.476 176.870 0.190 0.000 1.085 324 L CA 1.236 56.111 54.840 0.059 0.000 0.755 324 L CB -0.648 41.401 42.059 -0.017 0.000 0.904 324 L HN 0.251 nan 8.230 nan 0.000 0.435 325 Y N -0.971 119.405 120.300 0.127 0.000 2.200 325 Y HA -0.250 4.303 4.550 0.004 0.000 0.290 325 Y C 2.777 178.781 175.900 0.173 0.000 1.137 325 Y CA 1.004 59.176 58.100 0.121 0.000 1.163 325 Y CB -1.227 37.292 38.460 0.097 0.000 0.988 325 Y HN 0.272 nan 8.280 nan 0.000 0.518 326 H N -0.029 119.211 119.070 0.283 0.000 2.353 326 H HA -0.121 4.438 4.556 0.005 0.000 0.300 326 H C 2.131 177.608 175.328 0.247 0.000 1.090 326 H CA 1.407 57.613 56.048 0.263 0.000 1.327 326 H CB 0.068 29.963 29.762 0.222 0.000 1.383 326 H HN 0.295 nan 8.280 nan 0.000 0.508 327 A N 1.370 124.306 122.820 0.193 0.000 1.898 327 A HA -0.162 4.161 4.320 0.004 0.000 0.216 327 A C 2.582 180.201 177.584 0.058 0.000 1.181 327 A CA 1.432 53.526 52.037 0.094 0.000 0.620 327 A CB -0.660 18.427 19.000 0.145 0.000 0.819 327 A HN 0.453 nan 8.150 nan 0.000 0.442 328 R N -1.231 119.343 120.500 0.123 0.000 2.096 328 R HA -0.189 4.153 4.340 0.004 0.000 0.235 328 R C 2.198 178.565 176.300 0.111 0.000 1.127 328 R CA 1.686 57.853 56.100 0.112 0.000 0.968 328 R CB -0.530 29.859 30.300 0.149 0.000 0.861 328 R HN 0.839 nan 8.270 nan 0.000 0.440 329 H N 0.276 119.350 119.070 0.007 0.000 2.321 329 H HA -0.107 4.451 4.556 0.003 0.000 0.300 329 H C 1.415 176.708 175.328 -0.058 0.000 1.087 329 H CA 1.383 57.417 56.048 -0.023 0.000 1.319 329 H CB 0.295 30.046 29.762 -0.018 0.000 1.379 329 H HN 0.032 nan 8.280 nan 0.000 0.501 330 K N 0.771 121.030 120.400 -0.234 0.000 2.063 330 K HA -0.133 4.189 4.320 0.004 0.000 0.208 330 K C 2.515 179.030 176.600 -0.143 0.000 1.048 330 K CA 0.807 56.937 56.287 -0.262 0.000 0.928 330 K CB -0.509 31.861 32.500 -0.217 0.000 0.713 330 K HN 0.386 nan 8.250 nan 0.000 0.442 331 L N 0.205 121.386 121.223 -0.070 0.000 2.109 331 L HA -0.094 4.249 4.340 0.004 0.000 0.207 331 L C 2.786 179.640 176.870 -0.027 0.000 1.086 331 L CA 0.960 55.779 54.840 -0.035 0.000 0.760 331 L CB -0.301 41.755 42.059 -0.005 0.000 0.910 331 L HN 0.170 nan 8.230 nan 0.000 0.437 332 R N 0.720 121.212 120.500 -0.013 0.000 2.081 332 R HA -0.160 4.182 4.340 0.004 0.000 0.235 332 R C 2.252 178.541 176.300 -0.018 0.000 1.131 332 R CA 1.458 57.561 56.100 0.005 0.000 0.960 332 R CB -0.211 30.117 30.300 0.047 0.000 0.856 332 R HN 0.280 nan 8.270 nan 0.000 0.436 333 I N 0.539 121.069 120.570 -0.067 0.000 2.179 333 I HA -0.227 3.945 4.170 0.004 0.000 0.242 333 I C 2.388 178.473 176.117 -0.053 0.000 1.088 333 I CA 1.432 62.685 61.300 -0.079 0.000 1.357 333 I CB -0.318 37.581 38.000 -0.168 0.000 1.051 333 I HN 0.273 nan 8.210 nan 0.000 0.409 334 E N 1.448 121.613 120.200 -0.059 0.000 2.077 334 E HA -0.198 4.154 4.350 0.004 0.000 0.193 334 E C 2.179 178.767 176.600 -0.019 0.000 0.989 334 E CA 1.355 57.733 56.400 -0.037 0.000 0.800 334 E CB -0.310 29.366 29.700 -0.040 0.000 0.746 334 E HN 0.369 nan 8.360 nan 0.000 0.452 335 L N 0.546 121.758 121.223 -0.017 0.000 2.043 335 L HA -0.178 4.164 4.340 0.004 0.000 0.212 335 L C 1.128 177.997 176.870 -0.002 0.000 1.075 335 L CA 1.209 56.044 54.840 -0.009 0.000 0.752 335 L CB -0.322 41.733 42.059 -0.006 0.000 0.891 335 L HN 0.176 nan 8.230 nan 0.000 0.432 336 N N 0.023 118.723 118.700 0.000 0.000 2.378 336 N HA 0.060 4.802 4.740 0.004 0.000 0.243 336 N C -0.065 175.455 175.510 0.017 0.000 1.137 336 N CA 0.112 53.168 53.050 0.010 0.000 0.862 336 N CB 0.456 38.951 38.487 0.013 0.000 1.116 336 N HN 0.272 nan 8.380 nan 0.000 0.499 337 S N -1.023 114.685 115.700 0.013 0.000 2.689 337 S HA 0.711 5.183 4.470 0.004 0.000 0.306 337 S C -0.023 174.597 174.600 0.033 0.000 1.104 337 S CA -0.901 57.309 58.200 0.017 0.000 0.973 337 S CB 2.345 65.543 63.200 -0.004 0.000 1.121 337 S HN 0.084 nan 8.310 nan 0.000 0.523 338 A N 2.506 125.349 122.820 0.038 0.000 3.094 338 A HA 0.311 4.633 4.320 0.004 0.000 0.288 338 A C 0.479 178.087 177.584 0.040 0.000 1.519 338 A CA -0.944 51.122 52.037 0.049 0.000 1.227 338 A CB -1.124 17.904 19.000 0.046 0.000 1.175 338 A HN 0.740 nan 8.150 nan 0.000 0.568 339 N N 1.597 120.323 118.700 0.043 0.000 2.739 339 N HA 0.232 4.974 4.740 0.004 0.000 0.266 339 N C -1.021 174.550 175.510 0.102 0.000 1.168 339 N CA 0.015 53.102 53.050 0.062 0.000 1.055 339 N CB 0.806 39.323 38.487 0.049 0.000 1.393 339 N HN 0.512 nan 8.380 nan 0.000 0.514 340 D N 0.664 121.143 120.400 0.132 0.000 2.671 340 D HA 0.434 5.077 4.640 0.004 0.000 0.273 340 D C -1.885 174.549 176.300 0.224 0.000 1.264 340 D CA -0.535 53.563 54.000 0.163 0.000 0.788 340 D CB 1.543 42.391 40.800 0.080 0.000 1.324 340 D HN 0.387 nan 8.370 nan 0.000 0.424 341 N N 0.119 118.967 118.700 0.248 0.000 2.516 341 N HA 0.446 5.188 4.740 0.004 0.000 0.268 341 N C -2.950 172.684 175.510 0.208 0.000 1.096 341 N CA -1.025 52.178 53.050 0.256 0.000 0.954 341 N CB 2.795 41.541 38.487 0.431 0.000 1.676 341 N HN 0.110 nan 8.380 nan 0.000 0.490 342 P HA 0.323 nan 4.420 nan 0.000 0.277 342 P C -0.909 176.416 177.300 0.042 0.000 1.271 342 P CA -0.387 62.680 63.100 -0.056 0.000 0.795 342 P CB 1.301 32.754 31.700 -0.412 0.000 1.101 343 L N -0.018 121.292 121.223 0.146 0.000 2.354 343 L HA 0.499 4.842 4.340 0.004 0.000 0.269 343 L C -0.120 176.756 176.870 0.010 0.000 1.005 343 L CA -0.992 53.883 54.840 0.059 0.000 0.819 343 L CB 1.651 43.742 42.059 0.054 0.000 1.311 343 L HN 0.304 nan 8.230 nan 0.000 0.423 344 F N 2.559 122.334 119.950 -0.292 0.000 2.420 344 F HA 0.618 5.147 4.527 0.004 0.000 0.342 344 F C -1.258 174.311 175.800 -0.385 0.000 1.113 344 F CA -0.554 57.337 58.000 -0.181 0.000 1.059 344 F CB 0.865 39.808 39.000 -0.094 0.000 1.128 344 F HN 0.098 nan 8.300 nan 0.000 0.475 345 F N 4.511 124.051 119.950 -0.683 0.000 2.539 345 F HA 0.249 4.778 4.527 0.003 0.000 0.328 345 F C 0.008 175.313 175.800 -0.824 0.000 1.148 345 F CA -0.982 56.751 58.000 -0.445 0.000 0.940 345 F CB 1.448 40.315 39.000 -0.222 0.000 1.194 345 F HN 0.474 nan 8.300 nan 0.000 0.438 346 E N 1.894 121.880 120.200 -0.356 0.000 2.529 346 E HA 0.268 4.620 4.350 0.004 0.000 0.259 346 E C 1.178 177.745 176.600 -0.055 0.000 0.966 346 E CA 1.258 57.585 56.400 -0.122 0.000 0.937 346 E CB 0.401 30.215 29.700 0.189 0.000 0.923 346 E HN 0.990 nan 8.360 nan 0.000 0.468 347 G N 3.784 112.567 108.800 -0.029 0.000 2.162 347 G HA2 -0.295 3.667 3.960 0.004 0.000 0.260 347 G HA3 -0.295 3.667 3.960 0.004 0.000 0.260 347 G C -0.054 174.837 174.900 -0.015 0.000 0.976 347 G CA 0.667 45.769 45.100 0.004 0.000 0.655 347 G HN 0.512 nan 8.290 nan 0.000 0.533 348 K N -0.156 120.213 120.400 -0.051 0.000 2.400 348 K HA 0.512 4.834 4.320 0.004 0.000 0.246 348 K C -0.121 176.491 176.600 0.020 0.000 0.995 348 K CA -1.080 55.202 56.287 -0.009 0.000 0.840 348 K CB 1.504 34.006 32.500 0.003 0.000 1.293 348 K HN 0.057 nan 8.250 nan 0.000 0.445 349 E N 1.291 121.531 120.200 0.067 0.000 2.422 349 E HA 0.047 4.399 4.350 0.004 0.000 0.260 349 E C 0.238 176.953 176.600 0.192 0.000 1.108 349 E CA -0.012 56.454 56.400 0.110 0.000 0.943 349 E CB 0.477 30.234 29.700 0.095 0.000 0.961 349 E HN 0.320 nan 8.360 nan 0.000 0.443 350 I N 2.627 123.351 120.570 0.257 0.000 2.668 350 I HA -0.103 4.069 4.170 0.004 0.000 0.285 350 I C 0.597 176.993 176.117 0.465 0.000 1.168 350 I CA 0.144 61.662 61.300 0.364 0.000 1.424 350 I CB -0.925 37.352 38.000 0.461 0.000 1.377 350 I HN 0.351 nan 8.210 nan 0.000 0.560 351 F N 7.645 127.764 119.950 0.282 0.000 2.472 351 F HA 0.167 4.695 4.527 0.003 0.000 0.364 351 F C 0.105 176.016 175.800 0.184 0.000 1.090 351 F CA -0.100 58.061 58.000 0.268 0.000 1.188 351 F CB 0.074 39.274 39.000 0.334 0.000 1.105 351 F HN 0.371 nan 8.300 nan 0.000 0.536 352 H N 5.065 123.802 119.070 -0.554 0.000 2.683 352 H HA 0.496 5.054 4.556 0.003 0.000 0.270 352 H C 0.446 175.313 175.328 -0.769 0.000 1.201 352 H CA -0.196 55.587 56.048 -0.441 0.000 1.277 352 H CB 0.743 30.392 29.762 -0.187 0.000 1.400 352 H HN 0.780 nan 8.280 nan 0.000 0.504 353 G N 0.484 108.814 108.800 -0.782 0.000 3.264 353 G HA2 0.586 4.548 3.960 0.004 0.000 0.168 353 G HA3 0.586 4.548 3.960 0.004 0.000 0.168 353 G C -0.609 174.151 174.900 -0.234 0.000 1.145 353 G CA -0.256 44.523 45.100 -0.535 0.000 0.855 353 G HN 0.488 nan 8.290 nan 0.000 0.629 354 A N -0.529 122.117 122.820 -0.289 0.000 2.843 354 A HA 0.389 4.711 4.320 0.004 0.000 0.248 354 A C 0.529 177.620 177.584 -0.822 0.000 0.904 354 A CA -0.311 51.179 52.037 -0.911 0.000 1.091 354 A CB -0.511 18.127 19.000 -0.604 0.000 1.208 354 A HN 0.489 nan 8.150 nan 0.000 0.476 355 N N 0.057 118.538 118.700 -0.365 0.000 2.609 355 N HA -0.040 4.703 4.740 0.004 0.000 0.190 355 N C 0.922 176.364 175.510 -0.114 0.000 1.157 355 N CA 1.020 53.982 53.050 -0.148 0.000 0.918 355 N CB -0.221 38.280 38.487 0.024 0.000 0.978 355 N HN 0.773 nan 8.380 nan 0.000 0.448 356 F N -1.344 118.663 119.950 0.094 0.000 2.776 356 F HA 0.220 4.749 4.527 0.003 0.000 0.300 356 F C 0.861 176.679 175.800 0.031 0.000 1.116 356 F CA -0.344 57.687 58.000 0.051 0.000 1.375 356 F CB -0.737 38.288 39.000 0.041 0.000 1.109 356 F HN 0.018 nan 8.300 nan 0.000 0.585 357 H N 1.955 120.945 119.070 -0.132 0.000 2.955 357 H HA 0.255 4.813 4.556 0.003 0.000 0.290 357 H C 1.142 176.451 175.328 -0.033 0.000 1.047 357 H CA 0.281 56.325 56.048 -0.006 0.000 1.484 357 H CB 1.446 31.118 29.762 -0.149 0.000 1.501 357 H HN 0.383 nan 8.280 nan 0.000 0.521 358 G N 3.793 112.582 108.800 -0.018 0.000 3.210 358 G HA2 -0.129 3.834 3.960 0.004 0.000 0.220 358 G HA3 -0.129 3.834 3.960 0.004 0.000 0.220 358 G C 1.329 176.207 174.900 -0.036 0.000 1.200 358 G CA -0.169 44.923 45.100 -0.014 0.000 0.834 358 G HN 0.516 nan 8.290 nan 0.000 0.524 359 Q N 1.484 121.320 119.800 0.060 0.000 2.077 359 Q HA -0.113 4.229 4.340 0.004 0.000 0.206 359 Q C 0.312 176.100 176.000 -0.353 0.000 0.989 359 Q CA 2.287 57.940 55.803 -0.249 0.000 0.853 359 Q CB -0.599 27.956 28.738 -0.304 0.000 0.907 359 Q HN 0.408 nan 8.270 nan 0.000 0.418 360 P HA -0.168 nan 4.420 nan 0.000 0.216 360 P C 0.858 178.127 177.300 -0.051 0.000 1.150 360 P CA 1.203 64.271 63.100 -0.053 0.000 0.837 360 P CB -0.041 31.642 31.700 -0.028 0.000 0.786 361 I N -0.226 120.299 120.570 -0.076 0.000 2.480 361 I HA -0.028 4.144 4.170 0.004 0.000 0.251 361 I C 2.584 178.649 176.117 -0.087 0.000 1.124 361 I CA 0.722 61.982 61.300 -0.065 0.000 1.444 361 I CB -1.951 36.020 38.000 -0.048 0.000 1.098 361 I HN -0.096 nan 8.210 nan 0.000 0.428 362 A N 1.186 123.933 122.820 -0.122 0.000 1.877 362 A HA -0.207 4.115 4.320 0.004 0.000 0.216 362 A C 2.146 179.664 177.584 -0.110 0.000 1.186 362 A CA 1.457 53.425 52.037 -0.114 0.000 0.620 362 A CB -0.850 18.061 19.000 -0.148 0.000 0.822 362 A HN 0.241 nan 8.150 nan 0.000 0.443 363 F N 0.177 119.952 119.950 -0.291 0.000 2.075 363 F HA -0.120 4.410 4.527 0.005 0.000 0.297 363 F C 2.929 177.980 175.800 -1.248 0.000 1.113 363 F CA 0.436 58.003 58.000 -0.722 0.000 1.218 363 F CB -1.340 37.386 39.000 -0.457 0.000 0.984 363 F HN 0.286 nan 8.300 nan 0.000 0.472 364 A N -0.109 122.478 122.820 -0.388 0.000 1.892 364 A HA -0.248 4.074 4.320 0.004 0.000 0.218 364 A C 2.217 179.732 177.584 -0.115 0.000 1.188 364 A CA 2.160 54.090 52.037 -0.179 0.000 0.631 364 A CB -0.655 18.340 19.000 -0.008 0.000 0.822 364 A HN 0.237 nan 8.150 nan 0.000 0.447 365 M N -0.563 118.977 119.600 -0.100 0.000 2.254 365 M HA -0.059 4.423 4.480 0.004 0.000 0.265 365 M C 1.363 177.661 176.300 -0.003 0.000 1.066 365 M CA 1.152 56.441 55.300 -0.019 0.000 1.123 365 M CB -1.555 31.040 32.600 -0.007 0.000 1.388 365 M HN 0.306 nan 8.290 nan 0.000 0.425 366 D N 0.080 120.436 120.400 -0.075 0.000 2.144 366 D HA -0.094 4.548 4.640 0.004 0.000 0.200 366 D C 1.801 178.215 176.300 0.190 0.000 0.978 366 D CA 1.025 55.043 54.000 0.030 0.000 0.833 366 D CB -0.077 40.739 40.800 0.026 0.000 0.961 366 D HN 0.202 nan 8.370 nan 0.000 0.470 367 F N 0.162 120.172 119.950 0.099 0.000 2.259 367 F HA -0.040 4.489 4.527 0.004 0.000 0.298 367 F C 2.432 178.266 175.800 0.057 0.000 1.088 367 F CA 0.095 58.135 58.000 0.065 0.000 1.358 367 F CB -1.170 37.878 39.000 0.081 0.000 1.040 367 F HN -0.131 nan 8.300 nan 0.000 0.505 368 V N -0.346 119.707 119.914 0.231 0.000 2.358 368 V HA -0.261 3.861 4.120 0.004 0.000 0.246 368 V C 2.288 178.448 176.094 0.111 0.000 1.047 368 V CA 2.268 64.655 62.300 0.144 0.000 1.035 368 V CB -1.185 30.702 31.823 0.107 0.000 0.658 368 V HN 0.334 nan 8.190 nan 0.000 0.452 369 T N 0.428 115.047 114.554 0.108 0.000 2.684 369 T HA -0.175 4.177 4.350 0.004 0.000 0.267 369 T C 1.812 176.563 174.700 0.085 0.000 1.036 369 T CA 1.938 64.090 62.100 0.087 0.000 1.148 369 T CB -0.286 68.632 68.868 0.084 0.000 0.863 369 T HN 0.348 nan 8.240 nan 0.000 0.436 370 I N 1.156 121.789 120.570 0.106 0.000 2.202 370 I HA -0.161 4.011 4.170 0.004 0.000 0.242 370 I C 2.945 179.097 176.117 0.057 0.000 1.091 370 I CA 1.118 62.467 61.300 0.081 0.000 1.368 370 I CB -0.517 37.538 38.000 0.092 0.000 1.058 370 I HN 0.192 nan 8.210 nan 0.000 0.410 371 A N 0.966 123.824 122.820 0.064 0.000 1.883 371 A HA -0.181 4.141 4.320 0.004 0.000 0.217 371 A C 2.299 179.901 177.584 0.031 0.000 1.186 371 A CA 1.530 53.588 52.037 0.034 0.000 0.624 371 A CB -0.943 18.078 19.000 0.035 0.000 0.822 371 A HN 0.398 nan 8.150 nan 0.000 0.444 372 L N -0.801 120.449 121.223 0.045 0.000 2.141 372 L HA -0.139 4.203 4.340 0.004 0.000 0.209 372 L C 2.723 179.617 176.870 0.041 0.000 1.094 372 L CA 1.574 56.439 54.840 0.042 0.000 0.763 372 L CB -0.863 41.226 42.059 0.050 0.000 0.908 372 L HN 0.365 nan 8.230 nan 0.000 0.437 373 T N -1.112 113.468 114.554 0.043 0.000 2.708 373 T HA -0.270 4.082 4.350 0.004 0.000 0.266 373 T C 1.836 176.556 174.700 0.034 0.000 1.037 373 T CA 1.487 63.611 62.100 0.040 0.000 1.146 373 T CB -0.125 68.767 68.868 0.041 0.000 0.865 373 T HN 0.194 nan 8.240 nan 0.000 0.435 374 Q N 0.566 120.383 119.800 0.028 0.000 2.167 374 Q HA 0.000 4.342 4.340 0.004 0.000 0.202 374 Q C 2.048 178.061 176.000 0.023 0.000 0.970 374 Q CA 0.962 56.778 55.803 0.022 0.000 0.855 374 Q CB -0.619 28.125 28.738 0.011 0.000 0.911 374 Q HN 0.425 nan 8.270 nan 0.000 0.438 375 L N -0.523 120.714 121.223 0.023 0.000 2.083 375 L HA 0.009 4.352 4.340 0.004 0.000 0.209 375 L C 1.971 178.860 176.870 0.032 0.000 1.083 375 L CA 2.350 57.205 54.840 0.025 0.000 0.752 375 L CB -0.959 41.116 42.059 0.027 0.000 0.899 375 L HN 0.305 nan 8.230 nan 0.000 0.433 376 G N -1.634 107.188 108.800 0.037 0.000 2.421 376 G HA2 -0.124 3.838 3.960 0.004 0.000 0.217 376 G HA3 -0.124 3.838 3.960 0.004 0.000 0.217 376 G C 1.520 176.443 174.900 0.039 0.000 1.143 376 G CA 0.775 45.900 45.100 0.041 0.000 0.784 376 G HN 0.304 nan 8.290 nan 0.000 0.541 377 V N 0.767 120.702 119.914 0.036 0.000 2.295 377 V HA -0.147 3.975 4.120 0.004 0.000 0.246 377 V C 2.672 178.787 176.094 0.035 0.000 1.049 377 V CA 1.718 64.039 62.300 0.036 0.000 1.024 377 V CB -0.391 31.452 31.823 0.033 0.000 0.648 377 V HN 0.379 nan 8.190 nan 0.000 0.447 378 L N 0.923 122.166 121.223 0.033 0.000 2.017 378 L HA -0.063 4.279 4.340 0.004 0.000 0.208 378 L C 2.449 179.335 176.870 0.027 0.000 1.073 378 L CA 2.436 57.296 54.840 0.033 0.000 0.745 378 L CB -1.086 40.992 42.059 0.031 0.000 0.894 378 L HN 0.215 nan 8.230 nan 0.000 0.432 379 A N -0.886 121.950 122.820 0.026 0.000 1.908 379 A HA -0.237 4.085 4.320 0.004 0.000 0.218 379 A C 2.333 179.929 177.584 0.020 0.000 1.181 379 A CA 1.810 53.858 52.037 0.019 0.000 0.627 379 A CB -0.748 18.270 19.000 0.031 0.000 0.818 379 A HN 0.583 nan 8.150 nan 0.000 0.445 380 E N -0.200 120.018 120.200 0.031 0.000 2.106 380 E HA -0.163 4.189 4.350 0.004 0.000 0.192 380 E C 2.024 178.641 176.600 0.029 0.000 0.984 380 E CA 0.669 57.090 56.400 0.035 0.000 0.806 380 E CB -0.191 29.536 29.700 0.045 0.000 0.750 380 E HN 0.358 nan 8.360 nan 0.000 0.458 381 R N 0.376 120.892 120.500 0.026 0.000 2.148 381 R HA -0.026 4.316 4.340 0.004 0.000 0.223 381 R C 2.282 178.585 176.300 0.006 0.000 1.088 381 R CA 0.712 56.824 56.100 0.020 0.000 0.985 381 R CB -0.276 30.038 30.300 0.024 0.000 0.880 381 R HN 0.401 nan 8.270 nan 0.000 0.451 382 Q N -0.082 119.719 119.800 0.002 0.000 2.123 382 Q HA -0.005 4.338 4.340 0.004 0.000 0.199 382 Q C 2.154 178.136 176.000 -0.030 0.000 0.966 382 Q CA 0.961 56.755 55.803 -0.015 0.000 0.845 382 Q CB -0.029 28.697 28.738 -0.021 0.000 0.907 382 Q HN 0.298 nan 8.270 nan 0.000 0.439 383 I N 1.086 121.645 120.570 -0.019 0.000 2.226 383 I HA -0.272 3.900 4.170 0.004 0.000 0.245 383 I C 2.164 178.269 176.117 -0.019 0.000 1.100 383 I CA 1.034 62.322 61.300 -0.021 0.000 1.374 383 I CB -0.278 37.728 38.000 0.010 0.000 1.057 383 I HN 0.243 nan 8.210 nan 0.000 0.413 384 N N 1.130 119.829 118.700 -0.001 0.000 2.104 384 N HA -0.197 4.545 4.740 0.004 0.000 0.190 384 N C 1.986 177.472 175.510 -0.041 0.000 1.024 384 N CA 1.451 54.500 53.050 -0.001 0.000 0.853 384 N CB -0.028 38.471 38.487 0.019 0.000 1.008 384 N HN 0.119 nan 8.380 nan 0.000 0.424 385 R N -0.353 120.120 120.500 -0.044 0.000 2.083 385 R HA -0.091 4.251 4.340 0.004 0.000 0.237 385 R C 1.944 178.190 176.300 -0.090 0.000 1.137 385 R CA 1.374 57.437 56.100 -0.062 0.000 0.951 385 R CB -0.797 29.473 30.300 -0.051 0.000 0.851 385 R HN 0.207 nan 8.270 nan 0.000 0.434 386 V N 1.041 120.899 119.914 -0.093 0.000 3.129 386 V HA -0.035 4.087 4.120 0.004 0.000 0.259 386 V C 1.786 177.784 176.094 -0.160 0.000 1.116 386 V CA 1.034 63.264 62.300 -0.117 0.000 1.127 386 V CB 0.014 31.764 31.823 -0.121 0.000 0.742 386 V HN 0.255 nan 8.190 nan 0.000 0.474 387 L N 0.004 121.126 121.223 -0.167 0.000 2.477 387 L HA 0.215 4.557 4.340 0.004 0.000 0.220 387 L C 0.855 177.403 176.870 -0.537 0.000 1.106 387 L CA 0.184 54.878 54.840 -0.244 0.000 0.851 387 L CB -0.213 41.811 42.059 -0.057 0.000 0.994 387 L HN 0.309 nan 8.230 nan 0.000 0.462 388 N N 1.155 119.629 118.700 -0.377 0.000 2.439 388 N HA 0.059 4.801 4.740 0.004 0.000 0.249 388 N C 1.204 176.511 175.510 -0.338 0.000 1.003 388 N CA -0.224 52.579 53.050 -0.413 0.000 0.942 388 N CB 1.104 39.466 38.487 -0.209 0.000 1.115 388 N HN 0.177 nan 8.380 nan 0.000 0.505 389 R N 3.109 123.336 120.500 -0.454 0.000 2.139 389 R HA -0.160 4.182 4.340 0.004 0.000 0.243 389 R C 0.601 176.762 176.300 -0.232 0.000 1.145 389 R CA 1.609 57.499 56.100 -0.350 0.000 0.976 389 R CB -0.620 29.441 30.300 -0.398 0.000 0.866 389 R HN 0.644 nan 8.270 nan 0.000 0.449 390 H N -0.084 118.928 119.070 -0.097 0.000 2.546 390 H HA 0.119 4.677 4.556 0.004 0.000 0.277 390 H C 1.591 176.878 175.328 -0.070 0.000 1.004 390 H CA 0.989 57.003 56.048 -0.056 0.000 1.231 390 H CB 0.228 29.967 29.762 -0.038 0.000 1.382 390 H HN 0.182 nan 8.280 nan 0.000 0.580 391 L N -0.426 120.793 121.223 -0.006 0.000 2.547 391 L HA 0.117 4.459 4.340 0.004 0.000 0.218 391 L C 0.903 177.733 176.870 -0.067 0.000 1.048 391 L CA -0.183 54.621 54.840 -0.060 0.000 0.859 391 L CB 0.179 42.197 42.059 -0.068 0.000 1.128 391 L HN 0.059 nan 8.230 nan 0.000 0.483 392 S N -0.426 115.232 115.700 -0.070 0.000 2.564 392 S HA 0.098 4.570 4.470 0.004 0.000 0.278 392 S C -0.600 174.014 174.600 0.025 0.000 1.333 392 S CA -0.330 57.844 58.200 -0.044 0.000 1.048 392 S CB 0.415 63.559 63.200 -0.094 0.000 0.900 392 S HN 0.164 nan 8.310 nan 0.000 0.505 393 Y N 3.018 123.272 120.300 -0.077 0.000 2.504 393 Y HA 0.441 4.993 4.550 0.004 0.000 0.351 393 Y C 1.187 177.061 175.900 -0.043 0.000 0.988 393 Y CA 0.021 58.091 58.100 -0.050 0.000 1.239 393 Y CB -0.348 38.090 38.460 -0.037 0.000 1.128 393 Y HN 1.268 nan 8.280 nan 0.000 0.525 394 G N 5.827 114.395 108.800 -0.388 0.000 2.272 394 G HA2 -0.229 3.734 3.960 0.004 0.000 0.280 394 G HA3 -0.229 3.734 3.960 0.004 0.000 0.280 394 G C -0.870 173.910 174.900 -0.200 0.000 1.067 394 G CA 0.322 45.197 45.100 -0.374 0.000 0.902 394 G HN 0.655 nan 8.290 nan 0.000 0.500 395 L N 0.418 121.554 121.223 -0.146 0.000 2.408 395 L HA 0.565 4.907 4.340 0.004 0.000 0.268 395 L C -1.715 175.085 176.870 -0.116 0.000 0.986 395 L CA -2.368 52.402 54.840 -0.117 0.000 0.820 395 L CB 2.580 44.573 42.059 -0.110 0.000 1.303 395 L HN 0.009 nan 8.230 nan 0.000 0.411 396 P HA 0.058 nan 4.420 nan 0.000 0.272 396 P C -0.973 176.260 177.300 -0.112 0.000 1.240 396 P CA -0.468 62.585 63.100 -0.079 0.000 0.791 396 P CB 0.425 32.104 31.700 -0.035 0.000 0.978 397 E N 1.412 121.544 120.200 -0.113 0.000 2.465 397 E HA -0.093 4.259 4.350 0.004 0.000 0.260 397 E C -0.211 176.357 176.600 -0.054 0.000 0.980 397 E CA -0.214 56.058 56.400 -0.214 0.000 0.927 397 E CB -0.402 29.259 29.700 -0.065 0.000 0.934 397 E HN 0.437 nan 8.360 nan 0.000 0.459 398 F N 1.274 121.211 119.950 -0.022 0.000 3.105 398 F HA -0.274 4.255 4.527 0.003 0.000 0.280 398 F C 0.889 176.720 175.800 0.051 0.000 0.894 398 F CA 0.804 58.812 58.000 0.014 0.000 0.992 398 F CB -1.926 37.093 39.000 0.031 0.000 1.047 398 F HN 0.574 nan 8.300 nan 0.000 0.607 399 L N -2.493 118.763 121.223 0.055 0.000 3.737 399 L HA -0.279 4.063 4.340 0.004 0.000 0.418 399 L C 0.163 177.114 176.870 0.134 0.000 1.216 399 L CA 0.025 54.885 54.840 0.033 0.000 0.915 399 L CB -1.960 40.036 42.059 -0.104 0.000 1.834 399 L HN 0.103 nan 8.230 nan 0.000 0.943 400 V N 0.032 120.029 119.914 0.139 0.000 2.508 400 V HA 0.057 4.179 4.120 0.004 0.000 0.281 400 V C 1.607 177.734 176.094 0.055 0.000 1.041 400 V CA 0.928 63.304 62.300 0.127 0.000 1.016 400 V CB 1.590 33.497 31.823 0.140 0.000 0.984 400 V HN 0.411 nan 8.190 nan 0.000 0.478 401 S N 3.389 119.104 115.700 0.024 0.000 2.377 401 S HA 0.028 4.501 4.470 0.004 0.000 0.223 401 S C 1.369 175.943 174.600 -0.044 0.000 1.030 401 S CA 1.009 59.203 58.200 -0.010 0.000 0.970 401 S CB 0.024 63.215 63.200 -0.015 0.000 0.830 401 S HN 0.950 nan 8.310 nan 0.000 0.473 402 G N 1.480 110.218 108.800 -0.104 0.000 3.329 402 G HA2 0.227 4.189 3.960 0.004 0.000 0.180 402 G HA3 0.227 4.189 3.960 0.004 0.000 0.180 402 G C -0.928 173.957 174.900 -0.025 0.000 1.640 402 G CA -0.439 44.597 45.100 -0.105 0.000 1.018 402 G HN 0.188 nan 8.290 nan 0.000 0.581 403 D N 2.622 123.035 120.400 0.022 0.000 2.336 403 D HA 0.261 4.903 4.640 0.004 0.000 0.249 403 D C -1.884 174.506 176.300 0.150 0.000 1.213 403 D CA -0.748 53.309 54.000 0.094 0.000 0.870 403 D CB 1.480 42.350 40.800 0.117 0.000 1.076 403 D HN 0.048 nan 8.370 nan 0.000 0.483 404 P HA 0.050 nan 4.420 nan 0.000 0.271 404 P C 0.993 178.356 177.300 0.105 0.000 1.244 404 P CA 0.155 63.332 63.100 0.128 0.000 0.793 404 P CB 1.101 32.871 31.700 0.116 0.000 0.984 405 G N 0.587 109.437 108.800 0.085 0.000 4.039 405 G HA2 -0.368 3.594 3.960 0.004 0.000 0.220 405 G HA3 -0.368 3.594 3.960 0.004 0.000 0.220 405 G C 0.845 175.756 174.900 0.018 0.000 1.391 405 G CA 0.461 45.587 45.100 0.043 0.000 0.920 405 G HN 0.581 nan 8.290 nan 0.000 0.599 406 L N 1.897 123.141 121.223 0.035 0.000 2.083 406 L HA 0.316 4.658 4.340 0.004 0.000 0.209 406 L C 1.060 177.818 176.870 -0.187 0.000 1.083 406 L CA 2.093 56.907 54.840 -0.043 0.000 0.752 406 L CB -0.493 41.584 42.059 0.030 0.000 0.899 406 L HN 0.599 nan 8.230 nan 0.000 0.433 407 H N -2.234 116.845 119.070 0.014 0.000 2.524 407 H HA 0.433 4.991 4.556 0.004 0.000 0.353 407 H C 0.824 176.159 175.328 0.011 0.000 1.136 407 H CA -0.008 56.047 56.048 0.012 0.000 1.193 407 H CB 1.711 31.489 29.762 0.026 0.000 1.558 407 H HN -0.158 nan 8.280 nan 0.000 0.515 408 S N 1.349 117.100 115.700 0.085 0.000 2.511 408 S HA 0.201 4.673 4.470 0.004 0.000 0.214 408 S C 1.502 176.142 174.600 0.068 0.000 0.997 408 S CA 0.315 58.520 58.200 0.009 0.000 0.908 408 S CB 0.277 63.428 63.200 -0.082 0.000 0.803 408 S HN 1.084 nan 8.310 nan 0.000 0.504 409 G N 2.119 110.993 108.800 0.122 0.000 2.602 409 G HA2 -0.336 3.626 3.960 0.004 0.000 0.310 409 G HA3 -0.336 3.626 3.960 0.004 0.000 0.310 409 G C 0.302 175.262 174.900 0.099 0.000 1.183 409 G CA 0.670 45.880 45.100 0.183 0.000 0.979 409 G HN 0.426 nan 8.290 nan 0.000 0.545 410 F N 3.156 123.138 119.950 0.052 0.000 2.693 410 F HA 0.547 5.076 4.527 0.003 0.000 0.303 410 F C 2.565 178.329 175.800 -0.060 0.000 1.097 410 F CA 0.975 58.978 58.000 0.006 0.000 1.330 410 F CB 0.029 39.046 39.000 0.029 0.000 1.067 410 F HN 0.598 nan 8.300 nan 0.000 0.565 411 A N 0.380 123.209 122.820 0.015 0.000 1.917 411 A HA -0.170 4.152 4.320 0.004 0.000 0.219 411 A C 2.597 179.848 177.584 -0.554 0.000 1.182 411 A CA 2.105 53.960 52.037 -0.303 0.000 0.633 411 A CB -1.351 17.275 19.000 -0.623 0.000 0.819 411 A HN 0.408 nan 8.150 nan 0.000 0.448 412 G N -1.238 107.343 108.800 -0.365 0.000 2.448 412 G HA2 0.151 4.114 3.960 0.004 0.000 0.218 412 G HA3 0.151 4.114 3.960 0.004 0.000 0.218 412 G C 1.532 176.240 174.900 -0.320 0.000 1.135 412 G CA 1.078 45.980 45.100 -0.330 0.000 0.784 412 G HN 0.819 nan 8.290 nan 0.000 0.543 413 A N 0.168 122.839 122.820 -0.249 0.000 2.119 413 A HA 0.057 4.379 4.320 0.004 0.000 0.217 413 A C 2.141 179.671 177.584 -0.089 0.000 1.153 413 A CA 1.627 53.583 52.037 -0.135 0.000 0.692 413 A CB -0.265 18.672 19.000 -0.104 0.000 0.799 413 A HN 0.474 nan 8.150 nan 0.000 0.458 414 Q N -1.342 118.330 119.800 -0.214 0.000 2.172 414 Q HA -0.196 4.146 4.340 0.004 0.000 0.200 414 Q C 1.471 177.437 176.000 -0.056 0.000 0.964 414 Q CA 1.500 57.226 55.803 -0.128 0.000 0.855 414 Q CB -0.287 28.364 28.738 -0.145 0.000 0.918 414 Q HN 0.681 nan 8.270 nan 0.000 0.444 415 Y N 1.145 121.466 120.300 0.036 0.000 2.114 415 Y HA -0.165 4.387 4.550 0.003 0.000 0.282 415 Y C -0.493 175.417 175.900 0.016 0.000 1.165 415 Y CA 1.153 59.263 58.100 0.018 0.000 1.148 415 Y CB -2.016 36.441 38.460 -0.006 0.000 0.972 415 Y HN 0.345 nan 8.280 nan 0.000 0.504 416 P HA -0.128 nan 4.420 nan 0.000 0.218 416 P C 1.281 178.629 177.300 0.081 0.000 1.149 416 P CA 2.083 65.238 63.100 0.092 0.000 0.817 416 P CB -0.062 31.671 31.700 0.054 0.000 0.785 417 A N 0.122 122.990 122.820 0.080 0.000 1.872 417 A HA -0.100 4.222 4.320 0.004 0.000 0.214 417 A C 2.370 180.000 177.584 0.077 0.000 1.187 417 A CA 2.228 54.308 52.037 0.072 0.000 0.614 417 A CB -1.831 17.209 19.000 0.066 0.000 0.826 417 A HN 0.161 nan 8.150 nan 0.000 0.442 418 T N 0.556 115.170 114.554 0.099 0.000 2.684 418 T HA -0.069 4.283 4.350 0.004 0.000 0.267 418 T C 2.194 176.943 174.700 0.083 0.000 1.036 418 T CA 1.692 63.853 62.100 0.101 0.000 1.148 418 T CB -0.484 68.473 68.868 0.147 0.000 0.863 418 T HN 0.586 nan 8.240 nan 0.000 0.436 419 A N 0.973 123.845 122.820 0.087 0.000 1.972 419 A HA 0.044 4.367 4.320 0.004 0.000 0.219 419 A C 2.283 179.897 177.584 0.049 0.000 1.169 419 A CA 1.094 53.167 52.037 0.061 0.000 0.635 419 A CB -0.770 18.265 19.000 0.058 0.000 0.810 419 A HN 0.483 nan 8.150 nan 0.000 0.446 420 L N -0.690 120.565 121.223 0.053 0.000 2.217 420 L HA -0.110 4.232 4.340 0.004 0.000 0.211 420 L C 2.437 179.333 176.870 0.044 0.000 1.107 420 L CA 0.598 55.465 54.840 0.046 0.000 0.783 420 L CB -0.313 41.775 42.059 0.048 0.000 0.919 420 L HN 0.254 nan 8.230 nan 0.000 0.442 421 V N 0.037 119.979 119.914 0.047 0.000 2.307 421 V HA -0.276 3.846 4.120 0.004 0.000 0.245 421 V C 2.747 178.865 176.094 0.039 0.000 1.045 421 V CA 1.805 64.131 62.300 0.043 0.000 1.024 421 V CB -0.816 31.035 31.823 0.045 0.000 0.651 421 V HN 0.477 nan 8.190 nan 0.000 0.449 422 A N -0.331 122.512 122.820 0.038 0.000 1.908 422 A HA -0.297 4.025 4.320 0.004 0.000 0.218 422 A C 2.259 179.860 177.584 0.029 0.000 1.181 422 A CA 2.173 54.229 52.037 0.032 0.000 0.627 422 A CB -0.540 18.478 19.000 0.030 0.000 0.818 422 A HN 0.633 nan 8.150 nan 0.000 0.445 423 E N -0.095 120.123 120.200 0.030 0.000 2.051 423 E HA -0.215 4.138 4.350 0.004 0.000 0.192 423 E C 1.729 178.348 176.600 0.030 0.000 0.991 423 E CA 1.347 57.764 56.400 0.028 0.000 0.799 423 E CB -0.129 29.587 29.700 0.028 0.000 0.748 423 E HN 0.556 nan 8.360 nan 0.000 0.449 424 N N 0.506 119.227 118.700 0.034 0.000 2.223 424 N HA -0.136 4.606 4.740 0.004 0.000 0.185 424 N C 1.552 177.084 175.510 0.036 0.000 1.016 424 N CA 0.881 53.953 53.050 0.037 0.000 0.863 424 N CB -0.188 38.322 38.487 0.040 0.000 0.983 424 N HN 0.173 nan 8.380 nan 0.000 0.429 425 R N -0.038 120.483 120.500 0.034 0.000 2.280 425 R HA -0.000 4.342 4.340 0.004 0.000 0.207 425 R C 1.564 177.882 176.300 0.031 0.000 1.043 425 R CA 1.200 57.319 56.100 0.032 0.000 1.006 425 R CB -0.127 30.191 30.300 0.029 0.000 0.885 425 R HN 0.356 nan 8.270 nan 0.000 0.467 426 T N -2.018 112.554 114.554 0.029 0.000 3.129 426 T HA 0.185 4.537 4.350 0.004 0.000 0.251 426 T C 0.748 175.466 174.700 0.029 0.000 1.117 426 T CA 0.051 62.167 62.100 0.027 0.000 1.034 426 T CB -0.032 68.850 68.868 0.022 0.000 0.968 426 T HN -0.015 nan 8.240 nan 0.000 0.526 427 I N 2.539 123.130 120.570 0.034 0.000 2.301 427 I HA 0.481 4.653 4.170 0.004 0.000 0.292 427 I C 1.028 177.172 176.117 0.045 0.000 1.046 427 I CA -0.784 60.539 61.300 0.038 0.000 1.282 427 I CB 0.766 38.791 38.000 0.041 0.000 1.409 427 I HN 0.221 nan 8.210 nan 0.000 0.484 428 G N 6.638 115.465 108.800 0.045 0.000 2.462 428 G HA2 0.582 4.545 3.960 0.004 0.000 0.319 428 G HA3 0.582 4.545 3.960 0.004 0.000 0.319 428 G C -2.693 172.245 174.900 0.064 0.000 1.171 428 G CA -1.378 43.754 45.100 0.053 0.000 0.920 428 G HN 0.312 nan 8.290 nan 0.000 0.499 429 P HA 0.259 nan 4.420 nan 0.000 0.266 429 P C 0.311 177.663 177.300 0.087 0.000 1.195 429 P CA 0.146 63.304 63.100 0.097 0.000 0.768 429 P CB 1.450 33.225 31.700 0.124 0.000 0.838 430 A N 1.980 124.850 122.820 0.082 0.000 2.167 430 A HA 0.000 4.322 4.320 0.004 0.000 0.208 430 A C 1.894 179.525 177.584 0.078 0.000 1.198 430 A CA 0.829 52.907 52.037 0.068 0.000 0.863 430 A CB -0.975 18.055 19.000 0.050 0.000 0.904 430 A HN 0.518 nan 8.150 nan 0.000 0.484 431 S N 0.413 116.176 115.700 0.106 0.000 2.500 431 S HA -0.132 4.341 4.470 0.004 0.000 0.239 431 S C 1.478 176.179 174.600 0.169 0.000 0.989 431 S CA 1.819 60.092 58.200 0.121 0.000 0.951 431 S CB -0.928 62.407 63.200 0.223 0.000 0.759 431 S HN 0.720 nan 8.310 nan 0.000 0.523 432 T N -2.787 111.870 114.554 0.171 0.000 3.054 432 T HA 0.267 4.619 4.350 0.004 0.000 0.255 432 T C 1.000 175.765 174.700 0.107 0.000 1.035 432 T CA -0.374 61.824 62.100 0.163 0.000 0.941 432 T CB 0.042 69.008 68.868 0.163 0.000 1.026 432 T HN 0.165 nan 8.240 nan 0.000 0.533 433 Q N 2.106 121.958 119.800 0.086 0.000 2.239 433 Q HA 0.308 4.650 4.340 0.004 0.000 0.219 433 Q C 0.515 176.549 176.000 0.056 0.000 0.901 433 Q CA -0.058 55.784 55.803 0.065 0.000 0.949 433 Q CB 0.063 28.834 28.738 0.054 0.000 1.038 433 Q HN 0.538 nan 8.270 nan 0.000 0.458 434 S N 0.149 115.887 115.700 0.063 0.000 2.558 434 S HA 0.144 4.616 4.470 0.004 0.000 0.291 434 S C -0.033 174.597 174.600 0.051 0.000 1.306 434 S CA -0.174 58.061 58.200 0.058 0.000 1.056 434 S CB 0.408 63.653 63.200 0.075 0.000 0.836 434 S HN 0.114 nan 8.310 nan 0.000 0.504 435 V N 7.695 127.635 119.914 0.044 0.000 2.577 435 V HA 0.482 4.604 4.120 0.004 0.000 0.303 435 V C -2.061 174.058 176.094 0.041 0.000 1.042 435 V CA -1.589 60.734 62.300 0.039 0.000 0.872 435 V CB 1.963 33.805 31.823 0.032 0.000 0.998 435 V HN 0.871 nan 8.190 nan 0.000 0.423 436 P HA 0.338 nan 4.420 nan 0.000 0.271 436 P C -0.546 176.777 177.300 0.039 0.000 1.216 436 P CA 0.208 63.335 63.100 0.045 0.000 0.771 436 P CB 1.419 33.146 31.700 0.044 0.000 0.864 437 S N 1.056 116.782 115.700 0.042 0.000 2.776 437 S HA 0.426 4.899 4.470 0.004 0.000 0.292 437 S C -0.223 174.406 174.600 0.047 0.000 1.187 437 S CA -0.730 57.493 58.200 0.039 0.000 0.834 437 S CB 0.572 63.791 63.200 0.031 0.000 1.199 437 S HN 0.450 nan 8.310 nan 0.000 0.514 438 N N 0.180 118.908 118.700 0.047 0.000 2.708 438 N HA -0.089 4.654 4.740 0.004 0.000 0.255 438 N C 0.691 176.244 175.510 0.072 0.000 1.046 438 N CA 1.935 55.022 53.050 0.062 0.000 0.715 438 N CB -1.503 37.026 38.487 0.070 0.000 0.895 438 N HN 2.246 nan 8.380 nan 0.000 0.545 439 G N 1.093 109.932 108.800 0.066 0.000 2.283 439 G HA2 -0.300 3.662 3.960 0.004 0.000 0.280 439 G HA3 -0.300 3.662 3.960 0.004 0.000 0.280 439 G C 0.392 175.331 174.900 0.065 0.000 1.029 439 G CA 0.567 45.709 45.100 0.070 0.000 0.840 439 G HN 0.832 nan 8.290 nan 0.000 0.505 440 D N -2.128 118.307 120.400 0.057 0.000 3.079 440 D HA -0.225 4.417 4.640 0.004 0.000 0.214 440 D C 1.288 177.625 176.300 0.061 0.000 1.145 440 D CA 1.503 55.536 54.000 0.054 0.000 0.958 440 D CB -1.214 39.614 40.800 0.047 0.000 1.117 440 D HN 0.684 nan 8.370 nan 0.000 0.416 441 N N 0.648 119.389 118.700 0.068 0.000 2.171 441 N HA -0.128 4.614 4.740 0.004 0.000 0.184 441 N C 0.630 176.183 175.510 0.071 0.000 1.021 441 N CA 1.240 54.331 53.050 0.069 0.000 0.854 441 N CB 0.177 38.708 38.487 0.073 0.000 0.994 441 N HN 0.270 nan 8.380 nan 0.000 0.426 442 Q N 0.620 120.461 119.800 0.068 0.000 3.091 442 Q HA 0.054 4.396 4.340 0.004 0.000 0.301 442 Q C -0.491 175.556 176.000 0.079 0.000 1.337 442 Q CA -0.187 55.662 55.803 0.076 0.000 1.083 442 Q CB 0.543 29.312 28.738 0.051 0.000 1.477 442 Q HN 0.545 nan 8.270 nan 0.000 0.537 443 D N -0.955 119.496 120.400 0.084 0.000 2.363 443 D HA -0.034 4.608 4.640 0.004 0.000 0.220 443 D C 0.300 176.652 176.300 0.086 0.000 0.994 443 D CA 0.251 54.296 54.000 0.074 0.000 0.890 443 D CB 0.435 41.272 40.800 0.062 0.000 0.906 443 D HN 0.043 nan 8.370 nan 0.000 0.530 444 V N 1.382 121.370 119.914 0.122 0.000 2.559 444 V HA 0.319 4.441 4.120 0.004 0.000 0.289 444 V C -0.123 176.132 176.094 0.269 0.000 1.036 444 V CA -0.966 61.426 62.300 0.155 0.000 0.887 444 V CB 1.834 33.733 31.823 0.126 0.000 1.022 444 V HN 0.172 nan 8.190 nan 0.000 0.442 445 V N 2.132 122.144 119.914 0.163 0.000 3.166 445 V HA 0.806 4.928 4.120 0.004 0.000 0.317 445 V C 0.951 177.061 176.094 0.027 0.000 1.136 445 V CA 0.295 62.616 62.300 0.034 0.000 1.035 445 V CB 2.022 33.830 31.823 -0.025 0.000 1.110 445 V HN 0.779 nan 8.190 nan 0.000 0.450 446 S N -0.480 115.145 115.700 -0.125 0.000 2.506 446 S HA 0.119 4.591 4.470 0.004 0.000 0.219 446 S C 1.130 175.703 174.600 -0.044 0.000 1.031 446 S CA 0.604 58.768 58.200 -0.061 0.000 0.911 446 S CB -0.240 62.892 63.200 -0.114 0.000 0.812 446 S HN 1.056 nan 8.310 nan 0.000 0.497 447 M N 0.804 120.380 119.600 -0.040 0.000 2.682 447 M HA -0.164 4.319 4.480 0.004 0.000 0.196 447 M C 1.122 177.417 176.300 -0.007 0.000 0.542 447 M CA 0.831 56.125 55.300 -0.009 0.000 0.593 447 M CB -2.644 29.964 32.600 0.014 0.000 2.183 447 M HN 0.571 nan 8.290 nan 0.000 0.663 448 G N 0.092 108.875 108.800 -0.030 0.000 2.450 448 G HA2 -0.113 3.849 3.960 0.004 0.000 0.220 448 G HA3 -0.113 3.849 3.960 0.004 0.000 0.220 448 G C 1.302 176.205 174.900 0.005 0.000 1.130 448 G CA 1.065 46.150 45.100 -0.025 0.000 0.760 448 G HN 0.477 nan 8.290 nan 0.000 0.557 449 L N 0.614 121.850 121.223 0.022 0.000 2.217 449 L HA 0.207 4.549 4.340 0.004 0.000 0.211 449 L C 2.548 179.462 176.870 0.073 0.000 1.107 449 L CA 0.968 55.844 54.840 0.060 0.000 0.783 449 L CB -0.253 41.861 42.059 0.091 0.000 0.919 449 L HN 0.274 nan 8.230 nan 0.000 0.442 450 I N -1.693 118.907 120.570 0.049 0.000 2.286 450 I HA -0.231 3.942 4.170 0.004 0.000 0.245 450 I C 2.313 178.457 176.117 0.045 0.000 1.104 450 I CA 1.000 62.327 61.300 0.045 0.000 1.397 450 I CB -0.416 37.604 38.000 0.033 0.000 1.072 450 I HN 0.134 nan 8.210 nan 0.000 0.417 451 S N 1.054 116.776 115.700 0.036 0.000 2.359 451 S HA -0.198 4.274 4.470 0.004 0.000 0.224 451 S C 2.288 176.912 174.600 0.039 0.000 1.035 451 S CA 1.490 59.711 58.200 0.034 0.000 1.018 451 S CB -0.406 62.802 63.200 0.012 0.000 0.876 451 S HN 0.545 nan 8.310 nan 0.000 0.448 452 A N 1.763 124.608 122.820 0.040 0.000 1.902 452 A HA -0.099 4.224 4.320 0.004 0.000 0.217 452 A C 2.148 179.776 177.584 0.073 0.000 1.181 452 A CA 1.245 53.312 52.037 0.049 0.000 0.623 452 A CB -0.427 18.598 19.000 0.042 0.000 0.818 452 A HN 0.408 nan 8.150 nan 0.000 0.443 453 R N -0.634 119.920 120.500 0.090 0.000 2.148 453 R HA -0.051 4.291 4.340 0.004 0.000 0.223 453 R C 1.670 178.009 176.300 0.065 0.000 1.088 453 R CA 1.038 57.196 56.100 0.096 0.000 0.985 453 R CB -0.265 30.090 30.300 0.093 0.000 0.880 453 R HN 0.481 nan 8.270 nan 0.000 0.451 454 N N 1.146 119.879 118.700 0.056 0.000 2.106 454 N HA -0.116 4.626 4.740 0.004 0.000 0.188 454 N C 1.679 177.221 175.510 0.054 0.000 1.029 454 N CA 1.586 54.666 53.050 0.050 0.000 0.848 454 N CB -0.359 38.159 38.487 0.051 0.000 1.007 454 N HN 0.172 nan 8.380 nan 0.000 0.423 455 A N 1.196 124.051 122.820 0.057 0.000 1.902 455 A HA -0.156 4.166 4.320 0.004 0.000 0.217 455 A C 2.240 179.859 177.584 0.058 0.000 1.181 455 A CA 1.446 53.519 52.037 0.059 0.000 0.623 455 A CB -0.527 18.508 19.000 0.059 0.000 0.818 455 A HN 0.287 nan 8.150 nan 0.000 0.443 456 R N -0.452 120.085 120.500 0.061 0.000 2.081 456 R HA -0.159 4.183 4.340 0.004 0.000 0.235 456 R C 2.433 178.767 176.300 0.055 0.000 1.131 456 R CA 1.691 57.829 56.100 0.063 0.000 0.960 456 R CB -0.314 30.034 30.300 0.080 0.000 0.856 456 R HN 0.561 nan 8.270 nan 0.000 0.436 457 R N 0.104 120.634 120.500 0.051 0.000 2.073 457 R HA -0.103 4.239 4.340 0.004 0.000 0.234 457 R C 2.096 178.422 176.300 0.043 0.000 1.134 457 R CA 1.794 57.919 56.100 0.042 0.000 0.952 457 R CB -0.203 30.119 30.300 0.036 0.000 0.850 457 R HN 0.152 nan 8.270 nan 0.000 0.433 458 V N 1.471 121.413 119.914 0.046 0.000 2.343 458 V HA -0.241 3.882 4.120 0.004 0.000 0.247 458 V C 2.313 178.436 176.094 0.049 0.000 1.051 458 V CA 1.614 63.942 62.300 0.047 0.000 1.036 458 V CB -0.528 31.325 31.823 0.050 0.000 0.654 458 V HN 0.363 nan 8.190 nan 0.000 0.451 459 L N 0.069 121.322 121.223 0.051 0.000 2.012 459 L HA -0.168 4.174 4.340 0.004 0.000 0.210 459 L C 2.625 179.525 176.870 0.050 0.000 1.073 459 L CA 2.502 57.373 54.840 0.052 0.000 0.748 459 L CB -0.674 41.417 42.059 0.053 0.000 0.891 459 L HN 0.317 nan 8.230 nan 0.000 0.431 460 S N -0.558 115.170 115.700 0.047 0.000 2.368 460 S HA -0.173 4.299 4.470 0.004 0.000 0.225 460 S C 1.865 176.492 174.600 0.043 0.000 1.030 460 S CA 1.488 59.714 58.200 0.044 0.000 0.999 460 S CB -0.436 62.788 63.200 0.040 0.000 0.844 460 S HN 0.630 nan 8.310 nan 0.000 0.459 461 N N 2.251 120.977 118.700 0.043 0.000 2.166 461 N HA -0.012 4.731 4.740 0.004 0.000 0.186 461 N C 1.405 176.944 175.510 0.049 0.000 1.019 461 N CA 0.967 54.043 53.050 0.043 0.000 0.856 461 N CB -0.865 37.647 38.487 0.041 0.000 0.993 461 N HN 0.413 nan 8.380 nan 0.000 0.426 462 N N 1.292 120.023 118.700 0.052 0.000 2.223 462 N HA -0.058 4.684 4.740 0.004 0.000 0.185 462 N C 1.133 176.682 175.510 0.065 0.000 1.016 462 N CA 0.526 53.611 53.050 0.057 0.000 0.863 462 N CB -0.377 38.145 38.487 0.057 0.000 0.983 462 N HN 0.273 nan 8.380 nan 0.000 0.429 463 N N 0.818 119.555 118.700 0.061 0.000 2.244 463 N HA -0.083 4.660 4.740 0.004 0.000 0.183 463 N C 1.479 177.027 175.510 0.062 0.000 1.016 463 N CA 0.861 53.948 53.050 0.062 0.000 0.866 463 N CB 0.015 38.533 38.487 0.053 0.000 0.980 463 N HN 0.236 nan 8.380 nan 0.000 0.430 464 K N 0.730 121.164 120.400 0.058 0.000 2.062 464 K HA 0.156 4.478 4.320 0.004 0.000 0.205 464 K C 2.046 178.687 176.600 0.067 0.000 1.051 464 K CA 0.403 56.725 56.287 0.057 0.000 0.941 464 K CB -0.119 32.409 32.500 0.048 0.000 0.719 464 K HN 0.105 nan 8.250 nan 0.000 0.440 465 I N 0.629 121.239 120.570 0.067 0.000 2.127 465 I HA -0.314 3.858 4.170 0.004 0.000 0.241 465 I C 1.991 178.160 176.117 0.086 0.000 1.075 465 I CA 1.320 62.662 61.300 0.070 0.000 1.334 465 I CB -0.281 37.756 38.000 0.062 0.000 1.040 465 I HN 0.103 nan 8.210 nan 0.000 0.405 466 L N 0.439 121.723 121.223 0.101 0.000 2.083 466 L HA -0.214 4.128 4.340 0.004 0.000 0.209 466 L C 2.836 179.834 176.870 0.213 0.000 1.083 466 L CA 1.239 56.173 54.840 0.157 0.000 0.752 466 L CB -0.676 41.489 42.059 0.178 0.000 0.899 466 L HN 0.262 nan 8.230 nan 0.000 0.433 467 A N -0.373 122.526 122.820 0.132 0.000 1.902 467 A HA -0.162 4.160 4.320 0.004 0.000 0.217 467 A C 2.320 179.994 177.584 0.151 0.000 1.181 467 A CA 1.855 53.961 52.037 0.114 0.000 0.623 467 A CB -0.806 18.242 19.000 0.080 0.000 0.818 467 A HN 0.200 nan 8.150 nan 0.000 0.443 468 V N -0.073 119.919 119.914 0.131 0.000 2.343 468 V HA -0.259 3.863 4.120 0.004 0.000 0.247 468 V C 2.505 178.679 176.094 0.133 0.000 1.051 468 V CA 2.283 64.673 62.300 0.151 0.000 1.036 468 V CB -0.680 31.215 31.823 0.119 0.000 0.654 468 V HN 0.769 nan 8.190 nan 0.000 0.451 469 E N -0.824 119.430 120.200 0.090 0.000 2.077 469 E HA -0.239 4.113 4.350 0.004 0.000 0.193 469 E C 2.187 178.762 176.600 -0.042 0.000 0.989 469 E CA 1.539 57.941 56.400 0.004 0.000 0.800 469 E CB -0.208 29.476 29.700 -0.027 0.000 0.746 469 E HN 0.684 nan 8.360 nan 0.000 0.452 470 Y N 0.666 120.904 120.300 -0.103 0.000 2.145 470 Y HA -0.205 4.347 4.550 0.003 0.000 0.286 470 Y C 2.228 178.076 175.900 -0.086 0.000 1.145 470 Y CA 1.399 59.395 58.100 -0.174 0.000 1.148 470 Y CB -0.155 38.099 38.460 -0.342 0.000 0.981 470 Y HN 0.078 nan 8.280 nan 0.000 0.507 471 L N -1.197 120.128 121.223 0.169 0.000 2.046 471 L HA -0.248 4.094 4.340 0.004 0.000 0.208 471 L C 2.635 179.509 176.870 0.006 0.000 1.077 471 L CA 1.147 56.106 54.840 0.198 0.000 0.747 471 L CB -0.801 41.482 42.059 0.374 0.000 0.896 471 L HN 0.218 nan 8.230 nan 0.000 0.432 472 A N -0.186 122.540 122.820 -0.156 0.000 1.930 472 A HA -0.120 4.202 4.320 0.004 0.000 0.217 472 A C 2.508 179.898 177.584 -0.323 0.000 1.175 472 A CA 1.572 53.285 52.037 -0.541 0.000 0.627 472 A CB -0.605 18.183 19.000 -0.354 0.000 0.815 472 A HN 0.399 nan 8.150 nan 0.000 0.443 473 A N -0.071 122.641 122.820 -0.180 0.000 1.898 473 A HA 0.194 4.516 4.320 0.004 0.000 0.216 473 A C 2.499 180.061 177.584 -0.037 0.000 1.181 473 A CA 1.964 53.923 52.037 -0.131 0.000 0.620 473 A CB -0.990 17.906 19.000 -0.174 0.000 0.819 473 A HN 1.010 nan 8.150 nan 0.000 0.442 474 A N -0.866 121.968 122.820 0.025 0.000 1.902 474 A HA -0.178 4.144 4.320 0.004 0.000 0.217 474 A C 2.153 179.838 177.584 0.168 0.000 1.181 474 A CA 2.092 54.242 52.037 0.190 0.000 0.623 474 A CB -0.504 18.559 19.000 0.106 0.000 0.818 474 A HN 0.552 nan 8.150 nan 0.000 0.443 475 Q N 0.010 119.810 119.800 0.001 0.000 2.124 475 Q HA -0.021 4.321 4.340 0.004 0.000 0.202 475 Q C 1.978 177.949 176.000 -0.049 0.000 0.977 475 Q CA 2.118 57.901 55.803 -0.033 0.000 0.850 475 Q CB -0.602 27.975 28.738 -0.269 0.000 0.901 475 Q HN 0.541 nan 8.270 nan 0.000 0.429 476 A N -0.564 122.193 122.820 -0.105 0.000 1.933 476 A HA -0.112 4.211 4.320 0.004 0.000 0.218 476 A C 2.257 179.824 177.584 -0.030 0.000 1.175 476 A CA 1.550 53.537 52.037 -0.084 0.000 0.628 476 A CB -0.759 18.178 19.000 -0.105 0.000 0.814 476 A HN 0.278 nan 8.150 nan 0.000 0.444 477 V N 0.557 120.478 119.914 0.012 0.000 2.343 477 V HA -0.234 3.889 4.120 0.004 0.000 0.247 477 V C 2.171 178.266 176.094 0.001 0.000 1.051 477 V CA 2.276 64.576 62.300 0.001 0.000 1.036 477 V CB -0.717 31.104 31.823 -0.004 0.000 0.654 477 V HN 0.508 nan 8.190 nan 0.000 0.451 478 D N 0.025 120.463 120.400 0.062 0.000 2.117 478 D HA -0.091 4.552 4.640 0.004 0.000 0.198 478 D C 2.076 178.389 176.300 0.021 0.000 0.982 478 D CA 1.353 55.388 54.000 0.058 0.000 0.828 478 D CB -0.129 40.743 40.800 0.121 0.000 0.967 478 D HN 0.395 nan 8.370 nan 0.000 0.464 479 I N 1.153 121.729 120.570 0.010 0.000 2.394 479 I HA -0.207 3.965 4.170 0.004 0.000 0.251 479 I C 2.272 178.375 176.117 -0.023 0.000 1.136 479 I CA 1.021 62.316 61.300 -0.008 0.000 1.425 479 I CB -0.149 37.839 38.000 -0.020 0.000 1.079 479 I HN -0.018 nan 8.210 nan 0.000 0.425 480 S N 0.163 115.846 115.700 -0.029 0.000 2.501 480 S HA 0.161 4.634 4.470 0.004 0.000 0.220 480 S C 1.692 176.276 174.600 -0.027 0.000 0.997 480 S CA 0.368 58.544 58.200 -0.040 0.000 0.919 480 S CB 0.257 63.429 63.200 -0.047 0.000 0.778 480 S HN 0.549 nan 8.310 nan 0.000 0.523 481 G N 1.866 110.657 108.800 -0.014 0.000 2.221 481 G HA2 -0.288 3.674 3.960 0.004 0.000 0.265 481 G HA3 -0.288 3.674 3.960 0.004 0.000 0.265 481 G C 0.496 175.398 174.900 0.003 0.000 1.041 481 G CA 0.317 45.416 45.100 -0.002 0.000 0.807 481 G HN 0.569 nan 8.290 nan 0.000 0.502 482 R N -1.178 119.316 120.500 -0.009 0.000 2.388 482 R HA 0.319 4.661 4.340 0.004 0.000 0.247 482 R C 1.876 178.145 176.300 -0.052 0.000 0.931 482 R CA -0.076 56.008 56.100 -0.026 0.000 1.082 482 R CB -0.124 30.156 30.300 -0.034 0.000 1.135 482 R HN 0.405 nan 8.270 nan 0.000 0.525 483 F N 2.206 122.046 119.950 -0.182 0.000 2.091 483 F HA -0.278 4.251 4.527 0.003 0.000 0.299 483 F C 1.530 177.240 175.800 -0.151 0.000 1.103 483 F CA 1.835 59.683 58.000 -0.254 0.000 1.228 483 F CB 0.079 38.881 39.000 -0.329 0.000 0.984 483 F HN 0.018 nan 8.300 nan 0.000 0.477 484 D N -0.159 120.147 120.400 -0.155 0.000 2.263 484 D HA -0.109 4.533 4.640 0.004 0.000 0.208 484 D C 2.290 178.454 176.300 -0.227 0.000 0.971 484 D CA 1.341 55.218 54.000 -0.205 0.000 0.867 484 D CB -0.728 40.060 40.800 -0.020 0.000 0.929 484 D HN 0.487 nan 8.370 nan 0.000 0.492 485 G N -0.005 108.684 108.800 -0.185 0.000 2.880 485 G HA2 0.083 4.045 3.960 0.004 0.000 0.209 485 G HA3 0.083 4.045 3.960 0.004 0.000 0.209 485 G C 0.823 175.620 174.900 -0.171 0.000 1.157 485 G CA -0.266 44.750 45.100 -0.139 0.000 0.779 485 G HN 0.167 nan 8.290 nan 0.000 0.539 486 L N 2.227 123.286 121.223 -0.273 0.000 2.461 486 L HA 0.200 4.542 4.340 0.004 0.000 0.272 486 L C 1.303 178.049 176.870 -0.207 0.000 1.197 486 L CA -0.524 54.167 54.840 -0.250 0.000 0.836 486 L CB 0.851 42.701 42.059 -0.348 0.000 1.105 486 L HN 0.222 nan 8.230 nan 0.000 0.477 487 S N 2.150 117.769 115.700 -0.134 0.000 2.596 487 S HA 0.180 4.652 4.470 0.004 0.000 0.260 487 S C -1.863 172.682 174.600 -0.092 0.000 1.336 487 S CA -1.072 57.069 58.200 -0.097 0.000 0.993 487 S CB 0.720 63.878 63.200 -0.071 0.000 0.923 487 S HN 0.420 nan 8.310 nan 0.000 0.567 488 P HA -0.070 nan 4.420 nan 0.000 0.215 488 P C 1.619 178.917 177.300 -0.004 0.000 1.153 488 P CA 2.043 65.124 63.100 -0.032 0.000 0.853 488 P CB -0.277 31.413 31.700 -0.017 0.000 0.788 489 A N -0.189 122.629 122.820 -0.004 0.000 1.898 489 A HA -0.096 4.226 4.320 0.004 0.000 0.216 489 A C 2.316 179.923 177.584 0.038 0.000 1.181 489 A CA 2.042 54.092 52.037 0.021 0.000 0.620 489 A CB -1.618 17.385 19.000 0.005 0.000 0.819 489 A HN 0.182 nan 8.150 nan 0.000 0.442 490 A N -0.091 122.729 122.820 0.001 0.000 1.902 490 A HA -0.179 4.143 4.320 0.004 0.000 0.217 490 A C 2.114 179.745 177.584 0.078 0.000 1.181 490 A CA 1.863 53.907 52.037 0.011 0.000 0.623 490 A CB -0.448 18.523 19.000 -0.049 0.000 0.818 490 A HN 0.546 nan 8.150 nan 0.000 0.443 491 K N -0.379 120.036 120.400 0.025 0.000 2.057 491 K HA -0.072 4.250 4.320 0.004 0.000 0.207 491 K C 2.316 179.084 176.600 0.281 0.000 1.049 491 K CA 1.130 57.488 56.287 0.118 0.000 0.931 491 K CB -0.334 32.140 32.500 -0.045 0.000 0.714 491 K HN 0.447 nan 8.250 nan 0.000 0.440 492 A N 0.981 123.911 122.820 0.183 0.000 1.902 492 A HA -0.155 4.168 4.320 0.004 0.000 0.217 492 A C 2.217 179.945 177.584 0.239 0.000 1.181 492 A CA 2.018 54.168 52.037 0.189 0.000 0.623 492 A CB -0.910 18.169 19.000 0.131 0.000 0.818 492 A HN 0.257 nan 8.150 nan 0.000 0.443 493 T N -1.523 113.180 114.554 0.249 0.000 2.708 493 T HA -0.168 4.184 4.350 0.004 0.000 0.266 493 T C 1.802 176.698 174.700 0.328 0.000 1.037 493 T CA 1.628 63.915 62.100 0.312 0.000 1.146 493 T CB -0.479 68.513 68.868 0.208 0.000 0.865 493 T HN 0.578 nan 8.240 nan 0.000 0.435 494 Y N 2.480 122.898 120.300 0.196 0.000 2.128 494 Y HA -0.199 4.353 4.550 0.003 0.000 0.284 494 Y C 2.437 178.460 175.900 0.205 0.000 1.154 494 Y CA 1.565 59.786 58.100 0.203 0.000 1.149 494 Y CB -0.266 38.354 38.460 0.267 0.000 0.976 494 Y HN 0.128 nan 8.280 nan 0.000 0.505 495 E N 0.433 120.772 120.200 0.232 0.000 2.085 495 E HA -0.238 4.114 4.350 0.004 0.000 0.194 495 E C 2.437 179.062 176.600 0.042 0.000 0.994 495 E CA 1.172 57.628 56.400 0.094 0.000 0.801 495 E CB -0.755 29.062 29.700 0.195 0.000 0.743 495 E HN 0.611 nan 8.360 nan 0.000 0.453 496 A N 1.274 124.180 122.820 0.142 0.000 1.902 496 A HA -0.137 4.185 4.320 0.004 0.000 0.217 496 A C 2.653 180.353 177.584 0.193 0.000 1.181 496 A CA 1.499 53.623 52.037 0.145 0.000 0.623 496 A CB -0.693 18.449 19.000 0.237 0.000 0.818 496 A HN 0.132 nan 8.150 nan 0.000 0.443 497 V N 0.097 120.178 119.914 0.278 0.000 2.307 497 V HA -0.206 3.916 4.120 0.004 0.000 0.245 497 V C 2.662 178.762 176.094 0.010 0.000 1.045 497 V CA 1.936 64.362 62.300 0.210 0.000 1.024 497 V CB -0.763 31.138 31.823 0.130 0.000 0.651 497 V HN 0.445 nan 8.190 nan 0.000 0.449 498 R N -0.016 120.382 120.500 -0.170 0.000 2.148 498 R HA -0.036 4.307 4.340 0.004 0.000 0.227 498 R C 2.325 178.571 176.300 -0.090 0.000 1.103 498 R CA 0.883 56.861 56.100 -0.204 0.000 0.983 498 R CB -0.552 29.493 30.300 -0.424 0.000 0.874 498 R HN 0.505 nan 8.270 nan 0.000 0.451 499 R N 0.189 120.656 120.500 -0.054 0.000 2.148 499 R HA -0.016 4.326 4.340 0.004 0.000 0.227 499 R C 2.136 178.422 176.300 -0.022 0.000 1.103 499 R CA 0.958 57.039 56.100 -0.032 0.000 0.983 499 R CB -0.064 30.220 30.300 -0.027 0.000 0.874 499 R HN 0.187 nan 8.270 nan 0.000 0.451 500 L N -0.520 120.698 121.223 -0.008 0.000 2.200 500 L HA 0.107 4.449 4.340 0.004 0.000 0.200 500 L C 0.370 177.250 176.870 0.016 0.000 1.072 500 L CA 0.413 55.257 54.840 0.006 0.000 0.787 500 L CB 0.337 42.412 42.059 0.026 0.000 0.957 500 L HN -0.151 nan 8.230 nan 0.000 0.459 501 V N 0.020 119.947 119.914 0.023 0.000 2.638 501 V HA 0.387 4.510 4.120 0.004 0.000 0.306 501 V C -2.419 173.683 176.094 0.013 0.000 1.052 501 V CA -1.560 60.758 62.300 0.030 0.000 0.885 501 V CB 1.815 33.676 31.823 0.063 0.000 0.999 501 V HN -0.053 nan 8.190 nan 0.000 0.424 502 P HA 0.299 nan 4.420 nan 0.000 0.276 502 P C 0.039 177.366 177.300 0.045 0.000 1.252 502 P CA -0.267 62.841 63.100 0.013 0.000 0.802 502 P CB 0.320 32.029 31.700 0.015 0.000 1.035 503 T N 1.073 115.657 114.554 0.050 0.000 2.908 503 T HA 0.026 4.378 4.350 0.004 0.000 0.325 503 T C 0.224 174.982 174.700 0.097 0.000 1.092 503 T CA 0.326 62.481 62.100 0.091 0.000 1.125 503 T CB -0.144 68.773 68.868 0.082 0.000 1.016 503 T HN 0.221 nan 8.240 nan 0.000 0.550 504 L N 3.506 124.818 121.223 0.149 0.000 2.282 504 L HA 0.526 4.868 4.340 0.004 0.000 0.287 504 L C 0.837 177.757 176.870 0.083 0.000 1.075 504 L CA 0.183 55.099 54.840 0.127 0.000 0.839 504 L CB 0.025 42.214 42.059 0.216 0.000 1.219 504 L HN 0.730 nan 8.230 nan 0.000 0.434 505 G N 4.158 112.981 108.800 0.037 0.000 2.542 505 G HA2 0.201 4.164 3.960 0.004 0.000 0.211 505 G HA3 0.201 4.164 3.960 0.004 0.000 0.211 505 G C 0.295 175.164 174.900 -0.052 0.000 1.702 505 G CA 0.459 45.556 45.100 -0.006 0.000 0.935 505 G HN 0.653 nan 8.290 nan 0.000 0.509 506 V N -0.799 119.093 119.914 -0.037 0.000 3.083 506 V HA 0.384 4.506 4.120 0.004 0.000 0.306 506 V C -0.349 175.825 176.094 0.134 0.000 1.077 506 V CA -1.261 61.036 62.300 -0.004 0.000 1.073 506 V CB 1.054 32.956 31.823 0.132 0.000 1.081 506 V HN 0.301 nan 8.190 nan 0.000 0.474 507 D N 2.462 123.063 120.400 0.335 0.000 2.478 507 D HA 0.309 4.952 4.640 0.004 0.000 0.234 507 D C 0.370 176.715 176.300 0.075 0.000 1.154 507 D CA 0.789 54.883 54.000 0.157 0.000 0.874 507 D CB 0.278 41.150 40.800 0.121 0.000 1.198 507 D HN 0.889 nan 8.370 nan 0.000 0.455 508 R N 0.670 121.182 120.500 0.020 0.000 2.663 508 R HA 0.210 4.552 4.340 0.004 0.000 0.267 508 R C -0.994 175.327 176.300 0.035 0.000 1.038 508 R CA -1.010 55.115 56.100 0.042 0.000 0.886 508 R CB 0.204 30.531 30.300 0.045 0.000 1.249 508 R HN 0.246 nan 8.270 nan 0.000 0.463 509 Y N 3.047 123.323 120.300 -0.040 0.000 2.996 509 Y HA -0.209 4.343 4.550 0.004 0.000 0.367 509 Y C 0.751 176.614 175.900 -0.062 0.000 1.251 509 Y CA 1.095 59.169 58.100 -0.043 0.000 1.614 509 Y CB 0.522 38.965 38.460 -0.028 0.000 1.123 509 Y HN 0.640 nan 8.280 nan 0.000 0.571 510 M N 4.519 123.896 119.600 -0.371 0.000 2.615 510 M HA 0.066 4.548 4.480 0.004 0.000 0.262 510 M C 2.238 178.397 176.300 -0.236 0.000 1.198 510 M CA 1.089 56.226 55.300 -0.273 0.000 1.165 510 M CB -1.271 31.150 32.600 -0.298 0.000 1.310 510 M HN 0.799 nan 8.290 nan 0.000 0.494 511 A N 1.364 123.927 122.820 -0.428 0.000 1.903 511 A HA -0.226 4.096 4.320 0.004 0.000 0.219 511 A C 1.854 179.450 177.584 0.020 0.000 1.191 511 A CA 2.272 54.191 52.037 -0.197 0.000 0.638 511 A CB -0.807 18.045 19.000 -0.246 0.000 0.823 511 A HN 0.423 nan 8.150 nan 0.000 0.451 512 D N -0.033 120.468 120.400 0.169 0.000 2.117 512 D HA -0.116 4.526 4.640 0.004 0.000 0.197 512 D C 1.369 177.717 176.300 0.080 0.000 0.987 512 D CA 1.419 55.508 54.000 0.149 0.000 0.829 512 D CB -0.442 40.464 40.800 0.176 0.000 0.961 512 D HN 0.422 nan 8.370 nan 0.000 0.460 513 D N 0.565 121.002 120.400 0.062 0.000 2.117 513 D HA -0.081 4.561 4.640 0.004 0.000 0.197 513 D C 2.338 178.666 176.300 0.047 0.000 0.987 513 D CA 0.404 54.432 54.000 0.046 0.000 0.829 513 D CB -0.247 40.569 40.800 0.026 0.000 0.961 513 D HN 0.291 nan 8.370 nan 0.000 0.460 514 I N 0.851 121.437 120.570 0.026 0.000 2.226 514 I HA -0.210 3.963 4.170 0.004 0.000 0.245 514 I C 2.466 178.610 176.117 0.044 0.000 1.100 514 I CA 1.017 62.340 61.300 0.037 0.000 1.374 514 I CB -0.220 37.786 38.000 0.011 0.000 1.057 514 I HN -0.006 nan 8.210 nan 0.000 0.413 515 E N 0.951 121.174 120.200 0.039 0.000 2.106 515 E HA -0.247 4.105 4.350 0.004 0.000 0.192 515 E C 2.224 178.847 176.600 0.039 0.000 0.984 515 E CA 0.966 57.389 56.400 0.039 0.000 0.806 515 E CB 0.089 29.814 29.700 0.041 0.000 0.750 515 E HN 0.265 nan 8.360 nan 0.000 0.458 516 L N 0.212 121.460 121.223 0.042 0.000 1.994 516 L HA -0.165 4.177 4.340 0.004 0.000 0.208 516 L C 2.298 179.193 176.870 0.043 0.000 1.071 516 L CA 1.346 56.206 54.840 0.035 0.000 0.745 516 L CB -0.459 41.621 42.059 0.036 0.000 0.892 516 L HN 0.022 nan 8.230 nan 0.000 0.431 517 V N -0.327 119.631 119.914 0.072 0.000 2.427 517 V HA -0.243 3.879 4.120 0.004 0.000 0.248 517 V C 2.692 178.843 176.094 0.094 0.000 1.051 517 V CA 1.415 63.786 62.300 0.117 0.000 1.048 517 V CB -1.158 30.743 31.823 0.130 0.000 0.666 517 V HN 0.574 nan 8.190 nan 0.000 0.456 518 A N -0.124 122.734 122.820 0.062 0.000 1.902 518 A HA -0.230 4.093 4.320 0.004 0.000 0.217 518 A C 2.011 179.617 177.584 0.037 0.000 1.181 518 A CA 1.919 53.986 52.037 0.050 0.000 0.623 518 A CB -0.520 18.507 19.000 0.045 0.000 0.818 518 A HN 0.530 nan 8.150 nan 0.000 0.443 519 D N 0.154 120.569 120.400 0.025 0.000 2.117 519 D HA -0.042 4.600 4.640 0.004 0.000 0.198 519 D C 2.267 178.556 176.300 -0.017 0.000 0.982 519 D CA 1.469 55.473 54.000 0.006 0.000 0.828 519 D CB -0.474 40.326 40.800 -0.000 0.000 0.967 519 D HN 0.411 nan 8.370 nan 0.000 0.464 520 A N 0.866 123.665 122.820 -0.034 0.000 1.908 520 A HA -0.150 4.172 4.320 0.004 0.000 0.218 520 A C 2.415 179.934 177.584 -0.109 0.000 1.181 520 A CA 0.999 52.957 52.037 -0.132 0.000 0.627 520 A CB -0.832 18.029 19.000 -0.232 0.000 0.818 520 A HN 0.191 nan 8.150 nan 0.000 0.445 521 L N 0.336 121.576 121.223 0.028 0.000 2.017 521 L HA -0.206 4.136 4.340 0.004 0.000 0.208 521 L C 3.061 179.953 176.870 0.036 0.000 1.073 521 L CA 1.737 56.624 54.840 0.079 0.000 0.745 521 L CB -0.479 41.621 42.059 0.070 0.000 0.894 521 L HN 0.620 nan 8.230 nan 0.000 0.432 522 S N -0.335 115.379 115.700 0.024 0.000 2.419 522 S HA -0.192 4.281 4.470 0.004 0.000 0.235 522 S C 1.971 176.575 174.600 0.006 0.000 1.019 522 S CA 0.858 59.071 58.200 0.021 0.000 0.982 522 S CB -0.410 62.802 63.200 0.021 0.000 0.789 522 S HN 0.403 nan 8.310 nan 0.000 0.490 523 R N 0.723 121.211 120.500 -0.019 0.000 2.276 523 R HA 0.212 4.554 4.340 0.004 0.000 0.196 523 R C 1.503 177.781 176.300 -0.038 0.000 0.961 523 R CA 0.452 56.532 56.100 -0.034 0.000 1.024 523 R CB -0.364 29.899 30.300 -0.062 0.000 0.940 523 R HN 0.614 nan 8.270 nan 0.000 0.480 524 G N 1.610 110.393 108.800 -0.030 0.000 2.160 524 G HA2 -0.247 3.716 3.960 0.004 0.000 0.244 524 G HA3 -0.247 3.716 3.960 0.004 0.000 0.244 524 G C 0.592 175.451 174.900 -0.069 0.000 1.022 524 G CA 0.257 45.351 45.100 -0.011 0.000 0.741 524 G HN 0.254 nan 8.290 nan 0.000 0.508 525 E N -0.496 119.585 120.200 -0.199 0.000 2.118 525 E HA -0.082 4.271 4.350 0.004 0.000 0.195 525 E C 2.044 178.400 176.600 -0.407 0.000 0.992 525 E CA 1.265 57.447 56.400 -0.364 0.000 0.804 525 E CB -0.242 29.103 29.700 -0.591 0.000 0.741 525 E HN 0.645 nan 8.360 nan 0.000 0.458 526 F N 0.256 120.177 119.950 -0.049 0.000 2.293 526 F HA -0.064 4.465 4.527 0.004 0.000 0.297 526 F C 2.230 178.060 175.800 0.050 0.000 1.089 526 F CA 0.282 58.285 58.000 0.007 0.000 1.377 526 F CB -0.504 38.489 39.000 -0.011 0.000 1.051 526 F HN 0.028 nan 8.300 nan 0.000 0.511 527 L N 0.592 121.916 121.223 0.167 0.000 2.056 527 L HA -0.094 4.248 4.340 0.004 0.000 0.207 527 L C 2.283 179.194 176.870 0.068 0.000 1.078 527 L CA 1.714 56.625 54.840 0.118 0.000 0.749 527 L CB -0.582 41.530 42.059 0.090 0.000 0.901 527 L HN -0.042 nan 8.230 nan 0.000 0.433 528 R N -0.647 119.867 120.500 0.023 0.000 2.148 528 R HA -0.026 4.316 4.340 0.004 0.000 0.227 528 R C 2.244 178.549 176.300 0.009 0.000 1.103 528 R CA 1.042 57.142 56.100 0.000 0.000 0.983 528 R CB -0.511 29.767 30.300 -0.037 0.000 0.874 528 R HN 0.514 nan 8.270 nan 0.000 0.451 529 A N 0.866 123.698 122.820 0.019 0.000 1.898 529 A HA -0.123 4.199 4.320 0.004 0.000 0.216 529 A C 1.945 179.573 177.584 0.074 0.000 1.181 529 A CA 1.110 53.175 52.037 0.046 0.000 0.620 529 A CB -0.218 18.832 19.000 0.084 0.000 0.819 529 A HN 0.090 nan 8.150 nan 0.000 0.442 530 I N 0.024 120.649 120.570 0.092 0.000 2.315 530 I HA -0.158 4.014 4.170 0.004 0.000 0.248 530 I C 2.772 178.920 176.117 0.052 0.000 1.117 530 I CA 1.146 62.493 61.300 0.079 0.000 1.404 530 I CB -0.536 37.516 38.000 0.085 0.000 1.071 530 I HN 0.306 nan 8.210 nan 0.000 0.419 531 A N -0.255 122.592 122.820 0.044 0.000 1.968 531 A HA -0.165 4.157 4.320 0.004 0.000 0.217 531 A C 2.498 180.097 177.584 0.025 0.000 1.169 531 A CA 1.380 53.436 52.037 0.031 0.000 0.638 531 A CB -0.508 18.508 19.000 0.027 0.000 0.812 531 A HN 0.387 nan 8.150 nan 0.000 0.446 532 R N -0.856 119.659 120.500 0.025 0.000 2.210 532 R HA 0.004 4.346 4.340 0.004 0.000 0.203 532 R C 0.745 177.061 176.300 0.027 0.000 1.010 532 R CA 1.057 57.169 56.100 0.021 0.000 1.008 532 R CB 0.113 30.421 30.300 0.013 0.000 0.923 532 R HN 0.358 nan 8.270 nan 0.000 0.469 533 E N 0.116 120.338 120.200 0.036 0.000 2.490 533 E HA 0.053 4.406 4.350 0.004 0.000 0.209 533 E C 0.395 177.017 176.600 0.037 0.000 0.971 533 E CA 0.543 56.968 56.400 0.042 0.000 0.988 533 E CB 1.326 31.061 29.700 0.059 0.000 1.029 533 E HN 0.360 nan 8.360 nan 0.000 0.496 534 T N -2.251 112.322 114.554 0.033 0.000 2.864 534 T HA 0.367 4.719 4.350 0.004 0.000 0.289 534 T C 0.047 174.759 174.700 0.020 0.000 1.082 534 T CA -0.732 61.383 62.100 0.025 0.000 1.009 534 T CB 1.924 70.807 68.868 0.025 0.000 1.234 534 T HN -0.329 nan 8.240 nan 0.000 0.526 535 D N 0.290 120.698 120.400 0.014 0.000 2.368 535 D HA 0.268 4.910 4.640 0.004 0.000 0.218 535 D C 0.300 176.606 176.300 0.011 0.000 1.112 535 D CA -0.022 53.985 54.000 0.012 0.000 0.834 535 D CB 0.196 41.002 40.800 0.009 0.000 0.953 535 D HN 0.490 nan 8.370 nan 0.000 0.505 536 I N 1.075 121.653 120.570 0.012 0.000 2.634 536 I HA -0.018 4.154 4.170 0.004 0.000 0.284 536 I C 0.637 176.763 176.117 0.015 0.000 1.124 536 I CA 0.375 61.682 61.300 0.011 0.000 1.417 536 I CB 0.729 38.736 38.000 0.011 0.000 1.396 536 I HN -0.316 nan 8.210 nan 0.000 0.571 537 Q N 6.038 125.846 119.800 0.013 0.000 2.394 537 Q HA 0.456 4.798 4.340 0.004 0.000 0.261 537 Q C -1.281 174.730 176.000 0.018 0.000 1.023 537 Q CA -0.499 55.314 55.803 0.016 0.000 0.720 537 Q CB 1.122 29.873 28.738 0.021 0.000 1.241 537 Q HN 0.537 nan 8.270 nan 0.000 0.483 538 L N 3.116 124.354 121.223 0.025 0.000 2.426 538 L HA 0.339 4.681 4.340 0.004 0.000 0.271 538 L C 0.730 177.622 176.870 0.037 0.000 1.169 538 L CA -0.145 54.713 54.840 0.029 0.000 0.836 538 L CB 0.416 42.498 42.059 0.038 0.000 1.112 538 L HN 0.505 nan 8.230 nan 0.000 0.465 539 R N 0.000 120.525 120.500 0.042 0.000 2.786 539 R HA 0.000 4.342 4.340 0.004 0.000 0.208 539 R CA 0.000 56.135 56.100 0.058 0.000 0.921 539 R CB 0.000 30.337 30.300 0.062 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535