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 2z5g_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLRANDAPIV LLHGLTGWGR EEMFGFKYWG GVRGDIEQWL NDNGYRTYTL DATA SEQUENCE AVGPLSSNWD RACEAYAQLV GGTVDYGAAH AAKHGHARFG RTYPGLLPEL DATA SEQUENCE KRGGRIHIIA HSQGGQTARM LVSLLENGSQ EEREYAKAHN VSLSPLFEGG DATA SEQUENCE HHFVLSVTTI ATPHDGTTLV NMVDFTDRFF DLQKAVLEAA AVASNVPYTS DATA SEQUENCE QVYDFKLDQW GLRRQPGESF DHYFERLKRS PVWTSTDTAR YDLSVSGAEK DATA SEQUENCE LNQWVQASPN TYYLSFSTER TYRGALTGNH YPELGMNAFS AVVCAPFLGS DATA SEQUENCE YRNPTLGIDD RWLENDGIVN TVSMNGPKRG SSDRIVPYDG TLKKGVWNDM DATA SEQUENCE GTYNVDHLEI IGVDPNPSFD IRAFYLRLAE QLASLQP 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.612 174.600 0.019 0.000 1.055 2 S CA 0.000 58.210 58.200 0.017 0.000 1.107 2 S CB 0.000 63.206 63.200 0.011 0.000 0.593 3 L N 3.041 124.274 121.223 0.016 0.000 2.559 3 L HA 0.153 4.493 4.340 -0.000 0.000 0.282 3 L C 1.417 178.298 176.870 0.019 0.000 1.232 3 L CA 0.720 55.570 54.840 0.016 0.000 0.885 3 L CB -0.001 42.065 42.059 0.012 0.000 1.131 3 L HN 0.938 nan 8.230 nan 0.000 0.498 4 R N 2.945 123.462 120.500 0.027 0.000 2.484 4 R HA 0.163 4.503 4.340 -0.000 0.000 0.293 4 R C 0.485 176.801 176.300 0.027 0.000 1.023 4 R CA 0.506 56.629 56.100 0.038 0.000 1.037 4 R CB 0.647 30.973 30.300 0.043 0.000 0.951 4 R HN 0.780 nan 8.270 nan 0.000 0.418 5 A N 3.955 126.790 122.820 0.026 0.000 2.288 5 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 5 A C -0.214 177.396 177.584 0.043 0.000 1.199 5 A CA 0.323 52.376 52.037 0.026 0.000 0.891 5 A CB -0.095 18.914 19.000 0.014 0.000 0.923 5 A HN 0.906 nan 8.150 nan 0.000 0.500 6 N N -1.906 116.831 118.700 0.062 0.000 2.610 6 N HA 0.428 5.168 4.740 -0.000 0.000 0.264 6 N C -1.500 174.063 175.510 0.089 0.000 1.348 6 N CA -0.622 52.475 53.050 0.078 0.000 0.819 6 N CB 0.913 39.465 38.487 0.108 0.000 1.521 6 N HN -0.196 nan 8.380 nan 0.000 0.497 7 D N -0.481 119.957 120.400 0.062 0.000 2.501 7 D HA 0.265 4.905 4.640 -0.000 0.000 0.226 7 D C -0.256 176.072 176.300 0.047 0.000 1.198 7 D CA -0.153 53.879 54.000 0.053 0.000 0.830 7 D CB 0.358 41.172 40.800 0.022 0.000 1.014 7 D HN 0.725 nan 8.370 nan 0.000 0.496 8 A N 2.509 125.351 122.820 0.037 0.000 2.450 8 A HA 0.389 4.709 4.320 -0.000 0.000 0.255 8 A C -2.048 175.567 177.584 0.051 0.000 1.096 8 A CA -0.782 51.217 52.037 -0.063 0.000 0.778 8 A CB 0.137 18.915 19.000 -0.370 0.000 1.031 8 A HN -0.037 nan 8.150 nan 0.000 0.494 9 P HA 0.336 nan 4.420 nan 0.000 0.274 9 P C -0.607 176.770 177.300 0.129 0.000 1.237 9 P CA -0.096 63.084 63.100 0.133 0.000 0.793 9 P CB 0.773 32.611 31.700 0.230 0.000 0.977 10 I N 0.712 121.364 120.570 0.137 0.000 2.428 10 I HA 0.287 4.457 4.170 -0.000 0.000 0.296 10 I C 0.024 176.166 176.117 0.041 0.000 0.985 10 I CA -0.956 60.392 61.300 0.080 0.000 1.260 10 I CB 1.658 39.659 38.000 0.002 0.000 1.389 10 I HN -0.009 nan 8.210 nan 0.000 0.484 11 V N 6.924 126.830 119.914 -0.014 0.000 2.444 11 V HA 0.374 4.494 4.120 -0.000 0.000 0.294 11 V C -0.021 175.977 176.094 -0.161 0.000 1.022 11 V CA -0.618 61.650 62.300 -0.053 0.000 0.850 11 V CB 1.731 33.523 31.823 -0.050 0.000 0.992 11 V HN 0.460 nan 8.190 nan 0.000 0.426 12 L N 5.582 126.630 121.223 -0.293 0.000 2.305 12 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 12 L C -0.603 176.166 176.870 -0.168 0.000 1.085 12 L CA -0.429 54.067 54.840 -0.573 0.000 0.813 12 L CB 1.238 42.557 42.059 -1.232 0.000 1.157 12 L HN 0.438 nan 8.230 nan 0.000 0.436 13 L N 3.860 125.142 121.223 0.098 0.000 2.446 13 L HA 0.375 4.715 4.340 -0.000 0.000 0.268 13 L C -0.099 177.001 176.870 0.384 0.000 0.975 13 L CA -0.295 54.657 54.840 0.185 0.000 0.848 13 L CB 1.001 43.091 42.059 0.052 0.000 1.225 13 L HN 0.634 nan 8.230 nan 0.000 0.410 14 H N 2.388 121.589 119.070 0.218 0.000 2.703 14 H HA 0.745 5.301 4.556 -0.000 0.000 0.377 14 H C 0.511 175.795 175.328 -0.073 0.000 1.392 14 H CA 0.044 55.956 56.048 -0.225 0.000 1.458 14 H CB 0.342 29.391 29.762 -1.189 0.000 1.529 14 H HN 0.608 nan 8.280 nan 0.000 0.619 15 G N -0.624 108.252 108.800 0.128 0.000 3.134 15 G HA2 0.259 4.219 3.960 -0.000 0.000 0.158 15 G HA3 0.259 4.219 3.960 -0.000 0.000 0.158 15 G C 0.425 175.486 174.900 0.268 0.000 1.334 15 G CA -0.393 44.802 45.100 0.159 0.000 1.001 15 G HN 0.753 nan 8.290 nan 0.000 0.600 16 L N 0.397 121.783 121.223 0.271 0.000 2.633 16 L HA 0.270 4.610 4.340 -0.000 0.000 0.235 16 L C 0.912 177.975 176.870 0.323 0.000 1.163 16 L CA 0.771 55.815 54.840 0.340 0.000 0.859 16 L CB -1.604 40.713 42.059 0.430 0.000 0.973 16 L HN 0.423 nan 8.230 nan 0.000 0.451 17 T N -3.079 111.634 114.554 0.265 0.000 2.900 17 T HA 0.870 5.220 4.350 -0.000 0.000 0.303 17 T C -0.178 174.430 174.700 -0.152 0.000 1.142 17 T CA -0.238 62.003 62.100 0.236 0.000 1.007 17 T CB 1.974 71.046 68.868 0.340 0.000 1.156 17 T HN 0.647 nan 8.240 nan 0.000 0.490 18 G N 0.749 109.308 108.800 -0.402 0.000 2.368 18 G HA2 0.469 4.429 3.960 -0.000 0.000 0.301 18 G HA3 0.469 4.429 3.960 -0.000 0.000 0.301 18 G C -1.918 172.420 174.900 -0.938 0.000 1.640 18 G CA -0.438 43.740 45.100 -1.537 0.000 0.941 18 G HN 1.476 nan 8.290 nan 0.000 0.695 19 W N 0.070 120.958 121.300 -0.688 0.000 3.005 19 W HA 0.805 5.464 4.660 -0.001 0.000 0.343 19 W C 0.370 176.798 176.519 -0.152 0.000 1.243 19 W CA -1.105 56.026 57.345 -0.356 0.000 1.186 19 W CB 0.540 29.737 29.460 -0.437 0.000 1.453 19 W HN 1.210 nan 8.180 nan 0.000 0.575 20 G N 0.753 109.648 108.800 0.160 0.000 2.599 20 G HA2 0.302 4.262 3.960 -0.000 0.000 0.264 20 G HA3 0.302 4.262 3.960 -0.000 0.000 0.264 20 G C 0.409 175.411 174.900 0.171 0.000 1.200 20 G CA -0.918 44.257 45.100 0.125 0.000 0.896 20 G HN 0.702 nan 8.290 nan 0.000 0.536 21 R N -0.383 120.180 120.500 0.104 0.000 2.159 21 R HA -0.068 4.272 4.340 -0.000 0.000 0.237 21 R C 1.658 178.021 176.300 0.105 0.000 1.131 21 R CA 1.188 57.344 56.100 0.094 0.000 0.982 21 R CB 0.146 30.471 30.300 0.041 0.000 0.868 21 R HN 0.463 nan 8.270 nan 0.000 0.453 22 E N 0.581 120.839 120.200 0.096 0.000 2.442 22 E HA 0.026 4.376 4.350 -0.000 0.000 0.195 22 E C 0.127 176.748 176.600 0.035 0.000 1.030 22 E CA 0.432 56.871 56.400 0.065 0.000 0.869 22 E CB 0.176 29.908 29.700 0.054 0.000 0.857 22 E HN 0.455 nan 8.360 nan 0.000 0.505 23 E N 0.531 120.777 120.200 0.077 0.000 2.322 23 E HA 0.193 4.543 4.350 -0.000 0.000 0.257 23 E C 0.502 177.001 176.600 -0.169 0.000 1.155 23 E CA -0.575 55.803 56.400 -0.036 0.000 0.936 23 E CB 0.550 30.292 29.700 0.069 0.000 1.130 23 E HN -0.184 nan 8.360 nan 0.000 0.465 24 M N 0.477 119.789 119.600 -0.480 0.000 2.503 24 M HA -0.226 4.254 4.480 -0.000 0.000 0.199 24 M C -0.512 175.692 176.300 -0.159 0.000 0.466 24 M CA 0.693 55.666 55.300 -0.545 0.000 0.510 24 M CB -1.967 30.124 32.600 -0.849 0.000 1.858 24 M HN 0.734 nan 8.290 nan 0.000 0.799 25 F N -0.731 119.163 119.950 -0.094 0.000 3.084 25 F HA -0.181 4.346 4.527 -0.000 0.000 0.286 25 F C 1.403 177.222 175.800 0.031 0.000 0.855 25 F CA 2.127 60.105 58.000 -0.035 0.000 1.091 25 F CB -2.274 36.687 39.000 -0.065 0.000 1.177 25 F HN 0.662 nan 8.300 nan 0.000 0.542 26 G N -1.144 107.755 108.800 0.164 0.000 2.194 26 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.236 26 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.236 26 G C 0.195 175.219 174.900 0.207 0.000 0.987 26 G CA -0.223 44.975 45.100 0.164 0.000 0.635 26 G HN 0.674 nan 8.290 nan 0.000 0.520 27 F N 3.864 123.879 119.950 0.107 0.000 2.533 27 F HA 0.501 5.028 4.527 -0.000 0.000 0.378 27 F C 0.774 176.750 175.800 0.294 0.000 1.070 27 F CA -0.448 57.630 58.000 0.129 0.000 1.172 27 F CB 0.512 39.552 39.000 0.065 0.000 1.085 27 F HN -0.095 nan 8.300 nan 0.000 0.552 28 K N 7.087 127.334 120.400 -0.256 0.000 2.249 28 K HA -0.035 4.285 4.320 -0.000 0.000 0.280 28 K C 0.400 176.821 176.600 -0.299 0.000 1.033 28 K CA -0.220 55.966 56.287 -0.168 0.000 0.946 28 K CB 0.740 33.085 32.500 -0.257 0.000 1.005 28 K HN 0.838 nan 8.250 nan 0.000 0.469 29 Y N 1.629 121.602 120.300 -0.544 0.000 2.200 29 Y HA -0.111 4.439 4.550 -0.000 0.000 0.290 29 Y C 0.118 175.574 175.900 -0.740 0.000 1.137 29 Y CA 1.101 58.664 58.100 -0.894 0.000 1.163 29 Y CB 0.220 37.753 38.460 -1.545 0.000 0.988 29 Y HN 0.532 nan 8.280 nan 0.000 0.518 30 W N 1.555 122.660 121.300 -0.327 0.000 2.247 30 W HA 0.434 5.094 4.660 0.000 0.000 0.394 30 W C 0.805 176.984 176.519 -0.567 0.000 0.939 30 W CA 0.683 57.770 57.345 -0.430 0.000 1.548 30 W CB 0.630 29.886 29.460 -0.340 0.000 1.610 30 W HN 0.410 nan 8.180 nan 0.000 0.336 31 G N 0.428 108.967 108.800 -0.434 0.000 3.134 31 G HA2 0.026 3.986 3.960 -0.000 0.000 0.195 31 G HA3 0.026 3.986 3.960 -0.000 0.000 0.195 31 G C 0.964 175.622 174.900 -0.403 0.000 1.054 31 G CA -0.204 44.616 45.100 -0.467 0.000 0.828 31 G HN 1.065 nan 8.290 nan 0.000 0.462 32 G N -0.151 108.298 108.800 -0.585 0.000 2.672 32 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.324 32 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.324 32 G C 1.816 176.416 174.900 -0.500 0.000 1.286 32 G CA 3.068 47.717 45.100 -0.752 0.000 1.004 32 G HN 1.994 nan 8.290 nan 0.000 0.548 33 V N -0.981 118.919 119.914 -0.024 0.000 3.217 33 V HA 0.194 4.314 4.120 -0.000 0.000 0.264 33 V C 2.473 178.611 176.094 0.073 0.000 1.135 33 V CA 2.273 64.649 62.300 0.127 0.000 1.142 33 V CB -0.272 31.672 31.823 0.202 0.000 0.754 33 V HN 0.560 nan 8.190 nan 0.000 0.484 34 R N 1.460 121.986 120.500 0.045 0.000 2.173 34 R HA 0.473 4.813 4.340 -0.000 0.000 0.208 34 R C 1.134 177.581 176.300 0.245 0.000 1.035 34 R CA 0.988 57.178 56.100 0.150 0.000 1.004 34 R CB -0.057 30.371 30.300 0.213 0.000 0.917 34 R HN 0.727 nan 8.270 nan 0.000 0.462 35 G N 0.130 108.941 108.800 0.019 0.000 2.334 35 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.249 35 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.249 35 G C -1.871 172.724 174.900 -0.509 0.000 1.327 35 G CA -0.385 44.690 45.100 -0.042 0.000 0.979 35 G HN 0.058 nan 8.290 nan 0.000 0.471 36 D N 0.514 120.407 120.400 -0.846 0.000 2.446 36 D HA 0.525 5.165 4.640 -0.000 0.000 0.251 36 D C 1.576 177.026 176.300 -1.417 0.000 1.137 36 D CA -0.613 52.879 54.000 -0.845 0.000 0.890 36 D CB 0.776 41.310 40.800 -0.443 0.000 1.071 36 D HN 0.338 nan 8.370 nan 0.000 0.528 37 I N 1.930 121.773 120.570 -1.212 0.000 2.179 37 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 37 I C 2.280 178.114 176.117 -0.473 0.000 1.088 37 I CA 0.827 61.573 61.300 -0.924 0.000 1.357 37 I CB 0.022 37.608 38.000 -0.689 0.000 1.051 37 I HN 0.505 nan 8.210 nan 0.000 0.409 38 E N 0.786 120.743 120.200 -0.406 0.000 2.085 38 E HA -0.341 4.009 4.350 -0.000 0.000 0.194 38 E C 2.181 178.660 176.600 -0.201 0.000 0.994 38 E CA 1.671 57.902 56.400 -0.282 0.000 0.801 38 E CB 0.008 29.554 29.700 -0.256 0.000 0.743 38 E HN 0.339 nan 8.360 nan 0.000 0.453 39 Q N -0.064 119.597 119.800 -0.232 0.000 2.079 39 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 39 Q C 1.692 177.728 176.000 0.061 0.000 0.974 39 Q CA 1.921 57.659 55.803 -0.107 0.000 0.840 39 Q CB -0.413 28.259 28.738 -0.110 0.000 0.898 39 Q HN 0.413 nan 8.270 nan 0.000 0.430 40 W N 0.356 121.620 121.300 -0.059 0.000 2.335 40 W HA -0.134 4.526 4.660 -0.000 0.000 0.311 40 W C 1.938 178.452 176.519 -0.007 0.000 1.213 40 W CA 0.729 58.054 57.345 -0.033 0.000 1.274 40 W CB -1.163 28.278 29.460 -0.032 0.000 1.148 40 W HN 0.224 nan 8.180 nan 0.000 0.498 41 L N 0.122 121.472 121.223 0.212 0.000 2.027 41 L HA -0.225 4.115 4.340 -0.000 0.000 0.206 41 L C 2.334 179.286 176.870 0.137 0.000 1.074 41 L CA 1.289 56.237 54.840 0.181 0.000 0.745 41 L CB -1.082 41.022 42.059 0.076 0.000 0.898 41 L HN -0.009 nan 8.230 nan 0.000 0.433 42 N N 0.226 118.945 118.700 0.032 0.000 2.104 42 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 42 N C 1.377 176.882 175.510 -0.010 0.000 1.024 42 N CA 1.515 54.549 53.050 -0.026 0.000 0.853 42 N CB -0.296 38.137 38.487 -0.090 0.000 1.008 42 N HN 0.312 nan 8.380 nan 0.000 0.424 43 D N 0.522 120.940 120.400 0.029 0.000 2.310 43 D HA -0.039 4.601 4.640 -0.000 0.000 0.212 43 D C 0.797 177.102 176.300 0.009 0.000 0.965 43 D CA 0.615 54.629 54.000 0.023 0.000 0.879 43 D CB -0.243 40.593 40.800 0.059 0.000 0.921 43 D HN 0.245 nan 8.370 nan 0.000 0.510 44 N N -0.436 118.286 118.700 0.036 0.000 2.268 44 N HA 0.107 4.847 4.740 -0.000 0.000 0.204 44 N C 0.999 176.401 175.510 -0.180 0.000 1.124 44 N CA 0.489 53.543 53.050 0.006 0.000 0.838 44 N CB 1.403 39.977 38.487 0.145 0.000 0.994 44 N HN 0.171 nan 8.380 nan 0.000 0.489 45 G N 0.586 109.267 108.800 -0.198 0.000 2.157 45 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.239 45 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.239 45 G C -0.588 174.032 174.900 -0.467 0.000 0.982 45 G CA -0.254 44.638 45.100 -0.346 0.000 0.650 45 G HN 0.335 nan 8.290 nan 0.000 0.527 46 Y N 0.360 120.638 120.300 -0.036 0.000 2.478 46 Y HA 0.668 5.218 4.550 0.000 0.000 0.329 46 Y C 0.800 176.660 175.900 -0.067 0.000 0.967 46 Y CA -1.413 56.664 58.100 -0.038 0.000 1.255 46 Y CB 1.012 39.450 38.460 -0.036 0.000 1.103 46 Y HN 0.173 nan 8.280 nan 0.000 0.497 47 R N 1.895 122.416 120.500 0.035 0.000 2.480 47 R HA 0.234 4.574 4.340 -0.000 0.000 0.303 47 R C -0.802 175.447 176.300 -0.084 0.000 0.985 47 R CA 0.583 56.643 56.100 -0.067 0.000 1.051 47 R CB -0.124 30.163 30.300 -0.022 0.000 0.935 47 R HN 0.605 nan 8.270 nan 0.000 0.410 48 T N 4.559 118.949 114.554 -0.274 0.000 2.912 48 T HA 0.485 4.835 4.350 -0.000 0.000 0.299 48 T C -1.351 173.066 174.700 -0.472 0.000 1.052 48 T CA -0.455 61.502 62.100 -0.239 0.000 0.996 48 T CB 0.765 69.531 68.868 -0.171 0.000 1.070 48 T HN 0.382 nan 8.240 nan 0.000 0.465 49 Y N 0.132 120.352 120.300 -0.134 0.000 2.633 49 Y HA 0.698 5.248 4.550 -0.000 0.000 0.339 49 Y C 0.527 176.323 175.900 -0.173 0.000 1.045 49 Y CA -0.993 57.026 58.100 -0.135 0.000 1.098 49 Y CB 2.031 40.416 38.460 -0.124 0.000 1.296 49 Y HN 0.462 nan 8.280 nan 0.000 0.494 50 T N 2.708 117.280 114.554 0.030 0.000 2.848 50 T HA 0.580 4.930 4.350 -0.000 0.000 0.285 50 T C -0.752 173.949 174.700 0.001 0.000 0.995 50 T CA -0.682 61.396 62.100 -0.037 0.000 0.970 50 T CB 0.656 69.506 68.868 -0.030 0.000 0.976 50 T HN 0.325 nan 8.240 nan 0.000 0.441 51 L N 2.178 123.399 121.223 -0.004 0.000 2.360 51 L HA 0.831 5.171 4.340 -0.000 0.000 0.271 51 L C 0.099 177.018 176.870 0.082 0.000 1.057 51 L CA -1.022 53.809 54.840 -0.015 0.000 0.803 51 L CB 1.357 43.378 42.059 -0.063 0.000 1.207 51 L HN 0.721 nan 8.230 nan 0.000 0.445 52 A N 2.826 125.702 122.820 0.094 0.000 2.375 52 A HA 0.703 5.023 4.320 -0.000 0.000 0.291 52 A C -0.686 177.058 177.584 0.268 0.000 1.160 52 A CA -0.493 51.691 52.037 0.244 0.000 0.747 52 A CB 1.265 20.371 19.000 0.177 0.000 1.170 52 A HN 0.480 nan 8.150 nan 0.000 0.458 53 V N -0.163 120.004 119.914 0.422 0.000 3.164 53 V HA 0.971 5.091 4.120 -0.000 0.000 0.313 53 V C 0.620 176.936 176.094 0.370 0.000 1.188 53 V CA -0.562 61.910 62.300 0.287 0.000 1.058 53 V CB 1.067 32.965 31.823 0.125 0.000 1.110 53 V HN 1.390 nan 8.190 nan 0.000 0.453 54 G N 1.619 110.613 108.800 0.323 0.000 2.248 54 G HA2 0.354 4.314 3.960 -0.000 0.000 0.260 54 G HA3 0.354 4.314 3.960 -0.000 0.000 0.260 54 G C -1.015 174.092 174.900 0.345 0.000 1.214 54 G CA -0.207 45.092 45.100 0.331 0.000 0.979 54 G HN 0.776 nan 8.290 nan 0.000 0.454 55 P HA -0.099 nan 4.420 nan 0.000 0.217 55 P C 1.458 178.967 177.300 0.348 0.000 1.150 55 P CA 0.934 64.222 63.100 0.314 0.000 0.832 55 P CB 0.306 32.096 31.700 0.151 0.000 0.787 56 L N -1.402 120.055 121.223 0.391 0.000 2.607 56 L HA 0.168 4.508 4.340 -0.000 0.000 0.228 56 L C 1.040 178.095 176.870 0.309 0.000 1.123 56 L CA -0.006 55.058 54.840 0.375 0.000 0.890 56 L CB -0.290 42.028 42.059 0.432 0.000 1.103 56 L HN -0.155 nan 8.230 nan 0.000 0.468 57 S N 0.421 116.314 115.700 0.321 0.000 2.614 57 S HA 0.210 4.680 4.470 -0.000 0.000 0.265 57 S C 0.648 175.413 174.600 0.275 0.000 1.303 57 S CA -0.627 57.762 58.200 0.315 0.000 1.000 57 S CB 1.264 64.657 63.200 0.323 0.000 0.935 57 S HN 0.378 nan 8.310 nan 0.000 0.551 58 S N 1.649 117.523 115.700 0.289 0.000 2.576 58 S HA 0.115 4.585 4.470 -0.000 0.000 0.272 58 S C 0.953 175.740 174.600 0.312 0.000 1.352 58 S CA -0.582 57.793 58.200 0.291 0.000 1.021 58 S CB 0.172 63.566 63.200 0.323 0.000 0.887 58 S HN 0.665 nan 8.310 nan 0.000 0.542 59 N N 0.679 119.560 118.700 0.302 0.000 2.223 59 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 59 N C 1.394 177.104 175.510 0.333 0.000 1.016 59 N CA 1.192 54.403 53.050 0.269 0.000 0.863 59 N CB -0.329 38.295 38.487 0.227 0.000 0.983 59 N HN 0.877 nan 8.380 nan 0.000 0.429 60 W N 2.793 124.235 121.300 0.238 0.000 2.354 60 W HA -0.170 4.491 4.660 0.000 0.000 0.315 60 W C 0.964 177.611 176.519 0.212 0.000 1.206 60 W CA 1.321 58.807 57.345 0.234 0.000 1.290 60 W CB -0.419 29.160 29.460 0.197 0.000 1.152 60 W HN 0.025 nan 8.180 nan 0.000 0.489 61 D N -0.026 120.706 120.400 0.553 0.000 2.123 61 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 61 D C 2.256 178.812 176.300 0.427 0.000 0.992 61 D CA 1.793 56.130 54.000 0.561 0.000 0.833 61 D CB -0.479 40.515 40.800 0.323 0.000 0.954 61 D HN 0.219 nan 8.370 nan 0.000 0.455 62 R N 0.500 121.178 120.500 0.297 0.000 2.096 62 R HA 0.021 4.361 4.340 -0.000 0.000 0.235 62 R C 2.263 178.634 176.300 0.117 0.000 1.127 62 R CA 1.231 57.452 56.100 0.202 0.000 0.968 62 R CB -0.247 30.150 30.300 0.162 0.000 0.861 62 R HN 0.113 nan 8.270 nan 0.000 0.440 63 A N 0.485 123.354 122.820 0.083 0.000 1.898 63 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 63 A C 2.303 179.865 177.584 -0.036 0.000 1.181 63 A CA 1.344 53.384 52.037 0.005 0.000 0.620 63 A CB -0.753 18.222 19.000 -0.042 0.000 0.819 63 A HN 0.452 nan 8.150 nan 0.000 0.442 64 C N -0.645 118.602 119.300 -0.087 0.000 2.425 64 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 64 C C 2.614 177.584 174.990 -0.033 0.000 1.280 64 C CA 1.124 60.058 59.018 -0.139 0.000 1.744 64 C CB -1.275 26.339 27.740 -0.210 0.000 1.989 64 C HN 0.682 nan 8.230 nan 0.000 0.491 65 E N 1.017 121.238 120.200 0.035 0.000 2.072 65 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 65 E C 2.392 178.977 176.600 -0.025 0.000 0.982 65 E CA 1.225 57.672 56.400 0.079 0.000 0.803 65 E CB -0.238 29.576 29.700 0.191 0.000 0.755 65 E HN 0.647 nan 8.360 nan 0.000 0.453 66 A N 0.740 123.553 122.820 -0.012 0.000 1.902 66 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 66 A C 2.035 179.589 177.584 -0.050 0.000 1.181 66 A CA 1.385 53.385 52.037 -0.061 0.000 0.623 66 A CB -0.809 18.185 19.000 -0.010 0.000 0.818 66 A HN 0.408 nan 8.150 nan 0.000 0.443 67 Y N 0.722 120.969 120.300 -0.089 0.000 2.097 67 Y HA -0.183 4.367 4.550 0.000 0.000 0.282 67 Y C 2.667 178.506 175.900 -0.100 0.000 1.152 67 Y CA 1.720 59.788 58.100 -0.055 0.000 1.136 67 Y CB -0.607 37.786 38.460 -0.112 0.000 0.975 67 Y HN 0.300 nan 8.280 nan 0.000 0.498 68 A N -0.076 122.716 122.820 -0.046 0.000 1.933 68 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 68 A C 2.197 179.658 177.584 -0.205 0.000 1.175 68 A CA 1.840 53.829 52.037 -0.080 0.000 0.628 68 A CB -0.850 18.241 19.000 0.152 0.000 0.814 68 A HN 0.688 nan 8.150 nan 0.000 0.444 69 Q N -0.739 118.805 119.800 -0.427 0.000 2.124 69 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 69 Q C 1.992 177.748 176.000 -0.408 0.000 0.977 69 Q CA 1.341 56.742 55.803 -0.671 0.000 0.850 69 Q CB -0.195 28.080 28.738 -0.771 0.000 0.901 69 Q HN 0.731 nan 8.270 nan 0.000 0.429 70 L N -0.733 120.254 121.223 -0.393 0.000 2.022 70 L HA -0.110 4.230 4.340 -0.000 0.000 0.204 70 L C 2.324 178.905 176.870 -0.481 0.000 1.076 70 L CA 0.977 55.551 54.840 -0.443 0.000 0.749 70 L CB -0.465 41.314 42.059 -0.466 0.000 0.903 70 L HN 0.203 nan 8.230 nan 0.000 0.439 71 V N -2.535 117.045 119.914 -0.556 0.000 3.129 71 V HA 0.398 4.518 4.120 -0.000 0.000 0.259 71 V C 0.875 176.776 176.094 -0.321 0.000 1.116 71 V CA 0.279 62.284 62.300 -0.492 0.000 1.127 71 V CB -1.021 30.434 31.823 -0.612 0.000 0.742 71 V HN 0.519 nan 8.190 nan 0.000 0.474 72 G N -1.477 107.166 108.800 -0.262 0.000 2.712 72 G HA2 0.474 4.434 3.960 -0.000 0.000 0.686 72 G HA3 0.474 4.434 3.960 -0.000 0.000 0.686 72 G C 0.076 174.932 174.900 -0.074 0.000 1.181 72 G CA -0.439 44.587 45.100 -0.123 0.000 0.762 72 G HN 2.353 nan 8.290 nan 0.000 0.641 73 G N -0.816 107.986 108.800 0.003 0.000 2.343 73 G HA2 0.526 4.486 3.960 -0.000 0.000 0.562 73 G HA3 0.526 4.486 3.960 -0.000 0.000 0.562 73 G C -0.264 174.666 174.900 0.049 0.000 1.269 73 G CA 0.410 45.516 45.100 0.009 0.000 1.011 73 G HN 1.906 nan 8.290 nan 0.000 0.498 74 T N 0.764 115.330 114.554 0.020 0.000 2.771 74 T HA 0.506 4.856 4.350 -0.000 0.000 0.291 74 T C 0.855 175.616 174.700 0.101 0.000 0.954 74 T CA -0.205 61.910 62.100 0.024 0.000 1.045 74 T CB 1.486 70.312 68.868 -0.070 0.000 0.917 74 T HN 0.943 nan 8.240 nan 0.000 0.484 75 V N 4.076 124.051 119.914 0.102 0.000 2.617 75 V HA 0.050 4.170 4.120 -0.000 0.000 0.304 75 V C 0.541 176.639 176.094 0.006 0.000 1.040 75 V CA 0.269 62.570 62.300 0.002 0.000 1.149 75 V CB 0.341 32.099 31.823 -0.109 0.000 0.914 75 V HN 0.834 nan 8.190 nan 0.000 0.487 76 D N 3.731 124.102 120.400 -0.048 0.000 2.469 76 D HA 0.285 4.925 4.640 -0.000 0.000 0.251 76 D C -0.030 176.277 176.300 0.011 0.000 1.173 76 D CA -0.489 53.564 54.000 0.089 0.000 0.882 76 D CB 1.077 42.035 40.800 0.263 0.000 1.129 76 D HN 0.445 nan 8.370 nan 0.000 0.549 77 Y N 2.128 122.575 120.300 0.244 0.000 2.529 77 Y HA 0.310 4.860 4.550 0.000 0.000 0.290 77 Y C 1.587 177.756 175.900 0.448 0.000 1.177 77 Y CA 0.601 58.923 58.100 0.370 0.000 1.305 77 Y CB 0.128 38.829 38.460 0.401 0.000 1.047 77 Y HN 0.610 nan 8.280 nan 0.000 0.522 78 G N -0.218 108.831 108.800 0.414 0.000 3.209 78 G HA2 0.064 4.024 3.960 -0.000 0.000 0.686 78 G HA3 0.064 4.024 3.960 -0.000 0.000 0.686 78 G C 0.651 175.504 174.900 -0.078 0.000 1.065 78 G CA -0.518 44.654 45.100 0.121 0.000 0.812 78 G HN 0.441 nan 8.290 nan 0.000 0.573 79 A N 1.714 124.427 122.820 -0.177 0.000 1.940 79 A HA 0.273 4.593 4.320 -0.000 0.000 0.219 79 A C 2.841 179.937 177.584 -0.812 0.000 1.176 79 A CA 3.084 54.913 52.037 -0.348 0.000 0.631 79 A CB -0.581 18.339 19.000 -0.132 0.000 0.814 79 A HN 2.462 nan 8.150 nan 0.000 0.446 80 A N -1.053 121.173 122.820 -0.990 0.000 1.872 80 A HA -0.090 4.230 4.320 -0.000 0.000 0.214 80 A C 2.000 179.184 177.584 -0.667 0.000 1.187 80 A CA 1.862 53.198 52.037 -1.168 0.000 0.614 80 A CB -0.893 17.672 19.000 -0.725 0.000 0.826 80 A HN 0.775 nan 8.150 nan 0.000 0.442 81 H N -0.041 118.690 119.070 -0.564 0.000 2.319 81 H HA -0.020 4.536 4.556 0.000 0.000 0.299 81 H C 2.167 177.209 175.328 -0.475 0.000 1.092 81 H CA 2.205 57.953 56.048 -0.502 0.000 1.302 81 H CB -0.192 29.306 29.762 -0.439 0.000 1.373 81 H HN 0.389 nan 8.280 nan 0.000 0.497 82 A N 0.831 123.454 122.820 -0.328 0.000 1.902 82 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 82 A C 2.599 179.877 177.584 -0.510 0.000 1.181 82 A CA 1.770 53.486 52.037 -0.534 0.000 0.623 82 A CB -1.370 17.454 19.000 -0.293 0.000 0.818 82 A HN 0.649 nan 8.150 nan 0.000 0.443 83 A N -0.301 122.246 122.820 -0.454 0.000 1.930 83 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 83 A C 2.129 179.487 177.584 -0.378 0.000 1.175 83 A CA 1.986 53.809 52.037 -0.357 0.000 0.627 83 A CB -0.423 18.375 19.000 -0.337 0.000 0.815 83 A HN 0.572 nan 8.150 nan 0.000 0.443 84 K N -1.314 118.769 120.400 -0.528 0.000 2.057 84 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 84 K C 1.564 177.757 176.600 -0.677 0.000 1.050 84 K CA 1.511 57.428 56.287 -0.618 0.000 0.935 84 K CB -0.195 31.814 32.500 -0.819 0.000 0.715 84 K HN 0.629 nan 8.250 nan 0.000 0.439 85 H N -1.346 117.444 119.070 -0.466 0.000 2.575 85 H HA 0.162 4.718 4.556 -0.000 0.000 0.267 85 H C 0.781 176.025 175.328 -0.139 0.000 0.966 85 H CA 0.844 56.705 56.048 -0.312 0.000 1.165 85 H CB 0.989 30.500 29.762 -0.419 0.000 1.433 85 H HN 0.505 nan 8.280 nan 0.000 0.544 86 G N 2.011 110.708 108.800 -0.172 0.000 2.212 86 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.255 86 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.255 86 G C -0.203 174.682 174.900 -0.025 0.000 1.062 86 G CA 0.622 45.695 45.100 -0.044 0.000 0.815 86 G HN 0.710 nan 8.290 nan 0.000 0.497 87 H N -2.204 116.694 119.070 -0.287 0.000 2.908 87 H HA 0.887 5.443 4.556 -0.000 0.000 0.350 87 H C 0.352 175.514 175.328 -0.277 0.000 1.217 87 H CA -0.531 55.246 56.048 -0.453 0.000 1.168 87 H CB 0.780 29.759 29.762 -1.305 0.000 1.891 87 H HN 0.873 nan 8.280 nan 0.000 0.566 88 A N 0.901 123.776 122.820 0.093 0.000 2.520 88 A HA 0.137 4.457 4.320 -0.000 0.000 0.235 88 A C 1.613 179.316 177.584 0.197 0.000 1.065 88 A CA 0.221 52.329 52.037 0.118 0.000 0.764 88 A CB -0.072 19.012 19.000 0.140 0.000 1.002 88 A HN 0.921 nan 8.150 nan 0.000 0.502 89 R N 0.474 120.977 120.500 0.006 0.000 2.093 89 R HA 0.038 4.378 4.340 -0.000 0.000 0.224 89 R C -0.690 175.522 176.300 -0.146 0.000 1.101 89 R CA 0.794 56.800 56.100 -0.156 0.000 0.979 89 R CB -0.050 29.904 30.300 -0.577 0.000 0.877 89 R HN 0.601 nan 8.270 nan 0.000 0.441 90 F N -0.417 119.688 119.950 0.258 0.000 2.443 90 F HA 0.515 5.042 4.527 0.000 0.000 0.335 90 F C 0.996 176.922 175.800 0.210 0.000 1.104 90 F CA -0.734 57.372 58.000 0.177 0.000 1.013 90 F CB 1.732 40.795 39.000 0.105 0.000 1.136 90 F HN -0.003 nan 8.300 nan 0.000 0.470 91 G N 1.840 110.839 108.800 0.332 0.000 2.940 91 G HA2 0.487 4.447 3.960 -0.000 0.000 0.164 91 G HA3 0.487 4.447 3.960 -0.000 0.000 0.164 91 G C -0.399 174.587 174.900 0.142 0.000 1.326 91 G CA -0.975 44.295 45.100 0.283 0.000 1.020 91 G HN 0.675 nan 8.290 nan 0.000 0.586 92 R N -1.420 119.112 120.500 0.054 0.000 2.652 92 R HA 0.531 4.871 4.340 -0.000 0.000 0.271 92 R C -0.969 175.198 176.300 -0.222 0.000 1.129 92 R CA -0.165 55.869 56.100 -0.110 0.000 1.200 92 R CB 0.151 30.321 30.300 -0.216 0.000 1.146 92 R HN 0.262 nan 8.270 nan 0.000 0.581 93 T N 1.059 115.439 114.554 -0.291 0.000 2.797 93 T HA 0.393 4.743 4.350 -0.000 0.000 0.279 93 T C -1.276 173.208 174.700 -0.360 0.000 0.991 93 T CA -0.300 61.664 62.100 -0.226 0.000 0.979 93 T CB 0.543 69.341 68.868 -0.117 0.000 0.943 93 T HN 0.366 nan 8.240 nan 0.000 0.444 94 Y N 2.866 123.153 120.300 -0.022 0.000 2.468 94 Y HA 0.369 4.919 4.550 -0.000 0.000 0.342 94 Y C -1.429 174.439 175.900 -0.054 0.000 1.021 94 Y CA -2.342 55.738 58.100 -0.033 0.000 1.079 94 Y CB 1.566 39.999 38.460 -0.045 0.000 1.226 94 Y HN 0.403 nan 8.280 nan 0.000 0.460 95 P HA 0.105 nan 4.420 nan 0.000 0.224 95 P C -0.043 177.249 177.300 -0.014 0.000 1.157 95 P CA 1.245 64.362 63.100 0.029 0.000 0.799 95 P CB 0.737 32.450 31.700 0.022 0.000 0.809 96 G N 0.131 108.917 108.800 -0.023 0.000 3.421 96 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 96 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 96 G C 0.142 174.941 174.900 -0.169 0.000 1.056 96 G CA -0.513 44.509 45.100 -0.130 0.000 0.891 96 G HN 0.156 nan 8.290 nan 0.000 0.514 97 L N 1.280 122.353 121.223 -0.250 0.000 2.131 97 L HA 0.243 4.583 4.340 -0.000 0.000 0.206 97 L C 1.473 178.091 176.870 -0.420 0.000 1.087 97 L CA 1.091 55.738 54.840 -0.322 0.000 0.767 97 L CB -0.059 41.745 42.059 -0.426 0.000 0.917 97 L HN 0.499 nan 8.230 nan 0.000 0.441 98 L N 0.532 121.495 121.223 -0.433 0.000 2.502 98 L HA 0.231 4.571 4.340 -0.000 0.000 0.249 98 L C -1.667 174.989 176.870 -0.358 0.000 1.446 98 L CA -0.947 53.642 54.840 -0.418 0.000 0.887 98 L CB 1.244 42.991 42.059 -0.521 0.000 1.126 98 L HN -0.168 nan 8.230 nan 0.000 0.509 99 P HA -0.206 nan 4.420 nan 0.000 0.221 99 P C 0.976 178.152 177.300 -0.208 0.000 1.145 99 P CA 1.132 64.095 63.100 -0.229 0.000 0.795 99 P CB 0.245 31.849 31.700 -0.160 0.000 0.775 100 E N 0.695 120.777 120.200 -0.197 0.000 2.401 100 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 100 E C 1.899 178.391 176.600 -0.180 0.000 1.023 100 E CA 0.607 56.913 56.400 -0.156 0.000 0.859 100 E CB -1.141 28.481 29.700 -0.130 0.000 0.780 100 E HN 0.334 nan 8.360 nan 0.000 0.523 101 L N 0.479 121.530 121.223 -0.287 0.000 2.265 101 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 101 L C 2.261 179.026 176.870 -0.175 0.000 1.117 101 L CA 1.148 55.780 54.840 -0.348 0.000 0.782 101 L CB -0.322 41.269 42.059 -0.780 0.000 0.914 101 L HN 0.039 nan 8.230 nan 0.000 0.441 102 K N 0.055 120.363 120.400 -0.153 0.000 2.459 102 K HA 0.039 4.359 4.320 -0.000 0.000 0.193 102 K C 1.205 177.791 176.600 -0.023 0.000 1.030 102 K CA 0.378 56.624 56.287 -0.068 0.000 1.026 102 K CB 0.243 32.690 32.500 -0.088 0.000 0.809 102 K HN 0.299 nan 8.250 nan 0.000 0.504 103 R N -0.855 119.622 120.500 -0.037 0.000 2.565 103 R HA 0.141 4.481 4.340 -0.000 0.000 0.347 103 R C 0.551 176.851 176.300 -0.001 0.000 1.010 103 R CA 0.311 56.403 56.100 -0.014 0.000 1.126 103 R CB 1.463 31.746 30.300 -0.029 0.000 1.331 103 R HN 0.263 nan 8.270 nan 0.000 0.552 104 G N 0.087 108.892 108.800 0.008 0.000 2.296 104 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.188 104 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.188 104 G C 0.451 175.354 174.900 0.004 0.000 1.000 104 G CA -0.503 44.613 45.100 0.027 0.000 0.672 104 G HN 0.440 nan 8.290 nan 0.000 0.483 105 G N 0.017 108.788 108.800 -0.048 0.000 2.594 105 G HA2 0.565 4.525 3.960 -0.000 0.000 0.243 105 G HA3 0.565 4.525 3.960 -0.000 0.000 0.243 105 G C 0.108 174.949 174.900 -0.098 0.000 1.229 105 G CA 0.049 45.099 45.100 -0.084 0.000 0.843 105 G HN 0.523 nan 8.290 nan 0.000 0.578 106 R N -0.599 119.835 120.500 -0.111 0.000 2.885 106 R HA 0.696 5.036 4.340 -0.000 0.000 0.260 106 R C -0.441 175.744 176.300 -0.192 0.000 1.107 106 R CA -0.799 55.229 56.100 -0.121 0.000 0.978 106 R CB 2.027 32.276 30.300 -0.085 0.000 1.227 106 R HN 0.671 nan 8.270 nan 0.000 0.473 107 I N -2.900 117.550 120.570 -0.200 0.000 3.195 107 I HA 0.539 4.709 4.170 -0.000 0.000 0.313 107 I C -1.026 174.911 176.117 -0.300 0.000 1.237 107 I CA -1.096 60.068 61.300 -0.226 0.000 0.963 107 I CB 2.564 40.478 38.000 -0.143 0.000 1.278 107 I HN 0.359 nan 8.210 nan 0.000 0.460 108 H N 2.438 121.490 119.070 -0.029 0.000 2.621 108 H HA 0.672 5.228 4.556 -0.000 0.000 0.360 108 H C -1.076 174.225 175.328 -0.045 0.000 1.163 108 H CA -0.634 55.388 56.048 -0.044 0.000 1.194 108 H CB 2.765 32.493 29.762 -0.056 0.000 1.649 108 H HN 0.472 nan 8.280 nan 0.000 0.532 109 I N 3.257 123.879 120.570 0.087 0.000 2.436 109 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 109 I C -0.149 175.995 176.117 0.045 0.000 1.010 109 I CA -0.436 60.888 61.300 0.040 0.000 1.098 109 I CB 1.853 39.881 38.000 0.046 0.000 1.266 109 I HN 0.261 nan 8.210 nan 0.000 0.434 110 I N 5.854 126.416 120.570 -0.014 0.000 2.328 110 I HA 0.538 4.708 4.170 -0.000 0.000 0.287 110 I C 0.052 176.225 176.117 0.094 0.000 1.012 110 I CA -0.276 61.032 61.300 0.013 0.000 1.195 110 I CB 1.502 39.432 38.000 -0.117 0.000 1.350 110 I HN 0.598 nan 8.210 nan 0.000 0.464 111 A N 6.535 129.523 122.820 0.280 0.000 2.365 111 A HA 0.541 4.861 4.320 -0.000 0.000 0.318 111 A C -1.128 176.778 177.584 0.536 0.000 1.091 111 A CA -0.493 51.788 52.037 0.406 0.000 0.763 111 A CB 1.144 20.306 19.000 0.270 0.000 1.248 111 A HN 0.805 nan 8.150 nan 0.000 0.442 112 H N 1.947 121.301 119.070 0.472 0.000 2.529 112 H HA 0.578 5.134 4.556 0.000 0.000 0.348 112 H C 0.703 176.113 175.328 0.137 0.000 1.152 112 H CA 0.613 56.810 56.048 0.248 0.000 1.202 112 H CB 1.605 31.383 29.762 0.026 0.000 1.562 112 H HN 1.142 nan 8.280 nan 0.000 0.515 113 S N 2.030 117.403 115.700 -0.544 0.000 3.762 113 S HA -0.333 4.137 4.470 -0.000 0.000 0.627 113 S C 1.547 176.106 174.600 -0.068 0.000 2.389 113 S CA 1.556 59.551 58.200 -0.342 0.000 3.978 113 S CB -1.125 61.814 63.200 -0.435 0.000 0.234 113 S HN 0.926 nan 8.310 nan 0.000 0.960 114 Q N 0.671 120.480 119.800 0.016 0.000 2.439 114 Q HA -0.047 4.293 4.340 -0.000 0.000 0.211 114 Q C 2.121 178.147 176.000 0.044 0.000 0.978 114 Q CA 1.101 56.926 55.803 0.037 0.000 0.897 114 Q CB -0.861 27.933 28.738 0.093 0.000 0.956 114 Q HN 0.768 nan 8.270 nan 0.000 0.483 115 G N -0.166 108.664 108.800 0.050 0.000 2.479 115 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 115 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 115 G C 1.193 176.160 174.900 0.112 0.000 1.115 115 G CA 0.749 45.889 45.100 0.066 0.000 0.757 115 G HN 0.495 nan 8.290 nan 0.000 0.560 116 G N -0.008 108.856 108.800 0.107 0.000 2.422 116 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.218 116 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.218 116 G C 1.741 176.761 174.900 0.199 0.000 1.140 116 G CA 0.853 46.060 45.100 0.178 0.000 0.775 116 G HN 0.507 nan 8.290 nan 0.000 0.545 117 Q N -0.190 119.662 119.800 0.086 0.000 2.079 117 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 117 Q C 2.855 178.924 176.000 0.116 0.000 0.974 117 Q CA 1.624 57.491 55.803 0.106 0.000 0.840 117 Q CB -0.242 28.532 28.738 0.059 0.000 0.898 117 Q HN 0.409 nan 8.270 nan 0.000 0.430 118 T N 1.029 115.646 114.554 0.104 0.000 2.708 118 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 118 T C 1.927 176.681 174.700 0.091 0.000 1.037 118 T CA 1.258 63.413 62.100 0.092 0.000 1.146 118 T CB -0.318 68.589 68.868 0.065 0.000 0.865 118 T HN 0.388 nan 8.240 nan 0.000 0.435 119 A N 1.861 124.753 122.820 0.120 0.000 1.883 119 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 119 A C 2.385 180.056 177.584 0.145 0.000 1.186 119 A CA 1.639 53.751 52.037 0.126 0.000 0.624 119 A CB -0.567 18.533 19.000 0.166 0.000 0.822 119 A HN 0.416 nan 8.150 nan 0.000 0.444 120 R N -1.452 119.184 120.500 0.227 0.000 2.083 120 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 120 R C 2.361 178.710 176.300 0.082 0.000 1.137 120 R CA 1.791 58.039 56.100 0.246 0.000 0.951 120 R CB -0.385 30.093 30.300 0.297 0.000 0.851 120 R HN 0.663 nan 8.270 nan 0.000 0.434 121 M N 0.515 120.125 119.600 0.017 0.000 2.159 121 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 121 M C 2.029 178.314 176.300 -0.025 0.000 1.063 121 M CA 1.316 56.572 55.300 -0.073 0.000 1.110 121 M CB -0.004 32.580 32.600 -0.027 0.000 1.374 121 M HN 0.176 nan 8.290 nan 0.000 0.411 122 L N -0.035 121.183 121.223 -0.008 0.000 2.046 122 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 122 L C 2.016 178.830 176.870 -0.093 0.000 1.077 122 L CA 1.579 56.389 54.840 -0.050 0.000 0.747 122 L CB -0.743 41.304 42.059 -0.020 0.000 0.896 122 L HN 0.131 nan 8.230 nan 0.000 0.432 123 V N -0.963 118.918 119.914 -0.055 0.000 2.343 123 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 123 V C 2.776 178.863 176.094 -0.013 0.000 1.051 123 V CA 1.817 64.079 62.300 -0.064 0.000 1.036 123 V CB -0.738 31.095 31.823 0.016 0.000 0.654 123 V HN 0.663 nan 8.190 nan 0.000 0.451 124 S N -0.430 115.282 115.700 0.020 0.000 2.359 124 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 124 S C 1.964 176.631 174.600 0.112 0.000 1.035 124 S CA 1.766 60.000 58.200 0.058 0.000 1.018 124 S CB -0.322 62.866 63.200 -0.020 0.000 0.876 124 S HN 0.497 nan 8.310 nan 0.000 0.448 125 L N 0.784 122.063 121.223 0.093 0.000 2.056 125 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 125 L C 2.506 179.373 176.870 -0.004 0.000 1.078 125 L CA 1.032 55.926 54.840 0.091 0.000 0.749 125 L CB -0.517 41.531 42.059 -0.018 0.000 0.901 125 L HN 0.348 nan 8.230 nan 0.000 0.433 126 L N -0.342 120.830 121.223 -0.085 0.000 2.012 126 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 126 L C 2.639 179.519 176.870 0.016 0.000 1.073 126 L CA 1.586 56.373 54.840 -0.089 0.000 0.748 126 L CB -0.441 41.455 42.059 -0.272 0.000 0.891 126 L HN 0.338 nan 8.230 nan 0.000 0.431 127 E N -0.031 120.181 120.200 0.020 0.000 2.047 127 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 127 E C 1.530 178.157 176.600 0.045 0.000 0.987 127 E CA 1.300 57.725 56.400 0.042 0.000 0.799 127 E CB 0.226 29.961 29.700 0.057 0.000 0.752 127 E HN 0.484 nan 8.360 nan 0.000 0.449 128 N N -0.627 118.124 118.700 0.085 0.000 2.227 128 N HA 0.112 4.852 4.740 -0.000 0.000 0.196 128 N C 0.792 176.379 175.510 0.128 0.000 1.142 128 N CA 0.717 53.830 53.050 0.105 0.000 0.887 128 N CB 1.308 39.884 38.487 0.149 0.000 1.022 128 N HN 0.254 nan 8.380 nan 0.000 0.500 129 G N 1.301 110.189 108.800 0.146 0.000 2.564 129 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.273 129 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.273 129 G C -0.460 174.601 174.900 0.268 0.000 1.242 129 G CA 0.196 45.417 45.100 0.200 0.000 0.951 129 G HN 0.421 nan 8.290 nan 0.000 0.564 130 S N -1.094 114.770 115.700 0.273 0.000 2.736 130 S HA 0.531 5.001 4.470 -0.000 0.000 0.285 130 S C 0.706 175.367 174.600 0.102 0.000 1.163 130 S CA 0.809 59.119 58.200 0.183 0.000 1.025 130 S CB 1.628 64.941 63.200 0.188 0.000 1.030 130 S HN 1.030 nan 8.310 nan 0.000 0.486 131 Q N 2.997 122.834 119.800 0.061 0.000 2.119 131 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 131 Q C 1.624 177.638 176.000 0.023 0.000 0.972 131 Q CA 1.978 57.807 55.803 0.044 0.000 0.847 131 Q CB -0.184 28.572 28.738 0.030 0.000 0.903 131 Q HN 0.916 nan 8.270 nan 0.000 0.433 132 E N -0.247 119.942 120.200 -0.020 0.000 2.085 132 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 132 E C 1.737 178.333 176.600 -0.007 0.000 0.994 132 E CA 1.270 57.649 56.400 -0.034 0.000 0.801 132 E CB 0.122 29.752 29.700 -0.117 0.000 0.743 132 E HN 0.370 nan 8.360 nan 0.000 0.453 133 E N 0.501 120.665 120.200 -0.060 0.000 2.072 133 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 133 E C 2.199 178.845 176.600 0.077 0.000 0.985 133 E CA 0.785 57.138 56.400 -0.079 0.000 0.801 133 E CB -0.207 29.286 29.700 -0.345 0.000 0.750 133 E HN 0.312 nan 8.360 nan 0.000 0.452 134 R N 0.744 121.302 120.500 0.097 0.000 2.081 134 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 134 R C 2.295 178.662 176.300 0.112 0.000 1.131 134 R CA 1.296 57.469 56.100 0.121 0.000 0.960 134 R CB -0.171 30.193 30.300 0.105 0.000 0.856 134 R HN 0.311 nan 8.270 nan 0.000 0.436 135 E N -0.274 119.984 120.200 0.097 0.000 2.047 135 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 135 E C 1.804 178.477 176.600 0.121 0.000 0.987 135 E CA 1.074 57.524 56.400 0.083 0.000 0.799 135 E CB -0.273 29.462 29.700 0.058 0.000 0.752 135 E HN 0.317 nan 8.360 nan 0.000 0.449 136 Y N 1.692 122.023 120.300 0.051 0.000 2.128 136 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 136 Y C 2.370 178.378 175.900 0.180 0.000 1.154 136 Y CA 1.620 59.797 58.100 0.129 0.000 1.149 136 Y CB -0.407 38.066 38.460 0.022 0.000 0.976 136 Y HN 0.014 nan 8.280 nan 0.000 0.505 137 A N 0.014 123.030 122.820 0.325 0.000 1.908 137 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 137 A C 2.292 179.958 177.584 0.137 0.000 1.181 137 A CA 2.087 54.271 52.037 0.245 0.000 0.627 137 A CB -0.778 18.346 19.000 0.207 0.000 0.818 137 A HN 0.538 nan 8.150 nan 0.000 0.445 138 K N -0.481 119.973 120.400 0.089 0.000 2.001 138 K HA -0.035 4.285 4.320 -0.000 0.000 0.208 138 K C 2.121 178.701 176.600 -0.033 0.000 1.048 138 K CA 1.191 57.497 56.287 0.033 0.000 0.932 138 K CB -0.338 32.178 32.500 0.026 0.000 0.715 138 K HN 0.348 nan 8.250 nan 0.000 0.437 139 A N 0.317 123.079 122.820 -0.098 0.000 2.070 139 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 139 A C 1.292 178.602 177.584 -0.457 0.000 1.159 139 A CA 1.235 53.107 52.037 -0.275 0.000 0.656 139 A CB -0.466 18.317 19.000 -0.360 0.000 0.800 139 A HN 0.434 nan 8.150 nan 0.000 0.453 140 H N -2.019 116.931 119.070 -0.200 0.000 2.594 140 H HA 0.127 4.683 4.556 -0.000 0.000 0.279 140 H C 0.115 175.412 175.328 -0.051 0.000 1.042 140 H CA 0.174 56.119 56.048 -0.172 0.000 1.177 140 H CB -0.107 29.479 29.762 -0.294 0.000 1.524 140 H HN 0.638 nan 8.280 nan 0.000 0.537 141 N N 1.131 119.860 118.700 0.049 0.000 2.725 141 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 141 N C -0.701 174.871 175.510 0.104 0.000 1.031 141 N CA 0.595 53.682 53.050 0.061 0.000 0.720 141 N CB -0.804 37.705 38.487 0.036 0.000 0.930 141 N HN 0.204 nan 8.380 nan 0.000 0.543 142 V N -2.338 117.660 119.914 0.141 0.000 3.001 142 V HA 0.831 4.951 4.120 -0.000 0.000 0.314 142 V C 0.830 177.026 176.094 0.170 0.000 1.099 142 V CA -0.407 61.992 62.300 0.164 0.000 0.989 142 V CB 1.693 33.635 31.823 0.197 0.000 1.040 142 V HN 0.332 nan 8.190 nan 0.000 0.434 143 S N 2.477 118.286 115.700 0.181 0.000 2.587 143 S HA 0.564 5.034 4.470 -0.000 0.000 0.260 143 S C -0.484 174.243 174.600 0.211 0.000 1.353 143 S CA -0.232 58.078 58.200 0.183 0.000 0.995 143 S CB 0.953 64.269 63.200 0.192 0.000 0.912 143 S HN 1.494 nan 8.310 nan 0.000 0.568 144 L N 1.260 122.605 121.223 0.204 0.000 2.409 144 L HA 0.571 4.911 4.340 -0.000 0.000 0.272 144 L C -0.015 176.988 176.870 0.221 0.000 0.980 144 L CA -0.209 54.778 54.840 0.245 0.000 0.826 144 L CB 2.035 44.229 42.059 0.225 0.000 1.268 144 L HN 0.932 nan 8.230 nan 0.000 0.407 145 S N 5.089 120.939 115.700 0.250 0.000 2.549 145 S HA 0.289 4.759 4.470 -0.000 0.000 0.286 145 S C -1.689 172.867 174.600 -0.074 0.000 1.314 145 S CA -0.554 57.665 58.200 0.032 0.000 1.062 145 S CB 0.872 63.949 63.200 -0.205 0.000 0.865 145 S HN 0.667 nan 8.310 nan 0.000 0.498 146 P HA -0.094 nan 4.420 nan 0.000 0.219 146 P C 1.465 178.666 177.300 -0.166 0.000 1.146 146 P CA 0.450 63.539 63.100 -0.019 0.000 0.808 146 P CB 0.050 31.732 31.700 -0.030 0.000 0.779 147 L N -1.566 119.270 121.223 -0.644 0.000 2.127 147 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 147 L C 1.514 178.063 176.870 -0.536 0.000 1.089 147 L CA 1.943 56.235 54.840 -0.914 0.000 0.757 147 L CB -1.180 39.920 42.059 -1.598 0.000 0.899 147 L HN -0.108 nan 8.230 nan 0.000 0.434 148 F N -0.604 119.289 119.950 -0.095 0.000 2.765 148 F HA 0.139 4.667 4.527 0.000 0.000 0.302 148 F C 2.133 177.959 175.800 0.043 0.000 1.111 148 F CA 0.015 58.008 58.000 -0.012 0.000 1.359 148 F CB -0.659 38.358 39.000 0.028 0.000 1.097 148 F HN 0.203 nan 8.300 nan 0.000 0.577 149 E N 0.391 120.698 120.200 0.179 0.000 2.112 149 E HA 0.232 4.582 4.350 -0.000 0.000 0.190 149 E C 1.475 178.104 176.600 0.047 0.000 0.979 149 E CA 0.623 57.100 56.400 0.129 0.000 0.814 149 E CB -0.196 29.588 29.700 0.140 0.000 0.762 149 E HN 0.316 nan 8.360 nan 0.000 0.460 150 G N -0.462 108.352 108.800 0.024 0.000 2.710 150 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.668 150 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.668 150 G C 0.543 175.275 174.900 -0.280 0.000 1.320 150 G CA -0.413 44.660 45.100 -0.043 0.000 0.860 150 G HN 0.719 nan 8.290 nan 0.000 0.538 151 G N -1.215 107.469 108.800 -0.193 0.000 2.176 151 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.252 151 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.252 151 G C 0.213 174.921 174.900 -0.321 0.000 1.024 151 G CA 1.744 46.701 45.100 -0.238 0.000 0.755 151 G HN 1.713 nan 8.290 nan 0.000 0.507 152 H N -1.007 118.080 119.070 0.028 0.000 2.731 152 H HA 0.825 5.381 4.556 -0.000 0.000 0.368 152 H C -0.191 175.167 175.328 0.050 0.000 1.168 152 H CA -0.609 55.463 56.048 0.039 0.000 1.181 152 H CB 1.996 31.764 29.762 0.009 0.000 1.743 152 H HN 0.348 nan 8.280 nan 0.000 0.547 153 H N 2.511 121.627 119.070 0.077 0.000 3.163 153 H HA 0.067 4.623 4.556 -0.000 0.000 0.322 153 H C -1.634 173.729 175.328 0.058 0.000 1.047 153 H CA -0.622 55.404 56.048 -0.037 0.000 1.418 153 H CB 0.608 30.365 29.762 -0.008 0.000 2.016 153 H HN 0.852 nan 8.280 nan 0.000 0.454 154 F N 2.934 122.559 119.950 -0.541 0.000 3.022 154 F HA 0.386 4.913 4.527 0.000 0.000 0.351 154 F C -1.564 173.961 175.800 -0.459 0.000 1.170 154 F CA -0.378 57.356 58.000 -0.442 0.000 1.066 154 F CB 0.169 39.046 39.000 -0.205 0.000 1.297 154 F HN 0.085 nan 8.300 nan 0.000 0.519 155 V N 3.394 123.072 119.914 -0.393 0.000 2.313 155 V HA 0.179 4.299 4.120 -0.000 0.000 0.278 155 V C 0.710 176.674 176.094 -0.216 0.000 1.017 155 V CA -0.492 61.689 62.300 -0.199 0.000 0.823 155 V CB 1.303 33.022 31.823 -0.174 0.000 1.010 155 V HN 0.441 nan 8.190 nan 0.000 0.443 156 L N 5.003 126.143 121.223 -0.138 0.000 2.068 156 L HA 0.193 4.533 4.340 -0.000 0.000 0.204 156 L C 1.137 178.081 176.870 0.124 0.000 1.076 156 L CA 1.714 56.569 54.840 0.025 0.000 0.753 156 L CB 0.147 42.179 42.059 -0.045 0.000 0.910 156 L HN 0.802 nan 8.230 nan 0.000 0.439 157 S N -1.954 113.829 115.700 0.139 0.000 2.564 157 S HA 0.734 5.204 4.470 -0.000 0.000 0.274 157 S C -1.051 173.537 174.600 -0.020 0.000 1.124 157 S CA -0.720 57.536 58.200 0.093 0.000 0.869 157 S CB 1.868 65.178 63.200 0.183 0.000 1.105 157 S HN -0.109 nan 8.310 nan 0.000 0.472 158 V N 1.811 121.622 119.914 -0.172 0.000 2.525 158 V HA 0.614 4.734 4.120 -0.000 0.000 0.299 158 V C -0.554 175.562 176.094 0.038 0.000 1.034 158 V CA -0.388 61.864 62.300 -0.082 0.000 0.863 158 V CB 1.892 33.619 31.823 -0.160 0.000 0.999 158 V HN 1.053 nan 8.190 nan 0.000 0.423 159 T N 3.275 117.915 114.554 0.142 0.000 2.792 159 T HA 0.581 4.931 4.350 -0.000 0.000 0.280 159 T C 0.046 174.965 174.700 0.365 0.000 0.990 159 T CA -0.417 61.838 62.100 0.258 0.000 0.960 159 T CB 1.415 70.405 68.868 0.204 0.000 0.939 159 T HN 0.894 nan 8.240 nan 0.000 0.439 160 T N 1.208 116.067 114.554 0.508 0.000 2.855 160 T HA 0.799 5.149 4.350 -0.000 0.000 0.281 160 T C -0.423 174.572 174.700 0.492 0.000 1.007 160 T CA -0.837 61.562 62.100 0.499 0.000 1.009 160 T CB 0.610 69.855 68.868 0.627 0.000 0.983 160 T HN 0.460 nan 8.240 nan 0.000 0.455 161 I N 2.152 122.963 120.570 0.402 0.000 2.439 161 I HA 0.549 4.719 4.170 -0.000 0.000 0.285 161 I C 0.750 177.024 176.117 0.261 0.000 1.021 161 I CA -1.138 60.388 61.300 0.375 0.000 1.091 161 I CB 1.581 39.810 38.000 0.380 0.000 1.242 161 I HN 1.085 nan 8.210 nan 0.000 0.439 162 A N 3.462 126.409 122.820 0.212 0.000 2.832 162 A HA -0.164 4.156 4.320 -0.000 0.000 0.280 162 A C 0.483 178.119 177.584 0.087 0.000 1.464 162 A CA 0.975 53.103 52.037 0.150 0.000 0.804 162 A CB -2.444 16.638 19.000 0.137 0.000 1.020 162 A HN 0.671 nan 8.150 nan 0.000 0.563 163 T N 2.273 116.830 114.554 0.004 0.000 2.832 163 T HA 0.485 4.835 4.350 -0.000 0.000 0.296 163 T C -1.987 172.555 174.700 -0.264 0.000 0.968 163 T CA -0.431 61.554 62.100 -0.190 0.000 1.107 163 T CB 1.185 69.788 68.868 -0.443 0.000 0.916 163 T HN 0.364 nan 8.240 nan 0.000 0.517 164 P HA 0.166 nan 4.420 nan 0.000 0.225 164 P C 0.648 177.860 177.300 -0.146 0.000 1.813 164 P CA -0.305 62.725 63.100 -0.117 0.000 1.013 164 P CB 0.033 31.708 31.700 -0.041 0.000 1.961 165 H N 0.661 119.674 119.070 -0.095 0.000 2.421 165 H HA -0.067 4.489 4.556 -0.000 0.000 0.298 165 H C 0.505 175.770 175.328 -0.106 0.000 1.087 165 H CA 1.420 57.381 56.048 -0.146 0.000 1.330 165 H CB 0.075 29.655 29.762 -0.304 0.000 1.388 165 H HN 0.374 nan 8.280 nan 0.000 0.526 166 D N -0.424 119.992 120.400 0.027 0.000 2.462 166 D HA 0.251 4.891 4.640 -0.000 0.000 0.221 166 D C 1.129 177.537 176.300 0.181 0.000 1.173 166 D CA 0.627 54.680 54.000 0.089 0.000 0.831 166 D CB 0.922 41.775 40.800 0.089 0.000 1.001 166 D HN 0.434 nan 8.370 nan 0.000 0.499 167 G N 0.449 109.302 108.800 0.087 0.000 2.760 167 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.246 167 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.246 167 G C -0.352 174.642 174.900 0.156 0.000 1.359 167 G CA -0.274 44.875 45.100 0.081 0.000 0.861 167 G HN 0.238 nan 8.290 nan 0.000 0.541 168 T N -1.775 112.840 114.554 0.101 0.000 2.916 168 T HA 0.648 4.998 4.350 -0.000 0.000 0.298 168 T C 1.602 176.336 174.700 0.056 0.000 1.031 168 T CA 1.113 63.291 62.100 0.131 0.000 0.993 168 T CB 1.225 70.117 68.868 0.041 0.000 1.045 168 T HN 1.988 nan 8.240 nan 0.000 0.454 169 T N 3.258 117.892 114.554 0.133 0.000 3.113 169 T HA 0.048 4.398 4.350 -0.000 0.000 0.263 169 T C 2.012 176.691 174.700 -0.034 0.000 1.143 169 T CA 0.182 62.302 62.100 0.034 0.000 1.090 169 T CB -0.290 68.678 68.868 0.167 0.000 0.922 169 T HN 0.543 nan 8.240 nan 0.000 0.521 170 L N 0.993 122.193 121.223 -0.037 0.000 2.129 170 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 170 L C 2.403 178.927 176.870 -0.578 0.000 1.087 170 L CA 1.312 56.066 54.840 -0.143 0.000 0.757 170 L CB -0.415 41.652 42.059 0.013 0.000 0.896 170 L HN 0.258 nan 8.230 nan 0.000 0.434 171 V N -0.217 119.218 119.914 -0.800 0.000 2.913 171 V HA -0.214 3.906 4.120 -0.000 0.000 0.260 171 V C 1.748 177.333 176.094 -0.849 0.000 1.098 171 V CA 1.307 62.758 62.300 -1.416 0.000 1.121 171 V CB -0.712 30.570 31.823 -0.901 0.000 0.714 171 V HN 0.538 nan 8.190 nan 0.000 0.487 172 N N -0.362 117.989 118.700 -0.581 0.000 2.398 172 N HA 0.133 4.873 4.740 -0.000 0.000 0.188 172 N C 0.688 175.918 175.510 -0.467 0.000 1.122 172 N CA 0.052 52.843 53.050 -0.431 0.000 0.866 172 N CB 0.255 38.474 38.487 -0.448 0.000 0.970 172 N HN 0.474 nan 8.380 nan 0.000 0.462 173 M N 1.175 120.319 119.600 -0.762 0.000 2.240 173 M HA 0.062 4.542 4.480 -0.000 0.000 0.333 173 M C -0.175 175.952 176.300 -0.290 0.000 1.110 173 M CA -0.115 54.616 55.300 -0.949 0.000 1.173 173 M CB 1.018 32.870 32.600 -1.246 0.000 1.458 173 M HN -0.304 nan 8.290 nan 0.000 0.458 174 V N 4.405 124.215 119.914 -0.173 0.000 2.572 174 V HA 0.017 4.137 4.120 -0.000 0.000 0.291 174 V C -0.006 176.094 176.094 0.010 0.000 1.039 174 V CA 0.504 62.791 62.300 -0.021 0.000 1.055 174 V CB 0.757 32.590 31.823 0.018 0.000 0.969 174 V HN 1.092 nan 8.190 nan 0.000 0.482 175 D N 2.709 123.146 120.400 0.061 0.000 2.945 175 D HA -0.269 4.371 4.640 -0.000 0.000 0.225 175 D C 0.652 177.023 176.300 0.118 0.000 1.158 175 D CA 1.005 55.053 54.000 0.080 0.000 0.805 175 D CB -1.223 39.605 40.800 0.046 0.000 1.098 175 D HN 0.613 nan 8.370 nan 0.000 0.426 176 F N 0.628 120.581 119.950 0.005 0.000 2.192 176 F HA -0.260 4.266 4.527 -0.000 0.000 0.301 176 F C 2.156 178.092 175.800 0.226 0.000 1.079 176 F CA 2.189 60.221 58.000 0.055 0.000 1.303 176 F CB -0.516 38.494 39.000 0.017 0.000 1.024 176 F HN 0.083 nan 8.300 nan 0.000 0.494 177 T N 0.309 114.949 114.554 0.144 0.000 2.652 177 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 177 T C 1.503 176.187 174.700 -0.026 0.000 1.039 177 T CA 1.823 63.987 62.100 0.107 0.000 1.153 177 T CB -0.418 68.623 68.868 0.287 0.000 0.863 177 T HN 0.279 nan 8.240 nan 0.000 0.428 178 D N 0.590 120.998 120.400 0.013 0.000 2.144 178 D HA -0.023 4.617 4.640 -0.000 0.000 0.200 178 D C 2.423 178.744 176.300 0.036 0.000 0.978 178 D CA 0.681 54.691 54.000 0.018 0.000 0.833 178 D CB -0.144 40.668 40.800 0.019 0.000 0.961 178 D HN 0.159 nan 8.370 nan 0.000 0.470 179 R N 0.054 120.572 120.500 0.030 0.000 2.148 179 R HA -0.038 4.302 4.340 -0.000 0.000 0.223 179 R C 2.160 178.492 176.300 0.054 0.000 1.088 179 R CA 0.157 56.322 56.100 0.108 0.000 0.985 179 R CB -0.962 29.397 30.300 0.099 0.000 0.880 179 R HN 0.287 nan 8.270 nan 0.000 0.451 180 F N 0.437 120.159 119.950 -0.381 0.000 2.186 180 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 180 F C 1.626 177.055 175.800 -0.618 0.000 1.090 180 F CA 1.141 58.788 58.000 -0.588 0.000 1.307 180 F CB -0.205 38.143 39.000 -1.087 0.000 1.019 180 F HN -0.172 nan 8.300 nan 0.000 0.489 181 F N 0.453 120.106 119.950 -0.494 0.000 2.558 181 F HA -0.075 4.452 4.527 -0.001 0.000 0.298 181 F C 2.066 177.641 175.800 -0.376 0.000 1.119 181 F CA 0.894 58.547 58.000 -0.578 0.000 1.451 181 F CB -0.525 38.173 39.000 -0.503 0.000 1.091 181 F HN -0.056 nan 8.300 nan 0.000 0.563 182 D N -0.142 120.180 120.400 -0.130 0.000 2.224 182 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 182 D C 2.274 178.181 176.300 -0.656 0.000 0.965 182 D CA 0.592 54.517 54.000 -0.126 0.000 0.852 182 D CB -0.216 40.695 40.800 0.184 0.000 0.947 182 D HN 0.199 nan 8.370 nan 0.000 0.494 183 L N 0.994 121.700 121.223 -0.861 0.000 2.056 183 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 183 L C 1.965 178.421 176.870 -0.690 0.000 1.078 183 L CA 1.667 55.809 54.840 -1.163 0.000 0.749 183 L CB -0.526 41.124 42.059 -0.682 0.000 0.901 183 L HN -0.135 nan 8.230 nan 0.000 0.433 184 Q N 0.267 119.709 119.800 -0.596 0.000 2.096 184 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 184 Q C 2.250 178.218 176.000 -0.053 0.000 0.982 184 Q CA 1.880 57.510 55.803 -0.288 0.000 0.850 184 Q CB -0.349 28.130 28.738 -0.432 0.000 0.901 184 Q HN 0.606 nan 8.270 nan 0.000 0.422 185 K N 0.364 120.746 120.400 -0.031 0.000 2.097 185 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 185 K C 2.097 178.630 176.600 -0.113 0.000 1.049 185 K CA 1.083 57.381 56.287 0.020 0.000 0.933 185 K CB -0.141 32.393 32.500 0.057 0.000 0.717 185 K HN 0.139 nan 8.250 nan 0.000 0.442 186 A N 1.027 123.682 122.820 -0.275 0.000 1.898 186 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 186 A C 2.352 179.842 177.584 -0.157 0.000 1.181 186 A CA 1.285 53.174 52.037 -0.246 0.000 0.620 186 A CB -0.560 18.152 19.000 -0.480 0.000 0.819 186 A HN 0.067 nan 8.150 nan 0.000 0.442 187 V N -0.029 119.793 119.914 -0.154 0.000 2.427 187 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 187 V C 2.525 178.528 176.094 -0.151 0.000 1.051 187 V CA 1.752 64.016 62.300 -0.060 0.000 1.048 187 V CB -0.689 31.168 31.823 0.057 0.000 0.666 187 V HN 0.558 nan 8.190 nan 0.000 0.456 188 L N -0.195 120.926 121.223 -0.169 0.000 2.046 188 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 188 L C 2.582 179.310 176.870 -0.238 0.000 1.077 188 L CA 1.985 56.671 54.840 -0.255 0.000 0.747 188 L CB -0.429 41.514 42.059 -0.193 0.000 0.896 188 L HN 0.405 nan 8.230 nan 0.000 0.432 189 E N 0.038 120.143 120.200 -0.157 0.000 2.106 189 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 189 E C 2.211 178.699 176.600 -0.187 0.000 0.984 189 E CA 1.024 57.346 56.400 -0.130 0.000 0.806 189 E CB 0.007 29.666 29.700 -0.067 0.000 0.750 189 E HN 0.451 nan 8.360 nan 0.000 0.458 190 A N 0.908 123.609 122.820 -0.198 0.000 1.940 190 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 190 A C 2.199 179.426 177.584 -0.595 0.000 1.176 190 A CA 1.628 53.533 52.037 -0.220 0.000 0.631 190 A CB -0.530 18.424 19.000 -0.075 0.000 0.814 190 A HN 0.356 nan 8.150 nan 0.000 0.446 191 A N -1.752 120.559 122.820 -0.849 0.000 2.302 191 A HA 0.524 4.844 4.320 -0.000 0.000 0.219 191 A C 1.255 178.437 177.584 -0.670 0.000 1.243 191 A CA 0.985 52.156 52.037 -1.444 0.000 0.856 191 A CB -1.120 17.192 19.000 -1.146 0.000 0.893 191 A HN 2.046 nan 8.150 nan 0.000 0.491 192 A N -1.511 121.065 122.820 -0.406 0.000 2.791 192 A HA -0.078 4.242 4.320 -0.000 0.000 0.292 192 A C 0.056 177.560 177.584 -0.134 0.000 1.487 192 A CA 0.871 52.783 52.037 -0.208 0.000 0.760 192 A CB -2.411 16.488 19.000 -0.168 0.000 1.031 192 A HN 1.000 nan 8.150 nan 0.000 0.503 193 V N -0.280 119.558 119.914 -0.126 0.000 2.487 193 V HA 0.749 4.869 4.120 -0.000 0.000 0.298 193 V C 0.706 176.848 176.094 0.079 0.000 1.028 193 V CA -0.367 61.930 62.300 -0.005 0.000 0.860 193 V CB 1.693 33.446 31.823 -0.117 0.000 0.991 193 V HN 1.512 nan 8.190 nan 0.000 0.427 194 A N 3.150 126.122 122.820 0.253 0.000 2.322 194 A HA 0.594 4.914 4.320 -0.000 0.000 0.269 194 A C 1.042 178.785 177.584 0.264 0.000 1.094 194 A CA 0.261 52.411 52.037 0.189 0.000 0.807 194 A CB 0.801 19.881 19.000 0.133 0.000 1.047 194 A HN 1.193 nan 8.150 nan 0.000 0.487 195 S N 0.079 115.868 115.700 0.147 0.000 2.540 195 S HA -0.010 4.460 4.470 -0.000 0.000 0.218 195 S C 0.473 175.124 174.600 0.086 0.000 0.977 195 S CA 0.288 58.584 58.200 0.160 0.000 0.918 195 S CB -0.246 62.997 63.200 0.071 0.000 0.806 195 S HN 0.830 nan 8.310 nan 0.000 0.496 196 N N 1.031 119.750 118.700 0.032 0.000 2.338 196 N HA 0.197 4.937 4.740 -0.000 0.000 0.251 196 N C -0.788 174.657 175.510 -0.108 0.000 1.199 196 N CA -0.319 52.712 53.050 -0.031 0.000 0.879 196 N CB 0.558 39.031 38.487 -0.023 0.000 1.159 196 N HN 0.237 nan 8.380 nan 0.000 0.514 197 V N 1.912 121.715 119.914 -0.185 0.000 2.531 197 V HA 0.450 4.570 4.120 -0.000 0.000 0.301 197 V C -2.261 173.535 176.094 -0.496 0.000 1.034 197 V CA -1.437 60.613 62.300 -0.417 0.000 0.865 197 V CB 2.640 34.018 31.823 -0.742 0.000 0.995 197 V HN 0.083 nan 8.190 nan 0.000 0.424 198 P HA 0.178 nan 4.420 nan 0.000 0.225 198 P C -0.638 176.525 177.300 -0.230 0.000 1.813 198 P CA -0.405 62.522 63.100 -0.287 0.000 1.013 198 P CB -0.406 31.163 31.700 -0.219 0.000 1.961 199 Y N 0.892 121.133 120.300 -0.097 0.000 2.810 199 Y HA -0.102 4.448 4.550 -0.000 0.000 0.332 199 Y C 2.433 178.294 175.900 -0.066 0.000 1.243 199 Y CA 0.835 58.918 58.100 -0.027 0.000 1.537 199 Y CB -0.176 38.314 38.460 0.050 0.000 1.265 199 Y HN 0.264 nan 8.280 nan 0.000 0.572 200 T N -1.818 112.812 114.554 0.125 0.000 2.904 200 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 200 T C 0.772 175.502 174.700 0.050 0.000 1.059 200 T CA 0.555 62.684 62.100 0.049 0.000 1.137 200 T CB -0.366 68.526 68.868 0.040 0.000 0.879 200 T HN 0.549 nan 8.240 nan 0.000 0.467 201 S N 0.909 116.664 115.700 0.091 0.000 2.601 201 S HA 0.290 4.760 4.470 -0.000 0.000 0.271 201 S C 1.081 175.677 174.600 -0.007 0.000 1.305 201 S CA -0.926 57.292 58.200 0.030 0.000 1.022 201 S CB 1.354 64.566 63.200 0.020 0.000 0.940 201 S HN 0.397 nan 8.310 nan 0.000 0.525 202 Q N 0.308 120.094 119.800 -0.024 0.000 2.061 202 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 202 Q C 1.282 177.303 176.000 0.034 0.000 0.984 202 Q CA 1.825 57.630 55.803 0.003 0.000 0.846 202 Q CB -0.680 28.083 28.738 0.041 0.000 0.902 202 Q HN 0.729 nan 8.270 nan 0.000 0.421 203 V N -2.272 117.568 119.914 -0.123 0.000 0.524 203 V HA -0.329 3.791 4.120 -0.000 0.000 0.092 203 V C -0.103 175.952 176.094 -0.065 0.000 2.204 203 V CA 2.276 64.404 62.300 -0.285 0.000 3.556 203 V CB -0.894 30.769 31.823 -0.268 0.000 0.846 203 V HN 0.519 nan 8.190 nan 0.000 0.884 204 Y N 1.655 122.014 120.300 0.100 0.000 2.344 204 Y HA 0.610 5.160 4.550 0.000 0.000 0.328 204 Y C -0.744 175.346 175.900 0.316 0.000 1.067 204 Y CA -1.923 56.228 58.100 0.085 0.000 1.247 204 Y CB 1.144 39.573 38.460 -0.051 0.000 1.113 204 Y HN 0.479 nan 8.280 nan 0.000 0.465 205 D N 4.294 124.968 120.400 0.456 0.000 2.316 205 D HA 0.129 4.769 4.640 -0.000 0.000 0.245 205 D C 0.277 176.753 176.300 0.294 0.000 1.171 205 D CA -0.033 54.183 54.000 0.360 0.000 0.856 205 D CB 0.439 41.396 40.800 0.261 0.000 1.090 205 D HN 0.385 nan 8.370 nan 0.000 0.476 206 F N 2.753 122.864 119.950 0.268 0.000 2.802 206 F HA 0.106 4.633 4.527 -0.000 0.000 0.300 206 F C 1.367 177.335 175.800 0.279 0.000 1.168 206 F CA 0.095 58.237 58.000 0.236 0.000 1.433 206 F CB -0.231 38.910 39.000 0.236 0.000 1.115 206 F HN 0.410 nan 8.300 nan 0.000 0.582 207 K N 0.308 120.939 120.400 0.386 0.000 3.077 207 K HA -0.222 4.098 4.320 -0.000 0.000 0.264 207 K C -0.021 176.784 176.600 0.341 0.000 1.008 207 K CA 0.206 56.691 56.287 0.329 0.000 0.740 207 K CB -2.155 30.534 32.500 0.314 0.000 1.273 207 K HN 0.334 nan 8.250 nan 0.000 0.477 208 L N 0.319 121.765 121.223 0.371 0.000 2.888 208 L HA 0.049 4.389 4.340 -0.000 0.000 0.237 208 L C 0.977 178.021 176.870 0.290 0.000 1.288 208 L CA -0.339 54.728 54.840 0.378 0.000 1.110 208 L CB -0.067 42.252 42.059 0.433 0.000 1.441 208 L HN 0.123 nan 8.230 nan 0.000 0.474 209 D N 0.661 121.199 120.400 0.230 0.000 2.123 209 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 209 D C 2.318 178.697 176.300 0.131 0.000 0.992 209 D CA 1.305 55.414 54.000 0.182 0.000 0.833 209 D CB 0.060 40.967 40.800 0.179 0.000 0.954 209 D HN 0.428 nan 8.370 nan 0.000 0.455 210 Q N -0.093 119.719 119.800 0.020 0.000 2.170 210 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 210 Q C 1.484 177.342 176.000 -0.237 0.000 0.976 210 Q CA 1.202 56.878 55.803 -0.211 0.000 0.858 210 Q CB -0.965 27.286 28.738 -0.812 0.000 0.907 210 Q HN 0.553 nan 8.270 nan 0.000 0.433 211 W N 0.741 122.041 121.300 0.000 0.000 3.256 211 W HA 0.346 5.006 4.660 0.001 0.000 0.269 211 W C 1.003 177.574 176.519 0.086 0.000 1.310 211 W CA 0.252 57.627 57.345 0.051 0.000 1.673 211 W CB 0.381 29.867 29.460 0.044 0.000 1.115 211 W HN 0.419 nan 8.180 nan 0.000 0.686 212 G N 1.389 110.353 108.800 0.274 0.000 2.198 212 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 212 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 212 G C -0.323 174.708 174.900 0.219 0.000 1.025 212 G CA -0.133 45.094 45.100 0.213 0.000 0.769 212 G HN 0.197 nan 8.290 nan 0.000 0.507 213 L N -0.985 120.398 121.223 0.267 0.000 2.334 213 L HA 0.928 5.268 4.340 -0.000 0.000 0.276 213 L C 0.440 177.484 176.870 0.288 0.000 1.014 213 L CA -1.118 53.885 54.840 0.271 0.000 0.815 213 L CB 2.189 44.417 42.059 0.282 0.000 1.268 213 L HN 0.321 nan 8.230 nan 0.000 0.428 214 R N 1.551 122.207 120.500 0.259 0.000 2.664 214 R HA 0.282 4.622 4.340 -0.000 0.000 0.260 214 R C -1.244 174.917 176.300 -0.233 0.000 1.062 214 R CA -0.867 55.292 56.100 0.099 0.000 0.902 214 R CB 1.534 31.874 30.300 0.066 0.000 1.258 214 R HN 0.622 nan 8.270 nan 0.000 0.465 215 R N 2.650 122.685 120.500 -0.774 0.000 2.522 215 R HA 0.065 4.405 4.340 -0.000 0.000 0.284 215 R C -0.528 175.524 176.300 -0.415 0.000 1.032 215 R CA 0.125 55.614 56.100 -1.018 0.000 1.049 215 R CB 0.725 30.357 30.300 -1.114 0.000 0.956 215 R HN 0.445 nan 8.270 nan 0.000 0.422 216 Q N 4.000 123.626 119.800 -0.291 0.000 2.260 216 Q HA 0.294 4.634 4.340 -0.000 0.000 0.238 216 Q C -2.178 173.717 176.000 -0.176 0.000 0.948 216 Q CA -2.151 53.550 55.803 -0.170 0.000 0.895 216 Q CB 0.876 29.549 28.738 -0.108 0.000 1.218 216 Q HN 0.528 nan 8.270 nan 0.000 0.470 217 P HA 0.039 nan 4.420 nan 0.000 0.264 217 P C 0.379 177.599 177.300 -0.133 0.000 1.193 217 P CA 0.984 64.017 63.100 -0.112 0.000 0.763 217 P CB 0.298 31.952 31.700 -0.076 0.000 0.810 218 G N 1.728 110.442 108.800 -0.144 0.000 2.159 218 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.256 218 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.256 218 G C 0.062 174.832 174.900 -0.217 0.000 0.977 218 G CA -0.048 44.956 45.100 -0.160 0.000 0.652 218 G HN 0.623 nan 8.290 nan 0.000 0.531 219 E N 0.945 120.996 120.200 -0.247 0.000 2.166 219 E HA 0.617 4.967 4.350 -0.000 0.000 0.275 219 E C 0.818 177.240 176.600 -0.297 0.000 0.941 219 E CA -0.049 56.174 56.400 -0.294 0.000 0.784 219 E CB 0.925 30.461 29.700 -0.273 0.000 1.115 219 E HN 0.427 nan 8.360 nan 0.000 0.399 220 S N 2.969 118.528 115.700 -0.236 0.000 2.669 220 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 220 S C 0.679 175.132 174.600 -0.246 0.000 1.225 220 S CA -0.583 57.482 58.200 -0.225 0.000 0.991 220 S CB 0.490 63.617 63.200 -0.122 0.000 0.987 220 S HN 0.560 nan 8.310 nan 0.000 0.552 221 F N 0.832 120.674 119.950 -0.179 0.000 2.234 221 F HA -0.003 4.524 4.527 -0.000 0.000 0.299 221 F C 2.143 177.559 175.800 -0.639 0.000 1.087 221 F CA 1.167 58.868 58.000 -0.497 0.000 1.340 221 F CB -0.574 38.066 39.000 -0.600 0.000 1.031 221 F HN 0.536 nan 8.300 nan 0.000 0.500 222 D N -1.049 119.267 120.400 -0.140 0.000 2.092 222 D HA -0.232 4.408 4.640 -0.000 0.000 0.193 222 D C 2.308 178.577 176.300 -0.051 0.000 0.994 222 D CA 1.511 55.466 54.000 -0.076 0.000 0.828 222 D CB -0.651 40.142 40.800 -0.011 0.000 0.963 222 D HN 0.292 nan 8.370 nan 0.000 0.450 223 H N -0.660 118.347 119.070 -0.105 0.000 2.389 223 H HA -0.163 4.393 4.556 0.001 0.000 0.299 223 H C 2.036 177.340 175.328 -0.041 0.000 1.081 223 H CA 1.103 57.105 56.048 -0.077 0.000 1.345 223 H CB -0.199 29.517 29.762 -0.076 0.000 1.393 223 H HN 0.154 nan 8.280 nan 0.000 0.520 224 Y N 0.820 121.087 120.300 -0.055 0.000 2.200 224 Y HA -0.196 4.354 4.550 0.001 0.000 0.290 224 Y C 2.090 177.956 175.900 -0.057 0.000 1.137 224 Y CA 1.244 59.298 58.100 -0.076 0.000 1.163 224 Y CB -0.831 37.530 38.460 -0.165 0.000 0.988 224 Y HN 0.048 nan 8.280 nan 0.000 0.518 225 F N 0.862 120.626 119.950 -0.309 0.000 2.216 225 F HA -0.150 4.377 4.527 0.000 0.000 0.300 225 F C 2.318 177.625 175.800 -0.822 0.000 1.085 225 F CA 1.215 58.807 58.000 -0.680 0.000 1.326 225 F CB -1.015 37.725 39.000 -0.433 0.000 1.027 225 F HN 0.114 nan 8.300 nan 0.000 0.497 226 E N 0.161 120.156 120.200 -0.342 0.000 2.153 226 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 226 E C 2.374 178.740 176.600 -0.390 0.000 0.988 226 E CA 0.684 56.851 56.400 -0.389 0.000 0.811 226 E CB -0.298 29.205 29.700 -0.329 0.000 0.746 226 E HN 0.421 nan 8.360 nan 0.000 0.466 227 R N 0.187 120.481 120.500 -0.342 0.000 2.073 227 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 227 R C 2.620 178.734 176.300 -0.310 0.000 1.120 227 R CA 0.613 56.561 56.100 -0.252 0.000 0.967 227 R CB -0.299 29.940 30.300 -0.102 0.000 0.862 227 R HN 0.171 nan 8.270 nan 0.000 0.436 228 L N 0.883 121.815 121.223 -0.485 0.000 2.083 228 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 228 L C 2.199 178.823 176.870 -0.410 0.000 1.083 228 L CA 1.406 55.960 54.840 -0.476 0.000 0.752 228 L CB -0.382 41.303 42.059 -0.623 0.000 0.899 228 L HN 0.151 nan 8.230 nan 0.000 0.433 229 K N 0.256 120.244 120.400 -0.687 0.000 2.209 229 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 229 K C 1.715 178.243 176.600 -0.119 0.000 1.048 229 K CA 1.164 57.119 56.287 -0.554 0.000 0.940 229 K CB -0.052 32.069 32.500 -0.631 0.000 0.729 229 K HN 0.330 nan 8.250 nan 0.000 0.451 230 R N 0.705 121.110 120.500 -0.157 0.000 2.427 230 R HA 0.071 4.411 4.340 -0.000 0.000 0.262 230 R C 0.355 176.611 176.300 -0.074 0.000 0.943 230 R CA -0.130 55.924 56.100 -0.077 0.000 1.081 230 R CB 0.677 30.917 30.300 -0.100 0.000 1.166 230 R HN 0.077 nan 8.270 nan 0.000 0.534 231 S N -0.438 115.207 115.700 -0.093 0.000 2.722 231 S HA 0.376 4.846 4.470 -0.000 0.000 0.292 231 S C -2.075 172.394 174.600 -0.218 0.000 1.135 231 S CA -1.492 56.622 58.200 -0.143 0.000 1.003 231 S CB 2.006 65.108 63.200 -0.163 0.000 1.067 231 S HN -0.273 nan 8.310 nan 0.000 0.546 232 P HA -0.016 nan 4.420 nan 0.000 0.220 232 P C 1.335 178.137 177.300 -0.831 0.000 1.148 232 P CA 0.390 63.061 63.100 -0.716 0.000 0.803 232 P CB 0.001 30.987 31.700 -1.190 0.000 0.782 233 V N -1.710 117.739 119.914 -0.775 0.000 3.444 233 V HA -0.055 4.065 4.120 -0.000 0.000 0.271 233 V C 1.159 177.250 176.094 -0.005 0.000 1.188 233 V CA 1.171 63.230 62.300 -0.401 0.000 1.168 233 V CB -0.776 30.942 31.823 -0.176 0.000 0.810 233 V HN 0.326 nan 8.190 nan 0.000 0.500 234 W N -0.432 120.738 121.300 -0.216 0.000 2.942 234 W HA 0.040 4.699 4.660 -0.001 0.000 0.260 234 W C 1.912 178.374 176.519 -0.095 0.000 1.101 234 W CA 0.878 58.164 57.345 -0.098 0.000 1.436 234 W CB 0.431 29.883 29.460 -0.013 0.000 0.883 234 W HN 0.413 nan 8.180 nan 0.000 0.646 235 T N -1.422 113.055 114.554 -0.129 0.000 3.060 235 T HA 0.096 4.445 4.350 -0.000 0.000 0.249 235 T C 1.074 175.665 174.700 -0.182 0.000 1.079 235 T CA 0.679 62.685 62.100 -0.157 0.000 1.013 235 T CB -0.049 68.775 68.868 -0.073 0.000 0.975 235 T HN -0.005 nan 8.240 nan 0.000 0.518 236 S N 1.350 116.923 115.700 -0.212 0.000 2.738 236 S HA 0.401 4.871 4.470 -0.000 0.000 0.284 236 S C 1.414 175.898 174.600 -0.194 0.000 1.146 236 S CA 0.074 58.175 58.200 -0.165 0.000 0.997 236 S CB 1.142 64.272 63.200 -0.116 0.000 1.081 236 S HN 0.372 nan 8.310 nan 0.000 0.553 237 T N -2.864 111.546 114.554 -0.240 0.000 3.081 237 T HA 0.096 4.446 4.350 -0.000 0.000 0.255 237 T C 0.408 174.898 174.700 -0.351 0.000 1.113 237 T CA 0.722 62.522 62.100 -0.500 0.000 1.082 237 T CB -0.584 67.846 68.868 -0.731 0.000 0.939 237 T HN 0.613 nan 8.240 nan 0.000 0.506 238 D N 2.982 123.238 120.400 -0.240 0.000 2.845 238 D HA 0.238 4.878 4.640 -0.000 0.000 0.235 238 D C 0.043 176.400 176.300 0.095 0.000 1.158 238 D CA -0.089 53.800 54.000 -0.185 0.000 0.990 238 D CB -0.446 40.106 40.800 -0.414 0.000 1.094 238 D HN 0.609 nan 8.370 nan 0.000 0.486 239 T N -3.632 110.974 114.554 0.085 0.000 2.816 239 T HA 0.612 4.962 4.350 -0.000 0.000 0.299 239 T C 1.094 175.863 174.700 0.116 0.000 1.230 239 T CA -0.371 61.789 62.100 0.101 0.000 1.007 239 T CB 1.185 70.028 68.868 -0.043 0.000 1.289 239 T HN -0.136 nan 8.240 nan 0.000 0.508 240 A N 0.669 123.552 122.820 0.105 0.000 1.930 240 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 240 A C 2.343 179.913 177.584 -0.024 0.000 1.175 240 A CA 1.687 53.779 52.037 0.092 0.000 0.627 240 A CB -0.894 18.191 19.000 0.141 0.000 0.815 240 A HN 0.939 nan 8.150 nan 0.000 0.443 241 R N -1.797 118.592 120.500 -0.184 0.000 2.096 241 R HA -0.250 4.090 4.340 -0.000 0.000 0.240 241 R C 2.031 178.202 176.300 -0.216 0.000 1.139 241 R CA 2.317 58.188 56.100 -0.381 0.000 0.952 241 R CB -0.563 29.155 30.300 -0.971 0.000 0.854 241 R HN 0.600 nan 8.270 nan 0.000 0.436 242 Y N 1.517 121.677 120.300 -0.232 0.000 2.163 242 Y HA -0.157 4.393 4.550 -0.001 0.000 0.288 242 Y C 1.674 177.530 175.900 -0.074 0.000 1.136 242 Y CA 1.987 59.997 58.100 -0.150 0.000 1.147 242 Y CB -0.192 38.203 38.460 -0.108 0.000 0.987 242 Y HN 0.150 nan 8.280 nan 0.000 0.509 243 D N -0.046 120.352 120.400 -0.004 0.000 2.264 243 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 243 D C 1.951 178.200 176.300 -0.086 0.000 0.966 243 D CA 0.830 54.811 54.000 -0.031 0.000 0.864 243 D CB -0.267 40.602 40.800 0.115 0.000 0.933 243 D HN 0.364 nan 8.370 nan 0.000 0.499 244 L N 0.487 121.652 121.223 -0.096 0.000 2.240 244 L HA 0.040 4.380 4.340 -0.000 0.000 0.211 244 L C 0.904 177.689 176.870 -0.140 0.000 1.106 244 L CA 0.377 55.167 54.840 -0.084 0.000 0.793 244 L CB -0.374 41.654 42.059 -0.052 0.000 0.927 244 L HN -0.102 nan 8.230 nan 0.000 0.446 245 S N -2.215 113.347 115.700 -0.230 0.000 2.600 245 S HA 0.108 4.578 4.470 -0.000 0.000 0.265 245 S C 1.426 175.919 174.600 -0.178 0.000 1.325 245 S CA -0.107 57.945 58.200 -0.247 0.000 1.002 245 S CB 1.029 64.041 63.200 -0.314 0.000 0.921 245 S HN 0.021 nan 8.310 nan 0.000 0.554 246 V N 2.057 121.887 119.914 -0.140 0.000 2.343 246 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 246 V C 2.781 178.812 176.094 -0.106 0.000 1.051 246 V CA 2.388 64.639 62.300 -0.081 0.000 1.036 246 V CB -1.389 30.344 31.823 -0.149 0.000 0.654 246 V HN 0.966 nan 8.190 nan 0.000 0.451 247 S N 0.612 116.215 115.700 -0.162 0.000 2.348 247 S HA -0.134 4.336 4.470 -0.000 0.000 0.221 247 S C 2.094 176.554 174.600 -0.233 0.000 1.033 247 S CA 1.484 59.587 58.200 -0.161 0.000 1.010 247 S CB -0.805 62.299 63.200 -0.160 0.000 0.891 247 S HN 0.680 nan 8.310 nan 0.000 0.442 248 G N 1.175 109.692 108.800 -0.471 0.000 2.422 248 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.218 248 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.218 248 G C 1.531 176.300 174.900 -0.219 0.000 1.146 248 G CA 0.869 45.579 45.100 -0.650 0.000 0.769 248 G HN 0.575 nan 8.290 nan 0.000 0.547 249 A N 0.588 123.323 122.820 -0.143 0.000 1.969 249 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 249 A C 2.120 179.704 177.584 -0.001 0.000 1.169 249 A CA 1.959 53.972 52.037 -0.039 0.000 0.635 249 A CB -0.356 18.636 19.000 -0.012 0.000 0.810 249 A HN 0.504 nan 8.150 nan 0.000 0.445 250 E N -0.040 120.156 120.200 -0.007 0.000 2.072 250 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 250 E C 2.056 178.693 176.600 0.061 0.000 0.985 250 E CA 1.353 57.767 56.400 0.025 0.000 0.801 250 E CB -0.151 29.560 29.700 0.018 0.000 0.750 250 E HN 0.609 nan 8.360 nan 0.000 0.452 251 K N 0.577 121.024 120.400 0.078 0.000 2.097 251 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 251 K C 2.321 179.081 176.600 0.267 0.000 1.049 251 K CA 1.073 57.465 56.287 0.174 0.000 0.933 251 K CB -0.151 32.477 32.500 0.212 0.000 0.717 251 K HN 0.236 nan 8.250 nan 0.000 0.442 252 L N 1.183 122.522 121.223 0.193 0.000 2.056 252 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 252 L C 1.592 178.420 176.870 -0.070 0.000 1.078 252 L CA 1.434 56.346 54.840 0.119 0.000 0.749 252 L CB -0.351 41.749 42.059 0.069 0.000 0.901 252 L HN 0.234 nan 8.230 nan 0.000 0.433 253 N N -0.179 118.516 118.700 -0.008 0.000 2.289 253 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 253 N C 1.755 177.276 175.510 0.018 0.000 1.016 253 N CA 0.840 53.873 53.050 -0.029 0.000 0.872 253 N CB -0.233 38.248 38.487 -0.010 0.000 0.973 253 N HN 0.444 nan 8.380 nan 0.000 0.433 254 Q N -0.538 119.326 119.800 0.107 0.000 2.170 254 Q HA -0.116 4.224 4.340 -0.000 0.000 0.203 254 Q C 1.739 177.889 176.000 0.250 0.000 0.976 254 Q CA 1.035 56.940 55.803 0.170 0.000 0.858 254 Q CB -0.137 28.728 28.738 0.211 0.000 0.907 254 Q HN 0.744 nan 8.270 nan 0.000 0.433 255 W N -1.364 119.990 121.300 0.090 0.000 2.865 255 W HA 0.318 4.977 4.660 -0.001 0.000 0.300 255 W C -0.167 176.419 176.519 0.113 0.000 1.096 255 W CA -0.129 57.277 57.345 0.101 0.000 1.524 255 W CB 0.275 29.806 29.460 0.119 0.000 0.991 255 W HN -0.304 nan 8.180 nan 0.000 0.571 256 V N 4.479 124.099 119.914 -0.490 0.000 2.322 256 V HA 0.195 4.315 4.120 -0.000 0.000 0.258 256 V C -0.128 175.874 176.094 -0.153 0.000 1.074 256 V CA 0.233 62.247 62.300 -0.478 0.000 0.909 256 V CB 0.159 31.594 31.823 -0.647 0.000 1.090 256 V HN 0.031 nan 8.190 nan 0.000 0.486 257 Q N 2.464 122.234 119.800 -0.049 0.000 2.297 257 Q HA 0.783 5.123 4.340 -0.000 0.000 0.269 257 Q C 0.042 176.029 176.000 -0.022 0.000 1.051 257 Q CA -0.845 54.951 55.803 -0.011 0.000 0.869 257 Q CB 2.113 30.866 28.738 0.025 0.000 1.346 257 Q HN 0.752 nan 8.270 nan 0.000 0.457 258 A N 1.144 123.910 122.820 -0.089 0.000 2.477 258 A HA 0.263 4.583 4.320 -0.000 0.000 0.246 258 A C -0.014 177.572 177.584 0.003 0.000 1.078 258 A CA -0.037 51.856 52.037 -0.240 0.000 0.770 258 A CB 0.452 19.172 19.000 -0.467 0.000 1.011 258 A HN 0.502 nan 8.150 nan 0.000 0.494 259 S N 3.051 118.860 115.700 0.183 0.000 2.537 259 S HA 0.471 4.941 4.470 -0.000 0.000 0.275 259 S C -1.333 173.325 174.600 0.097 0.000 1.272 259 S CA -1.382 56.898 58.200 0.133 0.000 1.050 259 S CB 0.807 64.095 63.200 0.146 0.000 0.961 259 S HN 0.558 nan 8.310 nan 0.000 0.496 260 P HA 0.026 nan 4.420 nan 0.000 0.234 260 P C 0.119 177.365 177.300 -0.089 0.000 1.167 260 P CA 0.577 63.655 63.100 -0.036 0.000 0.763 260 P CB 0.023 31.698 31.700 -0.041 0.000 0.835 261 N N -0.630 118.029 118.700 -0.068 0.000 2.236 261 N HA 0.065 4.805 4.740 -0.000 0.000 0.196 261 N C 0.054 175.541 175.510 -0.038 0.000 1.114 261 N CA 0.476 53.458 53.050 -0.114 0.000 0.859 261 N CB 0.584 38.927 38.487 -0.240 0.000 0.982 261 N HN 0.096 nan 8.380 nan 0.000 0.493 262 T N 0.350 114.852 114.554 -0.087 0.000 2.876 262 T HA 0.392 4.742 4.350 -0.000 0.000 0.289 262 T C -0.861 173.646 174.700 -0.321 0.000 1.014 262 T CA -0.416 61.566 62.100 -0.196 0.000 0.986 262 T CB 1.361 70.006 68.868 -0.371 0.000 1.021 262 T HN -0.094 nan 8.240 nan 0.000 0.458 263 Y N 1.530 121.660 120.300 -0.283 0.000 2.313 263 Y HA 0.500 5.050 4.550 -0.000 0.000 0.332 263 Y C -0.393 175.244 175.900 -0.437 0.000 1.071 263 Y CA -0.675 57.298 58.100 -0.212 0.000 1.169 263 Y CB 0.650 39.049 38.460 -0.101 0.000 1.192 263 Y HN 0.544 nan 8.280 nan 0.000 0.487 264 Y N 3.206 123.371 120.300 -0.226 0.000 2.364 264 Y HA 0.586 5.137 4.550 0.000 0.000 0.340 264 Y C -1.023 174.731 175.900 -0.244 0.000 0.975 264 Y CA -1.032 56.764 58.100 -0.506 0.000 1.089 264 Y CB 1.196 38.755 38.460 -1.501 0.000 1.192 264 Y HN 0.356 nan 8.280 nan 0.000 0.454 265 L N 3.120 124.385 121.223 0.070 0.000 2.365 265 L HA 0.703 5.043 4.340 -0.000 0.000 0.273 265 L C -0.375 176.677 176.870 0.305 0.000 1.000 265 L CA -0.495 54.414 54.840 0.116 0.000 0.819 265 L CB 2.205 44.285 42.059 0.035 0.000 1.284 265 L HN 0.656 nan 8.230 nan 0.000 0.418 266 S N 1.329 117.161 115.700 0.220 0.000 2.521 266 S HA 0.818 5.288 4.470 -0.000 0.000 0.295 266 S C -0.993 173.605 174.600 -0.003 0.000 1.098 266 S CA -0.615 57.768 58.200 0.305 0.000 0.999 266 S CB 1.034 64.445 63.200 0.351 0.000 1.034 266 S HN 0.206 nan 8.310 nan 0.000 0.483 267 F N 1.353 121.436 119.950 0.222 0.000 2.482 267 F HA 0.634 5.161 4.527 -0.000 0.000 0.331 267 F C 0.679 176.596 175.800 0.195 0.000 1.115 267 F CA -0.383 57.742 58.000 0.208 0.000 0.955 267 F CB 2.388 41.492 39.000 0.173 0.000 1.136 267 F HN 0.618 nan 8.300 nan 0.000 0.452 268 S N 0.603 116.509 115.700 0.343 0.000 2.681 268 S HA 0.812 5.282 4.470 -0.000 0.000 0.299 268 S C -0.412 174.336 174.600 0.246 0.000 1.113 268 S CA -0.778 57.559 58.200 0.228 0.000 1.013 268 S CB 1.832 65.110 63.200 0.130 0.000 1.076 268 S HN 0.652 nan 8.310 nan 0.000 0.534 269 T N -0.209 114.439 114.554 0.156 0.000 2.909 269 T HA 0.791 5.141 4.350 -0.000 0.000 0.299 269 T C -1.448 173.301 174.700 0.081 0.000 1.073 269 T CA -1.008 61.165 62.100 0.121 0.000 0.999 269 T CB 1.724 70.643 68.868 0.085 0.000 1.098 269 T HN 0.612 nan 8.240 nan 0.000 0.477 270 E N 0.466 120.707 120.200 0.069 0.000 2.343 270 E HA 0.709 5.059 4.350 -0.000 0.000 0.278 270 E C -0.733 175.906 176.600 0.066 0.000 0.910 270 E CA -1.062 55.373 56.400 0.057 0.000 0.757 270 E CB 1.913 31.642 29.700 0.049 0.000 1.218 270 E HN 0.527 nan 8.360 nan 0.000 0.435 271 R N 0.859 121.407 120.500 0.079 0.000 2.579 271 R HA 0.327 4.667 4.340 -0.000 0.000 0.386 271 R C -1.259 175.118 176.300 0.130 0.000 1.065 271 R CA 0.442 56.599 56.100 0.095 0.000 1.143 271 R CB 0.468 30.814 30.300 0.077 0.000 1.357 271 R HN 0.859 nan 8.270 nan 0.000 0.644 272 T N -2.646 112.004 114.554 0.161 0.000 2.865 272 T HA 0.603 4.953 4.350 -0.000 0.000 0.294 272 T C -0.822 174.050 174.700 0.286 0.000 1.119 272 T CA -0.757 61.458 62.100 0.192 0.000 1.007 272 T CB 1.498 70.471 68.868 0.175 0.000 1.225 272 T HN 0.148 nan 8.240 nan 0.000 0.515 273 Y N -0.896 119.513 120.300 0.183 0.000 2.536 273 Y HA 0.776 5.327 4.550 0.001 0.000 0.347 273 Y C -0.163 175.679 175.900 -0.097 0.000 1.000 273 Y CA -1.613 56.529 58.100 0.071 0.000 1.051 273 Y CB 1.478 39.965 38.460 0.046 0.000 1.259 273 Y HN 0.917 nan 8.280 nan 0.000 0.468 274 R N 1.948 122.371 120.500 -0.128 0.000 2.308 274 R HA 0.540 4.880 4.340 -0.000 0.000 0.305 274 R C 0.363 176.709 176.300 0.077 0.000 1.053 274 R CA -0.111 55.770 56.100 -0.364 0.000 0.957 274 R CB 0.594 30.695 30.300 -0.332 0.000 1.022 274 R HN 1.129 nan 8.270 nan 0.000 0.461 275 G N 1.341 110.224 108.800 0.139 0.000 2.516 275 G HA2 0.325 4.285 3.960 -0.000 0.000 0.276 275 G HA3 0.325 4.285 3.960 -0.000 0.000 0.276 275 G C 0.117 175.059 174.900 0.070 0.000 1.390 275 G CA 0.119 45.287 45.100 0.113 0.000 1.050 275 G HN 0.706 nan 8.290 nan 0.000 0.519 276 A N -1.423 121.415 122.820 0.029 0.000 2.469 276 A HA 0.417 4.737 4.320 -0.000 0.000 0.245 276 A C 1.895 179.496 177.584 0.029 0.000 1.221 276 A CA -0.163 51.888 52.037 0.022 0.000 0.946 276 A CB 0.023 19.024 19.000 0.001 0.000 1.049 276 A HN 0.395 nan 8.150 nan 0.000 0.529 277 L N -0.474 120.779 121.223 0.049 0.000 2.004 277 L HA 0.020 4.360 4.340 -0.000 0.000 0.205 277 L C 2.188 179.088 176.870 0.050 0.000 1.089 277 L CA 1.916 56.787 54.840 0.051 0.000 0.756 277 L CB -0.895 41.209 42.059 0.075 0.000 0.900 277 L HN 0.492 nan 8.230 nan 0.000 0.440 278 T N -3.732 110.861 114.554 0.066 0.000 3.231 278 T HA 0.403 4.753 4.350 -0.000 0.000 0.292 278 T C 0.985 175.711 174.700 0.043 0.000 1.001 278 T CA 0.263 62.388 62.100 0.042 0.000 0.920 278 T CB 0.753 69.637 68.868 0.026 0.000 1.140 278 T HN 0.588 nan 8.240 nan 0.000 0.525 279 G N 1.814 110.650 108.800 0.059 0.000 2.136 279 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 279 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 279 G C -0.091 174.840 174.900 0.052 0.000 0.989 279 G CA -0.301 44.829 45.100 0.050 0.000 0.682 279 G HN 0.606 nan 8.290 nan 0.000 0.522 280 N N 0.333 119.064 118.700 0.051 0.000 2.381 280 N HA 0.375 5.115 4.740 -0.000 0.000 0.254 280 N C 0.133 175.556 175.510 -0.145 0.000 1.264 280 N CA 0.119 53.135 53.050 -0.057 0.000 0.942 280 N CB 0.286 38.635 38.487 -0.229 0.000 1.190 280 N HN 0.389 nan 8.380 nan 0.000 0.495 281 H N 0.244 119.120 119.070 -0.322 0.000 2.492 281 H HA 0.332 4.888 4.556 -0.001 0.000 0.345 281 H C -0.717 174.253 175.328 -0.597 0.000 1.136 281 H CA -0.216 55.667 56.048 -0.276 0.000 1.202 281 H CB 0.993 30.671 29.762 -0.140 0.000 1.524 281 H HN 0.429 nan 8.280 nan 0.000 0.506 282 Y N 1.257 121.263 120.300 -0.490 0.000 2.536 282 Y HA 0.238 4.788 4.550 0.000 0.000 0.347 282 Y C -2.153 173.524 175.900 -0.372 0.000 1.000 282 Y CA -2.908 54.885 58.100 -0.512 0.000 1.051 282 Y CB 1.322 39.286 38.460 -0.826 0.000 1.259 282 Y HN 0.463 nan 8.280 nan 0.000 0.468 283 P HA 0.049 nan 4.420 nan 0.000 0.271 283 P C -0.705 176.739 177.300 0.239 0.000 1.216 283 P CA 0.027 63.192 63.100 0.108 0.000 0.771 283 P CB 1.110 32.867 31.700 0.096 0.000 0.864 284 E N 1.793 122.143 120.200 0.250 0.000 2.371 284 E HA 0.207 4.557 4.350 -0.000 0.000 0.257 284 E C 0.324 177.033 176.600 0.183 0.000 1.134 284 E CA -0.838 55.734 56.400 0.286 0.000 0.919 284 E CB 0.401 30.230 29.700 0.214 0.000 1.025 284 E HN 0.468 nan 8.360 nan 0.000 0.438 285 L N -1.365 119.941 121.223 0.138 0.000 2.456 285 L HA 0.375 4.715 4.340 -0.000 0.000 0.272 285 L C 0.837 177.759 176.870 0.087 0.000 1.189 285 L CA 0.255 55.153 54.840 0.097 0.000 0.846 285 L CB 0.198 42.294 42.059 0.062 0.000 1.111 285 L HN 0.820 nan 8.230 nan 0.000 0.475 286 G N 2.562 111.410 108.800 0.080 0.000 2.232 286 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.226 286 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.226 286 G C 0.260 175.208 174.900 0.079 0.000 0.996 286 G CA 0.202 45.347 45.100 0.075 0.000 0.626 286 G HN 0.863 nan 8.290 nan 0.000 0.509 287 M N 2.324 121.976 119.600 0.087 0.000 2.250 287 M HA 0.320 4.800 4.480 -0.000 0.000 0.337 287 M C 0.983 177.337 176.300 0.090 0.000 1.161 287 M CA 0.248 55.601 55.300 0.088 0.000 1.088 287 M CB 0.110 32.766 32.600 0.093 0.000 1.639 287 M HN 0.556 nan 8.290 nan 0.000 0.447 288 N N 4.317 123.075 118.700 0.097 0.000 2.356 288 N HA 0.088 4.828 4.740 -0.000 0.000 0.252 288 N C 0.640 176.222 175.510 0.120 0.000 1.241 288 N CA 0.423 53.539 53.050 0.111 0.000 0.861 288 N CB 0.653 39.217 38.487 0.129 0.000 1.075 288 N HN 0.739 nan 8.380 nan 0.000 0.461 289 A N 3.005 125.896 122.820 0.117 0.000 1.903 289 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 289 A C 1.823 179.477 177.584 0.116 0.000 1.191 289 A CA 1.579 53.680 52.037 0.107 0.000 0.638 289 A CB -1.202 17.860 19.000 0.104 0.000 0.823 289 A HN 0.820 nan 8.150 nan 0.000 0.451 290 F N 1.269 121.242 119.950 0.040 0.000 2.069 290 F HA -0.189 4.338 4.527 0.000 0.000 0.298 290 F C 2.652 178.477 175.800 0.040 0.000 1.113 290 F CA 2.091 60.111 58.000 0.033 0.000 1.214 290 F CB -0.475 38.538 39.000 0.021 0.000 0.978 290 F HN 0.206 nan 8.300 nan 0.000 0.474 291 S N 0.382 116.128 115.700 0.078 0.000 2.368 291 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 291 S C 2.307 176.877 174.600 -0.050 0.000 1.029 291 S CA 0.969 59.167 58.200 -0.005 0.000 0.988 291 S CB -0.904 62.367 63.200 0.118 0.000 0.838 291 S HN 0.541 nan 8.310 nan 0.000 0.462 292 A N 1.049 123.871 122.820 0.003 0.000 1.908 292 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 292 A C 2.312 179.885 177.584 -0.018 0.000 1.181 292 A CA 1.724 53.772 52.037 0.018 0.000 0.627 292 A CB -0.758 18.274 19.000 0.054 0.000 0.818 292 A HN 0.364 nan 8.150 nan 0.000 0.445 293 V N -1.044 118.828 119.914 -0.070 0.000 2.331 293 V HA -0.116 4.004 4.120 -0.000 0.000 0.242 293 V C 2.432 178.438 176.094 -0.147 0.000 1.034 293 V CA 1.768 64.018 62.300 -0.084 0.000 1.027 293 V CB -0.474 31.302 31.823 -0.078 0.000 0.667 293 V HN 0.333 nan 8.190 nan 0.000 0.457 294 V N -1.429 118.286 119.914 -0.331 0.000 2.725 294 V HA -0.099 4.021 4.120 -0.000 0.000 0.247 294 V C 2.080 178.030 176.094 -0.241 0.000 1.058 294 V CA 1.681 63.750 62.300 -0.385 0.000 1.080 294 V CB -0.004 31.300 31.823 -0.866 0.000 0.713 294 V HN 0.617 nan 8.190 nan 0.000 0.465 295 C N -0.472 118.707 119.300 -0.202 0.000 2.478 295 C HA 0.437 4.897 4.460 -0.000 0.000 0.397 295 C C 2.991 178.009 174.990 0.046 0.000 1.360 295 C CA 0.109 59.104 59.018 -0.038 0.000 2.191 295 C CB -0.465 27.274 27.740 -0.001 0.000 2.654 295 C HN 0.511 nan 8.230 nan 0.000 0.548 296 A N 2.529 125.358 122.820 0.015 0.000 1.892 296 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 296 A C -0.011 177.575 177.584 0.003 0.000 1.188 296 A CA 2.297 54.347 52.037 0.022 0.000 0.631 296 A CB -1.962 17.048 19.000 0.017 0.000 0.822 296 A HN 0.450 nan 8.150 nan 0.000 0.447 297 P HA -0.203 nan 4.420 nan 0.000 0.215 297 P C 1.503 178.799 177.300 -0.006 0.000 1.163 297 P CA 1.446 64.526 63.100 -0.033 0.000 0.894 297 P CB -0.164 31.548 31.700 0.020 0.000 0.791 298 F N -0.179 119.740 119.950 -0.051 0.000 2.084 298 F HA -0.140 4.385 4.527 -0.002 0.000 0.296 298 F C 2.086 177.888 175.800 0.005 0.000 1.111 298 F CA 1.401 59.391 58.000 -0.018 0.000 1.224 298 F CB -0.981 38.004 39.000 -0.027 0.000 0.991 298 F HN -0.282 nan 8.300 nan 0.000 0.471 299 L N 0.087 121.443 121.223 0.221 0.000 2.081 299 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 299 L C 2.547 179.411 176.870 -0.011 0.000 1.080 299 L CA 1.485 56.400 54.840 0.125 0.000 0.754 299 L CB -1.396 40.741 42.059 0.130 0.000 0.893 299 L HN 0.379 nan 8.230 nan 0.000 0.433 300 G N -1.791 106.970 108.800 -0.065 0.000 2.848 300 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.208 300 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.208 300 G C 1.324 176.123 174.900 -0.169 0.000 1.152 300 G CA 0.820 45.854 45.100 -0.110 0.000 0.789 300 G HN 0.516 nan 8.290 nan 0.000 0.531 301 S N -2.061 113.515 115.700 -0.205 0.000 2.684 301 S HA 0.231 4.701 4.470 -0.000 0.000 0.268 301 S C 0.269 174.718 174.600 -0.251 0.000 1.075 301 S CA -0.613 57.458 58.200 -0.214 0.000 1.184 301 S CB -0.101 62.969 63.200 -0.217 0.000 1.129 301 S HN 0.171 nan 8.310 nan 0.000 0.630 302 Y N 3.884 123.858 120.300 -0.543 0.000 2.511 302 Y HA 0.527 5.076 4.550 -0.001 0.000 0.332 302 Y C 0.157 175.854 175.900 -0.338 0.000 1.177 302 Y CA -0.058 57.666 58.100 -0.627 0.000 1.422 302 Y CB 0.438 38.198 38.460 -1.168 0.000 1.271 302 Y HN 0.165 nan 8.280 nan 0.000 0.550 303 R N 4.808 124.678 120.500 -1.049 0.000 2.564 303 R HA 0.280 4.620 4.340 -0.000 0.000 0.284 303 R C -1.589 174.118 176.300 -0.989 0.000 1.031 303 R CA -0.996 54.625 56.100 -0.798 0.000 0.904 303 R CB 1.449 31.501 30.300 -0.413 0.000 1.199 303 R HN 0.598 nan 8.270 nan 0.000 0.443 304 N N 3.717 121.978 118.700 -0.732 0.000 2.540 304 N HA 0.241 4.981 4.740 -0.000 0.000 0.275 304 N C -2.314 173.037 175.510 -0.265 0.000 1.053 304 N CA -2.055 50.725 53.050 -0.450 0.000 0.876 304 N CB 2.120 40.459 38.487 -0.247 0.000 1.284 304 N HN 0.175 nan 8.380 nan 0.000 0.518 305 P HA -0.080 nan 4.420 nan 0.000 0.216 305 P C 1.024 178.257 177.300 -0.112 0.000 1.153 305 P CA 1.592 64.608 63.100 -0.140 0.000 0.858 305 P CB 0.337 31.972 31.700 -0.108 0.000 0.789 306 T N -0.851 113.646 114.554 -0.094 0.000 2.881 306 T HA -0.080 4.270 4.350 -0.000 0.000 0.270 306 T C 1.296 175.947 174.700 -0.082 0.000 1.068 306 T CA 1.079 63.137 62.100 -0.070 0.000 1.131 306 T CB -0.508 68.331 68.868 -0.048 0.000 0.871 306 T HN -0.010 nan 8.240 nan 0.000 0.479 307 L N -0.207 120.947 121.223 -0.116 0.000 2.640 307 L HA 0.422 4.762 4.340 -0.000 0.000 0.230 307 L C 1.828 178.576 176.870 -0.204 0.000 1.123 307 L CA 0.514 55.266 54.840 -0.147 0.000 0.900 307 L CB -0.299 41.666 42.059 -0.156 0.000 1.146 307 L HN 0.390 nan 8.230 nan 0.000 0.484 308 G N -0.029 108.655 108.800 -0.194 0.000 2.143 308 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 308 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 308 G C 0.312 175.017 174.900 -0.325 0.000 0.991 308 G CA -0.123 44.862 45.100 -0.193 0.000 0.689 308 G HN 0.130 nan 8.290 nan 0.000 0.522 309 I N 2.472 122.772 120.570 -0.449 0.000 2.406 309 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 309 I C 0.649 176.537 176.117 -0.382 0.000 1.101 309 I CA -0.338 60.571 61.300 -0.650 0.000 1.334 309 I CB -0.103 37.558 38.000 -0.564 0.000 1.421 309 I HN 0.457 nan 8.210 nan 0.000 0.513 310 D N 4.517 124.784 120.400 -0.222 0.000 2.831 310 D HA 0.159 4.799 4.640 -0.000 0.000 0.240 310 D C 0.466 176.800 176.300 0.057 0.000 1.183 310 D CA -0.410 53.550 54.000 -0.066 0.000 1.079 310 D CB 0.420 41.207 40.800 -0.022 0.000 1.262 310 D HN 0.274 nan 8.370 nan 0.000 0.634 311 D N -0.595 119.840 120.400 0.058 0.000 2.263 311 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 311 D C 1.741 178.099 176.300 0.096 0.000 0.971 311 D CA 0.665 54.709 54.000 0.073 0.000 0.867 311 D CB 0.251 41.084 40.800 0.055 0.000 0.929 311 D HN 0.310 nan 8.370 nan 0.000 0.492 312 R N -0.428 120.157 120.500 0.141 0.000 2.189 312 R HA -0.074 4.266 4.340 -0.000 0.000 0.218 312 R C 1.504 177.805 176.300 0.002 0.000 1.074 312 R CA 0.585 56.723 56.100 0.065 0.000 0.991 312 R CB -0.050 30.287 30.300 0.061 0.000 0.883 312 R HN 0.242 nan 8.270 nan 0.000 0.457 313 W N 0.252 121.506 121.300 -0.077 0.000 3.139 313 W HA 0.185 4.847 4.660 0.004 0.000 0.260 313 W C 1.318 177.767 176.519 -0.117 0.000 1.312 313 W CA 0.021 57.319 57.345 -0.080 0.000 1.606 313 W CB 0.022 29.453 29.460 -0.048 0.000 1.118 313 W HN -0.018 nan 8.180 nan 0.000 0.675 314 L N -0.058 121.185 121.223 0.032 0.000 2.093 314 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 314 L C 1.350 178.018 176.870 -0.337 0.000 1.085 314 L CA 0.960 55.748 54.840 -0.087 0.000 0.755 314 L CB -0.766 41.299 42.059 0.010 0.000 0.904 314 L HN -0.076 nan 8.230 nan 0.000 0.435 315 E N 1.668 121.497 120.200 -0.618 0.000 2.384 315 E HA 0.052 4.402 4.350 -0.000 0.000 0.266 315 E C -0.471 175.997 176.600 -0.219 0.000 1.012 315 E CA 0.013 56.042 56.400 -0.619 0.000 0.901 315 E CB 0.477 29.895 29.700 -0.471 0.000 0.967 315 E HN 0.450 nan 8.360 nan 0.000 0.435 316 N N 1.307 119.946 118.700 -0.102 0.000 2.934 316 N HA 0.162 4.902 4.740 -0.000 0.000 0.253 316 N C -1.228 174.296 175.510 0.022 0.000 1.466 316 N CA -0.618 52.416 53.050 -0.027 0.000 0.858 316 N CB 0.903 39.390 38.487 -0.001 0.000 1.459 316 N HN 0.327 nan 8.380 nan 0.000 0.532 317 D N -1.950 118.478 120.400 0.046 0.000 2.462 317 D HA 0.262 4.902 4.640 -0.000 0.000 0.221 317 D C 1.020 177.375 176.300 0.092 0.000 1.173 317 D CA 0.191 54.241 54.000 0.083 0.000 0.831 317 D CB -0.316 40.563 40.800 0.133 0.000 1.001 317 D HN 1.061 nan 8.370 nan 0.000 0.499 318 G N 0.156 108.992 108.800 0.061 0.000 2.234 318 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.235 318 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.235 318 G C 0.689 175.612 174.900 0.037 0.000 0.997 318 G CA 0.351 45.489 45.100 0.063 0.000 0.623 318 G HN 0.333 nan 8.290 nan 0.000 0.514 319 I N -0.573 119.971 120.570 -0.044 0.000 4.399 319 I HA 0.316 4.486 4.170 -0.000 0.000 0.301 319 I C 0.643 176.677 176.117 -0.138 0.000 1.198 319 I CA 0.606 61.816 61.300 -0.150 0.000 1.315 319 I CB 0.640 38.319 38.000 -0.536 0.000 1.452 319 I HN 0.031 nan 8.210 nan 0.000 0.457 320 V N 2.224 122.053 119.914 -0.141 0.000 2.680 320 V HA 0.349 4.469 4.120 -0.000 0.000 0.309 320 V C -0.599 175.493 176.094 -0.003 0.000 1.052 320 V CA -0.873 61.397 62.300 -0.050 0.000 0.908 320 V CB 1.959 33.755 31.823 -0.044 0.000 1.001 320 V HN 0.261 nan 8.190 nan 0.000 0.431 321 N N 1.978 120.687 118.700 0.016 0.000 2.468 321 N HA 0.163 4.903 4.740 -0.000 0.000 0.265 321 N C 1.146 176.573 175.510 -0.139 0.000 1.199 321 N CA 0.033 53.066 53.050 -0.030 0.000 0.928 321 N CB 0.817 39.336 38.487 0.053 0.000 1.059 321 N HN 0.703 nan 8.380 nan 0.000 0.467 322 T N 0.489 114.965 114.554 -0.130 0.000 2.699 322 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 322 T C 1.832 176.413 174.700 -0.198 0.000 1.036 322 T CA 0.928 62.957 62.100 -0.119 0.000 1.147 322 T CB -0.130 68.684 68.868 -0.090 0.000 0.862 322 T HN 0.407 nan 8.240 nan 0.000 0.446 323 V N 1.142 120.853 119.914 -0.339 0.000 2.720 323 V HA -0.112 4.008 4.120 -0.000 0.000 0.256 323 V C 2.387 178.198 176.094 -0.472 0.000 1.082 323 V CA 2.090 64.131 62.300 -0.432 0.000 1.101 323 V CB -0.475 30.962 31.823 -0.645 0.000 0.693 323 V HN 0.527 nan 8.190 nan 0.000 0.479 324 S N -1.165 114.228 115.700 -0.511 0.000 2.562 324 S HA 0.058 4.528 4.470 -0.000 0.000 0.221 324 S C 1.608 176.113 174.600 -0.159 0.000 0.975 324 S CA 0.833 58.803 58.200 -0.383 0.000 0.918 324 S CB -0.252 62.735 63.200 -0.355 0.000 0.772 324 S HN 0.693 nan 8.310 nan 0.000 0.531 325 M N 1.685 121.220 119.600 -0.109 0.000 2.501 325 M HA 0.107 4.587 4.480 -0.000 0.000 0.261 325 M C 1.687 178.031 176.300 0.073 0.000 1.129 325 M CA 0.329 55.642 55.300 0.021 0.000 1.126 325 M CB -0.289 32.337 32.600 0.042 0.000 1.359 325 M HN 0.322 nan 8.290 nan 0.000 0.471 326 N N 1.375 120.047 118.700 -0.047 0.000 2.453 326 N HA 0.036 4.776 4.740 -0.000 0.000 0.183 326 N C 0.589 175.932 175.510 -0.279 0.000 1.041 326 N CA 1.329 54.334 53.050 -0.076 0.000 0.900 326 N CB 0.016 38.457 38.487 -0.076 0.000 0.961 326 N HN 0.338 nan 8.380 nan 0.000 0.443 327 G N -0.853 107.634 108.800 -0.522 0.000 2.350 327 G HA2 0.169 4.129 3.960 -0.000 0.000 0.304 327 G HA3 0.169 4.129 3.960 -0.000 0.000 0.304 327 G C -3.513 170.845 174.900 -0.903 0.000 1.421 327 G CA -0.903 43.389 45.100 -1.347 0.000 0.934 327 G HN 0.050 nan 8.290 nan 0.000 0.632 328 P HA 0.296 nan 4.420 nan 0.000 0.276 328 P C -0.353 176.775 177.300 -0.287 0.000 1.230 328 P CA 0.097 62.945 63.100 -0.420 0.000 0.776 328 P CB 2.039 33.542 31.700 -0.328 0.000 0.888 329 K N 1.305 121.614 120.400 -0.151 0.000 2.585 329 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 329 K C 0.570 177.155 176.600 -0.025 0.000 1.403 329 K CA -0.271 55.962 56.287 -0.090 0.000 1.021 329 K CB 0.232 32.681 32.500 -0.086 0.000 1.558 329 K HN 0.244 nan 8.250 nan 0.000 0.524 330 R N 1.539 122.046 120.500 0.012 0.000 2.404 330 R HA 0.074 4.414 4.340 -0.000 0.000 0.315 330 R C 0.608 176.924 176.300 0.026 0.000 1.032 330 R CA 0.915 57.042 56.100 0.044 0.000 0.992 330 R CB -0.164 30.190 30.300 0.090 0.000 0.959 330 R HN 0.670 nan 8.270 nan 0.000 0.428 331 G N 1.760 110.576 108.800 0.026 0.000 2.153 331 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.252 331 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.252 331 G C 0.119 175.034 174.900 0.025 0.000 0.994 331 G CA 0.751 45.870 45.100 0.032 0.000 0.698 331 G HN 0.634 nan 8.290 nan 0.000 0.521 332 S N -0.897 114.805 115.700 0.004 0.000 2.536 332 S HA 0.730 5.200 4.470 -0.000 0.000 0.298 332 S C 1.094 175.691 174.600 -0.005 0.000 1.083 332 S CA 0.626 58.820 58.200 -0.009 0.000 0.995 332 S CB 1.681 64.849 63.200 -0.053 0.000 1.058 332 S HN 1.211 nan 8.310 nan 0.000 0.488 333 S N 1.965 117.668 115.700 0.005 0.000 2.554 333 S HA 0.278 4.748 4.470 -0.000 0.000 0.226 333 S C -0.175 174.432 174.600 0.011 0.000 0.980 333 S CA -0.453 57.753 58.200 0.010 0.000 0.939 333 S CB -0.274 62.938 63.200 0.020 0.000 0.832 333 S HN 0.665 nan 8.310 nan 0.000 0.486 334 D N 3.005 123.411 120.400 0.009 0.000 2.423 334 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 334 D C 0.254 176.587 176.300 0.055 0.000 1.142 334 D CA 0.412 54.440 54.000 0.047 0.000 0.884 334 D CB 0.513 41.371 40.800 0.098 0.000 1.199 334 D HN 0.291 nan 8.370 nan 0.000 0.438 335 R N 1.683 122.240 120.500 0.093 0.000 2.460 335 R HA 0.570 4.910 4.340 -0.000 0.000 0.303 335 R C -0.364 176.025 176.300 0.148 0.000 0.968 335 R CA -0.705 55.443 56.100 0.079 0.000 0.889 335 R CB 1.338 31.668 30.300 0.050 0.000 1.123 335 R HN 0.368 nan 8.270 nan 0.000 0.455 336 I N 3.412 124.039 120.570 0.094 0.000 2.406 336 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 336 I C -0.201 175.967 176.117 0.084 0.000 0.999 336 I CA -1.117 60.253 61.300 0.117 0.000 1.124 336 I CB 1.966 39.973 38.000 0.011 0.000 1.289 336 I HN 0.335 nan 8.210 nan 0.000 0.441 337 V N 4.157 124.137 119.914 0.110 0.000 2.588 337 V HA 0.624 4.744 4.120 -0.000 0.000 0.304 337 V C -2.828 173.321 176.094 0.092 0.000 1.042 337 V CA -2.638 59.711 62.300 0.081 0.000 0.877 337 V CB 1.593 33.461 31.823 0.075 0.000 0.996 337 V HN 0.436 nan 8.190 nan 0.000 0.425 338 P HA 0.086 nan 4.420 nan 0.000 0.264 338 P C -0.803 176.564 177.300 0.111 0.000 1.193 338 P CA 0.243 63.389 63.100 0.076 0.000 0.763 338 P CB -0.046 31.678 31.700 0.040 0.000 0.810 339 Y N 4.376 124.674 120.300 -0.003 0.000 2.802 339 Y HA -0.064 4.486 4.550 -0.000 0.000 0.333 339 Y C 1.031 176.932 175.900 0.000 0.000 1.244 339 Y CA 0.032 58.129 58.100 -0.006 0.000 1.558 339 Y CB -0.051 38.391 38.460 -0.029 0.000 1.233 339 Y HN 0.431 nan 8.280 nan 0.000 0.547 340 D N 2.423 122.595 120.400 -0.380 0.000 2.398 340 D HA 0.236 4.876 4.640 -0.000 0.000 0.210 340 D C 1.473 177.438 176.300 -0.559 0.000 1.094 340 D CA 0.514 54.291 54.000 -0.371 0.000 0.839 340 D CB 0.258 40.964 40.800 -0.157 0.000 0.963 340 D HN 0.785 nan 8.370 nan 0.000 0.506 341 G N -0.424 107.695 108.800 -1.135 0.000 2.284 341 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.201 341 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.201 341 G C 0.243 175.014 174.900 -0.215 0.000 0.998 341 G CA 0.075 44.748 45.100 -0.712 0.000 0.651 341 G HN 0.772 nan 8.290 nan 0.000 0.489 342 T N 0.619 115.113 114.554 -0.100 0.000 2.848 342 T HA 0.694 5.044 4.350 -0.000 0.000 0.285 342 T C -0.113 174.722 174.700 0.225 0.000 0.995 342 T CA -0.664 61.498 62.100 0.104 0.000 0.970 342 T CB 1.382 70.281 68.868 0.051 0.000 0.976 342 T HN 0.535 nan 8.240 nan 0.000 0.441 343 L N 4.133 125.499 121.223 0.238 0.000 2.331 343 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 343 L C 0.478 177.534 176.870 0.309 0.000 1.106 343 L CA -0.602 54.381 54.840 0.239 0.000 0.824 343 L CB 0.857 42.967 42.059 0.085 0.000 1.142 343 L HN 0.602 nan 8.230 nan 0.000 0.443 344 K N 3.091 123.661 120.400 0.284 0.000 2.203 344 K HA 0.484 4.804 4.320 -0.000 0.000 0.251 344 K C -0.781 175.865 176.600 0.075 0.000 0.944 344 K CA -0.983 55.420 56.287 0.192 0.000 0.829 344 K CB 2.211 34.769 32.500 0.098 0.000 1.125 344 K HN 0.372 nan 8.250 nan 0.000 0.430 345 K N 0.087 120.339 120.400 -0.247 0.000 2.168 345 K HA 0.161 4.481 4.320 -0.000 0.000 0.258 345 K C 0.844 177.331 176.600 -0.187 0.000 1.010 345 K CA 0.653 56.635 56.287 -0.508 0.000 0.929 345 K CB 0.865 32.950 32.500 -0.692 0.000 0.998 345 K HN 0.860 nan 8.250 nan 0.000 0.479 346 G N -0.212 108.523 108.800 -0.109 0.000 2.196 346 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.268 346 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.268 346 G C -0.028 174.839 174.900 -0.056 0.000 0.975 346 G CA 0.787 45.873 45.100 -0.025 0.000 0.648 346 G HN 0.562 nan 8.290 nan 0.000 0.538 347 V N -5.235 114.646 119.914 -0.055 0.000 3.160 347 V HA 0.883 5.003 4.120 -0.000 0.000 0.310 347 V C -0.479 175.530 176.094 -0.143 0.000 1.181 347 V CA -2.365 59.891 62.300 -0.072 0.000 1.047 347 V CB 1.320 33.156 31.823 0.022 0.000 1.068 347 V HN 0.347 nan 8.190 nan 0.000 0.441 348 W N 1.529 122.819 121.300 -0.016 0.000 2.331 348 W HA 0.526 5.186 4.660 0.001 0.000 0.306 348 W C 0.392 176.932 176.519 0.034 0.000 1.162 348 W CA -0.172 57.177 57.345 0.007 0.000 1.232 348 W CB 0.720 30.122 29.460 -0.097 0.000 1.235 348 W HN 0.537 nan 8.180 nan 0.000 0.479 349 N N 3.513 122.339 118.700 0.210 0.000 2.500 349 N HA -0.032 4.707 4.740 -0.000 0.000 0.236 349 N C -0.799 174.773 175.510 0.103 0.000 1.022 349 N CA -0.233 52.909 53.050 0.154 0.000 0.935 349 N CB 0.915 39.469 38.487 0.112 0.000 1.147 349 N HN 0.410 nan 8.380 nan 0.000 0.512 350 D N 3.490 123.957 120.400 0.111 0.000 2.348 350 D HA 0.016 4.656 4.640 -0.000 0.000 0.259 350 D C 0.913 177.201 176.300 -0.021 0.000 1.296 350 D CA -0.127 53.900 54.000 0.046 0.000 0.931 350 D CB 0.688 41.522 40.800 0.056 0.000 1.067 350 D HN 0.296 nan 8.370 nan 0.000 0.503 351 M N 2.277 121.736 119.600 -0.235 0.000 2.618 351 M HA 0.217 4.697 4.480 -0.000 0.000 0.240 351 M C 1.160 177.397 176.300 -0.105 0.000 1.123 351 M CA 0.090 55.161 55.300 -0.382 0.000 1.060 351 M CB -1.010 30.888 32.600 -1.170 0.000 1.535 351 M HN 0.538 nan 8.290 nan 0.000 0.507 352 G N 0.231 109.031 108.800 0.000 0.000 2.525 352 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.685 352 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.685 352 G C -0.885 174.135 174.900 0.199 0.000 1.290 352 G CA -0.981 44.172 45.100 0.088 0.000 0.915 352 G HN 0.170 nan 8.290 nan 0.000 0.548 353 T N 0.828 115.449 114.554 0.111 0.000 2.797 353 T HA 0.650 5.000 4.350 -0.000 0.000 0.279 353 T C -1.061 173.681 174.700 0.070 0.000 0.991 353 T CA -0.114 62.087 62.100 0.167 0.000 0.979 353 T CB 1.202 70.114 68.868 0.073 0.000 0.943 353 T HN 0.492 nan 8.240 nan 0.000 0.444 354 Y N 1.731 122.092 120.300 0.101 0.000 2.409 354 Y HA 0.347 4.897 4.550 -0.000 0.000 0.339 354 Y C 1.040 176.927 175.900 -0.022 0.000 1.033 354 Y CA -1.330 56.802 58.100 0.052 0.000 1.094 354 Y CB 1.111 39.587 38.460 0.026 0.000 1.210 354 Y HN 0.601 nan 8.280 nan 0.000 0.456 355 N N 2.730 121.475 118.700 0.075 0.000 3.178 355 N HA 0.327 5.067 4.740 -0.000 0.000 0.300 355 N C -1.661 173.832 175.510 -0.029 0.000 1.242 355 N CA 0.108 53.179 53.050 0.035 0.000 1.192 355 N CB -0.048 38.464 38.487 0.041 0.000 1.463 355 N HN 0.317 nan 8.380 nan 0.000 0.539 356 V N 1.191 121.051 119.914 -0.091 0.000 2.932 356 V HA 0.176 4.296 4.120 -0.000 0.000 0.307 356 V C -0.458 175.564 176.094 -0.120 0.000 1.147 356 V CA -1.074 61.090 62.300 -0.227 0.000 0.951 356 V CB 2.152 33.579 31.823 -0.660 0.000 1.031 356 V HN 0.486 nan 8.190 nan 0.000 0.426 357 D N 0.505 120.864 120.400 -0.068 0.000 2.423 357 D HA 0.209 4.849 4.640 -0.000 0.000 0.255 357 D C 1.085 177.417 176.300 0.053 0.000 1.174 357 D CA -0.150 53.866 54.000 0.027 0.000 1.008 357 D CB 0.490 41.332 40.800 0.070 0.000 1.101 357 D HN 0.573 nan 8.370 nan 0.000 0.516 358 H N -0.876 118.218 119.070 0.039 0.000 2.357 358 H HA -0.080 4.476 4.556 0.001 0.000 0.296 358 H C 1.479 176.865 175.328 0.096 0.000 1.108 358 H CA 2.056 58.169 56.048 0.109 0.000 1.273 358 H CB 0.002 29.833 29.762 0.115 0.000 1.367 358 H HN 0.362 nan 8.280 nan 0.000 0.498 359 L N -0.760 120.523 121.223 0.101 0.000 2.354 359 L HA 0.051 4.391 4.340 -0.000 0.000 0.212 359 L C 2.051 178.860 176.870 -0.101 0.000 1.091 359 L CA 0.441 55.263 54.840 -0.030 0.000 0.828 359 L CB -0.094 41.996 42.059 0.053 0.000 0.973 359 L HN 0.290 nan 8.230 nan 0.000 0.461 360 E N 0.522 120.686 120.200 -0.060 0.000 2.150 360 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 360 E C 2.026 178.567 176.600 -0.099 0.000 0.985 360 E CA 0.880 57.251 56.400 -0.048 0.000 0.814 360 E CB -0.001 29.669 29.700 -0.048 0.000 0.752 360 E HN 0.288 nan 8.360 nan 0.000 0.466 361 I N 1.474 121.886 120.570 -0.264 0.000 2.567 361 I HA -0.187 3.983 4.170 -0.000 0.000 0.257 361 I C 1.859 177.903 176.117 -0.121 0.000 1.184 361 I CA 1.123 62.212 61.300 -0.351 0.000 1.451 361 I CB 0.069 37.820 38.000 -0.415 0.000 1.089 361 I HN 0.121 nan 8.210 nan 0.000 0.441 362 I N -3.661 116.710 120.570 -0.330 0.000 4.025 362 I HA 0.522 4.692 4.170 -0.000 0.000 0.336 362 I C 1.468 177.402 176.117 -0.306 0.000 1.390 362 I CA 0.397 61.429 61.300 -0.446 0.000 1.099 362 I CB -0.230 37.091 38.000 -1.132 0.000 1.049 362 I HN 0.160 nan 8.210 nan 0.000 0.394 363 G N 1.613 110.349 108.800 -0.108 0.000 2.179 363 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 363 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 363 G C 0.713 175.575 174.900 -0.064 0.000 0.977 363 G CA 0.458 45.533 45.100 -0.041 0.000 0.641 363 G HN 0.275 nan 8.290 nan 0.000 0.533 364 V N 0.077 119.919 119.914 -0.120 0.000 2.515 364 V HA 0.102 4.222 4.120 -0.000 0.000 0.250 364 V C 1.183 177.338 176.094 0.103 0.000 1.058 364 V CA 2.168 64.484 62.300 0.027 0.000 1.064 364 V CB -0.026 31.777 31.823 -0.033 0.000 0.675 364 V HN 0.590 nan 8.190 nan 0.000 0.461 365 D N -0.504 119.929 120.400 0.055 0.000 2.362 365 D HA 0.367 5.007 4.640 -0.000 0.000 0.247 365 D C -2.634 173.718 176.300 0.086 0.000 1.050 365 D CA -2.156 51.892 54.000 0.079 0.000 0.839 365 D CB 2.301 43.145 40.800 0.072 0.000 1.283 365 D HN 0.048 nan 8.370 nan 0.000 0.477 366 P HA 0.196 nan 4.420 nan 0.000 0.274 366 P C -0.900 176.465 177.300 0.107 0.000 1.237 366 P CA -0.361 62.801 63.100 0.102 0.000 0.793 366 P CB 0.615 32.369 31.700 0.091 0.000 0.977 367 N N 1.948 120.727 118.700 0.131 0.000 3.151 367 N HA 0.148 4.888 4.740 -0.000 0.000 0.219 367 N C -2.377 173.227 175.510 0.157 0.000 1.434 367 N CA -1.241 51.895 53.050 0.144 0.000 0.767 367 N CB 0.265 38.853 38.487 0.169 0.000 1.564 367 N HN -0.014 nan 8.380 nan 0.000 0.612 368 P HA -0.130 nan 4.420 nan 0.000 0.218 368 P C 1.249 178.601 177.300 0.087 0.000 1.146 368 P CA 1.355 64.504 63.100 0.081 0.000 0.813 368 P CB 0.299 32.035 31.700 0.061 0.000 0.778 369 S N -2.157 113.613 115.700 0.116 0.000 2.522 369 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 369 S C 0.513 175.230 174.600 0.195 0.000 0.986 369 S CA -0.185 58.089 58.200 0.123 0.000 0.929 369 S CB -0.964 62.303 63.200 0.111 0.000 0.769 369 S HN 0.018 nan 8.310 nan 0.000 0.529 370 F N 3.604 123.577 119.950 0.038 0.000 2.371 370 F HA 0.443 4.970 4.527 0.001 0.000 0.363 370 F C -0.199 175.625 175.800 0.039 0.000 1.122 370 F CA -2.183 55.839 58.000 0.036 0.000 1.129 370 F CB 0.800 39.802 39.000 0.003 0.000 1.173 370 F HN -0.042 nan 8.300 nan 0.000 0.489 371 D N 7.067 127.305 120.400 -0.271 0.000 2.551 371 D HA -0.017 4.623 4.640 -0.000 0.000 0.223 371 D C 1.573 177.459 176.300 -0.690 0.000 1.144 371 D CA 0.256 54.048 54.000 -0.347 0.000 1.025 371 D CB -0.128 40.592 40.800 -0.133 0.000 1.085 371 D HN 0.820 nan 8.370 nan 0.000 0.506 372 I N 2.664 122.652 120.570 -0.970 0.000 2.264 372 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 372 I C 2.276 178.360 176.117 -0.055 0.000 1.111 372 I CA 0.918 61.740 61.300 -0.797 0.000 1.382 372 I CB 0.173 38.009 38.000 -0.273 0.000 1.060 372 I HN 0.227 nan 8.210 nan 0.000 0.418 373 R N 0.474 120.858 120.500 -0.195 0.000 2.075 373 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 373 R C 2.319 178.570 176.300 -0.083 0.000 1.126 373 R CA 1.497 57.440 56.100 -0.262 0.000 0.963 373 R CB -0.314 29.554 30.300 -0.721 0.000 0.858 373 R HN 0.503 nan 8.270 nan 0.000 0.435 374 A N 0.192 122.940 122.820 -0.121 0.000 1.930 374 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 374 A C 1.933 179.500 177.584 -0.028 0.000 1.175 374 A CA 1.107 53.105 52.037 -0.064 0.000 0.627 374 A CB -0.693 18.275 19.000 -0.053 0.000 0.815 374 A HN 0.482 nan 8.150 nan 0.000 0.443 375 F N -0.614 119.221 119.950 -0.192 0.000 2.069 375 F HA -0.226 4.301 4.527 0.000 0.000 0.298 375 F C 2.126 177.701 175.800 -0.374 0.000 1.113 375 F CA 2.040 59.879 58.000 -0.269 0.000 1.214 375 F CB -0.387 38.425 39.000 -0.313 0.000 0.978 375 F HN 0.294 nan 8.300 nan 0.000 0.474 376 Y N 0.184 120.542 120.300 0.097 0.000 2.314 376 Y HA -0.122 4.428 4.550 -0.000 0.000 0.293 376 Y C 2.282 178.087 175.900 -0.159 0.000 1.129 376 Y CA 1.273 59.355 58.100 -0.029 0.000 1.201 376 Y CB -0.617 37.934 38.460 0.151 0.000 0.999 376 Y HN 0.078 nan 8.280 nan 0.000 0.541 377 L N -0.581 120.648 121.223 0.009 0.000 2.093 377 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 377 L C 2.635 179.383 176.870 -0.202 0.000 1.085 377 L CA 1.279 56.075 54.840 -0.072 0.000 0.755 377 L CB -0.376 41.684 42.059 0.002 0.000 0.904 377 L HN 0.123 nan 8.230 nan 0.000 0.435 378 R N 0.105 120.476 120.500 -0.215 0.000 2.075 378 R HA -0.186 4.154 4.340 -0.000 0.000 0.232 378 R C 2.287 178.393 176.300 -0.324 0.000 1.126 378 R CA 1.200 57.160 56.100 -0.234 0.000 0.963 378 R CB -0.164 30.009 30.300 -0.213 0.000 0.858 378 R HN 0.171 nan 8.270 nan 0.000 0.435 379 L N 0.688 121.635 121.223 -0.459 0.000 2.083 379 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 379 L C 2.138 178.779 176.870 -0.382 0.000 1.083 379 L CA 2.073 56.644 54.840 -0.448 0.000 0.752 379 L CB -0.786 40.899 42.059 -0.622 0.000 0.899 379 L HN 0.228 nan 8.230 nan 0.000 0.433 380 A N -0.763 121.789 122.820 -0.448 0.000 1.898 380 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 380 A C 2.325 179.455 177.584 -0.758 0.000 1.181 380 A CA 1.624 53.267 52.037 -0.656 0.000 0.620 380 A CB -0.674 17.764 19.000 -0.935 0.000 0.819 380 A HN 0.609 nan 8.150 nan 0.000 0.442 381 E N -0.262 119.564 120.200 -0.622 0.000 2.110 381 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 381 E C 2.128 178.605 176.600 -0.206 0.000 0.988 381 E CA 1.366 57.589 56.400 -0.296 0.000 0.804 381 E CB -0.172 29.458 29.700 -0.116 0.000 0.745 381 E HN 0.757 nan 8.360 nan 0.000 0.458 382 Q N 0.144 119.801 119.800 -0.239 0.000 2.050 382 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 382 Q C 2.459 178.292 176.000 -0.278 0.000 0.980 382 Q CA 1.431 57.108 55.803 -0.210 0.000 0.840 382 Q CB -0.082 28.534 28.738 -0.203 0.000 0.898 382 Q HN 0.376 nan 8.270 nan 0.000 0.424 383 L N 0.130 121.124 121.223 -0.380 0.000 2.083 383 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 383 L C 2.442 178.990 176.870 -0.535 0.000 1.083 383 L CA 0.917 55.389 54.840 -0.614 0.000 0.752 383 L CB -0.558 40.995 42.059 -0.842 0.000 0.899 383 L HN 0.199 nan 8.230 nan 0.000 0.433 384 A N -0.205 122.443 122.820 -0.287 0.000 2.121 384 A HA -0.157 4.163 4.320 -0.000 0.000 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