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 2wj1_1_A DATA FIRST_RESID 34 DATA SEQUENCE RQKARGAATR ARQKQRASLE TMDKAVQRFR LQNPDLDSEA LLTLPLLQLV DATA SEQUENCE QKLQSGELSP EAVFFTYLGK AWEVNKGTNC VTSYLTDCET QLSQAPRQGL DATA SEQUENCE LYGVPVSLKE CFSYKGHDST LGLSLNEGMP SESDCVVVQV LKLQGAVPFV DATA SEQUENCE HTNVPQSMFS YDCSNPLFGQ TMNPWKSSKS PGGSSGGEGA LIGSGGSPLG DATA SEQUENCE LGTDIGGSIR FPSAFCGICG LKPTGNRLSK SGLKGCVYGQ TAVQLSLGPM DATA SEQUENCE ARDVESLALC LKALLCEHLF TLDPTVPPLP FREEVYRSSR PLRVGYYETD DATA SEQUENCE NYTMPSPAMR RALIETKQRL EAAGHTLIPF LPNNIPYALE VLSTGGLFSD DATA SEQUENCE GGRSFLQNFK GDFVDPCLGD LILILRLPSW FKRLLSLLLK PLFPRLAAFL DATA SEQUENCE NNMRPRSAEK LWKLQHEIEM YRQSVIAQWK AMNLDVLLTP MLGPALDLNT DATA SEQUENCE PGRATGAVSY TMLYNCLDFP AGVVPVTTVT AEDDAQMELY KGYFGDIWDI DATA SEQUENCE ILKKAMKNSV GLPVAVQCVA LPWQEELCLR FMREVEQLMT PQK 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 34 R HA 0.000 nan 4.340 nan 0.000 0.208 34 R C 0.000 176.225 176.300 -0.126 0.000 0.893 34 R CA 0.000 55.943 56.100 -0.262 0.000 0.921 34 R CB 0.000 30.012 30.300 -0.480 0.000 0.687 35 Q N 1.872 121.636 119.800 -0.060 0.000 2.050 35 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 35 Q C 1.912 177.902 176.000 -0.017 0.000 0.980 35 Q CA 2.269 58.063 55.803 -0.016 0.000 0.840 35 Q CB 0.110 28.841 28.738 -0.012 0.000 0.898 35 Q HN 0.099 nan 8.270 nan 0.000 0.424 36 K N -0.201 120.174 120.400 -0.041 0.000 2.063 36 K HA -0.093 4.226 4.320 -0.001 0.000 0.208 36 K C 1.752 178.334 176.600 -0.031 0.000 1.048 36 K CA 1.699 57.964 56.287 -0.036 0.000 0.928 36 K CB -0.706 31.766 32.500 -0.048 0.000 0.713 36 K HN 0.228 nan 8.250 nan 0.000 0.442 37 A N 0.878 123.658 122.820 -0.066 0.000 1.898 37 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 37 A C 2.145 179.803 177.584 0.122 0.000 1.181 37 A CA 1.552 53.569 52.037 -0.033 0.000 0.620 37 A CB -0.460 18.392 19.000 -0.247 0.000 0.819 37 A HN 0.372 nan 8.150 nan 0.000 0.442 38 R N -0.897 119.698 120.500 0.159 0.000 2.073 38 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 38 R C 2.423 178.767 176.300 0.075 0.000 1.134 38 R CA 1.182 57.392 56.100 0.183 0.000 0.952 38 R CB -0.699 29.699 30.300 0.164 0.000 0.850 38 R HN 0.522 nan 8.270 nan 0.000 0.433 39 G N 0.891 109.716 108.800 0.042 0.000 2.418 39 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 39 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 39 G C 1.571 176.474 174.900 0.006 0.000 1.158 39 G CA 0.835 45.946 45.100 0.018 0.000 0.771 39 G HN 0.412 nan 8.290 nan 0.000 0.545 40 A N 1.189 124.010 122.820 0.002 0.000 1.902 40 A HA 0.267 4.586 4.320 -0.001 0.000 0.217 40 A C 2.824 180.377 177.584 -0.052 0.000 1.181 40 A CA 2.269 54.294 52.037 -0.020 0.000 0.623 40 A CB -0.804 18.183 19.000 -0.023 0.000 0.818 40 A HN 0.788 nan 8.150 nan 0.000 0.443 41 A N -1.082 121.718 122.820 -0.033 0.000 1.902 41 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 41 A C 2.300 179.834 177.584 -0.082 0.000 1.181 41 A CA 2.281 54.266 52.037 -0.085 0.000 0.623 41 A CB -1.260 17.718 19.000 -0.036 0.000 0.818 41 A HN 0.426 nan 8.150 nan 0.000 0.443 42 T N -0.400 114.134 114.554 -0.032 0.000 2.708 42 T HA -0.145 4.205 4.350 -0.001 0.000 0.266 42 T C 2.083 176.775 174.700 -0.014 0.000 1.037 42 T CA 1.635 63.724 62.100 -0.017 0.000 1.146 42 T CB -0.220 68.649 68.868 0.001 0.000 0.865 42 T HN 0.502 nan 8.240 nan 0.000 0.435 43 R N 0.609 121.101 120.500 -0.015 0.000 2.090 43 R HA 0.121 4.460 4.340 -0.001 0.000 0.228 43 R C 2.780 179.085 176.300 0.008 0.000 1.110 43 R CA 1.058 57.160 56.100 0.004 0.000 0.973 43 R CB -0.344 29.959 30.300 0.007 0.000 0.869 43 R HN 0.344 nan 8.270 nan 0.000 0.440 44 A N 1.139 123.923 122.820 -0.059 0.000 1.898 44 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 44 A C 2.069 179.657 177.584 0.007 0.000 1.181 44 A CA 1.099 53.075 52.037 -0.102 0.000 0.620 44 A CB -0.270 18.413 19.000 -0.529 0.000 0.819 44 A HN 0.186 nan 8.150 nan 0.000 0.442 45 R N -0.611 119.861 120.500 -0.045 0.000 2.075 45 R HA -0.121 4.218 4.340 -0.001 0.000 0.232 45 R C 2.504 178.863 176.300 0.098 0.000 1.126 45 R CA 1.635 57.765 56.100 0.050 0.000 0.963 45 R CB -0.323 29.979 30.300 0.004 0.000 0.858 45 R HN 0.668 nan 8.270 nan 0.000 0.435 46 Q N 0.437 120.278 119.800 0.070 0.000 2.096 46 Q HA -0.184 4.155 4.340 -0.001 0.000 0.204 46 Q C 1.960 178.026 176.000 0.111 0.000 0.982 46 Q CA 1.517 57.367 55.803 0.078 0.000 0.850 46 Q CB -0.003 28.768 28.738 0.055 0.000 0.901 46 Q HN 0.280 nan 8.270 nan 0.000 0.422 47 K N 0.443 120.924 120.400 0.136 0.000 2.057 47 K HA -0.192 4.127 4.320 -0.001 0.000 0.206 47 K C 2.149 178.872 176.600 0.205 0.000 1.050 47 K CA 1.096 57.482 56.287 0.166 0.000 0.935 47 K CB -0.075 32.535 32.500 0.183 0.000 0.715 47 K HN 0.220 nan 8.250 nan 0.000 0.439 48 Q N 0.951 120.911 119.800 0.267 0.000 2.050 48 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 48 Q C 2.279 178.385 176.000 0.177 0.000 0.980 48 Q CA 1.272 57.221 55.803 0.243 0.000 0.840 48 Q CB 0.069 29.008 28.738 0.334 0.000 0.898 48 Q HN 0.156 nan 8.270 nan 0.000 0.424 49 R N -0.301 120.294 120.500 0.158 0.000 2.083 49 R HA -0.154 4.186 4.340 -0.001 0.000 0.237 49 R C 2.083 178.466 176.300 0.139 0.000 1.137 49 R CA 1.376 57.556 56.100 0.133 0.000 0.951 49 R CB -0.338 30.025 30.300 0.106 0.000 0.851 49 R HN 0.348 nan 8.270 nan 0.000 0.434 50 A N -0.125 122.775 122.820 0.133 0.000 1.930 50 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 50 A C 2.281 179.957 177.584 0.154 0.000 1.175 50 A CA 1.660 53.773 52.037 0.127 0.000 0.627 50 A CB -0.518 18.549 19.000 0.112 0.000 0.815 50 A HN 0.366 nan 8.150 nan 0.000 0.443 51 S N -0.231 115.578 115.700 0.182 0.000 2.359 51 S HA -0.156 4.313 4.470 -0.001 0.000 0.223 51 S C 1.853 176.570 174.600 0.195 0.000 1.039 51 S CA 1.702 60.041 58.200 0.233 0.000 1.042 51 S CB -0.470 62.872 63.200 0.236 0.000 0.915 51 S HN 0.520 nan 8.310 nan 0.000 0.439 52 L N 0.886 122.227 121.223 0.196 0.000 2.083 52 L HA -0.108 4.232 4.340 -0.001 0.000 0.209 52 L C 2.630 179.659 176.870 0.266 0.000 1.083 52 L CA 1.183 56.190 54.840 0.277 0.000 0.752 52 L CB -0.475 41.754 42.059 0.284 0.000 0.899 52 L HN 0.245 nan 8.230 nan 0.000 0.433 53 E N 0.139 120.449 120.200 0.184 0.000 2.085 53 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 53 E C 2.068 178.670 176.600 0.005 0.000 0.994 53 E CA 1.978 58.437 56.400 0.097 0.000 0.801 53 E CB -0.225 29.532 29.700 0.095 0.000 0.743 53 E HN 0.300 nan 8.360 nan 0.000 0.453 54 T N 0.397 114.977 114.554 0.044 0.000 2.746 54 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 54 T C 1.917 176.549 174.700 -0.114 0.000 1.039 54 T CA 1.609 63.733 62.100 0.041 0.000 1.142 54 T CB -0.219 68.770 68.868 0.202 0.000 0.866 54 T HN 0.177 nan 8.240 nan 0.000 0.444 55 M N 0.981 120.405 119.600 -0.292 0.000 2.086 55 M HA -0.121 4.358 4.480 -0.001 0.000 0.261 55 M C 2.317 178.369 176.300 -0.413 0.000 1.067 55 M CA 1.669 56.673 55.300 -0.493 0.000 1.116 55 M CB -0.423 31.953 32.600 -0.374 0.000 1.348 55 M HN 0.113 nan 8.290 nan 0.000 0.407 56 D N 0.509 120.566 120.400 -0.571 0.000 2.104 56 D HA -0.154 4.485 4.640 -0.001 0.000 0.194 56 D C 1.777 177.816 176.300 -0.436 0.000 0.994 56 D CA 1.581 55.079 54.000 -0.837 0.000 0.830 56 D CB 0.047 40.273 40.800 -0.956 0.000 0.959 56 D HN 0.212 nan 8.370 nan 0.000 0.452 57 K N -0.051 120.193 120.400 -0.260 0.000 2.063 57 K HA -0.067 4.252 4.320 -0.001 0.000 0.208 57 K C 2.198 178.718 176.600 -0.133 0.000 1.048 57 K CA 1.244 57.438 56.287 -0.156 0.000 0.928 57 K CB -0.194 32.259 32.500 -0.078 0.000 0.713 57 K HN 0.132 nan 8.250 nan 0.000 0.442 58 A N 0.924 123.685 122.820 -0.098 0.000 1.902 58 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 58 A C 2.372 179.846 177.584 -0.183 0.000 1.181 58 A CA 1.372 53.377 52.037 -0.054 0.000 0.623 58 A CB -0.612 18.506 19.000 0.196 0.000 0.818 58 A HN 0.072 nan 8.150 nan 0.000 0.443 59 V N -0.049 119.787 119.914 -0.130 0.000 2.295 59 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 59 V C 2.758 178.785 176.094 -0.112 0.000 1.049 59 V CA 2.031 64.274 62.300 -0.095 0.000 1.024 59 V CB -0.733 31.001 31.823 -0.149 0.000 0.648 59 V HN 0.520 nan 8.190 nan 0.000 0.447 60 Q N -0.152 119.546 119.800 -0.170 0.000 2.084 60 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 60 Q C 2.302 178.222 176.000 -0.134 0.000 0.978 60 Q CA 1.852 57.568 55.803 -0.146 0.000 0.844 60 Q CB -0.568 28.074 28.738 -0.160 0.000 0.898 60 Q HN 0.642 nan 8.270 nan 0.000 0.426 61 R N -0.209 120.202 120.500 -0.148 0.000 2.082 61 R HA -0.180 4.159 4.340 -0.001 0.000 0.234 61 R C 2.217 178.408 176.300 -0.181 0.000 1.136 61 R CA 1.600 57.609 56.100 -0.152 0.000 0.935 61 R CB -0.585 29.626 30.300 -0.149 0.000 0.842 61 R HN 0.226 nan 8.270 nan 0.000 0.430 62 F N 1.458 121.167 119.950 -0.403 0.000 2.120 62 F HA -0.193 4.334 4.527 -0.001 0.000 0.300 62 F C 2.194 177.878 175.800 -0.195 0.000 1.095 62 F CA 1.864 59.631 58.000 -0.388 0.000 1.249 62 F CB -0.139 38.488 39.000 -0.622 0.000 0.995 62 F HN -0.007 nan 8.300 nan 0.000 0.480 63 R N 0.056 120.439 120.500 -0.195 0.000 2.115 63 R HA -0.106 4.233 4.340 -0.001 0.000 0.230 63 R C 2.277 178.432 176.300 -0.242 0.000 1.111 63 R CA 1.527 57.494 56.100 -0.221 0.000 0.976 63 R CB -0.534 29.724 30.300 -0.070 0.000 0.870 63 R HN 0.376 nan 8.270 nan 0.000 0.445 64 L N 0.689 121.792 121.223 -0.202 0.000 2.083 64 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 64 L C 2.169 178.922 176.870 -0.195 0.000 1.083 64 L CA 1.421 56.162 54.840 -0.165 0.000 0.752 64 L CB -0.216 41.766 42.059 -0.128 0.000 0.899 64 L HN 0.249 nan 8.230 nan 0.000 0.433 65 Q N -0.658 118.981 119.800 -0.267 0.000 2.424 65 Q HA 0.077 4.416 4.340 -0.001 0.000 0.204 65 Q C 0.017 175.814 176.000 -0.338 0.000 0.933 65 Q CA 0.375 56.023 55.803 -0.259 0.000 0.929 65 Q CB 0.346 28.946 28.738 -0.229 0.000 1.037 65 Q HN 0.496 nan 8.270 nan 0.000 0.511 66 N N 0.991 119.400 118.700 -0.485 0.000 2.687 66 N HA 0.127 4.867 4.740 -0.001 0.000 0.275 66 N C -2.250 173.069 175.510 -0.319 0.000 1.789 66 N CA -0.672 52.082 53.050 -0.493 0.000 0.806 66 N CB 1.390 39.287 38.487 -0.984 0.000 1.256 66 N HN 0.081 nan 8.380 nan 0.000 0.500 67 P HA 0.012 nan 4.420 nan 0.000 0.225 67 P C 0.202 177.453 177.300 -0.083 0.000 1.156 67 P CA 1.040 64.065 63.100 -0.126 0.000 0.787 67 P CB 0.530 32.170 31.700 -0.100 0.000 0.802 68 D N -0.618 119.736 120.400 -0.076 0.000 2.328 68 D HA 0.055 4.694 4.640 -0.001 0.000 0.221 68 D C 0.631 176.919 176.300 -0.021 0.000 1.072 68 D CA -0.063 53.912 54.000 -0.042 0.000 0.850 68 D CB -0.176 40.602 40.800 -0.037 0.000 0.922 68 D HN 0.116 nan 8.370 nan 0.000 0.516 69 L N 1.747 122.960 121.223 -0.017 0.000 2.410 69 L HA 0.123 4.462 4.340 -0.001 0.000 0.273 69 L C -0.147 176.739 176.870 0.027 0.000 1.152 69 L CA 0.200 55.059 54.840 0.032 0.000 0.855 69 L CB 0.849 42.970 42.059 0.104 0.000 1.129 69 L HN -0.128 nan 8.230 nan 0.000 0.463 70 D N 2.656 123.070 120.400 0.023 0.000 2.374 70 D HA 0.079 4.718 4.640 -0.001 0.000 0.240 70 D C 1.189 177.493 176.300 0.006 0.000 1.229 70 D CA 0.086 54.091 54.000 0.009 0.000 0.895 70 D CB 1.006 41.808 40.800 0.004 0.000 1.046 70 D HN 0.611 nan 8.370 nan 0.000 0.498 71 S N 3.224 118.923 115.700 -0.002 0.000 2.377 71 S HA -0.122 4.348 4.470 -0.001 0.000 0.223 71 S C 1.461 176.020 174.600 -0.068 0.000 1.030 71 S CA 0.322 58.505 58.200 -0.029 0.000 0.970 71 S CB -0.210 62.976 63.200 -0.022 0.000 0.830 71 S HN 0.545 nan 8.310 nan 0.000 0.473 72 E N 2.142 122.311 120.200 -0.052 0.000 2.153 72 E HA -0.065 4.284 4.350 -0.001 0.000 0.194 72 E C 2.337 178.902 176.600 -0.058 0.000 0.988 72 E CA 1.126 57.489 56.400 -0.062 0.000 0.811 72 E CB -0.396 29.279 29.700 -0.042 0.000 0.746 72 E HN 0.712 nan 8.360 nan 0.000 0.466 73 A N 1.664 124.461 122.820 -0.039 0.000 1.929 73 A HA -0.070 4.249 4.320 -0.001 0.000 0.216 73 A C 2.218 179.785 177.584 -0.029 0.000 1.176 73 A CA 0.577 52.598 52.037 -0.026 0.000 0.628 73 A CB -0.578 18.416 19.000 -0.011 0.000 0.816 73 A HN 0.229 nan 8.150 nan 0.000 0.444 74 L N -0.406 120.792 121.223 -0.042 0.000 2.017 74 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 74 L C 2.296 179.109 176.870 -0.094 0.000 1.073 74 L CA 1.501 56.313 54.840 -0.047 0.000 0.745 74 L CB -0.227 41.799 42.059 -0.054 0.000 0.894 74 L HN 0.403 nan 8.230 nan 0.000 0.432 75 L N -0.603 120.504 121.223 -0.194 0.000 2.201 75 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 75 L C 2.300 179.110 176.870 -0.101 0.000 1.105 75 L CA 1.546 56.197 54.840 -0.316 0.000 0.775 75 L CB -0.673 41.169 42.059 -0.362 0.000 0.913 75 L HN 0.485 nan 8.230 nan 0.000 0.440 76 T N -3.586 110.938 114.554 -0.051 0.000 3.086 76 T HA 0.140 4.490 4.350 -0.001 0.000 0.250 76 T C 0.587 175.300 174.700 0.021 0.000 1.074 76 T CA -0.401 61.694 62.100 -0.007 0.000 0.988 76 T CB -0.021 68.837 68.868 -0.016 0.000 0.988 76 T HN -0.143 nan 8.240 nan 0.000 0.530 77 L N 3.574 124.814 121.223 0.029 0.000 2.513 77 L HA 0.360 4.699 4.340 -0.001 0.000 0.272 77 L C -2.083 174.823 176.870 0.061 0.000 1.187 77 L CA -2.238 52.627 54.840 0.043 0.000 0.895 77 L CB 0.133 42.220 42.059 0.046 0.000 1.147 77 L HN 0.078 nan 8.230 nan 0.000 0.483 78 P HA -0.065 nan 4.420 nan 0.000 0.266 78 P C 0.799 178.126 177.300 0.045 0.000 1.193 78 P CA -0.338 62.791 63.100 0.049 0.000 0.770 78 P CB 0.515 32.239 31.700 0.041 0.000 0.836 79 L N 3.499 124.743 121.223 0.034 0.000 2.043 79 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 79 L C 1.845 178.723 176.870 0.013 0.000 1.075 79 L CA 1.947 56.794 54.840 0.013 0.000 0.752 79 L CB -1.133 40.918 42.059 -0.014 0.000 0.891 79 L HN 0.330 nan 8.230 nan 0.000 0.432 80 L N -0.871 120.364 121.223 0.019 0.000 2.131 80 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 80 L C 2.567 179.455 176.870 0.029 0.000 1.092 80 L CA 1.702 56.555 54.840 0.023 0.000 0.759 80 L CB -1.101 40.978 42.059 0.033 0.000 0.903 80 L HN 0.527 nan 8.230 nan 0.000 0.435 81 Q N -0.693 119.126 119.800 0.032 0.000 2.096 81 Q HA -0.187 4.152 4.340 -0.001 0.000 0.197 81 Q C 2.244 178.265 176.000 0.035 0.000 0.964 81 Q CA 0.755 56.578 55.803 0.034 0.000 0.838 81 Q CB -0.145 28.613 28.738 0.034 0.000 0.906 81 Q HN 0.271 nan 8.270 nan 0.000 0.444 82 L N 0.641 121.887 121.223 0.038 0.000 2.013 82 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 82 L C 2.178 179.066 176.870 0.030 0.000 1.073 82 L CA 1.485 56.349 54.840 0.040 0.000 0.753 82 L CB -0.472 41.617 42.059 0.050 0.000 0.890 82 L HN -0.002 nan 8.230 nan 0.000 0.432 83 V N -0.301 119.627 119.914 0.024 0.000 2.343 83 V HA -0.339 3.780 4.120 -0.001 0.000 0.247 83 V C 2.529 178.653 176.094 0.049 0.000 1.051 83 V CA 2.147 64.465 62.300 0.030 0.000 1.036 83 V CB -0.716 31.119 31.823 0.019 0.000 0.654 83 V HN 0.619 nan 8.190 nan 0.000 0.451 84 Q N -0.094 119.732 119.800 0.042 0.000 2.084 84 Q HA -0.239 4.100 4.340 -0.001 0.000 0.202 84 Q C 2.242 178.272 176.000 0.051 0.000 0.978 84 Q CA 1.461 57.291 55.803 0.044 0.000 0.844 84 Q CB -0.325 28.434 28.738 0.037 0.000 0.898 84 Q HN 0.585 nan 8.270 nan 0.000 0.426 85 K N 0.738 121.167 120.400 0.048 0.000 2.097 85 K HA -0.078 4.242 4.320 -0.001 0.000 0.205 85 K C 2.087 178.727 176.600 0.067 0.000 1.050 85 K CA 0.898 57.215 56.287 0.050 0.000 0.938 85 K CB -0.067 32.459 32.500 0.043 0.000 0.718 85 K HN 0.129 nan 8.250 nan 0.000 0.442 86 L N 0.612 121.879 121.223 0.073 0.000 2.017 86 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 86 L C 2.561 179.554 176.870 0.206 0.000 1.073 86 L CA 1.133 56.039 54.840 0.110 0.000 0.745 86 L CB -0.233 41.859 42.059 0.055 0.000 0.894 86 L HN 0.132 nan 8.230 nan 0.000 0.432 87 Q N -0.232 119.665 119.800 0.161 0.000 2.224 87 Q HA -0.148 4.191 4.340 -0.001 0.000 0.203 87 Q C 2.221 178.262 176.000 0.069 0.000 0.970 87 Q CA 1.631 57.504 55.803 0.117 0.000 0.865 87 Q CB -0.023 28.760 28.738 0.074 0.000 0.922 87 Q HN 0.555 nan 8.270 nan 0.000 0.445 88 S N -2.684 113.056 115.700 0.067 0.000 2.548 88 S HA 0.272 4.741 4.470 -0.001 0.000 0.215 88 S C 1.422 176.054 174.600 0.053 0.000 0.976 88 S CA 0.303 58.532 58.200 0.048 0.000 0.908 88 S CB 0.443 63.667 63.200 0.040 0.000 0.781 88 S HN 0.484 nan 8.310 nan 0.000 0.519 89 G N 1.462 110.309 108.800 0.078 0.000 2.162 89 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.260 89 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.260 89 G C 0.563 175.501 174.900 0.064 0.000 0.976 89 G CA 0.517 45.665 45.100 0.079 0.000 0.655 89 G HN 0.547 nan 8.290 nan 0.000 0.533 90 E N -0.791 119.443 120.200 0.057 0.000 2.106 90 E HA 0.104 4.453 4.350 -0.001 0.000 0.192 90 E C 0.942 177.573 176.600 0.052 0.000 0.984 90 E CA 0.543 56.972 56.400 0.048 0.000 0.806 90 E CB -0.004 29.720 29.700 0.041 0.000 0.750 90 E HN 0.596 nan 8.360 nan 0.000 0.458 91 L N 0.698 121.954 121.223 0.056 0.000 2.346 91 L HA 0.237 4.577 4.340 -0.001 0.000 0.274 91 L C 0.008 176.913 176.870 0.059 0.000 1.007 91 L CA -0.875 53.998 54.840 0.056 0.000 0.818 91 L CB 1.941 44.027 42.059 0.044 0.000 1.284 91 L HN -0.048 nan 8.230 nan 0.000 0.424 92 S N 1.397 117.135 115.700 0.064 0.000 2.586 92 S HA 0.367 4.836 4.470 -0.001 0.000 0.274 92 S C -1.837 172.758 174.600 -0.008 0.000 1.281 92 S CA -1.145 57.089 58.200 0.056 0.000 1.035 92 S CB 1.264 64.521 63.200 0.095 0.000 0.962 92 S HN 0.454 nan 8.310 nan 0.000 0.512 93 P HA -0.082 nan 4.420 nan 0.000 0.219 93 P C 0.808 178.026 177.300 -0.137 0.000 1.146 93 P CA 1.160 64.144 63.100 -0.193 0.000 0.808 93 P CB 0.038 31.521 31.700 -0.361 0.000 0.779 94 E N 0.543 120.706 120.200 -0.062 0.000 2.051 94 E HA -0.117 4.232 4.350 -0.001 0.000 0.192 94 E C 2.320 178.845 176.600 -0.126 0.000 0.991 94 E CA 1.656 58.044 56.400 -0.021 0.000 0.799 94 E CB -1.380 28.428 29.700 0.180 0.000 0.748 94 E HN 0.174 nan 8.360 nan 0.000 0.449 95 A N 0.620 123.420 122.820 -0.035 0.000 1.883 95 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 95 A C 2.514 180.016 177.584 -0.137 0.000 1.186 95 A CA 1.693 53.693 52.037 -0.061 0.000 0.624 95 A CB -0.882 18.222 19.000 0.174 0.000 0.822 95 A HN 0.147 nan 8.150 nan 0.000 0.444 96 V N -1.220 118.651 119.914 -0.072 0.000 2.261 96 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 96 V C 2.303 178.344 176.094 -0.088 0.000 1.047 96 V CA 2.222 64.500 62.300 -0.036 0.000 1.015 96 V CB -1.013 30.794 31.823 -0.027 0.000 0.642 96 V HN 0.640 nan 8.190 nan 0.000 0.446 97 F N 0.319 120.053 119.950 -0.359 0.000 2.102 97 F HA -0.178 4.348 4.527 -0.001 0.000 0.298 97 F C 2.024 177.477 175.800 -0.579 0.000 1.105 97 F CA 1.751 59.429 58.000 -0.537 0.000 1.239 97 F CB -0.355 38.235 39.000 -0.683 0.000 0.991 97 F HN 0.121 nan 8.300 nan 0.000 0.474 98 F N 0.313 120.078 119.950 -0.307 0.000 2.325 98 F HA -0.070 4.457 4.527 -0.002 0.000 0.299 98 F C 2.494 178.067 175.800 -0.377 0.000 1.090 98 F CA 1.444 59.177 58.000 -0.445 0.000 1.392 98 F CB -1.339 37.186 39.000 -0.791 0.000 1.053 98 F HN -0.098 nan 8.300 nan 0.000 0.521 99 T N -1.363 113.075 114.554 -0.193 0.000 2.770 99 T HA -0.187 4.163 4.350 -0.001 0.000 0.263 99 T C 1.712 176.273 174.700 -0.232 0.000 1.039 99 T CA 1.305 63.317 62.100 -0.148 0.000 1.142 99 T CB -0.504 68.274 68.868 -0.149 0.000 0.868 99 T HN 0.137 nan 8.240 nan 0.000 0.435 100 Y N 0.772 120.891 120.300 -0.301 0.000 2.242 100 Y HA 0.020 4.569 4.550 -0.001 0.000 0.291 100 Y C 2.141 177.817 175.900 -0.372 0.000 1.137 100 Y CA 0.412 58.304 58.100 -0.347 0.000 1.181 100 Y CB -0.480 37.684 38.460 -0.494 0.000 0.989 100 Y HN 0.078 nan 8.280 nan 0.000 0.527 101 L N -0.253 120.719 121.223 -0.417 0.000 2.012 101 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 101 L C 2.469 179.320 176.870 -0.031 0.000 1.073 101 L CA 2.212 56.873 54.840 -0.299 0.000 0.748 101 L CB -1.246 40.532 42.059 -0.468 0.000 0.891 101 L HN 0.221 nan 8.230 nan 0.000 0.431 102 G N -1.076 107.706 108.800 -0.030 0.000 2.440 102 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.218 102 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.218 102 G C 1.703 176.675 174.900 0.121 0.000 1.154 102 G CA 1.044 46.173 45.100 0.049 0.000 0.767 102 G HN 0.338 nan 8.290 nan 0.000 0.552 103 K N 1.081 121.502 120.400 0.034 0.000 2.057 103 K HA 0.178 4.498 4.320 -0.001 0.000 0.206 103 K C 2.709 179.372 176.600 0.105 0.000 1.050 103 K CA 1.477 57.785 56.287 0.035 0.000 0.935 103 K CB -0.705 31.751 32.500 -0.074 0.000 0.715 103 K HN 0.168 nan 8.250 nan 0.000 0.439 104 A N -0.247 122.670 122.820 0.162 0.000 1.908 104 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 104 A C 2.169 179.854 177.584 0.168 0.000 1.181 104 A CA 1.704 53.861 52.037 0.199 0.000 0.627 104 A CB -1.190 18.019 19.000 0.349 0.000 0.818 104 A HN 0.679 nan 8.150 nan 0.000 0.445 105 W N 0.752 122.058 121.300 0.010 0.000 2.381 105 W HA -0.126 4.533 4.660 -0.002 0.000 0.301 105 W C 2.020 178.533 176.519 -0.010 0.000 1.205 105 W CA 1.872 59.210 57.345 -0.012 0.000 1.285 105 W CB -0.134 29.306 29.460 -0.033 0.000 1.133 105 W HN 0.484 nan 8.180 nan 0.000 0.521 106 E N -0.169 120.119 120.200 0.147 0.000 2.031 106 E HA -0.274 4.075 4.350 -0.001 0.000 0.193 106 E C 2.220 178.744 176.600 -0.128 0.000 0.994 106 E CA 2.538 58.921 56.400 -0.029 0.000 0.800 106 E CB -0.747 29.010 29.700 0.095 0.000 0.752 106 E HN 0.298 nan 8.360 nan 0.000 0.447 107 V N 0.024 119.904 119.914 -0.057 0.000 2.667 107 V HA -0.160 3.960 4.120 -0.001 0.000 0.252 107 V C 1.841 177.880 176.094 -0.092 0.000 1.065 107 V CA 2.014 64.276 62.300 -0.064 0.000 1.083 107 V CB -0.610 31.199 31.823 -0.022 0.000 0.692 107 V HN 0.143 nan 8.190 nan 0.000 0.468 108 N N 1.122 119.750 118.700 -0.120 0.000 2.289 108 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 108 N C 1.707 177.098 175.510 -0.198 0.000 1.016 108 N CA 1.687 54.651 53.050 -0.144 0.000 0.872 108 N CB -0.396 37.998 38.487 -0.155 0.000 0.973 108 N HN 0.618 nan 8.380 nan 0.000 0.433 109 K N -1.105 119.122 120.400 -0.288 0.000 2.074 109 K HA -0.067 4.252 4.320 -0.001 0.000 0.209 109 K C 1.790 178.297 176.600 -0.154 0.000 1.048 109 K CA 1.435 57.559 56.287 -0.271 0.000 0.926 109 K CB -0.304 32.003 32.500 -0.321 0.000 0.713 109 K HN 0.291 nan 8.250 nan 0.000 0.444 110 G N -0.296 108.432 108.800 -0.120 0.000 2.986 110 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.213 110 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.213 110 G C 1.254 176.124 174.900 -0.050 0.000 1.156 110 G CA 0.781 45.835 45.100 -0.076 0.000 0.763 110 G HN 0.407 nan 8.290 nan 0.000 0.547 111 T N -3.270 111.253 114.554 -0.051 0.000 2.955 111 T HA 0.119 4.468 4.350 -0.001 0.000 0.251 111 T C 0.966 175.655 174.700 -0.019 0.000 1.002 111 T CA 0.450 62.537 62.100 -0.022 0.000 0.970 111 T CB -0.058 68.804 68.868 -0.010 0.000 1.091 111 T HN 0.152 nan 8.240 nan 0.000 0.495 112 N N 0.867 119.544 118.700 -0.039 0.000 2.714 112 N HA -0.203 4.536 4.740 -0.001 0.000 0.253 112 N C 0.728 176.227 175.510 -0.017 0.000 1.024 112 N CA 0.680 53.715 53.050 -0.025 0.000 0.726 112 N CB -1.806 36.682 38.487 0.001 0.000 0.908 112 N HN 0.815 nan 8.380 nan 0.000 0.542 113 C N -3.248 116.033 119.300 -0.032 0.000 2.674 113 C HA 0.480 4.939 4.460 -0.001 0.000 0.276 113 C C 0.979 175.928 174.990 -0.069 0.000 1.300 113 C CA -0.417 58.580 59.018 -0.034 0.000 1.732 113 C CB -0.692 27.036 27.740 -0.019 0.000 2.076 113 C HN 0.234 nan 8.230 nan 0.000 0.548 114 V N 3.131 122.996 119.914 -0.080 0.000 2.383 114 V HA 0.352 4.471 4.120 -0.001 0.000 0.275 114 V C 1.534 177.532 176.094 -0.160 0.000 1.036 114 V CA 0.945 63.181 62.300 -0.106 0.000 0.889 114 V CB 1.287 33.074 31.823 -0.061 0.000 0.985 114 V HN 0.663 nan 8.190 nan 0.000 0.459 115 T N 0.388 114.775 114.554 -0.277 0.000 3.044 115 T HA 0.155 4.504 4.350 -0.001 0.000 0.255 115 T C 0.726 175.253 174.700 -0.288 0.000 1.073 115 T CA 0.484 62.241 62.100 -0.572 0.000 1.125 115 T CB 0.397 68.617 68.868 -1.081 0.000 0.908 115 T HN 0.553 nan 8.240 nan 0.000 0.480 116 S N -0.475 115.159 115.700 -0.111 0.000 2.535 116 S HA 0.476 4.946 4.470 -0.001 0.000 0.272 116 S C -2.020 172.589 174.600 0.016 0.000 1.149 116 S CA -1.018 57.196 58.200 0.024 0.000 0.888 116 S CB 1.301 64.553 63.200 0.086 0.000 1.110 116 S HN 0.447 nan 8.310 nan 0.000 0.463 117 Y N 5.067 125.349 120.300 -0.029 0.000 2.327 117 Y HA 0.465 5.015 4.550 0.000 0.000 0.336 117 Y C 0.657 176.491 175.900 -0.109 0.000 1.035 117 Y CA -0.581 57.494 58.100 -0.041 0.000 1.165 117 Y CB 0.705 39.212 38.460 0.079 0.000 1.181 117 Y HN 0.685 nan 8.280 nan 0.000 0.494 118 L N 5.996 126.815 121.223 -0.673 0.000 2.650 118 L HA -0.057 4.283 4.340 -0.001 0.000 0.235 118 L C 1.550 178.056 176.870 -0.606 0.000 1.149 118 L CA 1.006 55.290 54.840 -0.926 0.000 0.887 118 L CB -1.287 40.024 42.059 -1.248 0.000 1.021 118 L HN 1.153 nan 8.230 nan 0.000 0.441 119 T N -3.554 110.484 114.554 -0.859 0.000 13.132 119 T HA -0.422 3.928 4.350 -0.001 0.000 0.419 119 T C 0.904 175.503 174.700 -0.168 0.000 1.442 119 T CA 1.645 63.518 62.100 -0.377 0.000 2.366 119 T CB -1.359 67.522 68.868 0.022 0.000 2.813 119 T HN 0.305 nan 8.240 nan 0.000 0.650 120 D N 2.134 122.513 120.400 -0.036 0.000 2.378 120 D HA 0.210 4.849 4.640 -0.001 0.000 0.227 120 D C 2.263 178.543 176.300 -0.033 0.000 1.012 120 D CA 0.997 55.006 54.000 0.015 0.000 0.905 120 D CB -0.596 40.260 40.800 0.092 0.000 0.895 120 D HN 1.005 nan 8.370 nan 0.000 0.532 121 C N -0.103 119.134 119.300 -0.106 0.000 2.422 121 C HA -0.011 4.448 4.460 -0.001 0.000 0.286 121 C C 2.078 176.887 174.990 -0.302 0.000 1.412 121 C CA -0.176 58.768 59.018 -0.124 0.000 1.786 121 C CB -0.971 26.747 27.740 -0.037 0.000 1.835 121 C HN 0.245 nan 8.230 nan 0.000 0.533 122 E N 1.645 121.695 120.200 -0.250 0.000 2.208 122 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 122 E C 2.397 178.886 176.600 -0.186 0.000 0.988 122 E CA 1.762 57.981 56.400 -0.301 0.000 0.828 122 E CB -0.123 29.552 29.700 -0.042 0.000 0.763 122 E HN 0.944 nan 8.360 nan 0.000 0.478 123 T N -1.191 113.298 114.554 -0.108 0.000 2.978 123 T HA -0.146 4.203 4.350 -0.001 0.000 0.262 123 T C 2.006 176.658 174.700 -0.081 0.000 1.063 123 T CA 0.890 62.950 62.100 -0.068 0.000 1.140 123 T CB 0.036 68.886 68.868 -0.030 0.000 0.886 123 T HN -0.032 nan 8.240 nan 0.000 0.470 124 Q N 1.143 120.887 119.800 -0.093 0.000 2.084 124 Q HA 0.046 4.385 4.340 -0.001 0.000 0.202 124 Q C 2.223 178.148 176.000 -0.124 0.000 0.978 124 Q CA 1.275 57.028 55.803 -0.082 0.000 0.844 124 Q CB -1.002 27.705 28.738 -0.051 0.000 0.898 124 Q HN 0.559 nan 8.270 nan 0.000 0.426 125 L N 0.341 121.424 121.223 -0.233 0.000 2.051 125 L HA -0.225 4.114 4.340 -0.001 0.000 0.214 125 L C 2.253 179.022 176.870 -0.168 0.000 1.076 125 L CA 2.281 56.940 54.840 -0.303 0.000 0.758 125 L CB -0.753 40.967 42.059 -0.566 0.000 0.890 125 L HN 0.571 nan 8.230 nan 0.000 0.433 126 S N -1.794 113.839 115.700 -0.112 0.000 2.470 126 S HA -0.152 4.317 4.470 -0.001 0.000 0.225 126 S C 1.614 176.212 174.600 -0.003 0.000 1.006 126 S CA 0.397 58.572 58.200 -0.041 0.000 0.934 126 S CB -0.012 63.172 63.200 -0.027 0.000 0.778 126 S HN 0.572 nan 8.310 nan 0.000 0.517 127 Q N 0.756 120.547 119.800 -0.015 0.000 2.319 127 Q HA 0.453 4.792 4.340 -0.001 0.000 0.202 127 Q C 0.500 176.518 176.000 0.030 0.000 0.896 127 Q CA 0.098 55.903 55.803 0.003 0.000 0.942 127 Q CB 0.325 29.054 28.738 -0.015 0.000 1.083 127 Q HN 0.689 nan 8.270 nan 0.000 0.510 128 A N 3.121 125.972 122.820 0.051 0.000 2.561 128 A HA 0.126 4.445 4.320 -0.001 0.000 0.251 128 A C -2.217 175.489 177.584 0.203 0.000 1.062 128 A CA -0.896 51.209 52.037 0.112 0.000 0.761 128 A CB -0.312 18.736 19.000 0.080 0.000 0.986 128 A HN 0.000 nan 8.150 nan 0.000 0.510 129 P HA 0.062 nan 4.420 nan 0.000 0.262 129 P C 0.891 178.158 177.300 -0.055 0.000 1.199 129 P CA -0.151 62.970 63.100 0.034 0.000 0.763 129 P CB 0.473 32.185 31.700 0.019 0.000 0.790 130 R N 2.627 122.956 120.500 -0.285 0.000 2.127 130 R HA -0.176 4.163 4.340 -0.001 0.000 0.238 130 R C 1.192 177.182 176.300 -0.518 0.000 1.134 130 R CA 1.697 57.327 56.100 -0.784 0.000 0.975 130 R CB -0.105 29.882 30.300 -0.522 0.000 0.865 130 R HN 0.561 nan 8.270 nan 0.000 0.447 131 Q N -0.759 118.906 119.800 -0.225 0.000 2.403 131 Q HA 0.126 4.466 4.340 -0.001 0.000 0.203 131 Q C 0.303 176.275 176.000 -0.046 0.000 0.932 131 Q CA 0.094 55.826 55.803 -0.119 0.000 0.945 131 Q CB 0.813 29.509 28.738 -0.070 0.000 1.045 131 Q HN 0.250 nan 8.270 nan 0.000 0.511 132 G N -0.299 108.494 108.800 -0.013 0.000 2.441 132 G HA2 0.110 4.069 3.960 -0.001 0.000 0.243 132 G HA3 0.110 4.069 3.960 -0.001 0.000 0.243 132 G C 0.347 175.283 174.900 0.061 0.000 1.281 132 G CA -0.476 44.654 45.100 0.050 0.000 0.854 132 G HN 0.192 nan 8.290 nan 0.000 0.560 133 L N 1.365 122.609 121.223 0.036 0.000 2.191 133 L HA 0.014 4.353 4.340 -0.001 0.000 0.212 133 L C 2.251 179.137 176.870 0.027 0.000 1.103 133 L CA 1.268 56.120 54.840 0.020 0.000 0.769 133 L CB -0.256 41.796 42.059 -0.012 0.000 0.908 133 L HN 0.490 nan 8.230 nan 0.000 0.438 134 L N -1.770 119.474 121.223 0.035 0.000 2.928 134 L HA 0.133 4.472 4.340 -0.001 0.000 0.246 134 L C -0.126 176.774 176.870 0.050 0.000 1.239 134 L CA -0.606 54.244 54.840 0.017 0.000 1.035 134 L CB -0.360 41.687 42.059 -0.021 0.000 1.360 134 L HN 0.088 nan 8.230 nan 0.000 0.529 135 Y N 1.230 121.512 120.300 -0.030 0.000 2.745 135 Y HA 0.188 4.737 4.550 -0.002 0.000 0.335 135 Y C 1.417 177.299 175.900 -0.029 0.000 1.212 135 Y CA 1.006 59.090 58.100 -0.028 0.000 1.535 135 Y CB 0.418 38.867 38.460 -0.019 0.000 1.220 135 Y HN 0.370 nan 8.280 nan 0.000 0.531 136 G N 3.675 112.180 108.800 -0.492 0.000 2.159 136 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.256 136 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.256 136 G C -0.538 174.214 174.900 -0.247 0.000 0.977 136 G CA 0.029 44.822 45.100 -0.513 0.000 0.652 136 G HN 0.727 nan 8.290 nan 0.000 0.531 137 V N 2.359 122.174 119.914 -0.165 0.000 2.406 137 V HA 0.436 4.555 4.120 -0.001 0.000 0.272 137 V C -1.642 174.372 176.094 -0.132 0.000 1.043 137 V CA -1.511 60.703 62.300 -0.144 0.000 0.915 137 V CB 1.500 33.258 31.823 -0.109 0.000 0.988 137 V HN 0.139 nan 8.190 nan 0.000 0.466 138 P HA 0.280 nan 4.420 nan 0.000 0.276 138 P C -0.849 176.442 177.300 -0.015 0.000 1.235 138 P CA -0.051 62.943 63.100 -0.175 0.000 0.772 138 P CB 0.941 32.258 31.700 -0.639 0.000 0.871 139 V N 2.956 122.993 119.914 0.204 0.000 2.588 139 V HA 0.379 4.499 4.120 -0.001 0.000 0.304 139 V C 0.090 176.194 176.094 0.018 0.000 1.042 139 V CA -0.545 61.805 62.300 0.083 0.000 0.877 139 V CB 2.054 33.860 31.823 -0.028 0.000 0.996 139 V HN 0.594 nan 8.190 nan 0.000 0.425 140 S N 5.510 121.141 115.700 -0.115 0.000 2.578 140 S HA 0.842 5.311 4.470 -0.001 0.000 0.283 140 S C -0.755 173.712 174.600 -0.221 0.000 1.195 140 S CA -0.728 57.282 58.200 -0.318 0.000 1.050 140 S CB 1.316 64.344 63.200 -0.288 0.000 1.012 140 S HN 0.509 nan 8.310 nan 0.000 0.511 141 L N 1.893 123.006 121.223 -0.184 0.000 2.356 141 L HA 0.508 4.847 4.340 -0.001 0.000 0.277 141 L C 0.159 177.080 176.870 0.085 0.000 0.996 141 L CA -0.885 53.907 54.840 -0.081 0.000 0.822 141 L CB 1.825 43.900 42.059 0.026 0.000 1.256 141 L HN 0.735 nan 8.230 nan 0.000 0.413 142 K N 2.092 122.600 120.400 0.179 0.000 2.559 142 K HA -0.105 4.214 4.320 -0.001 0.000 0.279 142 K C 1.089 177.740 176.600 0.085 0.000 0.967 142 K CA 0.279 56.684 56.287 0.197 0.000 1.000 142 K CB 0.646 33.334 32.500 0.314 0.000 0.890 142 K HN 0.668 nan 8.250 nan 0.000 0.501 143 E N 2.438 122.551 120.200 -0.145 0.000 2.265 143 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 143 E C 1.522 177.856 176.600 -0.444 0.000 0.996 143 E CA 1.509 57.604 56.400 -0.509 0.000 0.832 143 E CB -0.084 29.448 29.700 -0.280 0.000 0.756 143 E HN 0.804 nan 8.360 nan 0.000 0.491 144 C N -0.406 118.772 119.300 -0.204 0.000 2.472 144 C HA 0.107 4.566 4.460 -0.001 0.000 0.278 144 C C 1.130 175.994 174.990 -0.210 0.000 1.447 144 C CA -0.744 58.153 59.018 -0.202 0.000 1.773 144 C CB -1.787 25.814 27.740 -0.232 0.000 1.793 144 C HN 0.049 nan 8.230 nan 0.000 0.544 145 F N 3.403 123.328 119.950 -0.041 0.000 2.494 145 F HA 0.254 4.780 4.527 -0.002 0.000 0.351 145 F C 1.080 176.994 175.800 0.190 0.000 1.205 145 F CA 0.093 58.139 58.000 0.076 0.000 1.125 145 F CB -0.087 38.972 39.000 0.099 0.000 1.268 145 F HN 0.078 nan 8.300 nan 0.000 0.593 146 S N 3.441 119.291 115.700 0.250 0.000 2.563 146 S HA -0.064 4.405 4.470 -0.001 0.000 0.294 146 S C -0.732 174.065 174.600 0.330 0.000 1.279 146 S CA 0.190 58.544 58.200 0.257 0.000 1.069 146 S CB 0.009 63.295 63.200 0.144 0.000 0.828 146 S HN 0.517 nan 8.310 nan 0.000 0.497 147 Y N 2.250 122.677 120.300 0.213 0.000 2.373 147 Y HA 0.328 4.878 4.550 0.000 0.000 0.336 147 Y C -0.039 175.942 175.900 0.135 0.000 0.979 147 Y CA -0.989 57.172 58.100 0.102 0.000 1.080 147 Y CB 1.003 39.403 38.460 -0.099 0.000 1.190 147 Y HN 0.602 nan 8.280 nan 0.000 0.446 148 K N 3.846 124.147 120.400 -0.166 0.000 2.466 148 K HA 0.240 4.559 4.320 -0.001 0.000 0.278 148 K C 0.945 177.658 176.600 0.188 0.000 1.048 148 K CA 1.711 57.984 56.287 -0.023 0.000 1.088 148 K CB -0.330 32.081 32.500 -0.148 0.000 0.884 148 K HN 1.114 nan 8.250 nan 0.000 0.478 149 G N 3.169 112.057 108.800 0.146 0.000 2.175 149 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.244 149 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.244 149 G C -0.323 174.548 174.900 -0.049 0.000 0.982 149 G CA -0.109 45.028 45.100 0.061 0.000 0.641 149 G HN 0.777 nan 8.290 nan 0.000 0.527 150 H N 0.421 119.583 119.070 0.154 0.000 2.622 150 H HA 0.398 4.954 4.556 -0.001 0.000 0.363 150 H C -0.776 174.665 175.328 0.189 0.000 1.151 150 H CA -0.833 55.316 56.048 0.169 0.000 1.184 150 H CB 1.711 31.573 29.762 0.167 0.000 1.643 150 H HN 0.139 nan 8.280 nan 0.000 0.531 151 D N 0.718 121.281 120.400 0.272 0.000 2.382 151 D HA 0.079 4.718 4.640 -0.001 0.000 0.240 151 D C -0.187 176.262 176.300 0.249 0.000 1.146 151 D CA 0.306 54.438 54.000 0.220 0.000 0.897 151 D CB 0.847 41.766 40.800 0.199 0.000 1.197 151 D HN 0.273 nan 8.370 nan 0.000 0.432 152 S N -0.014 115.781 115.700 0.158 0.000 2.406 152 S HA 0.127 4.596 4.470 -0.001 0.000 0.224 152 S C 1.312 175.957 174.600 0.075 0.000 1.426 152 S CA -0.601 57.644 58.200 0.075 0.000 1.179 152 S CB 0.638 63.861 63.200 0.038 0.000 1.042 152 S HN 0.514 nan 8.310 nan 0.000 0.479 153 T N 0.276 114.900 114.554 0.118 0.000 2.904 153 T HA 0.018 4.367 4.350 -0.001 0.000 0.267 153 T C 1.121 175.858 174.700 0.062 0.000 1.059 153 T CA 0.444 62.609 62.100 0.108 0.000 1.137 153 T CB -0.660 68.316 68.868 0.180 0.000 0.879 153 T HN 0.605 nan 8.240 nan 0.000 0.467 154 L N 0.338 121.601 121.223 0.067 0.000 4.367 154 L HA -0.232 4.108 4.340 -0.001 0.000 0.424 154 L C 1.422 178.328 176.870 0.060 0.000 1.152 154 L CA 0.375 55.244 54.840 0.048 0.000 0.974 154 L CB -2.627 39.440 42.059 0.014 0.000 2.012 154 L HN 0.722 nan 8.230 nan 0.000 0.922 155 G N -0.439 108.425 108.800 0.106 0.000 2.148 155 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.254 155 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.254 155 G C 0.048 174.942 174.900 -0.010 0.000 0.981 155 G CA 0.531 45.678 45.100 0.078 0.000 0.670 155 G HN 0.331 nan 8.290 nan 0.000 0.528 156 L N 0.683 121.874 121.223 -0.053 0.000 2.307 156 L HA 0.557 4.896 4.340 -0.001 0.000 0.284 156 L C 1.789 178.609 176.870 -0.082 0.000 1.023 156 L CA 0.088 54.850 54.840 -0.131 0.000 0.810 156 L CB 1.665 43.592 42.059 -0.220 0.000 1.231 156 L HN 0.143 nan 8.230 nan 0.000 0.423 157 S N 3.501 119.153 115.700 -0.080 0.000 2.383 157 S HA -0.175 4.294 4.470 -0.001 0.000 0.229 157 S C 1.743 176.311 174.600 -0.053 0.000 1.030 157 S CA 1.901 60.067 58.200 -0.057 0.000 1.002 157 S CB -0.261 62.906 63.200 -0.055 0.000 0.829 157 S HN 0.651 nan 8.310 nan 0.000 0.467 158 L N -0.084 121.096 121.223 -0.072 0.000 2.265 158 L HA 0.057 4.397 4.340 -0.001 0.000 0.215 158 L C 1.230 178.084 176.870 -0.026 0.000 1.117 158 L CA 1.633 56.442 54.840 -0.052 0.000 0.782 158 L CB -0.585 41.436 42.059 -0.064 0.000 0.914 158 L HN 0.165 nan 8.230 nan 0.000 0.441 159 N N 0.127 118.815 118.700 -0.021 0.000 2.280 159 N HA 0.036 4.775 4.740 -0.001 0.000 0.192 159 N C 0.166 175.694 175.510 0.029 0.000 1.109 159 N CA 0.173 53.228 53.050 0.010 0.000 0.855 159 N CB 0.077 38.575 38.487 0.018 0.000 0.974 159 N HN 0.468 nan 8.380 nan 0.000 0.482 160 E N 0.467 120.675 120.200 0.014 0.000 2.338 160 E HA 0.264 4.614 4.350 -0.001 0.000 0.272 160 E C 0.585 177.201 176.600 0.026 0.000 1.029 160 E CA 0.076 56.492 56.400 0.026 0.000 0.872 160 E CB 0.607 30.305 29.700 -0.004 0.000 1.015 160 E HN 0.391 nan 8.360 nan 0.000 0.417 161 G N 4.617 113.442 108.800 0.041 0.000 2.136 161 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.242 161 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.242 161 G C 0.235 175.153 174.900 0.030 0.000 0.989 161 G CA 0.357 45.476 45.100 0.031 0.000 0.682 161 G HN 0.400 nan 8.290 nan 0.000 0.522 162 M N 1.250 120.875 119.600 0.041 0.000 2.854 162 M HA 0.263 4.742 4.480 -0.001 0.000 0.203 162 M C -2.471 173.863 176.300 0.057 0.000 1.069 162 M CA -1.867 53.456 55.300 0.039 0.000 0.803 162 M CB 0.687 33.306 32.600 0.033 0.000 1.380 162 M HN 0.053 nan 8.290 nan 0.000 0.494 163 P HA 0.074 nan 4.420 nan 0.000 0.271 163 P C 0.196 177.541 177.300 0.075 0.000 1.218 163 P CA 0.119 63.263 63.100 0.073 0.000 0.780 163 P CB 0.811 32.534 31.700 0.038 0.000 0.901 164 S N 0.830 116.597 115.700 0.112 0.000 2.562 164 S HA -0.021 4.448 4.470 -0.001 0.000 0.281 164 S C 1.231 175.867 174.600 0.060 0.000 1.333 164 S CA -0.324 57.932 58.200 0.093 0.000 1.052 164 S CB -0.048 63.231 63.200 0.131 0.000 0.884 164 S HN 0.538 nan 8.310 nan 0.000 0.506 165 E N 1.998 122.218 120.200 0.034 0.000 2.285 165 E HA 0.006 4.355 4.350 -0.001 0.000 0.194 165 E C 0.141 176.739 176.600 -0.003 0.000 0.997 165 E CA 0.535 56.943 56.400 0.014 0.000 0.845 165 E CB 0.163 29.867 29.700 0.007 0.000 0.782 165 E HN 0.711 nan 8.360 nan 0.000 0.491 166 S N -0.303 115.395 115.700 -0.003 0.000 2.588 166 S HA 0.305 4.774 4.470 -0.001 0.000 0.269 166 S C -1.149 173.425 174.600 -0.043 0.000 1.157 166 S CA -1.151 57.027 58.200 -0.037 0.000 0.824 166 S CB 1.488 64.670 63.200 -0.029 0.000 1.126 166 S HN -0.111 nan 8.310 nan 0.000 0.464 167 D N 1.610 121.945 120.400 -0.108 0.000 2.382 167 D HA 0.354 4.994 4.640 -0.001 0.000 0.245 167 D C 1.023 177.321 176.300 -0.003 0.000 1.120 167 D CA -0.332 53.605 54.000 -0.105 0.000 0.890 167 D CB 0.567 41.249 40.800 -0.197 0.000 1.201 167 D HN 0.897 nan 8.370 nan 0.000 0.433 168 C N 0.250 119.591 119.300 0.069 0.000 2.758 168 C HA 0.130 4.589 4.460 -0.001 0.000 0.371 168 C C 2.159 177.195 174.990 0.077 0.000 1.342 168 C CA -0.879 58.195 59.018 0.093 0.000 2.257 168 C CB -0.092 27.742 27.740 0.158 0.000 2.621 168 C HN 0.487 nan 8.230 nan 0.000 0.730 169 V N 2.356 122.317 119.914 0.078 0.000 2.343 169 V HA -0.188 3.931 4.120 -0.001 0.000 0.247 169 V C 2.609 178.739 176.094 0.060 0.000 1.051 169 V CA 2.528 64.862 62.300 0.058 0.000 1.036 169 V CB -0.885 30.977 31.823 0.065 0.000 0.654 169 V HN 0.998 nan 8.190 nan 0.000 0.451 170 V N -2.250 117.728 119.914 0.105 0.000 2.427 170 V HA -0.141 3.978 4.120 -0.001 0.000 0.248 170 V C 2.213 178.329 176.094 0.037 0.000 1.051 170 V CA 1.810 64.159 62.300 0.081 0.000 1.048 170 V CB -0.832 31.069 31.823 0.131 0.000 0.666 170 V HN 0.286 nan 8.190 nan 0.000 0.456 171 V N 0.628 120.584 119.914 0.071 0.000 2.295 171 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 171 V C 2.899 178.990 176.094 -0.005 0.000 1.049 171 V CA 2.584 64.911 62.300 0.044 0.000 1.024 171 V CB -0.895 30.992 31.823 0.106 0.000 0.648 171 V HN 0.586 nan 8.190 nan 0.000 0.447 172 Q N -0.566 119.222 119.800 -0.020 0.000 2.112 172 Q HA -0.204 4.136 4.340 -0.001 0.000 0.206 172 Q C 2.301 178.257 176.000 -0.073 0.000 0.987 172 Q CA 2.065 57.834 55.803 -0.057 0.000 0.858 172 Q CB -0.366 28.342 28.738 -0.051 0.000 0.905 172 Q HN 0.571 nan 8.270 nan 0.000 0.420 173 V N 0.902 120.788 119.914 -0.047 0.000 2.379 173 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 173 V C 2.221 178.288 176.094 -0.044 0.000 1.044 173 V CA 1.307 63.578 62.300 -0.048 0.000 1.036 173 V CB -0.540 31.269 31.823 -0.023 0.000 0.664 173 V HN 0.332 nan 8.190 nan 0.000 0.453 174 L N -0.235 120.966 121.223 -0.038 0.000 2.013 174 L HA -0.273 4.067 4.340 -0.001 0.000 0.212 174 L C 2.669 179.521 176.870 -0.031 0.000 1.073 174 L CA 1.975 56.793 54.840 -0.037 0.000 0.753 174 L CB -0.584 41.450 42.059 -0.042 0.000 0.890 174 L HN 0.312 nan 8.230 nan 0.000 0.432 175 K N -0.202 120.176 120.400 -0.036 0.000 2.097 175 K HA -0.143 4.177 4.320 -0.001 0.000 0.205 175 K C 2.042 178.607 176.600 -0.058 0.000 1.050 175 K CA 1.071 57.334 56.287 -0.039 0.000 0.938 175 K CB -0.179 32.293 32.500 -0.047 0.000 0.718 175 K HN 0.263 nan 8.250 nan 0.000 0.442 176 L N 0.992 122.150 121.223 -0.108 0.000 2.201 176 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 176 L C 1.971 178.815 176.870 -0.043 0.000 1.105 176 L CA 0.821 55.559 54.840 -0.170 0.000 0.775 176 L CB -0.099 41.680 42.059 -0.466 0.000 0.913 176 L HN 0.167 nan 8.230 nan 0.000 0.440 177 Q N -0.142 119.656 119.800 -0.003 0.000 2.322 177 Q HA 0.111 4.450 4.340 -0.001 0.000 0.203 177 Q C 1.377 177.407 176.000 0.049 0.000 0.923 177 Q CA 0.738 56.562 55.803 0.034 0.000 0.949 177 Q CB 0.727 29.476 28.738 0.018 0.000 1.039 177 Q HN 0.558 nan 8.270 nan 0.000 0.496 178 G N 0.557 109.387 108.800 0.050 0.000 2.157 178 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.248 178 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.248 178 G C 0.363 175.276 174.900 0.022 0.000 0.979 178 G CA 0.163 45.323 45.100 0.100 0.000 0.650 178 G HN 0.567 nan 8.290 nan 0.000 0.529 179 A N -0.544 122.272 122.820 -0.006 0.000 2.332 179 A HA 0.716 5.035 4.320 -0.001 0.000 0.258 179 A C 0.409 177.979 177.584 -0.023 0.000 1.087 179 A CA 0.346 52.365 52.037 -0.031 0.000 0.802 179 A CB 1.222 20.203 19.000 -0.032 0.000 1.042 179 A HN 1.157 nan 8.150 nan 0.000 0.489 180 V N 3.483 123.390 119.914 -0.011 0.000 2.250 180 V HA 0.253 4.372 4.120 -0.001 0.000 0.268 180 V C -2.487 173.692 176.094 0.141 0.000 1.043 180 V CA -1.424 60.898 62.300 0.036 0.000 0.814 180 V CB 0.709 32.534 31.823 0.004 0.000 1.072 180 V HN 0.711 nan 8.190 nan 0.000 0.451 181 P HA 0.152 nan 4.420 nan 0.000 0.267 181 P C 0.062 177.403 177.300 0.069 0.000 1.205 181 P CA 0.140 63.280 63.100 0.067 0.000 0.765 181 P CB 0.353 32.072 31.700 0.032 0.000 0.828 182 F N 2.758 122.620 119.950 -0.147 0.000 2.819 182 F HA 0.361 4.887 4.527 -0.001 0.000 0.325 182 F C -0.295 175.417 175.800 -0.148 0.000 1.041 182 F CA -0.352 57.592 58.000 -0.094 0.000 1.184 182 F CB 0.043 39.070 39.000 0.045 0.000 1.019 182 F HN 0.093 nan 8.300 nan 0.000 0.590 183 V N -1.196 118.256 119.914 -0.770 0.000 2.971 183 V HA 0.540 4.659 4.120 -0.001 0.000 0.309 183 V C -1.241 174.600 176.094 -0.422 0.000 1.130 183 V CA -0.957 60.994 62.300 -0.582 0.000 0.964 183 V CB 1.292 32.729 31.823 -0.643 0.000 1.029 183 V HN 0.297 nan 8.190 nan 0.000 0.427 184 H N 1.676 120.542 119.070 -0.341 0.000 2.502 184 H HA 0.691 5.246 4.556 -0.002 0.000 0.327 184 H C 0.184 175.377 175.328 -0.225 0.000 1.099 184 H CA 0.048 55.949 56.048 -0.244 0.000 1.323 184 H CB 1.799 31.445 29.762 -0.193 0.000 1.450 184 H HN 1.021 nan 8.280 nan 0.000 0.502 185 T N 0.694 115.220 114.554 -0.047 0.000 2.918 185 T HA 0.172 4.522 4.350 -0.001 0.000 0.286 185 T C 0.269 174.915 174.700 -0.089 0.000 1.026 185 T CA -1.196 60.851 62.100 -0.089 0.000 1.031 185 T CB 1.596 70.422 68.868 -0.071 0.000 1.046 185 T HN 0.433 nan 8.240 nan 0.000 0.479 186 N N 0.428 119.075 118.700 -0.088 0.000 2.416 186 N HA 0.381 5.120 4.740 -0.001 0.000 0.246 186 N C -0.381 175.132 175.510 0.004 0.000 1.260 186 N CA -0.088 52.931 53.050 -0.052 0.000 0.897 186 N CB 0.497 38.973 38.487 -0.018 0.000 1.110 186 N HN 0.824 nan 8.380 nan 0.000 0.439 187 V N -0.458 119.479 119.914 0.039 0.000 3.114 187 V HA 0.753 4.873 4.120 -0.001 0.000 0.308 187 V C -2.703 173.441 176.094 0.084 0.000 1.168 187 V CA -2.037 60.297 62.300 0.058 0.000 1.015 187 V CB 2.014 33.869 31.823 0.052 0.000 1.050 187 V HN 0.607 nan 8.190 nan 0.000 0.433 188 P HA 0.136 nan 4.420 nan 0.000 0.272 188 P C -0.552 176.828 177.300 0.133 0.000 1.223 188 P CA -0.076 63.082 63.100 0.097 0.000 0.784 188 P CB 0.601 32.347 31.700 0.077 0.000 0.923 189 Q N 1.763 121.652 119.800 0.148 0.000 2.308 189 Q HA -0.015 4.324 4.340 -0.001 0.000 0.313 189 Q C 0.833 176.965 176.000 0.219 0.000 1.075 189 Q CA 1.550 57.447 55.803 0.156 0.000 0.995 189 Q CB -0.136 28.720 28.738 0.196 0.000 1.107 189 Q HN 0.738 nan 8.270 nan 0.000 0.380 190 S N 3.105 118.874 115.700 0.115 0.000 2.524 190 S HA -0.359 4.110 4.470 -0.001 0.000 0.254 190 S C 0.743 175.506 174.600 0.272 0.000 1.258 190 S CA 1.580 59.884 58.200 0.174 0.000 1.448 190 S CB -1.554 61.877 63.200 0.384 0.000 1.806 190 S HN 1.018 nan 8.310 nan 0.000 0.630 191 M N -2.559 117.181 119.600 0.234 0.000 2.920 191 M HA -0.225 4.254 4.480 -0.001 0.000 0.186 191 M C 0.177 176.640 176.300 0.272 0.000 0.634 191 M CA 1.666 57.089 55.300 0.204 0.000 0.709 191 M CB -1.942 30.743 32.600 0.141 0.000 2.552 191 M HN 0.605 nan 8.290 nan 0.000 0.289 192 F N 2.248 122.325 119.950 0.212 0.000 2.541 192 F HA 0.522 5.049 4.527 -0.001 0.000 0.351 192 F C 0.302 176.196 175.800 0.156 0.000 1.209 192 F CA 0.551 58.647 58.000 0.160 0.000 1.277 192 F CB 0.534 39.595 39.000 0.102 0.000 1.632 192 F HN 0.061 nan 8.300 nan 0.000 0.619 193 S N 3.535 119.163 115.700 -0.119 0.000 2.608 193 S HA 0.139 4.609 4.470 -0.001 0.000 0.285 193 S C -0.624 173.933 174.600 -0.072 0.000 1.108 193 S CA -0.675 57.453 58.200 -0.120 0.000 0.858 193 S CB 0.188 63.377 63.200 -0.018 0.000 1.077 193 S HN 0.538 nan 8.310 nan 0.000 0.450 194 Y N 1.514 121.638 120.300 -0.293 0.000 2.571 194 Y HA 0.574 5.123 4.550 -0.001 0.000 0.275 194 Y C 0.327 176.087 175.900 -0.233 0.000 1.179 194 Y CA -0.572 57.308 58.100 -0.366 0.000 1.242 194 Y CB 0.035 37.916 38.460 -0.965 0.000 1.126 194 Y HN 0.507 nan 8.280 nan 0.000 0.524 195 D N 0.053 120.287 120.400 -0.277 0.000 2.530 195 D HA 0.299 4.938 4.640 -0.001 0.000 0.282 195 D C -0.706 175.569 176.300 -0.042 0.000 1.204 195 D CA -0.770 53.137 54.000 -0.156 0.000 1.093 195 D CB 1.958 42.650 40.800 -0.180 0.000 1.154 195 D HN 0.176 nan 8.370 nan 0.000 0.593 196 C N 1.195 120.491 119.300 -0.008 0.000 3.173 196 C HA 0.527 4.986 4.460 -0.001 0.000 0.209 196 C C -0.928 174.085 174.990 0.039 0.000 1.229 196 C CA -0.254 58.781 59.018 0.028 0.000 1.109 196 C CB -1.472 26.292 27.740 0.040 0.000 1.833 196 C HN 0.360 nan 8.230 nan 0.000 0.626 197 S N 2.606 118.332 115.700 0.043 0.000 2.549 197 S HA 0.873 5.342 4.470 -0.001 0.000 0.280 197 S C -0.892 173.755 174.600 0.078 0.000 1.109 197 S CA -0.334 57.899 58.200 0.054 0.000 0.905 197 S CB 1.311 64.529 63.200 0.029 0.000 1.081 197 S HN 0.905 nan 8.310 nan 0.000 0.477 198 N N 2.040 120.794 118.700 0.090 0.000 2.416 198 N HA 0.576 5.315 4.740 -0.001 0.000 0.276 198 N C -2.850 172.691 175.510 0.051 0.000 1.261 198 N CA -1.593 51.512 53.050 0.092 0.000 0.790 198 N CB 1.265 39.824 38.487 0.120 0.000 1.554 198 N HN 0.182 nan 8.380 nan 0.000 0.481 199 P HA 0.017 nan 4.420 nan 0.000 0.230 199 P C 0.566 177.822 177.300 -0.074 0.000 1.158 199 P CA 0.766 63.858 63.100 -0.012 0.000 0.769 199 P CB 0.260 32.006 31.700 0.077 0.000 0.807 200 L N -2.841 118.303 121.223 -0.132 0.000 2.121 200 L HA 0.055 4.394 4.340 -0.001 0.000 0.200 200 L C 1.704 178.289 176.870 -0.476 0.000 1.077 200 L CA 1.352 55.958 54.840 -0.391 0.000 0.766 200 L CB -0.658 41.018 42.059 -0.638 0.000 0.931 200 L HN -0.098 nan 8.230 nan 0.000 0.452 201 F N -0.509 119.456 119.950 0.024 0.000 2.704 201 F HA 0.411 4.936 4.527 -0.003 0.000 0.304 201 F C 1.430 177.234 175.800 0.007 0.000 1.094 201 F CA 0.281 58.293 58.000 0.020 0.000 1.275 201 F CB 0.305 39.322 39.000 0.028 0.000 1.073 201 F HN 0.190 nan 8.300 nan 0.000 0.586 202 G N 0.907 109.782 108.800 0.126 0.000 2.527 202 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.227 202 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.227 202 G C -0.670 174.275 174.900 0.076 0.000 1.291 202 G CA -0.553 44.588 45.100 0.068 0.000 0.904 202 G HN 0.300 nan 8.290 nan 0.000 0.577 203 Q N 0.135 119.963 119.800 0.047 0.000 2.271 203 Q HA 0.614 4.953 4.340 -0.001 0.000 0.258 203 Q C -0.276 175.745 176.000 0.034 0.000 0.936 203 Q CA -0.284 55.540 55.803 0.035 0.000 0.909 203 Q CB 0.980 29.727 28.738 0.015 0.000 1.253 203 Q HN 0.634 nan 8.270 nan 0.000 0.440 204 T N 4.482 119.058 114.554 0.037 0.000 2.882 204 T HA 0.455 4.804 4.350 -0.001 0.000 0.287 204 T C -0.189 174.533 174.700 0.036 0.000 0.992 204 T CA -0.260 61.859 62.100 0.033 0.000 1.076 204 T CB 0.656 69.546 68.868 0.036 0.000 0.961 204 T HN 0.569 nan 8.240 nan 0.000 0.490 205 M N 2.707 122.328 119.600 0.035 0.000 2.508 205 M HA 0.355 4.835 4.480 -0.001 0.000 0.327 205 M C 0.415 176.759 176.300 0.073 0.000 1.160 205 M CA -0.937 54.389 55.300 0.044 0.000 0.980 205 M CB 1.337 33.953 32.600 0.025 0.000 1.693 205 M HN 0.450 nan 8.290 nan 0.000 0.452 206 N N 3.477 122.237 118.700 0.099 0.000 2.483 206 N HA 0.089 4.829 4.740 -0.001 0.000 0.264 206 N C -1.848 173.754 175.510 0.154 0.000 1.197 206 N CA -0.984 52.161 53.050 0.159 0.000 0.927 206 N CB 1.107 39.697 38.487 0.172 0.000 1.065 206 N HN 0.379 nan 8.380 nan 0.000 0.461 207 P HA -0.063 nan 4.420 nan 0.000 0.226 207 P C 0.687 177.998 177.300 0.019 0.000 1.153 207 P CA 1.089 64.223 63.100 0.057 0.000 0.777 207 P CB 0.018 31.722 31.700 0.007 0.000 0.794 208 W N 0.847 122.156 121.300 0.014 0.000 2.576 208 W HA 0.213 4.872 4.660 -0.002 0.000 0.270 208 W C 1.077 177.593 176.519 -0.005 0.000 1.255 208 W CA 0.467 57.816 57.345 0.006 0.000 1.314 208 W CB 0.209 29.674 29.460 0.008 0.000 1.101 208 W HN -0.128 nan 8.180 nan 0.000 0.595 209 K N -0.097 120.434 120.400 0.218 0.000 2.587 209 K HA 0.094 4.413 4.320 -0.001 0.000 0.256 209 K C 0.780 177.423 176.600 0.071 0.000 0.974 209 K CA 0.228 56.584 56.287 0.116 0.000 0.855 209 K CB 1.156 33.716 32.500 0.100 0.000 1.292 209 K HN -0.132 nan 8.250 nan 0.000 0.444 210 S N 0.990 116.714 115.700 0.040 0.000 2.442 210 S HA -0.150 4.319 4.470 -0.001 0.000 0.236 210 S C 1.383 175.992 174.600 0.015 0.000 1.007 210 S CA 1.455 59.669 58.200 0.024 0.000 0.965 210 S CB -0.254 62.950 63.200 0.008 0.000 0.773 210 S HN 0.626 nan 8.310 nan 0.000 0.504 211 S N 0.378 116.084 115.700 0.009 0.000 2.603 211 S HA 0.248 4.717 4.470 -0.001 0.000 0.220 211 S C 0.509 175.102 174.600 -0.012 0.000 0.967 211 S CA -0.283 57.914 58.200 -0.005 0.000 0.920 211 S CB -0.137 63.056 63.200 -0.012 0.000 0.773 211 S HN 0.202 nan 8.310 nan 0.000 0.529 212 K N 2.002 122.402 120.400 0.001 0.000 2.118 212 K HA 0.445 4.764 4.320 -0.001 0.000 0.254 212 K C -0.144 176.470 176.600 0.023 0.000 0.961 212 K CA -0.369 55.911 56.287 -0.013 0.000 0.876 212 K CB 1.646 34.133 32.500 -0.021 0.000 1.077 212 K HN 0.184 nan 8.250 nan 0.000 0.440 213 S N 2.255 117.970 115.700 0.025 0.000 2.564 213 S HA 0.164 4.633 4.470 -0.001 0.000 0.278 213 S C -1.484 173.244 174.600 0.213 0.000 1.333 213 S CA -1.221 57.036 58.200 0.096 0.000 1.048 213 S CB 0.469 63.731 63.200 0.103 0.000 0.900 213 S HN 0.328 nan 8.310 nan 0.000 0.505 214 P HA 0.196 nan 4.420 nan 0.000 0.245 214 P C 0.823 178.287 177.300 0.275 0.000 1.212 214 P CA 0.757 63.999 63.100 0.236 0.000 0.774 214 P CB -0.710 31.075 31.700 0.143 0.000 0.999 215 G N -0.825 108.156 108.800 0.302 0.000 2.760 215 G HA2 0.252 4.211 3.960 -0.001 0.000 0.246 215 G HA3 0.252 4.211 3.960 -0.001 0.000 0.246 215 G C -0.290 174.616 174.900 0.011 0.000 1.359 215 G CA -0.591 44.505 45.100 -0.007 0.000 0.861 215 G HN 0.636 nan 8.290 nan 0.000 0.541 216 G N -2.705 106.098 108.800 0.004 0.000 2.316 216 G HA2 0.698 4.657 3.960 -0.001 0.000 0.296 216 G HA3 0.698 4.657 3.960 -0.001 0.000 0.296 216 G C 0.461 175.431 174.900 0.118 0.000 1.399 216 G CA 0.865 45.999 45.100 0.057 0.000 0.833 216 G HN 2.190 nan 8.290 nan 0.000 0.565 217 S N -1.635 114.126 115.700 0.103 0.000 2.526 217 S HA 0.195 4.664 4.470 -0.001 0.000 0.220 217 S C 1.211 175.853 174.600 0.069 0.000 1.017 217 S CA 0.868 59.115 58.200 0.078 0.000 0.930 217 S CB 0.514 63.768 63.200 0.090 0.000 0.856 217 S HN 0.787 nan 8.310 nan 0.000 0.497 218 S N 2.262 118.006 115.700 0.073 0.000 3.227 218 S HA 0.331 4.800 4.470 -0.001 0.000 0.249 218 S C 1.453 176.085 174.600 0.054 0.000 1.322 218 S CA 0.056 58.296 58.200 0.067 0.000 1.253 218 S CB -0.268 62.977 63.200 0.075 0.000 1.076 218 S HN 0.683 nan 8.310 nan 0.000 0.471 219 G N 1.885 110.716 108.800 0.051 0.000 2.408 219 G HA2 0.027 3.986 3.960 -0.001 0.000 0.215 219 G HA3 0.027 3.986 3.960 -0.001 0.000 0.215 219 G C 1.362 176.291 174.900 0.048 0.000 1.156 219 G CA 0.402 45.535 45.100 0.053 0.000 0.793 219 G HN 0.593 nan 8.290 nan 0.000 0.535 220 G N 0.683 109.501 108.800 0.030 0.000 2.422 220 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.218 220 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.218 220 G C 1.632 176.536 174.900 0.006 0.000 1.146 220 G CA 1.011 46.117 45.100 0.009 0.000 0.769 220 G HN 0.328 nan 8.290 nan 0.000 0.547 221 E N 0.752 120.959 120.200 0.012 0.000 2.051 221 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 221 E C 2.791 179.410 176.600 0.031 0.000 0.991 221 E CA 1.158 57.563 56.400 0.008 0.000 0.799 221 E CB -0.915 28.795 29.700 0.017 0.000 0.748 221 E HN 0.350 nan 8.360 nan 0.000 0.449 222 G N 1.149 109.980 108.800 0.051 0.000 2.418 222 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.217 222 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.217 222 G C 1.757 176.718 174.900 0.102 0.000 1.158 222 G CA 1.447 46.595 45.100 0.079 0.000 0.771 222 G HN 0.397 nan 8.290 nan 0.000 0.545 223 A N 0.279 123.152 122.820 0.089 0.000 1.877 223 A HA 0.079 4.399 4.320 -0.001 0.000 0.216 223 A C 2.361 179.983 177.584 0.063 0.000 1.186 223 A CA 1.694 53.783 52.037 0.088 0.000 0.620 223 A CB -0.466 18.573 19.000 0.065 0.000 0.822 223 A HN 0.406 nan 8.150 nan 0.000 0.443 224 L N -0.106 121.143 121.223 0.043 0.000 2.027 224 L HA -0.044 4.295 4.340 -0.001 0.000 0.206 224 L C 2.249 179.158 176.870 0.066 0.000 1.074 224 L CA 1.717 56.582 54.840 0.041 0.000 0.745 224 L CB -0.440 41.625 42.059 0.011 0.000 0.898 224 L HN 0.432 nan 8.230 nan 0.000 0.433 225 I N -0.765 119.842 120.570 0.063 0.000 2.252 225 I HA -0.168 4.001 4.170 -0.001 0.000 0.245 225 I C 2.422 178.593 176.117 0.090 0.000 1.102 225 I CA 1.161 62.504 61.300 0.072 0.000 1.385 225 I CB -1.017 37.014 38.000 0.050 0.000 1.064 225 I HN 0.394 nan 8.210 nan 0.000 0.414 226 G N 0.387 109.251 108.800 0.107 0.000 2.448 226 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.219 226 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.219 226 G C 1.649 176.587 174.900 0.063 0.000 1.127 226 G CA 1.124 46.311 45.100 0.144 0.000 0.766 226 G HN 0.524 nan 8.290 nan 0.000 0.552 227 S N -1.305 114.412 115.700 0.029 0.000 2.556 227 S HA 0.421 4.890 4.470 -0.001 0.000 0.216 227 S C 1.643 176.239 174.600 -0.007 0.000 0.970 227 S CA 0.870 59.050 58.200 -0.033 0.000 0.912 227 S CB 0.352 63.532 63.200 -0.034 0.000 0.790 227 S HN 1.475 nan 8.310 nan 0.000 0.504 228 G N 0.349 109.179 108.800 0.050 0.000 2.159 228 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.227 228 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.227 228 G C 0.788 175.795 174.900 0.178 0.000 0.986 228 G CA -0.053 45.100 45.100 0.090 0.000 0.651 228 G HN 0.921 nan 8.290 nan 0.000 0.523 229 G N -0.583 108.323 108.800 0.176 0.000 2.813 229 G HA2 0.445 4.405 3.960 -0.001 0.000 0.209 229 G HA3 0.445 4.405 3.960 -0.001 0.000 0.209 229 G C 0.514 175.648 174.900 0.389 0.000 1.150 229 G CA 1.566 46.815 45.100 0.249 0.000 0.785 229 G HN 1.574 nan 8.290 nan 0.000 0.535 230 S N -0.603 115.257 115.700 0.267 0.000 2.533 230 S HA 0.541 5.011 4.470 -0.001 0.000 0.271 230 S C -2.343 172.199 174.600 -0.096 0.000 1.143 230 S CA -0.984 57.255 58.200 0.065 0.000 0.891 230 S CB 2.458 65.742 63.200 0.141 0.000 1.105 230 S HN -0.102 nan 8.310 nan 0.000 0.468 231 P HA 0.251 nan 4.420 nan 0.000 0.235 231 P C -0.217 177.013 177.300 -0.118 0.000 1.177 231 P CA 0.218 63.184 63.100 -0.224 0.000 0.785 231 P CB 0.077 31.556 31.700 -0.368 0.000 0.885 232 L N -1.021 120.135 121.223 -0.112 0.000 2.611 232 L HA 0.759 5.098 4.340 -0.001 0.000 0.260 232 L C -1.086 175.738 176.870 -0.077 0.000 0.924 232 L CA -0.534 54.256 54.840 -0.084 0.000 0.901 232 L CB 1.798 43.798 42.059 -0.097 0.000 1.369 232 L HN -0.016 nan 8.230 nan 0.000 0.415 233 G N 3.701 112.455 108.800 -0.077 0.000 2.680 233 G HA2 0.706 4.665 3.960 -0.001 0.000 0.290 233 G HA3 0.706 4.665 3.960 -0.001 0.000 0.290 233 G C -2.035 172.789 174.900 -0.126 0.000 1.355 233 G CA -0.755 44.283 45.100 -0.102 0.000 0.903 233 G HN 0.614 nan 8.290 nan 0.000 0.474 234 L N 0.559 121.659 121.223 -0.205 0.000 2.362 234 L HA 0.736 5.076 4.340 -0.001 0.000 0.275 234 L C 0.644 177.504 176.870 -0.017 0.000 0.998 234 L CA -0.708 53.981 54.840 -0.252 0.000 0.820 234 L CB 2.032 43.637 42.059 -0.756 0.000 1.270 234 L HN 0.765 nan 8.230 nan 0.000 0.415 235 G N 0.725 109.629 108.800 0.173 0.000 3.013 235 G HA2 0.796 4.755 3.960 -0.001 0.000 0.278 235 G HA3 0.796 4.755 3.960 -0.001 0.000 0.278 235 G C -0.872 174.219 174.900 0.318 0.000 1.353 235 G CA -0.321 44.948 45.100 0.282 0.000 1.043 235 G HN 0.514 nan 8.290 nan 0.000 0.523 236 T N -2.348 112.308 114.554 0.170 0.000 2.883 236 T HA 0.676 5.025 4.350 -0.001 0.000 0.296 236 T C -1.960 172.777 174.700 0.062 0.000 1.117 236 T CA -0.757 61.395 62.100 0.086 0.000 1.006 236 T CB 2.714 71.570 68.868 -0.020 0.000 1.191 236 T HN 0.505 nan 8.240 nan 0.000 0.508 237 D N 0.439 120.867 120.400 0.046 0.000 2.738 237 D HA 0.341 4.980 4.640 -0.001 0.000 0.218 237 D C -0.366 175.956 176.300 0.036 0.000 1.345 237 D CA -0.508 53.516 54.000 0.039 0.000 0.943 237 D CB 2.046 42.857 40.800 0.019 0.000 1.514 237 D HN 0.633 nan 8.370 nan 0.000 0.585 238 I N 1.668 122.271 120.570 0.055 0.000 4.471 238 I HA 0.288 4.457 4.170 -0.001 0.000 0.326 238 I C 1.174 177.326 176.117 0.058 0.000 1.300 238 I CA 0.206 61.541 61.300 0.057 0.000 1.237 238 I CB 0.888 38.940 38.000 0.088 0.000 1.195 238 I HN 0.475 nan 8.210 nan 0.000 0.427 239 G N -0.659 108.176 108.800 0.059 0.000 4.000 239 G HA2 0.388 4.347 3.960 -0.001 0.000 0.260 239 G HA3 0.388 4.347 3.960 -0.001 0.000 0.260 239 G C 0.755 175.674 174.900 0.033 0.000 1.047 239 G CA 0.507 45.634 45.100 0.045 0.000 0.860 239 G HN 0.392 nan 8.290 nan 0.000 0.464 240 G N -0.138 108.640 108.800 -0.037 0.000 2.559 240 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.202 240 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.202 240 G C 1.147 175.954 174.900 -0.154 0.000 0.992 240 G CA 0.604 45.495 45.100 -0.348 0.000 0.764 240 G HN 0.269 nan 8.290 nan 0.000 0.525 241 S N 0.009 115.755 115.700 0.076 0.000 2.500 241 S HA 0.098 4.568 4.470 -0.001 0.000 0.239 241 S C 2.121 176.756 174.600 0.059 0.000 0.989 241 S CA 1.127 59.404 58.200 0.128 0.000 0.951 241 S CB -0.100 63.166 63.200 0.110 0.000 0.759 241 S HN 0.530 nan 8.310 nan 0.000 0.523 242 I N 0.276 120.848 120.570 0.002 0.000 2.703 242 I HA 0.003 4.172 4.170 -0.001 0.000 0.259 242 I C 2.438 178.518 176.117 -0.062 0.000 1.151 242 I CA 0.642 61.937 61.300 -0.007 0.000 1.470 242 I CB 0.006 38.008 38.000 0.003 0.000 1.112 242 I HN 0.123 nan 8.210 nan 0.000 0.437 243 R N -0.066 120.338 120.500 -0.161 0.000 2.080 243 R HA 0.005 4.344 4.340 -0.001 0.000 0.222 243 R C 2.206 178.334 176.300 -0.288 0.000 1.107 243 R CA 1.111 57.068 56.100 -0.237 0.000 0.980 243 R CB -0.282 29.833 30.300 -0.309 0.000 0.879 243 R HN 0.108 nan 8.270 nan 0.000 0.439 244 F N 1.550 121.347 119.950 -0.255 0.000 2.069 244 F HA -0.135 4.391 4.527 -0.002 0.000 0.298 244 F C -0.556 174.859 175.800 -0.641 0.000 1.113 244 F CA 1.167 58.821 58.000 -0.577 0.000 1.214 244 F CB -1.624 37.010 39.000 -0.612 0.000 0.978 244 F HN 0.048 nan 8.300 nan 0.000 0.474 245 P HA -0.081 nan 4.420 nan 0.000 0.219 245 P C 1.553 178.864 177.300 0.017 0.000 1.150 245 P CA 1.641 64.709 63.100 -0.054 0.000 0.814 245 P CB -0.049 31.660 31.700 0.016 0.000 0.787 246 S N 0.420 116.116 115.700 -0.006 0.000 2.356 246 S HA -0.077 4.392 4.470 -0.001 0.000 0.223 246 S C 2.253 176.881 174.600 0.046 0.000 1.032 246 S CA 1.426 59.639 58.200 0.022 0.000 1.005 246 S CB -0.987 62.208 63.200 -0.007 0.000 0.867 246 S HN 0.196 nan 8.310 nan 0.000 0.449 247 A N 1.392 124.233 122.820 0.036 0.000 1.858 247 A HA -0.019 4.300 4.320 -0.001 0.000 0.216 247 A C 1.810 179.544 177.584 0.250 0.000 1.190 247 A CA 1.328 53.435 52.037 0.116 0.000 0.617 247 A CB -0.847 18.242 19.000 0.148 0.000 0.827 247 A HN 0.445 nan 8.150 nan 0.000 0.443 248 F N -0.351 119.615 119.950 0.027 0.000 2.234 248 F HA -0.110 4.417 4.527 -0.001 0.000 0.299 248 F C 2.304 178.066 175.800 -0.063 0.000 1.087 248 F CA 0.047 58.041 58.000 -0.011 0.000 1.340 248 F CB -1.214 37.823 39.000 0.061 0.000 1.031 248 F HN 0.234 nan 8.300 nan 0.000 0.500 249 C N -0.725 118.711 119.300 0.226 0.000 2.906 249 C HA 0.524 4.983 4.460 -0.001 0.000 0.274 249 C C 1.706 176.866 174.990 0.283 0.000 1.257 249 C CA 0.263 59.438 59.018 0.262 0.000 1.695 249 C CB -0.836 27.066 27.740 0.271 0.000 1.958 249 C HN 0.696 nan 8.230 nan 0.000 0.619 250 G N 2.138 111.000 108.800 0.103 0.000 2.212 250 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.255 250 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.255 250 G C -0.196 174.799 174.900 0.158 0.000 1.062 250 G CA 0.635 45.796 45.100 0.102 0.000 0.815 250 G HN 0.763 nan 8.290 nan 0.000 0.497 251 I N -3.931 116.708 120.570 0.114 0.000 3.294 251 I HA 0.854 5.023 4.170 -0.001 0.000 0.311 251 I C 0.275 176.419 176.117 0.045 0.000 1.111 251 I CA -1.704 59.648 61.300 0.087 0.000 0.976 251 I CB 1.797 39.852 38.000 0.090 0.000 1.260 251 I HN 0.043 nan 8.210 nan 0.000 0.474 252 C N 1.406 120.724 119.300 0.031 0.000 2.358 252 C HA 0.932 5.391 4.460 -0.001 0.000 0.342 252 C C 0.506 175.498 174.990 0.003 0.000 1.234 252 C CA -0.093 58.931 59.018 0.009 0.000 1.969 252 C CB 0.234 27.979 27.740 0.008 0.000 2.346 252 C HN 0.998 nan 8.230 nan 0.000 0.525 253 G N 1.498 110.292 108.800 -0.009 0.000 2.690 253 G HA2 0.662 4.622 3.960 -0.001 0.000 0.293 253 G HA3 0.662 4.622 3.960 -0.001 0.000 0.293 253 G C -2.137 172.755 174.900 -0.013 0.000 1.399 253 G CA -0.347 44.747 45.100 -0.010 0.000 0.890 253 G HN 0.644 nan 8.290 nan 0.000 0.485 254 L N 0.345 121.566 121.223 -0.003 0.000 2.409 254 L HA 0.694 5.033 4.340 -0.001 0.000 0.272 254 L C -0.390 176.487 176.870 0.013 0.000 0.980 254 L CA -0.890 53.954 54.840 0.006 0.000 0.826 254 L CB 2.028 44.097 42.059 0.017 0.000 1.268 254 L HN 0.464 nan 8.230 nan 0.000 0.407 255 K N 6.673 127.079 120.400 0.010 0.000 2.299 255 K HA 0.528 4.847 4.320 -0.001 0.000 0.268 255 K C -2.562 174.049 176.600 0.018 0.000 1.075 255 K CA -1.715 54.582 56.287 0.017 0.000 0.936 255 K CB 1.123 33.629 32.500 0.009 0.000 1.228 255 K HN 0.390 nan 8.250 nan 0.000 0.454 256 P HA 0.047 nan 4.420 nan 0.000 0.274 256 P C -0.766 176.503 177.300 -0.053 0.000 1.260 256 P CA -0.359 62.743 63.100 0.003 0.000 0.793 256 P CB 0.394 32.117 31.700 0.037 0.000 1.048 257 T N 0.612 115.075 114.554 -0.152 0.000 2.923 257 T HA 0.031 4.381 4.350 -0.001 0.000 0.304 257 T C 1.903 176.464 174.700 -0.231 0.000 1.044 257 T CA 0.822 62.725 62.100 -0.329 0.000 1.141 257 T CB -0.059 68.322 68.868 -0.813 0.000 1.023 257 T HN 0.601 nan 8.240 nan 0.000 0.533 258 G N 2.420 111.115 108.800 -0.176 0.000 2.505 258 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.220 258 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.220 258 G C 1.290 176.187 174.900 -0.005 0.000 1.145 258 G CA 0.642 45.703 45.100 -0.064 0.000 0.761 258 G HN 0.666 nan 8.290 nan 0.000 0.571 259 N N -0.645 118.052 118.700 -0.005 0.000 2.279 259 N HA 0.135 4.874 4.740 -0.001 0.000 0.226 259 N C 1.687 177.400 175.510 0.338 0.000 1.126 259 N CA -0.220 52.941 53.050 0.184 0.000 0.846 259 N CB 0.100 38.764 38.487 0.295 0.000 1.050 259 N HN 0.160 nan 8.380 nan 0.000 0.502 260 R N -0.378 120.259 120.500 0.228 0.000 2.115 260 R HA 0.239 4.578 4.340 -0.001 0.000 0.226 260 R C -0.116 176.364 176.300 0.300 0.000 1.100 260 R CA 1.144 57.464 56.100 0.366 0.000 0.980 260 R CB 0.124 30.565 30.300 0.235 0.000 0.875 260 R HN 0.182 nan 8.270 nan 0.000 0.445 261 L N -0.584 120.766 121.223 0.213 0.000 2.341 261 L HA 0.394 4.733 4.340 -0.001 0.000 0.267 261 L C -0.316 176.655 176.870 0.169 0.000 1.009 261 L CA -1.118 53.834 54.840 0.188 0.000 0.819 261 L CB 1.922 44.071 42.059 0.149 0.000 1.323 261 L HN -0.104 nan 8.230 nan 0.000 0.425 262 S N 0.495 116.290 115.700 0.158 0.000 2.510 262 S HA 0.145 4.614 4.470 -0.001 0.000 0.279 262 S C 0.594 175.269 174.600 0.125 0.000 1.284 262 S CA -0.275 58.008 58.200 0.139 0.000 1.059 262 S CB 0.389 63.664 63.200 0.125 0.000 0.901 262 S HN 0.602 nan 8.310 nan 0.000 0.491 263 K N 2.813 123.273 120.400 0.100 0.000 2.437 263 K HA 0.112 4.432 4.320 -0.001 0.000 0.198 263 K C 0.327 176.963 176.600 0.059 0.000 1.024 263 K CA -0.098 56.229 56.287 0.068 0.000 1.148 263 K CB 0.311 32.840 32.500 0.049 0.000 0.860 263 K HN 0.464 nan 8.250 nan 0.000 0.515 264 S N 0.304 116.049 115.700 0.074 0.000 2.498 264 S HA 0.250 4.719 4.470 -0.001 0.000 0.281 264 S C 1.107 175.743 174.600 0.060 0.000 1.265 264 S CA 0.805 59.043 58.200 0.063 0.000 1.071 264 S CB 0.251 63.491 63.200 0.066 0.000 0.894 264 S HN 0.668 nan 8.310 nan 0.000 0.491 265 G N 3.668 112.496 108.800 0.047 0.000 2.175 265 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.244 265 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.244 265 G C -0.113 174.810 174.900 0.039 0.000 0.982 265 G CA -0.069 45.059 45.100 0.046 0.000 0.641 265 G HN 0.666 nan 8.290 nan 0.000 0.527 266 L N 0.793 122.021 121.223 0.008 0.000 2.456 266 L HA 0.541 4.881 4.340 -0.001 0.000 0.272 266 L C 0.773 177.626 176.870 -0.028 0.000 1.189 266 L CA -0.004 54.794 54.840 -0.069 0.000 0.846 266 L CB 0.901 42.866 42.059 -0.158 0.000 1.111 266 L HN 0.240 nan 8.230 nan 0.000 0.475 267 K N 1.725 122.098 120.400 -0.045 0.000 2.234 267 K HA 0.632 4.951 4.320 -0.001 0.000 0.282 267 K C -0.085 176.521 176.600 0.011 0.000 1.039 267 K CA 0.108 56.402 56.287 0.012 0.000 0.928 267 K CB 0.976 33.483 32.500 0.010 0.000 1.039 267 K HN 0.669 nan 8.250 nan 0.000 0.470 268 G N 0.872 109.727 108.800 0.092 0.000 3.105 268 G HA2 0.398 4.358 3.960 -0.001 0.000 0.277 268 G HA3 0.398 4.358 3.960 -0.001 0.000 0.277 268 G C -0.256 174.653 174.900 0.016 0.000 1.375 268 G CA -0.243 44.884 45.100 0.045 0.000 0.962 268 G HN 0.868 nan 8.290 nan 0.000 0.541 269 C N -1.801 117.395 119.300 -0.173 0.000 4.027 269 C HA 0.632 5.092 4.460 -0.001 0.000 0.351 269 C C -0.158 174.456 174.990 -0.627 0.000 1.634 269 C CA -0.442 58.399 59.018 -0.295 0.000 1.897 269 C CB -0.470 27.217 27.740 -0.088 0.000 2.949 269 C HN 0.407 nan 8.230 nan 0.000 0.684 270 V N 1.934 121.448 119.914 -0.667 0.000 2.588 270 V HA 0.568 4.687 4.120 -0.001 0.000 0.304 270 V C -1.450 174.244 176.094 -0.666 0.000 1.042 270 V CA -0.207 61.723 62.300 -0.617 0.000 0.877 270 V CB 1.446 33.104 31.823 -0.275 0.000 0.996 270 V HN 0.352 nan 8.190 nan 0.000 0.425 271 Y N 1.505 121.810 120.300 0.009 0.000 2.350 271 Y HA 0.698 5.249 4.550 0.002 0.000 0.338 271 Y C 1.037 176.940 175.900 0.005 0.000 0.961 271 Y CA -0.453 57.651 58.100 0.006 0.000 1.100 271 Y CB 1.893 40.360 38.460 0.011 0.000 1.179 271 Y HN 0.866 nan 8.280 nan 0.000 0.454 272 G N 1.508 110.388 108.800 0.134 0.000 2.176 272 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.253 272 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.253 272 G C 0.020 174.945 174.900 0.040 0.000 0.979 272 G CA -0.274 44.878 45.100 0.086 0.000 0.641 272 G HN 0.537 nan 8.290 nan 0.000 0.530 273 Q N 1.425 121.225 119.800 -0.001 0.000 2.361 273 Q HA 0.472 4.811 4.340 -0.001 0.000 0.250 273 Q C 1.282 177.266 176.000 -0.027 0.000 1.023 273 Q CA 0.862 56.642 55.803 -0.038 0.000 0.915 273 Q CB 0.689 29.359 28.738 -0.113 0.000 1.238 273 Q HN 0.600 nan 8.270 nan 0.000 0.451 274 T N -0.249 114.303 114.554 -0.005 0.000 3.040 274 T HA 0.299 4.648 4.350 -0.001 0.000 0.266 274 T C 1.362 176.061 174.700 -0.001 0.000 1.005 274 T CA 0.399 62.503 62.100 0.006 0.000 0.906 274 T CB 0.426 69.312 68.868 0.030 0.000 1.082 274 T HN 0.372 nan 8.240 nan 0.000 0.531 275 A N 1.581 124.392 122.820 -0.016 0.000 1.877 275 A HA 0.319 4.638 4.320 -0.001 0.000 0.216 275 A C 1.083 178.642 177.584 -0.041 0.000 1.186 275 A CA 1.019 53.042 52.037 -0.023 0.000 0.620 275 A CB -0.447 18.530 19.000 -0.039 0.000 0.822 275 A HN 0.468 nan 8.150 nan 0.000 0.443 276 V N 0.950 120.827 119.914 -0.062 0.000 2.325 276 V HA 0.284 4.404 4.120 -0.001 0.000 0.280 276 V C -0.743 175.320 176.094 -0.051 0.000 1.016 276 V CA -0.552 61.710 62.300 -0.064 0.000 0.818 276 V CB 0.994 32.763 31.823 -0.090 0.000 1.019 276 V HN 0.506 nan 8.190 nan 0.000 0.434 277 Q N 2.483 122.265 119.800 -0.030 0.000 2.327 277 Q HA 0.463 4.803 4.340 -0.001 0.000 0.254 277 Q C -0.384 175.609 176.000 -0.012 0.000 0.952 277 Q CA -0.263 55.530 55.803 -0.016 0.000 0.884 277 Q CB 1.560 30.294 28.738 -0.006 0.000 1.224 277 Q HN 0.656 nan 8.270 nan 0.000 0.422 278 L N 1.525 122.744 121.223 -0.006 0.000 2.417 278 L HA 0.422 4.761 4.340 -0.001 0.000 0.268 278 L C -0.505 176.371 176.870 0.010 0.000 1.158 278 L CA 0.694 55.535 54.840 0.001 0.000 0.819 278 L CB 1.337 43.393 42.059 -0.005 0.000 1.112 278 L HN 0.563 nan 8.230 nan 0.000 0.458 279 S N 3.616 119.327 115.700 0.018 0.000 2.548 279 S HA 0.807 5.277 4.470 -0.001 0.000 0.286 279 S C -1.057 173.576 174.600 0.055 0.000 1.098 279 S CA -0.778 57.440 58.200 0.030 0.000 0.930 279 S CB 1.103 64.314 63.200 0.018 0.000 1.070 279 S HN 0.697 nan 8.310 nan 0.000 0.480 280 L N 1.897 123.173 121.223 0.088 0.000 2.342 280 L HA 1.133 5.473 4.340 -0.001 0.000 0.271 280 L C 0.025 176.979 176.870 0.140 0.000 1.008 280 L CA -0.229 54.706 54.840 0.158 0.000 0.818 280 L CB 1.493 43.698 42.059 0.244 0.000 1.296 280 L HN 0.786 nan 8.230 nan 0.000 0.427 281 G N 0.669 109.556 108.800 0.145 0.000 2.506 281 G HA2 0.584 4.543 3.960 -0.001 0.000 0.292 281 G HA3 0.584 4.543 3.960 -0.001 0.000 0.292 281 G C -3.391 171.533 174.900 0.041 0.000 1.425 281 G CA -0.821 44.326 45.100 0.077 0.000 0.788 281 G HN 0.614 nan 8.290 nan 0.000 0.490 282 P HA 0.523 nan 4.420 nan 0.000 0.281 282 P C -0.876 176.415 177.300 -0.016 0.000 1.249 282 P CA -0.245 62.839 63.100 -0.027 0.000 0.810 282 P CB 1.466 33.138 31.700 -0.047 0.000 1.008 283 M N 1.495 121.081 119.600 -0.023 0.000 2.393 283 M HA 0.716 5.195 4.480 -0.001 0.000 0.299 283 M C -0.484 175.807 176.300 -0.014 0.000 1.103 283 M CA -0.375 54.919 55.300 -0.009 0.000 0.910 283 M CB 2.737 35.339 32.600 0.003 0.000 1.659 283 M HN 0.486 nan 8.290 nan 0.000 0.445 284 A N 1.676 124.496 122.820 -0.001 0.000 2.536 284 A HA 0.628 4.947 4.320 -0.001 0.000 0.293 284 A C -0.242 177.356 177.584 0.023 0.000 1.119 284 A CA -0.748 51.289 52.037 0.000 0.000 0.654 284 A CB 1.297 20.287 19.000 -0.017 0.000 1.291 284 A HN 0.890 nan 8.150 nan 0.000 0.439 285 R N -0.303 120.215 120.500 0.031 0.000 2.193 285 R HA 0.065 4.405 4.340 -0.001 0.000 0.213 285 R C -0.596 175.731 176.300 0.044 0.000 1.055 285 R CA 1.603 57.732 56.100 0.050 0.000 0.995 285 R CB -0.071 30.264 30.300 0.059 0.000 0.893 285 R HN 0.841 nan 8.270 nan 0.000 0.459 286 D N -3.046 117.373 120.400 0.032 0.000 2.596 286 D HA 0.090 4.730 4.640 -0.001 0.000 0.262 286 D C 0.599 176.917 176.300 0.030 0.000 1.210 286 D CA -0.750 53.270 54.000 0.034 0.000 0.873 286 D CB 0.995 41.820 40.800 0.041 0.000 1.408 286 D HN -0.340 nan 8.370 nan 0.000 0.441 287 V N -0.127 119.814 119.914 0.046 0.000 2.427 287 V HA -0.142 3.978 4.120 -0.001 0.000 0.248 287 V C 2.237 178.371 176.094 0.067 0.000 1.051 287 V CA 2.006 64.341 62.300 0.060 0.000 1.048 287 V CB -0.790 31.091 31.823 0.097 0.000 0.666 287 V HN 0.734 nan 8.190 nan 0.000 0.456 288 E N 0.702 120.966 120.200 0.107 0.000 2.160 288 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 288 E C 2.267 178.861 176.600 -0.010 0.000 0.991 288 E CA 1.639 58.104 56.400 0.108 0.000 0.810 288 E CB -0.284 29.494 29.700 0.129 0.000 0.742 288 E HN 0.572 nan 8.360 nan 0.000 0.466 289 S N -0.214 115.477 115.700 -0.014 0.000 2.383 289 S HA -0.082 4.387 4.470 -0.001 0.000 0.227 289 S C 1.819 176.366 174.600 -0.089 0.000 1.026 289 S CA 1.011 59.183 58.200 -0.047 0.000 0.981 289 S CB -0.221 62.962 63.200 -0.028 0.000 0.818 289 S HN 0.284 nan 8.310 nan 0.000 0.472 290 L N 1.073 122.247 121.223 -0.082 0.000 2.056 290 L HA -0.095 4.244 4.340 -0.001 0.000 0.207 290 L C 2.816 179.571 176.870 -0.191 0.000 1.078 290 L CA 1.192 55.972 54.840 -0.100 0.000 0.749 290 L CB -0.785 41.243 42.059 -0.053 0.000 0.901 290 L HN 0.315 nan 8.230 nan 0.000 0.433 291 A N 0.181 122.828 122.820 -0.289 0.000 1.898 291 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 291 A C 2.225 179.425 177.584 -0.639 0.000 1.181 291 A CA 1.545 53.240 52.037 -0.571 0.000 0.620 291 A CB -0.654 17.793 19.000 -0.922 0.000 0.819 291 A HN 0.309 nan 8.150 nan 0.000 0.442 292 L N -0.320 120.682 121.223 -0.370 0.000 2.046 292 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 292 L C 2.587 179.295 176.870 -0.271 0.000 1.077 292 L CA 2.256 56.922 54.840 -0.289 0.000 0.747 292 L CB -0.959 41.010 42.059 -0.151 0.000 0.896 292 L HN 0.534 nan 8.230 nan 0.000 0.432 293 C N -0.962 118.208 119.300 -0.216 0.000 2.413 293 C HA -0.157 4.302 4.460 -0.001 0.000 0.276 293 C C 2.746 177.623 174.990 -0.188 0.000 1.236 293 C CA 1.077 59.995 59.018 -0.166 0.000 1.735 293 C CB -1.128 26.537 27.740 -0.125 0.000 2.031 293 C HN 0.637 nan 8.230 nan 0.000 0.474 294 L N 1.513 122.591 121.223 -0.242 0.000 2.046 294 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 294 L C 2.554 179.268 176.870 -0.259 0.000 1.077 294 L CA 2.339 57.069 54.840 -0.185 0.000 0.747 294 L CB -0.983 41.019 42.059 -0.096 0.000 0.896 294 L HN 0.434 nan 8.230 nan 0.000 0.432 295 K N -0.872 119.164 120.400 -0.607 0.000 2.063 295 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 295 K C 1.943 178.432 176.600 -0.186 0.000 1.048 295 K CA 1.569 57.568 56.287 -0.480 0.000 0.928 295 K CB -0.219 31.902 32.500 -0.631 0.000 0.713 295 K HN 0.381 nan 8.250 nan 0.000 0.442 296 A N 0.608 123.323 122.820 -0.175 0.000 1.929 296 A HA -0.009 4.310 4.320 -0.001 0.000 0.216 296 A C 2.055 179.588 177.584 -0.084 0.000 1.176 296 A CA 0.957 52.934 52.037 -0.100 0.000 0.628 296 A CB -0.420 18.528 19.000 -0.086 0.000 0.816 296 A HN 0.303 nan 8.150 nan 0.000 0.444 297 L N -0.726 120.442 121.223 -0.091 0.000 2.109 297 L HA -0.006 4.333 4.340 -0.001 0.000 0.207 297 L C 0.751 177.536 176.870 -0.141 0.000 1.086 297 L CA 0.533 55.323 54.840 -0.084 0.000 0.760 297 L CB -0.403 41.628 42.059 -0.047 0.000 0.910 297 L HN 0.256 nan 8.230 nan 0.000 0.437 298 L N 1.580 122.749 121.223 -0.090 0.000 2.533 298 L HA 0.087 4.426 4.340 -0.001 0.000 0.239 298 L C 0.089 176.819 176.870 -0.233 0.000 1.376 298 L CA -0.648 54.133 54.840 -0.098 0.000 1.240 298 L CB -0.640 41.558 42.059 0.231 0.000 1.487 298 L HN 0.411 nan 8.230 nan 0.000 0.419 299 C N -2.640 116.351 119.300 -0.514 0.000 2.913 299 C HA 0.340 4.800 4.460 -0.001 0.000 0.322 299 C C 1.773 176.446 174.990 -0.528 0.000 1.292 299 C CA -0.838 57.974 59.018 -0.343 0.000 1.649 299 C CB 1.753 29.380 27.740 -0.189 0.000 2.139 299 C HN 0.794 nan 8.230 nan 0.000 0.475 300 E N 0.233 120.293 120.200 -0.234 0.000 2.097 300 E HA -0.314 4.036 4.350 -0.001 0.000 0.196 300 E C 1.560 178.074 176.600 -0.143 0.000 1.000 300 E CA 2.206 58.540 56.400 -0.110 0.000 0.804 300 E CB -0.363 29.266 29.700 -0.118 0.000 0.740 300 E HN 0.829 nan 8.360 nan 0.000 0.454 301 H N 0.297 119.301 119.070 -0.109 0.000 2.319 301 H HA -0.177 4.379 4.556 -0.001 0.000 0.297 301 H C 2.338 177.602 175.328 -0.107 0.000 1.097 301 H CA 1.613 57.612 56.048 -0.083 0.000 1.285 301 H CB -0.615 29.100 29.762 -0.078 0.000 1.368 301 H HN 0.272 nan 8.280 nan 0.000 0.495 302 L N 0.422 121.579 121.223 -0.110 0.000 1.989 302 L HA -0.177 4.162 4.340 -0.001 0.000 0.211 302 L C 2.088 178.933 176.870 -0.041 0.000 1.071 302 L CA 1.568 56.309 54.840 -0.165 0.000 0.749 302 L CB -0.715 41.111 42.059 -0.388 0.000 0.890 302 L HN -0.023 nan 8.230 nan 0.000 0.431 303 F N -0.385 119.599 119.950 0.058 0.000 2.293 303 F HA -0.087 4.439 4.527 -0.002 0.000 0.300 303 F C 2.647 178.469 175.800 0.036 0.000 1.086 303 F CA 1.240 59.264 58.000 0.040 0.000 1.375 303 F CB -1.932 37.081 39.000 0.021 0.000 1.045 303 F HN 0.336 nan 8.300 nan 0.000 0.516 304 T N -2.234 112.431 114.554 0.185 0.000 2.937 304 T HA -0.026 4.324 4.350 -0.001 0.000 0.260 304 T C 2.079 176.838 174.700 0.098 0.000 1.051 304 T CA 0.701 62.875 62.100 0.123 0.000 1.141 304 T CB -0.748 68.179 68.868 0.098 0.000 0.879 304 T HN 0.267 nan 8.240 nan 0.000 0.459 305 L N 0.854 122.132 121.223 0.091 0.000 2.093 305 L HA 0.127 4.466 4.340 -0.001 0.000 0.208 305 L C 0.935 177.850 176.870 0.075 0.000 1.085 305 L CA 1.122 56.004 54.840 0.069 0.000 0.755 305 L CB -0.124 41.967 42.059 0.052 0.000 0.904 305 L HN 0.306 nan 8.230 nan 0.000 0.435 306 D N -1.288 119.174 120.400 0.102 0.000 2.378 306 D HA 0.190 4.829 4.640 -0.001 0.000 0.265 306 D C -1.937 174.441 176.300 0.130 0.000 1.229 306 D CA -2.017 52.048 54.000 0.108 0.000 0.914 306 D CB 1.241 42.108 40.800 0.112 0.000 1.140 306 D HN -0.176 nan 8.370 nan 0.000 0.516 307 P HA -0.109 nan 4.420 nan 0.000 0.223 307 P C 1.300 178.639 177.300 0.066 0.000 1.144 307 P CA 1.149 64.299 63.100 0.082 0.000 0.783 307 P CB 0.097 31.830 31.700 0.054 0.000 0.771 308 T N -4.480 110.119 114.554 0.074 0.000 3.085 308 T HA 0.028 4.377 4.350 -0.001 0.000 0.263 308 T C 0.715 175.464 174.700 0.082 0.000 1.127 308 T CA 0.179 62.319 62.100 0.066 0.000 1.103 308 T CB -0.825 68.084 68.868 0.068 0.000 0.921 308 T HN -0.181 nan 8.240 nan 0.000 0.510 309 V N 3.712 123.697 119.914 0.118 0.000 2.498 309 V HA 0.328 4.447 4.120 -0.001 0.000 0.279 309 V C -2.211 173.902 176.094 0.031 0.000 1.048 309 V CA -2.182 60.208 62.300 0.149 0.000 0.967 309 V CB 0.988 32.969 31.823 0.263 0.000 0.988 309 V HN 0.242 nan 8.190 nan 0.000 0.473 310 P HA 0.102 nan 4.420 nan 0.000 0.263 310 P C -2.360 174.643 177.300 -0.494 0.000 1.195 310 P CA -0.963 61.979 63.100 -0.262 0.000 0.762 310 P CB -0.000 31.461 31.700 -0.398 0.000 0.799 311 P HA 0.102 nan 4.420 nan 0.000 0.230 311 P C -0.788 175.951 177.300 -0.933 0.000 1.791 311 P CA 0.257 62.454 63.100 -1.505 0.000 1.020 311 P CB -0.032 31.153 31.700 -0.858 0.000 1.977 312 L N 4.833 125.680 121.223 -0.627 0.000 2.270 312 L HA 0.366 4.705 4.340 -0.001 0.000 0.286 312 L C -1.688 175.247 176.870 0.108 0.000 1.059 312 L CA -2.254 52.478 54.840 -0.180 0.000 0.839 312 L CB 1.112 43.122 42.059 -0.082 0.000 1.221 312 L HN 0.075 nan 8.230 nan 0.000 0.431 313 P HA -0.030 nan 4.420 nan 0.000 0.272 313 P C -0.496 176.942 177.300 0.230 0.000 1.230 313 P CA -0.414 62.848 63.100 0.270 0.000 0.788 313 P CB 0.690 32.505 31.700 0.191 0.000 0.949 314 F N 2.608 122.629 119.950 0.118 0.000 2.571 314 F HA 0.056 4.583 4.527 -0.001 0.000 0.384 314 F C 1.085 176.928 175.800 0.073 0.000 1.058 314 F CA 0.015 58.064 58.000 0.080 0.000 1.200 314 F CB 0.304 39.331 39.000 0.046 0.000 1.077 314 F HN 0.117 nan 8.300 nan 0.000 0.558 315 R N 5.913 126.166 120.500 -0.412 0.000 2.408 315 R HA 0.084 4.423 4.340 -0.001 0.000 0.308 315 R C 0.727 176.869 176.300 -0.265 0.000 1.210 315 R CA -0.202 55.756 56.100 -0.237 0.000 1.115 315 R CB 0.292 30.487 30.300 -0.175 0.000 1.127 315 R HN 0.770 nan 8.270 nan 0.000 0.523 316 E N 2.002 122.217 120.200 0.024 0.000 2.153 316 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 316 E C 1.816 178.495 176.600 0.133 0.000 0.988 316 E CA 1.348 57.877 56.400 0.216 0.000 0.811 316 E CB 0.235 30.113 29.700 0.297 0.000 0.746 316 E HN 0.574 nan 8.360 nan 0.000 0.466 317 E N 0.876 121.108 120.200 0.053 0.000 2.110 317 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 317 E C 2.088 178.695 176.600 0.012 0.000 0.988 317 E CA 1.157 57.575 56.400 0.030 0.000 0.804 317 E CB -0.427 29.282 29.700 0.015 0.000 0.745 317 E HN 0.193 nan 8.360 nan 0.000 0.458 318 V N 0.928 120.834 119.914 -0.012 0.000 2.307 318 V HA -0.255 3.864 4.120 -0.001 0.000 0.245 318 V C 2.452 178.568 176.094 0.036 0.000 1.045 318 V CA 1.945 64.238 62.300 -0.012 0.000 1.024 318 V CB -1.037 30.754 31.823 -0.053 0.000 0.651 318 V HN 0.265 nan 8.190 nan 0.000 0.449 319 Y N 1.670 121.926 120.300 -0.073 0.000 2.207 319 Y HA -0.176 4.374 4.550 -0.001 0.000 0.287 319 Y C 2.484 178.423 175.900 0.065 0.000 1.156 319 Y CA 1.570 59.684 58.100 0.022 0.000 1.182 319 Y CB -0.206 38.336 38.460 0.137 0.000 0.979 319 Y HN 0.070 nan 8.280 nan 0.000 0.521 320 R N 0.396 120.819 120.500 -0.128 0.000 2.313 320 R HA 0.054 4.393 4.340 -0.001 0.000 0.199 320 R C 0.985 177.216 176.300 -0.116 0.000 0.958 320 R CA 0.537 56.513 56.100 -0.206 0.000 1.047 320 R CB -0.445 29.822 30.300 -0.055 0.000 0.955 320 R HN 0.206 nan 8.270 nan 0.000 0.481 321 S N 1.382 117.043 115.700 -0.064 0.000 2.552 321 S HA -0.001 4.468 4.470 -0.001 0.000 0.289 321 S C 0.914 175.501 174.600 -0.021 0.000 1.304 321 S CA -0.117 58.067 58.200 -0.027 0.000 1.063 321 S CB 0.572 63.769 63.200 -0.005 0.000 0.848 321 S HN 0.365 nan 8.310 nan 0.000 0.499 322 S N 4.571 120.270 115.700 -0.003 0.000 2.711 322 S HA 0.393 4.863 4.470 -0.001 0.000 0.247 322 S C 0.020 174.643 174.600 0.038 0.000 1.079 322 S CA -0.842 57.370 58.200 0.019 0.000 1.050 322 S CB 0.141 63.343 63.200 0.004 0.000 0.885 322 S HN 0.568 nan 8.310 nan 0.000 0.498 323 R N 2.531 123.056 120.500 0.040 0.000 2.531 323 R HA 0.495 4.834 4.340 -0.001 0.000 0.273 323 R C -2.781 173.569 176.300 0.082 0.000 1.070 323 R CA -2.257 53.864 56.100 0.036 0.000 1.112 323 R CB -0.734 29.580 30.300 0.022 0.000 1.049 323 R HN 0.225 nan 8.270 nan 0.000 0.508 324 P HA 0.121 nan 4.420 nan 0.000 0.269 324 P C -0.472 176.920 177.300 0.153 0.000 1.209 324 P CA 0.144 63.280 63.100 0.061 0.000 0.776 324 P CB 0.476 32.142 31.700 -0.057 0.000 0.876 325 L N 2.675 124.099 121.223 0.336 0.000 2.334 325 L HA 0.500 4.839 4.340 -0.001 0.000 0.273 325 L C 0.751 177.627 176.870 0.010 0.000 1.013 325 L CA -0.888 53.997 54.840 0.074 0.000 0.816 325 L CB 1.673 43.663 42.059 -0.116 0.000 1.278 325 L HN 0.204 nan 8.230 nan 0.000 0.431 326 R N 1.708 122.156 120.500 -0.086 0.000 2.196 326 R HA 0.449 4.788 4.340 -0.001 0.000 0.340 326 R C -1.153 174.996 176.300 -0.251 0.000 1.043 326 R CA -0.440 55.584 56.100 -0.126 0.000 0.883 326 R CB 1.245 31.472 30.300 -0.122 0.000 1.078 326 R HN 0.287 nan 8.270 nan 0.000 0.462 327 V N 3.057 122.841 119.914 -0.217 0.000 2.350 327 V HA 0.338 4.457 4.120 -0.001 0.000 0.285 327 V C 0.809 176.806 176.094 -0.162 0.000 1.014 327 V CA -0.928 61.191 62.300 -0.302 0.000 0.831 327 V CB 1.520 33.193 31.823 -0.250 0.000 1.000 327 V HN 0.923 nan 8.190 nan 0.000 0.433 328 G N 4.049 112.662 108.800 -0.312 0.000 2.527 328 G HA2 0.462 4.421 3.960 -0.001 0.000 0.248 328 G HA3 0.462 4.421 3.960 -0.001 0.000 0.248 328 G C -0.903 174.062 174.900 0.109 0.000 1.231 328 G CA 0.012 45.004 45.100 -0.179 0.000 0.838 328 G HN 1.020 nan 8.290 nan 0.000 0.570 329 Y N -0.183 120.176 120.300 0.100 0.000 2.552 329 Y HA 0.642 5.191 4.550 -0.001 0.000 0.337 329 Y C -1.514 174.556 175.900 0.283 0.000 1.094 329 Y CA -2.058 56.112 58.100 0.117 0.000 1.028 329 Y CB 1.172 39.664 38.460 0.054 0.000 1.321 329 Y HN 0.803 nan 8.280 nan 0.000 0.456 330 Y N -0.190 120.203 120.300 0.155 0.000 2.545 330 Y HA 0.669 5.218 4.550 -0.001 0.000 0.348 330 Y C 0.049 176.098 175.900 0.249 0.000 1.002 330 Y CA -1.464 56.693 58.100 0.095 0.000 1.039 330 Y CB 1.933 40.468 38.460 0.124 0.000 1.271 330 Y HN 0.750 nan 8.280 nan 0.000 0.467 331 E N 0.346 120.769 120.200 0.373 0.000 2.340 331 E HA 0.079 4.428 4.350 -0.001 0.000 0.194 331 E C -0.116 176.690 176.600 0.344 0.000 0.996 331 E CA 0.857 57.435 56.400 0.297 0.000 0.869 331 E CB 0.648 30.504 29.700 0.259 0.000 0.835 331 E HN 0.648 nan 8.360 nan 0.000 0.493 332 T N 0.243 115.089 114.554 0.486 0.000 2.932 332 T HA 0.073 4.422 4.350 -0.001 0.000 0.318 332 T C -1.155 173.903 174.700 0.596 0.000 1.265 332 T CA -0.772 61.680 62.100 0.587 0.000 1.036 332 T CB 1.493 70.640 68.868 0.464 0.000 1.209 332 T HN 0.002 nan 8.240 nan 0.000 0.484 333 D N 2.193 122.953 120.400 0.600 0.000 2.328 333 D HA 0.102 4.741 4.640 -0.001 0.000 0.221 333 D C 0.565 176.914 176.300 0.081 0.000 1.072 333 D CA -0.099 54.012 54.000 0.185 0.000 0.850 333 D CB -0.838 39.971 40.800 0.016 0.000 0.922 333 D HN 0.816 nan 8.370 nan 0.000 0.516 334 N N -1.670 117.078 118.700 0.081 0.000 2.708 334 N HA -0.320 4.419 4.740 -0.001 0.000 0.251 334 N C -0.346 175.131 175.510 -0.054 0.000 1.123 334 N CA 0.986 53.863 53.050 -0.289 0.000 0.739 334 N CB -1.395 36.920 38.487 -0.286 0.000 1.113 334 N HN 0.415 nan 8.380 nan 0.000 0.561 335 Y N -0.750 119.671 120.300 0.202 0.000 2.921 335 Y HA 0.223 4.773 4.550 -0.001 0.000 0.246 335 Y C 0.394 176.655 175.900 0.601 0.000 1.030 335 Y CA 0.525 58.877 58.100 0.420 0.000 1.338 335 Y CB 0.990 39.563 38.460 0.188 0.000 1.493 335 Y HN -0.067 nan 8.280 nan 0.000 0.452 336 T N 3.474 118.360 114.554 0.553 0.000 2.770 336 T HA 0.268 4.617 4.350 -0.001 0.000 0.297 336 T C -0.402 174.637 174.700 0.565 0.000 0.997 336 T CA -0.470 61.924 62.100 0.491 0.000 0.949 336 T CB 0.579 69.712 68.868 0.442 0.000 0.941 336 T HN 0.219 nan 8.240 nan 0.000 0.457 337 M N 6.184 125.881 119.600 0.162 0.000 2.269 337 M HA 0.164 4.643 4.480 -0.001 0.000 0.350 337 M C -2.180 174.322 176.300 0.337 0.000 1.429 337 M CA -1.165 54.055 55.300 -0.133 0.000 1.063 337 M CB 0.594 32.636 32.600 -0.930 0.000 1.841 337 M HN 0.215 nan 8.290 nan 0.000 0.455 338 P HA 0.122 nan 4.420 nan 0.000 0.274 338 P C -0.997 176.494 177.300 0.318 0.000 1.231 338 P CA -0.416 62.861 63.100 0.294 0.000 0.790 338 P CB 0.520 32.329 31.700 0.181 0.000 0.951 339 S N 2.027 117.852 115.700 0.208 0.000 2.584 339 S HA 0.175 4.645 4.470 -0.001 0.000 0.270 339 S C -1.642 173.020 174.600 0.103 0.000 1.346 339 S CA -0.710 57.569 58.200 0.132 0.000 1.018 339 S CB -0.399 62.793 63.200 -0.013 0.000 0.899 339 S HN 0.256 nan 8.310 nan 0.000 0.542 340 P HA -0.136 nan 4.420 nan 0.000 0.216 340 P C 1.615 178.931 177.300 0.026 0.000 1.154 340 P CA 2.127 65.261 63.100 0.058 0.000 0.865 340 P CB -0.283 31.444 31.700 0.046 0.000 0.789 341 A N -1.216 121.604 122.820 0.001 0.000 1.902 341 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 341 A C 2.254 179.825 177.584 -0.021 0.000 1.181 341 A CA 2.013 54.037 52.037 -0.020 0.000 0.623 341 A CB -1.474 17.497 19.000 -0.048 0.000 0.818 341 A HN 0.103 nan 8.150 nan 0.000 0.443 342 M N -1.401 118.189 119.600 -0.017 0.000 2.080 342 M HA -0.185 4.294 4.480 -0.001 0.000 0.260 342 M C 2.452 178.742 176.300 -0.016 0.000 1.068 342 M CA 2.054 57.336 55.300 -0.031 0.000 1.109 342 M CB -0.294 32.286 32.600 -0.035 0.000 1.342 342 M HN 0.490 nan 8.290 nan 0.000 0.405 343 R N 0.132 120.646 120.500 0.023 0.000 2.073 343 R HA -0.165 4.174 4.340 -0.001 0.000 0.234 343 R C 2.310 178.627 176.300 0.028 0.000 1.134 343 R CA 1.694 57.821 56.100 0.045 0.000 0.952 343 R CB -0.219 30.127 30.300 0.076 0.000 0.850 343 R HN 0.274 nan 8.270 nan 0.000 0.433 344 R N 0.070 120.580 120.500 0.017 0.000 2.081 344 R HA -0.119 4.220 4.340 -0.001 0.000 0.235 344 R C 2.141 178.435 176.300 -0.009 0.000 1.131 344 R CA 1.541 57.645 56.100 0.006 0.000 0.960 344 R CB -0.337 29.964 30.300 0.003 0.000 0.856 344 R HN 0.306 nan 8.270 nan 0.000 0.436 345 A N 1.677 124.484 122.820 -0.021 0.000 1.892 345 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 345 A C 2.128 179.688 177.584 -0.040 0.000 1.188 345 A CA 1.448 53.463 52.037 -0.037 0.000 0.631 345 A CB -0.772 18.199 19.000 -0.049 0.000 0.822 345 A HN 0.419 nan 8.150 nan 0.000 0.447 346 L N -0.144 121.060 121.223 -0.032 0.000 2.027 346 L HA -0.087 4.252 4.340 -0.001 0.000 0.206 346 L C 2.335 179.189 176.870 -0.026 0.000 1.074 346 L CA 1.995 56.819 54.840 -0.027 0.000 0.745 346 L CB -0.913 41.145 42.059 -0.002 0.000 0.898 346 L HN 0.479 nan 8.230 nan 0.000 0.433 347 I N 0.041 120.607 120.570 -0.007 0.000 2.252 347 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 347 I C 2.436 178.528 176.117 -0.042 0.000 1.102 347 I CA 1.138 62.426 61.300 -0.019 0.000 1.385 347 I CB -0.219 37.790 38.000 0.015 0.000 1.064 347 I HN 0.310 nan 8.210 nan 0.000 0.414 348 E N 0.251 120.433 120.200 -0.030 0.000 2.110 348 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 348 E C 2.141 178.717 176.600 -0.041 0.000 0.988 348 E CA 1.729 58.111 56.400 -0.030 0.000 0.804 348 E CB -0.063 29.623 29.700 -0.023 0.000 0.745 348 E HN 0.464 nan 8.360 nan 0.000 0.458 349 T N 1.112 115.635 114.554 -0.051 0.000 2.737 349 T HA -0.148 4.202 4.350 -0.001 0.000 0.265 349 T C 1.774 176.437 174.700 -0.062 0.000 1.038 349 T CA 0.956 63.022 62.100 -0.057 0.000 1.144 349 T CB -0.073 68.751 68.868 -0.073 0.000 0.866 349 T HN 0.079 nan 8.240 nan 0.000 0.434 350 K N 1.054 121.392 120.400 -0.104 0.000 2.044 350 K HA -0.211 4.108 4.320 -0.001 0.000 0.210 350 K C 2.342 178.866 176.600 -0.127 0.000 1.049 350 K CA 1.646 57.822 56.287 -0.184 0.000 0.927 350 K CB -0.185 32.090 32.500 -0.373 0.000 0.713 350 K HN 0.402 nan 8.250 nan 0.000 0.443 351 Q N -0.280 119.465 119.800 -0.092 0.000 2.084 351 Q HA -0.110 4.229 4.340 -0.001 0.000 0.202 351 Q C 2.281 178.267 176.000 -0.023 0.000 0.978 351 Q CA 1.319 57.090 55.803 -0.053 0.000 0.844 351 Q CB 0.012 28.727 28.738 -0.038 0.000 0.898 351 Q HN 0.255 nan 8.270 nan 0.000 0.426 352 R N 0.266 120.757 120.500 -0.015 0.000 2.092 352 R HA -0.076 4.263 4.340 -0.001 0.000 0.231 352 R C 2.316 178.643 176.300 0.046 0.000 1.119 352 R CA 0.872 56.977 56.100 0.008 0.000 0.970 352 R CB -0.458 29.843 30.300 0.003 0.000 0.864 352 R HN 0.305 nan 8.270 nan 0.000 0.440 353 L N 0.851 122.107 121.223 0.055 0.000 2.046 353 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 353 L C 2.379 179.348 176.870 0.164 0.000 1.077 353 L CA 1.484 56.417 54.840 0.155 0.000 0.747 353 L CB -0.381 41.740 42.059 0.104 0.000 0.896 353 L HN 0.221 nan 8.230 nan 0.000 0.432 354 E N -0.042 120.192 120.200 0.056 0.000 2.077 354 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 354 E C 2.296 178.903 176.600 0.010 0.000 0.989 354 E CA 1.096 57.512 56.400 0.026 0.000 0.800 354 E CB -0.171 29.521 29.700 -0.012 0.000 0.746 354 E HN 0.500 nan 8.360 nan 0.000 0.452 355 A N 1.322 124.148 122.820 0.011 0.000 1.978 355 A HA -0.108 4.211 4.320 -0.001 0.000 0.220 355 A C 2.270 179.849 177.584 -0.008 0.000 1.170 355 A CA 1.600 53.637 52.037 0.000 0.000 0.636 355 A CB -0.408 18.594 19.000 0.004 0.000 0.810 355 A HN 0.276 nan 8.150 nan 0.000 0.448 356 A N -2.145 120.682 122.820 0.012 0.000 2.238 356 A HA 0.411 4.730 4.320 -0.001 0.000 0.208 356 A C 1.742 179.210 177.584 -0.194 0.000 1.177 356 A CA 1.250 53.272 52.037 -0.026 0.000 0.804 356 A CB -0.732 18.326 19.000 0.097 0.000 0.823 356 A HN 1.851 nan 8.150 nan 0.000 0.482 357 G N -1.622 107.072 108.800 -0.178 0.000 2.179 357 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.220 357 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.220 357 G C 0.037 174.760 174.900 -0.294 0.000 0.990 357 G CA 0.088 45.048 45.100 -0.233 0.000 0.646 357 G HN 0.647 nan 8.290 nan 0.000 0.517 358 H N 0.686 119.750 119.070 -0.010 0.000 2.505 358 H HA 0.487 5.042 4.556 -0.001 0.000 0.351 358 H C -0.019 175.293 175.328 -0.026 0.000 1.151 358 H CA 0.677 56.713 56.048 -0.020 0.000 1.339 358 H CB 1.049 30.805 29.762 -0.010 0.000 1.483 358 H HN 0.092 nan 8.280 nan 0.000 0.558 359 T N 4.232 118.836 114.554 0.083 0.000 2.744 359 T HA 0.203 4.552 4.350 -0.001 0.000 0.291 359 T C 0.451 175.175 174.700 0.041 0.000 0.957 359 T CA -0.720 61.403 62.100 0.039 0.000 1.002 359 T CB 0.316 69.192 68.868 0.014 0.000 0.919 359 T HN 0.127 nan 8.240 nan 0.000 0.468 360 L N 5.075 126.332 121.223 0.056 0.000 2.264 360 L HA 0.526 4.866 4.340 -0.001 0.000 0.289 360 L C -0.228 176.791 176.870 0.248 0.000 1.044 360 L CA -0.299 54.605 54.840 0.106 0.000 0.807 360 L CB 0.856 42.878 42.059 -0.062 0.000 1.192 360 L HN 0.655 nan 8.230 nan 0.000 0.425 361 I N 5.753 126.492 120.570 0.283 0.000 2.411 361 I HA 0.302 4.471 4.170 -0.001 0.000 0.284 361 I C -2.180 173.986 176.117 0.082 0.000 1.012 361 I CA -1.919 59.483 61.300 0.168 0.000 1.119 361 I CB 1.992 40.017 38.000 0.041 0.000 1.261 361 I HN 0.327 nan 8.210 nan 0.000 0.448 362 P HA 0.056 nan 4.420 nan 0.000 0.261 362 P C -1.026 176.254 177.300 -0.035 0.000 1.183 362 P CA 0.411 63.312 63.100 -0.331 0.000 0.761 362 P CB 0.149 31.730 31.700 -0.197 0.000 0.785 363 F N 4.773 124.609 119.950 -0.190 0.000 2.615 363 F HA 0.577 5.103 4.527 -0.001 0.000 0.312 363 F C -2.082 173.728 175.800 0.017 0.000 1.119 363 F CA -1.005 56.959 58.000 -0.060 0.000 0.979 363 F CB 1.400 40.369 39.000 -0.052 0.000 1.266 363 F HN 0.093 nan 8.300 nan 0.000 0.444 364 L N 8.080 128.946 121.223 -0.596 0.000 2.476 364 L HA 0.681 5.020 4.340 -0.001 0.000 0.269 364 L C -2.623 173.848 176.870 -0.664 0.000 0.965 364 L CA -1.914 52.602 54.840 -0.540 0.000 0.845 364 L CB 1.894 43.712 42.059 -0.402 0.000 1.259 364 L HN 0.333 nan 8.230 nan 0.000 0.403 365 P HA 0.117 nan 4.420 nan 0.000 0.264 365 P C -1.131 176.072 177.300 -0.162 0.000 1.183 365 P CA 0.081 63.059 63.100 -0.203 0.000 0.763 365 P CB 0.120 31.827 31.700 0.012 0.000 0.807 366 N N 1.733 120.376 118.700 -0.095 0.000 2.482 366 N HA 0.007 4.746 4.740 -0.001 0.000 0.260 366 N C 0.070 175.657 175.510 0.128 0.000 1.236 366 N CA -0.358 52.680 53.050 -0.021 0.000 0.938 366 N CB -0.242 38.237 38.487 -0.014 0.000 1.128 366 N HN 0.244 nan 8.380 nan 0.000 0.448 367 N N -0.103 118.631 118.700 0.056 0.000 2.725 367 N HA -0.195 4.544 4.740 -0.001 0.000 0.251 367 N C 0.210 175.736 175.510 0.027 0.000 1.031 367 N CA 0.580 53.669 53.050 0.064 0.000 0.720 367 N CB -0.906 37.633 38.487 0.085 0.000 0.930 367 N HN 0.659 nan 8.380 nan 0.000 0.543 368 I N 0.466 121.017 120.570 -0.032 0.000 2.226 368 I HA -0.177 3.993 4.170 -0.001 0.000 0.245 368 I C -0.528 175.461 176.117 -0.213 0.000 1.100 368 I CA 1.267 62.482 61.300 -0.141 0.000 1.374 368 I CB -0.817 37.082 38.000 -0.169 0.000 1.057 368 I HN 0.178 nan 8.210 nan 0.000 0.413 369 P HA -0.240 nan 4.420 nan 0.000 0.215 369 P C 1.604 178.870 177.300 -0.056 0.000 1.157 369 P CA 1.531 64.616 63.100 -0.024 0.000 0.868 369 P CB -0.199 31.642 31.700 0.235 0.000 0.788 370 Y N 1.004 121.206 120.300 -0.164 0.000 2.128 370 Y HA -0.251 4.299 4.550 -0.001 0.000 0.284 370 Y C 2.349 178.035 175.900 -0.356 0.000 1.154 370 Y CA 1.873 59.841 58.100 -0.220 0.000 1.149 370 Y CB -1.182 37.156 38.460 -0.203 0.000 0.976 370 Y HN -0.108 nan 8.280 nan 0.000 0.505 371 A N 0.364 122.841 122.820 -0.571 0.000 1.908 371 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 371 A C 2.312 179.563 177.584 -0.555 0.000 1.181 371 A CA 2.088 53.648 52.037 -0.795 0.000 0.627 371 A CB -1.069 17.448 19.000 -0.805 0.000 0.818 371 A HN 0.585 nan 8.150 nan 0.000 0.445 372 L N -1.537 119.412 121.223 -0.457 0.000 2.102 372 L HA -0.077 4.262 4.340 -0.001 0.000 0.202 372 L C 2.586 179.173 176.870 -0.472 0.000 1.076 372 L CA 1.352 55.951 54.840 -0.402 0.000 0.761 372 L CB -0.557 41.244 42.059 -0.430 0.000 0.921 372 L HN 0.401 nan 8.230 nan 0.000 0.444 373 E N -0.498 119.440 120.200 -0.436 0.000 2.076 373 E HA -0.118 4.231 4.350 -0.001 0.000 0.190 373 E C 2.129 178.474 176.600 -0.425 0.000 0.979 373 E CA 0.952 57.046 56.400 -0.510 0.000 0.807 373 E CB 0.226 29.809 29.700 -0.196 0.000 0.761 373 E HN 0.205 nan 8.360 nan 0.000 0.454 374 V N 0.618 120.295 119.914 -0.395 0.000 2.521 374 V HA -0.066 4.054 4.120 -0.001 0.000 0.239 374 V C 2.064 177.914 176.094 -0.407 0.000 1.053 374 V CA 0.703 62.788 62.300 -0.358 0.000 1.073 374 V CB -0.187 31.427 31.823 -0.349 0.000 0.746 374 V HN 0.170 nan 8.190 nan 0.000 0.476 375 L N -0.168 120.709 121.223 -0.575 0.000 2.023 375 L HA -0.071 4.268 4.340 -0.001 0.000 0.205 375 L C 2.604 179.287 176.870 -0.311 0.000 1.073 375 L CA 1.655 56.220 54.840 -0.458 0.000 0.745 375 L CB -0.726 40.987 42.059 -0.577 0.000 0.900 375 L HN 0.281 nan 8.230 nan 0.000 0.435 376 S N -0.570 114.937 115.700 -0.322 0.000 2.345 376 S HA -0.139 4.330 4.470 -0.001 0.000 0.219 376 S C 2.028 176.520 174.600 -0.180 0.000 1.031 376 S CA 1.765 59.831 58.200 -0.225 0.000 0.984 376 S CB -0.367 62.709 63.200 -0.205 0.000 0.874 376 S HN 0.390 nan 8.310 nan 0.000 0.451 377 T N 1.763 116.184 114.554 -0.222 0.000 2.746 377 T HA -0.047 4.302 4.350 -0.001 0.000 0.267 377 T C 2.075 176.751 174.700 -0.041 0.000 1.039 377 T CA 1.361 63.395 62.100 -0.110 0.000 1.142 377 T CB -0.911 67.763 68.868 -0.324 0.000 0.866 377 T HN 0.537 nan 8.240 nan 0.000 0.444 378 G N 0.940 109.670 108.800 -0.117 0.000 2.418 378 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.217 378 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.217 378 G C 1.710 176.563 174.900 -0.078 0.000 1.158 378 G CA 0.958 46.014 45.100 -0.073 0.000 0.771 378 G HN 0.569 nan 8.290 nan 0.000 0.545 379 G N 0.845 109.570 108.800 -0.124 0.000 2.402 379 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.216 379 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.216 379 G C 1.798 176.582 174.900 -0.194 0.000 1.162 379 G CA 0.698 45.721 45.100 -0.128 0.000 0.777 379 G HN 0.421 nan 8.290 nan 0.000 0.539 380 L N -1.161 119.890 121.223 -0.287 0.000 2.141 380 L HA 0.151 4.491 4.340 -0.001 0.000 0.209 380 L C 1.084 177.439 176.870 -0.859 0.000 1.094 380 L CA 0.592 55.066 54.840 -0.610 0.000 0.763 380 L CB -0.069 41.555 42.059 -0.726 0.000 0.908 380 L HN 0.109 nan 8.230 nan 0.000 0.437 381 F N -1.460 118.405 119.950 -0.142 0.000 2.879 381 F HA 0.224 4.750 4.527 -0.001 0.000 0.354 381 F C 1.699 177.458 175.800 -0.069 0.000 1.291 381 F CA -0.365 57.566 58.000 -0.114 0.000 1.238 381 F CB -0.122 38.822 39.000 -0.093 0.000 1.005 381 F HN -0.188 nan 8.300 nan 0.000 0.508 382 S N 0.187 115.907 115.700 0.033 0.000 2.387 382 S HA -0.214 4.255 4.470 -0.001 0.000 0.230 382 S C 1.721 176.349 174.600 0.046 0.000 1.035 382 S CA 1.918 60.134 58.200 0.026 0.000 1.014 382 S CB -0.197 63.002 63.200 -0.002 0.000 0.836 382 S HN 0.630 nan 8.310 nan 0.000 0.466 383 D N -0.050 120.387 120.400 0.062 0.000 2.325 383 D HA 0.210 4.849 4.640 -0.001 0.000 0.225 383 D C 1.140 177.491 176.300 0.086 0.000 1.096 383 D CA 0.631 54.670 54.000 0.064 0.000 0.844 383 D CB -0.522 40.313 40.800 0.060 0.000 0.925 383 D HN 0.383 nan 8.370 nan 0.000 0.513 384 G N -0.271 108.594 108.800 0.109 0.000 2.162 384 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.260 384 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.260 384 G C 1.170 176.123 174.900 0.089 0.000 0.976 384 G CA 0.437 45.587 45.100 0.082 0.000 0.655 384 G HN 1.414 nan 8.290 nan 0.000 0.533 385 G N -0.904 108.028 108.800 0.219 0.000 2.176 385 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.232 385 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.232 385 G C 0.980 176.023 174.900 0.237 0.000 0.986 385 G CA 1.372 46.644 45.100 0.286 0.000 0.643 385 G HN 1.172 nan 8.290 nan 0.000 0.522 386 R N 1.031 121.623 120.500 0.153 0.000 2.073 386 R HA 0.001 4.340 4.340 -0.001 0.000 0.234 386 R C 2.752 179.129 176.300 0.128 0.000 1.134 386 R CA 2.516 58.685 56.100 0.115 0.000 0.952 386 R CB -0.421 29.928 30.300 0.081 0.000 0.850 386 R HN 0.395 nan 8.270 nan 0.000 0.433 387 S N 0.271 116.050 115.700 0.132 0.000 2.356 387 S HA -0.170 4.299 4.470 -0.001 0.000 0.223 387 S C 1.515 176.204 174.600 0.149 0.000 1.032 387 S CA 1.380 59.649 58.200 0.114 0.000 1.005 387 S CB -0.504 62.741 63.200 0.075 0.000 0.867 387 S HN 0.381 nan 8.310 nan 0.000 0.449 388 F N 2.303 122.279 119.950 0.044 0.000 2.126 388 F HA -0.044 4.483 4.527 -0.001 0.000 0.299 388 F C 1.768 177.700 175.800 0.220 0.000 1.096 388 F CA 1.176 59.234 58.000 0.098 0.000 1.255 388 F CB -0.417 38.673 39.000 0.149 0.000 0.997 388 F HN 0.086 nan 8.300 nan 0.000 0.479 389 L N -0.124 121.209 121.223 0.182 0.000 2.291 389 L HA -0.168 4.172 4.340 -0.001 0.000 0.214 389 L C 2.425 179.361 176.870 0.111 0.000 1.120 389 L CA 0.423 55.331 54.840 0.113 0.000 0.799 389 L CB -0.699 41.411 42.059 0.084 0.000 0.925 389 L HN 0.147 nan 8.230 nan 0.000 0.446 390 Q N 0.226 120.068 119.800 0.070 0.000 2.197 390 Q HA -0.195 4.144 4.340 -0.001 0.000 0.207 390 Q C 1.834 177.826 176.000 -0.013 0.000 0.984 390 Q CA 1.235 57.061 55.803 0.038 0.000 0.869 390 Q CB -0.482 28.285 28.738 0.049 0.000 0.906 390 Q HN 0.613 nan 8.270 nan 0.000 0.426 391 N N -0.303 118.344 118.700 -0.088 0.000 2.289 391 N HA -0.109 4.631 4.740 -0.001 0.000 0.184 391 N C 1.099 176.362 175.510 -0.411 0.000 1.016 391 N CA 0.897 53.775 53.050 -0.288 0.000 0.872 391 N CB -0.125 38.052 38.487 -0.517 0.000 0.973 391 N HN 0.276 nan 8.380 nan 0.000 0.433 392 F N 0.977 120.827 119.950 -0.168 0.000 2.695 392 F HA 0.222 4.750 4.527 0.001 0.000 0.303 392 F C 0.696 176.434 175.800 -0.105 0.000 1.091 392 F CA -0.287 57.631 58.000 -0.137 0.000 1.300 392 F CB 0.310 39.218 39.000 -0.154 0.000 1.071 392 F HN -0.356 nan 8.300 nan 0.000 0.578 393 K N 0.840 121.266 120.400 0.043 0.000 2.447 393 K HA 0.220 4.539 4.320 -0.001 0.000 0.281 393 K C 1.233 177.808 176.600 -0.043 0.000 1.031 393 K CA 0.850 57.139 56.287 0.003 0.000 1.019 393 K CB 0.101 32.599 32.500 -0.003 0.000 0.918 393 K HN 0.377 nan 8.250 nan 0.000 0.476 394 G N 2.296 111.058 108.800 -0.063 0.000 2.168 394 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.263 394 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.263 394 G C -0.110 174.677 174.900 -0.189 0.000 0.977 394 G CA 0.455 45.485 45.100 -0.116 0.000 0.659 394 G HN 0.660 nan 8.290 nan 0.000 0.533 395 D N -0.826 119.483 120.400 -0.150 0.000 2.340 395 D HA 0.660 5.300 4.640 -0.001 0.000 0.243 395 D C 0.463 176.654 176.300 -0.183 0.000 0.988 395 D CA -0.904 52.989 54.000 -0.177 0.000 0.959 395 D CB 0.638 41.398 40.800 -0.066 0.000 1.226 395 D HN -0.024 nan 8.370 nan 0.000 0.509 396 F N 0.031 120.005 119.950 0.040 0.000 2.410 396 F HA 0.286 4.812 4.527 -0.001 0.000 0.334 396 F C 0.627 176.495 175.800 0.114 0.000 1.134 396 F CA -0.522 57.510 58.000 0.052 0.000 1.227 396 F CB 0.840 39.856 39.000 0.025 0.000 1.194 396 F HN -0.104 nan 8.300 nan 0.000 0.571 397 V N 2.214 122.307 119.914 0.298 0.000 2.347 397 V HA 0.087 4.206 4.120 -0.001 0.000 0.280 397 V C -0.029 176.166 176.094 0.169 0.000 1.021 397 V CA -0.964 61.469 62.300 0.222 0.000 0.847 397 V CB 1.164 33.032 31.823 0.074 0.000 0.990 397 V HN 0.669 nan 8.190 nan 0.000 0.444 398 D N 6.412 126.916 120.400 0.172 0.000 2.455 398 D HA 0.090 4.729 4.640 -0.001 0.000 0.241 398 D C -1.558 174.776 176.300 0.057 0.000 1.138 398 D CA -1.200 52.861 54.000 0.102 0.000 0.877 398 D CB 2.181 43.045 40.800 0.107 0.000 1.187 398 D HN 0.253 nan 8.370 nan 0.000 0.451 399 P HA -0.123 nan 4.420 nan 0.000 0.221 399 P C 1.518 178.811 177.300 -0.012 0.000 1.145 399 P CA 0.769 63.870 63.100 0.001 0.000 0.795 399 P CB -0.104 31.588 31.700 -0.012 0.000 0.775 400 C N -2.375 116.921 119.300 -0.007 0.000 2.456 400 C HA 0.059 4.519 4.460 -0.001 0.000 0.279 400 C C 2.213 177.178 174.990 -0.041 0.000 1.427 400 C CA -0.041 58.955 59.018 -0.036 0.000 1.778 400 C CB -2.065 25.656 27.740 -0.032 0.000 1.842 400 C HN 0.103 nan 8.230 nan 0.000 0.531 401 L N 1.492 122.719 121.223 0.006 0.000 2.610 401 L HA 0.268 4.607 4.340 -0.001 0.000 0.232 401 L C 2.098 178.959 176.870 -0.015 0.000 1.149 401 L CA 0.607 55.458 54.840 0.018 0.000 0.872 401 L CB -1.313 40.786 42.059 0.067 0.000 0.992 401 L HN 0.713 nan 8.230 nan 0.000 0.447 402 G N 1.096 109.878 108.800 -0.031 0.000 2.611 402 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.301 402 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.301 402 G C 0.246 175.132 174.900 -0.022 0.000 1.233 402 G CA 0.422 45.503 45.100 -0.032 0.000 0.993 402 G HN 0.343 nan 8.290 nan 0.000 0.553 403 D N 0.552 120.943 120.400 -0.015 0.000 2.424 403 D HA 0.243 4.882 4.640 -0.001 0.000 0.220 403 D C 2.170 178.457 176.300 -0.022 0.000 1.150 403 D CA -0.056 53.932 54.000 -0.019 0.000 0.831 403 D CB 0.617 41.411 40.800 -0.011 0.000 0.981 403 D HN 0.256 nan 8.370 nan 0.000 0.500 404 L N 0.830 122.045 121.223 -0.013 0.000 2.042 404 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 404 L C 1.719 178.561 176.870 -0.046 0.000 1.076 404 L CA 1.626 56.463 54.840 -0.004 0.000 0.749 404 L CB -0.224 41.877 42.059 0.070 0.000 0.893 404 L HN -0.055 nan 8.230 nan 0.000 0.432 405 I N -0.910 119.602 120.570 -0.097 0.000 2.252 405 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 405 I C 2.499 178.544 176.117 -0.120 0.000 1.102 405 I CA 1.171 62.364 61.300 -0.179 0.000 1.385 405 I CB -1.511 36.274 38.000 -0.358 0.000 1.064 405 I HN 0.333 nan 8.210 nan 0.000 0.414 406 L N 0.893 122.061 121.223 -0.092 0.000 2.012 406 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 406 L C 2.445 179.275 176.870 -0.067 0.000 1.073 406 L CA 1.883 56.679 54.840 -0.072 0.000 0.748 406 L CB -0.354 41.672 42.059 -0.055 0.000 0.891 406 L HN 0.077 nan 8.230 nan 0.000 0.431 407 I N -1.083 119.453 120.570 -0.056 0.000 2.252 407 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 407 I C 2.309 178.380 176.117 -0.077 0.000 1.102 407 I CA 1.130 62.402 61.300 -0.047 0.000 1.385 407 I CB -0.242 37.740 38.000 -0.029 0.000 1.064 407 I HN 0.267 nan 8.210 nan 0.000 0.414 408 L N 0.164 121.321 121.223 -0.109 0.000 2.131 408 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 408 L C 2.511 179.338 176.870 -0.072 0.000 1.092 408 L CA 1.216 55.980 54.840 -0.127 0.000 0.759 408 L CB -0.476 41.507 42.059 -0.127 0.000 0.903 408 L HN 0.177 nan 8.230 nan 0.000 0.435 409 R N -0.312 120.147 120.500 -0.068 0.000 2.280 409 R HA 0.053 4.392 4.340 -0.001 0.000 0.207 409 R C 0.498 176.751 176.300 -0.079 0.000 1.043 409 R CA 0.055 56.118 56.100 -0.061 0.000 1.006 409 R CB -0.124 30.136 30.300 -0.067 0.000 0.885 409 R HN 0.275 nan 8.270 nan 0.000 0.467 410 L N 2.318 123.488 121.223 -0.088 0.000 2.485 410 L HA 0.098 4.438 4.340 -0.001 0.000 0.275 410 L C -1.981 174.811 176.870 -0.130 0.000 1.207 410 L CA -1.844 52.922 54.840 -0.123 0.000 0.855 410 L CB 0.063 42.098 42.059 -0.040 0.000 1.114 410 L HN -0.195 nan 8.230 nan 0.000 0.485 411 P HA -0.019 nan 4.420 nan 0.000 0.269 411 P C 0.459 177.626 177.300 -0.222 0.000 1.209 411 P CA 0.016 62.987 63.100 -0.216 0.000 0.776 411 P CB 0.851 32.329 31.700 -0.370 0.000 0.876 412 S N 2.652 118.318 115.700 -0.057 0.000 2.370 412 S HA -0.139 4.330 4.470 -0.001 0.000 0.226 412 S C 1.515 176.134 174.600 0.032 0.000 1.033 412 S CA 1.279 59.482 58.200 0.004 0.000 1.011 412 S CB -0.765 62.478 63.200 0.070 0.000 0.852 412 S HN 0.694 nan 8.310 nan 0.000 0.457 413 W N -0.053 121.294 121.300 0.078 0.000 2.374 413 W HA -0.103 4.557 4.660 -0.001 0.000 0.288 413 W C 1.781 178.356 176.519 0.093 0.000 1.218 413 W CA 0.528 57.916 57.345 0.072 0.000 1.245 413 W CB -1.107 28.396 29.460 0.072 0.000 1.126 413 W HN 0.396 nan 8.180 nan 0.000 0.545 414 F N 2.595 121.987 119.950 -0.929 0.000 2.187 414 F HA 0.042 4.569 4.527 -0.001 0.000 0.295 414 F C 2.515 178.104 175.800 -0.352 0.000 1.091 414 F CA 1.839 59.291 58.000 -0.914 0.000 1.308 414 F CB -0.394 37.840 39.000 -1.277 0.000 1.030 414 F HN -0.313 nan 8.300 nan 0.000 0.487 415 K N -0.149 120.135 120.400 -0.192 0.000 2.113 415 K HA -0.225 4.095 4.320 -0.001 0.000 0.208 415 K C 2.355 178.865 176.600 -0.149 0.000 1.047 415 K CA 1.242 57.442 56.287 -0.144 0.000 0.928 415 K CB -0.235 32.227 32.500 -0.063 0.000 0.716 415 K HN 0.120 nan 8.250 nan 0.000 0.446 416 R N 1.026 121.471 120.500 -0.093 0.000 2.057 416 R HA -0.081 4.259 4.340 -0.001 0.000 0.229 416 R C 2.319 178.578 176.300 -0.068 0.000 1.136 416 R CA 1.054 57.133 56.100 -0.034 0.000 0.952 416 R CB -0.576 29.754 30.300 0.050 0.000 0.848 416 R HN 0.152 nan 8.270 nan 0.000 0.430 417 L N 1.318 122.486 121.223 -0.092 0.000 2.017 417 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 417 L C 2.327 179.052 176.870 -0.243 0.000 1.073 417 L CA 1.566 56.338 54.840 -0.114 0.000 0.745 417 L CB -0.730 41.305 42.059 -0.040 0.000 0.894 417 L HN 0.187 nan 8.230 nan 0.000 0.432 418 L N -1.314 119.627 121.223 -0.471 0.000 2.042 418 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 418 L C 2.684 179.438 176.870 -0.193 0.000 1.076 418 L CA 1.811 56.402 54.840 -0.414 0.000 0.749 418 L CB -0.442 41.295 42.059 -0.537 0.000 0.893 418 L HN 0.493 nan 8.230 nan 0.000 0.432 419 S N -0.225 115.385 115.700 -0.150 0.000 2.359 419 S HA -0.195 4.274 4.470 -0.001 0.000 0.224 419 S C 1.915 176.488 174.600 -0.045 0.000 1.035 419 S CA 1.206 59.364 58.200 -0.069 0.000 1.018 419 S CB -0.080 63.093 63.200 -0.045 0.000 0.876 419 S HN 0.261 nan 8.310 nan 0.000 0.448 420 L N 0.993 122.186 121.223 -0.050 0.000 2.083 420 L HA 0.047 4.387 4.340 -0.001 0.000 0.209 420 L C 2.268 179.121 176.870 -0.028 0.000 1.083 420 L CA 1.311 56.134 54.840 -0.028 0.000 0.752 420 L CB -1.511 40.536 42.059 -0.021 0.000 0.899 420 L HN 0.330 nan 8.230 nan 0.000 0.433 421 L N -1.318 119.879 121.223 -0.044 0.000 2.093 421 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 421 L C 2.396 179.262 176.870 -0.007 0.000 1.085 421 L CA 1.417 56.239 54.840 -0.030 0.000 0.755 421 L CB -0.709 41.323 42.059 -0.045 0.000 0.904 421 L HN 0.154 nan 8.230 nan 0.000 0.435 422 L N -1.260 119.964 121.223 0.002 0.000 2.240 422 L HA -0.129 4.211 4.340 -0.001 0.000 0.211 422 L C 2.520 179.411 176.870 0.035 0.000 1.106 422 L CA 0.645 55.524 54.840 0.065 0.000 0.793 422 L CB -0.423 41.676 42.059 0.067 0.000 0.927 422 L HN 0.223 nan 8.230 nan 0.000 0.446 423 K N 0.566 120.969 120.400 0.005 0.000 2.044 423 K HA -0.199 4.120 4.320 -0.001 0.000 0.210 423 K C -0.446 176.138 176.600 -0.026 0.000 1.049 423 K CA 1.754 58.043 56.287 0.003 0.000 0.927 423 K CB -0.846 31.656 32.500 0.003 0.000 0.713 423 K HN 0.228 nan 8.250 nan 0.000 0.443 424 P HA -0.114 nan 4.420 nan 0.000 0.220 424 P C 0.944 178.146 177.300 -0.163 0.000 1.148 424 P CA 0.979 64.030 63.100 -0.082 0.000 0.803 424 P CB 0.191 31.847 31.700 -0.073 0.000 0.782 425 L N -3.161 117.898 121.223 -0.273 0.000 2.362 425 L HA 0.220 4.559 4.340 -0.001 0.000 0.204 425 L C 0.653 177.039 176.870 -0.807 0.000 1.060 425 L CA 1.170 55.628 54.840 -0.636 0.000 0.827 425 L CB -0.426 41.078 42.059 -0.925 0.000 1.027 425 L HN -0.196 nan 8.230 nan 0.000 0.474 426 F N 0.214 120.144 119.950 -0.034 0.000 2.584 426 F HA 0.385 4.911 4.527 -0.001 0.000 0.328 426 F C -1.648 174.107 175.800 -0.074 0.000 1.407 426 F CA -2.150 55.808 58.000 -0.069 0.000 1.145 426 F CB 0.228 39.142 39.000 -0.145 0.000 1.440 426 F HN -0.078 nan 8.300 nan 0.000 0.580 427 P HA -0.149 nan 4.420 nan 0.000 0.222 427 P C 1.744 179.087 177.300 0.072 0.000 1.147 427 P CA 1.174 64.331 63.100 0.096 0.000 0.790 427 P CB 0.434 32.219 31.700 0.140 0.000 0.780 428 R N -0.143 120.333 120.500 -0.041 0.000 2.062 428 R HA -0.003 4.337 4.340 -0.001 0.000 0.231 428 R C 2.546 178.780 176.300 -0.109 0.000 1.136 428 R CA 1.177 57.170 56.100 -0.179 0.000 0.948 428 R CB -0.826 29.038 30.300 -0.728 0.000 0.845 428 R HN 0.218 nan 8.270 nan 0.000 0.430 429 L N -0.074 120.953 121.223 -0.328 0.000 2.046 429 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 429 L C 2.693 179.519 176.870 -0.073 0.000 1.077 429 L CA 1.256 55.864 54.840 -0.385 0.000 0.747 429 L CB -0.655 41.112 42.059 -0.487 0.000 0.896 429 L HN 0.234 nan 8.230 nan 0.000 0.432 430 A N 0.287 123.100 122.820 -0.013 0.000 1.902 430 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 430 A C 2.553 180.174 177.584 0.061 0.000 1.181 430 A CA 1.846 53.896 52.037 0.022 0.000 0.623 430 A CB -0.642 18.373 19.000 0.026 0.000 0.818 430 A HN 0.405 nan 8.150 nan 0.000 0.443 431 A N -1.324 121.560 122.820 0.106 0.000 1.898 431 A HA 0.049 4.368 4.320 -0.001 0.000 0.216 431 A C 1.998 179.649 177.584 0.112 0.000 1.181 431 A CA 1.313 53.412 52.037 0.104 0.000 0.620 431 A CB -0.744 18.329 19.000 0.121 0.000 0.819 431 A HN 0.462 nan 8.150 nan 0.000 0.442 432 F N -0.086 119.903 119.950 0.065 0.000 2.126 432 F HA -0.178 4.348 4.527 -0.001 0.000 0.299 432 F C 2.216 178.048 175.800 0.054 0.000 1.096 432 F CA 1.503 59.570 58.000 0.113 0.000 1.255 432 F CB -0.248 38.907 39.000 0.258 0.000 0.997 432 F HN 0.133 nan 8.300 nan 0.000 0.479 433 L N -0.206 121.132 121.223 0.192 0.000 2.017 433 L HA -0.291 4.049 4.340 -0.001 0.000 0.208 433 L C 2.232 179.119 176.870 0.028 0.000 1.073 433 L CA 1.625 56.508 54.840 0.073 0.000 0.745 433 L CB -0.569 41.498 42.059 0.013 0.000 0.894 433 L HN 0.160 nan 8.230 nan 0.000 0.432 434 N N 0.131 118.845 118.700 0.023 0.000 2.223 434 N HA -0.190 4.550 4.740 -0.001 0.000 0.185 434 N C 1.373 176.885 175.510 0.005 0.000 1.016 434 N CA 1.237 54.291 53.050 0.007 0.000 0.863 434 N CB -0.021 38.471 38.487 0.009 0.000 0.983 434 N HN 0.255 nan 8.380 nan 0.000 0.429 435 N N -0.471 118.227 118.700 -0.003 0.000 2.336 435 N HA 0.076 4.815 4.740 -0.001 0.000 0.189 435 N C 0.263 175.782 175.510 0.015 0.000 1.113 435 N CA 0.202 53.239 53.050 -0.023 0.000 0.858 435 N CB 0.197 38.627 38.487 -0.095 0.000 0.970 435 N HN 0.412 nan 8.380 nan 0.000 0.471 436 M N 0.326 119.942 119.600 0.027 0.000 2.493 436 M HA 0.139 4.618 4.480 -0.001 0.000 0.244 436 M C 0.034 176.339 176.300 0.009 0.000 1.182 436 M CA 0.081 55.394 55.300 0.022 0.000 0.981 436 M CB 0.380 32.929 32.600 -0.086 0.000 1.551 436 M HN -0.174 nan 8.290 nan 0.000 0.476 437 R N 1.434 121.946 120.500 0.020 0.000 2.500 437 R HA 0.368 4.708 4.340 -0.001 0.000 0.275 437 R C -2.318 174.004 176.300 0.036 0.000 1.051 437 R CA -1.611 54.501 56.100 0.020 0.000 1.088 437 R CB 0.300 30.611 30.300 0.019 0.000 1.063 437 R HN -0.056 nan 8.270 nan 0.000 0.511 438 P HA 0.096 nan 4.420 nan 0.000 0.274 438 P C -1.119 176.198 177.300 0.028 0.000 1.231 438 P CA -0.083 63.040 63.100 0.038 0.000 0.790 438 P CB 0.878 32.601 31.700 0.039 0.000 0.951 439 R N -0.324 120.186 120.500 0.018 0.000 2.795 439 R HA 0.598 4.937 4.340 -0.001 0.000 0.268 439 R C -0.572 175.718 176.300 -0.016 0.000 1.041 439 R CA -0.844 55.259 56.100 0.004 0.000 0.927 439 R CB 0.466 30.769 30.300 0.004 0.000 1.235 439 R HN 0.470 nan 8.270 nan 0.000 0.463 440 S N -0.248 115.429 115.700 -0.038 0.000 2.614 440 S HA 0.347 4.816 4.470 -0.001 0.000 0.265 440 S C 1.289 175.814 174.600 -0.124 0.000 1.303 440 S CA -0.208 57.945 58.200 -0.079 0.000 1.000 440 S CB 1.471 64.617 63.200 -0.090 0.000 0.935 440 S HN 0.807 nan 8.310 nan 0.000 0.551 441 A N 0.529 123.230 122.820 -0.198 0.000 1.972 441 A HA -0.100 4.219 4.320 -0.001 0.000 0.219 441 A C 2.107 179.369 177.584 -0.536 0.000 1.169 441 A CA 1.675 53.514 52.037 -0.330 0.000 0.635 441 A CB -1.186 17.573 19.000 -0.401 0.000 0.810 441 A HN 1.024 nan 8.150 nan 0.000 0.446 442 E N 0.073 119.991 120.200 -0.469 0.000 2.070 442 E HA -0.247 4.103 4.350 -0.001 0.000 0.197 442 E C 1.882 178.414 176.600 -0.113 0.000 1.004 442 E CA 1.632 57.810 56.400 -0.370 0.000 0.805 442 E CB -0.110 29.463 29.700 -0.212 0.000 0.744 442 E HN 0.602 nan 8.360 nan 0.000 0.451 443 K N 0.041 120.398 120.400 -0.072 0.000 2.155 443 K HA -0.122 4.198 4.320 -0.001 0.000 0.203 443 K C 2.222 178.852 176.600 0.050 0.000 1.052 443 K CA 0.593 56.886 56.287 0.010 0.000 0.948 443 K CB -0.118 32.383 32.500 0.000 0.000 0.728 443 K HN 0.164 nan 8.250 nan 0.000 0.448 444 L N 0.316 121.554 121.223 0.026 0.000 2.056 444 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 444 L C 1.750 178.764 176.870 0.241 0.000 1.078 444 L CA 1.609 56.504 54.840 0.091 0.000 0.749 444 L CB -0.538 41.560 42.059 0.065 0.000 0.901 444 L HN 0.187 nan 8.230 nan 0.000 0.433 445 W N 0.639 121.955 121.300 0.027 0.000 2.318 445 W HA -0.226 4.433 4.660 -0.002 0.000 0.313 445 W C 2.828 179.386 176.519 0.065 0.000 1.221 445 W CA 1.734 59.101 57.345 0.038 0.000 1.266 445 W CB -1.055 28.420 29.460 0.025 0.000 1.150 445 W HN 0.211 nan 8.180 nan 0.000 0.496 446 K N -0.183 120.404 120.400 0.311 0.000 2.063 446 K HA -0.212 4.107 4.320 -0.001 0.000 0.208 446 K C 2.098 178.810 176.600 0.187 0.000 1.048 446 K CA 1.583 58.006 56.287 0.226 0.000 0.928 446 K CB -0.607 31.989 32.500 0.160 0.000 0.713 446 K HN 0.005 nan 8.250 nan 0.000 0.442 447 L N 1.416 122.720 121.223 0.136 0.000 2.056 447 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 447 L C 2.011 178.922 176.870 0.069 0.000 1.078 447 L CA 1.679 56.561 54.840 0.070 0.000 0.749 447 L CB -0.359 41.717 42.059 0.029 0.000 0.901 447 L HN 0.243 nan 8.230 nan 0.000 0.433 448 Q N -1.553 118.315 119.800 0.113 0.000 2.119 448 Q HA -0.244 4.096 4.340 -0.001 0.000 0.201 448 Q C 2.121 178.186 176.000 0.109 0.000 0.972 448 Q CA 1.589 57.447 55.803 0.092 0.000 0.847 448 Q CB -0.397 28.406 28.738 0.108 0.000 0.903 448 Q HN 0.691 nan 8.270 nan 0.000 0.433 449 H N 1.044 120.147 119.070 0.054 0.000 2.357 449 H HA -0.090 4.466 4.556 -0.001 0.000 0.301 449 H C 1.544 176.915 175.328 0.071 0.000 1.082 449 H CA 1.285 57.361 56.048 0.048 0.000 1.342 449 H CB 0.421 30.213 29.762 0.049 0.000 1.389 449 H HN 0.310 nan 8.280 nan 0.000 0.511 450 E N 0.401 120.585 120.200 -0.025 0.000 2.118 450 E HA -0.161 4.188 4.350 -0.001 0.000 0.195 450 E C 2.435 179.042 176.600 0.012 0.000 0.992 450 E CA 1.164 57.555 56.400 -0.016 0.000 0.804 450 E CB 0.045 29.802 29.700 0.095 0.000 0.741 450 E HN 0.535 nan 8.360 nan 0.000 0.458 451 I N 1.160 121.728 120.570 -0.004 0.000 2.179 451 I HA -0.282 3.888 4.170 -0.001 0.000 0.242 451 I C 2.718 178.864 176.117 0.050 0.000 1.088 451 I CA 1.239 62.548 61.300 0.016 0.000 1.357 451 I CB -0.238 37.753 38.000 -0.015 0.000 1.051 451 I HN 0.149 nan 8.210 nan 0.000 0.409 452 E N 1.078 121.282 120.200 0.006 0.000 2.072 452 E HA -0.236 4.113 4.350 -0.001 0.000 0.191 452 E C 2.353 178.944 176.600 -0.016 0.000 0.985 452 E CA 1.280 57.684 56.400 0.007 0.000 0.801 452 E CB -0.018 29.695 29.700 0.021 0.000 0.750 452 E HN 0.430 nan 8.360 nan 0.000 0.452 453 M N -0.394 119.150 119.600 -0.093 0.000 2.175 453 M HA -0.127 4.352 4.480 -0.001 0.000 0.264 453 M C 2.195 178.512 176.300 0.028 0.000 1.063 453 M CA 1.251 56.504 55.300 -0.078 0.000 1.119 453 M CB -0.366 32.125 32.600 -0.182 0.000 1.377 453 M HN 0.225 nan 8.290 nan 0.000 0.415 454 Y N 0.930 121.213 120.300 -0.028 0.000 2.145 454 Y HA -0.284 4.265 4.550 -0.001 0.000 0.286 454 Y C 2.645 178.546 175.900 0.001 0.000 1.145 454 Y CA 1.809 59.915 58.100 0.011 0.000 1.148 454 Y CB -0.157 38.319 38.460 0.026 0.000 0.981 454 Y HN 0.064 nan 8.280 nan 0.000 0.507 455 R N -0.075 120.386 120.500 -0.066 0.000 2.096 455 R HA -0.229 4.111 4.340 -0.001 0.000 0.240 455 R C 2.259 178.527 176.300 -0.054 0.000 1.139 455 R CA 2.061 58.106 56.100 -0.091 0.000 0.952 455 R CB -0.214 30.107 30.300 0.036 0.000 0.854 455 R HN 0.415 nan 8.270 nan 0.000 0.436 456 Q N -0.085 119.701 119.800 -0.024 0.000 2.167 456 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 456 Q C 2.153 178.141 176.000 -0.018 0.000 0.970 456 Q CA 1.805 57.608 55.803 -0.002 0.000 0.855 456 Q CB -0.107 28.636 28.738 0.009 0.000 0.911 456 Q HN 0.474 nan 8.270 nan 0.000 0.438 457 S N -0.344 115.311 115.700 -0.076 0.000 2.383 457 S HA -0.083 4.387 4.470 -0.001 0.000 0.227 457 S C 2.103 176.661 174.600 -0.071 0.000 1.026 457 S CA 1.259 59.414 58.200 -0.075 0.000 0.981 457 S CB -0.512 62.636 63.200 -0.087 0.000 0.818 457 S HN 0.119 nan 8.310 nan 0.000 0.472 458 V N 1.929 121.743 119.914 -0.168 0.000 2.453 458 V HA -0.002 4.117 4.120 -0.001 0.000 0.247 458 V C 2.453 178.710 176.094 0.272 0.000 1.048 458 V CA 1.454 63.756 62.300 0.002 0.000 1.049 458 V CB -0.715 31.001 31.823 -0.179 0.000 0.672 458 V HN 0.474 nan 8.190 nan 0.000 0.457 459 I N 0.713 121.402 120.570 0.199 0.000 2.208 459 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 459 I C 2.661 178.886 176.117 0.180 0.000 1.097 459 I CA 1.570 62.961 61.300 0.151 0.000 1.363 459 I CB -0.538 37.484 38.000 0.036 0.000 1.051 459 I HN 0.301 nan 8.210 nan 0.000 0.413 460 A N -0.031 122.869 122.820 0.134 0.000 1.933 460 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 460 A C 2.264 179.961 177.584 0.188 0.000 1.175 460 A CA 1.505 53.618 52.037 0.127 0.000 0.628 460 A CB -0.579 18.465 19.000 0.074 0.000 0.814 460 A HN 0.453 nan 8.150 nan 0.000 0.444 461 Q N -1.623 118.319 119.800 0.237 0.000 2.061 461 Q HA -0.210 4.129 4.340 -0.001 0.000 0.204 461 Q C 2.051 178.364 176.000 0.523 0.000 0.984 461 Q CA 1.565 57.562 55.803 0.322 0.000 0.846 461 Q CB -0.263 28.649 28.738 0.290 0.000 0.902 461 Q HN 0.915 nan 8.270 nan 0.000 0.421 462 W N 1.754 123.255 121.300 0.334 0.000 2.333 462 W HA -0.211 4.449 4.660 -0.001 0.000 0.316 462 W C 1.493 178.026 176.519 0.023 0.000 1.215 462 W CA 1.320 58.718 57.345 0.089 0.000 1.278 462 W CB -0.093 29.393 29.460 0.044 0.000 1.154 462 W HN 0.034 nan 8.180 nan 0.000 0.486 463 K N 0.439 121.068 120.400 0.381 0.000 2.097 463 K HA -0.111 4.208 4.320 -0.001 0.000 0.206 463 K C 2.170 178.854 176.600 0.140 0.000 1.049 463 K CA 1.518 57.938 56.287 0.222 0.000 0.933 463 K CB -1.220 31.371 32.500 0.152 0.000 0.717 463 K HN 0.190 nan 8.250 nan 0.000 0.442 464 A N 0.940 123.850 122.820 0.150 0.000 1.972 464 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 464 A C 1.900 179.535 177.584 0.086 0.000 1.169 464 A CA 1.369 53.470 52.037 0.108 0.000 0.635 464 A CB -0.223 18.844 19.000 0.111 0.000 0.810 464 A HN 0.124 nan 8.150 nan 0.000 0.446 465 M N -0.642 119.013 119.600 0.091 0.000 2.428 465 M HA 0.143 4.622 4.480 -0.001 0.000 0.239 465 M C 0.583 176.856 176.300 -0.045 0.000 1.121 465 M CA -0.308 55.011 55.300 0.031 0.000 1.019 465 M CB -1.476 31.159 32.600 0.058 0.000 1.485 465 M HN 0.658 nan 8.290 nan 0.000 0.484 466 N N 1.825 120.514 118.700 -0.019 0.000 2.714 466 N HA -0.177 4.562 4.740 -0.001 0.000 0.252 466 N C -0.984 174.451 175.510 -0.125 0.000 1.014 466 N CA -0.071 52.962 53.050 -0.027 0.000 0.735 466 N CB -0.558 37.923 38.487 -0.011 0.000 0.924 466 N HN 0.373 nan 8.380 nan 0.000 0.540 467 L N 0.190 121.228 121.223 -0.309 0.000 2.439 467 L HA 0.124 4.463 4.340 -0.001 0.000 0.269 467 L C 1.399 178.113 176.870 -0.260 0.000 1.179 467 L CA -0.406 54.093 54.840 -0.569 0.000 0.828 467 L CB 0.550 41.748 42.059 -1.434 0.000 1.106 467 L HN 0.150 nan 8.230 nan 0.000 0.467 468 D N 0.700 120.962 120.400 -0.230 0.000 2.369 468 D HA 0.074 4.713 4.640 -0.001 0.000 0.231 468 D C 0.330 176.636 176.300 0.011 0.000 0.967 468 D CA 1.038 55.011 54.000 -0.045 0.000 0.905 468 D CB 0.664 41.400 40.800 -0.106 0.000 1.044 468 D HN 0.354 nan 8.370 nan 0.000 0.487 469 V N -1.478 118.249 119.914 -0.312 0.000 3.182 469 V HA 0.701 4.820 4.120 -0.001 0.000 0.308 469 V C -1.449 174.300 176.094 -0.574 0.000 1.240 469 V CA -1.143 60.967 62.300 -0.317 0.000 1.063 469 V CB 2.623 34.040 31.823 -0.676 0.000 1.076 469 V HN -0.055 nan 8.190 nan 0.000 0.446 470 L N 1.829 122.885 121.223 -0.279 0.000 2.410 470 L HA 0.831 5.170 4.340 -0.001 0.000 0.270 470 L C -1.261 175.669 176.870 0.101 0.000 0.983 470 L CA -0.622 54.111 54.840 -0.177 0.000 0.822 470 L CB 1.642 43.653 42.059 -0.080 0.000 1.285 470 L HN 0.931 nan 8.230 nan 0.000 0.409 471 L N 4.646 125.947 121.223 0.130 0.000 2.296 471 L HA 0.872 5.211 4.340 -0.001 0.000 0.286 471 L C -0.254 176.582 176.870 -0.056 0.000 1.023 471 L CA 0.461 55.405 54.840 0.173 0.000 0.812 471 L CB 1.580 43.792 42.059 0.255 0.000 1.223 471 L HN 0.890 nan 8.230 nan 0.000 0.421 472 T N 2.623 117.087 114.554 -0.150 0.000 2.883 472 T HA 0.761 5.111 4.350 -0.001 0.000 0.296 472 T C -2.922 171.644 174.700 -0.224 0.000 1.117 472 T CA -2.081 59.786 62.100 -0.389 0.000 1.006 472 T CB 1.990 70.626 68.868 -0.387 0.000 1.191 472 T HN 0.363 nan 8.240 nan 0.000 0.508 473 P HA 0.440 nan 4.420 nan 0.000 0.272 473 P C -0.991 176.121 177.300 -0.312 0.000 1.230 473 P CA -0.594 62.317 63.100 -0.315 0.000 0.788 473 P CB 0.319 31.707 31.700 -0.519 0.000 0.949 474 M N 2.280 121.740 119.600 -0.233 0.000 2.395 474 M HA 0.408 4.887 4.480 -0.001 0.000 0.307 474 M C -1.504 174.759 176.300 -0.061 0.000 1.091 474 M CA -1.448 53.780 55.300 -0.120 0.000 0.919 474 M CB 1.196 33.755 32.600 -0.067 0.000 1.662 474 M HN 0.063 nan 8.290 nan 0.000 0.440 475 L N 4.747 126.022 121.223 0.085 0.000 2.559 475 L HA 0.564 4.904 4.340 -0.001 0.000 0.274 475 L C 0.151 177.200 176.870 0.298 0.000 1.205 475 L CA 1.617 56.603 54.840 0.244 0.000 0.907 475 L CB -0.397 41.943 42.059 0.468 0.000 1.153 475 L HN 0.885 nan 8.230 nan 0.000 0.490 476 G N 4.673 113.560 108.800 0.145 0.000 2.328 476 G HA2 0.368 4.327 3.960 -0.001 0.000 0.299 476 G HA3 0.368 4.327 3.960 -0.001 0.000 0.299 476 G C -3.389 171.463 174.900 -0.081 0.000 1.435 476 G CA -0.563 44.550 45.100 0.021 0.000 0.865 476 G HN 0.499 nan 8.290 nan 0.000 0.601 477 P HA 0.612 nan 4.420 nan 0.000 0.304 477 P C 0.091 177.071 177.300 -0.533 0.000 1.310 477 P CA -0.095 62.846 63.100 -0.265 0.000 0.796 477 P CB 1.105 32.669 31.700 -0.227 0.000 1.297 478 A N 0.427 122.814 122.820 -0.722 0.000 2.561 478 A HA 0.196 4.515 4.320 -0.001 0.000 0.234 478 A C 0.679 177.842 177.584 -0.702 0.000 1.055 478 A CA 0.103 51.409 52.037 -1.218 0.000 0.756 478 A CB -0.979 17.658 19.000 -0.604 0.000 0.986 478 A HN 0.406 nan 8.150 nan 0.000 0.505 479 L N 1.767 122.598 121.223 -0.653 0.000 2.439 479 L HA 0.224 4.564 4.340 -0.001 0.000 0.261 479 L C 0.086 176.851 176.870 -0.174 0.000 1.153 479 L CA -0.996 53.681 54.840 -0.272 0.000 0.808 479 L CB 0.107 42.087 42.059 -0.132 0.000 1.126 479 L HN 0.613 nan 8.230 nan 0.000 0.460 480 D N 1.120 121.443 120.400 -0.128 0.000 2.400 480 D HA 0.187 4.826 4.640 -0.001 0.000 0.238 480 D C 0.228 176.481 176.300 -0.078 0.000 1.157 480 D CA -0.035 53.912 54.000 -0.089 0.000 0.889 480 D CB 0.627 41.382 40.800 -0.076 0.000 1.199 480 D HN 0.233 nan 8.370 nan 0.000 0.436 481 L N 2.039 123.230 121.223 -0.054 0.000 2.559 481 L HA -0.099 4.241 4.340 -0.001 0.000 0.282 481 L C 1.072 177.903 176.870 -0.066 0.000 1.232 481 L CA 0.448 55.259 54.840 -0.048 0.000 0.885 481 L CB -0.314 41.727 42.059 -0.029 0.000 1.131 481 L HN 0.550 nan 8.230 nan 0.000 0.498 482 N N -0.903 117.748 118.700 -0.082 0.000 2.828 482 N HA -0.234 4.506 4.740 -0.001 0.000 0.248 482 N C 0.770 176.213 175.510 -0.112 0.000 1.044 482 N CA 0.841 53.837 53.050 -0.090 0.000 0.851 482 N CB -0.954 37.497 38.487 -0.060 0.000 1.136 482 N HN 0.927 nan 8.380 nan 0.000 0.572 483 T N -4.643 109.827 114.554 -0.139 0.000 3.023 483 T HA 0.190 4.539 4.350 -0.001 0.000 0.249 483 T C -1.273 173.276 174.700 -0.252 0.000 1.050 483 T CA 0.230 62.239 62.100 -0.152 0.000 1.088 483 T CB -0.310 68.490 68.868 -0.113 0.000 0.946 483 T HN -0.089 nan 8.240 nan 0.000 0.480 484 P HA -0.041 nan 4.420 nan 0.000 0.217 484 P C 1.835 178.759 177.300 -0.628 0.000 1.151 484 P CA 1.621 64.201 63.100 -0.866 0.000 0.849 484 P CB -0.701 30.140 31.700 -1.431 0.000 0.787 485 G N -0.919 107.639 108.800 -0.403 0.000 2.535 485 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 485 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 485 G C 1.390 176.178 174.900 -0.187 0.000 1.122 485 G CA 0.333 45.282 45.100 -0.251 0.000 0.769 485 G HN 0.308 nan 8.290 nan 0.000 0.549 486 R N -0.669 119.722 120.500 -0.182 0.000 2.535 486 R HA 0.392 4.731 4.340 -0.001 0.000 0.323 486 R C 0.453 176.689 176.300 -0.107 0.000 0.979 486 R CA 0.249 56.298 56.100 -0.084 0.000 1.120 486 R CB 1.011 31.290 30.300 -0.035 0.000 1.306 486 R HN 0.183 nan 8.270 nan 0.000 0.540 487 A N 0.440 123.102 122.820 -0.263 0.000 3.248 487 A HA 0.235 4.554 4.320 -0.001 0.000 0.315 487 A C 0.574 177.854 177.584 -0.507 0.000 0.974 487 A CA -0.405 51.456 52.037 -0.294 0.000 0.939 487 A CB 0.297 19.261 19.000 -0.060 0.000 1.061 487 A HN -0.018 nan 8.150 nan 0.000 0.481 488 T N -0.207 113.623 114.554 -1.206 0.000 2.951 488 T HA -0.059 4.291 4.350 -0.001 0.000 0.268 488 T C 2.091 176.186 174.700 -1.007 0.000 1.073 488 T CA 1.855 63.304 62.100 -1.084 0.000 1.134 488 T CB 0.027 68.117 68.868 -1.296 0.000 0.884 488 T HN 0.687 nan 8.240 nan 0.000 0.479 489 G N 1.151 109.236 108.800 -1.191 0.000 2.448 489 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.219 489 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.219 489 G C 1.659 176.581 174.900 0.037 0.000 1.127 489 G CA 0.722 45.664 45.100 -0.263 0.000 0.766 489 G HN 0.571 nan 8.290 nan 0.000 0.552 490 A N 0.590 123.401 122.820 -0.016 0.000 2.216 490 A HA 0.161 4.480 4.320 -0.001 0.000 0.214 490 A C 2.393 180.030 177.584 0.089 0.000 1.160 490 A CA 1.477 53.584 52.037 0.116 0.000 0.725 490 A CB -0.426 18.662 19.000 0.147 0.000 0.784 490 A HN 0.898 nan 8.150 nan 0.000 0.472 491 V N -1.403 118.503 119.914 -0.014 0.000 3.510 491 V HA -0.084 4.035 4.120 -0.001 0.000 0.270 491 V C 2.038 178.182 176.094 0.082 0.000 1.201 491 V CA 1.585 63.934 62.300 0.082 0.000 1.166 491 V CB -1.335 30.500 31.823 0.019 0.000 0.825 491 V HN 0.615 nan 8.190 nan 0.000 0.484 492 S N 0.177 115.911 115.700 0.056 0.000 2.370 492 S HA -0.271 4.198 4.470 -0.001 0.000 0.226 492 S C 1.828 176.353 174.600 -0.125 0.000 1.033 492 S CA 1.828 59.975 58.200 -0.089 0.000 1.011 492 S CB -1.058 62.086 63.200 -0.092 0.000 0.852 492 S HN 0.619 nan 8.310 nan 0.000 0.457 493 Y N 3.106 123.499 120.300 0.155 0.000 2.224 493 Y HA -0.068 4.481 4.550 -0.001 0.000 0.289 493 Y C 3.273 179.263 175.900 0.150 0.000 1.146 493 Y CA 1.385 59.601 58.100 0.192 0.000 1.182 493 Y CB -1.034 37.539 38.460 0.188 0.000 0.983 493 Y HN 0.622 nan 8.280 nan 0.000 0.524 494 T N -3.473 111.159 114.554 0.131 0.000 2.953 494 T HA -0.097 4.252 4.350 -0.001 0.000 0.247 494 T C 1.935 176.644 174.700 0.015 0.000 1.029 494 T CA 0.740 62.849 62.100 0.016 0.000 1.144 494 T CB -0.623 68.038 68.868 -0.345 0.000 0.870 494 T HN 0.267 nan 8.240 nan 0.000 0.446 495 M N 0.677 120.259 119.600 -0.030 0.000 2.267 495 M HA 0.049 4.529 4.480 -0.001 0.000 0.263 495 M C 2.048 178.264 176.300 -0.139 0.000 1.063 495 M CA 1.069 56.335 55.300 -0.056 0.000 1.090 495 M CB -0.411 32.169 32.600 -0.034 0.000 1.392 495 M HN 0.270 nan 8.290 nan 0.000 0.422 496 L N -0.109 120.970 121.223 -0.241 0.000 2.081 496 L HA -0.233 4.106 4.340 -0.001 0.000 0.212 496 L C 1.417 177.938 176.870 -0.582 0.000 1.080 496 L CA 2.088 56.651 54.840 -0.461 0.000 0.754 496 L CB -0.762 40.904 42.059 -0.655 0.000 0.893 496 L HN 0.390 nan 8.230 nan 0.000 0.433 497 Y N -1.450 118.823 120.300 -0.045 0.000 2.482 497 Y HA 0.101 4.650 4.550 -0.001 0.000 0.270 497 Y C 2.103 177.967 175.900 -0.061 0.000 1.152 497 Y CA 0.494 58.548 58.100 -0.076 0.000 1.292 497 Y CB -0.706 37.764 38.460 0.017 0.000 1.070 497 Y HN 0.319 nan 8.280 nan 0.000 0.528 498 N N -0.744 117.965 118.700 0.014 0.000 2.135 498 N HA -0.176 4.564 4.740 -0.001 0.000 0.186 498 N C 1.919 177.398 175.510 -0.052 0.000 1.027 498 N CA 1.398 54.441 53.050 -0.011 0.000 0.849 498 N CB -0.571 37.907 38.487 -0.015 0.000 1.002 498 N HN 0.310 nan 8.380 nan 0.000 0.425 499 C N 0.764 120.004 119.300 -0.100 0.000 2.398 499 C HA -0.046 4.414 4.460 -0.001 0.000 0.276 499 C C 2.245 177.187 174.990 -0.081 0.000 1.222 499 C CA 0.822 59.774 59.018 -0.110 0.000 1.746 499 C CB -1.206 26.433 27.740 -0.167 0.000 2.039 499 C HN 0.422 nan 8.230 nan 0.000 0.470 500 L N 0.130 121.262 121.223 -0.153 0.000 2.395 500 L HA 0.051 4.390 4.340 -0.001 0.000 0.218 500 L C 0.922 177.747 176.870 -0.075 0.000 1.130 500 L CA 1.274 55.964 54.840 -0.249 0.000 0.826 500 L CB -0.536 41.054 42.059 -0.781 0.000 0.941 500 L HN 0.405 nan 8.230 nan 0.000 0.451 501 D N 0.150 120.550 120.400 -0.000 0.000 2.737 501 D HA -0.260 4.379 4.640 -0.001 0.000 0.238 501 D C -0.499 175.937 176.300 0.226 0.000 1.157 501 D CA 0.590 54.626 54.000 0.059 0.000 0.694 501 D CB -1.203 39.595 40.800 -0.004 0.000 1.021 501 D HN 0.178 nan 8.370 nan 0.000 0.420 502 F N 0.081 120.016 119.950 -0.025 0.000 2.458 502 F HA 0.475 5.001 4.527 -0.002 0.000 0.330 502 F C -1.428 174.334 175.800 -0.065 0.000 1.082 502 F CA -2.524 55.431 58.000 -0.076 0.000 0.995 502 F CB 1.912 40.918 39.000 0.010 0.000 1.170 502 F HN -0.118 nan 8.300 nan 0.000 0.478 503 P HA 0.154 nan 4.420 nan 0.000 0.268 503 P C -1.341 175.987 177.300 0.046 0.000 1.204 503 P CA 0.016 63.127 63.100 0.019 0.000 0.768 503 P CB 1.221 32.907 31.700 -0.023 0.000 0.842 504 A N 2.568 125.405 122.820 0.029 0.000 2.459 504 A HA 0.763 5.082 4.320 -0.001 0.000 0.296 504 A C -0.392 177.186 177.584 -0.009 0.000 1.039 504 A CA -0.422 51.611 52.037 -0.008 0.000 0.698 504 A CB 1.723 20.709 19.000 -0.024 0.000 1.261 504 A HN 0.609 nan 8.150 nan 0.000 0.405 505 G N -0.251 108.538 108.800 -0.019 0.000 2.680 505 G HA2 0.819 4.779 3.960 -0.001 0.000 0.290 505 G HA3 0.819 4.779 3.960 -0.001 0.000 0.290 505 G C -0.824 174.042 174.900 -0.057 0.000 1.355 505 G CA -0.047 45.035 45.100 -0.029 0.000 0.903 505 G HN 1.956 nan 8.290 nan 0.000 0.474 506 V N -2.207 117.671 119.914 -0.060 0.000 2.823 506 V HA 0.892 5.011 4.120 -0.001 0.000 0.312 506 V C -0.785 175.272 176.094 -0.062 0.000 1.072 506 V CA -1.057 61.200 62.300 -0.071 0.000 0.937 506 V CB 1.515 33.295 31.823 -0.071 0.000 1.013 506 V HN 0.666 nan 8.190 nan 0.000 0.430 507 V N 3.957 123.824 119.914 -0.077 0.000 2.638 507 V HA 0.538 4.657 4.120 -0.001 0.000 0.306 507 V C -2.608 173.452 176.094 -0.057 0.000 1.052 507 V CA -1.809 60.452 62.300 -0.066 0.000 0.885 507 V CB 2.371 34.133 31.823 -0.101 0.000 0.999 507 V HN 0.888 nan 8.190 nan 0.000 0.424 508 P HA 0.182 nan 4.420 nan 0.000 0.271 508 P C 0.408 177.685 177.300 -0.038 0.000 1.216 508 P CA 0.184 63.265 63.100 -0.031 0.000 0.771 508 P CB 1.031 32.729 31.700 -0.003 0.000 0.864 509 V N -0.269 119.616 119.914 -0.049 0.000 3.497 509 V HA 0.361 4.481 4.120 -0.001 0.000 0.272 509 V C 0.394 176.466 176.094 -0.038 0.000 1.474 509 V CA 0.579 62.851 62.300 -0.046 0.000 1.025 509 V CB 0.397 32.183 31.823 -0.061 0.000 0.820 509 V HN 0.570 nan 8.190 nan 0.000 0.437 510 T N 0.743 115.268 114.554 -0.047 0.000 2.718 510 T HA 0.607 4.956 4.350 -0.001 0.000 0.306 510 T C -0.976 173.681 174.700 -0.072 0.000 1.485 510 T CA 0.544 62.617 62.100 -0.045 0.000 0.997 510 T CB 1.865 70.709 68.868 -0.041 0.000 1.504 510 T HN 0.801 nan 8.240 nan 0.000 0.497 511 T N -0.537 113.979 114.554 -0.064 0.000 2.907 511 T HA 0.692 5.041 4.350 -0.001 0.000 0.292 511 T C -0.308 174.348 174.700 -0.074 0.000 1.043 511 T CA -0.721 61.321 62.100 -0.098 0.000 1.003 511 T CB 1.177 70.005 68.868 -0.067 0.000 1.084 511 T HN 0.493 nan 8.240 nan 0.000 0.483 512 V N 3.692 123.549 119.914 -0.094 0.000 2.557 512 V HA 0.264 4.384 4.120 -0.001 0.000 0.301 512 V C 1.455 177.527 176.094 -0.038 0.000 1.026 512 V CA 0.115 62.375 62.300 -0.068 0.000 1.137 512 V CB -0.183 31.589 31.823 -0.085 0.000 0.917 512 V HN 1.201 nan 8.190 nan 0.000 0.484 513 T N 2.550 117.089 114.554 -0.025 0.000 2.881 513 T HA 0.589 4.939 4.350 -0.001 0.000 0.278 513 T C 1.304 175.998 174.700 -0.010 0.000 0.982 513 T CA -0.141 61.952 62.100 -0.011 0.000 0.989 513 T CB 1.705 70.569 68.868 -0.006 0.000 1.058 513 T HN 0.702 nan 8.240 nan 0.000 0.529 514 A N 0.223 123.041 122.820 -0.003 0.000 1.908 514 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 514 A C 2.291 179.873 177.584 -0.002 0.000 1.181 514 A CA 1.804 53.840 52.037 -0.003 0.000 0.627 514 A CB -1.112 17.889 19.000 0.002 0.000 0.818 514 A HN 0.993 nan 8.150 nan 0.000 0.445 515 E N -0.364 119.836 120.200 0.000 0.000 2.031 515 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 515 E C 1.586 178.188 176.600 0.003 0.000 0.994 515 E CA 1.181 57.583 56.400 0.004 0.000 0.800 515 E CB -0.165 29.539 29.700 0.006 0.000 0.752 515 E HN 0.523 nan 8.360 nan 0.000 0.447 516 D N 0.533 120.932 120.400 -0.002 0.000 2.133 516 D HA -0.197 4.442 4.640 -0.001 0.000 0.192 516 D C 1.617 177.912 176.300 -0.009 0.000 1.001 516 D CA 1.418 55.415 54.000 -0.004 0.000 0.844 516 D CB -0.379 40.411 40.800 -0.017 0.000 0.944 516 D HN 0.156 nan 8.370 nan 0.000 0.447 517 D N -0.424 119.966 120.400 -0.017 0.000 2.097 517 D HA -0.017 4.622 4.640 -0.001 0.000 0.197 517 D C 1.968 178.260 176.300 -0.014 0.000 0.984 517 D CA 1.469 55.453 54.000 -0.025 0.000 0.826 517 D CB -0.055 40.728 40.800 -0.028 0.000 0.973 517 D HN 0.112 nan 8.370 nan 0.000 0.460 518 A N 0.358 123.175 122.820 -0.005 0.000 1.908 518 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 518 A C 2.015 179.606 177.584 0.012 0.000 1.181 518 A CA 1.480 53.518 52.037 0.002 0.000 0.627 518 A CB -0.671 18.332 19.000 0.005 0.000 0.818 518 A HN 0.330 nan 8.150 nan 0.000 0.445 519 Q N -1.030 118.781 119.800 0.017 0.000 2.437 519 Q HA -0.043 4.296 4.340 -0.001 0.000 0.210 519 Q C 1.672 177.704 176.000 0.054 0.000 0.972 519 Q CA 0.618 56.441 55.803 0.034 0.000 0.903 519 Q CB -0.300 28.460 28.738 0.037 0.000 0.967 519 Q HN 0.559 nan 8.270 nan 0.000 0.486 520 M N 0.659 120.280 119.600 0.035 0.000 2.346 520 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 520 M C 1.660 177.999 176.300 0.065 0.000 1.064 520 M CA 1.137 56.460 55.300 0.038 0.000 1.083 520 M CB -0.570 32.007 32.600 -0.039 0.000 1.399 520 M HN 0.142 nan 8.290 nan 0.000 0.435 521 E N 0.379 120.606 120.200 0.045 0.000 2.209 521 E HA -0.098 4.252 4.350 -0.001 0.000 0.196 521 E C 1.836 178.477 176.600 0.068 0.000 0.993 521 E CA 0.925 57.353 56.400 0.047 0.000 0.819 521 E CB -0.164 29.553 29.700 0.028 0.000 0.745 521 E HN 0.534 nan 8.360 nan 0.000 0.477 522 L N -0.392 120.877 121.223 0.077 0.000 2.592 522 L HA 0.074 4.413 4.340 -0.001 0.000 0.227 522 L C 0.636 177.555 176.870 0.081 0.000 1.127 522 L CA -0.355 54.523 54.840 0.064 0.000 0.884 522 L CB -0.142 41.944 42.059 0.045 0.000 1.065 522 L HN 0.006 nan 8.230 nan 0.000 0.457 523 Y N 1.849 122.143 120.300 -0.011 0.000 2.544 523 Y HA -0.057 4.493 4.550 -0.001 0.000 0.330 523 Y C 1.193 177.079 175.900 -0.022 0.000 1.136 523 Y CA 0.670 58.757 58.100 -0.021 0.000 1.417 523 Y CB 0.471 38.921 38.460 -0.017 0.000 1.229 523 Y HN -0.037 nan 8.280 nan 0.000 0.532 524 K N 4.092 124.283 120.400 -0.348 0.000 2.435 524 K HA 0.306 4.625 4.320 -0.001 0.000 0.199 524 K C 0.495 176.928 176.600 -0.278 0.000 1.153 524 K CA 0.428 56.596 56.287 -0.198 0.000 0.974 524 K CB 0.610 33.031 32.500 -0.133 0.000 0.997 524 K HN 0.974 nan 8.250 nan 0.000 0.547 525 G N 0.811 109.201 108.800 -0.683 0.000 2.787 525 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.685 525 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.685 525 G C -0.152 174.544 174.900 -0.340 0.000 1.437 525 G CA -0.454 44.359 45.100 -0.479 0.000 0.872 525 G HN 0.131 nan 8.290 nan 0.000 0.566 526 Y N -0.127 120.133 120.300 -0.067 0.000 2.475 526 Y HA 0.334 4.884 4.550 -0.001 0.000 0.289 526 Y C 2.391 178.051 175.900 -0.400 0.000 1.121 526 Y CA 1.314 59.267 58.100 -0.245 0.000 1.257 526 Y CB -0.075 38.189 38.460 -0.326 0.000 1.026 526 Y HN 0.463 nan 8.280 nan 0.000 0.555 527 F N -1.785 118.205 119.950 0.066 0.000 2.637 527 F HA 0.365 4.892 4.527 -0.001 0.000 0.284 527 F C 2.005 177.838 175.800 0.055 0.000 1.105 527 F CA 0.494 58.518 58.000 0.041 0.000 1.356 527 F CB -0.090 38.916 39.000 0.010 0.000 1.096 527 F HN -0.061 nan 8.300 nan 0.000 0.616 528 G N 1.577 110.513 108.800 0.227 0.000 2.179 528 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.257 528 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.257 528 G C -0.307 174.730 174.900 0.229 0.000 1.010 528 G CA 0.545 45.750 45.100 0.174 0.000 0.736 528 G HN 0.449 nan 8.290 nan 0.000 0.513 529 D N -1.055 119.470 120.400 0.209 0.000 2.506 529 D HA 0.514 5.154 4.640 -0.001 0.000 0.272 529 D C 1.505 177.743 176.300 -0.104 0.000 1.214 529 D CA -0.835 53.172 54.000 0.013 0.000 1.067 529 D CB 0.243 40.964 40.800 -0.133 0.000 1.117 529 D HN 0.075 nan 8.370 nan 0.000 0.578 530 I N -0.600 119.789 120.570 -0.302 0.000 2.264 530 I HA -0.186 3.983 4.170 -0.001 0.000 0.248 530 I C 1.310 177.464 176.117 0.063 0.000 1.111 530 I CA 1.212 62.419 61.300 -0.154 0.000 1.382 530 I CB -0.307 37.563 38.000 -0.218 0.000 1.060 530 I HN 0.418 nan 8.210 nan 0.000 0.418 531 W N 0.656 121.896 121.300 -0.101 0.000 2.388 531 W HA -0.130 4.529 4.660 -0.001 0.000 0.294 531 W C 2.365 178.889 176.519 0.007 0.000 1.212 531 W CA 0.811 58.114 57.345 -0.071 0.000 1.271 531 W CB -1.464 27.921 29.460 -0.125 0.000 1.126 531 W HN 0.188 nan 8.180 nan 0.000 0.535 532 D N -0.031 120.529 120.400 0.267 0.000 2.117 532 D HA -0.110 4.529 4.640 -0.001 0.000 0.198 532 D C 2.272 178.707 176.300 0.225 0.000 0.982 532 D CA 1.249 55.413 54.000 0.274 0.000 0.828 532 D CB -0.467 40.476 40.800 0.238 0.000 0.967 532 D HN 0.129 nan 8.370 nan 0.000 0.464 533 I N 0.843 121.502 120.570 0.147 0.000 2.252 533 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 533 I C 2.266 178.423 176.117 0.067 0.000 1.102 533 I CA 0.530 61.889 61.300 0.098 0.000 1.385 533 I CB 0.009 38.042 38.000 0.055 0.000 1.064 533 I HN -0.019 nan 8.210 nan 0.000 0.414 534 I N 0.131 120.742 120.570 0.069 0.000 2.252 534 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 534 I C 2.553 178.670 176.117 -0.000 0.000 1.102 534 I CA 1.520 62.839 61.300 0.032 0.000 1.385 534 I CB -0.919 37.108 38.000 0.046 0.000 1.064 534 I HN 0.249 nan 8.210 nan 0.000 0.414 535 L N 1.218 122.454 121.223 0.021 0.000 2.046 535 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 535 L C 2.625 179.378 176.870 -0.194 0.000 1.077 535 L CA 1.853 56.662 54.840 -0.052 0.000 0.747 535 L CB -0.674 41.394 42.059 0.015 0.000 0.896 535 L HN 0.144 nan 8.230 nan 0.000 0.432 536 K N -0.427 119.867 120.400 -0.178 0.000 2.020 536 K HA -0.290 4.029 4.320 -0.001 0.000 0.212 536 K C 2.342 178.863 176.600 -0.132 0.000 1.050 536 K CA 2.056 58.214 56.287 -0.215 0.000 0.929 536 K CB -0.208 32.311 32.500 0.033 0.000 0.714 536 K HN 0.247 nan 8.250 nan 0.000 0.443 537 K N -0.181 120.178 120.400 -0.068 0.000 2.057 537 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 537 K C 1.992 178.544 176.600 -0.081 0.000 1.049 537 K CA 1.197 57.449 56.287 -0.058 0.000 0.931 537 K CB -0.178 32.301 32.500 -0.034 0.000 0.714 537 K HN 0.276 nan 8.250 nan 0.000 0.440 538 A N 0.700 123.465 122.820 -0.092 0.000 1.972 538 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 538 A C 1.885 179.388 177.584 -0.135 0.000 1.169 538 A CA 1.414 53.389 52.037 -0.104 0.000 0.635 538 A CB -0.302 18.640 19.000 -0.098 0.000 0.810 538 A HN 0.340 nan 8.150 nan 0.000 0.446 539 M N -0.778 118.725 119.600 -0.161 0.000 2.495 539 M HA 0.097 4.576 4.480 -0.001 0.000 0.237 539 M C 0.180 176.391 176.300 -0.148 0.000 1.131 539 M CA 0.195 55.386 55.300 -0.182 0.000 1.032 539 M CB 0.160 32.628 32.600 -0.221 0.000 1.513 539 M HN 0.159 nan 8.290 nan 0.000 0.488 540 K N 1.540 121.869 120.400 -0.119 0.000 2.180 540 K HA 0.088 4.408 4.320 -0.001 0.000 0.251 540 K C 0.251 176.805 176.600 -0.076 0.000 1.014 540 K CA -0.122 56.114 56.287 -0.085 0.000 0.913 540 K CB 0.314 32.776 32.500 -0.063 0.000 1.008 540 K HN 0.179 nan 8.250 nan 0.000 0.490 541 N N 0.474 119.140 118.700 -0.057 0.000 2.780 541 N HA -0.140 4.599 4.740 -0.001 0.000 0.247 541 N C -0.873 174.606 175.510 -0.052 0.000 1.076 541 N CA 0.712 53.735 53.050 -0.044 0.000 0.688 541 N CB -1.287 37.177 38.487 -0.038 0.000 0.957 541 N HN 0.402 nan 8.380 nan 0.000 0.551 542 S N -0.772 114.891 115.700 -0.063 0.000 2.749 542 S HA 0.180 4.649 4.470 -0.001 0.000 0.246 542 S C 0.610 175.172 174.600 -0.064 0.000 1.023 542 S CA -0.351 57.801 58.200 -0.080 0.000 1.012 542 S CB 1.335 64.460 63.200 -0.124 0.000 0.942 542 S HN 0.204 nan 8.310 nan 0.000 0.531 543 V N 2.024 121.918 119.914 -0.034 0.000 2.599 543 V HA 0.350 4.469 4.120 -0.001 0.000 0.300 543 V C 1.528 177.624 176.094 0.003 0.000 1.034 543 V CA 1.336 63.624 62.300 -0.019 0.000 1.115 543 V CB 0.211 32.032 31.823 -0.004 0.000 0.934 543 V HN 0.676 nan 8.190 nan 0.000 0.485 544 G N 3.798 112.597 108.800 -0.002 0.000 2.217 544 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.246 544 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.246 544 G C 0.099 174.971 174.900 -0.047 0.000 0.990 544 G CA 0.045 45.172 45.100 0.045 0.000 0.627 544 G HN 0.552 nan 8.290 nan 0.000 0.522 545 L N 2.869 123.992 121.223 -0.167 0.000 2.417 545 L HA 0.377 4.716 4.340 -0.001 0.000 0.268 545 L C -1.307 175.245 176.870 -0.531 0.000 1.158 545 L CA -1.931 52.646 54.840 -0.437 0.000 0.819 545 L CB 0.757 42.631 42.059 -0.308 0.000 1.112 545 L HN 0.011 nan 8.230 nan 0.000 0.458 546 P HA 0.109 nan 4.420 nan 0.000 0.272 546 P C -1.012 176.123 177.300 -0.275 0.000 1.223 546 P CA -0.122 62.670 63.100 -0.513 0.000 0.784 546 P CB 1.335 32.697 31.700 -0.564 0.000 0.923 547 V N 1.303 121.117 119.914 -0.167 0.000 2.760 547 V HA 0.641 4.760 4.120 -0.001 0.000 0.309 547 V C 0.132 176.184 176.094 -0.070 0.000 1.077 547 V CA -0.728 61.513 62.300 -0.097 0.000 0.910 547 V CB 1.797 33.565 31.823 -0.091 0.000 1.008 547 V HN 0.823 nan 8.190 nan 0.000 0.424 548 A N 3.601 126.393 122.820 -0.047 0.000 2.313 548 A HA 1.020 5.339 4.320 -0.001 0.000 0.323 548 A C -0.444 177.098 177.584 -0.069 0.000 1.133 548 A CA -0.479 51.527 52.037 -0.052 0.000 0.847 548 A CB 2.018 20.998 19.000 -0.033 0.000 1.308 548 A HN 1.576 nan 8.150 nan 0.000 0.475 549 V N -1.794 118.067 119.914 -0.088 0.000 3.113 549 V HA 0.764 4.883 4.120 -0.001 0.000 0.316 549 V C -0.491 175.538 176.094 -0.108 0.000 1.125 549 V CA -0.731 61.506 62.300 -0.105 0.000 1.026 549 V CB 1.421 33.175 31.823 -0.114 0.000 1.080 549 V HN 1.034 nan 8.190 nan 0.000 0.444 550 Q N 0.396 120.136 119.800 -0.101 0.000 2.312 550 Q HA 0.612 4.951 4.340 -0.001 0.000 0.263 550 Q C -1.639 174.323 176.000 -0.063 0.000 0.995 550 Q CA -0.527 55.227 55.803 -0.083 0.000 0.853 550 Q CB 1.904 30.611 28.738 -0.051 0.000 1.300 550 Q HN 0.982 nan 8.270 nan 0.000 0.448 551 C N 3.529 122.800 119.300 -0.047 0.000 2.369 551 C HA 0.717 5.176 4.460 -0.001 0.000 0.322 551 C C -0.596 174.457 174.990 0.105 0.000 1.258 551 C CA -0.621 58.444 59.018 0.078 0.000 1.487 551 C CB 0.871 28.564 27.740 -0.079 0.000 2.165 551 C HN 0.645 nan 8.230 nan 0.000 0.483 552 V N 2.836 122.849 119.914 0.165 0.000 2.680 552 V HA 0.947 5.067 4.120 -0.001 0.000 0.309 552 V C 0.226 176.479 176.094 0.264 0.000 1.052 552 V CA -0.150 62.211 62.300 0.101 0.000 0.908 552 V CB 1.757 33.539 31.823 -0.067 0.000 1.001 552 V HN 1.094 nan 8.190 nan 0.000 0.431 553 A N 3.287 126.197 122.820 0.150 0.000 2.524 553 A HA 0.909 5.229 4.320 -0.001 0.000 0.286 553 A C -0.866 176.449 177.584 -0.447 0.000 1.203 553 A CA -0.818 51.247 52.037 0.047 0.000 0.736 553 A CB 1.071 20.090 19.000 0.032 0.000 1.322 553 A HN 0.717 nan 8.150 nan 0.000 0.424 554 L N 0.698 121.473 121.223 -0.747 0.000 2.472 554 L HA 0.268 4.607 4.340 -0.001 0.000 0.260 554 L C -2.028 174.394 176.870 -0.747 0.000 1.209 554 L CA -1.608 52.512 54.840 -1.200 0.000 0.817 554 L CB 0.253 41.718 42.059 -0.991 0.000 1.106 554 L HN 0.390 nan 8.230 nan 0.000 0.479 555 P HA -0.123 nan 4.420 nan 0.000 0.265 555 P C -0.815 176.308 177.300 -0.295 0.000 1.187 555 P CA 0.462 63.244 63.100 -0.531 0.000 0.766 555 P CB 0.098 31.532 31.700 -0.443 0.000 0.820 556 W N 0.152 121.388 121.300 -0.107 0.000 2.589 556 W HA -0.218 4.441 4.660 -0.002 0.000 0.272 556 W C 0.332 176.800 176.519 -0.086 0.000 1.060 556 W CA 0.234 57.533 57.345 -0.076 0.000 0.533 556 W CB -2.548 26.866 29.460 -0.078 0.000 2.084 556 W HN 0.465 nan 8.180 nan 0.000 1.371 557 Q N 0.139 119.942 119.800 0.006 0.000 2.465 557 Q HA 0.125 4.464 4.340 -0.001 0.000 0.361 557 Q C 1.069 177.071 176.000 0.003 0.000 0.957 557 Q CA -0.157 55.640 55.803 -0.011 0.000 1.065 557 Q CB 0.360 29.057 28.738 -0.068 0.000 1.274 557 Q HN 0.222 nan 8.270 nan 0.000 0.421 558 E N 1.001 121.220 120.200 0.032 0.000 2.110 558 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 558 E C 1.157 177.796 176.600 0.066 0.000 0.988 558 E CA 1.281 57.717 56.400 0.060 0.000 0.804 558 E CB 0.255 30.020 29.700 0.108 0.000 0.745 558 E HN 0.383 nan 8.360 nan 0.000 0.458 559 E N -0.033 120.158 120.200 -0.015 0.000 2.106 559 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 559 E C 1.793 178.443 176.600 0.083 0.000 0.984 559 E CA 0.509 56.870 56.400 -0.066 0.000 0.806 559 E CB -0.154 29.349 29.700 -0.328 0.000 0.750 559 E HN 0.113 nan 8.360 nan 0.000 0.458 560 L N 0.411 121.666 121.223 0.055 0.000 2.027 560 L HA -0.116 4.224 4.340 -0.001 0.000 0.206 560 L C 2.207 179.164 176.870 0.146 0.000 1.074 560 L CA 1.534 56.424 54.840 0.084 0.000 0.745 560 L CB -0.910 41.175 42.059 0.043 0.000 0.898 560 L HN 0.317 nan 8.230 nan 0.000 0.433 561 C N -0.439 118.942 119.300 0.135 0.000 2.398 561 C HA -0.226 4.233 4.460 -0.001 0.000 0.276 561 C C 2.814 177.926 174.990 0.204 0.000 1.222 561 C CA 1.426 60.552 59.018 0.179 0.000 1.746 561 C CB -1.119 26.690 27.740 0.115 0.000 2.039 561 C HN 0.608 nan 8.230 nan 0.000 0.470 562 L N 0.540 121.885 121.223 0.203 0.000 2.141 562 L HA -0.096 4.244 4.340 -0.001 0.000 0.209 562 L C 3.012 180.106 176.870 0.373 0.000 1.094 562 L CA 1.485 56.480 54.840 0.259 0.000 0.763 562 L CB -0.835 41.364 42.059 0.233 0.000 0.908 562 L HN 0.383 nan 8.230 nan 0.000 0.437 563 R N 0.365 121.073 120.500 0.348 0.000 2.092 563 R HA -0.203 4.137 4.340 -0.001 0.000 0.231 563 R C 2.239 178.654 176.300 0.191 0.000 1.119 563 R CA 1.656 57.884 56.100 0.212 0.000 0.970 563 R CB -0.512 29.867 30.300 0.133 0.000 0.864 563 R HN 0.376 nan 8.270 nan 0.000 0.440 564 F N 0.601 120.569 119.950 0.030 0.000 2.187 564 F HA -0.081 4.445 4.527 -0.001 0.000 0.295 564 F C 2.272 178.063 175.800 -0.016 0.000 1.091 564 F CA 0.862 58.844 58.000 -0.031 0.000 1.308 564 F CB -0.019 38.958 39.000 -0.038 0.000 1.030 564 F HN -0.086 nan 8.300 nan 0.000 0.487 565 M N 0.247 119.790 119.600 -0.096 0.000 2.108 565 M HA -0.254 4.226 4.480 -0.001 0.000 0.261 565 M C 2.330 178.579 176.300 -0.086 0.000 1.066 565 M CA 1.905 57.100 55.300 -0.175 0.000 1.107 565 M CB -0.598 31.974 32.600 -0.046 0.000 1.356 565 M HN 0.129 nan 8.290 nan 0.000 0.406 566 R N 0.452 120.974 120.500 0.036 0.000 2.091 566 R HA -0.221 4.118 4.340 -0.001 0.000 0.238 566 R C 2.001 178.298 176.300 -0.005 0.000 1.136 566 R CA 1.992 58.124 56.100 0.053 0.000 0.959 566 R CB -0.116 30.242 30.300 0.098 0.000 0.856 566 R HN 0.257 nan 8.270 nan 0.000 0.437 567 E N -0.138 120.053 120.200 -0.016 0.000 2.051 567 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 567 E C 1.855 178.415 176.600 -0.067 0.000 0.991 567 E CA 1.657 58.048 56.400 -0.015 0.000 0.799 567 E CB -0.107 29.604 29.700 0.018 0.000 0.748 567 E HN 0.187 nan 8.360 nan 0.000 0.449 568 V N 1.195 120.999 119.914 -0.184 0.000 2.287 568 V HA -0.281 3.839 4.120 -0.001 0.000 0.248 568 V C 2.490 178.518 176.094 -0.109 0.000 1.053 568 V CA 2.352 64.531 62.300 -0.201 0.000 1.027 568 V CB -0.699 30.899 31.823 -0.375 0.000 0.646 568 V HN 0.452 nan 8.190 nan 0.000 0.447 569 E N -0.180 119.967 120.200 -0.087 0.000 2.110 569 E HA -0.294 4.055 4.350 -0.001 0.000 0.193 569 E C 2.307 178.896 176.600 -0.018 0.000 0.988 569 E CA 1.426 57.801 56.400 -0.042 0.000 0.804 569 E CB -0.210 29.478 29.700 -0.021 0.000 0.745 569 E HN 0.616 nan 8.360 nan 0.000 0.458 570 Q N 0.752 120.545 119.800 -0.011 0.000 2.119 570 Q HA -0.140 4.199 4.340 -0.001 0.000 0.201 570 Q C 2.262 178.264 176.000 0.004 0.000 0.972 570 Q CA 1.102 56.907 55.803 0.003 0.000 0.847 570 Q CB -0.092 28.652 28.738 0.010 0.000 0.903 570 Q HN 0.438 nan 8.270 nan 0.000 0.433 571 L N -0.291 120.930 121.223 -0.002 0.000 2.131 571 L HA -0.096 4.243 4.340 -0.001 0.000 0.206 571 L C 2.433 179.300 176.870 -0.006 0.000 1.087 571 L CA 0.667 55.509 54.840 0.003 0.000 0.767 571 L CB -0.223 41.841 42.059 0.009 0.000 0.917 571 L HN 0.204 nan 8.230 nan 0.000 0.441 572 M N -1.212 118.377 119.600 -0.019 0.000 2.486 572 M HA 0.075 4.554 4.480 -0.001 0.000 0.264 572 M C 0.932 177.227 176.300 -0.009 0.000 1.125 572 M CA 0.822 56.110 55.300 -0.020 0.000 1.144 572 M CB -0.492 32.086 32.600 -0.037 0.000 1.353 572 M HN 0.256 nan 8.290 nan 0.000 0.466 573 T N -2.164 112.387 114.554 -0.005 0.000 3.542 573 T HA 0.313 4.662 4.350 -0.001 0.000 0.276 573 T C -2.087 172.620 174.700 0.012 0.000 1.412 573 T CA -1.337 60.767 62.100 0.007 0.000 1.664 573 T CB 0.958 69.833 68.868 0.011 0.000 0.863 573 T HN -0.082 nan 8.240 nan 0.000 0.661 574 P HA -0.302 nan 4.420 nan 0.000 0.221 574 P C 1.400 178.711 177.300 0.018 0.000 1.160 574 P CA 1.631 64.740 63.100 0.014 0.000 0.933 574 P CB 0.078 31.785 31.700 0.012 0.000 0.793 575 Q N -0.897 118.916 119.800 0.021 0.000 2.541 575 Q HA -0.042 4.297 4.340 -0.001 0.000 0.215 575 Q C 1.045 177.062 176.000 0.027 0.000 0.977 575 Q CA 0.740 56.557 55.803 0.023 0.000 0.934 575 Q CB -0.227 28.526 28.738 0.024 0.000 0.988 575 Q HN 0.310 nan 8.270 nan 0.000 0.521 576 K N 0.000 120.417 120.400 0.028 0.000 2.780 576 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 576 K CA 0.000 56.307 56.287 0.033 0.000 0.838 576 K CB 0.000 32.520 32.500 0.033 0.000 1.064 576 K HN 0.000 nan 8.250 nan 0.000 0.543