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 2vya_1_B 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 P 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 0.000 176.224 176.300 -0.127 0.000 0.893 34 R CA 0.000 55.955 56.100 -0.242 0.000 0.921 34 R CB 0.000 30.085 30.300 -0.358 0.000 0.687 35 Q N 0.307 120.070 119.800 -0.062 0.000 2.020 35 Q HA -0.056 4.283 4.340 -0.002 0.000 0.198 35 Q C 1.274 177.272 176.000 -0.004 0.000 0.974 35 Q CA 1.203 56.997 55.803 -0.014 0.000 0.829 35 Q CB -0.075 28.655 28.738 -0.013 0.000 0.894 35 Q HN 0.050 nan 8.270 nan 0.000 0.433 36 K N 0.964 121.350 120.400 -0.024 0.000 2.074 36 K HA -0.192 4.126 4.320 -0.002 0.000 0.209 36 K C 1.962 178.561 176.600 -0.000 0.000 1.048 36 K CA 1.467 57.744 56.287 -0.017 0.000 0.926 36 K CB -0.168 32.313 32.500 -0.031 0.000 0.713 36 K HN 0.198 nan 8.250 nan 0.000 0.444 37 A N 0.978 123.796 122.820 -0.003 0.000 1.930 37 A HA -0.114 4.205 4.320 -0.002 0.000 0.217 37 A C 2.194 179.900 177.584 0.204 0.000 1.175 37 A CA 1.138 53.225 52.037 0.084 0.000 0.627 37 A CB -0.339 18.667 19.000 0.010 0.000 0.815 37 A HN 0.295 nan 8.150 nan 0.000 0.443 38 R N -0.944 119.678 120.500 0.203 0.000 2.073 38 R HA -0.074 4.265 4.340 -0.002 0.000 0.229 38 R C 2.410 178.749 176.300 0.066 0.000 1.120 38 R CA 1.031 57.230 56.100 0.165 0.000 0.967 38 R CB -0.526 29.864 30.300 0.151 0.000 0.862 38 R HN 0.534 nan 8.270 nan 0.000 0.436 39 G N 0.467 109.293 108.800 0.043 0.000 2.421 39 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.216 39 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.216 39 G C 1.505 176.408 174.900 0.004 0.000 1.171 39 G CA 0.864 45.975 45.100 0.019 0.000 0.775 39 G HN 0.420 nan 8.290 nan 0.000 0.543 40 A N 1.144 123.963 122.820 -0.000 0.000 1.933 40 A HA 0.232 4.550 4.320 -0.002 0.000 0.218 40 A C 2.822 180.365 177.584 -0.067 0.000 1.175 40 A CA 2.335 54.355 52.037 -0.028 0.000 0.628 40 A CB -0.797 18.185 19.000 -0.030 0.000 0.814 40 A HN 0.823 nan 8.150 nan 0.000 0.444 41 A N -0.821 121.968 122.820 -0.052 0.000 1.877 41 A HA -0.104 4.215 4.320 -0.002 0.000 0.216 41 A C 2.328 179.864 177.584 -0.080 0.000 1.186 41 A CA 2.378 54.357 52.037 -0.096 0.000 0.620 41 A CB -1.330 17.632 19.000 -0.063 0.000 0.822 41 A HN 0.451 nan 8.150 nan 0.000 0.443 42 T N -0.572 113.962 114.554 -0.033 0.000 2.708 42 T HA -0.136 4.213 4.350 -0.002 0.000 0.266 42 T C 2.092 176.787 174.700 -0.008 0.000 1.037 42 T CA 1.521 63.612 62.100 -0.015 0.000 1.146 42 T CB -0.222 68.647 68.868 0.002 0.000 0.865 42 T HN 0.479 nan 8.240 nan 0.000 0.435 43 R N 0.839 121.333 120.500 -0.010 0.000 2.080 43 R HA -0.030 4.309 4.340 -0.002 0.000 0.236 43 R C 2.886 179.192 176.300 0.010 0.000 1.137 43 R CA 1.422 57.526 56.100 0.006 0.000 0.943 43 R CB -0.654 29.649 30.300 0.005 0.000 0.846 43 R HN 0.388 nan 8.270 nan 0.000 0.431 44 A N 0.894 123.677 122.820 -0.062 0.000 1.903 44 A HA -0.266 4.053 4.320 -0.002 0.000 0.219 44 A C 2.145 179.753 177.584 0.040 0.000 1.191 44 A CA 1.920 53.881 52.037 -0.128 0.000 0.638 44 A CB -0.474 18.166 19.000 -0.600 0.000 0.823 44 A HN 0.193 nan 8.150 nan 0.000 0.451 45 R N -0.120 120.378 120.500 -0.004 0.000 2.092 45 R HA -0.136 4.202 4.340 -0.002 0.000 0.231 45 R C 2.563 178.930 176.300 0.111 0.000 1.119 45 R CA 1.736 57.882 56.100 0.077 0.000 0.970 45 R CB -0.327 29.989 30.300 0.026 0.000 0.864 45 R HN 0.910 nan 8.270 nan 0.000 0.440 46 Q N -0.133 119.718 119.800 0.085 0.000 2.187 46 Q HA -0.076 4.262 4.340 -0.002 0.000 0.199 46 Q C 1.438 177.506 176.000 0.115 0.000 0.957 46 Q CA 0.975 56.830 55.803 0.087 0.000 0.857 46 Q CB -0.108 28.666 28.738 0.061 0.000 0.929 46 Q HN 0.170 nan 8.270 nan 0.000 0.453 47 K N 1.039 121.523 120.400 0.140 0.000 2.026 47 K HA -0.214 4.105 4.320 -0.002 0.000 0.208 47 K C 2.270 178.988 176.600 0.196 0.000 1.048 47 K CA 1.777 58.164 56.287 0.167 0.000 0.929 47 K CB -0.135 32.484 32.500 0.199 0.000 0.713 47 K HN 0.329 nan 8.250 nan 0.000 0.439 48 Q N 1.120 121.073 119.800 0.255 0.000 2.096 48 Q HA -0.223 4.116 4.340 -0.002 0.000 0.204 48 Q C 2.236 178.332 176.000 0.160 0.000 0.982 48 Q CA 1.498 57.425 55.803 0.208 0.000 0.850 48 Q CB -0.004 28.909 28.738 0.291 0.000 0.901 48 Q HN 0.186 nan 8.270 nan 0.000 0.422 49 R N -0.378 120.212 120.500 0.150 0.000 2.081 49 R HA -0.154 4.185 4.340 -0.002 0.000 0.235 49 R C 2.174 178.556 176.300 0.136 0.000 1.131 49 R CA 1.397 57.574 56.100 0.129 0.000 0.960 49 R CB -0.333 30.030 30.300 0.104 0.000 0.856 49 R HN 0.340 nan 8.270 nan 0.000 0.436 50 A N -0.193 122.705 122.820 0.130 0.000 1.902 50 A HA -0.130 4.189 4.320 -0.002 0.000 0.217 50 A C 2.221 179.896 177.584 0.152 0.000 1.181 50 A CA 1.806 53.917 52.037 0.125 0.000 0.623 50 A CB -0.674 18.393 19.000 0.111 0.000 0.818 50 A HN 0.403 nan 8.150 nan 0.000 0.443 51 S N -0.314 115.493 115.700 0.179 0.000 2.359 51 S HA -0.162 4.307 4.470 -0.002 0.000 0.223 51 S C 1.836 176.550 174.600 0.189 0.000 1.039 51 S CA 1.681 60.021 58.200 0.233 0.000 1.042 51 S CB -0.440 62.905 63.200 0.241 0.000 0.915 51 S HN 0.374 nan 8.310 nan 0.000 0.439 52 L N 1.971 123.314 121.223 0.199 0.000 2.043 52 L HA -0.110 4.229 4.340 -0.002 0.000 0.212 52 L C 2.531 179.542 176.870 0.235 0.000 1.075 52 L CA 1.649 56.667 54.840 0.298 0.000 0.752 52 L CB -1.261 40.987 42.059 0.315 0.000 0.891 52 L HN 0.227 nan 8.230 nan 0.000 0.432 53 E N -0.489 119.810 120.200 0.165 0.000 2.038 53 E HA -0.184 4.164 4.350 -0.002 0.000 0.195 53 E C 2.117 178.704 176.600 -0.021 0.000 1.000 53 E CA 1.910 58.353 56.400 0.072 0.000 0.803 53 E CB -0.375 29.374 29.700 0.081 0.000 0.750 53 E HN 0.493 nan 8.360 nan 0.000 0.448 54 T N 1.490 116.061 114.554 0.029 0.000 2.665 54 T HA -0.185 4.163 4.350 -0.002 0.000 0.268 54 T C 2.088 176.696 174.700 -0.154 0.000 1.035 54 T CA 1.704 63.817 62.100 0.022 0.000 1.151 54 T CB -0.227 68.759 68.868 0.197 0.000 0.862 54 T HN 0.145 nan 8.240 nan 0.000 0.438 55 M N 0.848 120.267 119.600 -0.302 0.000 2.080 55 M HA -0.145 4.333 4.480 -0.002 0.000 0.260 55 M C 2.329 178.338 176.300 -0.484 0.000 1.068 55 M CA 1.771 56.767 55.300 -0.507 0.000 1.109 55 M CB -0.444 31.947 32.600 -0.348 0.000 1.342 55 M HN 0.155 nan 8.290 nan 0.000 0.405 56 D N 0.489 120.512 120.400 -0.627 0.000 2.087 56 D HA -0.161 4.478 4.640 -0.002 0.000 0.192 56 D C 1.782 177.790 176.300 -0.486 0.000 0.993 56 D CA 1.628 55.084 54.000 -0.906 0.000 0.828 56 D CB -0.028 40.198 40.800 -0.957 0.000 0.968 56 D HN 0.181 nan 8.370 nan 0.000 0.448 57 K N 0.035 120.257 120.400 -0.297 0.000 2.059 57 K HA -0.220 4.099 4.320 -0.002 0.000 0.212 57 K C 2.197 178.693 176.600 -0.174 0.000 1.050 57 K CA 1.507 57.684 56.287 -0.184 0.000 0.927 57 K CB -0.337 32.105 32.500 -0.098 0.000 0.714 57 K HN 0.180 nan 8.250 nan 0.000 0.447 58 A N 1.143 123.868 122.820 -0.159 0.000 1.865 58 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 58 A C 2.404 179.834 177.584 -0.256 0.000 1.191 58 A CA 2.215 54.169 52.037 -0.139 0.000 0.623 58 A CB -1.028 18.000 19.000 0.045 0.000 0.826 58 A HN 0.269 nan 8.150 nan 0.000 0.444 59 V N -2.263 117.517 119.914 -0.224 0.000 2.515 59 V HA -0.214 3.905 4.120 -0.002 0.000 0.250 59 V C 2.246 178.252 176.094 -0.146 0.000 1.058 59 V CA 2.637 64.833 62.300 -0.172 0.000 1.064 59 V CB -0.909 30.812 31.823 -0.169 0.000 0.675 59 V HN 0.505 nan 8.190 nan 0.000 0.461 60 Q N 0.690 120.369 119.800 -0.201 0.000 2.172 60 Q HA -0.067 4.272 4.340 -0.002 0.000 0.200 60 Q C 2.434 178.352 176.000 -0.136 0.000 0.964 60 Q CA 1.992 57.696 55.803 -0.165 0.000 0.855 60 Q CB -0.380 28.242 28.738 -0.192 0.000 0.918 60 Q HN 0.769 nan 8.270 nan 0.000 0.444 61 R N -1.155 119.252 120.500 -0.154 0.000 2.090 61 R HA -0.098 4.241 4.340 -0.002 0.000 0.228 61 R C 1.909 178.110 176.300 -0.164 0.000 1.110 61 R CA 1.046 57.058 56.100 -0.147 0.000 0.973 61 R CB -0.359 29.854 30.300 -0.144 0.000 0.869 61 R HN 0.335 nan 8.270 nan 0.000 0.440 62 F N 1.505 121.237 119.950 -0.364 0.000 2.102 62 F HA -0.084 4.442 4.527 -0.002 0.000 0.298 62 F C 2.106 177.797 175.800 -0.182 0.000 1.105 62 F CA 1.570 59.360 58.000 -0.349 0.000 1.239 62 F CB -0.030 38.652 39.000 -0.531 0.000 0.991 62 F HN -0.087 nan 8.300 nan 0.000 0.474 63 R N -0.378 120.063 120.500 -0.098 0.000 2.115 63 R HA -0.139 4.199 4.340 -0.002 0.000 0.230 63 R C 2.018 178.203 176.300 -0.192 0.000 1.111 63 R CA 1.158 57.182 56.100 -0.128 0.000 0.976 63 R CB -0.533 29.750 30.300 -0.029 0.000 0.870 63 R HN 0.266 nan 8.270 nan 0.000 0.445 64 L N 0.714 121.833 121.223 -0.173 0.000 2.046 64 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 64 L C 2.157 178.914 176.870 -0.189 0.000 1.077 64 L CA 1.760 56.509 54.840 -0.151 0.000 0.747 64 L CB -0.820 41.166 42.059 -0.122 0.000 0.896 64 L HN 0.065 nan 8.230 nan 0.000 0.432 65 Q N -0.353 119.288 119.800 -0.266 0.000 2.297 65 Q HA 0.041 4.380 4.340 -0.002 0.000 0.204 65 Q C 0.273 176.076 176.000 -0.329 0.000 0.962 65 Q CA 0.742 56.378 55.803 -0.278 0.000 0.879 65 Q CB -0.009 28.552 28.738 -0.295 0.000 0.947 65 Q HN 0.524 nan 8.270 nan 0.000 0.462 66 N N 0.131 118.571 118.700 -0.433 0.000 2.723 66 N HA 0.150 4.889 4.740 -0.002 0.000 0.290 66 N C -2.339 173.038 175.510 -0.222 0.000 1.882 66 N CA -0.763 52.060 53.050 -0.379 0.000 0.851 66 N CB 1.422 39.517 38.487 -0.653 0.000 1.234 66 N HN 0.110 nan 8.380 nan 0.000 0.491 67 P HA -0.021 nan 4.420 nan 0.000 0.233 67 P C -0.046 177.217 177.300 -0.062 0.000 1.167 67 P CA 1.052 64.094 63.100 -0.096 0.000 0.770 67 P CB 0.245 31.895 31.700 -0.083 0.000 0.837 68 D N -1.765 118.599 120.400 -0.060 0.000 2.469 68 D HA 0.107 4.746 4.640 -0.002 0.000 0.215 68 D C 0.429 176.718 176.300 -0.019 0.000 1.154 68 D CA -0.561 53.418 54.000 -0.035 0.000 0.832 68 D CB -0.623 40.156 40.800 -0.034 0.000 1.008 68 D HN 0.019 nan 8.370 nan 0.000 0.506 69 L N 1.428 122.643 121.223 -0.014 0.000 2.416 69 L HA 0.305 4.644 4.340 -0.002 0.000 0.272 69 L C -0.334 176.548 176.870 0.020 0.000 1.161 69 L CA -0.122 54.730 54.840 0.021 0.000 0.845 69 L CB 0.890 42.990 42.059 0.068 0.000 1.119 69 L HN -0.137 nan 8.230 nan 0.000 0.464 70 D N 1.944 122.356 120.400 0.019 0.000 2.453 70 D HA 0.113 4.751 4.640 -0.002 0.000 0.223 70 D C 1.008 177.308 176.300 0.000 0.000 1.183 70 D CA 0.473 54.477 54.000 0.006 0.000 0.933 70 D CB 0.698 41.500 40.800 0.003 0.000 1.038 70 D HN 0.706 nan 8.370 nan 0.000 0.513 71 S N 2.447 118.143 115.700 -0.007 0.000 2.428 71 S HA -0.123 4.345 4.470 -0.002 0.000 0.230 71 S C 1.530 176.088 174.600 -0.071 0.000 1.014 71 S CA 0.413 58.591 58.200 -0.036 0.000 0.957 71 S CB -0.099 63.081 63.200 -0.032 0.000 0.784 71 S HN 0.516 nan 8.310 nan 0.000 0.499 72 E N 2.008 122.177 120.200 -0.052 0.000 2.058 72 E HA -0.098 4.251 4.350 -0.002 0.000 0.194 72 E C 2.424 178.994 176.600 -0.051 0.000 0.997 72 E CA 1.184 57.550 56.400 -0.056 0.000 0.801 72 E CB -0.417 29.260 29.700 -0.038 0.000 0.746 72 E HN 0.701 nan 8.360 nan 0.000 0.450 73 A N 1.533 124.335 122.820 -0.031 0.000 1.898 73 A HA -0.136 4.183 4.320 -0.002 0.000 0.216 73 A C 2.143 179.716 177.584 -0.017 0.000 1.181 73 A CA 0.767 52.794 52.037 -0.017 0.000 0.620 73 A CB -0.442 18.556 19.000 -0.004 0.000 0.819 73 A HN 0.187 nan 8.150 nan 0.000 0.442 74 L N 0.045 121.251 121.223 -0.028 0.000 2.017 74 L HA -0.084 4.255 4.340 -0.002 0.000 0.208 74 L C 2.267 179.100 176.870 -0.063 0.000 1.073 74 L CA 1.878 56.704 54.840 -0.024 0.000 0.745 74 L CB -1.211 40.832 42.059 -0.028 0.000 0.894 74 L HN 0.443 nan 8.230 nan 0.000 0.432 75 L N -0.506 120.610 121.223 -0.179 0.000 2.201 75 L HA -0.150 4.189 4.340 -0.002 0.000 0.212 75 L C 2.140 178.946 176.870 -0.107 0.000 1.105 75 L CA 1.494 56.134 54.840 -0.333 0.000 0.775 75 L CB -0.661 41.145 42.059 -0.422 0.000 0.913 75 L HN 0.421 nan 8.230 nan 0.000 0.440 76 T N -3.394 111.131 114.554 -0.048 0.000 3.060 76 T HA 0.192 4.541 4.350 -0.002 0.000 0.249 76 T C 0.772 175.490 174.700 0.030 0.000 1.079 76 T CA -0.297 61.801 62.100 -0.002 0.000 1.013 76 T CB -0.136 68.724 68.868 -0.015 0.000 0.975 76 T HN 0.004 nan 8.240 nan 0.000 0.518 77 L N 2.674 123.920 121.223 0.039 0.000 2.525 77 L HA 0.244 4.582 4.340 -0.002 0.000 0.278 77 L C -2.051 174.860 176.870 0.069 0.000 1.218 77 L CA -1.782 53.088 54.840 0.051 0.000 0.878 77 L CB 0.208 42.299 42.059 0.054 0.000 1.127 77 L HN 0.080 nan 8.230 nan 0.000 0.492 78 P HA -0.010 nan 4.420 nan 0.000 0.271 78 P C 0.461 177.790 177.300 0.048 0.000 1.218 78 P CA -0.521 62.611 63.100 0.054 0.000 0.780 78 P CB 0.700 32.427 31.700 0.045 0.000 0.901 79 L N 3.413 124.657 121.223 0.035 0.000 2.051 79 L HA -0.192 4.147 4.340 -0.002 0.000 0.214 79 L C 1.985 178.861 176.870 0.010 0.000 1.076 79 L CA 1.740 56.585 54.840 0.009 0.000 0.758 79 L CB -1.235 40.814 42.059 -0.016 0.000 0.890 79 L HN 0.391 nan 8.230 nan 0.000 0.433 80 L N -1.256 119.978 121.223 0.019 0.000 2.079 80 L HA -0.294 4.044 4.340 -0.002 0.000 0.210 80 L C 2.469 179.356 176.870 0.028 0.000 1.081 80 L CA 1.675 56.528 54.840 0.022 0.000 0.752 80 L CB -0.143 41.936 42.059 0.033 0.000 0.896 80 L HN 0.485 nan 8.230 nan 0.000 0.433 81 Q N -0.900 118.920 119.800 0.033 0.000 2.187 81 Q HA -0.186 4.152 4.340 -0.002 0.000 0.199 81 Q C 2.111 178.134 176.000 0.038 0.000 0.957 81 Q CA 0.969 56.793 55.803 0.035 0.000 0.857 81 Q CB -0.001 28.759 28.738 0.036 0.000 0.929 81 Q HN 0.404 nan 8.270 nan 0.000 0.453 82 L N 0.156 121.403 121.223 0.040 0.000 2.017 82 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 82 L C 2.129 179.018 176.870 0.033 0.000 1.073 82 L CA 1.393 56.258 54.840 0.042 0.000 0.745 82 L CB -0.402 41.686 42.059 0.048 0.000 0.894 82 L HN -0.003 nan 8.230 nan 0.000 0.432 83 V N -0.160 119.768 119.914 0.023 0.000 2.343 83 V HA -0.323 3.795 4.120 -0.002 0.000 0.247 83 V C 2.591 178.716 176.094 0.052 0.000 1.051 83 V CA 1.910 64.227 62.300 0.028 0.000 1.036 83 V CB -0.699 31.132 31.823 0.013 0.000 0.654 83 V HN 0.744 nan 8.190 nan 0.000 0.451 84 Q N 0.691 120.517 119.800 0.043 0.000 2.079 84 Q HA -0.186 4.153 4.340 -0.002 0.000 0.200 84 Q C 2.042 178.074 176.000 0.053 0.000 0.974 84 Q CA 1.894 57.724 55.803 0.045 0.000 0.840 84 Q CB -0.471 28.288 28.738 0.036 0.000 0.898 84 Q HN 0.494 nan 8.270 nan 0.000 0.430 85 K N -0.363 120.068 120.400 0.052 0.000 2.097 85 K HA -0.075 4.243 4.320 -0.002 0.000 0.205 85 K C 1.867 178.513 176.600 0.076 0.000 1.050 85 K CA 1.042 57.363 56.287 0.056 0.000 0.938 85 K CB -0.127 32.403 32.500 0.049 0.000 0.718 85 K HN 0.188 nan 8.250 nan 0.000 0.442 86 L N 1.358 122.634 121.223 0.089 0.000 2.046 86 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 86 L C 2.380 179.387 176.870 0.230 0.000 1.077 86 L CA 1.749 56.675 54.840 0.145 0.000 0.747 86 L CB -0.841 41.273 42.059 0.092 0.000 0.896 86 L HN 0.157 nan 8.230 nan 0.000 0.432 87 Q N -0.892 119.005 119.800 0.162 0.000 2.172 87 Q HA -0.113 4.226 4.340 -0.002 0.000 0.200 87 Q C 2.382 178.408 176.000 0.044 0.000 0.964 87 Q CA 1.486 57.346 55.803 0.095 0.000 0.855 87 Q CB -0.014 28.759 28.738 0.059 0.000 0.918 87 Q HN 0.632 nan 8.270 nan 0.000 0.444 88 S N -2.086 113.645 115.700 0.052 0.000 2.428 88 S HA 0.084 4.552 4.470 -0.002 0.000 0.230 88 S C 1.647 176.271 174.600 0.040 0.000 1.014 88 S CA 0.832 59.053 58.200 0.036 0.000 0.957 88 S CB -0.092 63.129 63.200 0.035 0.000 0.784 88 S HN 0.590 nan 8.310 nan 0.000 0.499 89 G N 1.110 109.951 108.800 0.068 0.000 2.213 89 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.236 89 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.236 89 G C 0.618 175.559 174.900 0.069 0.000 0.991 89 G CA 0.540 45.686 45.100 0.076 0.000 0.629 89 G HN 0.537 nan 8.290 nan 0.000 0.517 90 E N -0.339 119.895 120.200 0.058 0.000 2.147 90 E HA -0.044 4.305 4.350 -0.002 0.000 0.199 90 E C 0.845 177.481 176.600 0.060 0.000 1.005 90 E CA 0.840 57.271 56.400 0.051 0.000 0.810 90 E CB -0.069 29.657 29.700 0.044 0.000 0.736 90 E HN 0.573 nan 8.360 nan 0.000 0.460 91 L N 0.869 122.134 121.223 0.070 0.000 2.346 91 L HA 0.231 4.570 4.340 -0.002 0.000 0.276 91 L C -0.063 176.858 176.870 0.085 0.000 1.006 91 L CA -0.888 53.996 54.840 0.074 0.000 0.817 91 L CB 1.899 43.996 42.059 0.063 0.000 1.272 91 L HN 0.021 nan 8.230 nan 0.000 0.421 92 S N 1.652 117.408 115.700 0.094 0.000 2.580 92 S HA 0.291 4.760 4.470 -0.002 0.000 0.274 92 S C -2.026 172.599 174.600 0.042 0.000 1.329 92 S CA -1.103 57.155 58.200 0.095 0.000 1.036 92 S CB 1.205 64.483 63.200 0.131 0.000 0.919 92 S HN 0.405 nan 8.310 nan 0.000 0.515 93 P HA -0.075 nan 4.420 nan 0.000 0.218 93 P C 0.871 178.112 177.300 -0.098 0.000 1.148 93 P CA 1.128 64.138 63.100 -0.150 0.000 0.822 93 P CB 0.007 31.529 31.700 -0.298 0.000 0.784 94 E N 0.058 120.254 120.200 -0.008 0.000 2.077 94 E HA -0.129 4.220 4.350 -0.002 0.000 0.193 94 E C 2.181 178.771 176.600 -0.017 0.000 0.989 94 E CA 1.480 57.911 56.400 0.052 0.000 0.800 94 E CB -1.337 28.547 29.700 0.306 0.000 0.746 94 E HN 0.144 nan 8.360 nan 0.000 0.452 95 A N 0.847 123.739 122.820 0.121 0.000 1.865 95 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 95 A C 2.490 180.051 177.584 -0.038 0.000 1.191 95 A CA 2.011 54.139 52.037 0.152 0.000 0.623 95 A CB -1.028 18.107 19.000 0.225 0.000 0.826 95 A HN 0.247 nan 8.150 nan 0.000 0.444 96 V N -1.569 118.332 119.914 -0.022 0.000 2.488 96 V HA -0.108 4.011 4.120 -0.002 0.000 0.246 96 V C 2.103 178.148 176.094 -0.081 0.000 1.046 96 V CA 2.101 64.398 62.300 -0.004 0.000 1.053 96 V CB -0.561 31.279 31.823 0.027 0.000 0.679 96 V HN 0.521 nan 8.190 nan 0.000 0.458 97 F N 0.766 120.510 119.950 -0.342 0.000 2.069 97 F HA -0.153 4.373 4.527 -0.002 0.000 0.298 97 F C 1.916 177.372 175.800 -0.572 0.000 1.113 97 F CA 2.612 60.289 58.000 -0.539 0.000 1.214 97 F CB -0.340 38.215 39.000 -0.741 0.000 0.978 97 F HN 0.237 nan 8.300 nan 0.000 0.474 98 F N -0.282 119.338 119.950 -0.549 0.000 2.367 98 F HA -0.120 4.406 4.527 -0.002 0.000 0.298 98 F C 2.379 177.843 175.800 -0.559 0.000 1.094 98 F CA 1.184 58.756 58.000 -0.713 0.000 1.409 98 F CB -0.723 37.667 39.000 -1.017 0.000 1.064 98 F HN -0.120 nan 8.300 nan 0.000 0.528 99 T N -0.944 113.437 114.554 -0.287 0.000 2.708 99 T HA -0.230 4.118 4.350 -0.002 0.000 0.266 99 T C 1.554 176.103 174.700 -0.253 0.000 1.037 99 T CA 1.443 63.434 62.100 -0.181 0.000 1.146 99 T CB -0.534 68.258 68.868 -0.127 0.000 0.865 99 T HN 0.195 nan 8.240 nan 0.000 0.435 100 Y N 0.845 120.946 120.300 -0.331 0.000 2.293 100 Y HA 0.103 4.651 4.550 -0.002 0.000 0.291 100 Y C 2.220 177.873 175.900 -0.412 0.000 1.137 100 Y CA 0.425 58.315 58.100 -0.350 0.000 1.202 100 Y CB -0.257 37.943 38.460 -0.433 0.000 0.990 100 Y HN 0.120 nan 8.280 nan 0.000 0.537 101 L N -1.026 119.907 121.223 -0.484 0.000 2.046 101 L HA -0.172 4.166 4.340 -0.002 0.000 0.208 101 L C 2.365 179.165 176.870 -0.117 0.000 1.077 101 L CA 1.841 56.424 54.840 -0.427 0.000 0.747 101 L CB -1.008 40.664 42.059 -0.646 0.000 0.896 101 L HN 0.376 nan 8.230 nan 0.000 0.432 102 G N -0.170 108.563 108.800 -0.112 0.000 2.418 102 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.217 102 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.217 102 G C 1.614 176.555 174.900 0.068 0.000 1.158 102 G CA 1.022 46.114 45.100 -0.012 0.000 0.771 102 G HN 0.258 nan 8.290 nan 0.000 0.545 103 K N 1.014 121.407 120.400 -0.012 0.000 2.097 103 K HA 0.154 4.473 4.320 -0.002 0.000 0.206 103 K C 2.657 179.300 176.600 0.072 0.000 1.049 103 K CA 1.471 57.755 56.287 -0.005 0.000 0.933 103 K CB -0.551 31.877 32.500 -0.120 0.000 0.717 103 K HN 0.172 nan 8.250 nan 0.000 0.442 104 A N -0.316 122.582 122.820 0.129 0.000 1.933 104 A HA -0.165 4.154 4.320 -0.002 0.000 0.218 104 A C 2.095 179.776 177.584 0.163 0.000 1.175 104 A CA 1.542 53.687 52.037 0.181 0.000 0.628 104 A CB -1.083 18.114 19.000 0.328 0.000 0.814 104 A HN 0.682 nan 8.150 nan 0.000 0.444 105 W N 0.792 122.086 121.300 -0.010 0.000 2.381 105 W HA -0.098 4.561 4.660 -0.002 0.000 0.301 105 W C 2.000 178.504 176.519 -0.024 0.000 1.205 105 W CA 1.813 59.142 57.345 -0.026 0.000 1.285 105 W CB -0.118 29.311 29.460 -0.051 0.000 1.133 105 W HN 0.477 nan 8.180 nan 0.000 0.521 106 E N -0.115 120.151 120.200 0.110 0.000 2.017 106 E HA -0.266 4.082 4.350 -0.002 0.000 0.193 106 E C 2.247 178.768 176.600 -0.132 0.000 0.997 106 E CA 2.496 58.862 56.400 -0.056 0.000 0.804 106 E CB -0.860 28.870 29.700 0.050 0.000 0.757 106 E HN 0.251 nan 8.360 nan 0.000 0.448 107 V N 0.491 120.367 119.914 -0.065 0.000 2.594 107 V HA -0.242 3.877 4.120 -0.002 0.000 0.253 107 V C 1.865 177.904 176.094 -0.092 0.000 1.069 107 V CA 2.209 64.467 62.300 -0.069 0.000 1.082 107 V CB -0.675 31.129 31.823 -0.032 0.000 0.680 107 V HN 0.173 nan 8.190 nan 0.000 0.469 108 N N 0.891 119.520 118.700 -0.118 0.000 2.244 108 N HA -0.136 4.603 4.740 -0.002 0.000 0.183 108 N C 1.770 177.167 175.510 -0.189 0.000 1.016 108 N CA 1.596 54.564 53.050 -0.136 0.000 0.866 108 N CB -0.374 38.031 38.487 -0.137 0.000 0.980 108 N HN 0.582 nan 8.380 nan 0.000 0.430 109 K N -0.882 119.347 120.400 -0.284 0.000 2.103 109 K HA -0.066 4.253 4.320 -0.002 0.000 0.207 109 K C 1.835 178.338 176.600 -0.161 0.000 1.048 109 K CA 1.370 57.491 56.287 -0.276 0.000 0.930 109 K CB -0.297 31.988 32.500 -0.359 0.000 0.716 109 K HN 0.331 nan 8.250 nan 0.000 0.444 110 G N 0.357 109.080 108.800 -0.127 0.000 2.539 110 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.215 110 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.215 110 G C 1.527 176.394 174.900 -0.056 0.000 1.141 110 G CA 0.983 46.033 45.100 -0.083 0.000 0.806 110 G HN 0.397 nan 8.290 nan 0.000 0.533 111 T N -2.466 112.055 114.554 -0.055 0.000 3.034 111 T HA 0.080 4.429 4.350 -0.002 0.000 0.248 111 T C 1.137 175.826 174.700 -0.019 0.000 1.040 111 T CA 0.638 62.723 62.100 -0.024 0.000 1.107 111 T CB -0.113 68.748 68.868 -0.012 0.000 0.932 111 T HN 0.280 nan 8.240 nan 0.000 0.474 112 N N 0.439 119.116 118.700 -0.039 0.000 2.756 112 N HA -0.199 4.539 4.740 -0.002 0.000 0.248 112 N C 0.688 176.191 175.510 -0.012 0.000 1.062 112 N CA 0.659 53.694 53.050 -0.025 0.000 0.696 112 N CB -1.870 36.615 38.487 -0.004 0.000 0.946 112 N HN 0.794 nan 8.380 nan 0.000 0.548 113 C N -3.039 116.247 119.300 -0.024 0.000 2.674 113 C HA 0.483 4.942 4.460 -0.002 0.000 0.276 113 C C 1.027 175.986 174.990 -0.051 0.000 1.300 113 C CA -0.230 58.775 59.018 -0.021 0.000 1.732 113 C CB -0.762 26.972 27.740 -0.010 0.000 2.076 113 C HN 0.240 nan 8.230 nan 0.000 0.548 114 V N 3.278 123.155 119.914 -0.062 0.000 2.406 114 V HA 0.321 4.439 4.120 -0.002 0.000 0.272 114 V C 1.598 177.603 176.094 -0.149 0.000 1.043 114 V CA 1.037 63.285 62.300 -0.088 0.000 0.915 114 V CB 1.076 32.873 31.823 -0.042 0.000 0.988 114 V HN 0.685 nan 8.190 nan 0.000 0.466 115 T N 0.238 114.633 114.554 -0.265 0.000 3.044 115 T HA 0.151 4.499 4.350 -0.002 0.000 0.255 115 T C 0.712 175.182 174.700 -0.384 0.000 1.073 115 T CA 0.556 62.294 62.100 -0.604 0.000 1.125 115 T CB 0.380 68.623 68.868 -1.042 0.000 0.908 115 T HN 0.651 nan 8.240 nan 0.000 0.480 116 S N -0.391 115.219 115.700 -0.150 0.000 2.542 116 S HA 0.445 4.914 4.470 -0.002 0.000 0.276 116 S C -1.937 172.667 174.600 0.006 0.000 1.148 116 S CA -1.054 57.145 58.200 -0.001 0.000 0.886 116 S CB 1.166 64.417 63.200 0.085 0.000 1.109 116 S HN 0.433 nan 8.310 nan 0.000 0.458 117 Y N 5.258 125.543 120.300 -0.026 0.000 2.350 117 Y HA 0.564 5.113 4.550 -0.002 0.000 0.340 117 Y C -0.348 175.485 175.900 -0.112 0.000 1.006 117 Y CA -0.821 57.255 58.100 -0.041 0.000 1.166 117 Y CB 0.622 39.129 38.460 0.078 0.000 1.168 117 Y HN 0.631 nan 8.280 nan 0.000 0.502 118 L N 7.524 128.333 121.223 -0.689 0.000 2.454 118 L HA 0.064 4.403 4.340 -0.002 0.000 0.284 118 L C 1.333 177.695 176.870 -0.847 0.000 1.139 118 L CA -0.010 54.250 54.840 -0.966 0.000 0.911 118 L CB 0.256 41.547 42.059 -1.280 0.000 1.262 118 L HN 0.852 nan 8.230 nan 0.000 0.453 119 T N -2.974 111.304 114.554 -0.461 0.000 3.072 119 T HA -0.129 4.220 4.350 -0.002 0.000 0.266 119 T C 1.083 175.670 174.700 -0.187 0.000 1.127 119 T CA 0.749 62.604 62.100 -0.409 0.000 1.107 119 T CB -0.147 68.718 68.868 -0.005 0.000 0.910 119 T HN 0.672 nan 8.240 nan 0.000 0.513 120 D N 1.080 121.418 120.400 -0.102 0.000 2.358 120 D HA 0.004 4.643 4.640 -0.002 0.000 0.224 120 D C 1.700 177.967 176.300 -0.056 0.000 1.123 120 D CA -0.031 53.959 54.000 -0.017 0.000 0.833 120 D CB -0.841 39.999 40.800 0.067 0.000 0.946 120 D HN 0.661 nan 8.370 nan 0.000 0.505 121 C N -1.332 117.883 119.300 -0.143 0.000 2.562 121 C HA 0.275 4.734 4.460 -0.002 0.000 0.266 121 C C 1.999 176.780 174.990 -0.348 0.000 1.382 121 C CA -0.329 58.579 59.018 -0.183 0.000 1.742 121 C CB -0.740 26.918 27.740 -0.137 0.000 1.812 121 C HN 0.175 nan 8.230 nan 0.000 0.559 122 E N 1.499 121.549 120.200 -0.250 0.000 2.158 122 E HA -0.076 4.272 4.350 -0.002 0.000 0.191 122 E C 2.122 178.624 176.600 -0.163 0.000 0.982 122 E CA 1.580 57.820 56.400 -0.267 0.000 0.823 122 E CB -0.172 29.515 29.700 -0.022 0.000 0.766 122 E HN 0.663 nan 8.360 nan 0.000 0.468 123 T N 1.362 115.860 114.554 -0.093 0.000 2.652 123 T HA -0.255 4.093 4.350 -0.002 0.000 0.267 123 T C 1.912 176.557 174.700 -0.092 0.000 1.039 123 T CA 1.703 63.765 62.100 -0.063 0.000 1.153 123 T CB -0.297 68.551 68.868 -0.033 0.000 0.863 123 T HN 0.069 nan 8.240 nan 0.000 0.428 124 Q N 1.014 120.746 119.800 -0.112 0.000 2.112 124 Q HA -0.073 4.266 4.340 -0.002 0.000 0.206 124 Q C 2.138 178.036 176.000 -0.171 0.000 0.987 124 Q CA 1.391 57.123 55.803 -0.119 0.000 0.858 124 Q CB -0.956 27.719 28.738 -0.104 0.000 0.905 124 Q HN 0.492 nan 8.270 nan 0.000 0.420 125 L N 0.112 121.163 121.223 -0.286 0.000 2.010 125 L HA -0.285 4.053 4.340 -0.002 0.000 0.219 125 L C 2.264 179.024 176.870 -0.184 0.000 1.077 125 L CA 2.421 57.049 54.840 -0.353 0.000 0.773 125 L CB -0.871 40.871 42.059 -0.528 0.000 0.892 125 L HN 0.556 nan 8.230 nan 0.000 0.436 126 S N -2.154 113.476 115.700 -0.117 0.000 2.522 126 S HA -0.168 4.300 4.470 -0.002 0.000 0.227 126 S C 1.640 176.233 174.600 -0.012 0.000 0.986 126 S CA 0.622 58.797 58.200 -0.040 0.000 0.929 126 S CB 0.171 63.358 63.200 -0.022 0.000 0.769 126 S HN 0.422 nan 8.310 nan 0.000 0.529 127 Q N 1.142 120.924 119.800 -0.031 0.000 2.396 127 Q HA 0.510 4.848 4.340 -0.002 0.000 0.209 127 Q C 0.703 176.708 176.000 0.007 0.000 0.906 127 Q CA 0.413 56.208 55.803 -0.014 0.000 0.927 127 Q CB 0.102 28.820 28.738 -0.033 0.000 1.069 127 Q HN 0.671 nan 8.270 nan 0.000 0.523 128 A N 2.575 125.403 122.820 0.013 0.000 2.553 128 A HA 0.173 4.491 4.320 -0.002 0.000 0.258 128 A C -2.202 175.482 177.584 0.167 0.000 1.069 128 A CA -0.861 51.211 52.037 0.058 0.000 0.767 128 A CB -0.465 18.538 19.000 0.004 0.000 0.997 128 A HN 0.111 nan 8.150 nan 0.000 0.512 129 P HA 0.097 nan 4.420 nan 0.000 0.268 129 P C 0.847 178.149 177.300 0.004 0.000 1.204 129 P CA -0.244 62.876 63.100 0.033 0.000 0.768 129 P CB 0.555 32.253 31.700 -0.002 0.000 0.842 130 R N 2.021 122.412 120.500 -0.182 0.000 2.090 130 R HA -0.118 4.220 4.340 -0.002 0.000 0.228 130 R C 1.594 177.673 176.300 -0.368 0.000 1.110 130 R CA 1.481 57.249 56.100 -0.554 0.000 0.973 130 R CB -0.138 29.886 30.300 -0.460 0.000 0.869 130 R HN 0.525 nan 8.270 nan 0.000 0.440 131 Q N -0.233 119.470 119.800 -0.162 0.000 2.369 131 Q HA 0.038 4.377 4.340 -0.002 0.000 0.206 131 Q C 0.498 176.481 176.000 -0.029 0.000 0.963 131 Q CA 0.560 56.313 55.803 -0.084 0.000 0.894 131 Q CB -0.109 28.603 28.738 -0.042 0.000 0.965 131 Q HN 0.290 nan 8.270 nan 0.000 0.475 132 G N 0.028 108.830 108.800 0.002 0.000 2.224 132 G HA2 -0.027 3.931 3.960 -0.002 0.000 0.239 132 G HA3 -0.027 3.931 3.960 -0.002 0.000 0.239 132 G C 0.244 175.178 174.900 0.058 0.000 1.240 132 G CA -0.367 44.760 45.100 0.045 0.000 0.896 132 G HN 0.220 nan 8.290 nan 0.000 0.496 133 L N 1.798 123.038 121.223 0.028 0.000 2.362 133 L HA 0.067 4.406 4.340 -0.002 0.000 0.219 133 L C 2.158 179.035 176.870 0.012 0.000 1.134 133 L CA 1.119 55.966 54.840 0.012 0.000 0.807 133 L CB -0.205 41.843 42.059 -0.018 0.000 0.927 133 L HN 0.539 nan 8.230 nan 0.000 0.447 134 L N -2.038 119.195 121.223 0.018 0.000 3.110 134 L HA 0.154 4.493 4.340 -0.002 0.000 0.266 134 L C -0.107 176.770 176.870 0.013 0.000 1.257 134 L CA -0.626 54.211 54.840 -0.005 0.000 1.038 134 L CB -0.247 41.787 42.059 -0.042 0.000 1.395 134 L HN 0.052 nan 8.230 nan 0.000 0.566 135 Y N 1.700 121.972 120.300 -0.047 0.000 2.846 135 Y HA 0.109 4.657 4.550 -0.002 0.000 0.352 135 Y C 1.448 177.321 175.900 -0.045 0.000 1.298 135 Y CA 1.177 59.250 58.100 -0.045 0.000 1.634 135 Y CB 0.233 38.673 38.460 -0.033 0.000 1.214 135 Y HN 0.406 nan 8.280 nan 0.000 0.529 136 G N 3.587 111.978 108.800 -0.683 0.000 2.159 136 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.256 136 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.256 136 G C -0.368 174.351 174.900 -0.302 0.000 0.977 136 G CA 0.046 44.766 45.100 -0.634 0.000 0.652 136 G HN 0.726 nan 8.290 nan 0.000 0.531 137 V N 2.431 122.220 119.914 -0.210 0.000 2.455 137 V HA 0.403 4.522 4.120 -0.002 0.000 0.273 137 V C -1.533 174.476 176.094 -0.140 0.000 1.045 137 V CA -1.286 60.914 62.300 -0.167 0.000 0.976 137 V CB 1.330 33.075 31.823 -0.129 0.000 0.993 137 V HN 0.153 nan 8.190 nan 0.000 0.475 138 P HA 0.326 nan 4.420 nan 0.000 0.280 138 P C -0.954 176.373 177.300 0.046 0.000 1.244 138 P CA -0.126 62.923 63.100 -0.084 0.000 0.784 138 P CB 0.961 32.376 31.700 -0.474 0.000 0.913 139 V N 1.778 121.822 119.914 0.217 0.000 2.656 139 V HA 0.494 4.613 4.120 -0.002 0.000 0.307 139 V C 0.145 176.235 176.094 -0.007 0.000 1.051 139 V CA -0.783 61.565 62.300 0.081 0.000 0.893 139 V CB 1.817 33.616 31.823 -0.040 0.000 0.999 139 V HN 0.586 nan 8.190 nan 0.000 0.426 140 S N 4.543 120.150 115.700 -0.156 0.000 2.554 140 S HA 0.826 5.295 4.470 -0.002 0.000 0.278 140 S C -0.694 173.754 174.600 -0.253 0.000 1.242 140 S CA -0.711 57.271 58.200 -0.363 0.000 1.051 140 S CB 1.199 64.207 63.200 -0.320 0.000 0.986 140 S HN 0.560 nan 8.310 nan 0.000 0.502 141 L N 2.025 123.115 121.223 -0.222 0.000 2.333 141 L HA 0.500 4.838 4.340 -0.002 0.000 0.280 141 L C 0.288 177.192 176.870 0.058 0.000 1.004 141 L CA -0.887 53.876 54.840 -0.129 0.000 0.820 141 L CB 1.748 43.798 42.059 -0.014 0.000 1.247 141 L HN 0.747 nan 8.230 nan 0.000 0.416 142 K N 2.093 122.563 120.400 0.118 0.000 2.559 142 K HA -0.106 4.213 4.320 -0.002 0.000 0.279 142 K C 1.082 177.754 176.600 0.119 0.000 0.967 142 K CA 0.265 56.669 56.287 0.194 0.000 1.000 142 K CB 0.616 33.326 32.500 0.349 0.000 0.890 142 K HN 0.638 nan 8.250 nan 0.000 0.501 143 E N 2.038 122.165 120.200 -0.122 0.000 2.209 143 E HA -0.205 4.144 4.350 -0.002 0.000 0.196 143 E C 1.484 177.795 176.600 -0.481 0.000 0.993 143 E CA 1.560 57.632 56.400 -0.547 0.000 0.819 143 E CB -0.060 29.468 29.700 -0.287 0.000 0.745 143 E HN 0.786 nan 8.360 nan 0.000 0.477 144 C N -0.526 118.690 119.300 -0.139 0.000 2.562 144 C HA 0.193 4.651 4.460 -0.002 0.000 0.266 144 C C 0.956 175.887 174.990 -0.098 0.000 1.382 144 C CA -0.855 58.094 59.018 -0.114 0.000 1.742 144 C CB -1.728 25.925 27.740 -0.144 0.000 1.812 144 C HN -0.021 nan 8.230 nan 0.000 0.559 145 F N 2.945 122.913 119.950 0.029 0.000 2.466 145 F HA 0.283 4.809 4.527 -0.002 0.000 0.363 145 F C 1.199 177.142 175.800 0.239 0.000 1.109 145 F CA 0.246 58.325 58.000 0.131 0.000 1.161 145 F CB 0.096 39.185 39.000 0.149 0.000 1.117 145 F HN 0.025 nan 8.300 nan 0.000 0.539 146 S N 3.618 119.491 115.700 0.288 0.000 2.593 146 S HA -0.057 4.412 4.470 -0.002 0.000 0.300 146 S C -0.795 173.992 174.600 0.311 0.000 1.267 146 S CA 0.269 58.627 58.200 0.264 0.000 1.065 146 S CB -0.147 63.141 63.200 0.147 0.000 0.807 146 S HN 0.495 nan 8.310 nan 0.000 0.499 147 Y N 3.460 123.879 120.300 0.198 0.000 2.327 147 Y HA 0.286 4.834 4.550 -0.002 0.000 0.325 147 Y C 0.076 176.041 175.900 0.108 0.000 0.999 147 Y CA -0.862 57.283 58.100 0.074 0.000 1.195 147 Y CB 0.821 39.189 38.460 -0.153 0.000 1.132 147 Y HN 0.580 nan 8.280 nan 0.000 0.455 148 K N 4.063 124.398 120.400 -0.109 0.000 2.397 148 K HA -0.033 4.286 4.320 -0.002 0.000 0.263 148 K C 1.029 177.751 176.600 0.204 0.000 1.143 148 K CA 1.963 58.251 56.287 0.003 0.000 1.207 148 K CB -0.594 31.831 32.500 -0.124 0.000 0.804 148 K HN 1.160 nan 8.250 nan 0.000 0.494 149 G N 3.077 111.975 108.800 0.163 0.000 2.194 149 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.236 149 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.236 149 G C -0.171 174.739 174.900 0.016 0.000 0.987 149 G CA -0.013 45.143 45.100 0.094 0.000 0.635 149 G HN 0.779 nan 8.290 nan 0.000 0.520 150 H N 0.553 119.717 119.070 0.157 0.000 2.621 150 H HA 0.419 4.974 4.556 -0.002 0.000 0.360 150 H C -0.706 174.744 175.328 0.204 0.000 1.163 150 H CA -0.792 55.352 56.048 0.160 0.000 1.194 150 H CB 1.634 31.468 29.762 0.119 0.000 1.649 150 H HN 0.151 nan 8.280 nan 0.000 0.532 151 D N 0.473 121.058 120.400 0.309 0.000 2.357 151 D HA 0.080 4.718 4.640 -0.002 0.000 0.242 151 D C -0.171 176.282 176.300 0.255 0.000 1.153 151 D CA 0.176 54.321 54.000 0.241 0.000 0.918 151 D CB 0.898 41.828 40.800 0.216 0.000 1.181 151 D HN 0.277 nan 8.370 nan 0.000 0.435 152 S N -0.157 115.640 115.700 0.163 0.000 2.150 152 S HA 0.097 4.566 4.470 -0.002 0.000 0.171 152 S C 1.393 176.041 174.600 0.078 0.000 1.620 152 S CA -0.542 57.703 58.200 0.074 0.000 1.190 152 S CB 0.413 63.645 63.200 0.053 0.000 1.102 152 S HN 0.511 nan 8.310 nan 0.000 0.464 153 T N 0.298 114.927 114.554 0.125 0.000 2.833 153 T HA -0.069 4.280 4.350 -0.002 0.000 0.269 153 T C 1.174 175.909 174.700 0.058 0.000 1.054 153 T CA 0.718 62.885 62.100 0.113 0.000 1.135 153 T CB -0.715 68.273 68.868 0.200 0.000 0.869 153 T HN 0.603 nan 8.240 nan 0.000 0.466 154 L N 0.356 121.619 121.223 0.067 0.000 4.312 154 L HA -0.265 4.074 4.340 -0.002 0.000 0.427 154 L C 1.582 178.479 176.870 0.044 0.000 1.149 154 L CA 0.420 55.287 54.840 0.044 0.000 0.978 154 L CB -2.577 39.487 42.059 0.009 0.000 1.963 154 L HN 0.742 nan 8.230 nan 0.000 0.970 155 G N -1.635 107.211 108.800 0.076 0.000 2.212 155 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.266 155 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.266 155 G C 0.199 175.059 174.900 -0.068 0.000 0.978 155 G CA 0.354 45.468 45.100 0.024 0.000 0.632 155 G HN 0.177 nan 8.290 nan 0.000 0.537 156 L N 2.011 123.172 121.223 -0.104 0.000 2.305 156 L HA 0.405 4.744 4.340 -0.002 0.000 0.281 156 L C 2.122 178.923 176.870 -0.115 0.000 1.085 156 L CA 0.947 55.679 54.840 -0.181 0.000 0.813 156 L CB 0.981 42.889 42.059 -0.252 0.000 1.157 156 L HN 0.418 nan 8.230 nan 0.000 0.436 157 S N 3.986 119.623 115.700 -0.105 0.000 2.400 157 S HA -0.207 4.262 4.470 -0.002 0.000 0.232 157 S C 1.652 176.218 174.600 -0.057 0.000 1.025 157 S CA 1.309 59.470 58.200 -0.066 0.000 0.993 157 S CB -0.539 62.638 63.200 -0.039 0.000 0.808 157 S HN 0.706 nan 8.310 nan 0.000 0.478 158 L N -0.324 120.855 121.223 -0.073 0.000 2.362 158 L HA 0.173 4.512 4.340 -0.002 0.000 0.219 158 L C 1.408 178.261 176.870 -0.029 0.000 1.134 158 L CA 1.337 56.147 54.840 -0.051 0.000 0.807 158 L CB -0.549 41.472 42.059 -0.063 0.000 0.927 158 L HN 0.076 nan 8.230 nan 0.000 0.447 159 N N -0.024 118.659 118.700 -0.029 0.000 2.373 159 N HA 0.011 4.750 4.740 -0.002 0.000 0.181 159 N C 0.399 175.924 175.510 0.026 0.000 1.082 159 N CA 0.219 53.271 53.050 0.005 0.000 0.885 159 N CB -0.016 38.476 38.487 0.008 0.000 0.977 159 N HN 0.444 nan 8.380 nan 0.000 0.462 160 E N 0.538 120.743 120.200 0.009 0.000 2.373 160 E HA 0.197 4.546 4.350 -0.002 0.000 0.267 160 E C 0.477 177.094 176.600 0.029 0.000 1.032 160 E CA 0.170 56.584 56.400 0.022 0.000 0.889 160 E CB 0.463 30.152 29.700 -0.018 0.000 0.984 160 E HN 0.383 nan 8.360 nan 0.000 0.425 161 G N 4.590 113.418 108.800 0.047 0.000 2.249 161 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.273 161 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.273 161 G C 0.307 175.230 174.900 0.038 0.000 1.036 161 G CA 0.630 45.754 45.100 0.040 0.000 0.824 161 G HN 0.396 nan 8.290 nan 0.000 0.504 162 M N 0.759 120.389 119.600 0.051 0.000 2.693 162 M HA 0.203 4.682 4.480 -0.002 0.000 0.224 162 M C -2.485 173.854 176.300 0.066 0.000 1.149 162 M CA -1.267 54.062 55.300 0.048 0.000 0.622 162 M CB 1.223 33.848 32.600 0.043 0.000 1.443 162 M HN 0.039 nan 8.290 nan 0.000 0.431 163 P HA 0.071 nan 4.420 nan 0.000 0.269 163 P C 0.266 177.620 177.300 0.090 0.000 1.209 163 P CA 0.219 63.371 63.100 0.087 0.000 0.776 163 P CB 0.806 32.538 31.700 0.053 0.000 0.876 164 S N 1.011 116.788 115.700 0.129 0.000 2.566 164 S HA -0.025 4.443 4.470 -0.002 0.000 0.280 164 S C 0.942 175.589 174.600 0.079 0.000 1.343 164 S CA 0.047 58.316 58.200 0.115 0.000 1.036 164 S CB -0.142 63.159 63.200 0.168 0.000 0.866 164 S HN 0.418 nan 8.310 nan 0.000 0.526 165 E N 0.864 121.093 120.200 0.047 0.000 2.511 165 E HA 0.170 4.519 4.350 -0.002 0.000 0.209 165 E C -0.008 176.593 176.600 0.001 0.000 0.986 165 E CA -0.079 56.335 56.400 0.023 0.000 0.974 165 E CB 0.717 30.427 29.700 0.016 0.000 1.030 165 E HN 0.662 nan 8.360 nan 0.000 0.490 166 S N -0.274 115.424 115.700 -0.003 0.000 2.643 166 S HA 0.305 4.774 4.470 -0.002 0.000 0.270 166 S C -1.568 172.999 174.600 -0.055 0.000 1.166 166 S CA -1.107 57.068 58.200 -0.042 0.000 0.815 166 S CB 1.711 64.891 63.200 -0.034 0.000 1.139 166 S HN -0.199 nan 8.310 nan 0.000 0.472 167 D N 1.501 121.834 120.400 -0.112 0.000 2.302 167 D HA 0.440 5.079 4.640 -0.002 0.000 0.248 167 D C 0.758 177.046 176.300 -0.021 0.000 1.094 167 D CA -0.353 53.572 54.000 -0.126 0.000 0.897 167 D CB 0.850 41.512 40.800 -0.229 0.000 1.200 167 D HN 0.899 nan 8.370 nan 0.000 0.429 168 C N 0.311 119.642 119.300 0.051 0.000 2.727 168 C HA 0.119 4.577 4.460 -0.002 0.000 0.401 168 C C 2.231 177.262 174.990 0.067 0.000 1.294 168 C CA -0.940 58.129 59.018 0.086 0.000 2.134 168 C CB -0.204 27.636 27.740 0.167 0.000 2.724 168 C HN 0.501 nan 8.230 nan 0.000 0.677 169 V N 2.626 122.580 119.914 0.067 0.000 2.252 169 V HA -0.220 3.898 4.120 -0.002 0.000 0.249 169 V C 2.541 178.668 176.094 0.054 0.000 1.056 169 V CA 2.505 64.836 62.300 0.052 0.000 1.022 169 V CB -0.996 30.864 31.823 0.061 0.000 0.641 169 V HN 0.926 nan 8.190 nan 0.000 0.445 170 V N -0.473 119.502 119.914 0.102 0.000 2.282 170 V HA -0.267 3.852 4.120 -0.002 0.000 0.249 170 V C 2.434 178.553 176.094 0.041 0.000 1.057 170 V CA 2.220 64.577 62.300 0.095 0.000 1.032 170 V CB -0.428 31.514 31.823 0.198 0.000 0.645 170 V HN 0.417 nan 8.190 nan 0.000 0.447 171 V N -0.811 119.143 119.914 0.067 0.000 2.392 171 V HA -0.351 3.767 4.120 -0.002 0.000 0.249 171 V C 2.422 178.496 176.094 -0.032 0.000 1.059 171 V CA 2.190 64.501 62.300 0.018 0.000 1.051 171 V CB -0.635 31.223 31.823 0.057 0.000 0.658 171 V HN 0.603 nan 8.190 nan 0.000 0.455 172 Q N -0.772 119.006 119.800 -0.038 0.000 2.084 172 Q HA -0.194 4.144 4.340 -0.002 0.000 0.202 172 Q C 2.409 178.357 176.000 -0.086 0.000 0.978 172 Q CA 2.153 57.915 55.803 -0.069 0.000 0.844 172 Q CB -0.347 28.360 28.738 -0.053 0.000 0.898 172 Q HN 0.659 nan 8.270 nan 0.000 0.426 173 V N -0.390 119.486 119.914 -0.064 0.000 2.379 173 V HA -0.188 3.930 4.120 -0.002 0.000 0.245 173 V C 1.898 177.937 176.094 -0.090 0.000 1.044 173 V CA 1.254 63.502 62.300 -0.086 0.000 1.036 173 V CB -0.427 31.368 31.823 -0.046 0.000 0.664 173 V HN 0.368 nan 8.190 nan 0.000 0.453 174 L N -0.022 121.161 121.223 -0.067 0.000 2.051 174 L HA -0.272 4.067 4.340 -0.002 0.000 0.214 174 L C 2.880 179.707 176.870 -0.072 0.000 1.076 174 L CA 2.645 57.445 54.840 -0.067 0.000 0.758 174 L CB -0.732 41.290 42.059 -0.062 0.000 0.890 174 L HN 0.359 nan 8.230 nan 0.000 0.433 175 K N -0.040 120.313 120.400 -0.079 0.000 2.031 175 K HA -0.094 4.225 4.320 -0.002 0.000 0.205 175 K C 2.001 178.533 176.600 -0.114 0.000 1.049 175 K CA 1.001 57.237 56.287 -0.084 0.000 0.939 175 K CB -0.197 32.252 32.500 -0.085 0.000 0.717 175 K HN 0.230 nan 8.250 nan 0.000 0.438 176 L N 0.873 121.987 121.223 -0.182 0.000 2.450 176 L HA -0.156 4.183 4.340 -0.002 0.000 0.224 176 L C 1.941 178.683 176.870 -0.214 0.000 1.149 176 L CA 0.688 55.349 54.840 -0.298 0.000 0.816 176 L CB -0.107 41.560 42.059 -0.654 0.000 0.932 176 L HN 0.147 nan 8.230 nan 0.000 0.449 177 Q N -0.401 119.327 119.800 -0.120 0.000 2.247 177 Q HA 0.173 4.511 4.340 -0.002 0.000 0.204 177 Q C 1.261 177.258 176.000 -0.005 0.000 0.872 177 Q CA 0.587 56.362 55.803 -0.047 0.000 0.951 177 Q CB 0.679 29.390 28.738 -0.044 0.000 1.099 177 Q HN 0.343 nan 8.270 nan 0.000 0.501 178 G N -1.017 107.779 108.800 -0.006 0.000 2.195 178 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.246 178 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.246 178 G C 0.397 175.274 174.900 -0.038 0.000 0.984 178 G CA 0.113 45.242 45.100 0.048 0.000 0.633 178 G HN 0.656 nan 8.290 nan 0.000 0.525 179 A N -0.633 122.154 122.820 -0.056 0.000 2.366 179 A HA 0.660 4.978 4.320 -0.002 0.000 0.250 179 A C 0.490 178.029 177.584 -0.075 0.000 1.099 179 A CA 0.790 52.782 52.037 -0.076 0.000 0.794 179 A CB 0.863 19.827 19.000 -0.061 0.000 1.056 179 A HN 1.222 nan 8.150 nan 0.000 0.499 180 V N 2.226 122.109 119.914 -0.053 0.000 2.380 180 V HA 0.250 4.369 4.120 -0.002 0.000 0.268 180 V C -2.618 173.548 176.094 0.119 0.000 1.008 180 V CA -1.245 61.044 62.300 -0.019 0.000 0.823 180 V CB 0.943 32.701 31.823 -0.108 0.000 1.053 180 V HN 0.701 nan 8.190 nan 0.000 0.446 181 P HA 0.114 nan 4.420 nan 0.000 0.262 181 P C 0.124 177.459 177.300 0.058 0.000 1.199 181 P CA 0.258 63.394 63.100 0.060 0.000 0.763 181 P CB 0.214 31.945 31.700 0.051 0.000 0.790 182 F N 3.249 123.127 119.950 -0.120 0.000 2.789 182 F HA 0.353 4.879 4.527 -0.002 0.000 0.320 182 F C -0.238 175.491 175.800 -0.118 0.000 1.079 182 F CA -0.439 57.523 58.000 -0.064 0.000 1.205 182 F CB 0.036 39.151 39.000 0.192 0.000 1.046 182 F HN 0.067 nan 8.300 nan 0.000 0.586 183 V N -1.341 118.109 119.914 -0.773 0.000 2.888 183 V HA 0.500 4.618 4.120 -0.002 0.000 0.309 183 V C -1.073 174.767 176.094 -0.424 0.000 1.114 183 V CA -1.032 60.938 62.300 -0.550 0.000 0.940 183 V CB 1.131 32.609 31.823 -0.574 0.000 1.021 183 V HN 0.276 nan 8.190 nan 0.000 0.426 184 H N 2.130 120.990 119.070 -0.350 0.000 2.646 184 H HA 0.608 5.163 4.556 -0.002 0.000 0.325 184 H C 0.402 175.599 175.328 -0.219 0.000 1.075 184 H CA 0.252 56.151 56.048 -0.247 0.000 1.421 184 H CB 1.488 31.132 29.762 -0.197 0.000 1.461 184 H HN 1.017 nan 8.280 nan 0.000 0.525 185 T N 0.986 115.513 114.554 -0.045 0.000 2.918 185 T HA 0.165 4.514 4.350 -0.002 0.000 0.286 185 T C 0.337 174.997 174.700 -0.068 0.000 1.026 185 T CA -1.217 60.837 62.100 -0.078 0.000 1.031 185 T CB 1.613 70.443 68.868 -0.064 0.000 1.046 185 T HN 0.422 nan 8.240 nan 0.000 0.479 186 N N 0.309 118.974 118.700 -0.058 0.000 2.415 186 N HA 0.387 5.126 4.740 -0.002 0.000 0.248 186 N C -0.376 175.148 175.510 0.025 0.000 1.271 186 N CA -0.203 52.836 53.050 -0.018 0.000 0.913 186 N CB 0.592 39.089 38.487 0.017 0.000 1.129 186 N HN 0.821 nan 8.380 nan 0.000 0.444 187 V N -0.628 119.321 119.914 0.058 0.000 3.078 187 V HA 0.760 4.878 4.120 -0.002 0.000 0.311 187 V C -2.672 173.476 176.094 0.089 0.000 1.138 187 V CA -2.067 60.274 62.300 0.068 0.000 1.007 187 V CB 1.984 33.843 31.823 0.061 0.000 1.045 187 V HN 0.592 nan 8.190 nan 0.000 0.432 188 P HA 0.127 nan 4.420 nan 0.000 0.272 188 P C -0.651 176.727 177.300 0.129 0.000 1.230 188 P CA -0.094 63.066 63.100 0.101 0.000 0.788 188 P CB 0.511 32.266 31.700 0.091 0.000 0.949 189 Q N 1.696 121.582 119.800 0.142 0.000 2.239 189 Q HA 0.057 4.395 4.340 -0.002 0.000 0.286 189 Q C 0.555 176.676 176.000 0.201 0.000 1.102 189 Q CA 1.178 57.061 55.803 0.134 0.000 0.936 189 Q CB -0.424 28.405 28.738 0.152 0.000 1.127 189 Q HN 0.702 nan 8.270 nan 0.000 0.380 190 S N 3.272 119.037 115.700 0.110 0.000 2.931 190 S HA -0.301 4.167 4.470 -0.002 0.000 0.271 190 S C 0.621 175.397 174.600 0.292 0.000 1.309 190 S CA 1.302 59.604 58.200 0.169 0.000 1.181 190 S CB -1.862 61.510 63.200 0.285 0.000 1.435 190 S HN 1.028 nan 8.310 nan 0.000 0.670 191 M N -2.592 117.142 119.600 0.224 0.000 2.871 191 M HA -0.243 4.236 4.480 -0.002 0.000 0.174 191 M C 0.201 176.650 176.300 0.248 0.000 0.655 191 M CA 1.719 57.136 55.300 0.195 0.000 0.654 191 M CB -1.847 30.834 32.600 0.135 0.000 2.369 191 M HN 0.581 nan 8.290 nan 0.000 0.306 192 F N 1.302 121.375 119.950 0.206 0.000 2.980 192 F HA 0.486 5.012 4.527 -0.002 0.000 0.299 192 F C 0.549 176.436 175.800 0.145 0.000 1.211 192 F CA 0.355 58.444 58.000 0.148 0.000 1.328 192 F CB 0.429 39.472 39.000 0.070 0.000 1.154 192 F HN 0.048 nan 8.300 nan 0.000 0.528 193 S N 0.338 116.058 115.700 0.034 0.000 2.579 193 S HA 0.307 4.776 4.470 -0.002 0.000 0.272 193 S C -0.475 174.112 174.600 -0.021 0.000 1.141 193 S CA -0.527 57.670 58.200 -0.005 0.000 0.843 193 S CB 0.762 63.986 63.200 0.041 0.000 1.122 193 S HN 0.281 nan 8.310 nan 0.000 0.468 194 Y N 1.020 121.159 120.300 -0.268 0.000 2.658 194 Y HA 0.573 5.122 4.550 -0.002 0.000 0.276 194 Y C 0.131 175.910 175.900 -0.202 0.000 1.167 194 Y CA -0.878 57.001 58.100 -0.369 0.000 1.230 194 Y CB -0.262 37.610 38.460 -0.980 0.000 1.144 194 Y HN 0.470 nan 8.280 nan 0.000 0.529 195 D N -0.090 120.187 120.400 -0.205 0.000 2.564 195 D HA 0.359 4.998 4.640 -0.002 0.000 0.273 195 D C -0.785 175.506 176.300 -0.014 0.000 1.192 195 D CA -0.752 53.184 54.000 -0.107 0.000 1.080 195 D CB 2.157 42.880 40.800 -0.128 0.000 1.160 195 D HN 0.187 nan 8.370 nan 0.000 0.607 196 C N 1.413 120.721 119.300 0.014 0.000 3.493 196 C HA 0.591 5.050 4.460 -0.002 0.000 0.228 196 C C -0.922 174.097 174.990 0.047 0.000 1.227 196 C CA -0.239 58.804 59.018 0.042 0.000 1.291 196 C CB -1.502 26.269 27.740 0.052 0.000 1.820 196 C HN 0.368 nan 8.230 nan 0.000 0.547 197 S N 3.140 118.870 115.700 0.050 0.000 2.564 197 S HA 0.885 5.354 4.470 -0.002 0.000 0.274 197 S C -1.065 173.576 174.600 0.069 0.000 1.124 197 S CA -0.368 57.864 58.200 0.053 0.000 0.869 197 S CB 1.449 64.667 63.200 0.030 0.000 1.105 197 S HN 0.959 nan 8.310 nan 0.000 0.472 198 N N 1.666 120.404 118.700 0.064 0.000 2.591 198 N HA 0.541 5.279 4.740 -0.002 0.000 0.263 198 N C -2.870 172.639 175.510 -0.001 0.000 1.308 198 N CA -1.472 51.609 53.050 0.053 0.000 0.837 198 N CB 1.255 39.786 38.487 0.073 0.000 1.548 198 N HN 0.202 nan 8.380 nan 0.000 0.493 199 P HA -0.048 nan 4.420 nan 0.000 0.225 199 P C 0.722 177.938 177.300 -0.140 0.000 1.148 199 P CA 0.529 63.572 63.100 -0.096 0.000 0.779 199 P CB 0.234 31.907 31.700 -0.045 0.000 0.780 200 L N -1.866 119.246 121.223 -0.186 0.000 2.051 200 L HA 0.072 4.411 4.340 -0.002 0.000 0.202 200 L C 2.009 178.602 176.870 -0.462 0.000 1.097 200 L CA 1.822 56.406 54.840 -0.426 0.000 0.762 200 L CB -1.782 39.868 42.059 -0.682 0.000 0.913 200 L HN -0.075 nan 8.230 nan 0.000 0.447 201 F N -0.795 119.159 119.950 0.007 0.000 2.727 201 F HA 0.443 4.969 4.527 -0.002 0.000 0.302 201 F C 1.502 177.301 175.800 -0.002 0.000 1.097 201 F CA 0.298 58.303 58.000 0.009 0.000 1.330 201 F CB -0.142 38.869 39.000 0.019 0.000 1.084 201 F HN 0.269 nan 8.300 nan 0.000 0.578 202 G N 0.931 109.789 108.800 0.097 0.000 2.499 202 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.232 202 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.232 202 G C -0.681 174.257 174.900 0.063 0.000 1.251 202 G CA -0.445 44.686 45.100 0.051 0.000 0.917 202 G HN 0.316 nan 8.290 nan 0.000 0.580 203 Q N 0.374 120.199 119.800 0.041 0.000 2.333 203 Q HA 0.596 4.934 4.340 -0.002 0.000 0.268 203 Q C -0.435 175.584 176.000 0.032 0.000 1.007 203 Q CA -0.338 55.485 55.803 0.032 0.000 0.810 203 Q CB 1.162 29.908 28.738 0.013 0.000 1.264 203 Q HN 0.662 nan 8.270 nan 0.000 0.452 204 T N 4.334 118.911 114.554 0.039 0.000 2.909 204 T HA 0.463 4.811 4.350 -0.002 0.000 0.289 204 T C -0.042 174.681 174.700 0.038 0.000 1.005 204 T CA -0.147 61.974 62.100 0.035 0.000 1.084 204 T CB 0.692 69.585 68.868 0.041 0.000 0.975 204 T HN 0.578 nan 8.240 nan 0.000 0.509 205 M N 2.390 122.012 119.600 0.036 0.000 2.602 205 M HA 0.352 4.831 4.480 -0.002 0.000 0.312 205 M C 0.260 176.604 176.300 0.074 0.000 1.181 205 M CA -0.935 54.393 55.300 0.046 0.000 0.910 205 M CB 1.566 34.181 32.600 0.026 0.000 1.723 205 M HN 0.435 nan 8.290 nan 0.000 0.459 206 N N 3.389 122.149 118.700 0.100 0.000 2.452 206 N HA 0.096 4.835 4.740 -0.002 0.000 0.266 206 N C -1.887 173.714 175.510 0.151 0.000 1.209 206 N CA -0.978 52.169 53.050 0.161 0.000 0.929 206 N CB 1.058 39.648 38.487 0.173 0.000 1.063 206 N HN 0.364 nan 8.380 nan 0.000 0.472 207 P HA -0.054 nan 4.420 nan 0.000 0.230 207 P C 0.702 177.989 177.300 -0.022 0.000 1.158 207 P CA 0.971 64.083 63.100 0.020 0.000 0.769 207 P CB 0.029 31.695 31.700 -0.056 0.000 0.807 208 W N 0.887 122.194 121.300 0.012 0.000 2.523 208 W HA 0.187 4.846 4.660 -0.002 0.000 0.278 208 W C 1.094 177.609 176.519 -0.006 0.000 1.236 208 W CA 0.560 57.907 57.345 0.004 0.000 1.306 208 W CB 0.101 29.566 29.460 0.007 0.000 1.101 208 W HN -0.134 nan 8.180 nan 0.000 0.577 209 K N -0.100 120.431 120.400 0.219 0.000 2.589 209 K HA 0.098 4.417 4.320 -0.002 0.000 0.253 209 K C 0.714 177.354 176.600 0.067 0.000 0.974 209 K CA 0.150 56.504 56.287 0.111 0.000 0.835 209 K CB 1.239 33.794 32.500 0.092 0.000 1.272 209 K HN -0.141 nan 8.250 nan 0.000 0.444 210 S N 0.798 116.521 115.700 0.038 0.000 2.481 210 S HA -0.137 4.331 4.470 -0.002 0.000 0.231 210 S C 1.541 176.149 174.600 0.012 0.000 0.996 210 S CA 1.302 59.515 58.200 0.022 0.000 0.942 210 S CB -0.134 63.070 63.200 0.006 0.000 0.768 210 S HN 0.618 nan 8.310 nan 0.000 0.520 211 S N 0.816 116.520 115.700 0.007 0.000 2.489 211 S HA 0.159 4.628 4.470 -0.002 0.000 0.228 211 S C 0.660 175.252 174.600 -0.014 0.000 0.995 211 S CA -0.074 58.123 58.200 -0.007 0.000 0.934 211 S CB -0.245 62.947 63.200 -0.012 0.000 0.771 211 S HN 0.231 nan 8.310 nan 0.000 0.522 212 K N 2.191 122.588 120.400 -0.004 0.000 2.098 212 K HA 0.411 4.730 4.320 -0.002 0.000 0.261 212 K C -0.054 176.555 176.600 0.015 0.000 0.987 212 K CA -0.285 55.990 56.287 -0.019 0.000 0.916 212 K CB 1.506 33.988 32.500 -0.030 0.000 1.039 212 K HN 0.223 nan 8.250 nan 0.000 0.455 213 S N 2.283 117.989 115.700 0.011 0.000 2.564 213 S HA 0.153 4.622 4.470 -0.002 0.000 0.278 213 S C -1.529 173.182 174.600 0.184 0.000 1.333 213 S CA -1.133 57.114 58.200 0.078 0.000 1.048 213 S CB 0.452 63.698 63.200 0.077 0.000 0.900 213 S HN 0.331 nan 8.310 nan 0.000 0.505 214 P HA 0.228 nan 4.420 nan 0.000 0.249 214 P C 0.827 178.298 177.300 0.285 0.000 1.229 214 P CA 0.707 63.948 63.100 0.236 0.000 0.788 214 P CB -0.685 31.104 31.700 0.149 0.000 1.072 215 G N -0.841 108.146 108.800 0.311 0.000 2.760 215 G HA2 0.229 4.188 3.960 -0.002 0.000 0.246 215 G HA3 0.229 4.188 3.960 -0.002 0.000 0.246 215 G C -0.241 174.683 174.900 0.039 0.000 1.359 215 G CA -0.607 44.549 45.100 0.094 0.000 0.861 215 G HN 0.633 nan 8.290 nan 0.000 0.541 216 G N -2.761 106.047 108.800 0.013 0.000 2.342 216 G HA2 0.696 4.655 3.960 -0.002 0.000 0.297 216 G HA3 0.696 4.655 3.960 -0.002 0.000 0.297 216 G C 0.901 175.861 174.900 0.100 0.000 1.313 216 G CA 0.871 46.003 45.100 0.054 0.000 0.830 216 G HN 2.156 nan 8.290 nan 0.000 0.506 217 S N -0.863 114.888 115.700 0.085 0.000 2.507 217 S HA 0.018 4.487 4.470 -0.002 0.000 0.235 217 S C 1.432 176.074 174.600 0.069 0.000 0.988 217 S CA 1.392 59.633 58.200 0.068 0.000 0.944 217 S CB -0.001 63.240 63.200 0.068 0.000 0.762 217 S HN 0.675 nan 8.310 nan 0.000 0.526 218 S N 1.786 117.530 115.700 0.074 0.000 2.930 218 S HA 0.343 4.812 4.470 -0.002 0.000 0.257 218 S C 1.622 176.259 174.600 0.062 0.000 1.208 218 S CA 0.013 58.257 58.200 0.073 0.000 1.233 218 S CB -0.285 62.964 63.200 0.081 0.000 0.900 218 S HN 0.686 nan 8.310 nan 0.000 0.472 219 G N 2.409 111.245 108.800 0.061 0.000 2.421 219 G HA2 -0.096 3.863 3.960 -0.002 0.000 0.216 219 G HA3 -0.096 3.863 3.960 -0.002 0.000 0.216 219 G C 1.461 176.396 174.900 0.059 0.000 1.171 219 G CA 0.599 45.738 45.100 0.065 0.000 0.775 219 G HN 0.583 nan 8.290 nan 0.000 0.543 220 G N 0.892 109.717 108.800 0.041 0.000 2.574 220 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.220 220 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.220 220 G C 1.643 176.554 174.900 0.019 0.000 1.173 220 G CA 1.342 46.454 45.100 0.020 0.000 0.772 220 G HN 0.397 nan 8.290 nan 0.000 0.585 221 E N 0.665 120.878 120.200 0.021 0.000 2.118 221 E HA -0.094 4.255 4.350 -0.002 0.000 0.195 221 E C 2.757 179.383 176.600 0.044 0.000 0.992 221 E CA 1.032 57.443 56.400 0.017 0.000 0.804 221 E CB -0.839 28.872 29.700 0.018 0.000 0.741 221 E HN 0.395 nan 8.360 nan 0.000 0.458 222 G N 1.392 110.231 108.800 0.064 0.000 2.433 222 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.216 222 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.216 222 G C 1.776 176.745 174.900 0.114 0.000 1.186 222 G CA 1.535 46.693 45.100 0.097 0.000 0.779 222 G HN 0.406 nan 8.290 nan 0.000 0.543 223 A N 0.194 123.073 122.820 0.099 0.000 1.902 223 A HA 0.052 4.371 4.320 -0.002 0.000 0.217 223 A C 2.380 180.001 177.584 0.061 0.000 1.181 223 A CA 1.812 53.902 52.037 0.088 0.000 0.623 223 A CB -0.464 18.574 19.000 0.063 0.000 0.818 223 A HN 0.441 nan 8.150 nan 0.000 0.443 224 L N -0.118 121.132 121.223 0.046 0.000 2.023 224 L HA -0.022 4.317 4.340 -0.002 0.000 0.205 224 L C 2.264 179.175 176.870 0.068 0.000 1.073 224 L CA 1.706 56.572 54.840 0.043 0.000 0.745 224 L CB -0.485 41.584 42.059 0.018 0.000 0.900 224 L HN 0.425 nan 8.230 nan 0.000 0.435 225 I N -0.421 120.190 120.570 0.069 0.000 2.226 225 I HA -0.205 3.964 4.170 -0.002 0.000 0.245 225 I C 2.335 178.509 176.117 0.095 0.000 1.100 225 I CA 1.331 62.681 61.300 0.082 0.000 1.374 225 I CB -1.011 37.027 38.000 0.064 0.000 1.057 225 I HN 0.434 nan 8.210 nan 0.000 0.413 226 G N -0.024 108.841 108.800 0.108 0.000 2.509 226 G HA2 -0.165 3.793 3.960 -0.002 0.000 0.218 226 G HA3 -0.165 3.793 3.960 -0.002 0.000 0.218 226 G C 1.413 176.334 174.900 0.036 0.000 1.124 226 G CA 0.919 46.105 45.100 0.144 0.000 0.776 226 G HN 0.523 nan 8.290 nan 0.000 0.547 227 S N -1.481 114.219 115.700 0.000 0.000 2.578 227 S HA 0.448 4.916 4.470 -0.002 0.000 0.231 227 S C 1.480 176.058 174.600 -0.036 0.000 0.994 227 S CA 0.691 58.845 58.200 -0.077 0.000 0.956 227 S CB 0.500 63.652 63.200 -0.081 0.000 0.870 227 S HN 1.323 nan 8.310 nan 0.000 0.494 228 G N 0.594 109.411 108.800 0.030 0.000 2.157 228 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.239 228 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.239 228 G C 0.756 175.745 174.900 0.147 0.000 0.982 228 G CA -0.095 45.044 45.100 0.065 0.000 0.650 228 G HN 0.952 nan 8.290 nan 0.000 0.527 229 G N -0.728 108.175 108.800 0.171 0.000 3.042 229 G HA2 0.482 4.440 3.960 -0.002 0.000 0.212 229 G HA3 0.482 4.440 3.960 -0.002 0.000 0.212 229 G C 0.390 175.532 174.900 0.402 0.000 1.166 229 G CA 1.418 46.669 45.100 0.252 0.000 0.767 229 G HN 1.506 nan 8.290 nan 0.000 0.546 230 S N -0.367 115.516 115.700 0.305 0.000 2.543 230 S HA 0.521 4.990 4.470 -0.002 0.000 0.273 230 S C -2.369 172.221 174.600 -0.018 0.000 1.152 230 S CA -0.910 57.360 58.200 0.117 0.000 0.910 230 S CB 2.445 65.716 63.200 0.118 0.000 1.105 230 S HN -0.093 nan 8.310 nan 0.000 0.465 231 P HA 0.252 nan 4.420 nan 0.000 0.236 231 P C -0.176 177.062 177.300 -0.102 0.000 1.177 231 P CA 0.212 63.201 63.100 -0.184 0.000 0.773 231 P CB 0.111 31.587 31.700 -0.373 0.000 0.878 232 L N -1.218 119.943 121.223 -0.103 0.000 2.643 232 L HA 0.732 5.070 4.340 -0.002 0.000 0.257 232 L C -1.173 175.654 176.870 -0.071 0.000 0.922 232 L CA -0.389 54.406 54.840 -0.075 0.000 0.909 232 L CB 1.808 43.813 42.059 -0.090 0.000 1.424 232 L HN -0.016 nan 8.230 nan 0.000 0.422 233 G N 2.946 111.703 108.800 -0.072 0.000 2.694 233 G HA2 0.696 4.654 3.960 -0.002 0.000 0.290 233 G HA3 0.696 4.654 3.960 -0.002 0.000 0.290 233 G C -2.411 172.416 174.900 -0.122 0.000 1.386 233 G CA -0.665 44.374 45.100 -0.102 0.000 0.872 233 G HN 0.484 nan 8.290 nan 0.000 0.475 234 L N 0.300 121.398 121.223 -0.207 0.000 2.365 234 L HA 0.862 5.201 4.340 -0.002 0.000 0.273 234 L C 0.658 177.492 176.870 -0.060 0.000 1.000 234 L CA -0.114 54.571 54.840 -0.258 0.000 0.819 234 L CB 1.828 43.466 42.059 -0.702 0.000 1.284 234 L HN 0.903 nan 8.230 nan 0.000 0.418 235 G N 0.254 109.164 108.800 0.182 0.000 2.798 235 G HA2 0.739 4.697 3.960 -0.002 0.000 0.286 235 G HA3 0.739 4.697 3.960 -0.002 0.000 0.286 235 G C -1.206 173.890 174.900 0.325 0.000 1.389 235 G CA -0.104 45.181 45.100 0.310 0.000 0.894 235 G HN 0.596 nan 8.290 nan 0.000 0.488 236 T N -2.007 112.653 114.554 0.177 0.000 2.906 236 T HA 0.680 5.029 4.350 -0.002 0.000 0.295 236 T C -1.944 172.785 174.700 0.049 0.000 1.075 236 T CA -0.694 61.454 62.100 0.081 0.000 1.005 236 T CB 2.686 71.537 68.868 -0.027 0.000 1.136 236 T HN 0.458 nan 8.240 nan 0.000 0.498 237 D N 1.466 121.883 120.400 0.028 0.000 2.616 237 D HA 0.341 4.980 4.640 -0.002 0.000 0.238 237 D C -0.196 176.107 176.300 0.004 0.000 1.354 237 D CA -0.491 53.515 54.000 0.011 0.000 0.970 237 D CB 1.872 42.672 40.800 -0.001 0.000 1.369 237 D HN 0.629 nan 8.370 nan 0.000 0.585 238 I N 1.634 122.205 120.570 0.001 0.000 4.323 238 I HA 0.285 4.453 4.170 -0.002 0.000 0.328 238 I C 0.981 177.093 176.117 -0.007 0.000 1.310 238 I CA 0.181 61.484 61.300 0.005 0.000 1.186 238 I CB 0.890 38.909 38.000 0.030 0.000 1.130 238 I HN 0.477 nan 8.210 nan 0.000 0.411 239 G N -0.516 108.268 108.800 -0.027 0.000 4.956 239 G HA2 0.397 4.356 3.960 -0.002 0.000 0.263 239 G HA3 0.397 4.356 3.960 -0.002 0.000 0.263 239 G C 0.636 175.513 174.900 -0.038 0.000 0.958 239 G CA 0.404 45.486 45.100 -0.030 0.000 0.749 239 G HN 0.383 nan 8.290 nan 0.000 0.356 240 G N -0.218 108.514 108.800 -0.113 0.000 2.273 240 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.162 240 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.162 240 G C 1.163 175.938 174.900 -0.209 0.000 1.006 240 G CA 0.549 45.402 45.100 -0.411 0.000 0.704 240 G HN 0.449 nan 8.290 nan 0.000 0.487 241 S N -0.044 115.669 115.700 0.022 0.000 2.555 241 S HA 0.205 4.674 4.470 -0.002 0.000 0.230 241 S C 2.107 176.734 174.600 0.045 0.000 0.978 241 S CA 0.938 59.196 58.200 0.097 0.000 0.934 241 S CB -0.006 63.238 63.200 0.072 0.000 0.766 241 S HN 0.517 nan 8.310 nan 0.000 0.533 242 I N 0.744 121.311 120.570 -0.005 0.000 2.494 242 I HA -0.015 4.153 4.170 -0.002 0.000 0.250 242 I C 2.479 178.565 176.117 -0.052 0.000 1.112 242 I CA 0.728 62.026 61.300 -0.003 0.000 1.438 242 I CB -0.009 37.995 38.000 0.005 0.000 1.111 242 I HN 0.132 nan 8.210 nan 0.000 0.431 243 R N -0.051 120.361 120.500 -0.147 0.000 2.075 243 R HA -0.040 4.298 4.340 -0.002 0.000 0.226 243 R C 2.238 178.387 176.300 -0.252 0.000 1.114 243 R CA 1.199 57.169 56.100 -0.216 0.000 0.972 243 R CB -0.334 29.785 30.300 -0.303 0.000 0.869 243 R HN 0.121 nan 8.270 nan 0.000 0.437 244 F N 1.478 121.286 119.950 -0.236 0.000 2.043 244 F HA -0.144 4.382 4.527 -0.002 0.000 0.297 244 F C -0.525 174.938 175.800 -0.562 0.000 1.121 244 F CA 1.232 58.923 58.000 -0.515 0.000 1.199 244 F CB -1.593 37.079 39.000 -0.546 0.000 0.968 244 F HN 0.046 nan 8.300 nan 0.000 0.478 245 P HA -0.057 nan 4.420 nan 0.000 0.221 245 P C 1.457 178.787 177.300 0.050 0.000 1.150 245 P CA 1.535 64.621 63.100 -0.023 0.000 0.800 245 P CB -0.047 31.675 31.700 0.037 0.000 0.787 246 S N 0.493 116.205 115.700 0.020 0.000 2.368 246 S HA -0.044 4.425 4.470 -0.002 0.000 0.224 246 S C 2.246 176.887 174.600 0.068 0.000 1.029 246 S CA 1.320 59.547 58.200 0.045 0.000 0.988 246 S CB -0.934 62.273 63.200 0.012 0.000 0.838 246 S HN 0.189 nan 8.310 nan 0.000 0.462 247 A N 1.504 124.359 122.820 0.058 0.000 1.855 247 A HA 0.003 4.321 4.320 -0.002 0.000 0.215 247 A C 1.806 179.545 177.584 0.259 0.000 1.191 247 A CA 1.261 53.373 52.037 0.125 0.000 0.613 247 A CB -0.858 18.228 19.000 0.144 0.000 0.829 247 A HN 0.430 nan 8.150 nan 0.000 0.442 248 F N -0.217 119.763 119.950 0.049 0.000 2.216 248 F HA -0.125 4.401 4.527 -0.002 0.000 0.300 248 F C 2.296 178.088 175.800 -0.013 0.000 1.085 248 F CA 0.142 58.155 58.000 0.022 0.000 1.326 248 F CB -1.198 37.852 39.000 0.084 0.000 1.027 248 F HN 0.242 nan 8.300 nan 0.000 0.497 249 C N -0.847 118.604 119.300 0.252 0.000 2.906 249 C HA 0.545 5.003 4.460 -0.002 0.000 0.274 249 C C 1.762 176.942 174.990 0.316 0.000 1.257 249 C CA 0.258 59.453 59.018 0.295 0.000 1.695 249 C CB -0.663 27.251 27.740 0.290 0.000 1.958 249 C HN 0.700 nan 8.230 nan 0.000 0.619 250 G N 1.986 110.860 108.800 0.124 0.000 2.149 250 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.235 250 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.235 250 G C -0.112 174.888 174.900 0.167 0.000 1.018 250 G CA 0.575 45.733 45.100 0.097 0.000 0.728 250 G HN 0.733 nan 8.290 nan 0.000 0.508 251 I N -3.698 116.950 120.570 0.131 0.000 3.436 251 I HA 0.861 5.030 4.170 -0.002 0.000 0.300 251 I C 0.363 176.514 176.117 0.057 0.000 1.131 251 I CA -1.646 59.715 61.300 0.102 0.000 1.001 251 I CB 1.679 39.744 38.000 0.108 0.000 1.305 251 I HN 0.041 nan 8.210 nan 0.000 0.494 252 C N 0.981 120.307 119.300 0.043 0.000 2.366 252 C HA 0.929 5.388 4.460 -0.002 0.000 0.345 252 C C 0.498 175.497 174.990 0.016 0.000 1.209 252 C CA -0.010 59.020 59.018 0.021 0.000 2.050 252 C CB 0.450 28.202 27.740 0.020 0.000 2.359 252 C HN 0.993 nan 8.230 nan 0.000 0.527 253 G N 1.221 110.023 108.800 0.003 0.000 2.704 253 G HA2 0.665 4.623 3.960 -0.002 0.000 0.293 253 G HA3 0.665 4.623 3.960 -0.002 0.000 0.293 253 G C -2.196 172.703 174.900 -0.002 0.000 1.421 253 G CA -0.326 44.775 45.100 0.002 0.000 0.870 253 G HN 0.618 nan 8.290 nan 0.000 0.492 254 L N 0.298 121.524 121.223 0.006 0.000 2.436 254 L HA 0.688 5.027 4.340 -0.002 0.000 0.268 254 L C -0.397 176.482 176.870 0.015 0.000 0.974 254 L CA -0.933 53.913 54.840 0.011 0.000 0.826 254 L CB 2.070 44.144 42.059 0.025 0.000 1.291 254 L HN 0.492 nan 8.230 nan 0.000 0.406 255 K N 6.686 127.090 120.400 0.007 0.000 2.292 255 K HA 0.543 4.862 4.320 -0.002 0.000 0.270 255 K C -2.634 173.972 176.600 0.010 0.000 1.062 255 K CA -1.640 54.654 56.287 0.011 0.000 0.916 255 K CB 1.252 33.752 32.500 0.000 0.000 1.166 255 K HN 0.366 nan 8.250 nan 0.000 0.458 256 P HA 0.084 nan 4.420 nan 0.000 0.277 256 P C -0.764 176.495 177.300 -0.069 0.000 1.276 256 P CA -0.403 62.689 63.100 -0.013 0.000 0.788 256 P CB 0.320 32.032 31.700 0.019 0.000 1.114 257 T N 0.383 114.833 114.554 -0.174 0.000 2.905 257 T HA 0.049 4.398 4.350 -0.002 0.000 0.299 257 T C 1.907 176.465 174.700 -0.237 0.000 1.024 257 T CA 0.807 62.701 62.100 -0.344 0.000 1.151 257 T CB -0.183 68.165 68.868 -0.866 0.000 0.987 257 T HN 0.600 nan 8.240 nan 0.000 0.535 258 G N 2.500 111.199 108.800 -0.169 0.000 2.503 258 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.221 258 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.221 258 G C 1.279 176.174 174.900 -0.008 0.000 1.131 258 G CA 0.666 45.731 45.100 -0.060 0.000 0.756 258 G HN 0.676 nan 8.290 nan 0.000 0.572 259 N N -0.899 117.789 118.700 -0.020 0.000 2.275 259 N HA 0.137 4.875 4.740 -0.002 0.000 0.236 259 N C 1.667 177.350 175.510 0.289 0.000 1.154 259 N CA -0.291 52.853 53.050 0.157 0.000 0.866 259 N CB 0.118 38.761 38.487 0.260 0.000 1.093 259 N HN 0.088 nan 8.380 nan 0.000 0.515 260 R N -0.256 120.357 120.500 0.187 0.000 2.090 260 R HA 0.258 4.596 4.340 -0.002 0.000 0.228 260 R C 0.080 176.545 176.300 0.274 0.000 1.110 260 R CA 1.196 57.484 56.100 0.312 0.000 0.973 260 R CB -0.021 30.393 30.300 0.190 0.000 0.869 260 R HN 0.224 nan 8.270 nan 0.000 0.440 261 L N -1.130 120.209 121.223 0.193 0.000 2.271 261 L HA 0.427 4.765 4.340 -0.002 0.000 0.265 261 L C -0.126 176.839 176.870 0.159 0.000 1.013 261 L CA -1.093 53.851 54.840 0.174 0.000 0.820 261 L CB 1.739 43.884 42.059 0.144 0.000 1.352 261 L HN -0.105 nan 8.230 nan 0.000 0.443 262 S N -0.424 115.363 115.700 0.145 0.000 2.457 262 S HA 0.298 4.767 4.470 -0.002 0.000 0.289 262 S C 0.141 174.809 174.600 0.112 0.000 1.163 262 S CA -0.609 57.668 58.200 0.127 0.000 1.078 262 S CB 0.669 63.939 63.200 0.116 0.000 0.987 262 S HN 0.609 nan 8.310 nan 0.000 0.482 263 K N 2.585 123.038 120.400 0.088 0.000 2.397 263 K HA 0.149 4.467 4.320 -0.002 0.000 0.202 263 K C 0.371 177.001 176.600 0.050 0.000 1.022 263 K CA -0.121 56.199 56.287 0.056 0.000 1.141 263 K CB 0.504 33.032 32.500 0.047 0.000 0.857 263 K HN 0.504 nan 8.250 nan 0.000 0.514 264 S N 0.988 116.726 115.700 0.062 0.000 2.466 264 S HA 0.254 4.723 4.470 -0.002 0.000 0.286 264 S C 1.117 175.746 174.600 0.048 0.000 1.221 264 S CA 0.757 58.986 58.200 0.049 0.000 1.091 264 S CB -0.019 63.212 63.200 0.051 0.000 0.956 264 S HN 0.649 nan 8.310 nan 0.000 0.501 265 G N 3.248 112.069 108.800 0.034 0.000 2.163 265 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.213 265 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.213 265 G C -0.345 174.578 174.900 0.038 0.000 0.991 265 G CA -0.110 45.014 45.100 0.041 0.000 0.653 265 G HN 0.715 nan 8.290 nan 0.000 0.518 266 L N 1.087 122.315 121.223 0.008 0.000 2.326 266 L HA 0.588 4.927 4.340 -0.002 0.000 0.278 266 L C 0.693 177.593 176.870 0.050 0.000 1.092 266 L CA -0.607 54.198 54.840 -0.059 0.000 0.810 266 L CB 1.204 43.169 42.059 -0.157 0.000 1.153 266 L HN -0.033 nan 8.230 nan 0.000 0.439 267 K N 1.537 121.952 120.400 0.025 0.000 2.205 267 K HA 0.696 5.014 4.320 -0.002 0.000 0.279 267 K C -0.072 176.560 176.600 0.053 0.000 1.027 267 K CA -0.080 56.267 56.287 0.100 0.000 0.932 267 K CB 1.324 33.859 32.500 0.059 0.000 1.032 267 K HN 0.813 nan 8.250 nan 0.000 0.466 268 G N 0.804 109.632 108.800 0.047 0.000 2.708 268 G HA2 0.309 4.268 3.960 -0.002 0.000 0.289 268 G HA3 0.309 4.268 3.960 -0.002 0.000 0.289 268 G C 0.192 174.874 174.900 -0.365 0.000 1.416 268 G CA -0.593 44.375 45.100 -0.221 0.000 0.829 268 G HN 0.623 nan 8.290 nan 0.000 0.480 269 C N -0.704 118.418 119.300 -0.296 0.000 2.558 269 C HA 0.447 4.905 4.460 -0.002 0.000 0.288 269 C C 1.021 175.841 174.990 -0.284 0.000 1.338 269 C CA 0.670 59.571 59.018 -0.195 0.000 1.760 269 C CB -0.573 27.204 27.740 0.061 0.000 2.159 269 C HN 0.735 nan 8.230 nan 0.000 0.518 270 V N -1.796 117.872 119.914 -0.411 0.000 2.789 270 V HA 0.750 4.868 4.120 -0.002 0.000 0.311 270 V C -1.675 174.134 176.094 -0.475 0.000 1.073 270 V CA -0.667 61.449 62.300 -0.305 0.000 0.921 270 V CB 1.437 33.175 31.823 -0.143 0.000 1.009 270 V HN 0.292 nan 8.190 nan 0.000 0.426 271 Y N 2.067 122.375 120.300 0.013 0.000 2.499 271 Y HA 0.800 5.348 4.550 -0.002 0.000 0.347 271 Y C 1.064 176.971 175.900 0.012 0.000 0.987 271 Y CA -0.083 58.024 58.100 0.011 0.000 1.044 271 Y CB 2.424 40.892 38.460 0.013 0.000 1.245 271 Y HN 1.285 nan 8.280 nan 0.000 0.461 272 G N 1.218 110.122 108.800 0.174 0.000 2.143 272 G HA2 -0.244 3.714 3.960 -0.002 0.000 0.249 272 G HA3 -0.244 3.714 3.960 -0.002 0.000 0.249 272 G C -0.080 174.861 174.900 0.069 0.000 0.981 272 G CA -0.196 44.969 45.100 0.108 0.000 0.665 272 G HN 0.515 nan 8.290 nan 0.000 0.528 273 Q N 0.906 120.731 119.800 0.041 0.000 2.295 273 Q HA 0.502 4.841 4.340 -0.002 0.000 0.259 273 Q C 1.192 177.205 176.000 0.022 0.000 0.976 273 Q CA 0.896 56.704 55.803 0.009 0.000 0.923 273 Q CB 0.887 29.596 28.738 -0.048 0.000 1.185 273 Q HN 0.643 nan 8.270 nan 0.000 0.410 274 T N -0.221 114.352 114.554 0.032 0.000 3.087 274 T HA 0.324 4.673 4.350 -0.002 0.000 0.283 274 T C 1.181 175.901 174.700 0.034 0.000 0.956 274 T CA 0.362 62.485 62.100 0.039 0.000 0.894 274 T CB 0.423 69.324 68.868 0.055 0.000 1.160 274 T HN 0.389 nan 8.240 nan 0.000 0.532 275 A N 1.486 124.321 122.820 0.024 0.000 1.873 275 A HA 0.413 4.732 4.320 -0.002 0.000 0.215 275 A C 1.005 178.591 177.584 0.004 0.000 1.186 275 A CA 0.913 52.962 52.037 0.020 0.000 0.616 275 A CB -0.388 18.618 19.000 0.010 0.000 0.823 275 A HN 0.456 nan 8.150 nan 0.000 0.442 276 V N 2.092 122.000 119.914 -0.010 0.000 2.357 276 V HA 0.229 4.348 4.120 -0.002 0.000 0.284 276 V C -0.698 175.394 176.094 -0.003 0.000 1.018 276 V CA -0.840 61.452 62.300 -0.014 0.000 0.841 276 V CB 1.376 33.183 31.823 -0.027 0.000 0.991 276 V HN 0.486 nan 8.190 nan 0.000 0.437 277 Q N 3.141 122.944 119.800 0.005 0.000 2.293 277 Q HA 0.382 4.721 4.340 -0.002 0.000 0.251 277 Q C -0.401 175.605 176.000 0.010 0.000 0.930 277 Q CA -0.779 55.032 55.803 0.012 0.000 0.893 277 Q CB 2.322 31.067 28.738 0.012 0.000 1.215 277 Q HN 0.581 nan 8.270 nan 0.000 0.425 278 L N 1.408 122.640 121.223 0.015 0.000 2.426 278 L HA 0.203 4.542 4.340 -0.002 0.000 0.271 278 L C -0.306 176.574 176.870 0.015 0.000 1.169 278 L CA 0.682 55.530 54.840 0.012 0.000 0.836 278 L CB 1.216 43.281 42.059 0.009 0.000 1.112 278 L HN 0.568 nan 8.230 nan 0.000 0.465 279 S N 4.225 119.934 115.700 0.015 0.000 2.536 279 S HA 0.772 5.240 4.470 -0.002 0.000 0.287 279 S C -0.959 173.667 174.600 0.044 0.000 1.101 279 S CA -0.797 57.417 58.200 0.025 0.000 0.950 279 S CB 0.986 64.193 63.200 0.012 0.000 1.056 279 S HN 0.711 nan 8.310 nan 0.000 0.481 280 L N 2.303 123.572 121.223 0.076 0.000 2.330 280 L HA 1.142 5.481 4.340 -0.002 0.000 0.271 280 L C 0.078 177.033 176.870 0.143 0.000 1.013 280 L CA -0.303 54.622 54.840 0.142 0.000 0.816 280 L CB 1.593 43.775 42.059 0.206 0.000 1.287 280 L HN 0.764 nan 8.230 nan 0.000 0.435 281 G N 0.441 109.339 108.800 0.163 0.000 2.451 281 G HA2 0.548 4.507 3.960 -0.002 0.000 0.292 281 G HA3 0.548 4.507 3.960 -0.002 0.000 0.292 281 G C -3.390 171.548 174.900 0.064 0.000 1.427 281 G CA -0.818 44.340 45.100 0.096 0.000 0.792 281 G HN 0.588 nan 8.290 nan 0.000 0.498 282 P HA 0.535 nan 4.420 nan 0.000 0.281 282 P C -0.781 176.519 177.300 0.000 0.000 1.249 282 P CA -0.269 62.828 63.100 -0.006 0.000 0.810 282 P CB 1.451 33.138 31.700 -0.022 0.000 1.008 283 M N 1.406 121.000 119.600 -0.009 0.000 2.518 283 M HA 0.758 5.237 4.480 -0.002 0.000 0.300 283 M C -0.479 175.820 176.300 -0.002 0.000 1.175 283 M CA -0.446 54.855 55.300 0.003 0.000 0.890 283 M CB 2.775 35.383 32.600 0.013 0.000 1.710 283 M HN 0.509 nan 8.290 nan 0.000 0.453 284 A N 1.180 124.008 122.820 0.013 0.000 2.483 284 A HA 0.558 4.877 4.320 -0.002 0.000 0.294 284 A C -0.474 177.133 177.584 0.038 0.000 1.077 284 A CA -0.758 51.288 52.037 0.015 0.000 0.633 284 A CB 1.173 20.171 19.000 -0.002 0.000 1.318 284 A HN 0.888 nan 8.150 nan 0.000 0.455 285 R N -0.274 120.253 120.500 0.044 0.000 2.240 285 R HA 0.105 4.444 4.340 -0.002 0.000 0.203 285 R C -0.582 175.751 176.300 0.056 0.000 1.011 285 R CA 1.527 57.665 56.100 0.063 0.000 1.007 285 R CB -0.022 30.322 30.300 0.073 0.000 0.911 285 R HN 0.841 nan 8.270 nan 0.000 0.468 286 D N -3.132 117.294 120.400 0.043 0.000 2.626 286 D HA 0.090 4.728 4.640 -0.002 0.000 0.278 286 D C 0.589 176.914 176.300 0.042 0.000 1.211 286 D CA -0.763 53.263 54.000 0.043 0.000 0.903 286 D CB 0.860 41.689 40.800 0.048 0.000 1.408 286 D HN -0.341 nan 8.370 nan 0.000 0.454 287 V N -0.419 119.529 119.914 0.057 0.000 2.488 287 V HA -0.105 4.014 4.120 -0.002 0.000 0.246 287 V C 2.211 178.362 176.094 0.096 0.000 1.046 287 V CA 1.836 64.183 62.300 0.078 0.000 1.053 287 V CB -0.757 31.131 31.823 0.108 0.000 0.679 287 V HN 0.696 nan 8.190 nan 0.000 0.458 288 E N 0.699 120.974 120.200 0.125 0.000 2.160 288 E HA -0.184 4.165 4.350 -0.002 0.000 0.195 288 E C 2.327 178.935 176.600 0.014 0.000 0.991 288 E CA 1.629 58.106 56.400 0.129 0.000 0.810 288 E CB -0.303 29.476 29.700 0.131 0.000 0.742 288 E HN 0.532 nan 8.360 nan 0.000 0.466 289 S N -0.257 115.446 115.700 0.006 0.000 2.356 289 S HA -0.106 4.363 4.470 -0.002 0.000 0.223 289 S C 1.831 176.393 174.600 -0.063 0.000 1.032 289 S CA 1.129 59.312 58.200 -0.029 0.000 1.005 289 S CB -0.279 62.912 63.200 -0.014 0.000 0.867 289 S HN 0.277 nan 8.310 nan 0.000 0.449 290 L N 1.086 122.281 121.223 -0.046 0.000 2.012 290 L HA -0.163 4.176 4.340 -0.002 0.000 0.210 290 L C 2.818 179.609 176.870 -0.132 0.000 1.073 290 L CA 1.317 56.122 54.840 -0.058 0.000 0.748 290 L CB -0.817 41.232 42.059 -0.018 0.000 0.891 290 L HN 0.322 nan 8.230 nan 0.000 0.431 291 A N 0.124 122.818 122.820 -0.209 0.000 1.877 291 A HA -0.225 4.094 4.320 -0.002 0.000 0.216 291 A C 2.208 179.439 177.584 -0.590 0.000 1.186 291 A CA 1.740 53.493 52.037 -0.475 0.000 0.620 291 A CB -0.709 17.759 19.000 -0.887 0.000 0.822 291 A HN 0.324 nan 8.150 nan 0.000 0.443 292 L N -0.089 120.919 121.223 -0.358 0.000 1.994 292 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 292 L C 2.556 179.262 176.870 -0.272 0.000 1.071 292 L CA 2.237 56.895 54.840 -0.303 0.000 0.745 292 L CB -1.401 40.566 42.059 -0.154 0.000 0.892 292 L HN 0.525 nan 8.230 nan 0.000 0.431 293 C N -0.486 118.698 119.300 -0.193 0.000 2.393 293 C HA -0.225 4.233 4.460 -0.002 0.000 0.276 293 C C 2.851 177.750 174.990 -0.152 0.000 1.215 293 C CA 1.349 60.281 59.018 -0.143 0.000 1.743 293 C CB -1.190 26.489 27.740 -0.102 0.000 2.044 293 C HN 0.621 nan 8.230 nan 0.000 0.464 294 L N 0.416 121.535 121.223 -0.174 0.000 2.042 294 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 294 L C 2.757 179.522 176.870 -0.175 0.000 1.076 294 L CA 2.224 57.004 54.840 -0.099 0.000 0.749 294 L CB -0.778 41.302 42.059 0.036 0.000 0.893 294 L HN 0.499 nan 8.230 nan 0.000 0.432 295 K N -0.261 119.825 120.400 -0.523 0.000 2.097 295 K HA -0.184 4.135 4.320 -0.002 0.000 0.206 295 K C 2.002 178.501 176.600 -0.169 0.000 1.049 295 K CA 1.283 57.295 56.287 -0.458 0.000 0.933 295 K CB 0.003 32.098 32.500 -0.674 0.000 0.717 295 K HN 0.324 nan 8.250 nan 0.000 0.442 296 A N 0.883 123.607 122.820 -0.161 0.000 1.898 296 A HA -0.099 4.220 4.320 -0.002 0.000 0.216 296 A C 1.953 179.493 177.584 -0.074 0.000 1.181 296 A CA 0.934 52.915 52.037 -0.093 0.000 0.620 296 A CB -0.353 18.593 19.000 -0.089 0.000 0.819 296 A HN 0.210 nan 8.150 nan 0.000 0.442 297 L N -0.407 120.773 121.223 -0.071 0.000 2.044 297 L HA 0.057 4.396 4.340 -0.002 0.000 0.205 297 L C 1.047 177.844 176.870 -0.122 0.000 1.075 297 L CA 1.060 55.860 54.840 -0.066 0.000 0.747 297 L CB -1.520 40.525 42.059 -0.023 0.000 0.903 297 L HN 0.311 nan 8.230 nan 0.000 0.435 298 L N 1.391 122.586 121.223 -0.047 0.000 2.451 298 L HA 0.069 4.408 4.340 -0.002 0.000 0.272 298 L C 0.265 177.049 176.870 -0.143 0.000 1.258 298 L CA -0.343 54.476 54.840 -0.035 0.000 1.132 298 L CB -0.564 41.662 42.059 0.277 0.000 1.361 298 L HN 0.392 nan 8.230 nan 0.000 0.438 299 C N -1.225 117.746 119.300 -0.549 0.000 3.340 299 C HA 0.413 4.872 4.460 -0.002 0.000 0.333 299 C C 1.478 176.130 174.990 -0.563 0.000 1.464 299 C CA -0.768 58.047 59.018 -0.338 0.000 1.337 299 C CB 1.910 29.571 27.740 -0.131 0.000 1.740 299 C HN 0.532 nan 8.230 nan 0.000 0.450 300 E N 0.102 120.166 120.200 -0.228 0.000 2.204 300 E HA -0.125 4.223 4.350 -0.002 0.000 0.195 300 E C 1.849 178.326 176.600 -0.204 0.000 0.990 300 E CA 1.458 57.774 56.400 -0.141 0.000 0.821 300 E CB -0.375 29.244 29.700 -0.135 0.000 0.750 300 E HN 0.705 nan 8.360 nan 0.000 0.477 301 H N -0.093 118.895 119.070 -0.138 0.000 2.387 301 H HA -0.103 4.452 4.556 -0.002 0.000 0.299 301 H C 2.178 177.429 175.328 -0.128 0.000 1.090 301 H CA 0.883 56.871 56.048 -0.101 0.000 1.332 301 H CB -0.180 29.529 29.762 -0.088 0.000 1.386 301 H HN 0.107 nan 8.280 nan 0.000 0.516 302 L N 0.531 121.658 121.223 -0.161 0.000 2.027 302 L HA -0.116 4.223 4.340 -0.002 0.000 0.206 302 L C 1.939 178.781 176.870 -0.047 0.000 1.074 302 L CA 1.402 56.136 54.840 -0.175 0.000 0.745 302 L CB -0.876 40.968 42.059 -0.357 0.000 0.898 302 L HN -0.044 nan 8.230 nan 0.000 0.433 303 F N -0.553 119.427 119.950 0.051 0.000 2.293 303 F HA -0.092 4.434 4.527 -0.002 0.000 0.300 303 F C 2.433 178.247 175.800 0.023 0.000 1.086 303 F CA 1.319 59.338 58.000 0.032 0.000 1.375 303 F CB -1.926 37.083 39.000 0.015 0.000 1.045 303 F HN 0.069 nan 8.300 nan 0.000 0.516 304 T N 0.190 114.842 114.554 0.163 0.000 2.896 304 T HA 0.016 4.365 4.350 -0.002 0.000 0.263 304 T C 2.231 176.980 174.700 0.083 0.000 1.050 304 T CA 0.729 62.889 62.100 0.100 0.000 1.140 304 T CB -0.249 68.656 68.868 0.061 0.000 0.877 304 T HN 0.176 nan 8.240 nan 0.000 0.457 305 L N 0.313 121.584 121.223 0.080 0.000 2.179 305 L HA 0.127 4.466 4.340 -0.002 0.000 0.208 305 L C 0.798 177.710 176.870 0.069 0.000 1.096 305 L CA 0.861 55.740 54.840 0.064 0.000 0.779 305 L CB 0.099 42.189 42.059 0.053 0.000 0.922 305 L HN 0.157 nan 8.230 nan 0.000 0.443 306 D N -0.958 119.499 120.400 0.094 0.000 2.400 306 D HA 0.192 4.831 4.640 -0.002 0.000 0.272 306 D C -1.897 174.479 176.300 0.126 0.000 1.220 306 D CA -1.956 52.104 54.000 0.100 0.000 0.897 306 D CB 1.195 42.057 40.800 0.103 0.000 1.134 306 D HN -0.170 nan 8.370 nan 0.000 0.507 307 P HA -0.154 nan 4.420 nan 0.000 0.219 307 P C 1.328 178.668 177.300 0.066 0.000 1.144 307 P CA 1.335 64.484 63.100 0.082 0.000 0.806 307 P CB 0.089 31.820 31.700 0.052 0.000 0.771 308 T N -4.666 109.931 114.554 0.073 0.000 3.072 308 T HA 0.012 4.361 4.350 -0.002 0.000 0.266 308 T C 0.711 175.462 174.700 0.086 0.000 1.127 308 T CA 0.207 62.346 62.100 0.066 0.000 1.107 308 T CB -0.875 68.032 68.868 0.066 0.000 0.910 308 T HN -0.170 nan 8.240 nan 0.000 0.513 309 V N 4.556 124.544 119.914 0.124 0.000 2.461 309 V HA 0.339 4.457 4.120 -0.002 0.000 0.275 309 V C -2.084 174.053 176.094 0.072 0.000 1.047 309 V CA -2.281 60.118 62.300 0.166 0.000 0.955 309 V CB 0.887 32.872 31.823 0.270 0.000 0.988 309 V HN 0.312 nan 8.190 nan 0.000 0.471 310 P HA 0.181 nan 4.420 nan 0.000 0.271 310 P C -2.489 174.571 177.300 -0.399 0.000 1.226 310 P CA -1.709 61.268 63.100 -0.205 0.000 0.765 310 P CB 0.222 31.720 31.700 -0.338 0.000 0.835 311 P HA 0.142 nan 4.420 nan 0.000 0.230 311 P C -0.498 176.244 177.300 -0.930 0.000 1.791 311 P CA 0.039 62.195 63.100 -1.575 0.000 1.020 311 P CB -0.203 30.831 31.700 -1.111 0.000 1.977 312 L N 4.440 125.362 121.223 -0.503 0.000 2.261 312 L HA 0.352 4.690 4.340 -0.002 0.000 0.289 312 L C -1.615 175.315 176.870 0.100 0.000 1.059 312 L CA -2.052 52.696 54.840 -0.154 0.000 0.816 312 L CB 0.577 42.602 42.059 -0.057 0.000 1.191 312 L HN 0.091 nan 8.230 nan 0.000 0.431 313 P HA -0.011 nan 4.420 nan 0.000 0.274 313 P C -0.527 176.907 177.300 0.223 0.000 1.246 313 P CA -0.482 62.778 63.100 0.266 0.000 0.795 313 P CB 0.583 32.402 31.700 0.197 0.000 1.006 314 F N 2.029 122.051 119.950 0.120 0.000 2.538 314 F HA 0.062 4.587 4.527 -0.002 0.000 0.382 314 F C 1.149 176.994 175.800 0.076 0.000 1.069 314 F CA 0.072 58.120 58.000 0.081 0.000 1.138 314 F CB 0.082 39.109 39.000 0.046 0.000 1.068 314 F HN 0.114 nan 8.300 nan 0.000 0.556 315 R N 5.035 125.360 120.500 -0.292 0.000 2.609 315 R HA -0.019 4.319 4.340 -0.002 0.000 0.271 315 R C 1.282 177.489 176.300 -0.156 0.000 1.403 315 R CA -0.072 55.938 56.100 -0.149 0.000 1.138 315 R CB 0.238 30.462 30.300 -0.127 0.000 1.142 315 R HN 0.689 nan 8.270 nan 0.000 0.559 316 E N 2.740 123.013 120.200 0.122 0.000 2.160 316 E HA -0.251 4.098 4.350 -0.002 0.000 0.195 316 E C 1.659 178.380 176.600 0.200 0.000 0.991 316 E CA 1.729 58.317 56.400 0.314 0.000 0.810 316 E CB 0.261 30.156 29.700 0.326 0.000 0.742 316 E HN 0.569 nan 8.360 nan 0.000 0.466 317 E N 0.147 120.407 120.200 0.100 0.000 2.150 317 E HA -0.118 4.231 4.350 -0.002 0.000 0.193 317 E C 2.085 178.712 176.600 0.045 0.000 0.985 317 E CA 1.289 57.728 56.400 0.065 0.000 0.814 317 E CB -0.533 29.191 29.700 0.040 0.000 0.752 317 E HN 0.281 nan 8.360 nan 0.000 0.466 318 V N 0.783 120.710 119.914 0.023 0.000 2.379 318 V HA -0.230 3.889 4.120 -0.002 0.000 0.245 318 V C 2.374 178.509 176.094 0.068 0.000 1.044 318 V CA 1.810 64.120 62.300 0.016 0.000 1.036 318 V CB -0.937 30.869 31.823 -0.029 0.000 0.664 318 V HN 0.252 nan 8.190 nan 0.000 0.453 319 Y N 1.557 121.832 120.300 -0.042 0.000 2.181 319 Y HA -0.161 4.388 4.550 -0.002 0.000 0.288 319 Y C 2.620 178.576 175.900 0.092 0.000 1.146 319 Y CA 1.580 59.710 58.100 0.050 0.000 1.164 319 Y CB -0.162 38.393 38.460 0.158 0.000 0.982 319 Y HN 0.064 nan 8.280 nan 0.000 0.515 320 R N 0.387 120.852 120.500 -0.058 0.000 2.193 320 R HA -0.001 4.337 4.340 -0.002 0.000 0.213 320 R C 1.327 177.573 176.300 -0.089 0.000 1.055 320 R CA 0.733 56.746 56.100 -0.144 0.000 0.995 320 R CB -0.811 29.490 30.300 0.001 0.000 0.893 320 R HN 0.300 nan 8.270 nan 0.000 0.459 321 S N 1.373 117.052 115.700 -0.033 0.000 2.554 321 S HA -0.046 4.422 4.470 -0.002 0.000 0.290 321 S C 0.886 175.479 174.600 -0.012 0.000 1.309 321 S CA 0.312 58.506 58.200 -0.011 0.000 1.047 321 S CB 0.584 63.790 63.200 0.009 0.000 0.828 321 S HN 0.370 nan 8.310 nan 0.000 0.509 322 S N 3.472 119.172 115.700 0.000 0.000 2.843 322 S HA 0.358 4.827 4.470 -0.002 0.000 0.249 322 S C 0.072 174.680 174.600 0.012 0.000 1.047 322 S CA -0.769 57.440 58.200 0.014 0.000 1.042 322 S CB -0.001 63.199 63.200 -0.000 0.000 0.936 322 S HN 0.743 nan 8.310 nan 0.000 0.531 323 R N 2.284 122.793 120.500 0.014 0.000 2.590 323 R HA 0.322 4.660 4.340 -0.002 0.000 0.274 323 R C -2.567 173.737 176.300 0.006 0.000 1.061 323 R CA -1.437 54.662 56.100 -0.000 0.000 1.081 323 R CB -0.117 30.185 30.300 0.004 0.000 0.984 323 R HN 0.237 nan 8.270 nan 0.000 0.448 324 P HA -0.063 nan 4.420 nan 0.000 0.265 324 P C -0.801 176.528 177.300 0.048 0.000 1.187 324 P CA 0.499 63.536 63.100 -0.105 0.000 0.766 324 P CB 0.490 32.103 31.700 -0.145 0.000 0.820 325 L N 3.233 124.594 121.223 0.229 0.000 2.334 325 L HA 0.474 4.813 4.340 -0.002 0.000 0.273 325 L C 0.810 177.700 176.870 0.033 0.000 1.013 325 L CA -0.760 54.152 54.840 0.121 0.000 0.816 325 L CB 1.656 43.764 42.059 0.082 0.000 1.278 325 L HN 0.189 nan 8.230 nan 0.000 0.431 326 R N 1.907 122.369 120.500 -0.064 0.000 2.230 326 R HA 0.381 4.720 4.340 -0.002 0.000 0.337 326 R C -1.145 175.021 176.300 -0.223 0.000 1.063 326 R CA -0.438 55.600 56.100 -0.104 0.000 0.935 326 R CB 0.993 31.233 30.300 -0.100 0.000 1.121 326 R HN 0.289 nan 8.270 nan 0.000 0.486 327 V N 3.224 123.023 119.914 -0.192 0.000 2.318 327 V HA 0.283 4.402 4.120 -0.002 0.000 0.271 327 V C 0.977 176.975 176.094 -0.160 0.000 1.030 327 V CA -0.856 61.274 62.300 -0.284 0.000 0.844 327 V CB 1.252 32.947 31.823 -0.214 0.000 1.015 327 V HN 0.866 nan 8.190 nan 0.000 0.460 328 G N 4.413 113.018 108.800 -0.326 0.000 2.491 328 G HA2 0.417 4.376 3.960 -0.002 0.000 0.242 328 G HA3 0.417 4.376 3.960 -0.002 0.000 0.242 328 G C -0.846 174.098 174.900 0.074 0.000 1.266 328 G CA 0.048 45.014 45.100 -0.223 0.000 0.844 328 G HN 0.982 nan 8.290 nan 0.000 0.571 329 Y N 0.265 120.620 120.300 0.092 0.000 2.581 329 Y HA 0.684 5.232 4.550 -0.002 0.000 0.337 329 Y C -1.363 174.713 175.900 0.292 0.000 1.108 329 Y CA -2.114 56.057 58.100 0.120 0.000 1.033 329 Y CB 1.297 39.793 38.460 0.059 0.000 1.318 329 Y HN 0.859 nan 8.280 nan 0.000 0.459 330 Y N -0.413 120.004 120.300 0.194 0.000 2.562 330 Y HA 0.589 5.137 4.550 -0.002 0.000 0.345 330 Y C 0.048 176.113 175.900 0.276 0.000 1.045 330 Y CA -1.222 56.958 58.100 0.133 0.000 1.028 330 Y CB 2.045 40.575 38.460 0.117 0.000 1.297 330 Y HN 0.809 nan 8.280 nan 0.000 0.463 331 E N 0.404 120.851 120.200 0.412 0.000 2.431 331 E HA 0.094 4.443 4.350 -0.002 0.000 0.200 331 E C -0.523 176.301 176.600 0.373 0.000 0.995 331 E CA 0.748 57.337 56.400 0.314 0.000 0.915 331 E CB 0.672 30.536 29.700 0.274 0.000 0.930 331 E HN 0.756 nan 8.360 nan 0.000 0.496 332 T N 0.318 115.193 114.554 0.534 0.000 3.047 332 T HA 0.060 4.408 4.350 -0.002 0.000 0.340 332 T C -1.117 173.915 174.700 0.553 0.000 1.421 332 T CA -0.590 61.877 62.100 0.612 0.000 1.090 332 T CB 1.327 70.476 68.868 0.469 0.000 1.292 332 T HN 0.014 nan 8.240 nan 0.000 0.480 333 D N 2.840 123.528 120.400 0.481 0.000 2.325 333 D HA 0.105 4.743 4.640 -0.002 0.000 0.234 333 D C 0.532 176.849 176.300 0.027 0.000 1.122 333 D CA -0.298 53.744 54.000 0.071 0.000 0.850 333 D CB -0.463 40.261 40.800 -0.126 0.000 0.921 333 D HN 0.596 nan 8.370 nan 0.000 0.513 334 N N -0.569 118.144 118.700 0.023 0.000 2.686 334 N HA -0.308 4.431 4.740 -0.002 0.000 0.249 334 N C -0.445 174.979 175.510 -0.143 0.000 1.082 334 N CA 0.984 53.831 53.050 -0.338 0.000 0.725 334 N CB -1.453 36.847 38.487 -0.312 0.000 1.009 334 N HN 0.580 nan 8.380 nan 0.000 0.545 335 Y N -0.835 119.543 120.300 0.130 0.000 3.116 335 Y HA 0.137 4.685 4.550 -0.002 0.000 0.220 335 Y C 0.544 176.809 175.900 0.609 0.000 0.965 335 Y CA 0.446 58.770 58.100 0.374 0.000 1.476 335 Y CB 0.487 39.063 38.460 0.193 0.000 1.493 335 Y HN -0.057 nan 8.280 nan 0.000 0.423 336 T N 3.622 118.511 114.554 0.558 0.000 2.762 336 T HA 0.252 4.601 4.350 -0.002 0.000 0.303 336 T C -0.340 174.662 174.700 0.502 0.000 0.977 336 T CA -0.408 61.976 62.100 0.475 0.000 0.961 336 T CB 0.149 69.280 68.868 0.438 0.000 0.944 336 T HN 0.260 nan 8.240 nan 0.000 0.481 337 M N 7.401 127.037 119.600 0.060 0.000 2.290 337 M HA 0.107 4.586 4.480 -0.002 0.000 0.356 337 M C -2.021 174.429 176.300 0.249 0.000 1.448 337 M CA -0.752 54.361 55.300 -0.312 0.000 0.993 337 M CB 0.579 32.530 32.600 -1.082 0.000 1.934 337 M HN 0.231 nan 8.290 nan 0.000 0.461 338 P HA 0.167 nan 4.420 nan 0.000 0.276 338 P C -1.158 176.335 177.300 0.322 0.000 1.244 338 P CA -0.502 62.780 63.100 0.305 0.000 0.801 338 P CB 0.798 32.619 31.700 0.201 0.000 1.006 339 S N 1.177 117.011 115.700 0.223 0.000 2.576 339 S HA 0.192 4.661 4.470 -0.002 0.000 0.276 339 S C -1.677 172.990 174.600 0.112 0.000 1.339 339 S CA -0.789 57.505 58.200 0.156 0.000 1.039 339 S CB -0.158 63.056 63.200 0.023 0.000 0.902 339 S HN 0.246 nan 8.310 nan 0.000 0.516 340 P HA -0.195 nan 4.420 nan 0.000 0.217 340 P C 1.685 179.002 177.300 0.028 0.000 1.158 340 P CA 2.315 65.452 63.100 0.062 0.000 0.887 340 P CB -0.280 31.450 31.700 0.049 0.000 0.792 341 A N -1.290 121.533 122.820 0.005 0.000 1.908 341 A HA -0.254 4.065 4.320 -0.002 0.000 0.218 341 A C 2.241 179.813 177.584 -0.020 0.000 1.181 341 A CA 2.277 54.303 52.037 -0.019 0.000 0.627 341 A CB -1.500 17.473 19.000 -0.046 0.000 0.818 341 A HN 0.129 nan 8.150 nan 0.000 0.445 342 M N -1.457 118.135 119.600 -0.013 0.000 2.080 342 M HA -0.188 4.290 4.480 -0.002 0.000 0.260 342 M C 2.481 178.771 176.300 -0.018 0.000 1.068 342 M CA 1.729 57.010 55.300 -0.032 0.000 1.109 342 M CB -0.352 32.222 32.600 -0.044 0.000 1.342 342 M HN 0.364 nan 8.290 nan 0.000 0.405 343 R N -0.447 120.066 120.500 0.021 0.000 2.083 343 R HA -0.175 4.164 4.340 -0.002 0.000 0.237 343 R C 2.345 178.661 176.300 0.025 0.000 1.137 343 R CA 1.712 57.838 56.100 0.043 0.000 0.951 343 R CB -0.391 29.948 30.300 0.066 0.000 0.851 343 R HN 0.359 nan 8.270 nan 0.000 0.434 344 R N 0.233 120.740 120.500 0.013 0.000 2.075 344 R HA -0.098 4.241 4.340 -0.002 0.000 0.232 344 R C 2.192 178.485 176.300 -0.012 0.000 1.126 344 R CA 1.389 57.490 56.100 0.003 0.000 0.963 344 R CB -0.235 30.064 30.300 -0.002 0.000 0.858 344 R HN 0.211 nan 8.270 nan 0.000 0.435 345 A N 1.744 124.550 122.820 -0.023 0.000 1.873 345 A HA -0.209 4.109 4.320 -0.002 0.000 0.218 345 A C 2.125 179.685 177.584 -0.040 0.000 1.193 345 A CA 1.430 53.444 52.037 -0.038 0.000 0.629 345 A CB -0.877 18.093 19.000 -0.049 0.000 0.826 345 A HN 0.401 nan 8.150 nan 0.000 0.447 346 L N -0.163 121.042 121.223 -0.031 0.000 2.046 346 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 346 L C 2.336 179.192 176.870 -0.023 0.000 1.077 346 L CA 2.002 56.828 54.840 -0.024 0.000 0.747 346 L CB -0.831 41.228 42.059 0.001 0.000 0.896 346 L HN 0.489 nan 8.230 nan 0.000 0.432 347 I N -0.382 120.182 120.570 -0.010 0.000 2.286 347 I HA -0.257 3.912 4.170 -0.002 0.000 0.245 347 I C 2.426 178.518 176.117 -0.041 0.000 1.104 347 I CA 0.769 62.054 61.300 -0.024 0.000 1.397 347 I CB -0.172 37.831 38.000 0.005 0.000 1.072 347 I HN 0.297 nan 8.210 nan 0.000 0.417 348 E N 0.507 120.689 120.200 -0.030 0.000 2.058 348 E HA -0.209 4.140 4.350 -0.002 0.000 0.194 348 E C 2.114 178.688 176.600 -0.044 0.000 0.997 348 E CA 2.039 58.420 56.400 -0.032 0.000 0.801 348 E CB -0.171 29.512 29.700 -0.027 0.000 0.746 348 E HN 0.484 nan 8.360 nan 0.000 0.450 349 T N 1.303 115.825 114.554 -0.054 0.000 2.643 349 T HA -0.215 4.133 4.350 -0.002 0.000 0.264 349 T C 1.805 176.465 174.700 -0.068 0.000 1.045 349 T CA 1.513 63.573 62.100 -0.066 0.000 1.155 349 T CB -0.265 68.553 68.868 -0.082 0.000 0.863 349 T HN 0.164 nan 8.240 nan 0.000 0.420 350 K N 0.898 121.243 120.400 -0.092 0.000 2.049 350 K HA -0.327 3.992 4.320 -0.002 0.000 0.219 350 K C 2.416 178.950 176.600 -0.109 0.000 1.056 350 K CA 2.118 58.313 56.287 -0.153 0.000 0.946 350 K CB -0.262 32.066 32.500 -0.288 0.000 0.723 350 K HN 0.376 nan 8.250 nan 0.000 0.453 351 Q N -0.495 119.254 119.800 -0.086 0.000 2.135 351 Q HA -0.140 4.198 4.340 -0.002 0.000 0.204 351 Q C 2.277 178.264 176.000 -0.022 0.000 0.981 351 Q CA 1.454 57.226 55.803 -0.051 0.000 0.856 351 Q CB 0.036 28.751 28.738 -0.038 0.000 0.902 351 Q HN 0.286 nan 8.270 nan 0.000 0.425 352 R N 0.033 120.522 120.500 -0.019 0.000 2.090 352 R HA -0.033 4.306 4.340 -0.002 0.000 0.228 352 R C 2.286 178.610 176.300 0.039 0.000 1.110 352 R CA 0.777 56.879 56.100 0.003 0.000 0.973 352 R CB -0.336 29.959 30.300 -0.008 0.000 0.869 352 R HN 0.316 nan 8.270 nan 0.000 0.440 353 L N 0.641 121.885 121.223 0.035 0.000 2.083 353 L HA -0.162 4.176 4.340 -0.002 0.000 0.209 353 L C 2.280 179.266 176.870 0.192 0.000 1.083 353 L CA 1.409 56.317 54.840 0.114 0.000 0.752 353 L CB -0.421 41.645 42.059 0.011 0.000 0.899 353 L HN 0.196 nan 8.230 nan 0.000 0.433 354 E N 0.309 120.552 120.200 0.073 0.000 2.038 354 E HA -0.246 4.103 4.350 -0.002 0.000 0.195 354 E C 2.346 178.974 176.600 0.047 0.000 1.000 354 E CA 1.293 57.721 56.400 0.048 0.000 0.803 354 E CB -0.238 29.462 29.700 -0.001 0.000 0.750 354 E HN 0.479 nan 8.360 nan 0.000 0.448 355 A N 1.168 124.009 122.820 0.036 0.000 1.948 355 A HA -0.195 4.124 4.320 -0.002 0.000 0.220 355 A C 2.225 179.828 177.584 0.031 0.000 1.177 355 A CA 1.877 53.929 52.037 0.026 0.000 0.636 355 A CB -0.599 18.413 19.000 0.020 0.000 0.815 355 A HN 0.301 nan 8.150 nan 0.000 0.449 356 A N -2.033 120.830 122.820 0.071 0.000 2.278 356 A HA 0.430 4.749 4.320 -0.002 0.000 0.212 356 A C 1.705 179.255 177.584 -0.056 0.000 1.213 356 A CA 1.096 53.169 52.037 0.059 0.000 0.840 356 A CB -0.999 18.106 19.000 0.175 0.000 0.866 356 A HN 1.966 nan 8.150 nan 0.000 0.489 357 G N -0.920 107.862 108.800 -0.029 0.000 2.143 357 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.249 357 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.249 357 G C -0.021 174.791 174.900 -0.146 0.000 0.981 357 G CA 0.421 45.464 45.100 -0.095 0.000 0.665 357 G HN 0.769 nan 8.290 nan 0.000 0.528 358 H N 0.506 119.576 119.070 0.001 0.000 2.615 358 H HA 0.549 5.104 4.556 -0.002 0.000 0.363 358 H C 0.709 176.028 175.328 -0.015 0.000 1.148 358 H CA 0.818 56.863 56.048 -0.006 0.000 1.401 358 H CB 0.757 30.525 29.762 0.010 0.000 1.461 358 H HN 0.126 nan 8.280 nan 0.000 0.588 359 T N 3.715 118.323 114.554 0.089 0.000 2.771 359 T HA 0.232 4.581 4.350 -0.002 0.000 0.291 359 T C -0.130 174.596 174.700 0.043 0.000 0.954 359 T CA -0.684 61.443 62.100 0.045 0.000 1.045 359 T CB 0.329 69.208 68.868 0.018 0.000 0.917 359 T HN 0.151 nan 8.240 nan 0.000 0.484 360 L N 4.836 126.090 121.223 0.052 0.000 2.280 360 L HA 0.552 4.891 4.340 -0.002 0.000 0.287 360 L C -0.361 176.651 176.870 0.237 0.000 1.023 360 L CA -0.372 54.517 54.840 0.081 0.000 0.819 360 L CB 1.038 43.048 42.059 -0.082 0.000 1.212 360 L HN 0.661 nan 8.230 nan 0.000 0.420 361 I N 5.645 126.402 120.570 0.312 0.000 2.418 361 I HA 0.340 4.508 4.170 -0.002 0.000 0.287 361 I C -2.210 173.976 176.117 0.116 0.000 1.008 361 I CA -1.999 59.428 61.300 0.211 0.000 1.104 361 I CB 2.375 40.409 38.000 0.056 0.000 1.264 361 I HN 0.325 nan 8.210 nan 0.000 0.438 362 P HA 0.125 nan 4.420 nan 0.000 0.265 362 P C -1.072 176.178 177.300 -0.083 0.000 1.193 362 P CA 0.248 63.075 63.100 -0.454 0.000 0.765 362 P CB 0.280 31.831 31.700 -0.248 0.000 0.823 363 F N 3.988 123.794 119.950 -0.240 0.000 2.639 363 F HA 0.527 5.052 4.527 -0.002 0.000 0.320 363 F C -2.245 173.548 175.800 -0.011 0.000 1.128 363 F CA -0.859 57.087 58.000 -0.090 0.000 1.037 363 F CB 1.228 40.180 39.000 -0.080 0.000 1.288 363 F HN 0.092 nan 8.300 nan 0.000 0.463 364 L N 8.196 129.042 121.223 -0.629 0.000 2.482 364 L HA 0.661 5.000 4.340 -0.002 0.000 0.269 364 L C -2.631 173.827 176.870 -0.688 0.000 0.967 364 L CA -1.952 52.548 54.840 -0.567 0.000 0.851 364 L CB 1.901 43.703 42.059 -0.429 0.000 1.242 364 L HN 0.322 nan 8.230 nan 0.000 0.404 365 P HA 0.127 nan 4.420 nan 0.000 0.265 365 P C -1.038 176.136 177.300 -0.210 0.000 1.193 365 P CA 0.031 62.959 63.100 -0.287 0.000 0.765 365 P CB 0.170 31.832 31.700 -0.063 0.000 0.823 366 N N 1.973 120.586 118.700 -0.145 0.000 2.381 366 N HA -0.032 4.706 4.740 -0.002 0.000 0.241 366 N C 0.168 175.742 175.510 0.107 0.000 1.279 366 N CA -0.251 52.770 53.050 -0.049 0.000 0.896 366 N CB -0.323 38.144 38.487 -0.032 0.000 1.118 366 N HN 0.279 nan 8.380 nan 0.000 0.438 367 N N -0.469 118.256 118.700 0.042 0.000 2.721 367 N HA -0.214 4.525 4.740 -0.002 0.000 0.249 367 N C 0.373 175.888 175.510 0.008 0.000 1.072 367 N CA 0.754 53.836 53.050 0.053 0.000 0.710 367 N CB -0.979 37.558 38.487 0.083 0.000 0.993 367 N HN 0.645 nan 8.380 nan 0.000 0.547 368 I N 0.764 121.303 120.570 -0.052 0.000 2.113 368 I HA -0.252 3.917 4.170 -0.002 0.000 0.242 368 I C -0.501 175.463 176.117 -0.254 0.000 1.064 368 I CA 1.874 63.072 61.300 -0.170 0.000 1.320 368 I CB -1.036 36.838 38.000 -0.210 0.000 1.028 368 I HN 0.184 nan 8.210 nan 0.000 0.406 369 P HA -0.241 nan 4.420 nan 0.000 0.216 369 P C 1.596 178.846 177.300 -0.084 0.000 1.153 369 P CA 1.636 64.695 63.100 -0.068 0.000 0.858 369 P CB -0.197 31.622 31.700 0.198 0.000 0.789 370 Y N 0.493 120.672 120.300 -0.202 0.000 2.242 370 Y HA -0.064 4.485 4.550 -0.002 0.000 0.291 370 Y C 2.300 177.969 175.900 -0.386 0.000 1.137 370 Y CA 1.548 59.499 58.100 -0.249 0.000 1.181 370 Y CB -0.962 37.365 38.460 -0.222 0.000 0.989 370 Y HN -0.119 nan 8.280 nan 0.000 0.527 371 A N 0.648 123.129 122.820 -0.565 0.000 1.933 371 A HA -0.110 4.208 4.320 -0.002 0.000 0.218 371 A C 2.169 179.419 177.584 -0.557 0.000 1.175 371 A CA 1.918 53.485 52.037 -0.784 0.000 0.628 371 A CB -0.975 17.588 19.000 -0.729 0.000 0.814 371 A HN 0.573 nan 8.150 nan 0.000 0.444 372 L N -1.371 119.571 121.223 -0.469 0.000 2.102 372 L HA -0.056 4.283 4.340 -0.002 0.000 0.202 372 L C 2.510 179.068 176.870 -0.520 0.000 1.076 372 L CA 1.311 55.898 54.840 -0.422 0.000 0.761 372 L CB -0.603 41.197 42.059 -0.431 0.000 0.921 372 L HN 0.356 nan 8.230 nan 0.000 0.444 373 E N -0.318 119.577 120.200 -0.508 0.000 2.076 373 E HA -0.165 4.183 4.350 -0.002 0.000 0.190 373 E C 2.141 178.475 176.600 -0.444 0.000 0.979 373 E CA 1.238 57.287 56.400 -0.586 0.000 0.807 373 E CB 0.065 29.603 29.700 -0.269 0.000 0.761 373 E HN 0.282 nan 8.360 nan 0.000 0.454 374 V N 0.324 119.995 119.914 -0.405 0.000 2.521 374 V HA -0.029 4.090 4.120 -0.002 0.000 0.239 374 V C 1.789 177.649 176.094 -0.390 0.000 1.053 374 V CA 0.731 62.818 62.300 -0.355 0.000 1.073 374 V CB -0.060 31.581 31.823 -0.305 0.000 0.746 374 V HN 0.173 nan 8.190 nan 0.000 0.476 375 L N 0.184 121.073 121.223 -0.557 0.000 2.007 375 L HA -0.036 4.303 4.340 -0.002 0.000 0.205 375 L C 2.719 179.426 176.870 -0.272 0.000 1.073 375 L CA 1.932 56.512 54.840 -0.434 0.000 0.744 375 L CB -0.847 40.872 42.059 -0.567 0.000 0.898 375 L HN 0.309 nan 8.230 nan 0.000 0.435 376 S N -0.836 114.694 115.700 -0.284 0.000 2.371 376 S HA -0.123 4.346 4.470 -0.002 0.000 0.224 376 S C 2.005 176.547 174.600 -0.096 0.000 1.029 376 S CA 1.593 59.690 58.200 -0.171 0.000 0.978 376 S CB -0.205 62.891 63.200 -0.173 0.000 0.833 376 S HN 0.390 nan 8.310 nan 0.000 0.466 377 T N 1.584 116.051 114.554 -0.145 0.000 2.812 377 T HA 0.010 4.359 4.350 -0.002 0.000 0.264 377 T C 2.095 176.837 174.700 0.071 0.000 1.042 377 T CA 1.227 63.323 62.100 -0.007 0.000 1.140 377 T CB -0.740 67.985 68.868 -0.238 0.000 0.870 377 T HN 0.524 nan 8.240 nan 0.000 0.445 378 G N 1.012 109.782 108.800 -0.050 0.000 2.418 378 G HA2 -0.059 3.900 3.960 -0.002 0.000 0.217 378 G HA3 -0.059 3.900 3.960 -0.002 0.000 0.217 378 G C 1.715 176.609 174.900 -0.010 0.000 1.158 378 G CA 0.964 46.051 45.100 -0.022 0.000 0.771 378 G HN 0.552 nan 8.290 nan 0.000 0.545 379 G N 0.896 109.669 108.800 -0.045 0.000 2.421 379 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.216 379 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.216 379 G C 1.777 176.627 174.900 -0.083 0.000 1.171 379 G CA 0.755 45.827 45.100 -0.048 0.000 0.775 379 G HN 0.423 nan 8.290 nan 0.000 0.543 380 L N -1.316 119.839 121.223 -0.113 0.000 2.291 380 L HA 0.233 4.572 4.340 -0.002 0.000 0.214 380 L C 1.052 177.525 176.870 -0.661 0.000 1.120 380 L CA 0.493 55.119 54.840 -0.356 0.000 0.799 380 L CB 0.045 41.909 42.059 -0.324 0.000 0.925 380 L HN 0.127 nan 8.230 nan 0.000 0.446 381 F N -2.090 117.804 119.950 -0.094 0.000 2.810 381 F HA 0.201 4.727 4.527 -0.002 0.000 0.353 381 F C 1.730 177.496 175.800 -0.055 0.000 1.227 381 F CA -0.212 57.731 58.000 -0.095 0.000 1.210 381 F CB 0.026 38.971 39.000 -0.093 0.000 1.039 381 F HN -0.207 nan 8.300 nan 0.000 0.509 382 S N 0.185 115.917 115.700 0.053 0.000 2.402 382 S HA -0.206 4.263 4.470 -0.002 0.000 0.233 382 S C 1.620 176.248 174.600 0.046 0.000 1.030 382 S CA 1.853 60.077 58.200 0.040 0.000 1.003 382 S CB -0.225 62.984 63.200 0.014 0.000 0.813 382 S HN 0.609 nan 8.310 nan 0.000 0.477 383 D N -0.212 120.219 120.400 0.051 0.000 2.395 383 D HA 0.237 4.875 4.640 -0.002 0.000 0.226 383 D C 1.088 177.436 176.300 0.080 0.000 1.146 383 D CA 0.498 54.529 54.000 0.052 0.000 0.830 383 D CB -0.496 40.328 40.800 0.040 0.000 0.958 383 D HN 0.338 nan 8.370 nan 0.000 0.501 384 G N -0.082 108.782 108.800 0.107 0.000 2.189 384 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.267 384 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.267 384 G C 1.185 176.182 174.900 0.162 0.000 0.975 384 G CA 0.422 45.583 45.100 0.103 0.000 0.644 384 G HN 1.431 nan 8.290 nan 0.000 0.537 385 G N -0.852 108.110 108.800 0.269 0.000 2.143 385 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.249 385 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.249 385 G C 0.922 175.968 174.900 0.243 0.000 0.981 385 G CA 1.462 46.775 45.100 0.355 0.000 0.665 385 G HN 1.335 nan 8.290 nan 0.000 0.528 386 R N 0.796 121.385 120.500 0.148 0.000 2.073 386 R HA 0.098 4.437 4.340 -0.002 0.000 0.229 386 R C 2.749 179.108 176.300 0.099 0.000 1.120 386 R CA 2.423 58.585 56.100 0.104 0.000 0.967 386 R CB -0.520 29.822 30.300 0.070 0.000 0.862 386 R HN 0.358 nan 8.270 nan 0.000 0.436 387 S N 0.437 116.193 115.700 0.095 0.000 2.348 387 S HA -0.159 4.310 4.470 -0.002 0.000 0.221 387 S C 1.480 176.144 174.600 0.107 0.000 1.033 387 S CA 1.358 59.605 58.200 0.079 0.000 1.010 387 S CB -0.599 62.635 63.200 0.056 0.000 0.891 387 S HN 0.375 nan 8.310 nan 0.000 0.442 388 F N 2.516 122.453 119.950 -0.021 0.000 2.045 388 F HA -0.212 4.314 4.527 -0.002 0.000 0.297 388 F C 1.952 177.832 175.800 0.133 0.000 1.114 388 F CA 1.460 59.464 58.000 0.006 0.000 1.207 388 F CB -0.770 38.202 39.000 -0.047 0.000 0.964 388 F HN 0.098 nan 8.300 nan 0.000 0.486 389 L N -0.319 120.949 121.223 0.075 0.000 2.129 389 L HA -0.288 4.051 4.340 -0.002 0.000 0.212 389 L C 2.515 179.407 176.870 0.036 0.000 1.087 389 L CA 1.460 56.307 54.840 0.012 0.000 0.757 389 L CB -0.719 41.372 42.059 0.053 0.000 0.896 389 L HN 0.276 nan 8.230 nan 0.000 0.434 390 Q N 0.320 120.132 119.800 0.020 0.000 2.096 390 Q HA -0.236 4.103 4.340 -0.002 0.000 0.208 390 Q C 1.915 177.900 176.000 -0.024 0.000 0.993 390 Q CA 1.791 57.598 55.803 0.007 0.000 0.862 390 Q CB -0.231 28.513 28.738 0.010 0.000 0.915 390 Q HN 0.453 nan 8.270 nan 0.000 0.416 391 N N -0.825 117.822 118.700 -0.088 0.000 2.334 391 N HA -0.161 4.577 4.740 -0.002 0.000 0.187 391 N C 0.848 176.165 175.510 -0.323 0.000 1.016 391 N CA 1.011 53.930 53.050 -0.219 0.000 0.879 391 N CB -0.161 38.113 38.487 -0.355 0.000 0.965 391 N HN 0.310 nan 8.380 nan 0.000 0.438 392 F N 0.759 120.594 119.950 -0.193 0.000 2.765 392 F HA 0.183 4.709 4.527 -0.003 0.000 0.302 392 F C 0.820 176.560 175.800 -0.100 0.000 1.111 392 F CA -0.233 57.681 58.000 -0.143 0.000 1.359 392 F CB 0.214 39.117 39.000 -0.162 0.000 1.097 392 F HN -0.327 nan 8.300 nan 0.000 0.577 393 K N 0.929 121.355 120.400 0.043 0.000 2.253 393 K HA 0.230 4.548 4.320 -0.002 0.000 0.273 393 K C 1.005 177.592 176.600 -0.022 0.000 1.118 393 K CA 0.946 57.239 56.287 0.009 0.000 1.100 393 K CB -0.475 32.023 32.500 -0.004 0.000 0.932 393 K HN 0.411 nan 8.250 nan 0.000 0.433 394 G N 2.304 111.085 108.800 -0.031 0.000 2.278 394 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.210 394 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.210 394 G C -0.026 174.805 174.900 -0.114 0.000 1.000 394 G CA -0.301 44.755 45.100 -0.074 0.000 0.635 394 G HN 0.597 nan 8.290 nan 0.000 0.495 395 D N 0.125 120.486 120.400 -0.065 0.000 2.329 395 D HA 0.540 5.179 4.640 -0.002 0.000 0.246 395 D C 0.509 176.793 176.300 -0.028 0.000 1.111 395 D CA -0.433 53.542 54.000 -0.041 0.000 0.941 395 D CB 0.406 41.190 40.800 -0.026 0.000 1.169 395 D HN 0.008 nan 8.370 nan 0.000 0.441 396 F N 0.362 120.333 119.950 0.035 0.000 2.496 396 F HA 0.079 4.606 4.527 -0.001 0.000 0.344 396 F C 0.917 176.798 175.800 0.134 0.000 1.155 396 F CA -0.310 57.725 58.000 0.059 0.000 1.302 396 F CB 0.542 39.561 39.000 0.032 0.000 1.159 396 F HN -0.119 nan 8.300 nan 0.000 0.595 397 V N 4.029 124.144 119.914 0.334 0.000 2.364 397 V HA 0.141 4.259 4.120 -0.002 0.000 0.272 397 V C -0.007 176.224 176.094 0.228 0.000 1.036 397 V CA -0.671 61.812 62.300 0.305 0.000 0.880 397 V CB 0.736 32.632 31.823 0.121 0.000 0.991 397 V HN 0.764 nan 8.190 nan 0.000 0.460 398 D N 7.275 127.809 120.400 0.224 0.000 2.472 398 D HA 0.083 4.722 4.640 -0.002 0.000 0.237 398 D C -1.604 174.754 176.300 0.095 0.000 1.141 398 D CA -0.932 53.145 54.000 0.128 0.000 0.875 398 D CB 2.051 42.922 40.800 0.119 0.000 1.192 398 D HN 0.404 nan 8.370 nan 0.000 0.450 399 P HA -0.117 nan 4.420 nan 0.000 0.219 399 P C 1.364 178.677 177.300 0.022 0.000 1.146 399 P CA 0.896 64.014 63.100 0.030 0.000 0.808 399 P CB -0.040 31.665 31.700 0.009 0.000 0.779 400 C N -3.601 115.715 119.300 0.025 0.000 2.562 400 C HA 0.184 4.643 4.460 -0.002 0.000 0.266 400 C C 2.040 177.038 174.990 0.014 0.000 1.382 400 C CA -0.285 58.731 59.018 -0.002 0.000 1.742 400 C CB -2.019 25.714 27.740 -0.012 0.000 1.812 400 C HN 0.036 nan 8.230 nan 0.000 0.559 401 L N 1.809 123.073 121.223 0.069 0.000 2.395 401 L HA 0.287 4.625 4.340 -0.002 0.000 0.218 401 L C 2.122 179.025 176.870 0.054 0.000 1.130 401 L CA 1.629 56.529 54.840 0.100 0.000 0.826 401 L CB -1.674 40.479 42.059 0.157 0.000 0.941 401 L HN 0.741 nan 8.230 nan 0.000 0.451 402 G N -0.164 108.653 108.800 0.028 0.000 2.536 402 G HA2 -0.313 3.645 3.960 -0.002 0.000 0.277 402 G HA3 -0.313 3.645 3.960 -0.002 0.000 0.277 402 G C 0.486 175.397 174.900 0.017 0.000 1.155 402 G CA 0.270 45.379 45.100 0.016 0.000 0.960 402 G HN 0.280 nan 8.290 nan 0.000 0.544 403 D N 0.744 121.155 120.400 0.020 0.000 2.501 403 D HA 0.245 4.883 4.640 -0.002 0.000 0.224 403 D C 2.124 178.425 176.300 0.001 0.000 1.202 403 D CA -0.101 53.902 54.000 0.004 0.000 0.829 403 D CB 0.789 41.590 40.800 0.003 0.000 1.023 403 D HN 0.219 nan 8.370 nan 0.000 0.499 404 L N 1.153 122.390 121.223 0.023 0.000 2.013 404 L HA -0.214 4.125 4.340 -0.002 0.000 0.212 404 L C 1.787 178.650 176.870 -0.012 0.000 1.073 404 L CA 1.736 56.594 54.840 0.030 0.000 0.753 404 L CB -0.330 41.801 42.059 0.120 0.000 0.890 404 L HN -0.033 nan 8.230 nan 0.000 0.432 405 I N -1.017 119.513 120.570 -0.067 0.000 2.163 405 I HA -0.217 3.951 4.170 -0.002 0.000 0.240 405 I C 2.478 178.534 176.117 -0.102 0.000 1.081 405 I CA 1.158 62.364 61.300 -0.157 0.000 1.353 405 I CB -1.634 36.151 38.000 -0.358 0.000 1.054 405 I HN 0.322 nan 8.210 nan 0.000 0.407 406 L N 0.909 122.085 121.223 -0.079 0.000 2.079 406 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 406 L C 2.340 179.177 176.870 -0.055 0.000 1.081 406 L CA 1.721 56.523 54.840 -0.063 0.000 0.752 406 L CB -0.551 41.480 42.059 -0.047 0.000 0.896 406 L HN 0.114 nan 8.230 nan 0.000 0.433 407 I N -1.304 119.239 120.570 -0.045 0.000 2.252 407 I HA -0.295 3.874 4.170 -0.002 0.000 0.245 407 I C 2.196 178.279 176.117 -0.057 0.000 1.102 407 I CA 1.237 62.512 61.300 -0.042 0.000 1.385 407 I CB -0.161 37.815 38.000 -0.042 0.000 1.064 407 I HN 0.256 nan 8.210 nan 0.000 0.414 408 L N -0.189 120.997 121.223 -0.062 0.000 2.131 408 L HA -0.080 4.259 4.340 -0.002 0.000 0.206 408 L C 2.473 179.323 176.870 -0.033 0.000 1.087 408 L CA 0.919 55.731 54.840 -0.047 0.000 0.767 408 L CB -0.496 41.569 42.059 0.010 0.000 0.917 408 L HN 0.051 nan 8.230 nan 0.000 0.441 409 R N 0.120 120.593 120.500 -0.046 0.000 2.249 409 R HA -0.045 4.293 4.340 -0.002 0.000 0.230 409 R C 0.352 176.605 176.300 -0.079 0.000 1.121 409 R CA 0.434 56.501 56.100 -0.054 0.000 0.997 409 R CB -0.412 29.848 30.300 -0.066 0.000 0.867 409 R HN 0.270 nan 8.270 nan 0.000 0.465 410 L N 3.184 124.355 121.223 -0.087 0.000 2.410 410 L HA 0.142 4.481 4.340 -0.002 0.000 0.273 410 L C -1.863 174.920 176.870 -0.145 0.000 1.152 410 L CA -1.899 52.865 54.840 -0.128 0.000 0.855 410 L CB 0.242 42.277 42.059 -0.040 0.000 1.129 410 L HN -0.119 nan 8.230 nan 0.000 0.463 411 P HA 0.022 nan 4.420 nan 0.000 0.271 411 P C 0.590 177.700 177.300 -0.317 0.000 1.220 411 P CA -0.077 62.872 63.100 -0.251 0.000 0.768 411 P CB 1.449 32.969 31.700 -0.299 0.000 0.848 412 S N 3.462 119.098 115.700 -0.106 0.000 2.406 412 S HA -0.192 4.277 4.470 -0.002 0.000 0.242 412 S C 1.534 176.124 174.600 -0.016 0.000 1.079 412 S CA 2.040 60.223 58.200 -0.029 0.000 1.133 412 S CB -0.787 62.449 63.200 0.060 0.000 1.005 412 S HN 0.724 nan 8.310 nan 0.000 0.443 413 W N -0.243 121.100 121.300 0.073 0.000 2.374 413 W HA -0.121 4.537 4.660 -0.004 0.000 0.288 413 W C 1.913 178.489 176.519 0.096 0.000 1.218 413 W CA 0.716 58.102 57.345 0.068 0.000 1.245 413 W CB -1.205 28.295 29.460 0.066 0.000 1.126 413 W HN 0.415 nan 8.180 nan 0.000 0.545 414 F N 2.445 121.881 119.950 -0.857 0.000 2.335 414 F HA 0.081 4.608 4.527 -0.000 0.000 0.296 414 F C 2.464 178.068 175.800 -0.327 0.000 1.091 414 F CA 1.488 59.050 58.000 -0.730 0.000 1.399 414 F CB -0.264 38.033 39.000 -1.172 0.000 1.067 414 F HN -0.320 nan 8.300 nan 0.000 0.520 415 K N -0.124 120.167 120.400 -0.182 0.000 2.103 415 K HA -0.191 4.127 4.320 -0.002 0.000 0.207 415 K C 2.334 178.841 176.600 -0.155 0.000 1.048 415 K CA 1.117 57.315 56.287 -0.149 0.000 0.930 415 K CB -0.226 32.224 32.500 -0.082 0.000 0.716 415 K HN 0.127 nan 8.250 nan 0.000 0.444 416 R N 1.369 121.812 120.500 -0.095 0.000 2.075 416 R HA -0.047 4.291 4.340 -0.002 0.000 0.226 416 R C 2.370 178.623 176.300 -0.079 0.000 1.114 416 R CA 0.843 56.914 56.100 -0.048 0.000 0.972 416 R CB -0.387 29.928 30.300 0.025 0.000 0.869 416 R HN 0.240 nan 8.270 nan 0.000 0.437 417 L N 0.677 121.840 121.223 -0.101 0.000 2.017 417 L HA -0.138 4.200 4.340 -0.002 0.000 0.208 417 L C 2.336 179.044 176.870 -0.269 0.000 1.073 417 L CA 1.416 56.180 54.840 -0.127 0.000 0.745 417 L CB -0.488 41.546 42.059 -0.043 0.000 0.894 417 L HN 0.191 nan 8.230 nan 0.000 0.432 418 L N -0.638 120.276 121.223 -0.515 0.000 2.046 418 L HA -0.221 4.118 4.340 -0.002 0.000 0.208 418 L C 2.752 179.476 176.870 -0.244 0.000 1.077 418 L CA 1.947 56.495 54.840 -0.487 0.000 0.747 418 L CB -0.393 41.261 42.059 -0.674 0.000 0.896 418 L HN 0.585 nan 8.230 nan 0.000 0.432 419 S N -0.188 115.400 115.700 -0.188 0.000 2.370 419 S HA -0.194 4.275 4.470 -0.002 0.000 0.226 419 S C 2.005 176.564 174.600 -0.068 0.000 1.033 419 S CA 1.139 59.278 58.200 -0.102 0.000 1.011 419 S CB -0.201 62.957 63.200 -0.070 0.000 0.852 419 S HN 0.450 nan 8.310 nan 0.000 0.457 420 L N 0.340 121.521 121.223 -0.069 0.000 2.017 420 L HA -0.107 4.232 4.340 -0.002 0.000 0.208 420 L C 2.500 179.350 176.870 -0.033 0.000 1.073 420 L CA 1.041 55.858 54.840 -0.038 0.000 0.745 420 L CB -0.790 41.251 42.059 -0.029 0.000 0.894 420 L HN 0.335 nan 8.230 nan 0.000 0.432 421 L N -0.626 120.564 121.223 -0.055 0.000 1.990 421 L HA -0.280 4.058 4.340 -0.002 0.000 0.213 421 L C 2.439 179.310 176.870 0.003 0.000 1.072 421 L CA 1.675 56.494 54.840 -0.034 0.000 0.755 421 L CB -1.001 41.020 42.059 -0.063 0.000 0.889 421 L HN 0.154 nan 8.230 nan 0.000 0.432 422 L N -0.407 120.808 121.223 -0.012 0.000 2.083 422 L HA -0.220 4.118 4.340 -0.002 0.000 0.209 422 L C 2.484 179.415 176.870 0.101 0.000 1.083 422 L CA 1.513 56.387 54.840 0.056 0.000 0.752 422 L CB -1.334 40.706 42.059 -0.033 0.000 0.899 422 L HN 0.412 nan 8.230 nan 0.000 0.433 423 K N -0.225 120.198 120.400 0.038 0.000 2.089 423 K HA -0.210 4.109 4.320 -0.002 0.000 0.210 423 K C -0.374 176.241 176.600 0.025 0.000 1.048 423 K CA 1.852 58.159 56.287 0.033 0.000 0.926 423 K CB -0.723 31.786 32.500 0.015 0.000 0.714 423 K HN 0.258 nan 8.250 nan 0.000 0.448 424 P HA -0.131 nan 4.420 nan 0.000 0.215 424 P C 1.135 178.386 177.300 -0.082 0.000 1.157 424 P CA 0.884 63.970 63.100 -0.023 0.000 0.859 424 P CB 0.141 31.829 31.700 -0.019 0.000 0.786 425 L N -2.716 118.425 121.223 -0.136 0.000 2.354 425 L HA 0.148 4.487 4.340 -0.002 0.000 0.212 425 L C 0.564 177.012 176.870 -0.703 0.000 1.091 425 L CA 1.108 55.663 54.840 -0.476 0.000 0.828 425 L CB -1.034 40.608 42.059 -0.696 0.000 0.973 425 L HN -0.075 nan 8.230 nan 0.000 0.461 426 F N -0.627 119.294 119.950 -0.047 0.000 2.769 426 F HA 0.341 4.867 4.527 -0.002 0.000 0.358 426 F C -1.729 174.011 175.800 -0.101 0.000 1.285 426 F CA -1.469 56.478 58.000 -0.087 0.000 1.199 426 F CB 0.557 39.458 39.000 -0.165 0.000 1.558 426 F HN -0.136 nan 8.300 nan 0.000 0.583 427 P HA -0.106 nan 4.420 nan 0.000 0.216 427 P C 1.881 179.192 177.300 0.018 0.000 1.153 427 P CA 1.268 64.405 63.100 0.061 0.000 0.844 427 P CB 0.264 32.028 31.700 0.108 0.000 0.787 428 R N -0.730 119.701 120.500 -0.114 0.000 2.112 428 R HA -0.177 4.161 4.340 -0.002 0.000 0.242 428 R C 2.030 178.304 176.300 -0.044 0.000 1.137 428 R CA 1.533 57.536 56.100 -0.161 0.000 0.944 428 R CB -1.250 28.655 30.300 -0.659 0.000 0.857 428 R HN 0.150 nan 8.270 nan 0.000 0.435 429 L N 0.091 121.126 121.223 -0.315 0.000 1.955 429 L HA -0.151 4.188 4.340 -0.002 0.000 0.213 429 L C 2.601 179.421 176.870 -0.082 0.000 1.072 429 L CA 2.111 56.720 54.840 -0.384 0.000 0.755 429 L CB -1.493 40.269 42.059 -0.496 0.000 0.888 429 L HN 0.203 nan 8.230 nan 0.000 0.432 430 A N -0.559 122.232 122.820 -0.049 0.000 1.927 430 A HA -0.279 4.040 4.320 -0.002 0.000 0.220 430 A C 2.479 180.088 177.584 0.042 0.000 1.185 430 A CA 2.549 54.581 52.037 -0.007 0.000 0.639 430 A CB -1.049 17.954 19.000 0.006 0.000 0.820 430 A HN 0.461 nan 8.150 nan 0.000 0.451 431 A N -1.421 121.454 122.820 0.091 0.000 1.877 431 A HA 0.036 4.355 4.320 -0.002 0.000 0.216 431 A C 1.975 179.620 177.584 0.101 0.000 1.186 431 A CA 1.583 53.680 52.037 0.100 0.000 0.620 431 A CB -0.735 18.343 19.000 0.130 0.000 0.822 431 A HN 0.453 nan 8.150 nan 0.000 0.443 432 F N -0.259 119.717 119.950 0.045 0.000 2.075 432 F HA -0.138 4.388 4.527 -0.003 0.000 0.297 432 F C 2.215 178.012 175.800 -0.005 0.000 1.113 432 F CA 1.477 59.517 58.000 0.067 0.000 1.218 432 F CB -0.567 38.558 39.000 0.209 0.000 0.984 432 F HN 0.151 nan 8.300 nan 0.000 0.472 433 L N -0.009 121.315 121.223 0.168 0.000 2.012 433 L HA -0.310 4.029 4.340 -0.002 0.000 0.210 433 L C 2.213 179.080 176.870 -0.006 0.000 1.073 433 L CA 1.947 56.808 54.840 0.035 0.000 0.748 433 L CB -0.524 41.525 42.059 -0.018 0.000 0.891 433 L HN 0.201 nan 8.230 nan 0.000 0.431 434 N N 0.181 118.880 118.700 -0.001 0.000 2.223 434 N HA -0.188 4.551 4.740 -0.002 0.000 0.185 434 N C 1.366 176.866 175.510 -0.017 0.000 1.016 434 N CA 1.131 54.173 53.050 -0.014 0.000 0.863 434 N CB -0.038 38.444 38.487 -0.008 0.000 0.983 434 N HN 0.279 nan 8.380 nan 0.000 0.429 435 N N -0.318 118.365 118.700 -0.027 0.000 2.398 435 N HA 0.072 4.810 4.740 -0.002 0.000 0.188 435 N C -0.090 175.408 175.510 -0.020 0.000 1.122 435 N CA 0.244 53.268 53.050 -0.043 0.000 0.866 435 N CB 0.169 38.592 38.487 -0.106 0.000 0.970 435 N HN 0.415 nan 8.380 nan 0.000 0.462 436 M N 0.547 120.127 119.600 -0.033 0.000 2.738 436 M HA 0.178 4.657 4.480 -0.002 0.000 0.295 436 M C -0.215 176.076 176.300 -0.015 0.000 1.266 436 M CA 0.040 55.308 55.300 -0.054 0.000 0.985 436 M CB 0.436 32.890 32.600 -0.244 0.000 1.365 436 M HN -0.246 nan 8.290 nan 0.000 0.492 437 R N 1.521 122.027 120.500 0.008 0.000 2.604 437 R HA 0.510 4.849 4.340 -0.002 0.000 0.287 437 R C -2.534 173.786 176.300 0.033 0.000 0.970 437 R CA -1.754 54.354 56.100 0.015 0.000 0.946 437 R CB 0.971 31.277 30.300 0.009 0.000 1.127 437 R HN -0.036 nan 8.270 nan 0.000 0.473 438 P HA 0.141 nan 4.420 nan 0.000 0.271 438 P C -0.942 176.373 177.300 0.024 0.000 1.216 438 P CA -0.097 63.025 63.100 0.036 0.000 0.776 438 P CB 0.933 32.656 31.700 0.037 0.000 0.881 439 R N 0.863 121.373 120.500 0.015 0.000 2.960 439 R HA 0.580 4.918 4.340 -0.002 0.000 0.249 439 R C 0.461 176.749 176.300 -0.019 0.000 1.192 439 R CA -0.848 55.253 56.100 0.001 0.000 1.035 439 R CB 0.648 30.947 30.300 -0.000 0.000 1.234 439 R HN 0.500 nan 8.270 nan 0.000 0.493 440 S N -0.169 115.507 115.700 -0.040 0.000 2.645 440 S HA 0.327 4.795 4.470 -0.002 0.000 0.266 440 S C 1.106 175.629 174.600 -0.128 0.000 1.258 440 S CA -0.208 57.944 58.200 -0.080 0.000 0.990 440 S CB 1.424 64.569 63.200 -0.091 0.000 0.967 440 S HN 0.698 nan 8.310 nan 0.000 0.556 441 A N 0.390 123.084 122.820 -0.209 0.000 1.902 441 A HA -0.096 4.222 4.320 -0.002 0.000 0.217 441 A C 2.129 179.365 177.584 -0.580 0.000 1.181 441 A CA 1.723 53.541 52.037 -0.365 0.000 0.623 441 A CB -1.291 17.449 19.000 -0.433 0.000 0.818 441 A HN 1.016 nan 8.150 nan 0.000 0.443 442 E N -0.207 119.699 120.200 -0.489 0.000 2.070 442 E HA -0.246 4.102 4.350 -0.002 0.000 0.197 442 E C 1.873 178.409 176.600 -0.106 0.000 1.004 442 E CA 1.476 57.664 56.400 -0.353 0.000 0.805 442 E CB -0.059 29.525 29.700 -0.194 0.000 0.744 442 E HN 0.421 nan 8.360 nan 0.000 0.451 443 K N 0.426 120.781 120.400 -0.076 0.000 2.097 443 K HA -0.091 4.227 4.320 -0.002 0.000 0.205 443 K C 2.294 178.919 176.600 0.041 0.000 1.050 443 K CA 0.474 56.763 56.287 0.003 0.000 0.938 443 K CB -0.319 32.178 32.500 -0.006 0.000 0.718 443 K HN 0.305 nan 8.250 nan 0.000 0.442 444 L N -0.195 121.035 121.223 0.012 0.000 2.083 444 L HA -0.180 4.159 4.340 -0.002 0.000 0.209 444 L C 2.074 179.082 176.870 0.230 0.000 1.083 444 L CA 1.125 56.013 54.840 0.081 0.000 0.752 444 L CB -0.255 41.837 42.059 0.055 0.000 0.899 444 L HN 0.267 nan 8.230 nan 0.000 0.433 445 W N 0.499 121.821 121.300 0.035 0.000 2.338 445 W HA -0.229 4.430 4.660 -0.001 0.000 0.304 445 W C 2.641 179.206 176.519 0.078 0.000 1.212 445 W CA 1.150 58.522 57.345 0.044 0.000 1.264 445 W CB -0.873 28.604 29.460 0.029 0.000 1.142 445 W HN 0.158 nan 8.180 nan 0.000 0.512 446 K N -0.010 120.577 120.400 0.312 0.000 2.057 446 K HA -0.209 4.110 4.320 -0.002 0.000 0.207 446 K C 2.081 178.795 176.600 0.190 0.000 1.049 446 K CA 1.533 57.963 56.287 0.238 0.000 0.931 446 K CB -0.563 32.036 32.500 0.165 0.000 0.714 446 K HN -0.001 nan 8.250 nan 0.000 0.440 447 L N 1.444 122.751 121.223 0.140 0.000 2.093 447 L HA -0.139 4.200 4.340 -0.002 0.000 0.208 447 L C 2.292 179.214 176.870 0.086 0.000 1.085 447 L CA 1.765 56.650 54.840 0.075 0.000 0.755 447 L CB -0.745 41.336 42.059 0.036 0.000 0.904 447 L HN 0.234 nan 8.230 nan 0.000 0.435 448 Q N -1.110 118.774 119.800 0.139 0.000 2.124 448 Q HA -0.273 4.065 4.340 -0.002 0.000 0.202 448 Q C 2.309 178.407 176.000 0.163 0.000 0.977 448 Q CA 1.999 57.882 55.803 0.133 0.000 0.850 448 Q CB -0.437 28.394 28.738 0.154 0.000 0.901 448 Q HN 0.722 nan 8.270 nan 0.000 0.429 449 H N 0.200 119.314 119.070 0.073 0.000 2.389 449 H HA 0.030 4.584 4.556 -0.002 0.000 0.299 449 H C 1.464 176.840 175.328 0.080 0.000 1.081 449 H CA 1.944 58.029 56.048 0.062 0.000 1.345 449 H CB 0.168 29.968 29.762 0.064 0.000 1.393 449 H HN 0.435 nan 8.280 nan 0.000 0.520 450 E N -0.124 120.077 120.200 0.002 0.000 2.072 450 E HA -0.116 4.232 4.350 -0.002 0.000 0.191 450 E C 2.387 179.017 176.600 0.050 0.000 0.985 450 E CA 1.177 57.565 56.400 -0.021 0.000 0.801 450 E CB -0.018 29.717 29.700 0.058 0.000 0.750 450 E HN 0.497 nan 8.360 nan 0.000 0.452 451 I N 1.304 121.900 120.570 0.044 0.000 2.264 451 I HA -0.274 3.895 4.170 -0.002 0.000 0.248 451 I C 2.652 178.835 176.117 0.110 0.000 1.111 451 I CA 1.137 62.476 61.300 0.066 0.000 1.382 451 I CB -0.165 37.852 38.000 0.028 0.000 1.060 451 I HN 0.151 nan 8.210 nan 0.000 0.418 452 E N 0.811 121.069 120.200 0.096 0.000 2.046 452 E HA -0.219 4.130 4.350 -0.002 0.000 0.190 452 E C 2.362 179.011 176.600 0.082 0.000 0.982 452 E CA 1.187 57.649 56.400 0.103 0.000 0.800 452 E CB -0.008 29.781 29.700 0.148 0.000 0.756 452 E HN 0.383 nan 8.360 nan 0.000 0.449 453 M N -0.279 119.341 119.600 0.034 0.000 2.108 453 M HA -0.207 4.271 4.480 -0.002 0.000 0.261 453 M C 2.168 178.515 176.300 0.077 0.000 1.066 453 M CA 1.565 56.874 55.300 0.014 0.000 1.107 453 M CB -0.357 32.187 32.600 -0.093 0.000 1.356 453 M HN 0.238 nan 8.290 nan 0.000 0.406 454 Y N 0.255 120.564 120.300 0.014 0.000 2.181 454 Y HA -0.260 4.289 4.550 -0.002 0.000 0.288 454 Y C 2.568 178.482 175.900 0.023 0.000 1.146 454 Y CA 1.700 59.823 58.100 0.038 0.000 1.164 454 Y CB -0.114 38.379 38.460 0.054 0.000 0.982 454 Y HN 0.080 nan 8.280 nan 0.000 0.515 455 R N 0.024 120.497 120.500 -0.045 0.000 2.091 455 R HA -0.260 4.079 4.340 -0.002 0.000 0.238 455 R C 2.269 178.561 176.300 -0.014 0.000 1.136 455 R CA 2.088 58.151 56.100 -0.062 0.000 0.959 455 R CB -0.264 30.076 30.300 0.066 0.000 0.856 455 R HN 0.374 nan 8.270 nan 0.000 0.437 456 Q N -0.054 119.751 119.800 0.008 0.000 2.172 456 Q HA -0.099 4.239 4.340 -0.002 0.000 0.200 456 Q C 2.031 178.035 176.000 0.006 0.000 0.964 456 Q CA 1.850 57.669 55.803 0.028 0.000 0.855 456 Q CB 0.021 28.782 28.738 0.039 0.000 0.918 456 Q HN 0.418 nan 8.270 nan 0.000 0.444 457 S N -1.412 114.258 115.700 -0.050 0.000 2.370 457 S HA -0.132 4.337 4.470 -0.002 0.000 0.226 457 S C 1.883 176.454 174.600 -0.049 0.000 1.033 457 S CA 1.450 59.616 58.200 -0.056 0.000 1.011 457 S CB -0.581 62.575 63.200 -0.073 0.000 0.852 457 S HN 0.214 nan 8.310 nan 0.000 0.457 458 V N 1.601 121.437 119.914 -0.130 0.000 2.488 458 V HA 0.021 4.140 4.120 -0.002 0.000 0.246 458 V C 2.441 178.725 176.094 0.318 0.000 1.046 458 V CA 1.474 63.806 62.300 0.053 0.000 1.053 458 V CB -0.678 31.085 31.823 -0.099 0.000 0.679 458 V HN 0.487 nan 8.190 nan 0.000 0.458 459 I N 0.637 121.346 120.570 0.232 0.000 2.264 459 I HA -0.259 3.910 4.170 -0.002 0.000 0.248 459 I C 2.603 178.845 176.117 0.209 0.000 1.111 459 I CA 1.516 62.924 61.300 0.180 0.000 1.382 459 I CB -0.437 37.593 38.000 0.049 0.000 1.060 459 I HN 0.298 nan 8.210 nan 0.000 0.418 460 A N -0.191 122.726 122.820 0.161 0.000 1.898 460 A HA -0.232 4.087 4.320 -0.002 0.000 0.216 460 A C 2.257 179.963 177.584 0.204 0.000 1.181 460 A CA 1.337 53.460 52.037 0.144 0.000 0.620 460 A CB -0.523 18.528 19.000 0.085 0.000 0.819 460 A HN 0.420 nan 8.150 nan 0.000 0.442 461 Q N -1.508 118.443 119.800 0.253 0.000 2.030 461 Q HA -0.215 4.124 4.340 -0.002 0.000 0.204 461 Q C 2.046 178.364 176.000 0.530 0.000 0.986 461 Q CA 1.612 57.609 55.803 0.324 0.000 0.843 461 Q CB -0.280 28.619 28.738 0.269 0.000 0.904 461 Q HN 0.894 nan 8.270 nan 0.000 0.420 462 W N 1.814 123.339 121.300 0.376 0.000 2.317 462 W HA -0.239 4.420 4.660 -0.002 0.000 0.318 462 W C 1.458 177.999 176.519 0.036 0.000 1.227 462 W CA 1.582 58.990 57.345 0.106 0.000 1.269 462 W CB -0.097 29.393 29.460 0.050 0.000 1.155 462 W HN 0.108 nan 8.180 nan 0.000 0.484 463 K N -0.187 120.450 120.400 0.396 0.000 2.217 463 K HA -0.048 4.271 4.320 -0.002 0.000 0.202 463 K C 2.188 178.876 176.600 0.146 0.000 1.051 463 K CA 1.097 57.528 56.287 0.240 0.000 0.952 463 K CB -0.494 32.109 32.500 0.173 0.000 0.736 463 K HN 0.076 nan 8.250 nan 0.000 0.453 464 A N 1.234 124.146 122.820 0.153 0.000 1.972 464 A HA -0.079 4.240 4.320 -0.002 0.000 0.219 464 A C 1.913 179.549 177.584 0.086 0.000 1.169 464 A CA 1.276 53.377 52.037 0.107 0.000 0.635 464 A CB -0.274 18.791 19.000 0.109 0.000 0.810 464 A HN 0.190 nan 8.150 nan 0.000 0.446 465 M N -1.134 118.522 119.600 0.093 0.000 2.453 465 M HA 0.122 4.601 4.480 -0.002 0.000 0.239 465 M C 0.437 176.715 176.300 -0.038 0.000 1.151 465 M CA -0.150 55.171 55.300 0.035 0.000 0.989 465 M CB 0.087 32.730 32.600 0.071 0.000 1.548 465 M HN 0.438 nan 8.290 nan 0.000 0.479 466 N N 1.730 120.426 118.700 -0.007 0.000 2.716 466 N HA -0.174 4.564 4.740 -0.002 0.000 0.250 466 N C -0.999 174.449 175.510 -0.104 0.000 1.033 466 N CA 0.478 53.521 53.050 -0.012 0.000 0.727 466 N CB -1.021 37.467 38.487 0.001 0.000 0.950 466 N HN 0.407 nan 8.380 nan 0.000 0.541 467 L N -0.528 120.515 121.223 -0.299 0.000 2.452 467 L HA 0.140 4.479 4.340 -0.002 0.000 0.267 467 L C 1.442 178.190 176.870 -0.202 0.000 1.188 467 L CA -0.379 54.138 54.840 -0.537 0.000 0.821 467 L CB 0.421 41.659 42.059 -1.369 0.000 1.102 467 L HN 0.171 nan 8.230 nan 0.000 0.470 468 D N 0.308 120.608 120.400 -0.168 0.000 2.369 468 D HA 0.091 4.730 4.640 -0.002 0.000 0.231 468 D C 0.132 176.508 176.300 0.128 0.000 0.967 468 D CA 0.980 54.998 54.000 0.031 0.000 0.905 468 D CB 0.990 41.755 40.800 -0.058 0.000 1.044 468 D HN 0.218 nan 8.370 nan 0.000 0.487 469 V N 0.341 120.122 119.914 -0.222 0.000 3.188 469 V HA 0.526 4.645 4.120 -0.002 0.000 0.305 469 V C -2.135 173.637 176.094 -0.536 0.000 1.232 469 V CA -0.882 61.266 62.300 -0.254 0.000 1.043 469 V CB 2.818 34.281 31.823 -0.601 0.000 1.068 469 V HN -0.041 nan 8.190 nan 0.000 0.439 470 L N 4.665 125.725 121.223 -0.270 0.000 2.381 470 L HA 0.741 5.080 4.340 -0.002 0.000 0.274 470 L C -1.394 175.502 176.870 0.044 0.000 0.988 470 L CA -0.374 54.344 54.840 -0.204 0.000 0.824 470 L CB 1.587 43.604 42.059 -0.071 0.000 1.263 470 L HN 0.765 nan 8.230 nan 0.000 0.410 471 L N 5.185 126.464 121.223 0.092 0.000 2.272 471 L HA 0.818 5.157 4.340 -0.002 0.000 0.289 471 L C -0.058 176.786 176.870 -0.044 0.000 1.032 471 L CA 0.473 55.419 54.840 0.176 0.000 0.810 471 L CB 1.317 43.533 42.059 0.262 0.000 1.205 471 L HN 0.893 nan 8.230 nan 0.000 0.422 472 T N 2.816 117.280 114.554 -0.150 0.000 2.887 472 T HA 0.784 5.132 4.350 -0.002 0.000 0.292 472 T C -2.882 171.691 174.700 -0.211 0.000 1.087 472 T CA -2.145 59.711 62.100 -0.406 0.000 1.009 472 T CB 1.954 70.542 68.868 -0.466 0.000 1.203 472 T HN 0.351 nan 8.240 nan 0.000 0.518 473 P HA 0.481 nan 4.420 nan 0.000 0.274 473 P C -0.979 176.155 177.300 -0.277 0.000 1.256 473 P CA -0.640 62.294 63.100 -0.276 0.000 0.795 473 P CB 0.322 31.741 31.700 -0.469 0.000 1.038 474 M N 1.372 120.825 119.600 -0.244 0.000 2.457 474 M HA 0.423 4.902 4.480 -0.002 0.000 0.300 474 M C -1.591 174.665 176.300 -0.074 0.000 1.141 474 M CA -1.439 53.785 55.300 -0.125 0.000 0.901 474 M CB 1.255 33.816 32.600 -0.065 0.000 1.687 474 M HN 0.070 nan 8.290 nan 0.000 0.449 475 L N 4.020 125.294 121.223 0.085 0.000 2.525 475 L HA 0.607 4.946 4.340 -0.002 0.000 0.278 475 L C 0.185 177.259 176.870 0.341 0.000 1.218 475 L CA 1.670 56.669 54.840 0.266 0.000 0.878 475 L CB 0.054 42.417 42.059 0.507 0.000 1.127 475 L HN 0.909 nan 8.230 nan 0.000 0.492 476 G N 4.242 113.163 108.800 0.201 0.000 2.340 476 G HA2 0.306 4.264 3.960 -0.002 0.000 0.300 476 G HA3 0.306 4.264 3.960 -0.002 0.000 0.300 476 G C -3.283 171.583 174.900 -0.056 0.000 1.488 476 G CA -0.590 44.541 45.100 0.051 0.000 0.878 476 G HN 0.553 nan 8.290 nan 0.000 0.618 477 P HA 0.486 nan 4.420 nan 0.000 0.286 477 P C 0.480 177.474 177.300 -0.509 0.000 1.293 477 P CA 0.244 63.198 63.100 -0.244 0.000 0.770 477 P CB 0.555 32.127 31.700 -0.213 0.000 1.206 478 A N 0.145 122.533 122.820 -0.720 0.000 2.531 478 A HA 0.183 4.501 4.320 -0.002 0.000 0.236 478 A C 0.244 177.422 177.584 -0.677 0.000 1.062 478 A CA 0.114 51.416 52.037 -1.225 0.000 0.760 478 A CB -0.995 17.617 19.000 -0.648 0.000 0.995 478 A HN 0.382 nan 8.150 nan 0.000 0.501 479 L N 2.053 122.906 121.223 -0.616 0.000 2.453 479 L HA 0.235 4.574 4.340 -0.002 0.000 0.261 479 L C 0.612 177.374 176.870 -0.179 0.000 1.179 479 L CA 0.102 54.785 54.840 -0.262 0.000 0.813 479 L CB 0.157 42.131 42.059 -0.141 0.000 1.110 479 L HN 0.622 nan 8.230 nan 0.000 0.466 480 D N 0.711 121.034 120.400 -0.128 0.000 2.378 480 D HA 0.103 4.741 4.640 -0.002 0.000 0.238 480 D C 0.061 176.316 176.300 -0.075 0.000 1.180 480 D CA -0.425 53.523 54.000 -0.088 0.000 0.895 480 D CB 0.422 41.179 40.800 -0.071 0.000 1.192 480 D HN 0.067 nan 8.370 nan 0.000 0.438 481 L N 2.424 123.617 121.223 -0.050 0.000 2.554 481 L HA -0.118 4.221 4.340 -0.002 0.000 0.293 481 L C 1.311 178.148 176.870 -0.055 0.000 1.252 481 L CA 0.533 55.348 54.840 -0.042 0.000 0.862 481 L CB -0.671 41.373 42.059 -0.024 0.000 1.113 481 L HN 0.457 nan 8.230 nan 0.000 0.510 482 N N 0.264 118.927 118.700 -0.063 0.000 2.732 482 N HA -0.225 4.514 4.740 -0.002 0.000 0.250 482 N C 1.158 176.615 175.510 -0.088 0.000 1.097 482 N CA 1.351 54.360 53.050 -0.067 0.000 0.812 482 N CB -0.959 37.504 38.487 -0.041 0.000 1.148 482 N HN 0.901 nan 8.380 nan 0.000 0.572 483 T N -4.412 110.072 114.554 -0.117 0.000 3.040 483 T HA 0.152 4.500 4.350 -0.002 0.000 0.252 483 T C -1.111 173.464 174.700 -0.209 0.000 1.064 483 T CA 0.222 62.248 62.100 -0.123 0.000 1.110 483 T CB -0.187 68.622 68.868 -0.097 0.000 0.921 483 T HN -0.003 nan 8.240 nan 0.000 0.480 484 P HA 0.023 nan 4.420 nan 0.000 0.216 484 P C 1.802 178.756 177.300 -0.577 0.000 1.150 484 P CA 1.391 63.993 63.100 -0.831 0.000 0.837 484 P CB -0.691 30.156 31.700 -1.421 0.000 0.786 485 G N -0.770 107.825 108.800 -0.342 0.000 2.708 485 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.210 485 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.210 485 G C 1.265 176.111 174.900 -0.090 0.000 1.141 485 G CA 0.182 45.183 45.100 -0.165 0.000 0.788 485 G HN 0.306 nan 8.290 nan 0.000 0.531 486 R N -0.773 119.668 120.500 -0.098 0.000 2.549 486 R HA 0.365 4.704 4.340 -0.002 0.000 0.344 486 R C 0.521 176.821 176.300 -0.001 0.000 0.979 486 R CA 0.233 56.333 56.100 -0.001 0.000 1.140 486 R CB 1.042 31.354 30.300 0.021 0.000 1.377 486 R HN 0.168 nan 8.270 nan 0.000 0.541 487 A N 0.562 123.295 122.820 -0.146 0.000 3.248 487 A HA 0.249 4.567 4.320 -0.002 0.000 0.315 487 A C 0.578 177.947 177.584 -0.358 0.000 0.974 487 A CA -0.390 51.541 52.037 -0.177 0.000 0.939 487 A CB 0.301 19.309 19.000 0.012 0.000 1.061 487 A HN -0.029 nan 8.150 nan 0.000 0.481 488 T N -0.098 113.867 114.554 -0.981 0.000 2.904 488 T HA -0.056 4.292 4.350 -0.002 0.000 0.267 488 T C 2.154 176.323 174.700 -0.885 0.000 1.059 488 T CA 1.885 63.444 62.100 -0.902 0.000 1.137 488 T CB -0.020 68.230 68.868 -1.030 0.000 0.879 488 T HN 0.709 nan 8.240 nan 0.000 0.467 489 G N 1.336 109.441 108.800 -1.160 0.000 2.475 489 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.220 489 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.220 489 G C 1.711 176.634 174.900 0.038 0.000 1.125 489 G CA 0.870 45.777 45.100 -0.322 0.000 0.755 489 G HN 0.582 nan 8.290 nan 0.000 0.565 490 A N 0.041 122.872 122.820 0.018 0.000 2.178 490 A HA 0.158 4.477 4.320 -0.002 0.000 0.218 490 A C 2.366 180.035 177.584 0.141 0.000 1.157 490 A CA 1.335 53.471 52.037 0.164 0.000 0.689 490 A CB -0.274 18.847 19.000 0.201 0.000 0.787 490 A HN 0.271 nan 8.150 nan 0.000 0.465 491 V N 0.980 120.906 119.914 0.020 0.000 2.913 491 V HA -0.226 3.893 4.120 -0.002 0.000 0.260 491 V C 2.808 178.960 176.094 0.097 0.000 1.098 491 V CA 1.898 64.247 62.300 0.081 0.000 1.121 491 V CB -0.912 30.911 31.823 0.000 0.000 0.714 491 V HN 0.852 nan 8.190 nan 0.000 0.487 492 S N -0.170 115.582 115.700 0.086 0.000 2.374 492 S HA -0.305 4.164 4.470 -0.002 0.000 0.227 492 S C 1.900 176.464 174.600 -0.059 0.000 1.037 492 S CA 1.796 59.967 58.200 -0.050 0.000 1.024 492 S CB -0.808 62.353 63.200 -0.065 0.000 0.861 492 S HN 0.566 nan 8.310 nan 0.000 0.456 493 Y N 3.119 123.519 120.300 0.167 0.000 2.224 493 Y HA -0.094 4.454 4.550 -0.002 0.000 0.289 493 Y C 3.298 179.297 175.900 0.165 0.000 1.146 493 Y CA 1.443 59.666 58.100 0.205 0.000 1.182 493 Y CB -1.075 37.502 38.460 0.194 0.000 0.983 493 Y HN 0.629 nan 8.280 nan 0.000 0.524 494 T N -3.148 111.489 114.554 0.138 0.000 2.925 494 T HA -0.138 4.211 4.350 -0.002 0.000 0.245 494 T C 1.931 176.653 174.700 0.037 0.000 1.025 494 T CA 0.863 62.967 62.100 0.005 0.000 1.149 494 T CB -0.726 67.899 68.868 -0.406 0.000 0.866 494 T HN 0.309 nan 8.240 nan 0.000 0.437 495 M N 0.857 120.443 119.600 -0.024 0.000 2.202 495 M HA 0.039 4.518 4.480 -0.002 0.000 0.262 495 M C 2.078 178.313 176.300 -0.109 0.000 1.063 495 M CA 1.128 56.401 55.300 -0.046 0.000 1.097 495 M CB -0.544 32.035 32.600 -0.036 0.000 1.382 495 M HN 0.253 nan 8.290 nan 0.000 0.413 496 L N 0.234 121.345 121.223 -0.187 0.000 2.064 496 L HA -0.258 4.080 4.340 -0.002 0.000 0.216 496 L C 1.488 178.060 176.870 -0.497 0.000 1.077 496 L CA 2.150 56.747 54.840 -0.405 0.000 0.766 496 L CB -0.992 40.697 42.059 -0.617 0.000 0.890 496 L HN 0.483 nan 8.230 nan 0.000 0.435 497 Y N -1.457 118.818 120.300 -0.041 0.000 2.482 497 Y HA 0.082 4.631 4.550 -0.002 0.000 0.270 497 Y C 2.079 177.946 175.900 -0.054 0.000 1.152 497 Y CA 0.504 58.563 58.100 -0.068 0.000 1.292 497 Y CB -0.600 37.869 38.460 0.015 0.000 1.070 497 Y HN 0.340 nan 8.280 nan 0.000 0.528 498 N N -0.770 117.948 118.700 0.029 0.000 2.148 498 N HA -0.168 4.571 4.740 -0.002 0.000 0.186 498 N C 1.901 177.396 175.510 -0.025 0.000 1.031 498 N CA 1.331 54.385 53.050 0.006 0.000 0.848 498 N CB -0.712 37.770 38.487 -0.009 0.000 1.005 498 N HN 0.277 nan 8.380 nan 0.000 0.427 499 C N 0.825 120.085 119.300 -0.066 0.000 2.363 499 C HA -0.131 4.327 4.460 -0.002 0.000 0.274 499 C C 2.212 177.172 174.990 -0.050 0.000 1.183 499 C CA 1.010 59.983 59.018 -0.075 0.000 1.771 499 C CB -1.233 26.431 27.740 -0.125 0.000 2.059 499 C HN 0.422 nan 8.230 nan 0.000 0.455 500 L N -0.261 120.887 121.223 -0.125 0.000 2.492 500 L HA 0.084 4.423 4.340 -0.002 0.000 0.223 500 L C 0.989 177.846 176.870 -0.023 0.000 1.132 500 L CA 1.080 55.788 54.840 -0.220 0.000 0.850 500 L CB -0.479 41.128 42.059 -0.753 0.000 0.966 500 L HN 0.349 nan 8.230 nan 0.000 0.454 501 D N 0.302 120.725 120.400 0.038 0.000 2.689 501 D HA -0.253 4.386 4.640 -0.002 0.000 0.237 501 D C -0.328 176.130 176.300 0.263 0.000 1.148 501 D CA 0.625 54.681 54.000 0.093 0.000 0.656 501 D CB -1.227 39.593 40.800 0.034 0.000 1.050 501 D HN 0.172 nan 8.370 nan 0.000 0.426 502 F N -0.052 119.888 119.950 -0.016 0.000 2.397 502 F HA 0.414 4.940 4.527 -0.002 0.000 0.331 502 F C -1.319 174.438 175.800 -0.072 0.000 1.090 502 F CA -2.421 55.539 58.000 -0.067 0.000 1.065 502 F CB 1.480 40.503 39.000 0.039 0.000 1.184 502 F HN -0.133 nan 8.300 nan 0.000 0.499 503 P HA 0.107 nan 4.420 nan 0.000 0.267 503 P C -1.311 176.009 177.300 0.033 0.000 1.205 503 P CA 0.037 63.138 63.100 0.000 0.000 0.765 503 P CB 0.998 32.671 31.700 -0.046 0.000 0.828 504 A N 3.103 125.933 122.820 0.017 0.000 2.398 504 A HA 0.767 5.085 4.320 -0.002 0.000 0.301 504 A C -0.170 177.404 177.584 -0.017 0.000 1.041 504 A CA -0.496 51.528 52.037 -0.022 0.000 0.711 504 A CB 1.714 20.682 19.000 -0.053 0.000 1.240 504 A HN 0.575 nan 8.150 nan 0.000 0.420 505 G N -0.448 108.342 108.800 -0.017 0.000 2.658 505 G HA2 0.651 4.609 3.960 -0.002 0.000 0.292 505 G HA3 0.651 4.609 3.960 -0.002 0.000 0.292 505 G C -1.693 173.181 174.900 -0.043 0.000 1.320 505 G CA -0.690 44.398 45.100 -0.020 0.000 0.933 505 G HN 1.211 nan 8.290 nan 0.000 0.476 506 V N -0.058 119.829 119.914 -0.045 0.000 2.709 506 V HA 0.711 4.830 4.120 -0.002 0.000 0.308 506 V C -0.860 175.205 176.094 -0.049 0.000 1.062 506 V CA -0.702 61.564 62.300 -0.057 0.000 0.901 506 V CB 1.916 33.701 31.823 -0.063 0.000 1.003 506 V HN 1.107 nan 8.190 nan 0.000 0.425 507 V N 7.082 126.956 119.914 -0.066 0.000 2.638 507 V HA 0.778 4.897 4.120 -0.002 0.000 0.306 507 V C -2.766 173.296 176.094 -0.054 0.000 1.052 507 V CA -2.342 59.923 62.300 -0.058 0.000 0.885 507 V CB 2.594 34.368 31.823 -0.083 0.000 0.999 507 V HN 0.769 nan 8.190 nan 0.000 0.424 508 P HA 0.250 nan 4.420 nan 0.000 0.271 508 P C 0.464 177.738 177.300 -0.044 0.000 1.220 508 P CA 0.283 63.362 63.100 -0.034 0.000 0.768 508 P CB 1.290 32.985 31.700 -0.009 0.000 0.848 509 V N 0.047 119.927 119.914 -0.057 0.000 3.562 509 V HA 0.355 4.474 4.120 -0.002 0.000 0.270 509 V C 0.488 176.553 176.094 -0.049 0.000 1.418 509 V CA 0.637 62.903 62.300 -0.056 0.000 1.033 509 V CB 0.351 32.133 31.823 -0.070 0.000 0.820 509 V HN 0.563 nan 8.190 nan 0.000 0.441 510 T N 0.480 114.998 114.554 -0.061 0.000 2.693 510 T HA 0.597 4.946 4.350 -0.002 0.000 0.304 510 T C -1.038 173.607 174.700 -0.092 0.000 1.471 510 T CA 0.519 62.584 62.100 -0.059 0.000 0.993 510 T CB 1.817 70.654 68.868 -0.051 0.000 1.554 510 T HN 0.841 nan 8.240 nan 0.000 0.496 511 T N -0.822 113.681 114.554 -0.085 0.000 2.906 511 T HA 0.698 5.047 4.350 -0.002 0.000 0.295 511 T C -0.539 174.108 174.700 -0.088 0.000 1.061 511 T CA -0.684 61.342 62.100 -0.123 0.000 1.000 511 T CB 1.134 69.930 68.868 -0.121 0.000 1.103 511 T HN 0.478 nan 8.240 nan 0.000 0.486 512 V N 3.741 123.593 119.914 -0.105 0.000 2.529 512 V HA 0.321 4.439 4.120 -0.002 0.000 0.292 512 V C 1.439 177.505 176.094 -0.048 0.000 1.028 512 V CA -0.072 62.183 62.300 -0.075 0.000 1.074 512 V CB 0.027 31.796 31.823 -0.089 0.000 0.958 512 V HN 1.196 nan 8.190 nan 0.000 0.481 513 T N 2.498 117.032 114.554 -0.032 0.000 2.881 513 T HA 0.569 4.917 4.350 -0.002 0.000 0.278 513 T C 1.273 175.964 174.700 -0.016 0.000 0.982 513 T CA -0.117 61.972 62.100 -0.018 0.000 0.989 513 T CB 1.652 70.513 68.868 -0.011 0.000 1.058 513 T HN 0.689 nan 8.240 nan 0.000 0.529 514 A N -0.296 122.519 122.820 -0.009 0.000 1.969 514 A HA -0.029 4.289 4.320 -0.002 0.000 0.218 514 A C 2.264 179.845 177.584 -0.005 0.000 1.169 514 A CA 1.636 53.669 52.037 -0.007 0.000 0.635 514 A CB -1.041 17.958 19.000 -0.002 0.000 0.810 514 A HN 1.033 nan 8.150 nan 0.000 0.445 515 E N 0.100 120.299 120.200 -0.002 0.000 2.031 515 E HA -0.255 4.094 4.350 -0.002 0.000 0.193 515 E C 1.275 177.876 176.600 0.002 0.000 0.994 515 E CA 1.405 57.806 56.400 0.001 0.000 0.800 515 E CB -0.199 29.502 29.700 0.003 0.000 0.752 515 E HN 0.515 nan 8.360 nan 0.000 0.447 516 D N 0.569 120.968 120.400 -0.002 0.000 2.133 516 D HA -0.210 4.429 4.640 -0.002 0.000 0.192 516 D C 1.640 177.937 176.300 -0.005 0.000 1.001 516 D CA 1.722 55.721 54.000 -0.003 0.000 0.844 516 D CB -0.435 40.355 40.800 -0.015 0.000 0.944 516 D HN 0.289 nan 8.370 nan 0.000 0.447 517 D N -0.530 119.861 120.400 -0.014 0.000 2.162 517 D HA 0.037 4.676 4.640 -0.002 0.000 0.203 517 D C 1.925 178.218 176.300 -0.011 0.000 0.967 517 D CA 1.150 55.137 54.000 -0.022 0.000 0.840 517 D CB 0.024 40.807 40.800 -0.028 0.000 0.972 517 D HN 0.106 nan 8.370 nan 0.000 0.482 518 A N 0.084 122.902 122.820 -0.003 0.000 1.933 518 A HA -0.195 4.124 4.320 -0.002 0.000 0.218 518 A C 2.071 179.662 177.584 0.012 0.000 1.175 518 A CA 1.261 53.300 52.037 0.003 0.000 0.628 518 A CB -0.584 18.419 19.000 0.004 0.000 0.814 518 A HN 0.280 nan 8.150 nan 0.000 0.444 519 Q N -1.279 118.532 119.800 0.018 0.000 2.224 519 Q HA -0.079 4.259 4.340 -0.002 0.000 0.203 519 Q C 1.886 177.920 176.000 0.056 0.000 0.970 519 Q CA 0.974 56.798 55.803 0.034 0.000 0.865 519 Q CB -0.207 28.552 28.738 0.036 0.000 0.922 519 Q HN 0.496 nan 8.270 nan 0.000 0.445 520 M N 0.320 119.945 119.600 0.040 0.000 2.337 520 M HA -0.188 4.290 4.480 -0.002 0.000 0.261 520 M C 1.437 177.775 176.300 0.065 0.000 1.067 520 M CA 1.265 56.591 55.300 0.044 0.000 1.074 520 M CB -0.452 32.125 32.600 -0.039 0.000 1.395 520 M HN 0.104 nan 8.290 nan 0.000 0.431 521 E N -0.053 120.173 120.200 0.044 0.000 2.409 521 E HA -0.038 4.311 4.350 -0.002 0.000 0.198 521 E C 1.549 178.185 176.600 0.060 0.000 1.024 521 E CA 0.658 57.083 56.400 0.042 0.000 0.861 521 E CB -0.115 29.599 29.700 0.024 0.000 0.788 521 E HN 0.509 nan 8.360 nan 0.000 0.521 522 L N -0.759 120.509 121.223 0.075 0.000 2.640 522 L HA 0.173 4.511 4.340 -0.002 0.000 0.230 522 L C 0.205 177.125 176.870 0.084 0.000 1.123 522 L CA -0.461 54.417 54.840 0.063 0.000 0.900 522 L CB 0.074 42.158 42.059 0.041 0.000 1.146 522 L HN 0.080 nan 8.230 nan 0.000 0.484 523 Y N 1.865 122.157 120.300 -0.013 0.000 2.620 523 Y HA -0.061 4.487 4.550 -0.002 0.000 0.330 523 Y C 1.155 177.039 175.900 -0.026 0.000 1.186 523 Y CA 0.666 58.751 58.100 -0.025 0.000 1.467 523 Y CB 0.500 38.948 38.460 -0.019 0.000 1.262 523 Y HN -0.048 nan 8.280 nan 0.000 0.550 524 K N 3.903 124.161 120.400 -0.237 0.000 2.474 524 K HA 0.317 4.635 4.320 -0.002 0.000 0.204 524 K C 0.356 176.864 176.600 -0.153 0.000 1.220 524 K CA 0.452 56.678 56.287 -0.102 0.000 0.966 524 K CB 0.695 33.133 32.500 -0.102 0.000 1.049 524 K HN 0.987 nan 8.250 nan 0.000 0.554 525 G N 0.709 109.192 108.800 -0.529 0.000 2.730 525 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.686 525 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.686 525 G C -0.222 174.465 174.900 -0.354 0.000 1.343 525 G CA -0.524 44.372 45.100 -0.341 0.000 0.826 525 G HN 0.086 nan 8.290 nan 0.000 0.582 526 Y N -0.182 120.050 120.300 -0.112 0.000 2.397 526 Y HA 0.332 4.881 4.550 -0.002 0.000 0.292 526 Y C 2.510 178.150 175.900 -0.434 0.000 1.115 526 Y CA 1.389 59.303 58.100 -0.311 0.000 1.208 526 Y CB -0.123 38.065 38.460 -0.454 0.000 1.046 526 Y HN 0.455 nan 8.280 nan 0.000 0.552 527 F N -1.432 118.561 119.950 0.071 0.000 2.656 527 F HA 0.328 4.854 4.527 -0.002 0.000 0.291 527 F C 2.135 177.941 175.800 0.010 0.000 1.122 527 F CA 0.629 58.641 58.000 0.020 0.000 1.427 527 F CB -0.237 38.763 39.000 0.000 0.000 1.125 527 F HN 0.051 nan 8.300 nan 0.000 0.583 528 G N 0.789 109.703 108.800 0.190 0.000 2.196 528 G HA2 -0.362 3.596 3.960 -0.002 0.000 0.268 528 G HA3 -0.362 3.596 3.960 -0.002 0.000 0.268 528 G C 0.070 175.091 174.900 0.201 0.000 0.975 528 G CA 0.584 45.767 45.100 0.139 0.000 0.648 528 G HN 0.468 nan 8.290 nan 0.000 0.538 529 D N -0.458 120.095 120.400 0.255 0.000 2.346 529 D HA 0.265 4.903 4.640 -0.002 0.000 0.249 529 D C 1.745 178.095 176.300 0.084 0.000 1.308 529 D CA -0.466 53.684 54.000 0.249 0.000 0.987 529 D CB 0.165 41.019 40.800 0.090 0.000 1.114 529 D HN 0.093 nan 8.370 nan 0.000 0.529 530 I N -0.739 119.764 120.570 -0.111 0.000 2.614 530 I HA -0.164 4.005 4.170 -0.002 0.000 0.258 530 I C 0.995 177.177 176.117 0.108 0.000 1.189 530 I CA 0.726 61.988 61.300 -0.064 0.000 1.462 530 I CB -0.128 37.765 38.000 -0.178 0.000 1.092 530 I HN 0.411 nan 8.210 nan 0.000 0.442 531 W N 1.315 122.601 121.300 -0.024 0.000 2.358 531 W HA -0.184 4.475 4.660 -0.003 0.000 0.303 531 W C 2.319 178.868 176.519 0.050 0.000 1.208 531 W CA 0.596 57.933 57.345 -0.013 0.000 1.274 531 W CB -1.429 27.993 29.460 -0.063 0.000 1.138 531 W HN 0.210 nan 8.180 nan 0.000 0.515 532 D N -0.150 120.448 120.400 0.331 0.000 2.178 532 D HA -0.110 4.528 4.640 -0.002 0.000 0.202 532 D C 2.220 178.657 176.300 0.228 0.000 0.974 532 D CA 1.223 55.400 54.000 0.295 0.000 0.841 532 D CB -0.316 40.647 40.800 0.272 0.000 0.953 532 D HN 0.163 nan 8.370 nan 0.000 0.478 533 I N 0.153 120.825 120.570 0.171 0.000 2.233 533 I HA -0.205 3.964 4.170 -0.002 0.000 0.243 533 I C 2.100 178.265 176.117 0.080 0.000 1.093 533 I CA 0.416 61.786 61.300 0.115 0.000 1.380 533 I CB -0.042 38.010 38.000 0.087 0.000 1.067 533 I HN -0.090 nan 8.210 nan 0.000 0.413 534 I N 0.376 121.002 120.570 0.093 0.000 2.226 534 I HA -0.269 3.900 4.170 -0.002 0.000 0.245 534 I C 2.306 178.437 176.117 0.023 0.000 1.100 534 I CA 1.388 62.721 61.300 0.056 0.000 1.374 534 I CB -0.557 37.489 38.000 0.077 0.000 1.057 534 I HN 0.143 nan 8.210 nan 0.000 0.413 535 L N 0.656 121.910 121.223 0.051 0.000 2.017 535 L HA -0.225 4.114 4.340 -0.002 0.000 0.208 535 L C 2.516 179.295 176.870 -0.152 0.000 1.073 535 L CA 1.931 56.764 54.840 -0.011 0.000 0.745 535 L CB -0.852 41.245 42.059 0.064 0.000 0.894 535 L HN 0.234 nan 8.230 nan 0.000 0.432 536 K N -0.220 120.083 120.400 -0.161 0.000 2.000 536 K HA -0.321 3.998 4.320 -0.002 0.000 0.218 536 K C 2.355 178.847 176.600 -0.180 0.000 1.053 536 K CA 2.420 58.541 56.287 -0.276 0.000 0.946 536 K CB -0.385 32.100 32.500 -0.024 0.000 0.723 536 K HN 0.275 nan 8.250 nan 0.000 0.446 537 K N -0.222 120.128 120.400 -0.083 0.000 2.063 537 K HA -0.162 4.157 4.320 -0.002 0.000 0.208 537 K C 2.004 178.553 176.600 -0.086 0.000 1.048 537 K CA 1.399 57.648 56.287 -0.064 0.000 0.928 537 K CB -0.238 32.242 32.500 -0.032 0.000 0.713 537 K HN 0.350 nan 8.250 nan 0.000 0.442 538 A N 0.758 123.522 122.820 -0.094 0.000 1.969 538 A HA -0.109 4.210 4.320 -0.002 0.000 0.218 538 A C 1.959 179.462 177.584 -0.136 0.000 1.169 538 A CA 1.385 53.361 52.037 -0.102 0.000 0.635 538 A CB -0.321 18.625 19.000 -0.091 0.000 0.810 538 A HN 0.339 nan 8.150 nan 0.000 0.445 539 M N -0.544 118.958 119.600 -0.164 0.000 2.595 539 M HA 0.046 4.525 4.480 -0.002 0.000 0.248 539 M C 0.331 176.541 176.300 -0.151 0.000 1.119 539 M CA 0.461 55.652 55.300 -0.182 0.000 1.079 539 M CB -0.035 32.434 32.600 -0.219 0.000 1.472 539 M HN 0.187 nan 8.290 nan 0.000 0.501 540 K N 1.454 121.779 120.400 -0.125 0.000 2.149 540 K HA 0.044 4.363 4.320 -0.002 0.000 0.245 540 K C 0.582 177.136 176.600 -0.077 0.000 1.024 540 K CA -0.287 55.946 56.287 -0.090 0.000 0.899 540 K CB 0.214 32.672 32.500 -0.070 0.000 1.038 540 K HN 0.091 nan 8.250 nan 0.000 0.496 541 N N 0.975 119.641 118.700 -0.057 0.000 2.642 541 N HA -0.179 4.560 4.740 -0.002 0.000 0.269 541 N C -1.209 174.269 175.510 -0.055 0.000 1.073 541 N CA 0.627 53.650 53.050 -0.045 0.000 0.748 541 N CB -0.746 37.720 38.487 -0.036 0.000 0.894 541 N HN 0.539 nan 8.380 nan 0.000 0.548 542 S N -0.300 115.363 115.700 -0.061 0.000 3.009 542 S HA 0.124 4.593 4.470 -0.002 0.000 0.254 542 S C 0.238 174.798 174.600 -0.066 0.000 1.004 542 S CA -0.362 57.791 58.200 -0.078 0.000 1.119 542 S CB 1.034 64.164 63.200 -0.116 0.000 1.075 542 S HN 0.260 nan 8.310 nan 0.000 0.618 543 V N 2.419 122.309 119.914 -0.040 0.000 2.644 543 V HA 0.286 4.405 4.120 -0.002 0.000 0.305 543 V C 1.536 177.620 176.094 -0.017 0.000 1.053 543 V CA 1.599 63.883 62.300 -0.028 0.000 1.186 543 V CB -0.119 31.698 31.823 -0.011 0.000 0.895 543 V HN 0.768 nan 8.190 nan 0.000 0.490 544 G N 3.792 112.574 108.800 -0.029 0.000 2.175 544 G HA2 -0.195 3.763 3.960 -0.002 0.000 0.244 544 G HA3 -0.195 3.763 3.960 -0.002 0.000 0.244 544 G C 0.030 174.867 174.900 -0.105 0.000 0.982 544 G CA -0.020 45.077 45.100 -0.005 0.000 0.641 544 G HN 0.542 nan 8.290 nan 0.000 0.527 545 L N 2.267 123.377 121.223 -0.187 0.000 2.375 545 L HA 0.404 4.743 4.340 -0.002 0.000 0.271 545 L C -1.436 175.159 176.870 -0.459 0.000 1.107 545 L CA -1.909 52.693 54.840 -0.395 0.000 0.806 545 L CB 0.967 42.858 42.059 -0.279 0.000 1.146 545 L HN -0.018 nan 8.230 nan 0.000 0.447 546 P HA 0.145 nan 4.420 nan 0.000 0.272 546 P C -1.018 176.136 177.300 -0.244 0.000 1.230 546 P CA -0.166 62.658 63.100 -0.461 0.000 0.788 546 P CB 1.385 32.758 31.700 -0.545 0.000 0.949 547 V N 0.837 120.658 119.914 -0.155 0.000 2.733 547 V HA 0.587 4.706 4.120 -0.002 0.000 0.306 547 V C 0.255 176.310 176.094 -0.066 0.000 1.084 547 V CA -0.734 61.513 62.300 -0.087 0.000 0.905 547 V CB 1.581 33.354 31.823 -0.084 0.000 1.010 547 V HN 0.829 nan 8.190 nan 0.000 0.424 548 A N 3.872 126.669 122.820 -0.039 0.000 2.326 548 A HA 0.997 5.316 4.320 -0.002 0.000 0.303 548 A C -0.778 176.766 177.584 -0.066 0.000 1.164 548 A CA -0.727 51.281 52.037 -0.047 0.000 0.929 548 A CB 1.796 20.779 19.000 -0.027 0.000 1.363 548 A HN 0.763 nan 8.150 nan 0.000 0.498 549 V N -0.490 119.375 119.914 -0.081 0.000 3.007 549 V HA 0.486 4.605 4.120 -0.002 0.000 0.311 549 V C -0.732 175.302 176.094 -0.099 0.000 1.120 549 V CA -0.509 61.732 62.300 -0.098 0.000 0.980 549 V CB 1.998 33.754 31.823 -0.112 0.000 1.033 549 V HN 1.002 nan 8.190 nan 0.000 0.429 550 Q N 2.197 121.943 119.800 -0.091 0.000 2.312 550 Q HA 0.585 4.924 4.340 -0.002 0.000 0.263 550 Q C -1.581 174.394 176.000 -0.041 0.000 0.995 550 Q CA -0.428 55.329 55.803 -0.076 0.000 0.853 550 Q CB 1.804 30.503 28.738 -0.064 0.000 1.300 550 Q HN 0.804 nan 8.270 nan 0.000 0.448 551 C N 3.253 122.543 119.300 -0.016 0.000 2.417 551 C HA 0.806 5.265 4.460 -0.002 0.000 0.324 551 C C -0.453 174.594 174.990 0.095 0.000 1.240 551 C CA -0.625 58.479 59.018 0.143 0.000 1.632 551 C CB 0.811 28.619 27.740 0.112 0.000 2.241 551 C HN 0.667 nan 8.230 nan 0.000 0.499 552 V N 1.979 121.976 119.914 0.138 0.000 2.914 552 V HA 0.984 5.103 4.120 -0.002 0.000 0.314 552 V C 0.079 176.315 176.094 0.237 0.000 1.084 552 V CA -0.278 62.073 62.300 0.085 0.000 0.963 552 V CB 1.861 33.648 31.823 -0.061 0.000 1.025 552 V HN 1.161 nan 8.190 nan 0.000 0.432 553 A N 2.229 125.134 122.820 0.143 0.000 2.593 553 A HA 0.861 5.180 4.320 -0.002 0.000 0.290 553 A C -1.115 176.198 177.584 -0.451 0.000 1.126 553 A CA -0.749 51.297 52.037 0.015 0.000 0.695 553 A CB 1.171 20.179 19.000 0.013 0.000 1.290 553 A HN 0.737 nan 8.150 nan 0.000 0.414 554 L N 1.053 121.818 121.223 -0.764 0.000 2.473 554 L HA 0.245 4.583 4.340 -0.002 0.000 0.268 554 L C -2.002 174.436 176.870 -0.720 0.000 1.215 554 L CA -1.496 52.642 54.840 -1.170 0.000 0.823 554 L CB 0.225 41.674 42.059 -1.017 0.000 1.099 554 L HN 0.402 nan 8.230 nan 0.000 0.483 555 P HA -0.149 nan 4.420 nan 0.000 0.263 555 P C -0.748 176.339 177.300 -0.354 0.000 1.175 555 P CA 0.596 63.348 63.100 -0.579 0.000 0.761 555 P CB 0.071 31.473 31.700 -0.498 0.000 0.794 556 W N 0.267 121.496 121.300 -0.119 0.000 2.062 556 W HA -0.188 4.470 4.660 -0.002 0.000 0.257 556 W C 0.600 177.057 176.519 -0.102 0.000 1.024 556 W CA 0.045 57.336 57.345 -0.090 0.000 0.471 556 W CB -2.206 27.200 29.460 -0.089 0.000 2.039 556 W HN 0.355 nan 8.180 nan 0.000 1.321 557 Q N 1.286 121.073 119.800 -0.021 0.000 2.375 557 Q HA 0.067 4.406 4.340 -0.002 0.000 0.316 557 Q C 1.670 177.657 176.000 -0.023 0.000 0.927 557 Q CA 0.644 56.426 55.803 -0.035 0.000 1.029 557 Q CB -0.178 28.507 28.738 -0.089 0.000 1.202 557 Q HN 0.489 nan 8.270 nan 0.000 0.431 558 E N 0.534 120.731 120.200 -0.004 0.000 2.152 558 E HA -0.186 4.163 4.350 -0.002 0.000 0.192 558 E C 1.130 177.745 176.600 0.025 0.000 0.983 558 E CA 0.747 57.158 56.400 0.019 0.000 0.818 558 E CB 0.099 29.826 29.700 0.045 0.000 0.758 558 E HN 0.472 nan 8.360 nan 0.000 0.467 559 E N 1.661 121.820 120.200 -0.068 0.000 2.150 559 E HA -0.123 4.225 4.350 -0.002 0.000 0.193 559 E C 2.296 178.939 176.600 0.072 0.000 0.985 559 E CA 0.499 56.825 56.400 -0.124 0.000 0.814 559 E CB -0.580 28.826 29.700 -0.491 0.000 0.752 559 E HN 0.258 nan 8.360 nan 0.000 0.466 560 L N 0.861 122.114 121.223 0.050 0.000 2.109 560 L HA -0.086 4.252 4.340 -0.002 0.000 0.207 560 L C 2.593 179.556 176.870 0.156 0.000 1.086 560 L CA 1.315 56.210 54.840 0.091 0.000 0.760 560 L CB -0.362 41.725 42.059 0.047 0.000 0.910 560 L HN 0.329 nan 8.230 nan 0.000 0.437 561 C N 0.383 119.767 119.300 0.139 0.000 2.432 561 C HA -0.171 4.288 4.460 -0.002 0.000 0.277 561 C C 2.794 177.914 174.990 0.217 0.000 1.249 561 C CA 0.662 59.791 59.018 0.184 0.000 1.725 561 C CB -0.995 26.812 27.740 0.112 0.000 2.028 561 C HN 0.547 nan 8.230 nan 0.000 0.477 562 L N 0.880 122.226 121.223 0.205 0.000 2.079 562 L HA -0.140 4.199 4.340 -0.002 0.000 0.210 562 L C 3.063 180.177 176.870 0.407 0.000 1.081 562 L CA 1.746 56.752 54.840 0.278 0.000 0.752 562 L CB -0.883 41.318 42.059 0.236 0.000 0.896 562 L HN 0.409 nan 8.230 nan 0.000 0.433 563 R N 0.335 121.069 120.500 0.389 0.000 2.096 563 R HA -0.217 4.122 4.340 -0.002 0.000 0.235 563 R C 2.284 178.706 176.300 0.203 0.000 1.127 563 R CA 1.736 57.969 56.100 0.222 0.000 0.968 563 R CB -0.548 29.843 30.300 0.153 0.000 0.861 563 R HN 0.370 nan 8.270 nan 0.000 0.440 564 F N 0.636 120.619 119.950 0.055 0.000 2.163 564 F HA -0.116 4.410 4.527 -0.002 0.000 0.297 564 F C 2.319 178.118 175.800 -0.002 0.000 1.094 564 F CA 1.053 59.051 58.000 -0.003 0.000 1.290 564 F CB -0.022 38.972 39.000 -0.010 0.000 1.017 564 F HN -0.061 nan 8.300 nan 0.000 0.483 565 M N 0.088 119.649 119.600 -0.064 0.000 2.108 565 M HA -0.244 4.235 4.480 -0.002 0.000 0.261 565 M C 2.326 178.569 176.300 -0.094 0.000 1.066 565 M CA 1.835 57.041 55.300 -0.157 0.000 1.107 565 M CB -0.523 32.064 32.600 -0.023 0.000 1.356 565 M HN 0.098 nan 8.290 nan 0.000 0.406 566 R N 0.406 120.922 120.500 0.026 0.000 2.083 566 R HA -0.233 4.105 4.340 -0.002 0.000 0.237 566 R C 2.011 178.291 176.300 -0.034 0.000 1.137 566 R CA 2.067 58.182 56.100 0.026 0.000 0.951 566 R CB -0.143 30.177 30.300 0.032 0.000 0.851 566 R HN 0.243 nan 8.270 nan 0.000 0.434 567 E N -0.317 119.853 120.200 -0.049 0.000 2.077 567 E HA -0.126 4.223 4.350 -0.002 0.000 0.193 567 E C 1.799 178.330 176.600 -0.115 0.000 0.989 567 E CA 1.407 57.780 56.400 -0.046 0.000 0.800 567 E CB -0.043 29.655 29.700 -0.003 0.000 0.746 567 E HN 0.192 nan 8.360 nan 0.000 0.452 568 V N 0.700 120.466 119.914 -0.245 0.000 2.427 568 V HA -0.196 3.922 4.120 -0.002 0.000 0.248 568 V C 2.354 178.359 176.094 -0.148 0.000 1.051 568 V CA 2.057 64.200 62.300 -0.263 0.000 1.048 568 V CB -0.448 31.103 31.823 -0.453 0.000 0.666 568 V HN 0.383 nan 8.190 nan 0.000 0.456 569 E N -0.439 119.693 120.200 -0.113 0.000 2.051 569 E HA -0.277 4.072 4.350 -0.002 0.000 0.192 569 E C 2.356 178.935 176.600 -0.035 0.000 0.991 569 E CA 1.350 57.716 56.400 -0.057 0.000 0.799 569 E CB -0.139 29.545 29.700 -0.026 0.000 0.748 569 E HN 0.491 nan 8.360 nan 0.000 0.449 570 Q N 0.494 120.276 119.800 -0.029 0.000 2.061 570 Q HA -0.174 4.165 4.340 -0.002 0.000 0.204 570 Q C 2.398 178.393 176.000 -0.010 0.000 0.984 570 Q CA 1.400 57.197 55.803 -0.010 0.000 0.846 570 Q CB -0.189 28.548 28.738 -0.002 0.000 0.902 570 Q HN 0.398 nan 8.270 nan 0.000 0.421 571 L N -0.408 120.803 121.223 -0.019 0.000 2.056 571 L HA -0.169 4.169 4.340 -0.002 0.000 0.207 571 L C 2.509 179.367 176.870 -0.020 0.000 1.078 571 L CA 0.795 55.627 54.840 -0.013 0.000 0.749 571 L CB -0.348 41.702 42.059 -0.014 0.000 0.901 571 L HN 0.230 nan 8.230 nan 0.000 0.433 572 M N -0.938 118.640 119.600 -0.035 0.000 2.357 572 M HA 0.047 4.525 4.480 -0.002 0.000 0.266 572 M C 0.884 177.172 176.300 -0.020 0.000 1.095 572 M CA 0.938 56.218 55.300 -0.033 0.000 1.156 572 M CB -0.604 31.965 32.600 -0.052 0.000 1.365 572 M HN 0.265 nan 8.290 nan 0.000 0.447 573 T N -0.236 114.309 114.554 -0.016 0.000 3.226 573 T HA 0.541 4.890 4.350 -0.002 0.000 0.378 573 T C -2.621 172.082 174.700 0.006 0.000 1.380 573 T CA -1.313 60.787 62.100 -0.001 0.000 1.396 573 T CB 1.192 70.064 68.868 0.005 0.000 1.044 573 T HN -0.007 nan 8.240 nan 0.000 0.586 574 P HA 0.000 nan 4.420 nan 0.000 0.216 574 P CA 0.000 63.107 63.100 0.011 0.000 0.800 574 P CB 0.000 31.705 31.700 0.009 0.000 0.726