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 2o2s_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIDLRGQTAF VAGVADSHGY GWAIAKHLAS AGARVALGTW PPVLGLFQKS DATA SEQUENCE LQSGRLDEDR KLPDGSLIEF AGVYPLDAAF DKPEDVPQDI KDNKRYAGVD DATA SEQUENCE GYTIKEVAVK VKQDLGNIDI LVHSLANGPE VTKPLLETSR KGYLAASSNS DATA SEQUENCE AYSFVSLLQH FGPIMNEGGS AVTLSYLAAE RVVPGYGGGM SSAKAALESD DATA SEQUENCE TRTLAWEAGQ KYGVRVNAIS AGPLKSRAAS AIGKSGEKSF IDYAIDYSYN DATA SEQUENCE NAPLRRDLHS DDVGGAALFL LSPLARAVSG VTLYVDNGLH AMGQAVDSRS DATA SEQUENCE MPP 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.326 177.300 0.044 0.000 1.155 4 P CA 0.000 63.119 63.100 0.031 0.000 0.800 4 P CB 0.000 31.716 31.700 0.027 0.000 0.726 5 I N -0.453 120.146 120.570 0.049 0.000 2.569 5 I HA 0.763 4.934 4.170 0.001 0.000 0.290 5 I C -1.519 174.624 176.117 0.043 0.000 1.088 5 I CA -0.564 60.769 61.300 0.055 0.000 1.047 5 I CB 2.516 40.564 38.000 0.080 0.000 1.237 5 I HN -0.059 nan 8.210 nan 0.000 0.421 6 D N 5.780 126.201 120.400 0.035 0.000 2.542 6 D HA 0.450 5.091 4.640 0.001 0.000 0.252 6 D C -0.293 176.021 176.300 0.023 0.000 1.222 6 D CA -0.322 53.693 54.000 0.026 0.000 0.895 6 D CB 1.943 42.756 40.800 0.021 0.000 1.207 6 D HN 0.690 nan 8.370 nan 0.000 0.558 7 L N 2.877 124.113 121.223 0.022 0.000 2.769 7 L HA 0.331 4.671 4.340 0.001 0.000 0.240 7 L C 0.902 177.783 176.870 0.018 0.000 1.163 7 L CA -0.308 54.545 54.840 0.021 0.000 0.962 7 L CB 0.112 42.185 42.059 0.025 0.000 1.258 7 L HN 0.083 nan 8.230 nan 0.000 0.513 8 R N 0.533 121.042 120.500 0.015 0.000 2.522 8 R HA 0.245 4.586 4.340 0.001 0.000 0.284 8 R C 1.198 177.507 176.300 0.016 0.000 1.032 8 R CA 0.901 57.009 56.100 0.013 0.000 1.049 8 R CB 0.301 30.607 30.300 0.009 0.000 0.956 8 R HN 0.318 nan 8.270 nan 0.000 0.422 9 G N 1.633 110.443 108.800 0.018 0.000 2.194 9 G HA2 -0.262 3.698 3.960 0.001 0.000 0.236 9 G HA3 -0.262 3.698 3.960 0.001 0.000 0.236 9 G C 0.007 174.922 174.900 0.025 0.000 0.987 9 G CA -0.281 44.831 45.100 0.020 0.000 0.635 9 G HN 0.558 nan 8.290 nan 0.000 0.520 10 Q N 0.358 120.174 119.800 0.028 0.000 2.266 10 Q HA 0.663 5.003 4.340 0.001 0.000 0.261 10 Q C -0.800 175.228 176.000 0.046 0.000 0.985 10 Q CA -0.300 55.523 55.803 0.033 0.000 0.873 10 Q CB 1.960 30.714 28.738 0.028 0.000 1.306 10 Q HN 0.179 nan 8.270 nan 0.000 0.447 11 T N 0.737 115.326 114.554 0.059 0.000 2.863 11 T HA 0.716 5.066 4.350 0.001 0.000 0.285 11 T C -1.194 173.564 174.700 0.098 0.000 1.009 11 T CA -0.615 61.536 62.100 0.085 0.000 0.989 11 T CB 1.567 70.496 68.868 0.102 0.000 1.004 11 T HN 0.658 nan 8.240 nan 0.000 0.455 12 A N 2.150 125.041 122.820 0.118 0.000 2.435 12 A HA 0.839 5.160 4.320 0.001 0.000 0.304 12 A C -1.636 176.064 177.584 0.192 0.000 1.064 12 A CA -0.683 51.427 52.037 0.121 0.000 0.727 12 A CB 1.169 20.214 19.000 0.074 0.000 1.284 12 A HN 0.791 nan 8.150 nan 0.000 0.415 13 F N 2.676 122.623 119.950 -0.006 0.000 2.427 13 F HA 0.569 5.096 4.527 0.000 0.000 0.348 13 F C -0.776 174.980 175.800 -0.073 0.000 1.125 13 F CA -0.520 57.463 58.000 -0.028 0.000 0.989 13 F CB 1.665 40.587 39.000 -0.131 0.000 1.165 13 F HN 0.307 nan 8.300 nan 0.000 0.442 14 V N 6.369 126.044 119.914 -0.398 0.000 2.333 14 V HA 0.615 4.735 4.120 0.001 0.000 0.274 14 V C 0.130 175.961 176.094 -0.438 0.000 1.028 14 V CA -0.678 61.451 62.300 -0.284 0.000 0.851 14 V CB 0.857 32.578 31.823 -0.169 0.000 1.000 14 V HN 0.896 nan 8.190 nan 0.000 0.456 15 A N 3.803 126.493 122.820 -0.216 0.000 2.260 15 A HA 0.742 5.063 4.320 0.001 0.000 0.308 15 A C 0.881 178.393 177.584 -0.119 0.000 1.254 15 A CA 0.216 52.187 52.037 -0.110 0.000 0.874 15 A CB 0.433 19.523 19.000 0.150 0.000 1.153 15 A HN 1.952 nan 8.150 nan 0.000 0.527 16 G N 1.164 109.893 108.800 -0.119 0.000 2.618 16 G HA2 0.119 4.079 3.960 0.001 0.000 0.180 16 G HA3 0.119 4.079 3.960 0.001 0.000 0.180 16 G C -0.615 174.196 174.900 -0.149 0.000 1.092 16 G CA -0.153 44.868 45.100 -0.131 0.000 0.856 16 G HN 1.412 nan 8.290 nan 0.000 0.496 17 V N -0.028 119.768 119.914 -0.197 0.000 2.409 17 V HA 0.762 4.882 4.120 0.001 0.000 0.290 17 V C 0.708 176.418 176.094 -0.639 0.000 1.017 17 V CA 0.345 62.466 62.300 -0.298 0.000 0.841 17 V CB 1.135 32.815 31.823 -0.238 0.000 1.003 17 V HN 1.200 nan 8.190 nan 0.000 0.426 18 A N 3.890 126.315 122.820 -0.658 0.000 2.340 18 A HA 0.504 4.825 4.320 0.001 0.000 0.213 18 A C 0.353 177.474 177.584 -0.771 0.000 1.299 18 A CA 0.646 52.169 52.037 -0.856 0.000 0.994 18 A CB 0.280 19.115 19.000 -0.276 0.000 1.132 18 A HN 0.832 nan 8.150 nan 0.000 0.519 19 D N -2.480 117.642 120.400 -0.462 0.000 2.744 19 D HA 0.410 5.051 4.640 0.001 0.000 0.304 19 D C 0.418 176.486 176.300 -0.388 0.000 1.179 19 D CA 0.262 54.124 54.000 -0.229 0.000 1.024 19 D CB 0.525 41.290 40.800 -0.059 0.000 1.453 19 D HN -0.057 nan 8.370 nan 0.000 0.529 20 S N -2.042 113.213 115.700 -0.741 0.000 2.556 20 S HA 0.032 4.502 4.470 0.001 0.000 0.216 20 S C 0.463 174.477 174.600 -0.977 0.000 0.970 20 S CA -0.216 57.048 58.200 -1.561 0.000 0.912 20 S CB -0.500 61.712 63.200 -1.646 0.000 0.790 20 S HN 0.489 nan 8.310 nan 0.000 0.504 21 H N 0.977 119.840 119.070 -0.345 0.000 2.551 21 H HA 0.320 4.877 4.556 0.001 0.000 0.271 21 H C 1.201 176.420 175.328 -0.182 0.000 0.984 21 H CA 0.263 56.175 56.048 -0.227 0.000 1.164 21 H CB 0.168 29.809 29.762 -0.201 0.000 1.437 21 H HN 0.514 nan 8.280 nan 0.000 0.550 22 G N -0.687 108.099 108.800 -0.023 0.000 2.476 22 G HA2 0.117 4.077 3.960 0.001 0.000 0.286 22 G HA3 0.117 4.077 3.960 0.001 0.000 0.286 22 G C 0.071 175.001 174.900 0.051 0.000 1.177 22 G CA -0.416 44.665 45.100 -0.031 0.000 0.870 22 G HN 0.086 nan 8.290 nan 0.000 0.528 23 Y N 1.199 121.515 120.300 0.027 0.000 2.274 23 Y HA -0.072 4.478 4.550 0.000 0.000 0.290 23 Y C 2.830 178.753 175.900 0.038 0.000 1.145 23 Y CA 1.237 59.352 58.100 0.026 0.000 1.203 23 Y CB -0.543 37.911 38.460 -0.011 0.000 0.984 23 Y HN 0.558 nan 8.280 nan 0.000 0.533 24 G N -0.472 108.429 108.800 0.168 0.000 2.440 24 G HA2 -0.280 3.680 3.960 0.001 0.000 0.218 24 G HA3 -0.280 3.680 3.960 0.001 0.000 0.218 24 G C 1.676 176.655 174.900 0.131 0.000 1.154 24 G CA 0.683 45.834 45.100 0.085 0.000 0.767 24 G HN 0.554 nan 8.290 nan 0.000 0.552 25 W N 1.718 123.021 121.300 0.005 0.000 2.332 25 W HA -0.110 4.550 4.660 0.001 0.000 0.321 25 W C 2.593 179.183 176.519 0.118 0.000 1.219 25 W CA 2.156 59.532 57.345 0.051 0.000 1.277 25 W CB -0.525 28.946 29.460 0.018 0.000 1.161 25 W HN 0.321 nan 8.180 nan 0.000 0.476 26 A N 0.691 123.690 122.820 0.300 0.000 1.978 26 A HA -0.201 4.119 4.320 0.001 0.000 0.220 26 A C 2.057 179.773 177.584 0.220 0.000 1.170 26 A CA 2.041 54.242 52.037 0.274 0.000 0.636 26 A CB -1.004 18.189 19.000 0.321 0.000 0.810 26 A HN 0.395 nan 8.150 nan 0.000 0.448 27 I N -0.515 120.132 120.570 0.129 0.000 2.233 27 I HA -0.219 3.951 4.170 0.001 0.000 0.243 27 I C 2.974 179.127 176.117 0.059 0.000 1.093 27 I CA 0.945 62.290 61.300 0.074 0.000 1.380 27 I CB -0.351 37.666 38.000 0.028 0.000 1.067 27 I HN 0.332 nan 8.210 nan 0.000 0.413 28 A N 0.546 123.364 122.820 -0.005 0.000 1.908 28 A HA -0.279 4.042 4.320 0.001 0.000 0.218 28 A C 2.357 179.897 177.584 -0.074 0.000 1.181 28 A CA 1.878 53.895 52.037 -0.032 0.000 0.627 28 A CB -0.569 18.401 19.000 -0.050 0.000 0.818 28 A HN 0.319 nan 8.150 nan 0.000 0.445 29 K N -1.832 118.467 120.400 -0.168 0.000 2.209 29 K HA -0.178 4.142 4.320 0.001 0.000 0.204 29 K C 1.674 178.207 176.600 -0.113 0.000 1.048 29 K CA 1.495 57.657 56.287 -0.208 0.000 0.940 29 K CB -0.154 32.206 32.500 -0.233 0.000 0.729 29 K HN 0.709 nan 8.250 nan 0.000 0.451 30 H N -0.592 118.447 119.070 -0.051 0.000 2.486 30 H HA 0.103 4.659 4.556 0.001 0.000 0.287 30 H C 1.671 176.992 175.328 -0.012 0.000 1.010 30 H CA 0.715 56.756 56.048 -0.012 0.000 1.324 30 H CB 0.306 30.079 29.762 0.019 0.000 1.446 30 H HN 0.022 nan 8.280 nan 0.000 0.537 31 L N -0.288 120.996 121.223 0.102 0.000 2.056 31 L HA -0.135 4.205 4.340 0.001 0.000 0.207 31 L C 2.652 179.532 176.870 0.015 0.000 1.078 31 L CA 1.069 55.941 54.840 0.054 0.000 0.749 31 L CB -0.466 41.618 42.059 0.042 0.000 0.901 31 L HN 0.311 nan 8.230 nan 0.000 0.433 32 A N 0.335 123.142 122.820 -0.023 0.000 1.877 32 A HA -0.221 4.099 4.320 0.001 0.000 0.216 32 A C 2.497 180.043 177.584 -0.063 0.000 1.186 32 A CA 2.022 54.021 52.037 -0.062 0.000 0.620 32 A CB -0.837 18.082 19.000 -0.134 0.000 0.822 32 A HN 0.514 nan 8.150 nan 0.000 0.443 33 S N -0.324 115.329 115.700 -0.077 0.000 2.500 33 S HA 0.185 4.656 4.470 0.001 0.000 0.239 33 S C 1.529 176.109 174.600 -0.033 0.000 0.989 33 S CA 1.011 59.165 58.200 -0.076 0.000 0.951 33 S CB -0.350 62.773 63.200 -0.128 0.000 0.759 33 S HN 0.924 nan 8.310 nan 0.000 0.523 34 A N 0.467 123.284 122.820 -0.005 0.000 2.345 34 A HA 0.631 4.951 4.320 0.001 0.000 0.225 34 A C 1.529 179.117 177.584 0.007 0.000 1.243 34 A CA 0.220 52.265 52.037 0.015 0.000 0.875 34 A CB -0.845 18.180 19.000 0.041 0.000 0.929 34 A HN 1.469 nan 8.150 nan 0.000 0.502 35 G N -1.470 107.327 108.800 -0.006 0.000 2.132 35 G HA2 0.116 4.077 3.960 0.001 0.000 0.228 35 G HA3 0.116 4.077 3.960 0.001 0.000 0.228 35 G C 0.415 175.316 174.900 0.003 0.000 1.000 35 G CA 0.277 45.373 45.100 -0.007 0.000 0.693 35 G HN 1.514 nan 8.290 nan 0.000 0.515 36 A N -0.255 122.570 122.820 0.008 0.000 2.332 36 A HA 0.731 5.051 4.320 0.001 0.000 0.258 36 A C 0.833 178.430 177.584 0.021 0.000 1.087 36 A CA -0.111 51.938 52.037 0.021 0.000 0.802 36 A CB 0.417 19.436 19.000 0.031 0.000 1.042 36 A HN 0.461 nan 8.150 nan 0.000 0.489 37 R N 0.334 120.859 120.500 0.041 0.000 2.265 37 R HA 0.445 4.786 4.340 0.001 0.000 0.314 37 R C -1.374 174.980 176.300 0.090 0.000 1.053 37 R CA -0.197 55.938 56.100 0.058 0.000 0.931 37 R CB 1.004 31.348 30.300 0.073 0.000 1.024 37 R HN 0.462 nan 8.270 nan 0.000 0.457 38 V N 3.356 123.334 119.914 0.107 0.000 2.350 38 V HA 0.408 4.528 4.120 0.001 0.000 0.285 38 V C -0.005 176.232 176.094 0.239 0.000 1.014 38 V CA -0.837 61.558 62.300 0.158 0.000 0.831 38 V CB 1.366 33.287 31.823 0.163 0.000 1.000 38 V HN 0.860 nan 8.190 nan 0.000 0.433 39 A N 6.148 129.090 122.820 0.203 0.000 2.303 39 A HA 0.927 5.247 4.320 0.001 0.000 0.317 39 A C -0.647 176.895 177.584 -0.069 0.000 1.149 39 A CA -0.504 51.664 52.037 0.220 0.000 0.822 39 A CB 0.834 20.121 19.000 0.478 0.000 1.131 39 A HN 0.793 nan 8.150 nan 0.000 0.493 40 L N 1.239 122.375 121.223 -0.145 0.000 2.330 40 L HA 0.720 5.060 4.340 0.001 0.000 0.271 40 L C 0.609 177.268 176.870 -0.352 0.000 1.013 40 L CA -0.813 53.798 54.840 -0.381 0.000 0.816 40 L CB 2.242 44.101 42.059 -0.334 0.000 1.287 40 L HN 0.793 nan 8.230 nan 0.000 0.435 41 G N 0.026 108.555 108.800 -0.452 0.000 2.417 41 G HA2 0.640 4.600 3.960 0.001 0.000 0.320 41 G HA3 0.640 4.600 3.960 0.001 0.000 0.320 41 G C -0.899 174.002 174.900 0.002 0.000 1.204 41 G CA -0.162 44.894 45.100 -0.074 0.000 0.923 41 G HN 0.439 nan 8.290 nan 0.000 0.466 42 T N 1.789 116.415 114.554 0.119 0.000 2.881 42 T HA 0.233 4.583 4.350 0.001 0.000 0.290 42 T C -0.964 173.842 174.700 0.176 0.000 1.000 42 T CA -0.499 61.652 62.100 0.085 0.000 0.978 42 T CB 1.518 70.443 68.868 0.094 0.000 0.997 42 T HN 0.546 nan 8.240 nan 0.000 0.443 43 W N 6.101 127.366 121.300 -0.058 0.000 2.417 43 W HA 0.229 4.889 4.660 0.000 0.000 0.332 43 W C -2.142 174.286 176.519 -0.152 0.000 1.413 43 W CA -1.628 55.670 57.345 -0.078 0.000 1.299 43 W CB 0.351 29.756 29.460 -0.092 0.000 1.304 43 W HN 0.528 nan 8.180 nan 0.000 0.565 44 P HA -0.185 nan 4.420 nan 0.000 0.215 44 P C -1.139 175.698 177.300 -0.772 0.000 1.153 44 P CA 2.482 65.236 63.100 -0.576 0.000 0.853 44 P CB -0.778 30.465 31.700 -0.763 0.000 0.788 45 P HA -0.154 nan 4.420 nan 0.000 0.218 45 P C 1.240 178.194 177.300 -0.576 0.000 1.147 45 P CA 1.509 63.990 63.100 -1.031 0.000 0.827 45 P CB -0.476 30.301 31.700 -1.540 0.000 0.778 46 V N -5.403 114.255 119.914 -0.427 0.000 3.380 46 V HA 0.206 4.327 4.120 0.001 0.000 0.307 46 V C 1.677 177.748 176.094 -0.038 0.000 1.434 46 V CA -0.076 62.129 62.300 -0.158 0.000 1.075 46 V CB -0.775 31.021 31.823 -0.045 0.000 0.954 46 V HN -0.075 nan 8.190 nan 0.000 0.444 47 L N 2.851 124.033 121.223 -0.068 0.000 2.083 47 L HA 0.192 4.533 4.340 0.001 0.000 0.209 47 L C 2.267 179.171 176.870 0.057 0.000 1.083 47 L CA 2.649 57.520 54.840 0.051 0.000 0.752 47 L CB -1.086 40.972 42.059 -0.001 0.000 0.899 47 L HN 0.331 nan 8.230 nan 0.000 0.433 48 G N -0.579 108.212 108.800 -0.015 0.000 2.414 48 G HA2 -0.269 3.691 3.960 0.001 0.000 0.215 48 G HA3 -0.269 3.691 3.960 0.001 0.000 0.215 48 G C 1.570 176.474 174.900 0.005 0.000 1.188 48 G CA 0.843 45.933 45.100 -0.017 0.000 0.783 48 G HN 0.398 nan 8.290 nan 0.000 0.537 49 L N -0.337 120.895 121.223 0.015 0.000 2.131 49 L HA 0.150 4.491 4.340 0.001 0.000 0.210 49 L C 2.437 179.365 176.870 0.096 0.000 1.092 49 L CA 1.397 56.257 54.840 0.033 0.000 0.759 49 L CB -0.406 41.664 42.059 0.019 0.000 0.903 49 L HN 0.314 nan 8.230 nan 0.000 0.435 50 F N -0.357 119.572 119.950 -0.034 0.000 2.084 50 F HA -0.278 4.249 4.527 0.001 0.000 0.296 50 F C 2.495 178.294 175.800 -0.001 0.000 1.111 50 F CA 1.608 59.596 58.000 -0.020 0.000 1.224 50 F CB -0.091 38.897 39.000 -0.019 0.000 0.991 50 F HN 0.095 nan 8.300 nan 0.000 0.471 51 Q N 0.530 120.225 119.800 -0.174 0.000 2.096 51 Q HA -0.287 4.053 4.340 0.001 0.000 0.208 51 Q C 2.157 178.064 176.000 -0.154 0.000 0.993 51 Q CA 2.299 57.964 55.803 -0.230 0.000 0.862 51 Q CB -0.258 28.418 28.738 -0.103 0.000 0.915 51 Q HN 0.461 nan 8.270 nan 0.000 0.416 52 K N -0.118 120.236 120.400 -0.078 0.000 2.097 52 K HA -0.089 4.231 4.320 0.001 0.000 0.206 52 K C 2.330 178.900 176.600 -0.049 0.000 1.049 52 K CA 1.217 57.474 56.287 -0.050 0.000 0.933 52 K CB -0.093 32.392 32.500 -0.025 0.000 0.717 52 K HN 0.033 nan 8.250 nan 0.000 0.442 53 S N 1.491 117.164 115.700 -0.045 0.000 2.368 53 S HA -0.099 4.371 4.470 0.001 0.000 0.225 53 S C 1.961 176.534 174.600 -0.044 0.000 1.030 53 S CA 1.076 59.260 58.200 -0.026 0.000 0.999 53 S CB -0.167 63.047 63.200 0.024 0.000 0.844 53 S HN 0.162 nan 8.310 nan 0.000 0.459 54 L N 1.031 122.191 121.223 -0.105 0.000 1.988 54 L HA -0.136 4.205 4.340 0.001 0.000 0.207 54 L C 2.766 179.616 176.870 -0.034 0.000 1.071 54 L CA 1.371 56.177 54.840 -0.055 0.000 0.744 54 L CB -0.583 41.402 42.059 -0.124 0.000 0.893 54 L HN 0.228 nan 8.230 nan 0.000 0.433 55 Q N 0.283 120.047 119.800 -0.059 0.000 2.152 55 Q HA -0.210 4.130 4.340 0.001 0.000 0.206 55 Q C 2.288 178.274 176.000 -0.023 0.000 0.985 55 Q CA 2.391 58.172 55.803 -0.038 0.000 0.863 55 Q CB -0.421 28.290 28.738 -0.045 0.000 0.904 55 Q HN 0.604 nan 8.270 nan 0.000 0.422 56 S N -1.922 113.765 115.700 -0.022 0.000 2.348 56 S HA 0.017 4.487 4.470 0.001 0.000 0.221 56 S C 1.635 176.231 174.600 -0.007 0.000 1.033 56 S CA 1.374 59.566 58.200 -0.014 0.000 1.010 56 S CB -0.565 62.627 63.200 -0.013 0.000 0.891 56 S HN 0.844 nan 8.310 nan 0.000 0.442 57 G N 0.522 109.320 108.800 -0.003 0.000 2.205 57 G HA2 -0.161 3.799 3.960 0.001 0.000 0.180 57 G HA3 -0.161 3.799 3.960 0.001 0.000 0.180 57 G C 0.784 175.687 174.900 0.005 0.000 1.004 57 G CA 0.162 45.264 45.100 0.005 0.000 0.670 57 G HN 0.438 nan 8.290 nan 0.000 0.496 58 R N -0.296 120.203 120.500 -0.002 0.000 2.152 58 R HA 0.173 4.514 4.340 0.001 0.000 0.232 58 R C 2.067 178.358 176.300 -0.016 0.000 1.117 58 R CA 1.278 57.373 56.100 -0.008 0.000 0.981 58 R CB -0.179 30.115 30.300 -0.010 0.000 0.870 58 R HN 0.494 nan 8.270 nan 0.000 0.451 59 L N -0.069 121.150 121.223 -0.007 0.000 2.607 59 L HA 0.052 4.392 4.340 0.001 0.000 0.228 59 L C 0.747 177.656 176.870 0.066 0.000 1.123 59 L CA -0.070 54.760 54.840 -0.017 0.000 0.890 59 L CB 0.061 42.108 42.059 -0.021 0.000 1.103 59 L HN -0.003 nan 8.230 nan 0.000 0.468 60 D N 0.564 120.999 120.400 0.059 0.000 2.190 60 D HA -0.195 4.445 4.640 0.001 0.000 0.200 60 D C 2.041 178.381 176.300 0.068 0.000 0.992 60 D CA 0.969 55.009 54.000 0.067 0.000 0.854 60 D CB 0.148 40.969 40.800 0.035 0.000 0.936 60 D HN 0.179 nan 8.370 nan 0.000 0.462 61 E N 0.767 120.996 120.200 0.048 0.000 2.023 61 E HA -0.145 4.205 4.350 0.001 0.000 0.196 61 E C 1.588 178.243 176.600 0.090 0.000 1.003 61 E CA 0.994 57.423 56.400 0.048 0.000 0.809 61 E CB -0.370 29.344 29.700 0.024 0.000 0.755 61 E HN 0.334 nan 8.360 nan 0.000 0.449 62 D N 0.028 120.483 120.400 0.092 0.000 2.309 62 D HA -0.119 4.521 4.640 0.001 0.000 0.212 62 D C 1.719 178.308 176.300 0.481 0.000 0.968 62 D CA 0.633 54.752 54.000 0.198 0.000 0.882 62 D CB -0.168 40.571 40.800 -0.102 0.000 0.918 62 D HN 0.124 nan 8.370 nan 0.000 0.503 63 R N 0.105 120.824 120.500 0.366 0.000 2.297 63 R HA 0.093 4.434 4.340 0.001 0.000 0.197 63 R C 0.868 177.225 176.300 0.095 0.000 0.943 63 R CA -0.065 56.210 56.100 0.292 0.000 1.038 63 R CB 0.329 30.760 30.300 0.219 0.000 0.957 63 R HN -0.039 nan 8.270 nan 0.000 0.484 64 K N 1.810 122.261 120.400 0.084 0.000 2.349 64 K HA 0.138 4.459 4.320 0.001 0.000 0.288 64 K C -0.374 176.223 176.600 -0.004 0.000 1.058 64 K CA -0.099 56.202 56.287 0.023 0.000 0.953 64 K CB 0.475 32.989 32.500 0.023 0.000 0.997 64 K HN -0.040 nan 8.250 nan 0.000 0.477 65 L N 5.808 127.005 121.223 -0.043 0.000 2.469 65 L HA 0.270 4.610 4.340 0.001 0.000 0.253 65 L C -1.391 175.446 176.870 -0.056 0.000 1.143 65 L CA -2.079 52.718 54.840 -0.072 0.000 0.804 65 L CB 0.209 42.211 42.059 -0.094 0.000 1.214 65 L HN 0.573 nan 8.230 nan 0.000 0.476 66 P HA -0.185 nan 4.420 nan 0.000 0.215 66 P C 0.592 177.871 177.300 -0.035 0.000 1.157 66 P CA 1.220 64.291 63.100 -0.048 0.000 0.874 66 P CB -0.109 31.559 31.700 -0.053 0.000 0.790 67 D N -1.315 119.063 120.400 -0.037 0.000 2.379 67 D HA 0.005 4.646 4.640 0.001 0.000 0.243 67 D C 1.426 177.710 176.300 -0.026 0.000 1.088 67 D CA 0.878 54.860 54.000 -0.029 0.000 0.925 67 D CB -1.207 39.574 40.800 -0.030 0.000 0.888 67 D HN 0.308 nan 8.370 nan 0.000 0.529 68 G N -0.322 108.463 108.800 -0.026 0.000 2.267 68 G HA2 -0.352 3.609 3.960 0.001 0.000 0.257 68 G HA3 -0.352 3.609 3.960 0.001 0.000 0.257 68 G C 0.632 175.518 174.900 -0.024 0.000 0.998 68 G CA 0.851 45.938 45.100 -0.021 0.000 0.620 68 G HN 0.895 nan 8.290 nan 0.000 0.529 69 S N -0.441 115.239 115.700 -0.033 0.000 2.596 69 S HA 0.763 5.233 4.470 0.001 0.000 0.262 69 S C 0.105 174.676 174.600 -0.049 0.000 1.218 69 S CA -0.231 57.945 58.200 -0.041 0.000 0.998 69 S CB 1.216 64.388 63.200 -0.048 0.000 1.060 69 S HN 0.841 nan 8.310 nan 0.000 0.552 70 L N 0.850 122.033 121.223 -0.066 0.000 2.381 70 L HA 0.506 4.847 4.340 0.001 0.000 0.274 70 L C -0.454 176.326 176.870 -0.151 0.000 0.988 70 L CA -0.997 53.795 54.840 -0.080 0.000 0.824 70 L CB 1.740 43.766 42.059 -0.055 0.000 1.263 70 L HN 0.734 nan 8.230 nan 0.000 0.410 71 I N 2.807 123.249 120.570 -0.214 0.000 2.821 71 I HA -0.039 4.131 4.170 0.001 0.000 0.294 71 I C -0.045 175.756 176.117 -0.526 0.000 1.210 71 I CA 0.733 61.794 61.300 -0.398 0.000 1.430 71 I CB 0.153 37.833 38.000 -0.533 0.000 1.356 71 I HN 0.575 nan 8.210 nan 0.000 0.563 72 E N 6.723 126.628 120.200 -0.492 0.000 2.195 72 E HA 0.446 4.797 4.350 0.001 0.000 0.271 72 E C -1.222 175.041 176.600 -0.561 0.000 0.923 72 E CA -0.605 55.517 56.400 -0.463 0.000 0.790 72 E CB 1.320 30.899 29.700 -0.202 0.000 1.155 72 E HN 0.493 nan 8.360 nan 0.000 0.402 73 F N 0.608 120.535 119.950 -0.038 0.000 2.399 73 F HA 0.434 4.961 4.527 0.001 0.000 0.328 73 F C 0.737 176.531 175.800 -0.010 0.000 1.084 73 F CA -0.908 57.077 58.000 -0.026 0.000 1.053 73 F CB 1.189 40.178 39.000 -0.017 0.000 1.209 73 F HN 0.457 nan 8.300 nan 0.000 0.502 74 A N 2.640 125.589 122.820 0.215 0.000 3.215 74 A HA 0.600 4.920 4.320 0.001 0.000 0.269 74 A C 0.405 178.078 177.584 0.147 0.000 1.517 74 A CA 0.142 52.267 52.037 0.146 0.000 1.221 74 A CB -1.115 17.970 19.000 0.142 0.000 1.160 74 A HN 1.295 nan 8.150 nan 0.000 0.620 75 G N -0.886 107.957 108.800 0.070 0.000 2.911 75 G HA2 0.151 4.111 3.960 0.001 0.000 0.686 75 G HA3 0.151 4.111 3.960 0.001 0.000 0.686 75 G C -0.954 173.853 174.900 -0.155 0.000 1.136 75 G CA -0.439 44.581 45.100 -0.133 0.000 0.764 75 G HN 1.056 nan 8.290 nan 0.000 0.626 76 V N 3.304 123.059 119.914 -0.264 0.000 2.349 76 V HA 0.520 4.641 4.120 0.001 0.000 0.284 76 V C -0.450 175.563 176.094 -0.134 0.000 1.014 76 V CA -0.801 61.427 62.300 -0.120 0.000 0.826 76 V CB 1.128 32.922 31.823 -0.049 0.000 1.009 76 V HN 0.663 nan 8.190 nan 0.000 0.431 77 Y N 6.323 126.727 120.300 0.173 0.000 2.320 77 Y HA 0.467 5.017 4.550 0.000 0.000 0.334 77 Y C -1.970 174.068 175.900 0.231 0.000 1.055 77 Y CA -2.716 55.529 58.100 0.242 0.000 1.143 77 Y CB 1.621 40.317 38.460 0.395 0.000 1.193 77 Y HN 0.431 nan 8.280 nan 0.000 0.477 78 P HA 0.143 nan 4.420 nan 0.000 0.271 78 P C -0.893 176.656 177.300 0.414 0.000 1.220 78 P CA 0.089 63.372 63.100 0.306 0.000 0.768 78 P CB 1.085 32.943 31.700 0.263 0.000 0.848 79 L N 3.000 124.448 121.223 0.375 0.000 2.516 79 L HA 0.378 4.718 4.340 0.001 0.000 0.267 79 L C -1.106 176.023 176.870 0.433 0.000 0.957 79 L CA -0.485 54.613 54.840 0.430 0.000 0.860 79 L CB 2.316 44.627 42.059 0.421 0.000 1.265 79 L HN 0.248 nan 8.230 nan 0.000 0.403 80 D N 3.471 124.189 120.400 0.530 0.000 2.441 80 D HA 0.357 4.998 4.640 0.001 0.000 0.231 80 D C 0.526 177.031 176.300 0.341 0.000 1.073 80 D CA -0.160 54.149 54.000 0.514 0.000 0.850 80 D CB 2.278 43.516 40.800 0.729 0.000 1.062 80 D HN 0.649 nan 8.370 nan 0.000 0.524 81 A N 2.915 125.849 122.820 0.190 0.000 2.235 81 A HA 0.172 4.493 4.320 0.001 0.000 0.208 81 A C 1.692 179.296 177.584 0.034 0.000 1.172 81 A CA 0.909 53.024 52.037 0.130 0.000 0.786 81 A CB 0.014 19.089 19.000 0.126 0.000 0.804 81 A HN 0.531 nan 8.150 nan 0.000 0.479 82 A N -1.038 121.700 122.820 -0.135 0.000 2.169 82 A HA 0.463 4.784 4.320 0.001 0.000 0.212 82 A C 0.311 177.641 177.584 -0.422 0.000 1.153 82 A CA 0.199 52.013 52.037 -0.371 0.000 0.756 82 A CB -0.185 18.414 19.000 -0.669 0.000 0.813 82 A HN 0.407 nan 8.150 nan 0.000 0.471 83 F N -0.996 119.065 119.950 0.185 0.000 2.540 83 F HA 0.362 4.889 4.527 0.000 0.000 0.317 83 F C 0.318 176.183 175.800 0.108 0.000 1.104 83 F CA -1.119 56.972 58.000 0.151 0.000 0.913 83 F CB 1.925 41.038 39.000 0.187 0.000 1.170 83 F HN -0.005 nan 8.300 nan 0.000 0.450 84 D N 1.185 121.745 120.400 0.267 0.000 2.338 84 D HA 0.075 4.715 4.640 0.001 0.000 0.224 84 D C 0.051 176.424 176.300 0.123 0.000 0.967 84 D CA 0.932 54.997 54.000 0.108 0.000 0.896 84 D CB 0.474 41.348 40.800 0.124 0.000 1.028 84 D HN 0.458 nan 8.370 nan 0.000 0.493 85 K N 0.539 121.020 120.400 0.135 0.000 2.443 85 K HA 0.299 4.620 4.320 0.001 0.000 0.251 85 K C -2.227 174.372 176.600 -0.002 0.000 0.972 85 K CA -1.738 54.593 56.287 0.074 0.000 0.833 85 K CB 2.776 35.321 32.500 0.075 0.000 1.317 85 K HN -0.306 nan 8.250 nan 0.000 0.441 86 P HA -0.222 nan 4.420 nan 0.000 0.225 86 P C 0.522 177.746 177.300 -0.127 0.000 1.148 86 P CA 1.307 64.322 63.100 -0.141 0.000 0.779 86 P CB 0.271 31.895 31.700 -0.128 0.000 0.780 87 E N 0.118 120.275 120.200 -0.071 0.000 2.285 87 E HA -0.129 4.222 4.350 0.001 0.000 0.194 87 E C 0.827 177.389 176.600 -0.063 0.000 0.997 87 E CA 0.821 57.187 56.400 -0.058 0.000 0.845 87 E CB -0.936 28.750 29.700 -0.024 0.000 0.782 87 E HN 0.238 nan 8.360 nan 0.000 0.491 88 D N 1.364 121.734 120.400 -0.050 0.000 2.363 88 D HA 0.026 4.667 4.640 0.001 0.000 0.220 88 D C 0.278 176.455 176.300 -0.205 0.000 0.994 88 D CA 0.236 54.228 54.000 -0.013 0.000 0.890 88 D CB 0.388 41.279 40.800 0.152 0.000 0.906 88 D HN 0.009 nan 8.370 nan 0.000 0.530 89 V N 3.490 123.156 119.914 -0.414 0.000 2.461 89 V HA 0.212 4.332 4.120 0.001 0.000 0.275 89 V C -1.869 174.014 176.094 -0.351 0.000 1.047 89 V CA -1.312 60.549 62.300 -0.732 0.000 0.955 89 V CB 1.308 32.719 31.823 -0.687 0.000 0.988 89 V HN -0.023 nan 8.190 nan 0.000 0.471 90 P HA 0.291 nan 4.420 nan 0.000 0.280 90 P C 0.255 177.490 177.300 -0.108 0.000 1.272 90 P CA -0.564 62.467 63.100 -0.114 0.000 0.819 90 P CB 1.117 32.799 31.700 -0.030 0.000 1.122 91 Q N 0.858 120.619 119.800 -0.065 0.000 2.084 91 Q HA -0.191 4.149 4.340 0.001 0.000 0.202 91 Q C 1.462 177.431 176.000 -0.051 0.000 0.978 91 Q CA 2.244 58.015 55.803 -0.053 0.000 0.844 91 Q CB -0.983 27.736 28.738 -0.031 0.000 0.898 91 Q HN 0.503 nan 8.270 nan 0.000 0.426 92 D N -0.630 119.748 120.400 -0.037 0.000 2.158 92 D HA -0.214 4.427 4.640 0.001 0.000 0.197 92 D C 1.681 177.941 176.300 -0.067 0.000 0.995 92 D CA 1.347 55.330 54.000 -0.029 0.000 0.846 92 D CB -0.316 40.483 40.800 -0.002 0.000 0.941 92 D HN 0.360 nan 8.370 nan 0.000 0.456 93 I N 0.998 121.490 120.570 -0.129 0.000 2.333 93 I HA -0.140 4.031 4.170 0.001 0.000 0.246 93 I C 2.558 178.519 176.117 -0.260 0.000 1.106 93 I CA 0.795 61.911 61.300 -0.306 0.000 1.411 93 I CB -0.160 37.596 38.000 -0.406 0.000 1.082 93 I HN -0.164 nan 8.210 nan 0.000 0.420 94 K N 0.521 120.833 120.400 -0.146 0.000 2.034 94 K HA -0.205 4.116 4.320 0.001 0.000 0.214 94 K C 0.426 177.019 176.600 -0.013 0.000 1.051 94 K CA 1.708 57.962 56.287 -0.055 0.000 0.931 94 K CB -0.260 32.207 32.500 -0.055 0.000 0.715 94 K HN 0.274 nan 8.250 nan 0.000 0.446 95 D N 0.633 121.019 120.400 -0.023 0.000 2.561 95 D HA 0.014 4.655 4.640 0.001 0.000 0.232 95 D C -0.380 175.927 176.300 0.012 0.000 1.198 95 D CA 0.076 54.078 54.000 0.003 0.000 0.826 95 D CB -0.337 40.463 40.800 -0.001 0.000 0.992 95 D HN 0.110 nan 8.370 nan 0.000 0.490 96 N N 1.156 119.866 118.700 0.016 0.000 2.456 96 N HA 0.067 4.807 4.740 0.001 0.000 0.288 96 N C 0.915 176.494 175.510 0.115 0.000 1.059 96 N CA -0.249 52.838 53.050 0.062 0.000 0.946 96 N CB 1.359 39.883 38.487 0.061 0.000 1.150 96 N HN -0.132 nan 8.380 nan 0.000 0.479 97 K N 2.446 122.893 120.400 0.079 0.000 2.211 97 K HA -0.022 4.299 4.320 0.001 0.000 0.203 97 K C 1.478 178.098 176.600 0.034 0.000 1.050 97 K CA 0.944 57.260 56.287 0.049 0.000 0.945 97 K CB 0.261 32.776 32.500 0.025 0.000 0.732 97 K HN 0.482 nan 8.250 nan 0.000 0.451 98 R N -0.132 120.392 120.500 0.040 0.000 2.189 98 R HA -0.099 4.241 4.340 0.001 0.000 0.223 98 R C 0.905 177.085 176.300 -0.199 0.000 1.092 98 R CA 1.073 57.112 56.100 -0.101 0.000 0.989 98 R CB -0.072 30.120 30.300 -0.180 0.000 0.876 98 R HN 0.271 nan 8.270 nan 0.000 0.457 99 Y N 0.101 120.323 120.300 -0.129 0.000 2.571 99 Y HA 0.338 4.888 4.550 0.001 0.000 0.275 99 Y C 0.610 176.487 175.900 -0.038 0.000 1.179 99 Y CA -0.672 57.350 58.100 -0.129 0.000 1.242 99 Y CB 0.383 38.776 38.460 -0.110 0.000 1.126 99 Y HN -0.039 nan 8.280 nan 0.000 0.524 100 A N -0.064 122.806 122.820 0.084 0.000 2.409 100 A HA 0.539 4.859 4.320 0.001 0.000 0.267 100 A C 1.459 179.070 177.584 0.046 0.000 1.127 100 A CA 0.708 52.786 52.037 0.068 0.000 0.795 100 A CB -0.350 18.675 19.000 0.041 0.000 1.061 100 A HN 0.776 nan 8.150 nan 0.000 0.502 101 G N 0.938 109.777 108.800 0.064 0.000 2.345 101 G HA2 -0.140 3.821 3.960 0.001 0.000 0.218 101 G HA3 -0.140 3.821 3.960 0.001 0.000 0.218 101 G C 0.609 175.559 174.900 0.083 0.000 1.058 101 G CA 0.453 45.586 45.100 0.055 0.000 0.632 101 G HN 2.265 nan 8.290 nan 0.000 0.508 102 V N 0.046 120.023 119.914 0.106 0.000 2.583 102 V HA 0.727 4.847 4.120 0.001 0.000 0.287 102 V C -0.215 176.059 176.094 0.301 0.000 1.051 102 V CA 0.067 62.468 62.300 0.169 0.000 1.010 102 V CB 1.721 33.607 31.823 0.105 0.000 0.988 102 V HN 0.501 nan 8.190 nan 0.000 0.478 103 D N 2.672 123.243 120.400 0.285 0.000 2.581 103 D HA 0.620 5.260 4.640 0.001 0.000 0.232 103 D C 0.457 176.874 176.300 0.196 0.000 1.143 103 D CA 0.412 54.545 54.000 0.220 0.000 0.881 103 D CB 1.878 42.748 40.800 0.117 0.000 1.500 103 D HN 1.527 nan 8.370 nan 0.000 0.458 104 G N 1.802 110.602 108.800 0.001 0.000 2.367 104 G HA2 -0.256 3.705 3.960 0.001 0.000 0.295 104 G HA3 -0.256 3.705 3.960 0.001 0.000 0.295 104 G C 0.225 175.191 174.900 0.109 0.000 1.019 104 G CA 1.077 46.171 45.100 -0.010 0.000 1.224 104 G HN 0.596 nan 8.290 nan 0.000 0.510 105 Y N -1.205 119.201 120.300 0.177 0.000 2.557 105 Y HA 0.492 5.042 4.550 0.000 0.000 0.247 105 Y C 1.331 177.382 175.900 0.252 0.000 1.164 105 Y CA -0.199 58.041 58.100 0.234 0.000 1.218 105 Y CB -0.516 38.106 38.460 0.271 0.000 1.210 105 Y HN 0.438 nan 8.280 nan 0.000 0.529 106 T N -1.957 112.672 114.554 0.125 0.000 2.849 106 T HA 0.280 4.630 4.350 0.001 0.000 0.284 106 T C 1.218 176.014 174.700 0.161 0.000 1.004 106 T CA -0.480 61.740 62.100 0.201 0.000 1.021 106 T CB 1.405 70.325 68.868 0.087 0.000 1.013 106 T HN 0.306 nan 8.240 nan 0.000 0.527 107 I N 0.704 121.348 120.570 0.122 0.000 2.179 107 I HA -0.126 4.044 4.170 0.001 0.000 0.242 107 I C 2.850 178.977 176.117 0.017 0.000 1.088 107 I CA 1.611 62.933 61.300 0.037 0.000 1.357 107 I CB -0.402 37.530 38.000 -0.113 0.000 1.051 107 I HN 0.837 nan 8.210 nan 0.000 0.409 108 K N 1.345 121.815 120.400 0.116 0.000 2.044 108 K HA -0.260 4.060 4.320 0.001 0.000 0.210 108 K C 1.895 178.506 176.600 0.019 0.000 1.049 108 K CA 2.017 58.473 56.287 0.282 0.000 0.927 108 K CB -0.104 32.548 32.500 0.252 0.000 0.713 108 K HN 0.386 nan 8.250 nan 0.000 0.443 109 E N 0.049 120.252 120.200 0.006 0.000 2.106 109 E HA -0.129 4.221 4.350 0.001 0.000 0.192 109 E C 2.063 178.626 176.600 -0.061 0.000 0.984 109 E CA 1.199 57.583 56.400 -0.027 0.000 0.806 109 E CB 0.095 29.791 29.700 -0.008 0.000 0.750 109 E HN 0.123 nan 8.360 nan 0.000 0.458 110 V N 1.477 121.362 119.914 -0.049 0.000 2.358 110 V HA -0.242 3.878 4.120 0.001 0.000 0.246 110 V C 2.347 178.214 176.094 -0.378 0.000 1.047 110 V CA 1.788 64.016 62.300 -0.119 0.000 1.035 110 V CB -0.655 31.190 31.823 0.036 0.000 0.658 110 V HN 0.303 nan 8.190 nan 0.000 0.452 111 A N -0.216 122.292 122.820 -0.519 0.000 1.933 111 A HA -0.151 4.170 4.320 0.001 0.000 0.218 111 A C 2.384 179.636 177.584 -0.552 0.000 1.175 111 A CA 2.066 53.517 52.037 -0.976 0.000 0.628 111 A CB -0.600 17.735 19.000 -1.109 0.000 0.814 111 A HN 0.343 nan 8.150 nan 0.000 0.444 112 V N 0.050 119.770 119.914 -0.324 0.000 2.270 112 V HA -0.270 3.851 4.120 0.001 0.000 0.245 112 V C 2.417 178.415 176.094 -0.160 0.000 1.043 112 V CA 2.374 64.550 62.300 -0.205 0.000 1.014 112 V CB -0.718 31.030 31.823 -0.126 0.000 0.645 112 V HN 0.548 nan 8.190 nan 0.000 0.447 113 K N -0.250 120.069 120.400 -0.134 0.000 2.152 113 K HA -0.140 4.180 4.320 0.001 0.000 0.206 113 K C 2.021 178.571 176.600 -0.082 0.000 1.048 113 K CA 1.287 57.547 56.287 -0.045 0.000 0.933 113 K CB -0.402 32.139 32.500 0.068 0.000 0.721 113 K HN 0.311 nan 8.250 nan 0.000 0.447 114 V N 1.527 121.264 119.914 -0.295 0.000 2.358 114 V HA -0.261 3.859 4.120 0.001 0.000 0.246 114 V C 2.291 178.341 176.094 -0.072 0.000 1.047 114 V CA 1.758 63.928 62.300 -0.216 0.000 1.035 114 V CB -0.333 31.309 31.823 -0.301 0.000 0.658 114 V HN 0.271 nan 8.190 nan 0.000 0.452 115 K N 0.293 120.609 120.400 -0.139 0.000 1.985 115 K HA -0.211 4.109 4.320 0.001 0.000 0.210 115 K C 2.187 178.768 176.600 -0.031 0.000 1.047 115 K CA 1.816 58.050 56.287 -0.089 0.000 0.932 115 K CB -0.472 31.949 32.500 -0.132 0.000 0.716 115 K HN 0.483 nan 8.250 nan 0.000 0.439 116 Q N 0.031 119.814 119.800 -0.028 0.000 1.998 116 Q HA -0.213 4.127 4.340 0.001 0.000 0.209 116 Q C 1.682 177.710 176.000 0.047 0.000 1.002 116 Q CA 2.185 57.994 55.803 0.010 0.000 0.858 116 Q CB -0.290 28.461 28.738 0.021 0.000 0.932 116 Q HN 0.458 nan 8.270 nan 0.000 0.416 117 D N -0.684 119.771 120.400 0.091 0.000 2.234 117 D HA -0.018 4.622 4.640 0.001 0.000 0.205 117 D C 1.565 177.940 176.300 0.125 0.000 0.962 117 D CA 0.971 55.052 54.000 0.135 0.000 0.855 117 D CB 0.255 41.203 40.800 0.246 0.000 0.951 117 D HN 0.236 nan 8.370 nan 0.000 0.500 118 L N -1.633 119.659 121.223 0.115 0.000 2.854 118 L HA 0.357 4.697 4.340 0.001 0.000 0.249 118 L C 1.089 178.001 176.870 0.070 0.000 1.091 118 L CA 0.152 55.057 54.840 0.110 0.000 0.935 118 L CB 0.648 42.804 42.059 0.161 0.000 1.367 118 L HN 0.089 nan 8.230 nan 0.000 0.524 119 G N 0.962 109.788 108.800 0.043 0.000 2.660 119 G HA2 -0.230 3.730 3.960 0.001 0.000 0.247 119 G HA3 -0.230 3.730 3.960 0.001 0.000 0.247 119 G C -0.693 174.216 174.900 0.016 0.000 1.328 119 G CA -0.750 44.362 45.100 0.020 0.000 0.884 119 G HN 0.179 nan 8.290 nan 0.000 0.531 120 N N 0.408 119.110 118.700 0.003 0.000 2.357 120 N HA 0.346 5.086 4.740 0.001 0.000 0.257 120 N C 0.990 176.519 175.510 0.031 0.000 1.250 120 N CA 0.906 53.956 53.050 -0.000 0.000 0.862 120 N CB 0.140 38.620 38.487 -0.012 0.000 1.066 120 N HN 0.843 nan 8.380 nan 0.000 0.468 121 I N -1.634 118.967 120.570 0.051 0.000 2.797 121 I HA 0.406 4.577 4.170 0.001 0.000 0.310 121 I C 0.112 176.256 176.117 0.045 0.000 0.990 121 I CA -0.518 60.828 61.300 0.076 0.000 1.228 121 I CB 1.321 39.400 38.000 0.131 0.000 1.406 121 I HN 0.288 nan 8.210 nan 0.000 0.534 122 D N 2.592 123.019 120.400 0.046 0.000 2.422 122 D HA 0.342 4.983 4.640 0.001 0.000 0.218 122 D C 0.258 176.571 176.300 0.022 0.000 1.047 122 D CA 0.957 54.972 54.000 0.026 0.000 0.885 122 D CB 1.209 42.024 40.800 0.025 0.000 1.035 122 D HN 0.416 nan 8.370 nan 0.000 0.502 123 I N 1.156 121.748 120.570 0.038 0.000 2.582 123 I HA 0.283 4.454 4.170 0.001 0.000 0.292 123 I C -1.415 174.724 176.117 0.036 0.000 1.066 123 I CA -0.900 60.418 61.300 0.030 0.000 1.053 123 I CB 3.068 41.086 38.000 0.031 0.000 1.241 123 I HN -0.238 nan 8.210 nan 0.000 0.421 124 L N 7.558 128.793 121.223 0.020 0.000 2.406 124 L HA 0.667 5.007 4.340 0.001 0.000 0.272 124 L C -1.348 175.556 176.870 0.057 0.000 0.980 124 L CA -0.420 54.424 54.840 0.008 0.000 0.831 124 L CB 1.895 43.919 42.059 -0.059 0.000 1.253 124 L HN 0.297 nan 8.230 nan 0.000 0.406 125 V N 4.347 124.295 119.914 0.057 0.000 2.495 125 V HA 0.405 4.525 4.120 0.001 0.000 0.298 125 V C -0.566 175.588 176.094 0.100 0.000 1.031 125 V CA -0.602 61.731 62.300 0.055 0.000 0.871 125 V CB 1.518 33.340 31.823 -0.003 0.000 0.988 125 V HN 0.767 nan 8.190 nan 0.000 0.432 126 H N 3.645 122.698 119.070 -0.028 0.000 2.673 126 H HA 0.398 4.954 4.556 0.000 0.000 0.293 126 H C -0.500 174.741 175.328 -0.144 0.000 1.065 126 H CA -0.057 55.946 56.048 -0.075 0.000 1.236 126 H CB 1.450 31.121 29.762 -0.153 0.000 1.389 126 H HN 0.619 nan 8.280 nan 0.000 0.481 127 S N 6.938 122.432 115.700 -0.343 0.000 2.272 127 S HA 0.310 4.781 4.470 0.001 0.000 0.207 127 S C -1.083 173.335 174.600 -0.304 0.000 1.336 127 S CA -0.696 57.348 58.200 -0.260 0.000 1.259 127 S CB -0.981 62.152 63.200 -0.110 0.000 1.130 127 S HN 0.618 nan 8.310 nan 0.000 0.444 128 L N -0.350 120.568 121.223 -0.508 0.000 2.465 128 L HA 1.109 5.449 4.340 0.001 0.000 0.257 128 L C -0.896 175.785 176.870 -0.315 0.000 0.988 128 L CA -0.910 53.712 54.840 -0.363 0.000 0.827 128 L CB 1.434 43.302 42.059 -0.319 0.000 1.397 128 L HN 0.138 nan 8.230 nan 0.000 0.410 129 A N 1.608 124.297 122.820 -0.220 0.000 2.604 129 A HA 0.829 5.149 4.320 0.001 0.000 0.295 129 A C -1.722 175.740 177.584 -0.203 0.000 1.067 129 A CA -0.396 51.549 52.037 -0.153 0.000 0.683 129 A CB 1.694 20.645 19.000 -0.081 0.000 1.281 129 A HN 1.044 nan 8.150 nan 0.000 0.407 130 N N 0.275 118.862 118.700 -0.188 0.000 2.666 130 N HA 0.502 5.242 4.740 0.001 0.000 0.260 130 N C -0.911 174.495 175.510 -0.174 0.000 1.077 130 N CA -0.007 52.912 53.050 -0.218 0.000 1.026 130 N CB 1.780 40.073 38.487 -0.323 0.000 1.653 130 N HN 1.225 nan 8.380 nan 0.000 0.533 131 G N 3.285 111.984 108.800 -0.168 0.000 2.845 131 G HA2 0.378 4.338 3.960 0.001 0.000 0.282 131 G HA3 0.378 4.338 3.960 0.001 0.000 0.282 131 G C -2.234 172.588 174.900 -0.129 0.000 1.546 131 G CA -1.063 43.944 45.100 -0.155 0.000 1.089 131 G HN 0.397 nan 8.290 nan 0.000 0.558 132 P HA -0.117 nan 4.420 nan 0.000 0.218 132 P C 0.926 178.189 177.300 -0.061 0.000 1.146 132 P CA 1.214 64.279 63.100 -0.060 0.000 0.820 132 P CB 0.469 32.152 31.700 -0.028 0.000 0.778 133 E N -1.405 118.752 120.200 -0.071 0.000 2.585 133 E HA 0.077 4.428 4.350 0.001 0.000 0.206 133 E C 1.249 177.785 176.600 -0.107 0.000 1.007 133 E CA -0.241 56.120 56.400 -0.065 0.000 1.028 133 E CB -0.128 29.552 29.700 -0.033 0.000 1.087 133 E HN -0.059 nan 8.360 nan 0.000 0.455 134 V N 1.498 121.320 119.914 -0.153 0.000 2.453 134 V HA -0.290 3.830 4.120 0.001 0.000 0.252 134 V C 2.355 178.322 176.094 -0.212 0.000 1.068 134 V CA 2.774 64.933 62.300 -0.235 0.000 1.070 134 V CB -0.413 31.245 31.823 -0.275 0.000 0.664 134 V HN 0.551 nan 8.190 nan 0.000 0.461 135 T N -2.458 112.011 114.554 -0.142 0.000 2.995 135 T HA -0.030 4.320 4.350 0.001 0.000 0.269 135 T C 0.915 175.566 174.700 -0.082 0.000 1.091 135 T CA 0.352 62.387 62.100 -0.109 0.000 1.128 135 T CB -0.222 68.609 68.868 -0.062 0.000 0.891 135 T HN 0.335 nan 8.240 nan 0.000 0.492 136 K N 2.958 123.314 120.400 -0.074 0.000 2.297 136 K HA 0.366 4.687 4.320 0.001 0.000 0.286 136 K C -2.664 173.910 176.600 -0.044 0.000 1.053 136 K CA -2.582 53.678 56.287 -0.045 0.000 0.940 136 K CB 0.884 33.366 32.500 -0.031 0.000 1.019 136 K HN 0.176 nan 8.250 nan 0.000 0.475 137 P HA -0.040 nan 4.420 nan 0.000 0.270 137 P C 1.034 178.336 177.300 0.004 0.000 1.227 137 P CA -0.317 62.778 63.100 -0.009 0.000 0.788 137 P CB 0.509 32.209 31.700 0.001 0.000 0.926 138 L N 1.401 122.637 121.223 0.021 0.000 2.083 138 L HA -0.124 4.217 4.340 0.001 0.000 0.209 138 L C 2.018 178.904 176.870 0.026 0.000 1.083 138 L CA 1.654 56.521 54.840 0.046 0.000 0.752 138 L CB -0.882 41.217 42.059 0.067 0.000 0.899 138 L HN 0.330 nan 8.230 nan 0.000 0.433 139 L N -1.030 120.201 121.223 0.015 0.000 2.549 139 L HA -0.142 4.198 4.340 0.001 0.000 0.229 139 L C 1.043 177.913 176.870 -0.000 0.000 1.158 139 L CA 0.820 55.662 54.840 0.004 0.000 0.842 139 L CB -0.272 41.789 42.059 0.004 0.000 0.952 139 L HN 0.352 nan 8.230 nan 0.000 0.452 140 E N -1.402 118.799 120.200 0.002 0.000 2.812 140 E HA 0.140 4.490 4.350 0.001 0.000 0.211 140 E C -0.294 176.307 176.600 0.002 0.000 0.986 140 E CA -0.141 56.259 56.400 -0.001 0.000 1.119 140 E CB 0.910 30.608 29.700 -0.003 0.000 1.046 140 E HN 0.114 nan 8.360 nan 0.000 0.474 141 T N 0.776 115.336 114.554 0.011 0.000 2.895 141 T HA 0.343 4.693 4.350 0.001 0.000 0.283 141 T C 0.071 174.782 174.700 0.019 0.000 1.014 141 T CA -0.723 61.393 62.100 0.027 0.000 1.037 141 T CB 1.616 70.524 68.868 0.067 0.000 1.006 141 T HN 0.096 nan 8.240 nan 0.000 0.468 142 S N 1.806 117.522 115.700 0.027 0.000 2.654 142 S HA 0.417 4.887 4.470 0.001 0.000 0.283 142 S C 1.221 175.836 174.600 0.025 0.000 1.180 142 S CA -0.972 57.236 58.200 0.012 0.000 1.021 142 S CB 1.536 64.744 63.200 0.013 0.000 1.018 142 S HN 0.754 nan 8.310 nan 0.000 0.532 143 R N 1.028 121.521 120.500 -0.011 0.000 2.091 143 R HA -0.122 4.218 4.340 0.001 0.000 0.238 143 R C 2.234 178.563 176.300 0.049 0.000 1.136 143 R CA 1.830 57.922 56.100 -0.013 0.000 0.959 143 R CB -0.366 29.912 30.300 -0.037 0.000 0.856 143 R HN 0.852 nan 8.270 nan 0.000 0.437 144 K N -0.864 119.558 120.400 0.037 0.000 2.097 144 K HA -0.082 4.239 4.320 0.001 0.000 0.205 144 K C 1.809 178.440 176.600 0.051 0.000 1.050 144 K CA 1.676 57.987 56.287 0.040 0.000 0.938 144 K CB -0.208 32.308 32.500 0.027 0.000 0.718 144 K HN 0.316 nan 8.250 nan 0.000 0.442 145 G N -0.503 108.331 108.800 0.057 0.000 2.453 145 G HA2 -0.220 3.740 3.960 0.001 0.000 0.215 145 G HA3 -0.220 3.740 3.960 0.001 0.000 0.215 145 G C 1.338 176.278 174.900 0.067 0.000 1.147 145 G CA 0.353 45.479 45.100 0.043 0.000 0.802 145 G HN 0.449 nan 8.290 nan 0.000 0.535 146 Y N 0.971 121.250 120.300 -0.034 0.000 2.200 146 Y HA 0.053 4.604 4.550 0.001 0.000 0.290 146 Y C 2.471 178.357 175.900 -0.023 0.000 1.137 146 Y CA 1.074 59.154 58.100 -0.033 0.000 1.163 146 Y CB -0.046 38.399 38.460 -0.025 0.000 0.988 146 Y HN 0.066 nan 8.280 nan 0.000 0.518 147 L N -0.123 121.257 121.223 0.262 0.000 2.056 147 L HA -0.201 4.140 4.340 0.001 0.000 0.207 147 L C 2.842 179.740 176.870 0.046 0.000 1.078 147 L CA 1.015 55.951 54.840 0.159 0.000 0.749 147 L CB -0.928 41.203 42.059 0.120 0.000 0.901 147 L HN 0.370 nan 8.230 nan 0.000 0.433 148 A N 0.214 123.049 122.820 0.024 0.000 1.908 148 A HA -0.238 4.082 4.320 0.001 0.000 0.218 148 A C 2.544 180.095 177.584 -0.055 0.000 1.181 148 A CA 1.924 53.950 52.037 -0.018 0.000 0.627 148 A CB -0.746 18.243 19.000 -0.018 0.000 0.818 148 A HN 0.417 nan 8.150 nan 0.000 0.445 149 A N -0.977 121.791 122.820 -0.087 0.000 1.883 149 A HA -0.136 4.184 4.320 0.001 0.000 0.217 149 A C 2.505 180.020 177.584 -0.116 0.000 1.186 149 A CA 2.294 54.248 52.037 -0.139 0.000 0.624 149 A CB -1.020 17.849 19.000 -0.218 0.000 0.822 149 A HN 0.561 nan 8.150 nan 0.000 0.444 150 S N -0.981 114.649 115.700 -0.117 0.000 2.368 150 S HA -0.136 4.335 4.470 0.001 0.000 0.224 150 S C 2.346 176.969 174.600 0.040 0.000 1.029 150 S CA 1.760 59.933 58.200 -0.046 0.000 0.988 150 S CB -0.437 62.746 63.200 -0.028 0.000 0.838 150 S HN 0.620 nan 8.310 nan 0.000 0.462 151 S N 1.496 117.213 115.700 0.028 0.000 2.353 151 S HA -0.110 4.360 4.470 0.001 0.000 0.222 151 S C 1.826 176.461 174.600 0.059 0.000 1.035 151 S CA 1.642 59.874 58.200 0.053 0.000 1.025 151 S CB -0.594 62.605 63.200 -0.003 0.000 0.902 151 S HN 0.662 nan 8.310 nan 0.000 0.440 152 N N 0.615 119.309 118.700 -0.010 0.000 2.207 152 N HA 0.075 4.815 4.740 0.001 0.000 0.182 152 N C 1.745 177.265 175.510 0.016 0.000 1.020 152 N CA 1.355 54.379 53.050 -0.042 0.000 0.858 152 N CB -0.462 37.947 38.487 -0.130 0.000 0.991 152 N HN 0.379 nan 8.380 nan 0.000 0.427 153 S N -0.083 115.631 115.700 0.022 0.000 2.492 153 S HA 0.314 4.784 4.470 0.001 0.000 0.218 153 S C 1.739 176.424 174.600 0.142 0.000 1.016 153 S CA 0.328 58.570 58.200 0.070 0.000 0.916 153 S CB 0.604 63.808 63.200 0.006 0.000 0.791 153 S HN 0.423 nan 8.310 nan 0.000 0.513 154 A N 0.258 123.141 122.820 0.105 0.000 2.011 154 A HA 0.337 4.657 4.320 0.001 0.000 0.204 154 A C 1.714 179.360 177.584 0.102 0.000 1.520 154 A CA 0.092 52.189 52.037 0.100 0.000 0.819 154 A CB -1.038 18.014 19.000 0.087 0.000 1.087 154 A HN 0.342 nan 8.150 nan 0.000 0.526 155 Y N 2.598 122.924 120.300 0.043 0.000 2.207 155 Y HA -0.255 4.296 4.550 0.001 0.000 0.287 155 Y C 2.866 178.791 175.900 0.042 0.000 1.156 155 Y CA 2.041 60.163 58.100 0.036 0.000 1.182 155 Y CB -0.276 38.201 38.460 0.027 0.000 0.979 155 Y HN 0.434 nan 8.280 nan 0.000 0.521 156 S N -0.355 115.395 115.700 0.083 0.000 2.392 156 S HA -0.315 4.156 4.470 0.001 0.000 0.232 156 S C 1.964 176.540 174.600 -0.040 0.000 1.041 156 S CA 1.538 59.783 58.200 0.075 0.000 1.026 156 S CB -1.465 61.876 63.200 0.235 0.000 0.845 156 S HN 0.486 nan 8.310 nan 0.000 0.465 157 F N 2.467 122.154 119.950 -0.439 0.000 2.259 157 F HA 0.096 4.624 4.527 0.000 0.000 0.298 157 F C 2.228 177.798 175.800 -0.383 0.000 1.088 157 F CA 0.271 57.879 58.000 -0.653 0.000 1.358 157 F CB -0.654 37.837 39.000 -0.849 0.000 1.040 157 F HN 0.078 nan 8.300 nan 0.000 0.505 158 V N -0.759 118.895 119.914 -0.434 0.000 2.244 158 V HA -0.269 3.852 4.120 0.001 0.000 0.244 158 V C 2.668 178.470 176.094 -0.487 0.000 1.042 158 V CA 1.989 63.972 62.300 -0.528 0.000 1.006 158 V CB -1.221 30.256 31.823 -0.578 0.000 0.641 158 V HN 0.463 nan 8.190 nan 0.000 0.446 159 S N -0.253 115.049 115.700 -0.665 0.000 2.387 159 S HA -0.229 4.242 4.470 0.001 0.000 0.230 159 S C 1.961 176.482 174.600 -0.132 0.000 1.035 159 S CA 2.059 60.060 58.200 -0.333 0.000 1.014 159 S CB -0.388 62.650 63.200 -0.272 0.000 0.836 159 S HN 0.383 nan 8.310 nan 0.000 0.466 160 L N 0.613 121.769 121.223 -0.111 0.000 2.093 160 L HA 0.161 4.501 4.340 0.001 0.000 0.208 160 L C 2.185 179.110 176.870 0.093 0.000 1.085 160 L CA 1.381 56.263 54.840 0.070 0.000 0.755 160 L CB -0.638 41.474 42.059 0.088 0.000 0.904 160 L HN 0.378 nan 8.230 nan 0.000 0.435 161 L N -0.951 120.195 121.223 -0.129 0.000 2.056 161 L HA -0.192 4.148 4.340 0.001 0.000 0.207 161 L C 2.539 179.407 176.870 -0.003 0.000 1.078 161 L CA 1.612 56.374 54.840 -0.131 0.000 0.749 161 L CB -0.523 41.333 42.059 -0.339 0.000 0.901 161 L HN 0.348 nan 8.230 nan 0.000 0.433 162 Q N -1.197 118.616 119.800 0.022 0.000 2.112 162 Q HA -0.248 4.092 4.340 0.001 0.000 0.206 162 Q C 1.870 177.932 176.000 0.102 0.000 0.987 162 Q CA 1.997 57.861 55.803 0.102 0.000 0.858 162 Q CB -0.250 28.597 28.738 0.182 0.000 0.905 162 Q HN 0.678 nan 8.270 nan 0.000 0.420 163 H N -2.301 116.748 119.070 -0.034 0.000 2.551 163 H HA 0.040 4.596 4.556 0.000 0.000 0.266 163 H C 0.827 175.987 175.328 -0.280 0.000 0.964 163 H CA 0.278 56.249 56.048 -0.129 0.000 1.180 163 H CB 0.493 30.181 29.762 -0.123 0.000 1.408 163 H HN 0.207 nan 8.280 nan 0.000 0.563 164 F N -0.487 119.413 119.950 -0.082 0.000 2.712 164 F HA 0.183 4.710 4.527 0.000 0.000 0.297 164 F C 2.466 178.105 175.800 -0.267 0.000 1.114 164 F CA 0.197 58.093 58.000 -0.173 0.000 1.305 164 F CB 0.180 39.081 39.000 -0.164 0.000 1.086 164 F HN 0.058 nan 8.300 nan 0.000 0.599 165 G N 1.847 110.541 108.800 -0.177 0.000 2.553 165 G HA2 -0.251 3.709 3.960 0.001 0.000 0.218 165 G HA3 -0.251 3.709 3.960 0.001 0.000 0.218 165 G C -0.646 173.634 174.900 -1.034 0.000 1.195 165 G CA 1.048 45.762 45.100 -0.643 0.000 0.779 165 G HN 0.186 nan 8.290 nan 0.000 0.577 166 P HA -0.087 nan 4.420 nan 0.000 0.216 166 P C 1.683 178.819 177.300 -0.273 0.000 1.150 166 P CA 1.148 64.018 63.100 -0.383 0.000 0.843 166 P CB -0.184 31.415 31.700 -0.168 0.000 0.787 167 I N -6.278 114.148 120.570 -0.240 0.000 3.826 167 I HA 0.274 4.445 4.170 0.001 0.000 0.319 167 I C 0.348 176.405 176.117 -0.099 0.000 1.394 167 I CA 0.111 61.320 61.300 -0.151 0.000 1.197 167 I CB -0.639 37.267 38.000 -0.157 0.000 1.096 167 I HN -0.192 nan 8.210 nan 0.000 0.409 168 M N 1.792 121.295 119.600 -0.161 0.000 2.294 168 M HA 0.402 4.882 4.480 0.001 0.000 0.335 168 M C -0.625 175.624 176.300 -0.084 0.000 1.079 168 M CA -0.560 54.676 55.300 -0.108 0.000 0.982 168 M CB 1.491 34.001 32.600 -0.150 0.000 1.651 168 M HN 0.142 nan 8.290 nan 0.000 0.437 169 N N 2.368 121.049 118.700 -0.033 0.000 2.492 169 N HA 0.030 4.770 4.740 0.001 0.000 0.262 169 N C -0.426 175.083 175.510 -0.000 0.000 1.202 169 N CA -0.015 53.027 53.050 -0.012 0.000 0.926 169 N CB 0.526 39.012 38.487 -0.000 0.000 1.078 169 N HN 0.552 nan 8.380 nan 0.000 0.454 170 E N 0.787 120.996 120.200 0.015 0.000 2.829 170 E HA 0.027 4.377 4.350 0.001 0.000 0.264 170 E C 0.845 177.453 176.600 0.013 0.000 0.922 170 E CA 1.231 57.646 56.400 0.025 0.000 0.960 170 E CB -0.266 29.446 29.700 0.020 0.000 0.918 170 E HN 0.753 nan 8.360 nan 0.000 0.497 171 G N 2.677 111.485 108.800 0.012 0.000 2.160 171 G HA2 -0.194 3.766 3.960 0.001 0.000 0.244 171 G HA3 -0.194 3.766 3.960 0.001 0.000 0.244 171 G C 0.405 175.303 174.900 -0.004 0.000 1.022 171 G CA 0.059 45.160 45.100 0.002 0.000 0.741 171 G HN 0.886 nan 8.290 nan 0.000 0.508 172 G N -1.074 107.725 108.800 -0.002 0.000 2.522 172 G HA2 0.708 4.668 3.960 0.001 0.000 0.304 172 G HA3 0.708 4.668 3.960 0.001 0.000 0.304 172 G C -0.195 174.699 174.900 -0.011 0.000 1.210 172 G CA 0.350 45.446 45.100 -0.007 0.000 0.960 172 G HN 0.857 nan 8.290 nan 0.000 0.497 173 S N -1.298 114.395 115.700 -0.012 0.000 2.536 173 S HA 0.766 5.236 4.470 0.001 0.000 0.287 173 S C -0.328 174.277 174.600 0.008 0.000 1.101 173 S CA -0.306 57.886 58.200 -0.014 0.000 0.950 173 S CB 1.863 65.041 63.200 -0.037 0.000 1.056 173 S HN 1.172 nan 8.310 nan 0.000 0.481 174 A N 1.691 124.531 122.820 0.034 0.000 2.386 174 A HA 0.904 5.224 4.320 0.001 0.000 0.311 174 A C -1.163 176.512 177.584 0.150 0.000 1.068 174 A CA -0.800 51.296 52.037 0.098 0.000 0.743 174 A CB 1.542 20.599 19.000 0.096 0.000 1.258 174 A HN 0.731 nan 8.150 nan 0.000 0.429 175 V N 0.961 120.966 119.914 0.151 0.000 2.925 175 V HA 0.831 4.952 4.120 0.001 0.000 0.311 175 V C -0.132 175.936 176.094 -0.043 0.000 1.104 175 V CA 0.204 62.546 62.300 0.070 0.000 0.954 175 V CB 2.299 34.116 31.823 -0.011 0.000 1.022 175 V HN 1.245 nan 8.190 nan 0.000 0.427 176 T N 5.272 119.674 114.554 -0.253 0.000 2.883 176 T HA 0.735 5.085 4.350 0.001 0.000 0.284 176 T C -1.345 173.211 174.700 -0.240 0.000 1.041 176 T CA -0.589 61.243 62.100 -0.447 0.000 1.007 176 T CB 1.396 69.585 68.868 -1.132 0.000 1.220 176 T HN 0.586 nan 8.240 nan 0.000 0.552 177 L N 2.162 123.275 121.223 -0.184 0.000 2.381 177 L HA 0.652 4.992 4.340 0.001 0.000 0.274 177 L C -0.117 176.715 176.870 -0.064 0.000 0.988 177 L CA -0.711 54.054 54.840 -0.125 0.000 0.824 177 L CB 1.952 43.952 42.059 -0.098 0.000 1.263 177 L HN 0.603 nan 8.230 nan 0.000 0.410 178 S N 1.862 117.536 115.700 -0.044 0.000 2.806 178 S HA 0.707 5.177 4.470 0.001 0.000 0.315 178 S C -1.661 173.010 174.600 0.118 0.000 1.127 178 S CA -0.351 57.865 58.200 0.027 0.000 0.918 178 S CB 1.809 64.995 63.200 -0.022 0.000 1.240 178 S HN 0.411 nan 8.310 nan 0.000 0.552 179 Y N 1.138 121.414 120.300 -0.041 0.000 2.512 179 Y HA 0.470 5.020 4.550 0.001 0.000 0.348 179 Y C 0.472 176.349 175.900 -0.038 0.000 0.990 179 Y CA -1.186 56.865 58.100 -0.081 0.000 1.033 179 Y CB 1.209 39.508 38.460 -0.268 0.000 1.259 179 Y HN 0.605 nan 8.280 nan 0.000 0.461 180 L N 4.426 125.290 121.223 -0.598 0.000 2.151 180 L HA -0.214 4.126 4.340 0.001 0.000 0.215 180 L C 2.025 178.655 176.870 -0.398 0.000 1.084 180 L CA 2.693 57.281 54.840 -0.420 0.000 0.764 180 L CB -1.085 40.667 42.059 -0.511 0.000 0.891 180 L HN 0.878 nan 8.230 nan 0.000 0.435 181 A N -0.920 121.514 122.820 -0.644 0.000 2.084 181 A HA -0.157 4.164 4.320 0.001 0.000 0.221 181 A C 2.442 180.018 177.584 -0.013 0.000 1.161 181 A CA 1.681 53.587 52.037 -0.219 0.000 0.653 181 A CB -1.003 17.973 19.000 -0.040 0.000 0.802 181 A HN 0.614 nan 8.150 nan 0.000 0.457 182 A N -0.418 122.399 122.820 -0.007 0.000 1.972 182 A HA -0.141 4.180 4.320 0.001 0.000 0.219 182 A C 1.937 179.542 177.584 0.036 0.000 1.169 182 A CA 1.576 53.641 52.037 0.046 0.000 0.635 182 A CB -0.260 18.767 19.000 0.046 0.000 0.810 182 A HN 0.667 nan 8.150 nan 0.000 0.446 183 E N -1.132 119.081 120.200 0.020 0.000 2.244 183 E HA 0.094 4.444 4.350 0.001 0.000 0.196 183 E C 0.243 176.854 176.600 0.018 0.000 0.939 183 E CA 0.164 56.586 56.400 0.036 0.000 0.884 183 E CB 0.317 30.060 29.700 0.072 0.000 0.850 183 E HN 0.481 nan 8.360 nan 0.000 0.481 184 R N 0.822 121.316 120.500 -0.010 0.000 2.808 184 R HA 0.433 4.773 4.340 0.001 0.000 0.272 184 R C -0.742 175.547 176.300 -0.017 0.000 0.995 184 R CA -0.797 55.296 56.100 -0.012 0.000 0.917 184 R CB 2.229 32.515 30.300 -0.024 0.000 1.217 184 R HN -0.167 nan 8.270 nan 0.000 0.471 185 V N 2.237 122.154 119.914 0.005 0.000 2.485 185 V HA 0.073 4.193 4.120 0.001 0.000 0.287 185 V C 0.102 176.209 176.094 0.022 0.000 1.022 185 V CA -0.103 62.214 62.300 0.028 0.000 1.067 185 V CB 0.876 32.718 31.823 0.031 0.000 0.967 185 V HN 0.405 nan 8.190 nan 0.000 0.479 186 V N 7.854 127.809 119.914 0.068 0.000 2.293 186 V HA 0.301 4.421 4.120 0.001 0.000 0.275 186 V C -2.131 174.091 176.094 0.214 0.000 1.021 186 V CA -1.845 60.531 62.300 0.127 0.000 0.815 186 V CB 1.213 33.144 31.823 0.180 0.000 1.025 186 V HN 0.757 nan 8.190 nan 0.000 0.448 187 P HA 0.200 nan 4.420 nan 0.000 0.265 187 P C 1.149 178.584 177.300 0.225 0.000 1.187 187 P CA 1.440 64.622 63.100 0.137 0.000 0.766 187 P CB 0.628 32.373 31.700 0.075 0.000 0.820 188 G N 1.480 110.349 108.800 0.115 0.000 2.253 188 G HA2 -0.316 3.644 3.960 0.001 0.000 0.251 188 G HA3 -0.316 3.644 3.960 0.001 0.000 0.251 188 G C -0.011 174.724 174.900 -0.275 0.000 0.998 188 G CA -0.182 44.922 45.100 0.006 0.000 0.621 188 G HN 0.560 nan 8.290 nan 0.000 0.524 189 Y N 2.977 123.144 120.300 -0.220 0.000 2.691 189 Y HA 0.533 5.084 4.550 0.000 0.000 0.338 189 Y C 1.040 176.871 175.900 -0.114 0.000 1.148 189 Y CA 0.139 58.098 58.100 -0.234 0.000 1.430 189 Y CB -0.044 38.459 38.460 0.072 0.000 1.303 189 Y HN 0.354 nan 8.280 nan 0.000 0.499 190 G N 0.987 109.592 108.800 -0.326 0.000 3.008 190 G HA2 0.438 4.399 3.960 0.001 0.000 0.181 190 G HA3 0.438 4.399 3.960 0.001 0.000 0.181 190 G C 0.709 175.454 174.900 -0.259 0.000 1.309 190 G CA -0.588 44.386 45.100 -0.209 0.000 1.009 190 G HN 0.972 nan 8.290 nan 0.000 0.584 191 G N -1.485 107.227 108.800 -0.147 0.000 2.212 191 G HA2 0.189 4.149 3.960 0.001 0.000 0.267 191 G HA3 0.189 4.149 3.960 0.001 0.000 0.267 191 G C 1.559 176.381 174.900 -0.130 0.000 1.002 191 G CA 1.347 46.374 45.100 -0.121 0.000 0.729 191 G HN 2.465 nan 8.290 nan 0.000 0.517 192 G N -1.463 107.269 108.800 -0.113 0.000 2.187 192 G HA2 -0.307 3.653 3.960 0.001 0.000 0.261 192 G HA3 -0.307 3.653 3.960 0.001 0.000 0.261 192 G C 1.314 176.003 174.900 -0.352 0.000 1.000 192 G CA 1.375 46.328 45.100 -0.245 0.000 0.718 192 G HN 0.624 nan 8.290 nan 0.000 0.519 193 M N 1.305 120.691 119.600 -0.356 0.000 2.080 193 M HA -0.141 4.339 4.480 0.001 0.000 0.260 193 M C 2.930 179.168 176.300 -0.104 0.000 1.068 193 M CA 2.404 57.475 55.300 -0.381 0.000 1.109 193 M CB -1.641 30.407 32.600 -0.920 0.000 1.342 193 M HN 0.772 nan 8.290 nan 0.000 0.405 194 S N 0.325 116.023 115.700 -0.004 0.000 2.359 194 S HA -0.176 4.295 4.470 0.001 0.000 0.223 194 S C 2.034 176.687 174.600 0.088 0.000 1.039 194 S CA 2.035 60.373 58.200 0.230 0.000 1.042 194 S CB -1.028 62.306 63.200 0.223 0.000 0.915 194 S HN 0.495 nan 8.310 nan 0.000 0.439 195 S N 3.136 118.826 115.700 -0.018 0.000 2.359 195 S HA -0.010 4.460 4.470 0.001 0.000 0.224 195 S C 2.286 176.843 174.600 -0.072 0.000 1.035 195 S CA 1.217 59.387 58.200 -0.049 0.000 1.018 195 S CB -0.989 62.096 63.200 -0.191 0.000 0.876 195 S HN 0.842 nan 8.310 nan 0.000 0.448 196 A N 1.419 124.154 122.820 -0.141 0.000 2.016 196 A HA 0.023 4.344 4.320 0.001 0.000 0.217 196 A C 2.030 179.619 177.584 0.008 0.000 1.162 196 A CA 0.834 52.817 52.037 -0.090 0.000 0.662 196 A CB -0.184 18.733 19.000 -0.138 0.000 0.812 196 A HN 0.208 nan 8.150 nan 0.000 0.450 197 K N 0.024 120.458 120.400 0.058 0.000 2.217 197 K HA 0.097 4.417 4.320 0.001 0.000 0.202 197 K C 2.127 178.763 176.600 0.061 0.000 1.051 197 K CA 1.110 57.451 56.287 0.090 0.000 0.952 197 K CB -0.504 32.102 32.500 0.176 0.000 0.736 197 K HN 0.437 nan 8.250 nan 0.000 0.453 198 A N 1.516 124.370 122.820 0.057 0.000 1.897 198 A HA 0.005 4.325 4.320 0.001 0.000 0.215 198 A C 2.423 180.036 177.584 0.048 0.000 1.181 198 A CA 1.685 53.751 52.037 0.050 0.000 0.620 198 A CB -0.559 18.474 19.000 0.054 0.000 0.821 198 A HN 0.242 nan 8.150 nan 0.000 0.443 199 A N -0.262 122.587 122.820 0.049 0.000 1.917 199 A HA -0.140 4.180 4.320 0.001 0.000 0.219 199 A C 2.178 179.802 177.584 0.068 0.000 1.182 199 A CA 1.848 53.920 52.037 0.059 0.000 0.633 199 A CB -0.707 18.327 19.000 0.057 0.000 0.819 199 A HN 0.703 nan 8.150 nan 0.000 0.448 200 L N -0.241 121.019 121.223 0.062 0.000 2.046 200 L HA -0.166 4.175 4.340 0.001 0.000 0.208 200 L C 2.298 179.212 176.870 0.072 0.000 1.077 200 L CA 2.370 57.252 54.840 0.070 0.000 0.747 200 L CB -0.420 41.656 42.059 0.029 0.000 0.896 200 L HN 0.518 nan 8.230 nan 0.000 0.432 201 E N -1.278 118.946 120.200 0.040 0.000 2.072 201 E HA -0.212 4.139 4.350 0.001 0.000 0.191 201 E C 2.263 178.891 176.600 0.046 0.000 0.985 201 E CA 1.243 57.658 56.400 0.026 0.000 0.801 201 E CB -0.187 29.512 29.700 -0.000 0.000 0.750 201 E HN 0.494 nan 8.360 nan 0.000 0.452 202 S N 0.727 116.457 115.700 0.051 0.000 2.370 202 S HA -0.178 4.293 4.470 0.001 0.000 0.226 202 S C 1.446 176.085 174.600 0.066 0.000 1.033 202 S CA 1.541 59.772 58.200 0.052 0.000 1.011 202 S CB -0.207 63.023 63.200 0.051 0.000 0.852 202 S HN 0.177 nan 8.310 nan 0.000 0.457 203 D N 0.440 120.890 120.400 0.083 0.000 2.178 203 D HA -0.019 4.621 4.640 0.001 0.000 0.202 203 D C 2.016 178.372 176.300 0.093 0.000 0.974 203 D CA 1.085 55.135 54.000 0.083 0.000 0.841 203 D CB -0.845 40.007 40.800 0.087 0.000 0.953 203 D HN 0.377 nan 8.370 nan 0.000 0.478 204 T N 0.832 115.473 114.554 0.145 0.000 2.720 204 T HA -0.137 4.213 4.350 0.001 0.000 0.268 204 T C 1.990 176.749 174.700 0.098 0.000 1.037 204 T CA 1.007 63.207 62.100 0.167 0.000 1.144 204 T CB 0.027 68.993 68.868 0.163 0.000 0.864 204 T HN 0.178 nan 8.240 nan 0.000 0.444 205 R N 0.378 120.925 120.500 0.078 0.000 2.066 205 R HA -0.044 4.296 4.340 0.001 0.000 0.232 205 R C 2.804 179.165 176.300 0.103 0.000 1.131 205 R CA 1.642 57.786 56.100 0.073 0.000 0.955 205 R CB -0.723 29.605 30.300 0.046 0.000 0.851 205 R HN 0.318 nan 8.270 nan 0.000 0.432 206 T N 1.779 116.391 114.554 0.097 0.000 2.737 206 T HA -0.061 4.290 4.350 0.001 0.000 0.265 206 T C 1.960 176.762 174.700 0.169 0.000 1.038 206 T CA 0.997 63.178 62.100 0.135 0.000 1.144 206 T CB -0.182 68.744 68.868 0.098 0.000 0.866 206 T HN 0.095 nan 8.240 nan 0.000 0.434 207 L N 0.901 122.170 121.223 0.076 0.000 2.083 207 L HA -0.105 4.235 4.340 0.001 0.000 0.209 207 L C 3.032 179.923 176.870 0.035 0.000 1.083 207 L CA 1.130 55.977 54.840 0.012 0.000 0.752 207 L CB -0.689 41.307 42.059 -0.104 0.000 0.899 207 L HN 0.246 nan 8.230 nan 0.000 0.433 208 A N -0.189 122.676 122.820 0.075 0.000 1.940 208 A HA -0.286 4.035 4.320 0.001 0.000 0.219 208 A C 2.153 179.817 177.584 0.133 0.000 1.176 208 A CA 1.760 53.848 52.037 0.085 0.000 0.631 208 A CB -1.030 18.025 19.000 0.092 0.000 0.814 208 A HN 0.732 nan 8.150 nan 0.000 0.446 209 W N 0.742 122.033 121.300 -0.015 0.000 2.352 209 W HA -0.170 4.490 4.660 0.001 0.000 0.322 209 W C 1.887 178.387 176.519 -0.033 0.000 1.208 209 W CA 1.849 59.182 57.345 -0.020 0.000 1.286 209 W CB -0.392 29.057 29.460 -0.017 0.000 1.167 209 W HN 0.509 nan 8.180 nan 0.000 0.469 210 E N 0.615 120.720 120.200 -0.158 0.000 2.012 210 E HA -0.222 4.128 4.350 0.001 0.000 0.197 210 E C 2.404 178.810 176.600 -0.323 0.000 1.007 210 E CA 1.621 57.804 56.400 -0.362 0.000 0.816 210 E CB -0.704 28.924 29.700 -0.121 0.000 0.762 210 E HN 0.288 nan 8.360 nan 0.000 0.451 211 A N 1.216 123.951 122.820 -0.143 0.000 1.933 211 A HA -0.115 4.205 4.320 0.001 0.000 0.218 211 A C 2.411 179.952 177.584 -0.071 0.000 1.175 211 A CA 1.772 53.783 52.037 -0.043 0.000 0.628 211 A CB -1.128 17.914 19.000 0.070 0.000 0.814 211 A HN 0.374 nan 8.150 nan 0.000 0.444 212 G N -1.165 107.578 108.800 -0.095 0.000 2.418 212 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 212 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 212 G C 1.613 176.401 174.900 -0.188 0.000 1.158 212 G CA 0.978 46.025 45.100 -0.089 0.000 0.771 212 G HN 0.488 nan 8.290 nan 0.000 0.545 213 Q N 0.072 119.642 119.800 -0.384 0.000 2.049 213 Q HA -0.003 4.337 4.340 0.001 0.000 0.198 213 Q C 2.444 178.220 176.000 -0.373 0.000 0.971 213 Q CA 1.236 56.759 55.803 -0.466 0.000 0.833 213 Q CB -0.276 27.944 28.738 -0.864 0.000 0.896 213 Q HN 0.527 nan 8.270 nan 0.000 0.434 214 K N -0.271 119.860 120.400 -0.448 0.000 1.991 214 K HA -0.095 4.225 4.320 0.001 0.000 0.207 214 K C 1.628 177.951 176.600 -0.462 0.000 1.045 214 K CA 1.122 57.089 56.287 -0.534 0.000 0.937 214 K CB 0.039 32.046 32.500 -0.821 0.000 0.720 214 K HN 0.155 nan 8.250 nan 0.000 0.438 215 Y N -0.816 119.413 120.300 -0.118 0.000 2.458 215 Y HA 0.229 4.779 4.550 0.001 0.000 0.254 215 Y C 1.093 176.951 175.900 -0.071 0.000 1.120 215 Y CA -0.033 58.017 58.100 -0.083 0.000 1.282 215 Y CB 1.039 39.456 38.460 -0.071 0.000 1.109 215 Y HN 0.347 nan 8.280 nan 0.000 0.526 216 G N 1.436 110.252 108.800 0.027 0.000 2.249 216 G HA2 -0.269 3.692 3.960 0.001 0.000 0.273 216 G HA3 -0.269 3.692 3.960 0.001 0.000 0.273 216 G C -0.265 174.654 174.900 0.033 0.000 1.036 216 G CA 0.269 45.376 45.100 0.010 0.000 0.824 216 G HN 0.151 nan 8.290 nan 0.000 0.504 217 V N 0.240 120.189 119.914 0.058 0.000 2.617 217 V HA 0.562 4.683 4.120 0.001 0.000 0.298 217 V C 1.001 177.106 176.094 0.019 0.000 1.048 217 V CA -0.702 61.623 62.300 0.042 0.000 0.964 217 V CB 1.525 33.386 31.823 0.063 0.000 1.004 217 V HN 0.449 nan 8.190 nan 0.000 0.466 218 R N 2.321 122.824 120.500 0.006 0.000 2.536 218 R HA 0.810 5.150 4.340 0.001 0.000 0.279 218 R C -1.520 174.786 176.300 0.011 0.000 1.001 218 R CA -0.665 55.436 56.100 0.002 0.000 1.027 218 R CB 1.857 32.144 30.300 -0.023 0.000 1.096 218 R HN 0.488 nan 8.270 nan 0.000 0.502 219 V N 2.327 122.256 119.914 0.025 0.000 2.610 219 V HA 0.357 4.477 4.120 0.001 0.000 0.298 219 V C -0.730 175.408 176.094 0.072 0.000 1.067 219 V CA -0.976 61.361 62.300 0.061 0.000 0.894 219 V CB 1.658 33.505 31.823 0.041 0.000 1.015 219 V HN 0.800 nan 8.190 nan 0.000 0.432 220 N N 2.000 120.749 118.700 0.081 0.000 2.571 220 N HA 0.881 5.621 4.740 0.001 0.000 0.273 220 N C -0.898 174.622 175.510 0.018 0.000 1.340 220 N CA -0.511 52.559 53.050 0.034 0.000 0.789 220 N CB 2.842 41.318 38.487 -0.017 0.000 1.514 220 N HN 0.818 nan 8.380 nan 0.000 0.499 221 A N 0.878 123.673 122.820 -0.041 0.000 2.381 221 A HA 0.621 4.941 4.320 0.001 0.000 0.299 221 A C -0.798 176.702 177.584 -0.141 0.000 1.049 221 A CA -0.541 51.437 52.037 -0.099 0.000 0.715 221 A CB 0.568 19.508 19.000 -0.100 0.000 1.222 221 A HN 0.577 nan 8.150 nan 0.000 0.428 222 I N 2.033 122.511 120.570 -0.152 0.000 2.304 222 I HA 0.201 4.371 4.170 0.001 0.000 0.291 222 I C 0.727 176.728 176.117 -0.193 0.000 1.018 222 I CA -0.091 61.104 61.300 -0.176 0.000 1.260 222 I CB 1.740 39.640 38.000 -0.167 0.000 1.390 222 I HN 0.567 nan 8.210 nan 0.000 0.475 223 S N 5.975 121.523 115.700 -0.254 0.000 2.400 223 S HA 0.579 5.050 4.470 0.001 0.000 0.295 223 S C 0.110 174.690 174.600 -0.032 0.000 1.113 223 S CA -0.639 57.451 58.200 -0.183 0.000 1.064 223 S CB 0.089 63.030 63.200 -0.431 0.000 0.990 223 S HN 0.647 nan 8.310 nan 0.000 0.502 224 A N 4.129 126.960 122.820 0.017 0.000 2.279 224 A HA 0.815 5.136 4.320 0.001 0.000 0.303 224 A C 0.764 178.493 177.584 0.241 0.000 1.108 224 A CA -0.322 51.726 52.037 0.019 0.000 0.830 224 A CB 0.498 19.367 19.000 -0.218 0.000 1.106 224 A HN 0.868 nan 8.150 nan 0.000 0.493 225 G N -0.317 108.624 108.800 0.235 0.000 2.555 225 G HA2 0.557 4.518 3.960 0.001 0.000 0.292 225 G HA3 0.557 4.518 3.960 0.001 0.000 0.292 225 G C -2.800 172.248 174.900 0.247 0.000 1.271 225 G CA -1.446 43.826 45.100 0.287 0.000 1.004 225 G HN 0.530 nan 8.290 nan 0.000 0.497 226 P HA 0.325 nan 4.420 nan 0.000 0.271 226 P C -0.780 176.537 177.300 0.029 0.000 1.220 226 P CA -0.065 63.047 63.100 0.019 0.000 0.768 226 P CB 1.051 32.739 31.700 -0.020 0.000 0.848 227 L N 2.311 123.493 121.223 -0.069 0.000 2.464 227 L HA 0.385 4.726 4.340 0.001 0.000 0.266 227 L C -0.061 176.692 176.870 -0.195 0.000 0.965 227 L CA -0.598 54.140 54.840 -0.170 0.000 0.833 227 L CB 1.987 43.801 42.059 -0.409 0.000 1.296 227 L HN 0.101 nan 8.230 nan 0.000 0.405 228 K N 3.487 123.795 120.400 -0.154 0.000 2.199 228 K HA 0.172 4.492 4.320 0.001 0.000 0.226 228 K C -0.131 176.373 176.600 -0.160 0.000 1.237 228 K CA 0.054 56.258 56.287 -0.139 0.000 1.170 228 K CB -0.199 32.230 32.500 -0.118 0.000 1.418 228 K HN 0.803 nan 8.250 nan 0.000 0.255 229 S N 1.103 116.694 115.700 -0.182 0.000 2.661 229 S HA 0.267 4.737 4.470 0.001 0.000 0.265 229 S C 1.266 175.782 174.600 -0.140 0.000 1.225 229 S CA -0.875 57.227 58.200 -0.163 0.000 0.986 229 S CB 1.348 64.430 63.200 -0.197 0.000 1.008 229 S HN 0.433 nan 8.310 nan 0.000 0.565 230 R N 0.553 120.978 120.500 -0.126 0.000 2.080 230 R HA -0.102 4.239 4.340 0.001 0.000 0.236 230 R C 2.624 178.872 176.300 -0.087 0.000 1.137 230 R CA 1.563 57.590 56.100 -0.122 0.000 0.943 230 R CB -1.579 28.661 30.300 -0.100 0.000 0.846 230 R HN 0.835 nan 8.270 nan 0.000 0.431 231 A N 1.423 124.195 122.820 -0.080 0.000 1.908 231 A HA -0.129 4.191 4.320 0.001 0.000 0.218 231 A C 2.435 179.992 177.584 -0.045 0.000 1.181 231 A CA 1.938 53.934 52.037 -0.067 0.000 0.627 231 A CB -0.609 18.342 19.000 -0.081 0.000 0.818 231 A HN 0.406 nan 8.150 nan 0.000 0.445 232 A N -0.762 122.031 122.820 -0.045 0.000 1.933 232 A HA -0.071 4.249 4.320 0.001 0.000 0.218 232 A C 2.429 180.022 177.584 0.015 0.000 1.175 232 A CA 2.046 54.085 52.037 0.004 0.000 0.628 232 A CB -0.813 18.169 19.000 -0.030 0.000 0.814 232 A HN 0.449 nan 8.150 nan 0.000 0.444 233 S N -0.266 115.412 115.700 -0.036 0.000 2.382 233 S HA -0.036 4.435 4.470 0.001 0.000 0.228 233 S C 2.227 176.818 174.600 -0.015 0.000 1.027 233 S CA 1.063 59.240 58.200 -0.038 0.000 0.991 233 S CB -0.413 62.739 63.200 -0.080 0.000 0.823 233 S HN 0.808 nan 8.310 nan 0.000 0.469 234 A N 0.882 123.689 122.820 -0.021 0.000 2.125 234 A HA 0.065 4.386 4.320 0.001 0.000 0.219 234 A C 0.880 178.461 177.584 -0.004 0.000 1.156 234 A CA 0.620 52.648 52.037 -0.015 0.000 0.671 234 A CB -0.638 18.348 19.000 -0.024 0.000 0.794 234 A HN 0.480 nan 8.150 nan 0.000 0.459 235 I N -0.474 120.107 120.570 0.018 0.000 2.496 235 I HA 0.351 4.522 4.170 0.001 0.000 0.285 235 I C 1.573 177.724 176.117 0.057 0.000 1.080 235 I CA 0.913 62.222 61.300 0.015 0.000 1.404 235 I CB 0.559 38.579 38.000 0.032 0.000 1.403 235 I HN 0.401 nan 8.210 nan 0.000 0.539 236 G N 4.588 113.400 108.800 0.021 0.000 2.184 236 G HA2 -0.306 3.654 3.960 0.001 0.000 0.264 236 G HA3 -0.306 3.654 3.960 0.001 0.000 0.264 236 G C 0.352 175.277 174.900 0.042 0.000 0.975 236 G CA 0.196 45.325 45.100 0.049 0.000 0.642 236 G HN 0.789 nan 8.290 nan 0.000 0.536 237 K N 0.842 121.257 120.400 0.025 0.000 2.401 237 K HA 0.273 4.594 4.320 0.001 0.000 0.267 237 K C 0.481 177.092 176.600 0.018 0.000 1.140 237 K CA 1.062 57.359 56.287 0.018 0.000 1.199 237 K CB 0.289 32.792 32.500 0.005 0.000 0.822 237 K HN 0.205 nan 8.250 nan 0.000 0.488 238 S N 2.248 117.961 115.700 0.022 0.000 4.337 238 S HA 0.436 4.906 4.470 0.001 0.000 0.207 238 S C 0.993 175.597 174.600 0.006 0.000 1.031 238 S CA -0.214 57.995 58.200 0.016 0.000 1.792 238 S CB 0.810 64.024 63.200 0.023 0.000 0.767 238 S HN 0.809 nan 8.310 nan 0.000 0.736 239 G N 1.294 110.096 108.800 0.004 0.000 4.100 239 G HA2 0.379 4.339 3.960 0.001 0.000 0.294 239 G HA3 0.379 4.339 3.960 0.001 0.000 0.294 239 G C -0.089 174.805 174.900 -0.009 0.000 1.040 239 G CA -0.359 44.737 45.100 -0.007 0.000 0.829 239 G HN 0.546 nan 8.290 nan 0.000 0.505 240 E N -0.539 119.660 120.200 -0.001 0.000 2.450 240 E HA 0.468 4.818 4.350 0.001 0.000 0.248 240 E C -0.577 176.010 176.600 -0.022 0.000 0.930 240 E CA -1.066 55.333 56.400 -0.003 0.000 0.854 240 E CB 1.093 30.807 29.700 0.022 0.000 1.355 240 E HN -0.089 nan 8.360 nan 0.000 0.402 241 K N 1.376 121.751 120.400 -0.043 0.000 2.395 241 K HA 0.054 4.374 4.320 0.001 0.000 0.283 241 K C -0.382 176.169 176.600 -0.081 0.000 1.068 241 K CA -0.008 56.192 56.287 -0.146 0.000 1.039 241 K CB 0.211 32.558 32.500 -0.255 0.000 0.924 241 K HN 0.542 nan 8.250 nan 0.000 0.468 242 S N 3.482 119.137 115.700 -0.075 0.000 2.690 242 S HA 0.192 4.662 4.470 0.001 0.000 0.285 242 S C 0.966 175.671 174.600 0.175 0.000 1.135 242 S CA -0.813 57.433 58.200 0.077 0.000 1.020 242 S CB 0.255 63.492 63.200 0.061 0.000 1.159 242 S HN 0.628 nan 8.310 nan 0.000 0.534 243 F N 0.628 120.650 119.950 0.120 0.000 2.091 243 F HA -0.143 4.384 4.527 0.000 0.000 0.299 243 F C 1.840 177.709 175.800 0.115 0.000 1.103 243 F CA 1.707 59.797 58.000 0.149 0.000 1.228 243 F CB -0.538 38.516 39.000 0.090 0.000 0.984 243 F HN 0.494 nan 8.300 nan 0.000 0.477 244 I N 0.959 121.455 120.570 -0.124 0.000 2.315 244 I HA -0.238 3.932 4.170 0.001 0.000 0.248 244 I C 2.043 178.015 176.117 -0.242 0.000 1.117 244 I CA 1.592 62.725 61.300 -0.278 0.000 1.404 244 I CB -0.838 37.123 38.000 -0.066 0.000 1.071 244 I HN 0.148 nan 8.210 nan 0.000 0.419 245 D N -0.289 119.985 120.400 -0.211 0.000 2.104 245 D HA -0.254 4.386 4.640 0.001 0.000 0.194 245 D C 2.182 178.309 176.300 -0.289 0.000 0.994 245 D CA 1.858 55.692 54.000 -0.276 0.000 0.830 245 D CB -0.470 40.103 40.800 -0.378 0.000 0.959 245 D HN 0.451 nan 8.370 nan 0.000 0.452 246 Y N 1.313 121.542 120.300 -0.118 0.000 2.293 246 Y HA -0.129 4.422 4.550 0.001 0.000 0.291 246 Y C 2.577 178.411 175.900 -0.110 0.000 1.137 246 Y CA 0.789 58.835 58.100 -0.089 0.000 1.202 246 Y CB -0.199 38.215 38.460 -0.077 0.000 0.990 246 Y HN -0.065 nan 8.280 nan 0.000 0.537 247 A N 0.343 123.071 122.820 -0.154 0.000 1.902 247 A HA -0.169 4.151 4.320 0.001 0.000 0.217 247 A C 2.155 179.755 177.584 0.027 0.000 1.181 247 A CA 1.721 53.664 52.037 -0.156 0.000 0.623 247 A CB -0.937 17.799 19.000 -0.440 0.000 0.818 247 A HN 0.481 nan 8.150 nan 0.000 0.443 248 I N -0.190 120.365 120.570 -0.025 0.000 2.202 248 I HA -0.214 3.957 4.170 0.001 0.000 0.242 248 I C 1.938 178.109 176.117 0.090 0.000 1.091 248 I CA 1.389 62.705 61.300 0.026 0.000 1.368 248 I CB -0.470 37.508 38.000 -0.036 0.000 1.058 248 I HN 0.228 nan 8.210 nan 0.000 0.410 249 D N 0.272 120.710 120.400 0.063 0.000 2.092 249 D HA -0.269 4.371 4.640 0.001 0.000 0.193 249 D C 1.951 178.371 176.300 0.199 0.000 0.994 249 D CA 1.564 55.630 54.000 0.111 0.000 0.828 249 D CB -0.588 40.268 40.800 0.093 0.000 0.963 249 D HN 0.353 nan 8.370 nan 0.000 0.450 250 Y N 1.343 121.699 120.300 0.093 0.000 2.165 250 Y HA -0.277 4.273 4.550 0.000 0.000 0.286 250 Y C 2.574 178.523 175.900 0.080 0.000 1.155 250 Y CA 2.203 60.353 58.100 0.083 0.000 1.164 250 Y CB -0.347 38.151 38.460 0.063 0.000 0.978 250 Y HN -0.013 nan 8.280 nan 0.000 0.513 251 S N -1.004 114.806 115.700 0.184 0.000 2.371 251 S HA -0.275 4.196 4.470 0.001 0.000 0.224 251 S C 2.047 176.668 174.600 0.035 0.000 1.029 251 S CA 1.156 59.419 58.200 0.105 0.000 0.978 251 S CB -1.128 62.176 63.200 0.174 0.000 0.833 251 S HN 0.657 nan 8.310 nan 0.000 0.466 252 Y N 2.532 122.822 120.300 -0.018 0.000 2.274 252 Y HA 0.019 4.570 4.550 0.000 0.000 0.290 252 Y C 1.935 177.797 175.900 -0.064 0.000 1.145 252 Y CA 1.935 60.020 58.100 -0.025 0.000 1.203 252 Y CB -0.326 38.129 38.460 -0.008 0.000 0.984 252 Y HN 0.345 nan 8.280 nan 0.000 0.533 253 N N -0.138 118.532 118.700 -0.051 0.000 2.373 253 N HA -0.023 4.717 4.740 0.001 0.000 0.181 253 N C 0.314 175.673 175.510 -0.252 0.000 1.082 253 N CA 0.870 53.835 53.050 -0.142 0.000 0.885 253 N CB 0.015 38.468 38.487 -0.057 0.000 0.977 253 N HN 0.516 nan 8.380 nan 0.000 0.462 254 N N -0.485 118.019 118.700 -0.327 0.000 2.166 254 N HA 0.200 4.941 4.740 0.001 0.000 0.213 254 N C -0.264 175.109 175.510 -0.227 0.000 1.222 254 N CA -0.174 52.668 53.050 -0.348 0.000 0.900 254 N CB 1.044 39.148 38.487 -0.639 0.000 1.055 254 N HN 0.007 nan 8.380 nan 0.000 0.515 255 A N 1.339 124.050 122.820 -0.181 0.000 2.363 255 A HA 0.363 4.684 4.320 0.001 0.000 0.270 255 A C -1.316 176.190 177.584 -0.130 0.000 1.121 255 A CA -1.107 50.856 52.037 -0.122 0.000 0.800 255 A CB 0.276 19.236 19.000 -0.067 0.000 1.052 255 A HN -0.052 nan 8.150 nan 0.000 0.493 256 P HA -0.187 nan 4.420 nan 0.000 0.222 256 P C -0.059 177.187 177.300 -0.091 0.000 1.159 256 P CA 1.365 64.407 63.100 -0.097 0.000 0.920 256 P CB -0.152 31.499 31.700 -0.082 0.000 0.793 257 L N -0.890 120.288 121.223 -0.075 0.000 2.257 257 L HA 0.323 4.663 4.340 0.001 0.000 0.290 257 L C 0.841 177.639 176.870 -0.121 0.000 1.044 257 L CA -0.725 54.073 54.840 -0.070 0.000 0.810 257 L CB 0.810 42.854 42.059 -0.025 0.000 1.193 257 L HN -0.224 nan 8.230 nan 0.000 0.425 258 R N 4.239 124.628 120.500 -0.184 0.000 2.272 258 R HA 0.390 4.730 4.340 0.001 0.000 0.334 258 R C -0.612 175.565 176.300 -0.206 0.000 1.117 258 R CA 0.087 55.963 56.100 -0.374 0.000 0.966 258 R CB 0.184 30.234 30.300 -0.416 0.000 1.049 258 R HN 0.588 nan 8.270 nan 0.000 0.477 259 R N 1.708 122.170 120.500 -0.064 0.000 2.664 259 R HA 0.145 4.485 4.340 0.001 0.000 0.266 259 R C -1.635 174.834 176.300 0.283 0.000 1.046 259 R CA -0.842 55.343 56.100 0.142 0.000 0.885 259 R CB 1.600 31.943 30.300 0.071 0.000 1.254 259 R HN 0.505 nan 8.270 nan 0.000 0.465 260 D N 2.918 123.455 120.400 0.228 0.000 2.316 260 D HA 0.112 4.753 4.640 0.001 0.000 0.245 260 D C -0.341 176.063 176.300 0.173 0.000 1.171 260 D CA -0.335 53.776 54.000 0.184 0.000 0.856 260 D CB 1.257 42.132 40.800 0.125 0.000 1.090 260 D HN 0.138 nan 8.370 nan 0.000 0.476 261 L N 3.868 125.193 121.223 0.170 0.000 2.418 261 L HA 0.119 4.460 4.340 0.001 0.000 0.274 261 L C -0.402 176.590 176.870 0.203 0.000 1.135 261 L CA 0.258 55.208 54.840 0.182 0.000 0.870 261 L CB 0.056 42.221 42.059 0.177 0.000 1.154 261 L HN 0.366 nan 8.230 nan 0.000 0.462 262 H N 1.561 120.710 119.070 0.133 0.000 2.573 262 H HA 0.318 4.874 4.556 0.000 0.000 0.351 262 H C 1.189 176.637 175.328 0.199 0.000 1.163 262 H CA 0.197 56.323 56.048 0.131 0.000 1.205 262 H CB 1.578 31.407 29.762 0.113 0.000 1.605 262 H HN 0.770 nan 8.280 nan 0.000 0.525 263 S N 1.661 117.265 115.700 -0.160 0.000 2.419 263 S HA -0.195 4.275 4.470 0.001 0.000 0.235 263 S C 1.166 175.943 174.600 0.295 0.000 1.019 263 S CA 1.566 59.853 58.200 0.146 0.000 0.982 263 S CB -0.084 63.109 63.200 -0.012 0.000 0.789 263 S HN 0.718 nan 8.310 nan 0.000 0.490 264 D N 2.181 122.844 120.400 0.439 0.000 2.144 264 D HA -0.076 4.564 4.640 0.001 0.000 0.199 264 D C 1.498 177.914 176.300 0.195 0.000 0.984 264 D CA 1.304 55.570 54.000 0.443 0.000 0.834 264 D CB -0.602 40.528 40.800 0.551 0.000 0.955 264 D HN 0.420 nan 8.370 nan 0.000 0.465 265 D N 0.269 120.798 120.400 0.215 0.000 2.133 265 D HA -0.124 4.516 4.640 0.001 0.000 0.195 265 D C 2.219 178.524 176.300 0.008 0.000 0.997 265 D CA 0.577 54.642 54.000 0.109 0.000 0.840 265 D CB -0.311 40.573 40.800 0.140 0.000 0.947 265 D HN 0.127 nan 8.370 nan 0.000 0.452 266 V N 0.695 120.608 119.914 -0.003 0.000 2.488 266 V HA -0.049 4.072 4.120 0.001 0.000 0.246 266 V C 2.515 178.515 176.094 -0.158 0.000 1.046 266 V CA 1.639 63.855 62.300 -0.140 0.000 1.053 266 V CB -0.844 30.747 31.823 -0.388 0.000 0.679 266 V HN 0.230 nan 8.190 nan 0.000 0.458 267 G N 0.783 109.499 108.800 -0.140 0.000 2.631 267 G HA2 -0.293 3.668 3.960 0.001 0.000 0.219 267 G HA3 -0.293 3.668 3.960 0.001 0.000 0.219 267 G C 1.638 176.137 174.900 -0.668 0.000 1.214 267 G CA 1.248 46.145 45.100 -0.339 0.000 0.785 267 G HN 0.583 nan 8.290 nan 0.000 0.596 268 G N 0.734 109.018 108.800 -0.861 0.000 2.432 268 G HA2 0.104 4.064 3.960 0.001 0.000 0.219 268 G HA3 0.104 4.064 3.960 0.001 0.000 0.219 268 G C 2.025 176.857 174.900 -0.115 0.000 1.135 268 G CA 1.496 46.337 45.100 -0.431 0.000 0.767 268 G HN 0.748 nan 8.290 nan 0.000 0.550 269 A N 1.288 124.054 122.820 -0.091 0.000 1.873 269 A HA 0.300 4.621 4.320 0.001 0.000 0.215 269 A C 2.838 180.464 177.584 0.070 0.000 1.186 269 A CA 2.184 54.227 52.037 0.011 0.000 0.616 269 A CB -0.877 18.110 19.000 -0.022 0.000 0.823 269 A HN 0.749 nan 8.150 nan 0.000 0.442 270 A N -0.303 122.500 122.820 -0.028 0.000 1.908 270 A HA -0.082 4.238 4.320 0.001 0.000 0.218 270 A C 2.143 179.726 177.584 -0.001 0.000 1.181 270 A CA 1.822 53.842 52.037 -0.029 0.000 0.627 270 A CB -0.730 18.230 19.000 -0.067 0.000 0.818 270 A HN 0.841 nan 8.150 nan 0.000 0.445 271 L N -0.871 120.354 121.223 0.002 0.000 2.013 271 L HA -0.192 4.149 4.340 0.001 0.000 0.212 271 L C 2.237 179.158 176.870 0.085 0.000 1.073 271 L CA 2.695 57.565 54.840 0.051 0.000 0.753 271 L CB -0.857 41.255 42.059 0.088 0.000 0.890 271 L HN 0.496 nan 8.230 nan 0.000 0.432 272 F N -0.361 119.578 119.950 -0.018 0.000 2.069 272 F HA -0.264 4.264 4.527 0.000 0.000 0.298 272 F C 2.040 177.836 175.800 -0.006 0.000 1.113 272 F CA 2.005 60.001 58.000 -0.008 0.000 1.214 272 F CB -0.284 38.707 39.000 -0.014 0.000 0.978 272 F HN 0.081 nan 8.300 nan 0.000 0.474 273 L N 0.286 121.303 121.223 -0.343 0.000 2.201 273 L HA -0.160 4.180 4.340 0.001 0.000 0.212 273 L C 1.721 178.413 176.870 -0.296 0.000 1.105 273 L CA 0.801 55.353 54.840 -0.479 0.000 0.775 273 L CB -0.401 41.544 42.059 -0.190 0.000 0.913 273 L HN 0.288 nan 8.230 nan 0.000 0.440 274 L N -1.139 119.985 121.223 -0.165 0.000 2.653 274 L HA 0.130 4.470 4.340 0.001 0.000 0.231 274 L C 0.844 177.667 176.870 -0.079 0.000 1.153 274 L CA -0.284 54.500 54.840 -0.093 0.000 0.933 274 L CB -0.176 41.861 42.059 -0.036 0.000 1.175 274 L HN 0.175 nan 8.230 nan 0.000 0.473 275 S N -2.228 113.398 115.700 -0.123 0.000 2.607 275 S HA 0.506 4.976 4.470 0.001 0.000 0.303 275 S C -2.149 172.401 174.600 -0.083 0.000 1.086 275 S CA -1.377 56.786 58.200 -0.062 0.000 0.995 275 S CB 1.972 65.174 63.200 0.005 0.000 1.084 275 S HN -0.218 nan 8.310 nan 0.000 0.507 276 P HA -0.018 nan 4.420 nan 0.000 0.223 276 P C 1.244 178.545 177.300 0.001 0.000 1.144 276 P CA 0.459 63.550 63.100 -0.016 0.000 0.783 276 P CB -0.022 31.683 31.700 0.008 0.000 0.771 277 L N -0.821 120.425 121.223 0.038 0.000 2.187 277 L HA -0.126 4.214 4.340 0.001 0.000 0.213 277 L C 1.903 178.831 176.870 0.097 0.000 1.100 277 L CA 1.609 56.532 54.840 0.139 0.000 0.765 277 L CB -1.179 41.081 42.059 0.335 0.000 0.904 277 L HN -0.076 nan 8.230 nan 0.000 0.437 278 A N -0.994 121.696 122.820 -0.216 0.000 2.507 278 A HA 0.128 4.448 4.320 0.001 0.000 0.270 278 A C 1.871 179.356 177.584 -0.166 0.000 1.318 278 A CA -0.186 51.613 52.037 -0.397 0.000 0.924 278 A CB -0.582 17.845 19.000 -0.955 0.000 1.061 278 A HN 0.495 nan 8.150 nan 0.000 0.516 279 R N -1.420 119.039 120.500 -0.069 0.000 2.285 279 R HA 0.157 4.497 4.340 0.001 0.000 0.213 279 R C 1.102 177.393 176.300 -0.014 0.000 1.068 279 R CA 1.316 57.393 56.100 -0.039 0.000 1.004 279 R CB -0.221 30.070 30.300 -0.016 0.000 0.873 279 R HN 0.254 nan 8.270 nan 0.000 0.467 280 A N 0.890 123.711 122.820 0.003 0.000 2.430 280 A HA 0.308 4.628 4.320 0.001 0.000 0.243 280 A C 0.060 177.657 177.584 0.021 0.000 1.254 280 A CA -0.388 51.661 52.037 0.020 0.000 0.914 280 A CB 0.703 19.725 19.000 0.037 0.000 0.998 280 A HN 0.091 nan 8.150 nan 0.000 0.515 281 V N 0.571 120.481 119.914 -0.006 0.000 2.370 281 V HA 0.661 4.782 4.120 0.001 0.000 0.283 281 V C 0.032 176.113 176.094 -0.022 0.000 1.023 281 V CA -0.166 62.131 62.300 -0.005 0.000 0.857 281 V CB 0.922 32.729 31.823 -0.026 0.000 0.985 281 V HN 0.278 nan 8.190 nan 0.000 0.443 282 S N 2.833 118.538 115.700 0.008 0.000 2.537 282 S HA 0.653 5.124 4.470 0.001 0.000 0.271 282 S C 0.481 175.100 174.600 0.033 0.000 1.148 282 S CA 0.490 58.699 58.200 0.016 0.000 0.868 282 S CB 1.654 64.870 63.200 0.026 0.000 1.115 282 S HN 2.004 nan 8.310 nan 0.000 0.461 283 G N 0.838 109.661 108.800 0.038 0.000 2.148 283 G HA2 -0.206 3.755 3.960 0.001 0.000 0.254 283 G HA3 -0.206 3.755 3.960 0.001 0.000 0.254 283 G C 0.279 175.192 174.900 0.022 0.000 0.981 283 G CA 0.501 45.628 45.100 0.044 0.000 0.670 283 G HN 1.775 nan 8.290 nan 0.000 0.528 284 V N -2.611 117.307 119.914 0.005 0.000 2.973 284 V HA 0.915 5.036 4.120 0.001 0.000 0.314 284 V C 0.315 176.369 176.094 -0.065 0.000 1.066 284 V CA -0.062 62.227 62.300 -0.019 0.000 1.021 284 V CB 1.960 33.778 31.823 -0.008 0.000 1.076 284 V HN 0.402 nan 8.190 nan 0.000 0.462 285 T N 5.147 119.627 114.554 -0.124 0.000 2.963 285 T HA 0.450 4.800 4.350 0.001 0.000 0.343 285 T C -0.529 173.946 174.700 -0.375 0.000 1.146 285 T CA -0.010 61.933 62.100 -0.262 0.000 1.016 285 T CB 0.535 69.211 68.868 -0.320 0.000 1.046 285 T HN 0.770 nan 8.240 nan 0.000 0.496 286 L N 5.003 126.059 121.223 -0.279 0.000 2.295 286 L HA 0.393 4.734 4.340 0.001 0.000 0.288 286 L C -0.742 175.945 176.870 -0.304 0.000 1.079 286 L CA -0.642 54.071 54.840 -0.212 0.000 0.830 286 L CB -0.473 41.549 42.059 -0.062 0.000 1.200 286 L HN 0.531 nan 8.230 nan 0.000 0.438 287 Y N 4.532 124.717 120.300 -0.192 0.000 2.713 287 Y HA 0.157 4.707 4.550 0.001 0.000 0.341 287 Y C 0.543 176.379 175.900 -0.107 0.000 1.167 287 Y CA 0.012 57.985 58.100 -0.211 0.000 1.503 287 Y CB 0.269 38.412 38.460 -0.529 0.000 1.199 287 Y HN 0.307 nan 8.280 nan 0.000 0.525 288 V N 4.601 124.548 119.914 0.056 0.000 2.220 288 V HA 0.157 4.277 4.120 0.001 0.000 0.265 288 V C -0.218 175.934 176.094 0.097 0.000 1.078 288 V CA -0.423 61.904 62.300 0.044 0.000 0.872 288 V CB 0.280 32.078 31.823 -0.041 0.000 1.121 288 V HN 0.879 nan 8.190 nan 0.000 0.460 289 D N 1.474 121.966 120.400 0.153 0.000 2.672 289 D HA 0.036 4.676 4.640 0.001 0.000 0.287 289 D C 0.393 176.782 176.300 0.148 0.000 1.559 289 D CA -0.516 53.592 54.000 0.179 0.000 0.796 289 D CB -0.286 40.656 40.800 0.236 0.000 1.181 289 D HN 0.258 nan 8.370 nan 0.000 0.458 290 N N 1.104 119.875 118.700 0.118 0.000 2.693 290 N HA -0.184 4.556 4.740 0.001 0.000 0.249 290 N C 1.256 176.800 175.510 0.057 0.000 1.119 290 N CA 1.681 54.777 53.050 0.077 0.000 0.717 290 N CB -1.498 37.024 38.487 0.057 0.000 1.071 290 N HN 0.795 nan 8.380 nan 0.000 0.555 291 G N -1.299 107.570 108.800 0.115 0.000 2.159 291 G HA2 -0.369 3.591 3.960 0.001 0.000 0.256 291 G HA3 -0.369 3.591 3.960 0.001 0.000 0.256 291 G C 0.880 175.719 174.900 -0.102 0.000 0.977 291 G CA 0.539 45.665 45.100 0.044 0.000 0.652 291 G HN 0.424 nan 8.290 nan 0.000 0.531 292 L N 1.215 122.437 121.223 -0.001 0.000 2.042 292 L HA -0.023 4.318 4.340 0.001 0.000 0.210 292 L C 2.710 179.485 176.870 -0.159 0.000 1.076 292 L CA 3.297 58.109 54.840 -0.046 0.000 0.749 292 L CB -0.831 41.264 42.059 0.060 0.000 0.893 292 L HN 0.722 nan 8.230 nan 0.000 0.432 293 H N -1.660 117.283 119.070 -0.212 0.000 2.460 293 H HA -0.075 4.481 4.556 0.001 0.000 0.297 293 H C 1.745 176.889 175.328 -0.306 0.000 1.103 293 H CA 1.388 57.186 56.048 -0.418 0.000 1.292 293 H CB -0.674 28.456 29.762 -1.053 0.000 1.376 293 H HN 0.336 nan 8.280 nan 0.000 0.531 294 A N 1.287 123.418 122.820 -1.148 0.000 2.167 294 A HA 0.150 4.470 4.320 0.001 0.000 0.214 294 A C 0.965 178.353 177.584 -0.327 0.000 1.151 294 A CA 0.155 51.757 52.037 -0.725 0.000 0.735 294 A CB -0.175 18.420 19.000 -0.676 0.000 0.802 294 A HN 0.307 nan 8.150 nan 0.000 0.467 295 M N -0.275 119.170 119.600 -0.259 0.000 2.211 295 M HA 0.297 4.777 4.480 0.001 0.000 0.356 295 M C 1.072 177.316 176.300 -0.093 0.000 1.216 295 M CA -0.036 55.178 55.300 -0.145 0.000 1.134 295 M CB 0.701 33.233 32.600 -0.114 0.000 1.564 295 M HN 0.170 nan 8.290 nan 0.000 0.463 296 G N 1.955 110.715 108.800 -0.066 0.000 3.502 296 G HA2 0.287 4.247 3.960 0.001 0.000 0.267 296 G HA3 0.287 4.247 3.960 0.001 0.000 0.267 296 G C 0.120 175.009 174.900 -0.018 0.000 1.090 296 G CA 0.035 45.112 45.100 -0.039 0.000 0.795 296 G HN 0.684 nan 8.290 nan 0.000 0.535 297 Q N -0.614 119.179 119.800 -0.011 0.000 2.774 297 Q HA 0.455 4.796 4.340 0.001 0.000 0.232 297 Q C -1.195 174.806 176.000 0.002 0.000 0.985 297 Q CA -0.730 55.075 55.803 0.003 0.000 1.058 297 Q CB 1.004 29.735 28.738 -0.012 0.000 1.789 297 Q HN 0.240 nan 8.270 nan 0.000 0.487 298 A N 2.127 124.970 122.820 0.038 0.000 2.440 298 A HA 0.416 4.737 4.320 0.001 0.000 0.251 298 A C 1.061 178.623 177.584 -0.036 0.000 1.089 298 A CA 0.294 52.330 52.037 -0.001 0.000 0.779 298 A CB 0.389 19.454 19.000 0.108 0.000 1.022 298 A HN 0.974 nan 8.150 nan 0.000 0.492 299 V N -0.234 119.628 119.914 -0.087 0.000 2.788 299 V HA -0.018 4.103 4.120 0.001 0.000 0.251 299 V C 1.077 177.140 176.094 -0.052 0.000 1.068 299 V CA 1.796 64.055 62.300 -0.069 0.000 1.090 299 V CB -0.631 31.141 31.823 -0.086 0.000 0.710 299 V HN 0.833 nan 8.190 nan 0.000 0.467 300 D N 1.063 121.426 120.400 -0.061 0.000 2.460 300 D HA 0.126 4.767 4.640 0.001 0.000 0.229 300 D C 0.827 177.135 176.300 0.013 0.000 1.170 300 D CA 0.318 54.302 54.000 -0.025 0.000 0.827 300 D CB -0.079 40.702 40.800 -0.031 0.000 0.973 300 D HN 0.467 nan 8.370 nan 0.000 0.496 301 S N 0.124 115.837 115.700 0.020 0.000 2.572 301 S HA 0.107 4.578 4.470 0.001 0.000 0.279 301 S C 1.133 175.749 174.600 0.026 0.000 1.341 301 S CA -0.520 57.703 58.200 0.039 0.000 1.043 301 S CB 0.817 64.040 63.200 0.039 0.000 0.887 301 S HN 0.236 nan 8.310 nan 0.000 0.516 302 R N 2.390 122.907 120.500 0.029 0.000 2.339 302 R HA 0.050 4.391 4.340 0.001 0.000 0.199 302 R C 1.750 178.059 176.300 0.015 0.000 1.018 302 R CA 0.729 56.841 56.100 0.021 0.000 1.036 302 R CB -0.170 30.142 30.300 0.020 0.000 0.899 302 R HN 0.528 nan 8.270 nan 0.000 0.473 303 S N -0.054 115.655 115.700 0.015 0.000 2.522 303 S HA 0.123 4.593 4.470 0.001 0.000 0.227 303 S C 0.679 175.284 174.600 0.007 0.000 0.986 303 S CA 0.720 58.926 58.200 0.011 0.000 0.929 303 S CB 0.200 63.407 63.200 0.012 0.000 0.769 303 S HN 0.151 nan 8.310 nan 0.000 0.529 304 M N 1.668 121.272 119.600 0.007 0.000 2.591 304 M HA 0.466 4.946 4.480 0.001 0.000 0.306 304 M C -2.924 173.377 176.300 0.001 0.000 1.190 304 M CA -2.174 53.127 55.300 0.002 0.000 0.889 304 M CB 1.340 33.941 32.600 0.001 0.000 1.728 304 M HN -0.207 nan 8.290 nan 0.000 0.458 305 P HA 0.563 nan 4.420 nan 0.000 0.286 305 P C -2.422 174.875 177.300 -0.005 0.000 1.261 305 P CA -0.940 62.159 63.100 -0.002 0.000 0.821 305 P CB -0.643 31.055 31.700 -0.003 0.000 1.013 306 P HA 0.000 nan 4.420 nan 0.000 0.216 306 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 306 P CB 0.000 31.699 31.700 -0.001 0.000 0.726